A0A077ZHQ3_TRITR Loading...

Zf-C3Hc3H domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHQ3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 778 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.1	Very low	27	Very low	233 Å²	233	149.8 Å²	149.8	100%	1.148	84%	0.844	S	S	*	*				0	137.8	0	-65.1	-161.9	83.8	0	0	107.8
2	P	27.4	Very low	27.3	Very low	125 Å²	125	149.5 Å²	149.5	81%	0.812	84%	0.839	S	S	*	*			trans	-70.8	151.5	-172.4	29.6	-33.3	0	0	0	112.1
3	V	25.7	Very low	27.6	Very low	126 Å²	126	148.5 Å²	148.5	76%	0.764	83%	0.831	S	S	*	*			trans	-70	119.5	-173.9	178	0	0	0	0	109.8
4	L	24.5	Very low	28.1	Very low	165 Å²	165	146.6 Å²	146.6	86%	0.864	83%	0.825	S	S	*	*			trans	-94.2	101.6	161.4	-75.9	172.9	0	0	0	107.4	L6	L4-L6 PolarHBondContact O-N 2.97Å
5	S	22.5	Very low	28.4	Very low	101 Å²	101	145.1 Å²	145.1	71%	0.706	82%	0.82	S	S	*	*			trans	-70	111.6	170.3	-58.2	0	0	0	0	109
6	L	27.6	Very low	28.6	Very low	160 Å²	160	150.4 Å²	150.4	84%	0.838	82%	0.823	S	S	*	*			trans	-118	97.6	163	-87.5	162.8	0	0	0	107	L4 A8	L4-L6 PolarHBondContact O-N 2.97Å; L6-A8 PolarHBondContact O-N 3.02Å
7	N	24.4	Very low	28.6	Very low	162 Å²	162	148.1 Å²	148.1	87%	0.866	82%	0.82	S	S	*	*			trans	-67	112	159.2	-69.7	-18.2	0	0	0	106.7
8	A	29.8	Very low	28.9	Very low	92 Å²	92	148.1 Å²	148.1	76%	0.76	82%	0.817	S	S	*	*			trans	-140.1	121.7	162.9	0	0	0	0	0	107.1	L6	L6-A8 PolarHBondContact O-N 3.02Å
9	S	27.7	Very low	28.9	Very low	115 Å²	115	150.3 Å²	150.3	80%	0.804	82%	0.821	S	S	*	*			trans	-63.3	154.1	-162	-47.9	0	0	0	0	114.1	E11	S9-E11 PolarHBondContact O-N 2.85Å
10	E	28.5	Very low	28.9	Very low	191 Å²	191	151.5 Å²	151.5	89%	0.893	82%	0.82	S	S	*	*			trans	-58.2	110.7	169.8	-62.4	166	157.4	0	0	109.7
11	E	32.1	Very low	28.9	Very low	178 Å²	178	149.5 Å²	149.5	83%	0.832	82%	0.815	S	S	*	*			trans	-109.3	104.3	162.5	-76.4	-172.2	166.8	0	0	108.3	S9 D13	S9-E11 PolarHBondContact O-N 2.85Å; E11-D13 VanDerWaalsContact C-N 3.35Å; E11-D13 PolarHBondContact O-N 2.83Å
12	D	30.3	Very low	28.9	Very low	146 Å²	146	150.5 Å²	150.5	78%	0.781	81%	0.806	S	S	*	*			trans	-69.8	79.1	174	-92.1	-35.4	0	0	0	111	T14	D12-T14 VanDerWaalsContact C-N 3.3Å; D12-T14 PolarHBondContact O-N 2.88Å; D12-T14 VanDerWaalsContact O-N 3.1Å
13	D	31.1	Very low	29.1	Very low	137 Å²	137	153.6 Å²	153.6	73%	0.733	81%	0.807	S	S	*	*			trans	-85.7	75.9	168.4	-96.4	-18.6	0	0	0	110.9	E11 T15	E11-D13 VanDerWaalsContact C-N 3.35Å; E11-D13 PolarHBondContact O-N 2.83Å; D13-T15 PolarHBondContact O-N 2.88Å
14	T	34.5	Very low	29.2	Very low	122 Å²	122	153.6 Å²	153.6	75%	0.748	81%	0.809	S	S	*	*			trans	-75.2	70.3	164.1	46.7	0	0	0	0	110.2	D12 R16	D12-T14 VanDerWaalsContact C-N 3.3Å; D12-T14 PolarHBondContact O-N 2.88Å; D12-T14 VanDerWaalsContact O-N 3.1Å; T14-R16 PolarHBondContact O-N 3.02Å
15	T	33.5	Very low	29.2	Very low	123 Å²	123	153.5 Å²	153.5	76%	0.755	81%	0.808	S	S	*	*			trans	-73.2	93.8	171.2	33.8	0	0	0	0	109.9	D13 S17	D13-T15 PolarHBondContact O-N 2.88Å; T15-S17 PolarHBondContact O-N 3.48Å; T15-S17 VanDerWaalsContact O-N 3.12Å
16	R	30.7	Very low	29.6	Very low	230 Å²	230	154.7 Å²	154.7	87%	0.868	81%	0.807	S	S	*	*			trans	-53.7	111.3	167.4	-79.9	177.2	169.4	163.9	-2.6	109.6	T14 I18	T14-R16 PolarHBondContact O-N 3.02Å; R16-I18 PolarHBondContact O-N 3.03Å
17	S	29.4	Very low	29.7	Very low	111 Å²	111	152 Å²	152	78%	0.776	81%	0.807	S	S	*	*			trans	-68.7	94.7	167	53.9	0	0	0	0	109.3	T15 E19	T15-S17 PolarHBondContact O-N 3.48Å; T15-S17 VanDerWaalsContact O-N 3.12Å; S17-E19 PolarHBondContact O-N 3.2Å
18	I	33	Very low	30.1	Very low	149 Å²	149	150.9 Å²	150.9	76%	0.764	80%	0.801	S	S	*	*			trans	-78	105.2	166.4	-63.3	172.8	0	0	0	106.2	R16 E20	R16-I18 PolarHBondContact O-N 3.03Å; I18-E20 PolarHBondContact O-N 3.4Å; I18-E20 VanDerWaalsContact O-N 3.08Å
19	E	29	Very low	29.9	Very low	189 Å²	189	149.6 Å²	149.6	88%	0.883	80%	0.798	S	S	*	*			trans	-67.6	97.1	170.3	-76.8	-177.1	143.3	0	0	108.9	S17	S17-E19 PolarHBondContact O-N 3.2Å
20	E	28.8	Very low	29.9	Very low	174 Å²	174	152 Å²	152	81%	0.813	80%	0.798	S	S	*	*			trans	-90.2	122.6	172.9	-139.2	174.5	-167.3	0	0	110.1	I18 R22	I18-E20 PolarHBondContact O-N 3.4Å; I18-E20 VanDerWaalsContact O-N 3.08Å; E20-R22 PolarHBondContact O-N 3.48Å
21	P	30.3	Very low	29.9	Very low	110 Å²	110	152.6 Å²	152.6	71%	0.714	80%	0.798	S	S	*	*			trans	-71.8	126.2	-172.6	24.7	-31	0	0	0	112.1	K23	P21-K23 PolarHBondContact O-N 3.45Å; P21-K23 VanDerWaalsContact O-N 3.07Å
22	R	26.4	Very low	29.6	Very low	254 Å²	254	148 Å²	148	96%	0.958	80%	0.798	S	S	*	*			trans	-54.2	108.3	176.8	-67.4	178.7	175	127.6	0.7	111	E20	E20-R22 PolarHBondContact O-N 3.48Å
23	K	31.2	Very low	29.3	Very low	191 Å²	191	152.3 Å²	152.3	83%	0.83	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-79	135.5	169.5	-73.2	179.6	-179.3	174.4	0	110.4	P21	P21-K23 PolarHBondContact O-N 3.45Å; P21-K23 VanDerWaalsContact O-N 3.07Å
24	P	27.3	Very low	29	Very low	125 Å²	125	156.3 Å²	156.3	81%	0.812	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-72.4	129.1	-176.2	27.2	-32.3	0	0	0	111.8
25	I	26	Very low	28.5	Very low	164 Å²	164	158.2 Å²	158.2	84%	0.841	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-72.3	123.7	175.4	-65.5	168.2	0	0	0	108.2
26	N	29.2	Very low	27.9	Very low	125 Å²	125	161.4 Å²	161.4	67%	0.668	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-78.5	156.1	175.7	61.8	5.7	0	0	0	111.4	N28	N26-N28 PolarHBondContact O-N 3.2Å
27	A	30.4	Very low	27.7	Very low	103 Å²	103	158.3 Å²	158.3	85%	0.851	82%	0.817	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	2.4	-160.3	0	0	0	0	0	116.9
28	N	33.3	Very low	27.5	Very low	139 Å²	139	157.4 Å²	157.4	74%	0.743	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.3	8.7	-172.1	-74.2	26.3	0	0	0	114.9	N26 M30	N26-N28 PolarHBondContact O-N 3.2Å; N28-M30 PolarHBondContact O-N 2.94Å
29	G	25.7	Very low	27.1	Very low	66 Å²	66	158.6 Å²	158.6	68%	0.68	81%	0.813	S	S	*	*			trans	55.5	21.6	161	0	0	0	0	0	116.5
30	M	27.8	Very low	27	Very low	164 Å²	164	158 Å²	158	81%	0.808	81%	0.81	S	S	*	*			trans	-114.3	122.9	-178.1	-80.7	-161.6	57	0	0	111.4	N28 G32	N28-M30 PolarHBondContact O-N 2.94Å; M30-G32 PolarHBondContact O-N 3.15Å
31	F	28.2	Very low	26.8	Very low	205 Å²	205	154.9 Å²	154.9	90%	0.899	81%	0.808	S	S	*	*			trans	-66.5	110.5	172.8	-73.7	-91.3	0	0	0	109.8	R33	F31-R33 PolarHBondContact O-N 3Å; F31-R33 VanDerWaalsContact O-N 3.14Å
32	G	26.3	Very low	26.7	Very low	81 Å²	81	158.5 Å²	158.5	84%	0.835	81%	0.812	S	S	*	*			trans	-66.3	108	167.1	0	0	0	0	0	109.5	M30	M30-G32 PolarHBondContact O-N 3.15Å
33	R	22.8	Very low	26.5	Very low	237 Å²	237	151.7 Å²	151.7	89%	0.894	80%	0.803	S	S	*	*			trans	-68.9	132	158.8	-71.1	-176.5	-171.3	-171.4	1.9	107.5	F31	F31-R33 PolarHBondContact O-N 3Å; F31-R33 VanDerWaalsContact O-N 3.14Å
34	Y	25.4	Very low	26.1	Very low	220 Å²	220	151.6 Å²	151.6	86%	0.863	80%	0.803	S	S	*	*			trans	-144.7	149.5	151.1	-130.8	-90.8	0	0	0	110.3
35	E	23.2	Very low	26	Very low	163 Å²	163	157.2 Å²	157.2	76%	0.762	81%	0.808	S	S	*	*			trans	-81.3	160.1	-151.8	-65.9	169.7	142.6	0	0	114.1	D37	E35-D37 PolarHBondContact O-N 3.4Å
36	H	22	Very low	25.9	Very low	189 Å²	189	154.1 Å²	154.1	88%	0.875	80%	0.801	S	S	*	*			trans	-59.9	121.9	170.4	-94.7	-96.1	0	0	0	110.7
37	D	26.6	Very low	25.8	Very low	165 Å²	165	153.8 Å²	153.8	88%	0.882	81%	0.809	S	S	*	*			trans	-113.5	129.1	152.6	-88.3	-36.4	0	0	0	110.3	E35	E35-D37 PolarHBondContact O-N 3.4Å
38	S	24.2	Very low	25.5	Very low	93 Å²	93	154.5 Å²	154.5	65%	0.65	80%	0.803	S	S	*	*			trans	-90.5	154.5	-169.6	51.6	0	0	0	0	112.2
39	H	24.9	Very low	25.1	Very low	173 Å²	173	155 Å²	155	80%	0.801	81%	0.806	S	S	*	*			trans	70.4	108.6	155.5	-82.2	-121	0	0	0	118.2
40	E	27.6	Very low	25	Very low	177 Å²	177	156.7 Å²	156.7	83%	0.827	81%	0.807	S	S	*	*				-155.6	109.6	126.4	-112.9	176.6	-164.2	0	0	110.5
41	S	24.3	Very low	24.8	Very low	109 Å²	109	156.8 Å²	156.8	76%	0.762	81%	0.81	S	S	*	*			trans	-89.9	110.2	175.1	45	0	0	0	0	109.2
42	F	27.6	Very low	24.8	Very low	185 Å²	185	157 Å²	157	81%	0.811	81%	0.811	S	S	*	*			trans	-111.1	119.9	169.1	-96.4	-85.6	0	0	0	111.4
43	S	23.6	Very low	24.7	Very low	111 Å²	111	158.7 Å²	158.7	78%	0.776	81%	0.807	S	S	*	*			trans	-78.6	143.7	-174.9	48.2	0	0	0	0	113.6
44	F	21.7	Very low	24.7	Very low	189 Å²	189	156.2 Å²	156.2	83%	0.829	81%	0.805	S	S	*	*			trans	-44.4	138.7	167.3	-94.9	-109.7	0	0	0	114.9
45	R	25.5	Very low	24.8	Very low	243 Å²	243	152.5 Å²	152.5	92%	0.917	81%	0.806	S	S	*	*			trans	-142.3	103.6	147.5	-124.8	179.5	-175.2	-176.3	1.7	110.7
46	S	23	Very low	24.8	Very low	99 Å²	99	151.9 Å²	151.9	69%	0.692	81%	0.808	S	S	*	*			trans	-63.7	133.3	167.1	-56.1	0	0	0	0	110
47	S	27.1	Very low	24.9	Very low	119 Å²	119	154.5 Å²	154.5	83%	0.832	81%	0.81	S	S	*	*			trans	-128.6	112.6	166.3	-69.2	0	0	0	0	108.8
48	T	24	Very low	24.8	Very low	117 Å²	117	150 Å²	150	72%	0.718	80%	0.802	S	S	*	*			trans	-89.1	136.3	172.8	48.2	0	0	0	0	109.3
49	N	25.8	Very low	24.9	Very low	150 Å²	150	154.7 Å²	154.7	80%	0.802	81%	0.814	S	S	*	*			trans	157.6	105.7	131.3	-80	-19.6	0	0	0	112.7
50	S	24.3	Very low	25	Very low	102 Å²	102	152.4 Å²	152.4	71%	0.713	81%	0.812	S	S	*	*				38.6	125.9	116.9	-69.4	0	0	0	0	121.9
51	L	23	Very low	25	Very low	166 Å²	166	151.8 Å²	151.8	87%	0.869	81%	0.814	S	S	*	*			trans	76.6	110.2	137.1	-61.3	165.8	0	0	0	118.7
52	K	27.7	Very low	25.2	Very low	209 Å²	209	155 Å²	155	91%	0.909	82%	0.817	S	S	*	*			trans	-135.6	124.3	157.2	-89.2	-176.3	176.4	178.2	0	109.9
53	P	25.4	Very low	25.1	Very low	117 Å²	117	154.4 Å²	154.4	76%	0.76	82%	0.822	S	S	*	*			trans	-97.9	144.2	167.2	34.7	-26.7	0	0	0	112.1
54	E	22.2	Very low	25.1	Very low	184 Å²	184	153.3 Å²	153.3	86%	0.86	82%	0.819	S	S	*	*			trans	26.4	126.5	148.9	-57.1	-171.7	158.5	0	0	121.3
55	T	26.5	Very low	25.3	Very low	142 Å²	142	150.5 Å²	150.5	87%	0.871	82%	0.823	S	S	*	*			trans	-168.1	109.7	132.9	12	0	0	0	0	112.4
56	N	23.3	Very low	25.2	Very low	150 Å²	150	144.9 Å²	144.9	80%	0.802	82%	0.821	S	S	*	*			trans	26.8	139.1	135.8	-92.3	-28.7	0	0	0	123.9
57	R	24.7	Very low	25.4	Very low	244 Å²	244	145.7 Å²	145.7	92%	0.921	83%	0.827	S	S	*	*			trans	89.8	123.4	146.3	-74.1	175.8	173.1	-172.6	-2	119.5
58	G	24.1	Very low	25.5	Very low	70 Å²	70	144.9 Å²	144.9	72%	0.722	82%	0.821	S	S	*	*			trans	129.3	108.3	133	0	0	0	0	0	116.5
59	E	26	Very low	25.7	Very low	193 Å²	193	146.8 Å²	146.8	90%	0.902	83%	0.827	S	S	*	*			trans	70.3	102.5	146.4	-62.3	-177.1	150.5	0	0	119.4
60	V	28.6	Very low	25.6	Very low	124 Å²	124	146.2 Å²	146.2	75%	0.752	83%	0.829	S	S	*	*			trans	-122.4	99.8	160.6	178.9	0	0	0	0	107.6	Q62	V60-Q62 HydrophobicContact CG1-CG 4.03Å
61	N	26.9	Very low	25.7	Very low	165 Å²	165	150.7 Å²	150.7	88%	0.882	84%	0.835	S	S	*	*			trans	-88.1	114.9	165.8	-96.7	-27.5	0	0	0	108.7
62	Q	27.6	Very low	25.8	Very low	176 Å²	176	148.4 Å²	148.4	82%	0.822	83%	0.828	S	S	*	*			trans	-91.2	131.5	177.4	-64.8	-177	-2	0	0	109.8	V60	V60-Q62 HydrophobicContact CG1-CG 4.03Å
63	L	25.9	Very low	25.4	Very low	172 Å²	172	150 Å²	150	90%	0.901	83%	0.829	S	S	*	*			trans	-116.2	118.9	165.8	-116.3	108.6	0	0	0	110.2
64	A	22.9	Very low	25.3	Very low	88 Å²	88	150.5 Å²	150.5	73%	0.727	83%	0.83	S	S	*	*			trans	33.2	115.3	143.7	0	0	0	0	0	119.9
65	S	27.3	Very low	25.5	Very low	131 Å²	131	150.8 Å²	150.8	92%	0.916	83%	0.831	S	S	*	*			trans	-152.1	116.5	137.9	-73.7	0	0	0	0	109.6
66	S	23.6	Very low	25.4	Very low	125 Å²	125	149 Å²	149	87%	0.874	82%	0.822	S	S	*	*			trans	-82.4	134	-174.5	49.3	0	0	0	0	112.6
67	S	27.3	Very low	25.4	Very low	115 Å²	115	150.2 Å²	150.2	80%	0.804	83%	0.828	S	S	*	*			trans	-138.1	123.8	164	173.2	0	0	0	0	110.1
68	S	29.1	Very low	25.3	Very low	102 Å²	102	145 Å²	145	71%	0.713	82%	0.823	S	S	*	*			trans	-55.5	122.3	177.8	46.6	0	0	0	0	113.3
69	N	28.1	Very low	25.5	Very low	158 Å²	158	148.2 Å²	148.2	85%	0.845	83%	0.828	S	S	*	*				63.6	84.7	86	-75.4	-18.3	0	0	0	116
70	V	24.2	Very low	25.4	Very low	138 Å²	138	144.5 Å²	144.5	84%	0.836	82%	0.824	S	S	*	*			trans	-113	117.6	152.3	176.2	0	0	0	0	107.5
71	K	25.9	Very low	25.2	Very low	195 Å²	195	144.6 Å²	144.6	85%	0.848	83%	0.827	S	S	*	*			trans	-76.8	114.7	-174.4	-83.4	169.6	171.5	172.7	0	110.9
72	T	24.1	Very low	25.3	Very low	119 Å²	119	146.7 Å²	146.7	73%	0.73	83%	0.828	S	S	*	*			trans	-102	119.1	165.3	-34.3	0	0	0	0	108
73	W	20.7	Very low	25.3	Very low	242 Å²	242	145.8 Å²	145.8	92%	0.917	83%	0.829	S	S	*	*			trans	-88.5	109.7	172.2	-97.3	40.4	0	0	0	109.1
74	T	23.3	Very low	25.1	Very low	127 Å²	127	145.3 Å²	145.3	78%	0.779	83%	0.827	S	S	*	*			trans	-131.4	115.5	165.1	29.7	0	0	0	0	107
75	Q	24.9	Very low	25.3	Very low	190 Å²	190	146.3 Å²	146.3	89%	0.888	83%	0.829	S	S	*	*			trans	-103.3	144.4	169.5	-81.5	-126.6	-31.4	0	0	110.6
76	P	25.1	Very low	25.1	Very low	106 Å²	106	146.2 Å²	146.2	69%	0.688	82%	0.822	S	S	*	*			trans	-99.5	144.5	-171.4	37.4	-29.4	0	0	0	111.8
77	L	23.6	Very low	25.2	Very low	174 Å²	174	146.6 Å²	146.6	91%	0.911	82%	0.819	S	S	*	*			trans	-122.9	105.9	160.4	-127.4	80.6	0	0	0	108.2
78	V	23.1	Very low	25.1	Very low	135 Å²	135	148.9 Å²	148.9	82%	0.818	82%	0.817	S	S	*	*			trans	-123.7	106.6	167	172.5	0	0	0	0	105.9
79	T	28.5	Very low	25	Very low	137 Å²	137	149.7 Å²	149.7	84%	0.84	82%	0.82	S	S	*	*			trans	-148.1	150.8	153	46.6	0	0	0	0	109.4
80	S	23.9	Very low	24.9	Very low	115 Å²	115	147.9 Å²	147.9	80%	0.804	82%	0.82	S	S	*	*			trans	-94.6	169.2	-144.3	53.5	0	0	0	0	115
81	P	24.3	Very low	24.9	Very low	127 Å²	127	145.5 Å²	145.5	83%	0.825	81%	0.814	S	S	*	*			trans	-87.8	138.3	-170.5	34.1	-29.7	0	0	0	112.1
82	K	29.1	Very low	25.1	Very low	208 Å²	208	142.4 Å²	142.4	90%	0.904	81%	0.814	S	S	*	*			trans	-128.3	126.5	164.1	-85.9	-175.6	176.8	178.4	0	110.9
83	N	26.5	Very low	25.3	Very low	157 Å²	157	145 Å²	145	84%	0.84	82%	0.822	S	S	*	*			trans	-18.6	131	173.4	-76.3	-41.9	0	0	0	120.6
84	L	21.7	Very low	25.5	Very low	162 Å²	162	137.7 Å²	137.7	85%	0.848	81%	0.808	S	S	*	*				14.9	117.9	127.5	-111.6	76.5	0	0	0	118.3
85	S	27.2	Very low	25.5	Very low	110 Å²	110	138.8 Å²	138.8	77%	0.769	81%	0.81	S	S	*	*			trans	-148.2	120.3	136.3	58.5	0	0	0	0	110.8
86	T	22.1	Very low	25.7	Very low	128 Å²	128	139.5 Å²	139.5	79%	0.785	81%	0.813	S	S	*	*			trans	-71.8	118.5	172.2	-60.2	0	0	0	0	108.9
87	V	26.2	Very low	25.6	Very low	133 Å²	133	143.4 Å²	143.4	81%	0.806	82%	0.819	S	S	*	*			trans	-127.2	116.4	166.1	178.9	0	0	0	0	107.2
88	Q	25.3	Very low	25.8	Very low	164 Å²	164	142.1 Å²	142.1	77%	0.766	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-70.8	153.6	178.8	-86.5	-137.6	-48	0	0	112.3
89	P	26.9	Very low	25.9	Very low	118 Å²	118	144.1 Å²	144.1	77%	0.766	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-83.3	130.1	-176	31.5	-28.3	0	0	0	112.1
90	S	26.1	Very low	25.5	Very low	121 Å²	121	142.7 Å²	142.7	85%	0.846	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-73.1	143.4	176.9	-36.9	0	0	0	0	112.1
91	A	25.1	Very low	25.6	Very low	87 Å²	87	142.6 Å²	142.6	72%	0.719	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-62.3	157.5	-177.8	0	0	0	0	0	115.4
92	P	29.2	Very low	25.7	Very low	131 Å²	131	145.7 Å²	145.7	85%	0.851	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-83.6	143	179.5	33.4	-32.4	0	0	0	112.7
93	L	28.2	Very low	25.7	Very low	172 Å²	172	144.9 Å²	144.9	90%	0.901	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-87.3	151.9	173.8	-103.5	102.3	0	0	0	112.6
94	S	24.6	Very low	25.6	Very low	89 Å²	89	142.1 Å²	142.1	62%	0.622	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-62.1	151.1	-173.7	49.1	0	0	0	0	118.7
95	D	24.5	Very low	25.7	Very low	150 Å²	150	140.5 Å²	140.5	80%	0.802	81%	0.809	S	S	*	*			trans	43.5	108.8	132.9	-57.6	-42	0	0	0	120.4
96	E	29	Very low	25.7	Very low	206 Å²	206	140.9 Å²	140.9	96%	0.963	81%	0.81	S	S	*	*			trans	-138.1	141	135.4	-92.9	-166	146.3	0	0	111.8
97	K	22.1	Very low	25.7	Very low	188 Å²	188	142.1 Å²	142.1	82%	0.817	81%	0.81	S	S	*	*			trans	-113.3	116.7	-154.8	173.6	-175.6	-177.6	-177.4	0	108.1
98	V	28.4	Very low	25.7	Very low	147 Å²	147	141.5 Å²	141.5	89%	0.891	81%	0.806	S	S	*	*			trans	-121	124.4	167.4	-178.5	0	0	0	0	109.5
99	K	25.2	Very low	25.6	Very low	177 Å²	177	141 Å²	141	77%	0.77	81%	0.808	S	S	*	*			trans	-69.6	138.1	-175.2	-87.4	172.3	167.7	177.5	0	113
100	S	20.9	Very low	25.6	Very low	106 Å²	106	141.1 Å²	141.1	74%	0.741	81%	0.807	S	S	*	*			trans	-10.7	133.9	143.6	56.1	0	0	0	0	118.9
101	S	25.5	Very low	25.5	Very low	113 Å²	113	141 Å²	141	79%	0.79	80%	0.803	S	S	*	*			trans	-149	107.2	139.5	-166.7	0	0	0	0	108.7
102	E	26.6	Very low	25.4	Very low	192 Å²	192	143.7 Å²	143.7	90%	0.897	81%	0.81	S	S	*	*			trans	-81.3	127.2	172.3	-66.9	171.1	147.4	0	0	108.4
103	Q	28.5	Very low	25.2	Very low	192 Å²	192	142 Å²	142	90%	0.897	81%	0.807	S	S	*	*			trans	-127	125.8	167	-104.4	179	-9.8	0	0	109.6
104	A	25.2	Very low	25.1	Very low	99 Å²	99	139.8 Å²	139.8	82%	0.818	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-75.6	151	-166.8	0	0	0	0	0	114.2
105	T	23.1	Very low	24.9	Very low	127 Å²	127	139.2 Å²	139.2	78%	0.779	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-61.4	135.3	169.8	42.8	0	0	0	0	113.2
106	P	26	Very low	25.1	Very low	119 Å²	119	141 Å²	141	77%	0.773	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-93.6	120.8	173.1	33.7	-26.7	0	0	0	111.1
107	I	22.1	Very low	24.7	Very low	154 Å²	154	140.8 Å²	140.8	79%	0.79	81%	0.814	S	S	*	*			trans	-101.5	113	161.7	-62.4	171.7	0	0	0	105.5
108	V	26.9	Very low	24.9	Very low	119 Å²	119	139.2 Å²	139.2	72%	0.721	81%	0.813	S	S	*	*			trans	-118.3	103	175.9	174.9	0	0	0	0	108.4	V110	V108-V110 HydrophobicContact CG1-CG2 3.85Å
109	N	23.3	Very low	24.7	Very low	153 Å²	153	138.4 Å²	138.4	82%	0.818	81%	0.808	S	S	*	*			trans	-77	130.5	161.5	-86.6	-21	0	0	0	108.6
110	V	26.5	Very low	24.4	Very low	122 Å²	122	135 Å²	135	74%	0.739	81%	0.813	S	S	*	*			trans	-127.2	134.5	164.7	179	0	0	0	0	109.3	V108	V108-V110 HydrophobicContact CG1-CG2 3.85Å
111	P	24.5	Very low	24.8	Very low	119 Å²	119	136 Å²	136	77%	0.773	82%	0.82	S	S	*	*			trans	-97	159	-167.4	9.7	13	0	0	0	113.5
112	V	22.5	Very low	24.6	Very low	143 Å²	143	142 Å²	142	87%	0.867	83%	0.826	S	S	*	*			trans	-68	133.6	172.7	170.3	0	0	0	0	111.5
113	A	26.3	Very low	24.5	Very low	95 Å²	95	137 Å²	137	79%	0.785	82%	0.817	S	S	*	*			trans	-139.2	133.6	160.3	0	0	0	0	0	110.2
114	P	24.8	Very low	24.8	Very low	125 Å²	125	132.9 Å²	132.9	81%	0.812	81%	0.807	S	S	*	*			trans	-102.4	153.7	-174	37.7	-31.5	0	0	0	113.8
115	G	21.9	Very low	24.9	Very low	77 Å²	77	135.1 Å²	135.1	79%	0.794	81%	0.805	S	S	*	*			trans	91.9	94.7	143.6	0	0	0	0	0	117.7
116	Q	27.2	Very low	25	Very low	189 Å²	189	136 Å²	136	88%	0.883	81%	0.81	S	S	*	*			trans	-137.5	114.8	148	-74.1	-165.8	-44.3	0	0	110.3
117	Q	22	Very low	24.8	Very low	201 Å²	201	134.8 Å²	134.8	94%	0.939	81%	0.81	S	S	*	*			trans	-74.5	125.2	167.4	-72.3	173.6	-32.4	0	0	108.5
118	I	26.4	Very low	25.1	Very low	154 Å²	154	133.9 Å²	133.9	79%	0.79	81%	0.812	S	S	*	*			trans	-129.9	140.3	161.5	-58.9	-179.4	0	0	0	108.7
119	T	23.3	Very low	25.1	Very low	130 Å²	130	133.6 Å²	133.6	80%	0.798	82%	0.815	S	S	*	*			trans	-76.4	158.7	-156.7	45	0	0	0	0	115.8
120	A	19.6	Very low	25.2	Very low	105 Å²	105	131.7 Å²	131.7	87%	0.868	81%	0.814	S	S	*	*			trans	-49.9	139.4	174	0	0	0	0	0	115.3
121	S	29	Very low	25.3	Very low	128 Å²	128	132 Å²	132	90%	0.895	82%	0.819	S	S	*	*			trans	-137.4	158.3	153.9	59	0	0	0	0	109.1
122	R	21.8	Very low	25.4	Very low	240 Å²	240	131.4 Å²	131.4	91%	0.906	82%	0.817	S	S	*	*			trans	-119.3	137.5	-135.9	173.1	-178.4	177.6	177.4	-0.5	111.1
123	A	24	Very low	25.7	Very low	86 Å²	86	132.1 Å²	132.1	71%	0.711	82%	0.821	S	S	*	*			trans	69.4	160.7	149.6	0	0	0	0	0	120.1
124	P	35.3	Very low	25.9	Very low	105 Å²	105	131.8 Å²	131.8	68%	0.682	82%	0.819	S	S	*	*			cis	-141	166.1	-30.9	33.9	-14.4	0	0	0	116.5
125	N	26.2	Very low	25.9	Very low	147 Å²	147	134.5 Å²	134.5	79%	0.786	82%	0.82	S	S	*	*			trans	54.1	103.7	139.6	-60.3	-16.4	0	0	0	121.3
126	V	24.8	Very low	26.2	Very low	144 Å²	144	139 Å²	139	87%	0.873	83%	0.826	S	S	*	*			trans	-129.5	100	136.4	-179.7	0	0	0	0	107.4
127	A	22.9	Very low	26	Very low	95 Å²	95	137.7 Å²	137.7	79%	0.785	82%	0.824	S	S	*	*			trans	-117	117.3	166.4	0	0	0	0	0	106.3
128	T	28.3	Very low	26.4	Very low	135 Å²	135	135.4 Å²	135.4	83%	0.828	82%	0.818	S	S	*	*			trans	-126.9	127.1	164.3	22.6	0	0	0	0	108.1
129	S	27.4	Very low	26.4	Very low	113 Å²	113	133.9 Å²	133.9	79%	0.79	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-76.1	142	-162.4	41.9	0	0	0	0	113.4
130	S	24	Very low	26.7	Very low	113 Å²	113	135.2 Å²	135.2	79%	0.79	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-58.3	135.6	159.1	26.9	0	0	0	0	111.3
131	P	28.5	Very low	26.9	Very low	129 Å²	129	135.5 Å²	135.5	84%	0.838	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-81.7	137.8	178.4	31.5	-30.7	0	0	0	111.3
132	S	27	Very low	26.7	Very low	106 Å²	106	137.8 Å²	137.8	74%	0.741	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-85.3	149.1	-177.9	54.8	0	0	0	0	113.3	A134	S132-A134 PolarHBondContact O-N 3.41Å
133	V	29.3	Very low	27.2	Very low	157 Å²	157	129.8 Å²	129.8	95%	0.952	80%	0.801	S	S	*	*	S	Bend	trans	-75	26.3	-167.6	179.2	0	0	0	0	114.9
134	A	29.1	Very low	27.1	Very low	89 Å²	89	135.4 Å²	135.4	74%	0.736	81%	0.813	S	S	*	*			trans	-105.8	5.7	-170.6	0	0	0	0	0	115.9	S132	S132-A134 PolarHBondContact O-N 3.41Å
135	E	26.8	Very low	26.8	Very low	181 Å²	181	136 Å²	136	85%	0.846	82%	0.819	S	S	*	*	S	Bend	trans	-111	10.6	-166.5	-126.6	175.9	-168.6	0	0	116.7
136	L	26.4	Very low	26.7	Very low	172 Å²	172	134.1 Å²	134.1	90%	0.901	82%	0.818	S	S	*	*			trans	-135.8	60.9	176.7	-65.9	173	0	0	0	112.2
137	L	24.1	Very low	27	Very low	161 Å²	161	133.3 Å²	133.3	84%	0.843	81%	0.813	S	S	*	*			trans	-126.8	69.4	160.7	-74.2	176.4	0	0	0	109
138	N	31.2	Very low	27.2	Very low	153 Å²	153	135.6 Å²	135.6	82%	0.818	81%	0.812	S	S	*	*			trans	-109.7	107.9	163.4	-88.1	27.5	0	0	0	109.1
139	V	25.8	Very low	27.4	Very low	123 Å²	123	136.9 Å²	136.9	75%	0.745	81%	0.814	S	S	*	*			trans	-82.7	107.5	172.2	175.5	0	0	0	0	106.9
140	D	28.8	Very low	27.3	Very low	157 Å²	157	134.7 Å²	134.7	84%	0.84	81%	0.809	S	S	*	*			trans	-117.6	128.5	163.7	-82.1	-40.3	0	0	0	110.1
141	T	24.4	Very low	27.6	Very low	112 Å²	112	135.3 Å²	135.3	69%	0.687	81%	0.811	S	S	*	*			trans	-100.8	159.1	-171.8	-44.8	0	0	0	0	107.8
142	I	25.2	Very low	27.6	Very low	175 Å²	175	139.1 Å²	139.1	90%	0.897	81%	0.814	S	S	*	*			trans	105.8	119.6	162.5	-53.1	157.4	0	0	0	114.9
143	G	31.5	Very low	27.6	Very low	72 Å²	72	139.1 Å²	139.1	74%	0.742	82%	0.82	S	S	*	*			trans	163.7	66.9	167.9	0	0	0	0	0	112.7
144	Q	22.8	Very low	27.5	Very low	204 Å²	204	135.1 Å²	135.1	95%	0.953	80%	0.804	S	S	*	*			trans	-73.8	119.7	168.7	-69.8	175.4	-5.9	0	0	109.3
145	S	28.7	Very low	27.4	Very low	117 Å²	117	138.2 Å²	138.2	82%	0.818	81%	0.808	S	S	*	*			trans	-149.8	123.7	157.4	61	0	0	0	0	110.7
146	S	23.9	Very low	27.4	Very low	109 Å²	109	137.8 Å²	137.8	76%	0.762	81%	0.811	S	S	*	*			trans	-71.8	171.8	177	47.5	0	0	0	0	113.8
147	V	30.8	Very low	27.5	Very low	126 Å²	126	135.2 Å²	135.2	76%	0.764	80%	0.802	S	S	*	*			trans	109.8	93.5	158.1	-170.1	0	0	0	0	114.3
148	D	26.6	Very low	27.7	Very low	143 Å²	143	135.7 Å²	135.7	77%	0.765	81%	0.805	S	S	*	*				51.5	104.7	120	-136.8	14.3	0	0	0	118.3
149	D	34	Very low	27.6	Very low	162 Å²	162	133.7 Å²	133.7	87%	0.866	80%	0.803	S	S	*	*				-172.1	138.4	126.3	-99.2	-38.3	0	0	0	110.6
150	G	24	Very low	27.9	Very low	67 Å²	67	138 Å²	138	69%	0.691	81%	0.806	S	S	*	*			trans	-63.7	179.8	-172.3	0	0	0	0	0	117
151	P	31.3	Very low	28.2	Very low	126 Å²	126	139.3 Å²	139.3	82%	0.818	81%	0.807	S	S	*	*			trans	-98.5	142	-131.4	35.1	-34.3	0	0	0	114.2
152	K	27.7	Very low	29	Very low	210 Å²	210	140.5 Å²	140.5	91%	0.913	81%	0.805	S	S	*	*			trans	-120.6	75.8	155.1	-77.8	-179.7	-179.7	171.1	0	108.9	A154	K152-A154 PolarHBondContact O-N 3.24Å
153	A	26.5	Very low	29.9	Very low	105 Å²	105	135.7 Å²	135.7	87%	0.868	78%	0.784	S	S	*	*			trans	-76.3	74.3	162.7	0	0	0	0	0	108.7
154	A	27.5	Very low	31.2	Very low	74 Å²	74	138 Å²	138	61%	0.612	78%	0.779	S	S	*	*			trans	-88.9	138.9	149.4	0	0	0	0	0	106.1	K152	K152-A154 PolarHBondContact O-N 3.24Å
155	D	27.9	Very low	32.9	Very low	154 Å²	154	132.2 Å²	132.2	82%	0.824	76%	0.757	S	S	*	*	S	Bend	trans	87.6	52.6	167.7	-46	-25.4	0	0	0	118.3
156	L	26.8	Very low	34.7	Very low	171 Å²	171	127 Å²	127	90%	0.895	72%	0.721	S	S	*	*	S	Bend	trans	-165.6	43.2	144.7	-140.6	81.7	0	0	0	118.5
157	V	28.1	Very low	36.6	Very low	119 Å²	119	125.8 Å²	125.8	72%	0.721	70%	0.703	S	S	*	*			trans	-144.3	67.7	163	-164.9	0	0	0	0	111.7	S159	V157-S159 VanDerWaalsContact C-N 3.33Å
158	N	27.3	Very low	38.2	Very low	170 Å²	170	120.8 Å²	120.8	91%	0.909	67%	0.672	S	S	*	*			trans	-94.2	16.8	167.2	-118.6	22.6	0	0	0	113
159	S	30.8	Very low	39.8	Very low	111 Å²	111	122.9 Å²	122.9	78%	0.776	68%	0.677	S	S	*	*			trans	-107.8	12.2	-176.4	-171.5	0	0	0	0	115	V157	V157-S159 VanDerWaalsContact C-N 3.33Å
160	R	31.3	Very low	40.6	Very low	215 Å²	215	122.2 Å²	122.2	81%	0.811	67%	0.673	S	S	*	*			trans	-121.1	70.3	168.8	-73.8	-176.2	170.1	174.3	-2.6	109.2	E162	R160-E162 PolarHBondContact O-N 3.29Å
161	Q	34.5	Very low	41.7	Very low	184 Å²	184	126.9 Å²	126.9	86%	0.86	67%	0.674	S	S	*	*			trans	-64.1	95.4	156.8	-76.8	-177.5	-11.4	0	0	106.3	T163	Q161-T163 PolarHBondContact O-N 3.25Å
162	E	40.8	Very low	42.6	Very low	137 Å²	137	127.6 Å²	127.6	64%	0.64	67%	0.67	S	S	*	*			trans	-46.3	110.5	172.2	-64.8	175.9	155.7	0	0	107.5	R160 L164	R160-E162 PolarHBondContact O-N 3.29Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.4Å
163	T	44.8	Very low	43.9	Very low	73 Å²	73	118.3 Å²	118.3	45%	0.448	63%	0.632	S	S	.	*			trans	-64.5	99.5	170.5	53.3	0	0	0	0	106	Q161 V165 Q167 V177	Q161-T163 PolarHBondContact O-N 3.25Å; T163-V165 PolarHBondContact O-N 3.1Å; T163-Q167 PolarHBondContact OG1-NE2 3.38Å; T163-V177 VanDerWaalsContact O-CG2 3.26Å; T163-V177 WeakPolarHBondContact O-CG2 3.24Å
164	L	58.4	Low	45.5	Very low	122 Å²	122	119.4 Å²	119.4	64%	0.639	63%	0.628	S	S	*	*			trans	-67.3	15	-179.2	-72.9	166.3	0	0	0	113	E162 P176	E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.4Å; L164-P176 VanDerWaalsContact O-CA 3.27Å; L164-P176 WeakPolarHBondContact O-CA 2.89Å
165	V	59.7	Low	47	Very low	81 Å²	81	121 Å²	121	49%	0.491	62%	0.618	S	S	.	*	S	Bend	trans	-134.2	130.6	-175.7	-169.3	0	0	0	0	109.5	T163 Q167 C173 V177	T163-V165 PolarHBondContact O-N 3.1Å; V165-Q167 PolarHBondContact O-N 3.5Å; V165-C173 WeakPolarHBondContact CG1-O 3.35Å; V165-V177 WeakPolarHBondContact O-CG2 3.09Å
166	C	65.1	Low	48.8	Very low	9 Å²	9	117.9 Å²	117.9	6%	0.061	61%	0.606	C	S	.	*			trans	-56.7	124.5	-177.2	178	0	0	0	0	113.1	N168 C173 R175 C184 H187	C166-N168 PolarHBondContact O-N 2.84Å; C166-C173 HydrophobicContact CB-CB 3.8Å; C166-R175 WeakPolarHBondContact CB-O 2.78Å; C166-R175 PolarHBondContact N-O 2.93Å; C166-C184 HydrophobicContact CB-CB 3.85Å; C166-C184 PolarHBondContact SG-N 2.97Å; C166-C184 VanDerWaalsContact SG-SG 3.68Å; C166-H187 PolarHBondContact SG-ND1 2.81Å
167	Q	64.3	Low	50.9	Low	83 Å²	83	111 Å²	111	39%	0.388	57%	0.571	S	S	.	*			trans	-81.5	36.6	179.4	-60.1	-173.4	2.7	0	0	113.7	T163 V165 Q169 L182 Y183	T163-Q167 PolarHBondContact OG1-NE2 3.38Å; V165-Q167 PolarHBondContact O-N 3.5Å; Q167-Q169 PolarHBondContact O-N 2.69Å; Q167-L182 PolarHBondContact N-O 3.02Å; Q167-Y183 HydrophobicContact CB-CE1 4.47Å; Q167-Y183 WeakPolarHBondContact O-CE1 3.38Å
168	N	65.7	Low	52.8	Low	21 Å²	21	108.3 Å²	108.3	11%	0.112	56%	0.555	C	S	.	*			trans	-71.5	117.7	176.6	-176.8	10.2	0	0	0	109.4	C166 L170 C173 H187	C166-N168 PolarHBondContact O-N 2.84Å; N168-L170 VanDerWaalsContact C-N 3.34Å; N168-L170 PolarHBondContact OD1-N 2.65Å; N168-L170 VanDerWaalsContact OD1-N 3.13Å; N168-C173 HydrophobicContact CB-CB 4.21Å; N168-H187 HydrophobicContact CB-CB 4.28Å; N168-H187 WeakPolarHBondContact CB-ND1 3.07Å; N168-H187 PolarHBondContact ND2-CD2 3.14Å; N168-H187 PolarHBondContact ND2-CE1 2.87Å; N168-H187 PolarHBondContact ND2-NE2 3.1Å
169	Q	59.6	Low	54.1	Low	186 Å²	186	105.5 Å²	105.5	87%	0.869	55%	0.549	S	S	*	.	S	Bend	trans	-78.3	-16.6	-176.7	-65.7	-179.2	-1.5	0	0	113.4	Q167	Q167-Q169 PolarHBondContact O-N 2.69Å
170	L	49.5	Very low	55.5	Low	149 Å²	149	104 Å²	104	78%	0.78	55%	0.551	S	S	*	*	S	Bend	trans	-88.1	-20.4	-176.6	-68	169.9	0	0	0	113.5	N168	N168-L170 VanDerWaalsContact C-N 3.34Å; N168-L170 PolarHBondContact OD1-N 2.65Å; N168-L170 VanDerWaalsContact OD1-N 3.13Å
171	F	47.1	Very low	57.2	Low	165 Å²	165	98.2 Å²	98.2	72%	0.724	53%	0.533	S	S	*	.	S	Bend	trans	-160.6	137	177.5	-149	-94.4	0	0	0	110.1	C173	F171-C173 VanDerWaalsContact C-N 3.33Å; F171-C173 PolarHBondContact O-N 2.85Å
172	L	52.2	Low	58.7	Low	140 Å²	140	93.4 Å²	93.4	73%	0.733	51%	0.513	S	S	*	.			trans	-60.3	89.1	179.5	-75.7	161.6	0	0	0	111.1	T174	L172-T174 PolarHBondContact O-N 3.37Å
173	C	53.7	Low	60.3	Low	15 Å²	15	89 Å²	89	10%	0.101	49%	0.491	C	S	.	.			trans	-87.5	103	-179.3	-172.7	0	0	0	0	110.1	V165 C166 N168 F171 R175 H187	V165-C173 WeakPolarHBondContact CG1-O 3.35Å; C166-C173 HydrophobicContact CB-CB 3.8Å; N168-C173 HydrophobicContact CB-CB 4.21Å; F171-C173 VanDerWaalsContact C-N 3.33Å; F171-C173 PolarHBondContact O-N 2.85Å; C173-R175 PolarHBondContact O-N 3.41Å; C173-R175 VanDerWaalsContact O-N 3.14Å; C173-H187 WeakPolarHBondContact CB-CE1 3.34Å; C173-H187 PolarHBondContact SG-CE1 2.82Å; C173-H187 PolarHBondContact SG-ND1 2.8Å
174	T	59.7	Low	61.7	Low	128 Å²	128	85.6 Å²	85.6	79%	0.785	47%	0.469	S	S	*	.			trans	-79.4	14.6	179	55.1	0	0	0	0	113.9	L172	L172-T174 PolarHBondContact O-N 3.37Å
175	R	60.7	Low	62	Low	108 Å²	108	88 Å²	88	41%	0.408	47%	0.47	S	S	.	.	S	Bend	trans	-82.9	146.3	179.5	-71.3	-176.3	170.3	148.3	-3.8	111.3	C166 C173 C184	C166-R175 WeakPolarHBondContact CB-O 2.78Å; C166-R175 PolarHBondContact N-O 2.93Å; C173-R175 PolarHBondContact O-N 3.41Å; C173-R175 VanDerWaalsContact O-N 3.14Å; R175-C184 HydrophobicContact CB-CB 3.58Å
176	P	63.9	Low	62.3	Low	89 Å²	89	86.5 Å²	86.5	58%	0.578	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-65.4	148.2	175.4	28	-33.6	0	0	0	112.2	L164 C184	L164-P176 VanDerWaalsContact O-CA 3.27Å; L164-P176 WeakPolarHBondContact O-CA 2.89Å; P176-C184 WeakPolarHBondContact O-CA 3.48Å; P176-C184 WeakPolarHBondContact O-CB 3.38Å
177	V	71.1	Confident	62.6	Low	26 Å²	26	87.7 Å²	87.7	16%	0.158	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-79.5	147.3	178.8	-179	0	0	0	0	109.8	T163 V165 E181	T163-V177 VanDerWaalsContact O-CG2 3.26Å; T163-V177 WeakPolarHBondContact O-CG2 3.24Å; V165-V177 WeakPolarHBondContact O-CG2 3.09Å; V177-E181 HydrophobicContact CG1-CB 4.18Å; V177-E181 WeakPolarHBondContact CG1-O 3.28Å
178	V	69	Low	62.6	Low	63 Å²	63	85.5 Å²	85.5	38%	0.382	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-73.5	138.1	172.9	-178.4	0	0	0	0	108.3	G180 E181 Y183 W185	V178-G180 PolarHBondContact O-N 3.38Å; V178-G180 VanDerWaalsContact O-N 3.15Å; V178-E181 HydrophobicContact CB-CB 4.24Å; V178-E181 HydrophobicContact CB-CG 4.21Å; V178-E181 WeakPolarHBondContact O-CB 3.16Å; V178-E181 PolarHBondContact O-N 2.78Å; V178-Y183 PolarHBondContact N-O 3.45Å; V178-W185 HydrophobicContact CG2-CB 4.24Å
179	S	53.5	Low	62	Low	111 Å²	111	88.8 Å²	88.8	78%	0.776	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	121.4	-178	-57.4	0	0	0	0	111.8
180	G	61.3	Low	61.9	Low	80 Å²	80	84.7 Å²	84.7	83%	0.825	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.1	-4.6	-178.1	0	0	0	0	0	116	V178	V178-G180 PolarHBondContact O-N 3.38Å; V178-G180 VanDerWaalsContact O-N 3.15Å
181	E	65.6	Low	62.2	Low	93 Å²	93	81.4 Å²	81.4	44%	0.435	45%	0.447	S	S	.	.			trans	-105.2	175.1	-179.4	-65.1	-65	167.7	0	0	112.5	V177 V178 L188	V177-E181 HydrophobicContact CG1-CB 4.18Å; V177-E181 WeakPolarHBondContact CG1-O 3.28Å; V178-E181 HydrophobicContact CB-CB 4.24Å; V178-E181 HydrophobicContact CB-CG 4.21Å; V178-E181 WeakPolarHBondContact O-CB 3.16Å; V178-E181 PolarHBondContact O-N 2.78Å; E181-L188 HydrophobicContact CB-CD1 3.97Å; E181-L188 VanDerWaalsContact CD-CD1 3.5Å; E181-L188 HydrophobicContact CG-CD1 3.68Å; E181-L188 HydrophobicContact CG-CD2 4.12Å; E181-L188 VanDerWaalsContact OE2-CD1 3.28Å; E181-L188 WeakPolarHBondContact OE2-CD1 3.43Å
182	L	68.1	Low	62.1	Low	83 Å²	83	75.8 Å²	75.8	44%	0.435	43%	0.428	S	S	.	.	S	Bend	trans	-104.2	-12.3	172.1	-63.9	173.9	0	0	0	112.9	Q167	Q167-L182 PolarHBondContact N-O 3.02Å
183	Y	74	Confident	61.7	Low	45 Å²	45	79.3 Å²	79.3	18%	0.176	44%	0.437	C	S	.	.	S	Bend	trans	-123.3	150.4	-172	-55.7	-77	0	0	0	111.5	Q167 V178 H187 H191	Q167-Y183 HydrophobicContact CB-CE1 4.47Å; Q167-Y183 WeakPolarHBondContact O-CE1 3.38Å; V178-Y183 PolarHBondContact N-O 3.45Å; Y183-H187 HydrophobicContact CD1-CB 4.29Å; Y183-H191 AromaticContact CD1-CD2 3.6Å; Y183-H191 HydrophobicContact CD2-CB 3.88Å; Y183-H191 HydrophobicContact CE1-CB 4.46Å; Y183-H191 AromaticContact CE1-CD2 3.33Å; Y183-H191 WeakPolarHBondContact CE1-CD2 3.46Å; Y183-H191 AromaticContact CE1-CG 3.91Å; Y183-H191 AromaticContact CE1-NE2 3.76Å; Y183-H191 HydrophobicContact CE2-CB 3.49Å; Y183-H191 VanDerWaalsContact CE2-CB 3.49Å; Y183-H191 AromaticContact CE2-CD2 3.97Å; Y183-H191 AromaticContact CE2-CG 3.81Å; Y183-H191 AromaticContact CZ-CD2 3.53Å; Y183-H191 AromaticContact CZ-CG 3.59Å
184	C	74	Confident	61	Low	0 Å²	0	88.9 Å²	88.9	0%	0	47%	0.472	C	S	.	.			trans	-68.6	164.2	168.9	72	0	0	0	0	111	C166 R175 P176 V186 H187 L188	C166-C184 HydrophobicContact CB-CB 3.85Å; C166-C184 PolarHBondContact SG-N 2.97Å; C166-C184 VanDerWaalsContact SG-SG 3.68Å; R175-C184 HydrophobicContact CB-CB 3.58Å; P176-C184 WeakPolarHBondContact O-CA 3.48Å; P176-C184 WeakPolarHBondContact O-CB 3.38Å; C184-V186 PolarHBondContact O-N 3.38Å; C184-H187 PolarHBondContact O-N 3.27Å; C184-H187 PolarHBondContact SG-ND1 3.08Å; C184-L188 WeakPolarHBondContact O-CB 3.26Å; C184-L188 PolarHBondContact O-N 2.85Å
185	W	63.4	Low	60.5	Low	173 Å²	173	86 Å²	86	66%	0.655	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-22.3	178.8	69.7	-88.6	0	0	0	115.6	V178 P189	V178-W185 HydrophobicContact CG2-CB 4.24Å; W185-P189 VanDerWaalsContact O-CD 3.3Å; W185-P189 WeakPolarHBondContact O-CD 3.41Å
186	V	66.3	Low	60	Low	50 Å²	50	86.4 Å²	86.4	30%	0.303	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-32.4	176.3	173.5	0	0	0	0	113.3	C184	C184-V186 PolarHBondContact O-N 3.38Å
187	H	71.6	Confident	59.7	Low	33 Å²	33	88 Å²	88	15%	0.153	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-16.7	-178.3	-62.4	134.7	0	0	0	112.6	C166 N168 C173 Y183 C184 V190 H191	C166-H187 PolarHBondContact SG-ND1 2.81Å; N168-H187 HydrophobicContact CB-CB 4.28Å; N168-H187 WeakPolarHBondContact CB-ND1 3.07Å; N168-H187 PolarHBondContact ND2-CD2 3.14Å; N168-H187 PolarHBondContact ND2-CE1 2.87Å; N168-H187 PolarHBondContact ND2-NE2 3.1Å; C173-H187 WeakPolarHBondContact CB-CE1 3.34Å; C173-H187 PolarHBondContact SG-CE1 2.82Å; C173-H187 PolarHBondContact SG-ND1 2.8Å; Y183-H187 HydrophobicContact CD1-CB 4.29Å; C184-H187 PolarHBondContact O-N 3.27Å; C184-H187 PolarHBondContact SG-ND1 3.08Å; H187-V190 WeakPolarHBondContact O-CB 3.27Å; H187-V190 PolarHBondContact O-N 2.89Å; H187-V190 VanDerWaalsContact O-N 3.12Å; H187-H191 PolarHBondContact O-CD2 3.45Å; H187-H191 PolarHBondContact O-N 3.08Å
188	L	64.3	Low	59.3	Low	37 Å²	37	86.9 Å²	86.9	19%	0.194	46%	0.457	C	S	.	.	H	α-helix	trans	-55.7	-44.7	174.2	-172.7	67.1	0	0	0	112.6	E181 C184 V190 H191 S192	E181-L188 HydrophobicContact CB-CD1 3.97Å; E181-L188 VanDerWaalsContact CD-CD1 3.5Å; E181-L188 HydrophobicContact CG-CD1 3.68Å; E181-L188 HydrophobicContact CG-CD2 4.12Å; E181-L188 VanDerWaalsContact OE2-CD1 3.28Å; E181-L188 WeakPolarHBondContact OE2-CD1 3.43Å; C184-L188 WeakPolarHBondContact O-CB 3.26Å; C184-L188 PolarHBondContact O-N 2.85Å; L188-V190 PolarHBondContact O-N 3.37Å; L188-H191 PolarHBondContact O-N 3.26Å; L188-S192 WeakPolarHBondContact O-CB 3.48Å; L188-S192 PolarHBondContact O-N 3.06Å
189	P	54.5	Low	59.2	Low	91 Å²	91	89.3 Å²	89.3	59%	0.591	47%	0.468	S	S	*	.	H	α-helix	trans	-67.1	-23.8	177.8	-18.8	32.8	0	0	0	113.8	W185	W185-P189 VanDerWaalsContact O-CD 3.3Å; W185-P189 WeakPolarHBondContact O-CD 3.41Å
190	V	57.4	Low	60	Low	100 Å²	100	86.2 Å²	86.2	61%	0.606	44%	0.44	S	S	*	.	H	α-helix	trans	-76.8	-28	-178.9	-175	0	0	0	0	111.1	H187 L188	H187-V190 WeakPolarHBondContact O-CB 3.27Å; H187-V190 PolarHBondContact O-N 2.89Å; H187-V190 VanDerWaalsContact O-N 3.12Å; L188-V190 PolarHBondContact O-N 3.37Å
191	H	53.9	Low	60.1	Low	79 Å²	79	87.4 Å²	87.4	37%	0.366	43%	0.426	S	S	.	.	H	α-helix	trans	-112.4	-13.4	-177	-64.9	-66.9	0	0	0	114.2	Y183 H187 L188 K193	Y183-H191 AromaticContact CD1-CD2 3.6Å; Y183-H191 HydrophobicContact CD2-CB 3.88Å; Y183-H191 HydrophobicContact CE1-CB 4.46Å; Y183-H191 AromaticContact CE1-CD2 3.33Å; Y183-H191 WeakPolarHBondContact CE1-CD2 3.46Å; Y183-H191 AromaticContact CE1-CG 3.91Å; Y183-H191 AromaticContact CE1-NE2 3.76Å; Y183-H191 HydrophobicContact CE2-CB 3.49Å; Y183-H191 VanDerWaalsContact CE2-CB 3.49Å; Y183-H191 AromaticContact CE2-CD2 3.97Å; Y183-H191 AromaticContact CE2-CG 3.81Å; Y183-H191 AromaticContact CZ-CD2 3.53Å; Y183-H191 AromaticContact CZ-CG 3.59Å; H187-H191 PolarHBondContact O-CD2 3.45Å; H187-H191 PolarHBondContact O-N 3.08Å; L188-H191 PolarHBondContact O-N 3.26Å; H191-K193 PolarHBondContact O-N 2.88Å
192	S	46.5	Very low	59.8	Low	48 Å²	48	85.2 Å²	85.2	34%	0.336	42%	0.417	S	S	.	.			trans	-74.9	121	176.2	-169.5	0	0	0	0	110	L188 R194	L188-S192 WeakPolarHBondContact O-CB 3.48Å; L188-S192 PolarHBondContact O-N 3.06Å; S192-R194 PolarHBondContact O-N 3.34Å; S192-R194 PolarHBondContact OG-N 2.67Å
193	K	42.4	Very low	59.6	Low	213 Å²	213	86 Å²	86	93%	0.926	43%	0.429	S	S	*	.			trans	-67.3	14.8	170.7	-65.8	-177.9	178.6	179.1	0	113.4	H191 A195	H191-K193 PolarHBondContact O-N 2.88Å; K193-A195 PolarHBondContact O-N 3.37Å; K193-A195 VanDerWaalsContact O-N 3.1Å
194	R	40.4	Very low	59.1	Low	217 Å²	217	92.4 Å²	92.4	82%	0.819	46%	0.461	S	S	*	.			trans	-76.3	96.7	170.8	-75	-173.7	178.1	-168.6	0.8	108.6	S192 I196	S192-R194 PolarHBondContact O-N 3.34Å; S192-R194 PolarHBondContact OG-N 2.67Å; R194-I196 PolarHBondContact O-N 2.93Å
195	A	47.7	Very low	58.6	Low	66 Å²	66	94.9 Å²	94.9	55%	0.545	48%	0.478	S	S	.	.			trans	-49.1	129.4	175.9	0	0	0	0	0	111.3	K193 R197	K193-A195 PolarHBondContact O-N 3.37Å; K193-A195 VanDerWaalsContact O-N 3.1Å; A195-R197 PolarHBondContact O-N 3.3Å
196	I	50.2	Low	58.3	Low	118 Å²	118	94.3 Å²	94.3	61%	0.605	48%	0.483	S	S	*	.			trans	-69.4	114.9	-178.7	-61.4	166.4	0	0	0	108.5	R194 S213	R194-I196 PolarHBondContact O-N 2.93Å; I196-S213 WeakPolarHBondContact CB-OG 3.42Å; I196-S213 WeakPolarHBondContact CG2-OG 3.33Å; I196-S213 WeakPolarHBondContact O-CB 3.39Å; I196-S213 PolarHBondContact O-N 3.26Å; I196-S213 PolarHBondContact O-OG 3.43Å
197	R	59	Low	57.9	Low	123 Å²	123	97 Å²	97	46%	0.464	50%	0.496	S	S	.	.	B	Isolated β-bridge	trans	-74.1	156.5	172.2	50.8	174.9	-95.6	176.9	-16.2	112	A195 E208	A195-R197 PolarHBondContact O-N 3.3Å; R197-E208 IonicContact CZ-OE1 2.69Å; R197-E208 IonicContact CZ-OE2 2.72Å; R197-E208 IonicContact NH1-OE2 2.78Å; R197-E208 PolarHBondContact NH1-OE2 3.3Å; R197-E208 IonicContact NH2-OE1 3.18Å; R197-E208 PolarHBondContact NH2-OE1 3.43Å; R197-E208 IonicContact NH2-OE2 2.72Å; R197-E208 PolarHBondContact NH2-OE2 3.12Å
198	C	63.2	Low	57.3	Low	1 Å²	1	100 Å²	100	1%	0.007	51%	0.51	C	S	.	.			trans	-65.9	131.1	175.6	-175.2	0	0	0	0	111.4	Y200 C209 E211 C224 H227	C198-Y200 PolarHBondContact O-N 3.27Å; C198-C209 HydrophobicContact CB-CB 3.96Å; C198-E211 VanDerWaalsContact CB-O 3.3Å; C198-E211 WeakPolarHBondContact CB-O 3.42Å; C198-E211 PolarHBondContact N-O 3.47Å; C198-C224 HydrophobicContact CB-CB 4.12Å; C198-C224 PolarHBondContact SG-N 3.03Å; C198-H227 PolarHBondContact SG-ND1 3.32Å; C198-H227 VanDerWaalsContact SG-ND1 3.43Å
199	N	66.9	Low	57.4	Low	114 Å²	114	99 Å²	99	61%	0.61	51%	0.506	S	S	*	.			trans	-84	19.4	177	-81	-6.3	0	0	0	114.2	G222	N199-G222 PolarHBondContact N-O 3.36Å
200	Y	68.6	Low	57.6	Low	47 Å²	47	102.1 Å²	102.1	18%	0.184	52%	0.517	C	S	.	.			trans	-84.1	127.7	-178.8	-177.1	-94.8	0	0	0	109.7	C198 N202 C209 L223 H227 L230	C198-Y200 PolarHBondContact O-N 3.27Å; Y200-N202 HydrophobicContact CE1-CB 4.15Å; Y200-C209 PolarHBondContact O-N 2.82Å; Y200-L223 HydrophobicContact CD2-CD2 4.5Å; Y200-H227 VanDerWaalsContact CB-CG 3.45Å; Y200-H227 WeakPolarHBondContact CB-ND1 3.49Å; Y200-H227 AromaticContact CD1-CD2 3.37Å; Y200-H227 WeakPolarHBondContact CD1-CD2 3.49Å; Y200-H227 AromaticContact CD1-CE1 3.42Å; Y200-H227 VanDerWaalsContact CD1-CE1 3.42Å; Y200-H227 WeakPolarHBondContact CD1-CE1 3.06Å; Y200-H227 AromaticContact CD1-CG 3.81Å; Y200-H227 AromaticContact CD1-ND1 3.83Å; Y200-H227 AromaticContact CD1-NE2 3.12Å; Y200-H227 WeakPolarHBondContact CD1-NE2 3.16Å; Y200-H227 HydrophobicContact CD2-CB 3.91Å; Y200-H227 AromaticContact CD2-CD2 3.49Å; Y200-H227 VanDerWaalsContact CD2-CD2 3.49Å; Y200-H227 WeakPolarHBondContact CD2-CD2 3.5Å; Y200-H227 AromaticContact CD2-CG 3.66Å; Y200-H227 AromaticContact CE1-CD2 3.6Å; Y200-H227 AromaticContact CE1-NE2 3.36Å; Y200-H227 WeakPolarHBondContact CE1-NE2 3.43Å; Y200-H227 AromaticContact CE2-CD2 3.72Å; Y200-H227 HydrophobicContact CG-CB 3.99Å; Y200-H227 AromaticContact CG-CD2 3.29Å; Y200-H227 AromaticContact CG-CE1 3.71Å; Y200-H227 AromaticContact CG-CG 3.35Å; Y200-H227 AromaticContact CG-ND1 3.6Å; Y200-H227 AromaticContact CG-NE2 3.56Å; Y200-H227 AromaticContact CZ-CD2 3.77Å; Y200-H227 AromaticContact CZ-NE2 3.99Å; Y200-L230 HydrophobicContact CE2-CD2 3.83Å; Y200-L230 WeakPolarHBondContact OH-CD2 3.38Å
201	I	64.7	Low	57.4	Low	105 Å²	105	102.6 Å²	102.6	54%	0.538	51%	0.513	S	S	.	.	B	Isolated β-bridge	trans	-117.9	125.1	173.2	-58.2	172.2	0	0	0	106.7	S203	I201-S203 PolarHBondContact O-N 3.43Å
202	N	59.7	Low	57.4	Low	46 Å²	46	105 Å²	105	25%	0.246	53%	0.525	C	S	.	.			trans	-73	119.9	174.7	-171.5	6.2	0	0	0	109.5	Y200 E204 S205 E206 D207	Y200-N202 HydrophobicContact CE1-CB 4.15Å; N202-E204 PolarHBondContact O-N 3.21Å; N202-E204 PolarHBondContact OD1-N 3.13Å; N202-S205 PolarHBondContact ND2-OG 3.36Å; N202-E206 WeakPolarHBondContact O-CA 3.3Å; N202-E206 PolarHBondContact O-N 2.93Å; N202-D207 PolarHBondContact N-O 3.11Å; N202-D207 VanDerWaalsContact N-O 3.11Å
203	S	62.5	Low	57.5	Low	99 Å²	99	104 Å²	104	69%	0.692	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-18	-178.5	47.7	0	0	0	0	114.2	I201	I201-S203 PolarHBondContact O-N 3.43Å
204	E	63.1	Low	57.6	Low	180 Å²	180	99.2 Å²	99.2	84%	0.841	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-36.8	-177.8	-66.1	-179.9	-179.2	0	0	113.1	N202	N202-E204 PolarHBondContact O-N 3.21Å; N202-E204 PolarHBondContact OD1-N 3.13Å
205	S	65.4	Low	57.6	Low	52 Å²	52	94.6 Å²	94.6	36%	0.364	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-6.1	-179.4	73	0	0	0	0	113.9	N202 D207	N202-S205 PolarHBondContact ND2-OG 3.36Å; S205-D207 WeakPolarHBondContact CB-OD2 3.44Å; S205-D207 PolarHBondContact O-N 2.86Å; S205-D207 PolarHBondContact OG-OD2 2.87Å
206	E	56.6	Low	57.4	Low	161 Å²	161	100.3 Å²	100.3	75%	0.752	51%	0.512	S	S	*	.			trans	55.4	4.3	-171.4	-62.7	-171.3	165.4	0	0	115	N202	N202-E206 WeakPolarHBondContact O-CA 3.3Å; N202-E206 PolarHBondContact O-N 2.93Å
207	D	58.5	Low	57	Low	106 Å²	106	98.3 Å²	98.3	57%	0.567	52%	0.52	S	S	*	.			trans	-69.9	140.4	-179.7	-59.5	-51.9	0	0	0	112	N202 S205	N202-D207 PolarHBondContact N-O 3.11Å; N202-D207 VanDerWaalsContact N-O 3.11Å; S205-D207 WeakPolarHBondContact CB-OD2 3.44Å; S205-D207 PolarHBondContact O-N 2.86Å; S205-D207 PolarHBondContact OG-OD2 2.87Å
208	E	58.2	Low	56.2	Low	97 Å²	97	104.4 Å²	104.4	45%	0.453	54%	0.543	S	S	.	.	B	Isolated β-bridge	trans	-89.6	142.1	176.4	-54.7	-170.5	132.7	0	0	110.6	R197 D210	R197-E208 IonicContact CZ-OE1 2.69Å; R197-E208 IonicContact CZ-OE2 2.72Å; R197-E208 IonicContact NH1-OE2 2.78Å; R197-E208 PolarHBondContact NH1-OE2 3.3Å; R197-E208 IonicContact NH2-OE1 3.18Å; R197-E208 PolarHBondContact NH2-OE1 3.43Å; R197-E208 IonicContact NH2-OE2 2.72Å; R197-E208 PolarHBondContact NH2-OE2 3.12Å; E208-D210 PolarHBondContact O-N 2.9Å
209	C	66.7	Low	55.3	Low	17 Å²	17	106.5 Å²	106.5	12%	0.115	56%	0.558	C	S	.	*			trans	-74.7	113.8	173.9	178.2	0	0	0	0	111.2	C198 Y200 E211 H227	C198-C209 HydrophobicContact CB-CB 3.96Å; Y200-C209 PolarHBondContact O-N 2.82Å; C209-E211 PolarHBondContact O-N 3.01Å; C209-E211 WeakPolarHBondContact SG-CB 3.47Å; C209-E211 PolarHBondContact SG-N 3.4Å; C209-E211 VanDerWaalsContact SG-N 3.41Å; C209-H227 WeakPolarHBondContact CB-CE1 3.41Å; C209-H227 PolarHBondContact SG-CE1 3.38Å
210	D	57.8	Low	54.5	Low	155 Å²	155	110.3 Å²	110.3	83%	0.829	58%	0.575	S	S	*	*			trans	-73.7	-1.9	175.8	-75.3	-31.7	0	0	0	114.2	E208	E208-D210 PolarHBondContact O-N 2.9Å
211	E	54.5	Low	53.9	Low	110 Å²	110	111.9 Å²	111.9	51%	0.514	59%	0.586	S	S	.	*	S	Bend	trans	-79.9	129.6	-176.5	-145.6	163.6	-155.6	0	0	111.5	C198 C209 S213	C198-E211 VanDerWaalsContact CB-O 3.3Å; C198-E211 WeakPolarHBondContact CB-O 3.42Å; C198-E211 PolarHBondContact N-O 3.47Å; C209-E211 PolarHBondContact O-N 3.01Å; C209-E211 WeakPolarHBondContact SG-CB 3.47Å; C209-E211 PolarHBondContact SG-N 3.4Å; C209-E211 VanDerWaalsContact SG-N 3.41Å; E211-S213 PolarHBondContact O-N 3.02Å
212	Q	52.7	Low	53.7	Low	131 Å²	131	107.9 Å²	107.9	61%	0.612	57%	0.571	S	S	*	*	B	Isolated β-bridge	trans	-62.5	135	178.9	-66.9	177.4	12.5	0	0	109.6	V214	Q212-V214 VanDerWaalsContact C-N 3.34Å; Q212-V214 PolarHBondContact O-N 2.9Å
213	S	49.2	Very low	53.9	Low	25 Å²	25	106.9 Å²	106.9	18%	0.175	57%	0.566	C	S	.	*			trans	-67	101.7	167.4	68.9	0	0	0	0	106.9	I196 E211 N215	I196-S213 WeakPolarHBondContact CB-OG 3.42Å; I196-S213 WeakPolarHBondContact CG2-OG 3.33Å; I196-S213 WeakPolarHBondContact O-CB 3.39Å; I196-S213 PolarHBondContact O-N 3.26Å; I196-S213 PolarHBondContact O-OG 3.43Å; E211-S213 PolarHBondContact O-N 3.02Å; S213-N215 PolarHBondContact O-N 2.81Å; S213-N215 VanDerWaalsContact O-N 3.08Å
214	V	43.4	Very low	54.5	Low	113 Å²	113	102.2 Å²	102.2	69%	0.685	53%	0.533	S	S	*	.			trans	-55.8	124.6	-175.6	178.6	0	0	0	0	108.5	Q212	Q212-V214 VanDerWaalsContact C-N 3.34Å; Q212-V214 PolarHBondContact O-N 2.9Å
215	N	40.9	Very low	54.7	Low	121 Å²	121	97.8 Å²	97.8	65%	0.647	52%	0.52	S	S	*	.	S	Bend	trans	-26.6	136.6	178.1	-74.7	-44.7	0	0	0	115.5	S213	S213-N215 PolarHBondContact O-N 2.81Å; S213-N215 VanDerWaalsContact O-N 3.08Å
216	H	42.9	Very low	55.2	Low	186 Å²	186	100.4 Å²	100.4	86%	0.861	53%	0.527	S	S	*	.	S	Bend	trans	55.3	83.2	152.6	-57.9	-54.1	0	0	0	116.7
217	G	41.9	Very low	56.3	Low	75 Å²	75	93.5 Å²	93.5	77%	0.773	50%	0.495	S	S	*	.	S	Bend	trans	135.9	5.7	131.4	0	0	0	0	0	119.8
218	R	43	Very low	56.9	Low	251 Å²	251	89.5 Å²	89.5	95%	0.947	48%	0.475	S	S	*	.	S	Bend	trans	-133.4	-16.9	-175.7	-65.5	-172	-161.1	-134.4	2.8	118.5
219	S	44.1	Very low	57.6	Low	45 Å²	45	89.4 Å²	89.4	32%	0.315	48%	0.481	S	S	.	.			trans	-106.3	94.4	179.8	-176.3	0	0	0	0	110.1	N221 G222 L223	S219-N221 PolarHBondContact O-N 3.38Å; S219-G222 PolarHBondContact O-N 2.84Å; S219-L223 VanDerWaalsContact CB-O 3.29Å; S219-L223 WeakPolarHBondContact CB-O 3.5Å; S219-L223 PolarHBondContact OG-N 3.04Å; S219-L223 PolarHBondContact OG-O 2.72Å
220	M	50.4	Low	58.1	Low	195 Å²	195	91.9 Å²	91.9	96%	0.961	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-12.8	169.3	-90.6	178.7	76.7	0	0	112.6
221	N	54.9	Low	58.8	Low	80 Å²	80	85.7 Å²	85.7	43%	0.428	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-0.8	-169.9	-56.9	-18.6	0	0	0	113.6	S219 L223	S219-N221 PolarHBondContact O-N 3.38Å; N221-L223 VanDerWaalsContact C-N 3.28Å; N221-L223 HydrophobicContact CB-CD1 4.11Å; N221-L223 HydrophobicContact CB-CG 4.3Å; N221-L223 PolarHBondContact O-N 3Å
222	G	61.1	Low	59.6	Low	21 Å²	21	83.8 Å²	83.8	22%	0.216	46%	0.457	C	S	.	.	S	Bend	trans	68.6	24.2	-179	0	0	0	0	0	114.3	N199 S219	N199-G222 PolarHBondContact N-O 3.36Å; S219-G222 PolarHBondContact O-N 2.84Å
223	L	64.8	Low	60.8	Low	25 Å²	25	80.4 Å²	80.4	13%	0.131	45%	0.451	C	S	.	.			trans	-106.4	146.1	179	-63	169.7	0	0	0	110.6	Y200 S219 N221 H227 A231	Y200-L223 HydrophobicContact CD2-CD2 4.5Å; S219-L223 VanDerWaalsContact CB-O 3.29Å; S219-L223 WeakPolarHBondContact CB-O 3.5Å; S219-L223 PolarHBondContact OG-N 3.04Å; S219-L223 PolarHBondContact OG-O 2.72Å; N221-L223 VanDerWaalsContact C-N 3.28Å; N221-L223 HydrophobicContact CB-CD1 4.11Å; N221-L223 HydrophobicContact CB-CG 4.3Å; N221-L223 PolarHBondContact O-N 3Å; L223-H227 HydrophobicContact CB-CB 4.08Å; L223-H227 HydrophobicContact CD2-CB 4.18Å; L223-A231 HydrophobicContact CD1-CB 4.11Å
224	C	74	Confident	62	Low	0 Å²	0	85 Å²	85	0%	0	47%	0.468	C	S	.	.			trans	-62.3	161.5	169.6	76.9	0	0	0	0	110.8	C198 M226 H227 S228	C198-C224 HydrophobicContact CB-CB 4.12Å; C198-C224 PolarHBondContact SG-N 3.03Å; C224-M226 PolarHBondContact O-N 3.04Å; C224-H227 PolarHBondContact O-N 3.39Å; C224-H227 VanDerWaalsContact O-N 3.09Å; C224-H227 PolarHBondContact SG-ND1 3.48Å; C224-S228 PolarHBondContact O-N 2.89Å
225	P	67.6	Low	63.1	Low	88 Å²	88	85.3 Å²	85.3	57%	0.571	46%	0.457	S	S	*	.	H	α-helix	trans	-53.2	-39.8	-176.4	-27.2	35.2	0	0	0	113.9	T229	P225-T229 PolarHBondContact O-N 3.48Å; P225-T229 VanDerWaalsContact O-N 3.15Å; P225-T229 PolarHBondContact O-OG1 2.81Å
226	M	75.6	Confident	64.5	Low	106 Å²	106	82.6 Å²	82.6	52%	0.522	45%	0.447	S	S	.	.	H	α-helix	trans	-64	-47.3	177	-176.4	-176.2	65.8	0	0	112.1	C224 T229 L230	C224-M226 PolarHBondContact O-N 3.04Å; M226-T229 PolarHBondContact O-N 2.76Å; M226-T229 PolarHBondContact O-OG1 2.9Å; M226-L230 PolarHBondContact O-N 3.03Å; M226-L230 VanDerWaalsContact O-N 3.08Å
227	H	79.3	Confident	65.9	Low	17 Å²	17	76.8 Å²	76.8	8%	0.079	43%	0.432	C	S	.	.	H	α-helix	trans	-74.6	-26.7	179.9	-70.2	129.6	0	0	0	113.6	C198 Y200 C209 L223 C224 A231	C198-H227 PolarHBondContact SG-ND1 3.32Å; C198-H227 VanDerWaalsContact SG-ND1 3.43Å; Y200-H227 VanDerWaalsContact CB-CG 3.45Å; Y200-H227 WeakPolarHBondContact CB-ND1 3.49Å; Y200-H227 AromaticContact CD1-CD2 3.37Å; Y200-H227 WeakPolarHBondContact CD1-CD2 3.49Å; Y200-H227 AromaticContact CD1-CE1 3.42Å; Y200-H227 VanDerWaalsContact CD1-CE1 3.42Å; Y200-H227 WeakPolarHBondContact CD1-CE1 3.06Å; Y200-H227 AromaticContact CD1-CG 3.81Å; Y200-H227 AromaticContact CD1-ND1 3.83Å; Y200-H227 AromaticContact CD1-NE2 3.12Å; Y200-H227 WeakPolarHBondContact CD1-NE2 3.16Å; Y200-H227 HydrophobicContact CD2-CB 3.91Å; Y200-H227 AromaticContact CD2-CD2 3.49Å; Y200-H227 VanDerWaalsContact CD2-CD2 3.49Å; Y200-H227 WeakPolarHBondContact CD2-CD2 3.5Å; Y200-H227 AromaticContact CD2-CG 3.66Å; Y200-H227 AromaticContact CE1-CD2 3.6Å; Y200-H227 AromaticContact CE1-NE2 3.36Å; Y200-H227 WeakPolarHBondContact CE1-NE2 3.43Å; Y200-H227 AromaticContact CE2-CD2 3.72Å; Y200-H227 HydrophobicContact CG-CB 3.99Å; Y200-H227 AromaticContact CG-CD2 3.29Å; Y200-H227 AromaticContact CG-CE1 3.71Å; Y200-H227 AromaticContact CG-CG 3.35Å; Y200-H227 AromaticContact CG-ND1 3.6Å; Y200-H227 AromaticContact CG-NE2 3.56Å; Y200-H227 AromaticContact CZ-CD2 3.77Å; Y200-H227 AromaticContact CZ-NE2 3.99Å; C209-H227 WeakPolarHBondContact CB-CE1 3.41Å; C209-H227 PolarHBondContact SG-CE1 3.38Å; L223-H227 HydrophobicContact CB-CB 4.08Å; L223-H227 HydrophobicContact CD2-CB 4.18Å; C224-H227 PolarHBondContact O-N 3.39Å; C224-H227 VanDerWaalsContact O-N 3.09Å; C224-H227 PolarHBondContact SG-ND1 3.48Å; H227-A231 WeakPolarHBondContact O-CB 3.3Å; H227-A231 PolarHBondContact O-N 2.82Å
228	S	71.4	Confident	67.1	Low	21 Å²	21	80.8 Å²	80.8	15%	0.147	43%	0.425	C	S	.	.	H	α-helix	trans	-65	-45.5	171.1	-166.3	0	0	0	0	111.2	C224 A231 D232	C224-S228 PolarHBondContact O-N 2.89Å; S228-A231 PolarHBondContact O-N 3.04Å; S228-D232 PolarHBondContact O-N 3.19Å
229	T	73.4	Confident	68	Low	95 Å²	95	72.9 Å²	72.9	58%	0.583	40%	0.401	S	S	*	.	H	α-helix	trans	-64.1	-40.7	177.1	22.3	0	0	0	0	111.9	P225 M226 D232 A233	P225-T229 PolarHBondContact O-N 3.48Å; P225-T229 VanDerWaalsContact O-N 3.15Å; P225-T229 PolarHBondContact O-OG1 2.81Å; M226-T229 PolarHBondContact O-N 2.76Å; M226-T229 PolarHBondContact O-OG1 2.9Å; T229-D232 PolarHBondContact O-N 3.09Å; T229-A233 WeakPolarHBondContact O-CB 3.44Å; T229-A233 PolarHBondContact O-N 3.32Å
230	L	77.2	Confident	69.2	Low	69 Å²	69	78.1 Å²	78.1	36%	0.361	42%	0.418	S	S	.	.	H	α-helix	trans	-61.3	-44.1	174.5	-171.3	75.2	0	0	0	112.2	Y200 M226 A233 K234	Y200-L230 HydrophobicContact CE2-CD2 3.83Å; Y200-L230 WeakPolarHBondContact OH-CD2 3.38Å; M226-L230 PolarHBondContact O-N 3.03Å; M226-L230 VanDerWaalsContact O-N 3.08Å; L230-A233 PolarHBondContact O-N 2.88Å; L230-K234 PolarHBondContact O-N 3.15Å
231	A	72.1	Confident	69.6	Low	26 Å²	26	70.8 Å²	70.8	22%	0.215	39%	0.393	C	S	.	.	H	α-helix	trans	-64.5	-42.2	178.9	0	0	0	0	0	111.9	L223 H227 S228 K234 R235	L223-A231 HydrophobicContact CD1-CB 4.11Å; H227-A231 WeakPolarHBondContact O-CB 3.3Å; H227-A231 PolarHBondContact O-N 2.82Å; S228-A231 PolarHBondContact O-N 3.04Å; A231-K234 PolarHBondContact O-N 3.41Å; A231-R235 WeakPolarHBondContact O-CB 3.31Å; A231-R235 PolarHBondContact O-N 3.22Å
232	D	71.8	Confident	69.5	Low	70 Å²	70	70 Å²	70	37%	0.374	39%	0.389	S	S	.	.	H	α-helix	trans	-67.8	-37.7	177.5	-69.3	-30.4	0	0	0	111.9	S228 T229 R235 S236	S228-D232 PolarHBondContact O-N 3.19Å; T229-D232 PolarHBondContact O-N 3.09Å; D232-R235 PolarHBondContact O-N 2.84Å; D232-R235 IonicContact OD1-CZ 3.37Å; D232-R235 IonicContact OD1-NH1 3.6Å; D232-R235 PolarHBondContact OD1-NH1 3.18Å; D232-R235 IonicContact OD1-NH2 3.94Å; D232-R235 PolarHBondContact OD1-NH2 2.73Å; D232-S236 WeakPolarHBondContact O-CB 3.45Å; D232-S236 PolarHBondContact O-N 3.26Å
233	A	76.7	Confident	68.9	Low	59 Å²	59	75.8 Å²	75.8	49%	0.488	41%	0.41	S	S	.	.	H	α-helix	trans	-61.4	-46.7	173.1	0	0	0	0	0	112	T229 L230 R235 S236 A237	T229-A233 WeakPolarHBondContact O-CB 3.44Å; T229-A233 PolarHBondContact O-N 3.32Å; L230-A233 PolarHBondContact O-N 2.88Å; A233-R235 VanDerWaalsContact C-N 3.35Å; A233-R235 PolarHBondContact O-N 3.15Å; A233-S236 PolarHBondContact O-N 3.09Å; A233-A237 PolarHBondContact O-N 3.08Å
234	K	75.2	Confident	68.3	Low	121 Å²	121	76.8 Å²	76.8	53%	0.526	43%	0.426	S	S	.	.	H	α-helix	trans	-60.7	-42.2	174.9	-75.2	-176.5	176.6	-178.9	0	111.8	L230 A231 S236 A237 Y238	L230-K234 PolarHBondContact O-N 3.15Å; A231-K234 PolarHBondContact O-N 3.41Å; K234-S236 PolarHBondContact O-N 3.4Å; K234-A237 PolarHBondContact O-N 3.39Å; K234-Y238 WeakPolarHBondContact O-CB 3.13Å; K234-Y238 PolarHBondContact O-N 2.89Å
235	R	67.7	Low	67	Low	121 Å²	121	84.4 Å²	84.4	46%	0.457	46%	0.459	S	S	.	.	H	α-helix	trans	-64	-40.3	178	-137.4	-178.4	-69.8	129.4	3.3	111.6	A231 D232 A233 N239	A231-R235 WeakPolarHBondContact O-CB 3.31Å; A231-R235 PolarHBondContact O-N 3.22Å; D232-R235 PolarHBondContact O-N 2.84Å; D232-R235 IonicContact OD1-CZ 3.37Å; D232-R235 IonicContact OD1-NH1 3.6Å; D232-R235 PolarHBondContact OD1-NH1 3.18Å; D232-R235 IonicContact OD1-NH2 3.94Å; D232-R235 PolarHBondContact OD1-NH2 2.73Å; A233-R235 VanDerWaalsContact C-N 3.35Å; A233-R235 PolarHBondContact O-N 3.15Å; R235-N239 WeakPolarHBondContact O-CB 3.41Å; R235-N239 VanDerWaalsContact O-CG 3.26Å; R235-N239 PolarHBondContact O-N 3.32Å; R235-N239 PolarHBondContact O-ND2 2.89Å
236	S	68.6	Low	65.7	Low	63 Å²	63	90.3 Å²	90.3	44%	0.441	47%	0.47	S	S	.	.	H	α-helix	trans	-65.5	-45.4	176.1	-173	0	0	0	0	112.3	D232 A233 K234 Y238 N239 K240	D232-S236 WeakPolarHBondContact O-CB 3.45Å; D232-S236 PolarHBondContact O-N 3.26Å; A233-S236 PolarHBondContact O-N 3.09Å; K234-S236 PolarHBondContact O-N 3.4Å; S236-Y238 PolarHBondContact O-N 3.07Å; S236-N239 PolarHBondContact O-N 3.4Å; S236-K240 PolarHBondContact O-N 3.22Å
237	A	73.7	Confident	63.8	Low	65 Å²	65	90.6 Å²	90.6	54%	0.537	48%	0.478	S	S	.	.	H	α-helix	trans	-60.8	-44.2	175.7	0	0	0	0	0	112	A233 K234 N239 K240 G241	A233-A237 PolarHBondContact O-N 3.08Å; K234-A237 PolarHBondContact O-N 3.39Å; A237-N239 PolarHBondContact O-N 3.05Å; A237-K240 PolarHBondContact O-N 3.21Å; A237-G241 PolarHBondContact O-N 3.49Å
238	Y	65.6	Low	61.5	Low	158 Å²	158	96.3 Å²	96.3	62%	0.62	51%	0.508	S	S	*	.	H	α-helix	trans	-60.6	-44.4	175.3	-178.3	-100.5	0	0	0	112.3	K234 S236 K240 G241 L242	K234-Y238 WeakPolarHBondContact O-CB 3.13Å; K234-Y238 PolarHBondContact O-N 2.89Å; S236-Y238 PolarHBondContact O-N 3.07Å; Y238-K240 PolarHBondContact O-N 3.25Å; Y238-G241 PolarHBondContact O-N 3.14Å; Y238-L242 HydrophobicContact CD1-CD1 3.84Å; Y238-L242 HydrophobicContact CE1-CD1 3.26Å; Y238-L242 HydrophobicContact CE1-CG 4.32Å; Y238-L242 PolarHBondContact O-N 3.38Å
239	N	63.4	Low	59.5	Low	86 Å²	86	100.1 Å²	100.1	46%	0.46	54%	0.54	S	S	.	.	H	α-helix	trans	-65.2	-37.3	177.8	-75	-26.9	0	0	0	112.7	R235 S236 A237 L242 Q243	R235-N239 WeakPolarHBondContact O-CB 3.41Å; R235-N239 VanDerWaalsContact O-CG 3.26Å; R235-N239 PolarHBondContact O-N 3.32Å; R235-N239 PolarHBondContact O-ND2 2.89Å; S236-N239 PolarHBondContact O-N 3.4Å; A237-N239 PolarHBondContact O-N 3.05Å; N239-L242 PolarHBondContact O-N 3.14Å; N239-Q243 PolarHBondContact O-N 3.23Å
240	K	68.8	Low	57.3	Low	154 Å²	154	100.5 Å²	100.5	67%	0.67	55%	0.547	S	S	*	.	H	α-helix	trans	-63.3	-41.7	172.4	-78.4	-175.2	177.6	-178.1	0	111.9	S236 A237 Y238 L242 Q243 G244	S236-K240 PolarHBondContact O-N 3.22Å; A237-K240 PolarHBondContact O-N 3.21Å; Y238-K240 PolarHBondContact O-N 3.25Å; K240-L242 VanDerWaalsContact C-N 3.33Å; K240-L242 PolarHBondContact O-N 3.26Å; K240-Q243 PolarHBondContact O-N 2.75Å; K240-G244 PolarHBondContact O-N 3.35Å
241	G	58.9	Low	54.8	Low	42 Å²	42	105.9 Å²	105.9	43%	0.433	56%	0.564	S	S	.	*	H	α-helix	trans	-62.4	-37.4	174.4	0	0	0	0	0	113.3	A237 Y238 G244 K245	A237-G241 PolarHBondContact O-N 3.49Å; Y238-G241 PolarHBondContact O-N 3.14Å; G241-G244 PolarHBondContact O-N 3.14Å; G241-K245 PolarHBondContact O-N 3.05Å
242	L	51.8	Low	52.7	Low	64 Å²	64	112.8 Å²	112.8	34%	0.335	59%	0.589	S	S	.	*	H	α-helix	trans	-67.3	-38	175	-99.7	163	0	0	0	113.1	Y238 N239 K240 K245 R246	Y238-L242 HydrophobicContact CD1-CD1 3.84Å; Y238-L242 HydrophobicContact CE1-CD1 3.26Å; Y238-L242 HydrophobicContact CE1-CG 4.32Å; Y238-L242 PolarHBondContact O-N 3.38Å; N239-L242 PolarHBondContact O-N 3.14Å; K240-L242 VanDerWaalsContact C-N 3.33Å; K240-L242 PolarHBondContact O-N 3.26Å; L242-K245 PolarHBondContact O-N 3.3Å; L242-R246 PolarHBondContact O-N 3.26Å
243	Q	50.1	Low	50.5	Low	141 Å²	141	114.9 Å²	114.9	66%	0.659	61%	0.61	S	S	*	*	H	α-helix	trans	-67.1	-39.8	174.5	-72.7	-171.8	8.7	0	0	111.5	N239 K240 K245 R246 T247	N239-Q243 PolarHBondContact O-N 3.23Å; K240-Q243 PolarHBondContact O-N 2.75Å; Q243-K245 PolarHBondContact O-N 2.96Å; Q243-R246 PolarHBondContact O-N 3.47Å; Q243-T247 PolarHBondContact O-OG1 3.44Å
244	G	50.6	Low	48.1	Very low	46 Å²	46	117.8 Å²	117.8	47%	0.474	62%	0.621	S	S	.	*	H	α-helix	trans	-59	-31.1	173.3	0	0	0	0	0	113.6	K240 G241	K240-G244 PolarHBondContact O-N 3.35Å; G241-G244 PolarHBondContact O-N 3.14Å
245	K	47.5	Very low	45.8	Very low	160 Å²	160	119.4 Å²	119.4	70%	0.696	64%	0.635	S	S	*	*	H	α-helix	trans	-79.1	-20.1	176.2	-70	-178.9	-179.4	-176.3	0	114.1	G241 L242 Q243 T247	G241-K245 PolarHBondContact O-N 3.05Å; L242-K245 PolarHBondContact O-N 3.3Å; Q243-K245 PolarHBondContact O-N 2.96Å; K245-T247 VanDerWaalsContact C-N 3.32Å
246	R	40.5	Very low	43.6	Very low	212 Å²	212	118.8 Å²	118.8	80%	0.8	65%	0.649	S	S	*	*	H	α-helix	trans	-81.2	-11.5	177	-74.8	-176.2	176.7	169.9	-0.3	113.5	L242 Q243	L242-R246 PolarHBondContact O-N 3.26Å; Q243-R246 PolarHBondContact O-N 3.47Å
247	T	35.1	Very low	41.9	Very low	113 Å²	113	120.5 Å²	120.5	69%	0.693	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	1.5	178	-43.4	0	0	0	0	113.3	Q243 K245 A249	Q243-T247 PolarHBondContact O-OG1 3.44Å; K245-T247 VanDerWaalsContact C-N 3.32Å; T247-A249 PolarHBondContact O-N 2.99Å; T247-A249 VanDerWaalsContact O-N 3.08Å
248	I	31.4	Very low	39.5	Very low	137 Å²	137	126.3 Å²	126.3	70%	0.703	67%	0.672	S	S	*	*			trans	-89.4	75.6	179.5	-50.3	176.8	0	0	0	109.3
249	A	29.7	Very low	37.8	Very low	100 Å²	100	126.6 Å²	126.6	83%	0.826	69%	0.685	S	S	*	*			trans	-131	11.3	170.8	0	0	0	0	0	113.1	T247	T247-A249 PolarHBondContact O-N 2.99Å; T247-A249 VanDerWaalsContact O-N 3.08Å
250	S	27.7	Very low	35.9	Very low	103 Å²	103	128.5 Å²	128.5	72%	0.72	70%	0.7	S	S	*	*	S	Bend	trans	-131.3	21.6	-170.2	79.1	0	0	0	0	116.5
251	Y	24.7	Very low	33.9	Very low	182 Å²	182	132 Å²	132	71%	0.714	71%	0.709	S	S	*	*	S	Bend	trans	-152.2	127.9	174	-125.1	-73.9	0	0	0	113.4
252	F	28.1	Very low	32.3	Very low	171 Å²	171	138.2 Å²	138.2	75%	0.75	73%	0.726	S	S	*	*			trans	84.2	70.7	170.8	-48.4	-70.9	0	0	0	117.1
253	S	25.1	Very low	30.9	Very low	115 Å²	115	145.3 Å²	145.3	80%	0.804	75%	0.749	S	S	*	*				-50.4	128.3	124.2	-55.3	0	0	0	0	108.1
254	V	26.6	Very low	29.8	Very low	119 Å²	119	145.4 Å²	145.4	72%	0.721	75%	0.753	S	S	*	*			trans	162	126.7	149.8	157.6	0	0	0	0	109.4
255	D	26.8	Very low	28.6	Very low	155 Å²	155	149.2 Å²	149.2	83%	0.829	76%	0.763	S	S	*	*			trans	85.7	110.7	157	-57.2	-19.6	0	0	0	123.5
256	S	21.6	Very low	27.7	Very low	108 Å²	108	149.3 Å²	149.3	76%	0.755	77%	0.765	S	S	*	*			trans	-73.5	-175.8	159.9	-172.5	0	0	0	0	111
257	P	32.8	Very low	27.1	Very low	100 Å²	100	142.9 Å²	142.9	65%	0.649	77%	0.765	S	S	*	*				-121.7	-174.7	-64.1	36.3	-21.4	0	0	0	110.9
258	K	22.1	Very low	26.7	Very low	186 Å²	186	144.4 Å²	144.4	81%	0.809	77%	0.767	S	S	*	*			trans	97	103	170.1	-58.1	170	178.4	177.2	0	113.5
259	D	29.8	Very low	26.4	Very low	165 Å²	165	144.5 Å²	144.5	88%	0.882	77%	0.774	S	S	*	*				-157.5	139.8	114.7	-111.3	-26.2	0	0	0	113.9
260	T	24.2	Very low	26.4	Very low	126 Å²	126	146.6 Å²	146.6	77%	0.773	77%	0.767	S	S	*	*			trans	-81	127.8	-179.7	-53.2	0	0	0	0	108.3
261	R	26.1	Very low	26.4	Very low	226 Å²	226	149.5 Å²	149.5	85%	0.853	78%	0.775	S	S	*	*			trans	177.2	120.9	139.6	-99.6	156.1	178.7	-171	-1	114.6
262	Q	26.8	Very low	26.4	Very low	173 Å²	173	147.1 Å²	147.1	81%	0.808	77%	0.771	S	S	*	*			trans	52.2	99.5	136.1	-75.6	169.9	-17.6	0	0	119.1	L264	Q262-L264 PolarHBondContact O-N 2.74Å
263	R	21.1	Very low	26.2	Very low	214 Å²	214	145.2 Å²	145.2	81%	0.808	77%	0.774	S	S	*	*			trans	-58.4	121.1	150.7	-80.1	169.6	71.5	168.1	1.3	109.4	D265	R263-D265 IonicContact CZ-OD1 2.78Å; R263-D265 IonicContact NE-OD1 2.82Å; R263-D265 IonicContact NH2-OD1 3.39Å; R263-D265 PolarHBondContact NH2-OD1 3.35Å
264	L	28.1	Very low	26.1	Very low	142 Å²	142	148.3 Å²	148.3	74%	0.743	77%	0.774	S	S	*	*			trans	-100.2	111.1	155	-130.8	88.7	0	0	0	106.7	Q262 H266	Q262-L264 PolarHBondContact O-N 2.74Å; L264-H266 PolarHBondContact O-N 3Å
265	D	25	Very low	26.1	Very low	127 Å²	127	148.3 Å²	148.3	68%	0.679	78%	0.776	S	S	*	*			trans	-75.2	106.1	176.3	-68.7	-47.5	0	0	0	109.2	R263	R263-D265 IonicContact CZ-OD1 2.78Å; R263-D265 IonicContact NE-OD1 2.82Å; R263-D265 IonicContact NH2-OD1 3.39Å; R263-D265 PolarHBondContact NH2-OD1 3.35Å
266	H	28.7	Very low	26.1	Very low	161 Å²	161	149.2 Å²	149.2	75%	0.745	78%	0.78	S	S	*	*			trans	-100.5	120.7	162.3	-83.7	-32.4	0	0	0	109.9	L264 I268	L264-H266 PolarHBondContact O-N 3Å; H266-I268 PolarHBondContact O-N 3.45Å
267	G	26.9	Very low	26.2	Very low	77 Å²	77	155.5 Å²	155.5	79%	0.794	79%	0.787	S	S	*	*			trans	-61.2	119.3	-178.5	0	0	0	0	0	112.5	T269	G267-T269 PolarHBondContact O-N 2.98Å
268	I	27.8	Very low	25.9	Very low	145 Å²	145	156.7 Å²	156.7	74%	0.744	80%	0.795	S	S	*	*			trans	-83.4	99.8	173.5	-59.6	173.2	0	0	0	107.7	H266 Q270	H266-I268 PolarHBondContact O-N 3.45Å; I268-Q270 HydrophobicContact CG2-CB 4.21Å; I268-Q270 HydrophobicContact CG2-CG 4.05Å
269	T	24.9	Very low	25.9	Very low	139 Å²	139	152.9 Å²	152.9	85%	0.853	79%	0.79	S	S	*	*			trans	-96.2	102.3	159	47.3	0	0	0	0	107.4	G267	G267-T269 PolarHBondContact O-N 2.98Å
270	Q	29.6	Very low	25.7	Very low	145 Å²	145	149.9 Å²	149.9	68%	0.678	79%	0.788	S	S	*	*			trans	-133.2	90.7	173.3	-74.8	-169.1	-5.9	0	0	110.9	I268 M272	I268-Q270 HydrophobicContact CG2-CB 4.21Å; I268-Q270 HydrophobicContact CG2-CG 4.05Å; Q270-M272 VanDerWaalsContact C-N 3.27Å; Q270-M272 HydrophobicContact CB-CG 4.33Å; Q270-M272 PolarHBondContact O-N 2.91Å; Q270-M272 VanDerWaalsContact O-N 3.07Å
271	N	27.7	Very low	25.6	Very low	164 Å²	164	154.5 Å²	154.5	88%	0.877	79%	0.792	S	S	*	*			trans	-67.6	85.8	154.4	-85.8	-26.9	0	0	0	108.5	T273	N271-T273 PolarHBondContact O-N 3.21Å
272	M	24.7	Very low	25.6	Very low	131 Å²	131	149.2 Å²	149.2	65%	0.645	79%	0.787	S	S	*	*			trans	-92.7	88.1	170.2	-79.8	-78.1	136.9	0	0	109.4	Q270 F274	Q270-M272 VanDerWaalsContact C-N 3.27Å; Q270-M272 HydrophobicContact CB-CG 4.33Å; Q270-M272 PolarHBondContact O-N 2.91Å; Q270-M272 VanDerWaalsContact O-N 3.07Å; M272-F274 WeakPolarHBondContact O-CD2 3.27Å; M272-F274 PolarHBondContact O-N 3.48Å
273	T	24.7	Very low	25.5	Very low	132 Å²	132	147.3 Å²	147.3	81%	0.81	79%	0.787	S	S	*	*			trans	-75.1	106.7	167.6	-57.6	0	0	0	0	108.4	N271	N271-T273 PolarHBondContact O-N 3.21Å
274	F	23.2	Very low	25.8	Very low	180 Å²	180	146.5 Å²	146.5	79%	0.789	79%	0.792	S	S	*	*			trans	-68.2	132.7	-179.5	-76.8	-89.2	0	0	0	112.2	M272 L276	M272-F274 WeakPolarHBondContact O-CD2 3.27Å; M272-F274 PolarHBondContact O-N 3.48Å; F274-L276 PolarHBondContact O-N 2.77Å
275	P	25.7	Very low	25.5	Very low	119 Å²	119	144.6 Å²	144.6	77%	0.773	79%	0.791	S	S	*	*			trans	-67.1	130.4	174.3	-16.3	28.6	0	0	0	112.2	R277	P275-R277 PolarHBondContact O-N 3.19Å
276	L	26.2	Very low	25.6	Very low	173 Å²	173	143.8 Å²	143.8	91%	0.906	80%	0.795	S	S	*	*			trans	-66.3	107.1	171.6	-70.9	161.2	0	0	0	109.8	F274 P278	F274-L276 PolarHBondContact O-N 2.77Å; L276-P278 WeakPolarHBondContact O-CD 3.47Å
277	R	24.1	Very low	25.5	Very low	241 Å²	241	142.5 Å²	142.5	91%	0.909	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-67.1	120.9	171.5	-92.1	-177.4	171.6	-178.5	-2.3	110.7	P275	P275-R277 PolarHBondContact O-N 3.19Å
278	P	27	Very low	25.4	Very low	125 Å²	125	148.6 Å²	148.6	81%	0.812	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-74.1	126.7	168.9	-8	25.3	0	0	0	109.5	L276 A280	L276-P278 WeakPolarHBondContact O-CD 3.47Å; P278-A280 PolarHBondContact O-N 3.01Å
279	C	22.5	Very low	25.4	Very low	105 Å²	105	147.1 Å²	147.1	71%	0.709	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-72.6	117.7	172.9	48	0	0	0	0	110.1
280	A	24.6	Very low	25.5	Very low	102 Å²	102	145.5 Å²	145.5	84%	0.843	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-74.7	125	173	0	0	0	0	0	109.9	P278	P278-A280 PolarHBondContact O-N 3.01Å
281	W	23.2	Very low	25.4	Very low	223 Å²	223	145.7 Å²	145.7	85%	0.845	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-92.6	146.9	168.4	-70.9	86.1	0	0	0	109.7
282	P	25.4	Very low	25.2	Very low	116 Å²	116	145.9 Å²	145.9	75%	0.753	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-69.9	138.9	-178.2	-12.7	28.1	0	0	0	112
283	T	25.2	Very low	25.2	Very low	132 Å²	132	143.7 Å²	143.7	81%	0.81	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-65.8	132.3	-173.8	-23.9	0	0	0	0	113.1	S285	T283-S285 PolarHBondContact O-N 3.17Å; T283-S285 VanDerWaalsContact O-N 3.17Å
284	E	25.8	Very low	25.2	Very low	198 Å²	198	140.7 Å²	140.7	93%	0.925	77%	0.77	S	S	*	*			trans	-76.6	88.2	174.2	-70.4	-179.9	150.4	0	0	110.6
285	S	23.5	Very low	25.4	Very low	101 Å²	101	141.4 Å²	141.4	71%	0.706	78%	0.775	S	S	*	*			trans	-131.8	64.9	168.7	61.1	0	0	0	0	109.7	T283	T283-S285 PolarHBondContact O-N 3.17Å; T283-S285 VanDerWaalsContact O-N 3.17Å
286	S	26.4	Very low	25.4	Very low	110 Å²	110	143.5 Å²	143.5	77%	0.769	77%	0.774	S	S	*	*	S	Bend	trans	172.2	102.7	160.1	-80.2	0	0	0	0	106.3
287	L	25.9	Very low	25.5	Very low	135 Å²	135	141 Å²	141	71%	0.707	77%	0.766	S	S	*	*			trans	165.2	92.5	151.5	-87.9	160.7	0	0	0	108.5	L289	L287-L289 HydrophobicContact CB-CD1 4.08Å; L287-L289 PolarHBondContact O-N 3.42Å; L287-L289 VanDerWaalsContact O-N 3.12Å
288	Q	25.8	Very low	25.8	Very low	205 Å²	205	139.3 Å²	139.3	96%	0.958	76%	0.76	S	S	*	*			trans	-62.3	105.3	156.6	-75.4	170.8	-30.1	0	0	107.2
289	L	27.7	Very low	26.4	Very low	114 Å²	114	136.3 Å²	136.3	60%	0.597	73%	0.734	S	S	*	*			trans	-87.2	131.9	168.5	-94.5	94.9	0	0	0	108.1	L287	L287-L289 HydrophobicContact CB-CD1 4.08Å; L287-L289 PolarHBondContact O-N 3.42Å; L287-L289 VanDerWaalsContact O-N 3.12Å
290	S	26.3	Very low	27.3	Very low	104 Å²	104	135 Å²	135	73%	0.727	72%	0.72	S	S	*	*			trans	-77.2	126	164.2	67.3	0	0	0	0	110	Q292	S290-Q292 VanDerWaalsContact C-N 3.31Å; S290-Q292 PolarHBondContact O-N 3.27Å
291	D	28.7	Very low	28	Very low	150 Å²	150	131.8 Å²	131.8	80%	0.802	69%	0.69	S	S	*	*			trans	-70.9	75.4	176.9	-75.7	-40.7	0	0	0	112.4	P293	D291-P293 WeakPolarHBondContact O-CD 3.27Å
292	Q	22.4	Very low	29.1	Very low	168 Å²	168	122.3 Å²	122.3	79%	0.785	66%	0.655	S	S	*	*			trans	-111.4	86.9	165.8	-74.5	-82.4	-27.2	0	0	108.1	S290 S294	S290-Q292 VanDerWaalsContact C-N 3.31Å; S290-Q292 PolarHBondContact O-N 3.27Å; Q292-S294 PolarHBondContact O-N 2.79Å
293	P	24.9	Very low	30.1	Very low	85 Å²	85	118.6 Å²	118.6	55%	0.552	63%	0.628	S	S	*	*			trans	-65.4	129.3	173.1	-7.3	22.7	0	0	0	108.2	D291	D291-P293 WeakPolarHBondContact O-CD 3.27Å
294	S	25.2	Very low	31.2	Very low	69 Å²	69	113.2 Å²	113.2	48%	0.483	59%	0.594	S	S	.	*			trans	-52.2	143	169.8	-57.8	0	0	0	0	110.1	Q292 H296	Q292-S294 PolarHBondContact O-N 2.79Å; S294-H296 PolarHBondContact O-N 2.76Å
295	E	26.4	Very low	32.2	Very low	194 Å²	194	105.3 Å²	105.3	91%	0.907	57%	0.565	S	S	*	*			trans	-60.1	41.5	178.7	-66	177.1	134.8	0	0	114.9	V297	E295-V297 PolarHBondContact O-N 2.66Å
296	H	26.5	Very low	34	Very low	164 Å²	164	101.2 Å²	101.2	76%	0.759	54%	0.539	S	S	*	.			trans	-61.2	111.5	149.4	-84.1	-91.6	0	0	0	105.3	S294 R298	S294-H296 PolarHBondContact O-N 2.76Å; H296-R298 PolarHBondContact O-N 2.96Å
297	V	29	Very low	35.6	Very low	120 Å²	120	96.5 Å²	96.5	73%	0.727	51%	0.506	S	S	*	.			trans	-51.2	90.3	166.8	178.3	0	0	0	0	106.3	E295 F299	E295-V297 PolarHBondContact O-N 2.66Å; V297-F299 VanDerWaalsContact C-N 3.25Å; V297-F299 HydrophobicContact CG1-CD2 4.15Å; V297-F299 HydrophobicContact CG1-CE2 4.33Å; V297-F299 PolarHBondContact O-N 2.62Å
298	R	30.3	Very low	37.4	Very low	205 Å²	205	90.5 Å²	90.5	77%	0.774	47%	0.474	S	S	*	.			trans	-67.5	98.4	170.7	-88.7	-170.5	168.2	135.4	-3.8	103.6	H296 D300	H296-R298 PolarHBondContact O-N 2.96Å; R298-D300 PolarHBondContact O-N 3.06Å
299	F	38.8	Very low	39.2	Very low	62 Å²	62	81.5 Å²	81.5	27%	0.272	43%	0.434	S	S	.	.			trans	-52.6	129.2	173.2	-107.4	-98.7	0	0	0	107.7	V297 P301 M303 Y304 A315	V297-F299 VanDerWaalsContact C-N 3.25Å; V297-F299 HydrophobicContact CG1-CD2 4.15Å; V297-F299 HydrophobicContact CG1-CE2 4.33Å; V297-F299 PolarHBondContact O-N 2.62Å; F299-P301 WeakPolarHBondContact O-CD 3.47Å; F299-P301 VanDerWaalsContact O-N 3.09Å; F299-M303 HydrophobicContact CD1-CE 3.99Å; F299-M303 HydrophobicContact CE1-CE 3.78Å; F299-Y304 HydrophobicContact CB-CE2 4.09Å; F299-A315 HydrophobicContact CE1-CB 4.35Å; F299-A315 HydrophobicContact CE2-CB 3.83Å; F299-A315 HydrophobicContact CZ-CB 3.67Å
300	D	42.3	Very low	40.9	Very low	77 Å²	77	78.3 Å²	78.3	41%	0.412	42%	0.42	S	S	.	.			trans	-51.7	118.3	-178.9	-171.3	-23.1	0	0	0	109.2	R298 Q302 M303	R298-D300 PolarHBondContact O-N 3.06Å; D300-Q302 PolarHBondContact O-N 3Å; D300-Q302 WeakPolarHBondContact OD1-CG 3.29Å; D300-Q302 PolarHBondContact OD1-N 2.9Å; D300-Q302 VanDerWaalsContact OD1-N 3.14Å; D300-M303 HydrophobicContact CB-CG 4.18Å; D300-M303 WeakPolarHBondContact O-CB 3.34Å; D300-M303 PolarHBondContact O-N 3.1Å
301	P	39.1	Very low	42.6	Very low	35 Å²	35	77.3 Å²	77.3	23%	0.227	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-49.7	-27.2	-179.3	-30.4	36.7	0	0	0	113.8	F299 M303 Y304 L671 I774 Y776	F299-P301 WeakPolarHBondContact O-CD 3.47Å; F299-P301 VanDerWaalsContact O-N 3.09Å; P301-M303 VanDerWaalsContact C-N 3.29Å; P301-M303 PolarHBondContact O-N 3.42Å; P301-Y304 WeakPolarHBondContact O-CD2 3.2Å; P301-Y304 PolarHBondContact O-N 3.4Å; P301-L671 WeakPolarHBondContact O-CD1 3.42Å; P301-I774 HydrophobicContact CB-CB 4.35Å; P301-Y776 HydrophobicContact CB-CE1 4.41Å
302	Q	46.8	Very low	44.2	Very low	24 Å²	24	71.4 Å²	71.4	11%	0.112	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-66.4	-29.1	178.6	-61.3	178.1	15.3	0	0	112.9	D300 Y304 V602 T674	D300-Q302 PolarHBondContact O-N 3Å; D300-Q302 WeakPolarHBondContact OD1-CG 3.29Å; D300-Q302 PolarHBondContact OD1-N 2.9Å; D300-Q302 VanDerWaalsContact OD1-N 3.14Å; Q302-Y304 PolarHBondContact O-N 2.88Å; Q302-V602 HydrophobicContact CG-CG1 4.32Å; Q302-T674 VanDerWaalsContact O-CG2 3.26Å; Q302-T674 WeakPolarHBondContact O-CG2 3.47Å
303	M	46.3	Very low	46.2	Very low	38 Å²	38	63.8 Å²	63.8	19%	0.187	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-65.1	-26.7	-178.1	-72.2	-108.7	-103	0	0	112.9	F299 D300 P301 G305 G306 L308 Q312 R594	F299-M303 HydrophobicContact CD1-CE 3.99Å; F299-M303 HydrophobicContact CE1-CE 3.78Å; D300-M303 HydrophobicContact CB-CG 4.18Å; D300-M303 WeakPolarHBondContact O-CB 3.34Å; D300-M303 PolarHBondContact O-N 3.1Å; P301-M303 VanDerWaalsContact C-N 3.29Å; P301-M303 PolarHBondContact O-N 3.42Å; M303-G305 PolarHBondContact O-N 3.1Å; M303-G306 PolarHBondContact O-N 2.97Å; M303-L308 WeakPolarHBondContact O-CD2 3.23Å; M303-Q312 HydrophobicContact CE-CG 4.25Å; M303-Q312 PolarHBondContact SD-NE2 3.01Å; M303-R594 PolarHBondContact SD-NH1 2.96Å; M303-R594 VanDerWaalsContact SD-NH1 3.44Å
304	Y	46.6	Very low	47.9	Very low	20 Å²	20	62.7 Å²	62.7	8%	0.078	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-69.1	-15.6	-172.4	-70.9	-92	0	0	0	114.5	F299 P301 Q302 I316 D319 V772 I774	F299-Y304 HydrophobicContact CB-CE2 4.09Å; P301-Y304 WeakPolarHBondContact O-CD2 3.2Å; P301-Y304 PolarHBondContact O-N 3.4Å; Q302-Y304 PolarHBondContact O-N 2.88Å; Y304-I316 HydrophobicContact CD1-CB 4.22Å; Y304-I316 HydrophobicContact CD1-CD1 3.96Å; Y304-I316 HydrophobicContact CD1-CG1 3.76Å; Y304-I316 HydrophobicContact CD1-CG2 3.55Å; Y304-I316 HydrophobicContact CE1-CB 4.06Å; Y304-I316 HydrophobicContact CE1-CD1 4.36Å; Y304-I316 HydrophobicContact CE1-CG1 3.67Å; Y304-I316 HydrophobicContact CE1-CG2 3.65Å; Y304-I316 HydrophobicContact CG-CD1 4.35Å; Y304-D319 PolarHBondContact OH-OD2 3.3Å; Y304-V772 VanDerWaalsContact CB-O 3.28Å; Y304-V772 WeakPolarHBondContact CB-O 3.23Å; Y304-V772 HydrophobicContact CD1-CG1 3.52Å; Y304-V772 HydrophobicContact CE1-CG1 4.44Å; Y304-V772 HydrophobicContact CG-CG1 4.26Å; Y304-I774 HydrophobicContact CD2-CD1 3.9Å; Y304-I774 HydrophobicContact CD2-CG1 4.45Å; Y304-I774 HydrophobicContact CE1-CD1 4.31Å; Y304-I774 HydrophobicContact CE2-CD1 3.39Å; Y304-I774 HydrophobicContact CE2-CG1 4.35Å
305	G	48.6	Very low	49.5	Very low	32 Å²	32	60.6 Å²	60.6	33%	0.33	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-111.6	2.4	-178	0	0	0	0	0	115.8	M303 N669	M303-G305 PolarHBondContact O-N 3.1Å; G305-N669 VanDerWaalsContact C-CG 3.43Å; G305-N669 VanDerWaalsContact CA-OD1 3.26Å; G305-N669 WeakPolarHBondContact CA-OD1 3.27Å; G305-N669 VanDerWaalsContact O-CB 3.28Å; G305-N669 WeakPolarHBondContact O-CB 3.24Å; G305-N669 PolarHBondContact O-OD1 3.35Å
306	G	59.4	Low	51.2	Low	15 Å²	15	51.5 Å²	51.5	16%	0.155	28%	0.275	C	S	.	.	S	Bend	trans	-101.9	-170.2	-177.1	0	0	0	0	0	114.6	M303 L308	M303-G306 PolarHBondContact O-N 2.97Å; G306-L308 PolarHBondContact O-N 2.98Å
307	C	61.7	Low	52.7	Low	10 Å²	10	45.1 Å²	45.1	7%	0.068	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-67.7	117.4	171.1	-37	0	0	0	0	108.6	R594 I676 A677 G678	C307-R594 PolarHBondContact O-NH2 3.44Å; C307-R594 VanDerWaalsContact O-NH2 3.08Å; C307-I676 HydrophobicContact CB-CD1 4.42Å; C307-I676 HydrophobicContact CB-CG1 4.24Å; C307-I676 HydrophobicContact CB-CG2 3.79Å; C307-A677 WeakPolarHBondContact SG-CA 3.49Å; C307-A677 PolarHBondContact SG-O 3.41Å; C307-G678 VanDerWaalsContact SG-C 3.6Å; C307-G678 PolarHBondContact SG-N 2.95Å; C307-G678 PolarHBondContact SG-O 2.99Å
308	L	63.9	Low	54.1	Low	9 Å²	9	45.9 Å²	45.9	5%	0.047	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-97	124	-175.1	-62.8	179	0	0	0	111	M303 G306 Q312 L313 I316 W616 Y681 L682	M303-L308 WeakPolarHBondContact O-CD2 3.23Å; G306-L308 PolarHBondContact O-N 2.98Å; L308-Q312 HydrophobicContact CD2-CB 4.29Å; L308-L313 HydrophobicContact CB-CB 4.22Å; L308-L313 HydrophobicContact CD1-CB 4.49Å; L308-L313 HydrophobicContact CD1-CD1 3.77Å; L308-I316 HydrophobicContact CD1-CD1 3.92Å; L308-I316 HydrophobicContact CD2-CD1 3.47Å; L308-I316 VanDerWaalsContact CD2-CD1 3.47Å; L308-I316 HydrophobicContact CG-CD1 4.35Å; L308-W616 WeakPolarHBondContact O-CZ3 3.49Å; L308-Y681 PolarHBondContact O-N 3.17Å; L308-L682 HydrophobicContact CD1-CD1 4.35Å
309	T	63.4	Low	55.5	Low	17 Å²	17	39.1 Å²	39.1	10%	0.104	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-64.8	160.9	165.2	71.2	0	0	0	0	110.6	V311 Q312 L313 V589 W616	T309-V311 VanDerWaalsContact C-N 3.25Å; T309-V311 PolarHBondContact O-N 3.03Å; T309-Q312 VanDerWaalsContact N-OE1 3.1Å; T309-Q312 PolarHBondContact O-N 3.12Å; T309-Q312 VanDerWaalsContact OG1-CG 3.24Å; T309-Q312 WeakPolarHBondContact OG1-CG 3.44Å; T309-Q312 PolarHBondContact OG1-N 3.23Å; T309-Q312 PolarHBondContact OG1-OE1 2.72Å; T309-L313 WeakPolarHBondContact O-CB 3.16Å; T309-L313 PolarHBondContact O-N 3.09Å; T309-V589 HydrophobicContact CG2-CG1 4.26Å; T309-W616 HydrophobicContact CG2-CH2 4.28Å; T309-W616 HydrophobicContact CG2-CZ2 4.45Å; T309-W616 HydrophobicContact CG2-CZ3 4.34Å
310	S	61.7	Low	56.4	Low	46 Å²	46	37 Å²	37	32%	0.322	21%	0.207	S	C	.	.	H	α-helix	trans	-55.8	-41.9	178.6	51.8	0	0	0	0	112.2	I314	S310-I314 VanDerWaalsContact O-CG1 3.3Å; S310-I314 WeakPolarHBondContact O-CG1 3.33Å; S310-I314 PolarHBondContact O-N 3.26Å; S310-I314 VanDerWaalsContact O-N 3.11Å
311	V	62.4	Low	57.1	Low	84 Å²	84	35.1 Å²	35.1	51%	0.509	19%	0.194	S	C	.	.	H	α-helix	trans	-64.8	-46.1	177.6	-177.5	0	0	0	0	111.3	T309 I314 A315	T309-V311 VanDerWaalsContact C-N 3.25Å; T309-V311 PolarHBondContact O-N 3.03Å; V311-I314 PolarHBondContact O-N 3.45Å; V311-A315 PolarHBondContact O-N 3.4Å
312	Q	63.9	Low	58	Low	25 Å²	25	37.7 Å²	37.7	12%	0.117	21%	0.205	C	C	.	.	H	α-helix	trans	-63.7	-42.3	178.7	-72.1	170.5	-17.2	0	0	111.8	M303 L308 T309 I314 A315 I316	M303-Q312 HydrophobicContact CE-CG 4.25Å; M303-Q312 PolarHBondContact SD-NE2 3.01Å; L308-Q312 HydrophobicContact CD2-CB 4.29Å; T309-Q312 VanDerWaalsContact N-OE1 3.1Å; T309-Q312 PolarHBondContact O-N 3.12Å; T309-Q312 VanDerWaalsContact OG1-CG 3.24Å; T309-Q312 WeakPolarHBondContact OG1-CG 3.44Å; T309-Q312 PolarHBondContact OG1-N 3.23Å; T309-Q312 PolarHBondContact OG1-OE1 2.72Å; Q312-I314 PolarHBondContact O-N 2.85Å; Q312-A315 PolarHBondContact O-N 3.09Å; Q312-I316 WeakPolarHBondContact O-CB 3.48Å; Q312-I316 WeakPolarHBondContact O-CG1 3.46Å; Q312-I316 PolarHBondContact O-N 3.04Å
313	L	63.4	Low	58.4	Low	9 Å²	9	39.9 Å²	39.9	5%	0.047	22%	0.216	C	C	.	.	H	α-helix	trans	-59.9	-47.8	176.9	-178.5	61.5	0	0	0	110.8	L308 T309 A315 I316 L317 Y681 L682 F724	L308-L313 HydrophobicContact CB-CB 4.22Å; L308-L313 HydrophobicContact CD1-CB 4.49Å; L308-L313 HydrophobicContact CD1-CD1 3.77Å; T309-L313 WeakPolarHBondContact O-CB 3.16Å; T309-L313 PolarHBondContact O-N 3.09Å; L313-A315 VanDerWaalsContact C-N 3.33Å; L313-A315 PolarHBondContact O-N 2.9Å; L313-I316 PolarHBondContact O-N 3.45Å; L313-L317 HydrophobicContact CD1-CD1 4.02Å; L313-L317 HydrophobicContact CD1-CG 4.12Å; L313-L317 HydrophobicContact CG-CD1 4.04Å; L313-L317 HydrophobicContact CG-CG 4.45Å; L313-L317 WeakPolarHBondContact O-CB 3.39Å; L313-L317 WeakPolarHBondContact O-CG 3.29Å; L313-L317 PolarHBondContact O-N 3.19Å; L313-Y681 HydrophobicContact CD2-CD1 3.58Å; L313-Y681 HydrophobicContact CD2-CE1 4.33Å; L313-Y681 HydrophobicContact CD2-CG 4.38Å; L313-L682 HydrophobicContact CD1-CD2 3.82Å; L313-L682 HydrophobicContact CD2-CD2 4.19Å; L313-F724 HydrophobicContact CD2-CZ 4.49Å
314	I	59.6	Low	58.9	Low	62 Å²	62	39.8 Å²	39.8	32%	0.318	22%	0.216	S	C	.	.	H	α-helix	trans	-60.8	-42.8	178.5	-67.5	165.8	0	0	0	111.2	S310 V311 Q312 L317 R318	S310-I314 VanDerWaalsContact O-CG1 3.3Å; S310-I314 WeakPolarHBondContact O-CG1 3.33Å; S310-I314 PolarHBondContact O-N 3.26Å; S310-I314 VanDerWaalsContact O-N 3.11Å; V311-I314 PolarHBondContact O-N 3.45Å; Q312-I314 PolarHBondContact O-N 2.85Å; I314-L317 PolarHBondContact O-N 3.47Å; I314-R318 WeakPolarHBondContact O-CG 3.46Å; I314-R318 PolarHBondContact O-N 3.08Å; I314-R318 VanDerWaalsContact O-N 3.1Å
315	A	59	Low	59.4	Low	24 Å²	24	41.2 Å²	41.2	20%	0.198	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-49.5	179.3	0	0	0	0	0	112.4	F299 V311 Q312 L313 L317 R318 D319	F299-A315 HydrophobicContact CE1-CB 4.35Å; F299-A315 HydrophobicContact CE2-CB 3.83Å; F299-A315 HydrophobicContact CZ-CB 3.67Å; V311-A315 PolarHBondContact O-N 3.4Å; Q312-A315 PolarHBondContact O-N 3.09Å; L313-A315 VanDerWaalsContact C-N 3.33Å; L313-A315 PolarHBondContact O-N 2.9Å; A315-L317 VanDerWaalsContact C-N 3.28Å; A315-L317 PolarHBondContact O-N 3.29Å; A315-R318 PolarHBondContact O-N 3.41Å; A315-R318 VanDerWaalsContact O-N 3.16Å; A315-D319 PolarHBondContact O-N 3.14Å
316	I	62	Low	59.8	Low	4 Å²	4	45.5 Å²	45.5	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-58.2	-42.7	177.3	-73.1	168.8	0	0	0	110.8	Y304 L308 Q312 L313 R318 D319 K320 V772	Y304-I316 HydrophobicContact CD1-CB 4.22Å; Y304-I316 HydrophobicContact CD1-CD1 3.96Å; Y304-I316 HydrophobicContact CD1-CG1 3.76Å; Y304-I316 HydrophobicContact CD1-CG2 3.55Å; Y304-I316 HydrophobicContact CE1-CB 4.06Å; Y304-I316 HydrophobicContact CE1-CD1 4.36Å; Y304-I316 HydrophobicContact CE1-CG1 3.67Å; Y304-I316 HydrophobicContact CE1-CG2 3.65Å; Y304-I316 HydrophobicContact CG-CD1 4.35Å; L308-I316 HydrophobicContact CD1-CD1 3.92Å; L308-I316 HydrophobicContact CD2-CD1 3.47Å; L308-I316 VanDerWaalsContact CD2-CD1 3.47Å; L308-I316 HydrophobicContact CG-CD1 4.35Å; Q312-I316 WeakPolarHBondContact O-CB 3.48Å; Q312-I316 WeakPolarHBondContact O-CG1 3.46Å; Q312-I316 PolarHBondContact O-N 3.04Å; L313-I316 PolarHBondContact O-N 3.45Å; I316-R318 VanDerWaalsContact C-N 3.32Å; I316-R318 PolarHBondContact O-N 3.36Å; I316-D319 PolarHBondContact O-N 2.92Å; I316-K320 HydrophobicContact CG2-CG 4.36Å; I316-K320 WeakPolarHBondContact O-CB 3.12Å; I316-K320 VanDerWaalsContact O-CG 3.3Å; I316-K320 WeakPolarHBondContact O-CG 3.49Å; I316-K320 PolarHBondContact O-N 3.25Å; I316-V772 HydrophobicContact CG2-CG1 3.92Å
317	L	59.2	Low	59.4	Low	30 Å²	30	46.8 Å²	46.8	16%	0.157	24%	0.242	C	C	.	.	H	α-helix	trans	-67.7	-32.1	-179.7	-69.7	-176.9	0	0	0	113.2	L313 I314 A315 Y321 L690 F716	L313-L317 HydrophobicContact CD1-CD1 4.02Å; L313-L317 HydrophobicContact CD1-CG 4.12Å; L313-L317 HydrophobicContact CG-CD1 4.04Å; L313-L317 HydrophobicContact CG-CG 4.45Å; L313-L317 WeakPolarHBondContact O-CB 3.39Å; L313-L317 WeakPolarHBondContact O-CG 3.29Å; L313-L317 PolarHBondContact O-N 3.19Å; I314-L317 PolarHBondContact O-N 3.47Å; A315-L317 VanDerWaalsContact C-N 3.28Å; A315-L317 PolarHBondContact O-N 3.29Å; L317-Y321 VanDerWaalsContact O-CB 3.23Å; L317-Y321 WeakPolarHBondContact O-CB 3.1Å; L317-Y321 PolarHBondContact O-N 3.45Å; L317-L690 HydrophobicContact CD1-CD2 4.09Å; L317-L690 HydrophobicContact CD2-CD2 3.28Å; L317-L690 HydrophobicContact CG-CD2 4.24Å; L317-F716 HydrophobicContact CD1-CD1 4.23Å; L317-F716 HydrophobicContact CD1-CD2 3.39Å; L317-F716 HydrophobicContact CD1-CE1 4.27Å; L317-F716 HydrophobicContact CD1-CE2 3.42Å; L317-F716 VanDerWaalsContact CD1-CE2 3.42Å; L317-F716 HydrophobicContact CD1-CG 3.81Å; L317-F716 HydrophobicContact CD1-CZ 3.89Å
318	R	57.5	Low	58.9	Low	136 Å²	136	48 Å²	48	51%	0.513	25%	0.248	S	C	.	.	H	α-helix	trans	-68.3	-51.5	173.7	-74.6	174.6	176.5	176	-0.4	111.2	I314 A315 I316 K320 Y321 D322	I314-R318 WeakPolarHBondContact O-CG 3.46Å; I314-R318 PolarHBondContact O-N 3.08Å; I314-R318 VanDerWaalsContact O-N 3.1Å; A315-R318 PolarHBondContact O-N 3.41Å; A315-R318 VanDerWaalsContact O-N 3.16Å; I316-R318 VanDerWaalsContact C-N 3.32Å; I316-R318 PolarHBondContact O-N 3.36Å; R318-K320 VanDerWaalsContact C-N 3.32Å; R318-K320 PolarHBondContact O-N 3.41Å; R318-Y321 WeakPolarHBondContact O-CA 3.36Å; R318-Y321 WeakPolarHBondContact O-CB 3.36Å; R318-Y321 PolarHBondContact O-N 3.29Å; R318-D322 PolarHBondContact O-N 3.15Å
319	D	59.3	Low	58.6	Low	63 Å²	63	50.2 Å²	50.2	34%	0.337	27%	0.267	S	S	.	.	H	α-helix	trans	-56.1	-46.3	177.9	-178.1	58.7	0	0	0	111.7	Y304 A315 I316 Y321 D322 E323	Y304-D319 PolarHBondContact OH-OD2 3.3Å; A315-D319 PolarHBondContact O-N 3.14Å; I316-D319 PolarHBondContact O-N 2.92Å; D319-Y321 VanDerWaalsContact C-N 3.32Å; D319-Y321 PolarHBondContact O-N 3.22Å; D319-D322 PolarHBondContact O-N 3.3Å; D319-E323 PolarHBondContact O-N 3.48Å
320	K	58.1	Low	58	Low	18 Å²	18	54.6 Å²	54.6	8%	0.078	29%	0.288	C	S	.	.	H	α-helix	trans	-70.7	-25.7	176	-63.9	-50.2	-177.9	-166.8	0	114.1	I316 R318 E323 L324 V772	I316-K320 HydrophobicContact CG2-CG 4.36Å; I316-K320 WeakPolarHBondContact O-CB 3.12Å; I316-K320 VanDerWaalsContact O-CG 3.3Å; I316-K320 WeakPolarHBondContact O-CG 3.49Å; I316-K320 PolarHBondContact O-N 3.25Å; R318-K320 VanDerWaalsContact C-N 3.32Å; R318-K320 PolarHBondContact O-N 3.41Å; K320-E323 WeakPolarHBondContact CD-OE2 3.39Å; K320-E323 IonicContact NZ-OE1 3.36Å; K320-E323 PolarHBondContact NZ-OE1 2.89Å; K320-E323 IonicContact NZ-OE2 3.43Å; K320-E323 PolarHBondContact NZ-OE2 3.34Å; K320-L324 VanDerWaalsContact O-CB 3.3Å; K320-L324 WeakPolarHBondContact O-CB 3.36Å; K320-L324 PolarHBondContact O-N 2.63Å; K320-V772 HydrophobicContact CG-CG1 4.47Å; K320-V772 HydrophobicContact CG-CG2 4.39Å
321	Y	57.3	Low	57.5	Low	37 Å²	37	57 Å²	57	15%	0.145	29%	0.294	C	S	.	.	H	α-helix	trans	-68.3	-42.8	171.8	176.2	-117.3	0	0	0	111.1	L317 R318 D319 L324 L325 K692	L317-Y321 VanDerWaalsContact O-CB 3.23Å; L317-Y321 WeakPolarHBondContact O-CB 3.1Å; L317-Y321 PolarHBondContact O-N 3.45Å; R318-Y321 WeakPolarHBondContact O-CA 3.36Å; R318-Y321 WeakPolarHBondContact O-CB 3.36Å; R318-Y321 PolarHBondContact O-N 3.29Å; D319-Y321 VanDerWaalsContact C-N 3.32Å; D319-Y321 PolarHBondContact O-N 3.22Å; Y321-L324 PolarHBondContact O-N 3.33Å; Y321-L325 HydrophobicContact CE1-CD2 4.37Å; Y321-L325 VanDerWaalsContact O-CB 3.3Å; Y321-L325 WeakPolarHBondContact O-CB 3.37Å; Y321-L325 PolarHBondContact O-N 2.84Å; Y321-K692 HydrophobicContact CD2-CD 3.37Å; Y321-K692 VanDerWaalsContact CD2-CE 3.45Å; Y321-K692 HydrophobicContact CE2-CD 3.49Å; Y321-K692 VanDerWaalsContact CE2-CD 3.49Å; Y321-K692 HydrophobicContact CG-CD 4.43Å
322	D	57.6	Low	57	Low	88 Å²	88	53.9 Å²	53.9	47%	0.471	28%	0.276	S	S	.	.	H	α-helix	trans	-62.4	-45.6	176.7	-65.9	-23.9	0	0	0	110.1	R318 D319 L324 L325 E326	R318-D322 PolarHBondContact O-N 3.15Å; D319-D322 PolarHBondContact O-N 3.3Å; D322-L324 PolarHBondContact O-N 3.3Å; D322-L325 PolarHBondContact O-N 3.13Å; D322-E326 WeakPolarHBondContact O-CB 3.44Å; D322-E326 WeakPolarHBondContact O-CG 3.11Å; D322-E326 PolarHBondContact O-N 2.72Å
323	E	56.5	Low	56.6	Low	71 Å²	71	55 Å²	55	33%	0.332	28%	0.284	S	S	.	.	H	α-helix	trans	-58.6	-43.5	172.8	-72.2	-178.6	-173.2	0	0	113	D319 K320 E326 C327	D319-E323 PolarHBondContact O-N 3.48Å; K320-E323 WeakPolarHBondContact CD-OE2 3.39Å; K320-E323 IonicContact NZ-OE1 3.36Å; K320-E323 PolarHBondContact NZ-OE1 2.89Å; K320-E323 IonicContact NZ-OE2 3.43Å; K320-E323 PolarHBondContact NZ-OE2 3.34Å; E323-E326 PolarHBondContact O-N 2.99Å; E323-C327 WeakPolarHBondContact O-CB 3.16Å; E323-C327 PolarHBondContact O-N 3.19Å
324	L	55.3	Low	55.8	Low	36 Å²	36	56.7 Å²	56.7	19%	0.188	30%	0.299	C	S	.	.	H	α-helix	trans	-66.6	-39.7	179	-176.2	71	0	0	0	111.2	K320 Y321 D322 C327 L328 K692 V768	K320-L324 VanDerWaalsContact O-CB 3.3Å; K320-L324 WeakPolarHBondContact O-CB 3.36Å; K320-L324 PolarHBondContact O-N 2.63Å; Y321-L324 PolarHBondContact O-N 3.33Å; D322-L324 PolarHBondContact O-N 3.3Å; L324-C327 PolarHBondContact O-N 3.44Å; L324-L328 WeakPolarHBondContact O-CB 2.85Å; L324-L328 PolarHBondContact O-N 2.76Å; L324-K692 HydrophobicContact CD2-CB 4.27Å; L324-V768 HydrophobicContact CD1-CB 4.4Å; L324-V768 HydrophobicContact CD1-CG1 4.16Å
325	L	56.9	Low	55.2	Low	49 Å²	49	58.3 Å²	58.3	26%	0.257	31%	0.308	S	S	.	.	H	α-helix	trans	-67.7	-40.1	179.4	-168.9	64.4	0	0	0	110.7	Y321 D322 L328 A329	Y321-L325 HydrophobicContact CE1-CD2 4.37Å; Y321-L325 VanDerWaalsContact O-CB 3.3Å; Y321-L325 WeakPolarHBondContact O-CB 3.37Å; Y321-L325 PolarHBondContact O-N 2.84Å; D322-L325 PolarHBondContact O-N 3.13Å; L325-L328 PolarHBondContact O-N 3.36Å; L325-A329 WeakPolarHBondContact O-CB 3.26Å; L325-A329 PolarHBondContact O-N 2.77Å
326	E	57.5	Low	55.1	Low	123 Å²	123	60.1 Å²	60.1	58%	0.575	31%	0.313	S	S	*	.	H	α-helix	trans	-60.5	-48.6	170.7	-74.3	-178.4	178.5	0	0	111.5	D322 E323 L328 A329 M330	D322-E326 WeakPolarHBondContact O-CB 3.44Å; D322-E326 WeakPolarHBondContact O-CG 3.11Å; D322-E326 PolarHBondContact O-N 2.72Å; E323-E326 PolarHBondContact O-N 2.99Å; E326-L328 VanDerWaalsContact C-N 3.32Å; E326-L328 PolarHBondContact O-N 2.82Å; E326-A329 WeakPolarHBondContact O-CB 3.26Å; E326-A329 PolarHBondContact O-N 2.88Å; E326-M330 WeakPolarHBondContact O-CG 3.41Å; E326-M330 PolarHBondContact O-N 3.37Å
327	C	50.8	Low	54.8	Low	42 Å²	42	64.9 Å²	64.9	28%	0.284	34%	0.335	S	S	.	.	H	α-helix	trans	-61.1	-39.3	177.6	-172.4	0	0	0	0	112.2	E323 L324 M330 H331	E323-C327 WeakPolarHBondContact O-CB 3.16Å; E323-C327 PolarHBondContact O-N 3.19Å; L324-C327 PolarHBondContact O-N 3.44Å; C327-M330 PolarHBondContact O-N 3.36Å; C327-H331 PolarHBondContact O-N 3.33Å; C327-H331 PolarHBondContact O-ND1 2.82Å; C327-H331 VanDerWaalsContact SG-CE1 3.52Å
328	L	52.2	Low	54.4	Low	36 Å²	36	67.5 Å²	67.5	19%	0.188	35%	0.348	C	S	.	.	H	α-helix	trans	-66.5	-42.7	175.7	-178.8	64.3	0	0	0	111.4	L324 L325 E326 M330 H331 C332 V694 L696	L324-L328 WeakPolarHBondContact O-CB 2.85Å; L324-L328 PolarHBondContact O-N 2.76Å; L325-L328 PolarHBondContact O-N 3.36Å; E326-L328 VanDerWaalsContact C-N 3.32Å; E326-L328 PolarHBondContact O-N 2.82Å; L328-M330 VanDerWaalsContact C-N 3.31Å; L328-M330 PolarHBondContact O-N 2.78Å; L328-H331 PolarHBondContact O-N 3.32Å; L328-C332 WeakPolarHBondContact O-CB 3.39Å; L328-C332 PolarHBondContact O-N 2.84Å; L328-C332 PolarHBondContact O-SG 3.12Å; L328-C332 VanDerWaalsContact O-SG 3.33Å; L328-V694 HydrophobicContact CD2-CB 4.15Å; L328-V694 HydrophobicContact CD2-CG1 3.74Å; L328-V694 HydrophobicContact CD2-CG2 4.26Å; L328-L696 HydrophobicContact CD1-CD1 4.48Å; L328-L696 HydrophobicContact CD2-CD2 4.34Å
329	A	57.4	Low	54.2	Low	55 Å²	55	64.2 Å²	64.2	46%	0.455	34%	0.34	S	S	.	.	H	α-helix	trans	-60.6	-41.6	175.2	0	0	0	0	0	111.4	L325 E326 C332 T333	L325-A329 WeakPolarHBondContact O-CB 3.26Å; L325-A329 PolarHBondContact O-N 2.77Å; E326-A329 WeakPolarHBondContact O-CB 3.26Å; E326-A329 PolarHBondContact O-N 2.88Å; A329-C332 PolarHBondContact O-N 3.05Å; A329-T333 WeakPolarHBondContact O-CG2 3.5Å; A329-T333 PolarHBondContact O-N 2.94Å; A329-T333 PolarHBondContact O-OG1 3.42Å
330	M	51.4	Low	54.5	Low	109 Å²	109	65.3 Å²	65.3	54%	0.537	34%	0.341	S	S	.	.	H	α-helix	trans	-61	-46.2	172.5	-70.8	176.1	66.4	0	0	112	E326 C327 L328 C332 T333 A334	E326-M330 WeakPolarHBondContact O-CG 3.41Å; E326-M330 PolarHBondContact O-N 3.37Å; C327-M330 PolarHBondContact O-N 3.36Å; L328-M330 VanDerWaalsContact C-N 3.31Å; L328-M330 PolarHBondContact O-N 2.78Å; M330-C332 PolarHBondContact O-N 3.26Å; M330-T333 WeakPolarHBondContact CA-OG1 3.28Å; M330-T333 PolarHBondContact O-N 2.81Å; M330-T333 PolarHBondContact O-OG1 3.4Å; M330-A334 WeakPolarHBondContact O-CB 3.5Å; M330-A334 PolarHBondContact O-N 2.69Å
331	H	49.4	Very low	54.5	Low	96 Å²	96	68.4 Å²	68.4	44%	0.444	36%	0.358	S	S	.	.	H	α-helix	trans	-63.2	-41.6	177.2	-79.8	104.1	0	0	0	112.8	C327 L328 A334 L335	C327-H331 PolarHBondContact O-N 3.33Å; C327-H331 PolarHBondContact O-ND1 2.82Å; C327-H331 VanDerWaalsContact SG-CE1 3.52Å; L328-H331 PolarHBondContact O-N 3.32Å; H331-A334 PolarHBondContact O-N 3.36Å; H331-L335 WeakPolarHBondContact O-CB 3.41Å; H331-L335 WeakPolarHBondContact O-CG 3.44Å; H331-L335 PolarHBondContact O-N 2.98Å
332	C	52	Low	54.3	Low	19 Å²	19	73.7 Å²	73.7	13%	0.128	38%	0.382	C	S	.	.	H	α-helix	trans	-63.2	-41.6	176.4	-72.9	0	0	0	0	112	L328 A329 M330 H336 I705	L328-C332 WeakPolarHBondContact O-CB 3.39Å; L328-C332 PolarHBondContact O-N 2.84Å; L328-C332 PolarHBondContact O-SG 3.12Å; L328-C332 VanDerWaalsContact O-SG 3.33Å; A329-C332 PolarHBondContact O-N 3.05Å; M330-C332 PolarHBondContact O-N 3.26Å; C332-H336 PolarHBondContact O-N 3.3Å; C332-H336 PolarHBondContact O-ND1 3.17Å; C332-I705 HydrophobicContact CB-CD1 3.63Å; C332-I705 WeakPolarHBondContact SG-CD1 3.3Å
333	T	56.3	Low	54.5	Low	47 Å²	47	76.2 Å²	76.2	29%	0.288	39%	0.389	S	S	.	.	H	α-helix	trans	-68.1	-41.2	177.1	51.6	0	0	0	0	112.2	A329 M330 H336 H337	A329-T333 WeakPolarHBondContact O-CG2 3.5Å; A329-T333 PolarHBondContact O-N 2.94Å; A329-T333 PolarHBondContact O-OG1 3.42Å; M330-T333 WeakPolarHBondContact CA-OG1 3.28Å; M330-T333 PolarHBondContact O-N 2.81Å; M330-T333 PolarHBondContact O-OG1 3.4Å; T333-H336 WeakPolarHBondContact O-CB 3.08Å; T333-H336 PolarHBondContact O-N 3.46Å; T333-H337 PolarHBondContact O-N 2.72Å
334	A	46.9	Very low	54.9	Low	45 Å²	45	78.9 Å²	78.9	37%	0.372	40%	0.399	S	S	.	.	H	α-helix	trans	-61	-46.2	173.9	0	0	0	0	0	112.3	M330 H331 H336 H337 I338	M330-A334 WeakPolarHBondContact O-CB 3.5Å; M330-A334 PolarHBondContact O-N 2.69Å; H331-A334 PolarHBondContact O-N 3.36Å; A334-H336 VanDerWaalsContact C-N 3.32Å; A334-H336 PolarHBondContact O-N 3.43Å; A334-H337 WeakPolarHBondContact O-CB 3.19Å; A334-H337 PolarHBondContact O-N 2.9Å; A334-H337 VanDerWaalsContact O-N 3.13Å; A334-I338 WeakPolarHBondContact O-CG1 3.49Å; A334-I338 PolarHBondContact O-N 3.25Å
335	L	46.6	Very low	54.8	Low	97 Å²	97	82.8 Å²	82.8	51%	0.508	42%	0.42	S	S	.	.	H	α-helix	trans	-60.5	-40.8	175.6	-76.3	171.3	0	0	0	111.9	H331 H337 I338 I339	H331-L335 WeakPolarHBondContact O-CB 3.41Å; H331-L335 WeakPolarHBondContact O-CG 3.44Å; H331-L335 PolarHBondContact O-N 2.98Å; L335-H337 VanDerWaalsContact C-N 3.33Å; L335-H337 PolarHBondContact O-N 3.32Å; L335-I338 PolarHBondContact O-N 2.65Å; L335-I339 VanDerWaalsContact O-CG1 3.28Å; L335-I339 WeakPolarHBondContact O-CG1 3.42Å; L335-I339 PolarHBondContact O-N 3Å
336	H	56.6	Low	54.5	Low	62 Å²	62	83.5 Å²	83.5	29%	0.287	43%	0.433	S	S	.	.	H	α-helix	trans	-61.7	-41.6	173.8	-70	155.5	0	0	0	112.4	C332 T333 A334 I339 K340 L703	C332-H336 PolarHBondContact O-N 3.3Å; C332-H336 PolarHBondContact O-ND1 3.17Å; T333-H336 WeakPolarHBondContact O-CB 3.08Å; T333-H336 PolarHBondContact O-N 3.46Å; A334-H336 VanDerWaalsContact C-N 3.32Å; A334-H336 PolarHBondContact O-N 3.43Å; H336-I339 PolarHBondContact O-N 3.5Å; H336-K340 WeakPolarHBondContact O-CB 3.37Å; H336-K340 PolarHBondContact O-N 2.72Å; H336-L703 WeakPolarHBondContact NE2-CB 3.37Å
337	H	55.1	Low	54.7	Low	104 Å²	104	82.8 Å²	82.8	48%	0.481	44%	0.437	S	S	.	.	H	α-helix	trans	-61.8	-44.9	176	-169.1	-103.6	0	0	0	111.4	T333 A334 L335 I339 K340 L341	T333-H337 PolarHBondContact O-N 2.72Å; A334-H337 WeakPolarHBondContact O-CB 3.19Å; A334-H337 PolarHBondContact O-N 2.9Å; A334-H337 VanDerWaalsContact O-N 3.13Å; L335-H337 VanDerWaalsContact C-N 3.33Å; L335-H337 PolarHBondContact O-N 3.32Å; H337-I339 PolarHBondContact O-N 2.91Å; H337-K340 WeakPolarHBondContact O-CB 3.45Å; H337-K340 PolarHBondContact O-N 2.97Å; H337-L341 WeakPolarHBondContact O-CG 3.34Å; H337-L341 PolarHBondContact O-N 2.98Å
338	I	50.8	Low	54.9	Low	84 Å²	84	86.8 Å²	86.8	43%	0.431	46%	0.455	S	S	.	.	H	α-helix	trans	-61.3	-45.6	176.4	-66.6	166	0	0	0	111.3	A334 L335 K340 L341 K342	A334-I338 WeakPolarHBondContact O-CG1 3.49Å; A334-I338 PolarHBondContact O-N 3.25Å; L335-I338 PolarHBondContact O-N 2.65Å; I338-K340 VanDerWaalsContact C-N 3.26Å; I338-K340 PolarHBondContact O-N 2.78Å; I338-L341 PolarHBondContact O-N 2.95Å; I338-K342 WeakPolarHBondContact O-CG 3.49Å; I338-K342 PolarHBondContact O-N 2.9Å
339	I	54.1	Low	54.9	Low	67 Å²	67	89.2 Å²	89.2	34%	0.344	48%	0.475	S	S	.	.	H	α-helix	trans	-59.6	-40.8	176.7	-69.2	165.4	0	0	0	110.4	L335 H336 H337 K342 K343 L703	L335-I339 VanDerWaalsContact O-CG1 3.28Å; L335-I339 WeakPolarHBondContact O-CG1 3.42Å; L335-I339 PolarHBondContact O-N 3Å; H336-I339 PolarHBondContact O-N 3.5Å; H337-I339 PolarHBondContact O-N 2.91Å; I339-K342 PolarHBondContact O-N 3.5Å; I339-K343 WeakPolarHBondContact O-CG 3.28Å; I339-K343 PolarHBondContact O-N 3.33Å; I339-L703 HydrophobicContact CD1-CD1 4.39Å
340	K	66.2	Low	54.5	Low	87 Å²	87	94.6 Å²	94.6	38%	0.378	49%	0.488	S	S	.	.	H	α-helix	trans	-66.9	-41.5	178.2	-167.2	177	-175	177.7	0	112	H336 H337 I338 K343 K344	H336-K340 WeakPolarHBondContact O-CB 3.37Å; H336-K340 PolarHBondContact O-N 2.72Å; H337-K340 WeakPolarHBondContact O-CB 3.45Å; H337-K340 PolarHBondContact O-N 2.97Å; I338-K340 VanDerWaalsContact C-N 3.26Å; I338-K340 PolarHBondContact O-N 2.78Å; K340-K343 PolarHBondContact O-N 2.74Å; K340-K344 WeakPolarHBondContact O-CG 3.34Å; K340-K344 PolarHBondContact O-N 3.19Å
341	L	58.2	Low	54.1	Low	82 Å²	82	97.1 Å²	97.1	43%	0.429	50%	0.502	S	S	.	.	H	α-helix	trans	-61.6	-44.8	173.9	-73.4	173.6	0	0	0	111.3	H337 I338 K343 K344 L345	H337-L341 WeakPolarHBondContact O-CG 3.34Å; H337-L341 PolarHBondContact O-N 2.98Å; I338-L341 PolarHBondContact O-N 2.95Å; L341-K343 VanDerWaalsContact C-N 3.34Å; L341-K343 PolarHBondContact O-N 3.31Å; L341-K344 PolarHBondContact O-N 2.86Å; L341-L345 WeakPolarHBondContact O-CB 3.4Å; L341-L345 WeakPolarHBondContact O-CG 3.39Å; L341-L345 PolarHBondContact O-N 3.3Å
342	K	52.4	Low	53.7	Low	148 Å²	148	97.7 Å²	97.7	64%	0.643	51%	0.512	S	S	*	.	H	α-helix	trans	-60.8	-41.5	175.5	-73.9	-171.9	174.7	-171.3	0	112.3	I338 I339 L345 A346	I338-K342 WeakPolarHBondContact O-CG 3.49Å; I338-K342 PolarHBondContact O-N 2.9Å; I339-K342 PolarHBondContact O-N 3.5Å; K342-L345 PolarHBondContact O-N 3.5Å; K342-A346 WeakPolarHBondContact O-CB 3.41Å; K342-A346 PolarHBondContact O-N 3.16Å
343	K	62.2	Low	53.2	Low	142 Å²	142	102.1 Å²	102.1	62%	0.617	54%	0.541	S	S	*	.	H	α-helix	trans	-62.4	-43.8	174.1	-75.4	-174.8	174.4	-166.4	0	112.1	I339 K340 L341 A346 V347	I339-K343 WeakPolarHBondContact O-CG 3.28Å; I339-K343 PolarHBondContact O-N 3.33Å; K340-K343 PolarHBondContact O-N 2.74Å; L341-K343 VanDerWaalsContact C-N 3.34Å; L341-K343 PolarHBondContact O-N 3.31Å; K343-A346 PolarHBondContact O-N 3.13Å; K343-V347 VanDerWaalsContact O-CG2 3.29Å; K343-V347 WeakPolarHBondContact O-CG2 3.35Å; K343-V347 PolarHBondContact O-N 2.88Å
344	K	65.3	Low	52.4	Low	126 Å²	126	109.4 Å²	109.4	55%	0.548	57%	0.572	S	S	.	*	H	α-helix	trans	-65.1	-41.9	177	-75.4	-175	174	-168.6	0	112.7	K340 L341 V347 N348	K340-K344 WeakPolarHBondContact O-CG 3.34Å; K340-K344 PolarHBondContact O-N 3.19Å; L341-K344 PolarHBondContact O-N 2.86Å; K344-V347 PolarHBondContact O-N 2.87Å; K344-N348 WeakPolarHBondContact O-CB 3.35Å; K344-N348 PolarHBondContact O-N 2.96Å
345	L	52.7	Low	52.2	Low	118 Å²	118	111.3 Å²	111.3	62%	0.618	60%	0.596	S	S	*	*	H	α-helix	trans	-62.6	-44.3	175.9	-74	168.9	0	0	0	110.9	L341 K342 V347 N348 S349	L341-L345 WeakPolarHBondContact O-CB 3.4Å; L341-L345 WeakPolarHBondContact O-CG 3.39Å; L341-L345 PolarHBondContact O-N 3.3Å; K342-L345 PolarHBondContact O-N 3.5Å; L345-V347 VanDerWaalsContact C-N 3.33Å; L345-V347 PolarHBondContact O-N 2.88Å; L345-N348 PolarHBondContact O-N 3.03Å; L345-S349 PolarHBondContact O-N 3.16Å; L345-S349 PolarHBondContact O-OG 3.22Å
346	A	50.8	Low	52.1	Low	65 Å²	65	115 Å²	115	54%	0.537	60%	0.604	S	S	.	*	H	α-helix	trans	-61.1	-39.7	176.6	0	0	0	0	0	112.7	K342 K343 S349	K342-A346 WeakPolarHBondContact O-CB 3.41Å; K342-A346 PolarHBondContact O-N 3.16Å; K343-A346 PolarHBondContact O-N 3.13Å; A346-S349 WeakPolarHBondContact CA-OG 3.21Å; A346-S349 PolarHBondContact O-OG 3.18Å
347	V	61.4	Low	51.9	Low	107 Å²	107	116.7 Å²	116.7	65%	0.648	62%	0.615	S	S	*	*	H	α-helix	trans	-66.7	-43.2	174	171.3	0	0	0	0	111.2	K343 K344 L345 S349 K350	K343-V347 VanDerWaalsContact O-CG2 3.29Å; K343-V347 WeakPolarHBondContact O-CG2 3.35Å; K343-V347 PolarHBondContact O-N 2.88Å; K344-V347 PolarHBondContact O-N 2.87Å; L345-V347 VanDerWaalsContact C-N 3.33Å; L345-V347 PolarHBondContact O-N 2.88Å; V347-S349 VanDerWaalsContact C-N 3.32Å; V347-S349 PolarHBondContact O-N 2.02Å; V347-K350 PolarHBondContact O-N 3.41Å
348	N	56.1	Low	51.7	Low	127 Å²	127	115.7 Å²	115.7	68%	0.679	62%	0.618	S	S	*	*	H	α-helix	trans	-70	-26	-179.6	-81.6	10	0	0	0	113.6	K344 L345 K350	K344-N348 WeakPolarHBondContact O-CB 3.35Å; K344-N348 PolarHBondContact O-N 2.96Å; L345-N348 PolarHBondContact O-N 3.03Å; N348-K350 PolarHBondContact O-N 3.27Å; N348-K350 VanDerWaalsContact O-N 3.11Å
349	S	51.9	Low	51.8	Low	86 Å²	86	119.6 Å²	119.6	60%	0.601	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	20.3	177.2	47.6	0	0	0	0	114.2	L345 A346 V347 I351	L345-S349 PolarHBondContact O-N 3.16Å; L345-S349 PolarHBondContact O-OG 3.22Å; A346-S349 WeakPolarHBondContact CA-OG 3.21Å; A346-S349 PolarHBondContact O-OG 3.18Å; V347-S349 VanDerWaalsContact C-N 3.32Å; V347-S349 PolarHBondContact O-N 2.02Å; S349-I351 PolarHBondContact O-N 3.41Å; S349-I351 VanDerWaalsContact O-N 3.12Å
350	K	48.5	Very low	52.2	Low	168 Å²	168	119.3 Å²	119.3	73%	0.73	63%	0.633	S	S	*	*			trans	37.6	60.9	160	-72.2	-174.3	179.6	-175.2	0	115.2	V347 N348 T352	V347-K350 PolarHBondContact O-N 3.41Å; N348-K350 PolarHBondContact O-N 3.27Å; N348-K350 VanDerWaalsContact O-N 3.11Å; K350-T352 VanDerWaalsContact C-N 3.33Å; K350-T352 HydrophobicContact CB-CG2 4.34Å; K350-T352 HydrophobicContact CG-CG2 4.39Å; K350-T352 PolarHBondContact O-N 2.96Å
351	I	43.2	Very low	51.7	Low	163 Å²	163	119.9 Å²	119.9	84%	0.836	65%	0.646	S	S	*	*			trans	-83.1	97.5	137.2	-60.4	171.2	0	0	0	103.1	S349 P353	S349-I351 PolarHBondContact O-N 3.41Å; S349-I351 VanDerWaalsContact O-N 3.12Å; I351-P353 WeakPolarHBondContact O-CD 3.28Å
352	T	39.9	Very low	51.2	Low	107 Å²	107	122.7 Å²	122.7	66%	0.656	66%	0.657	S	S	*	*			trans	-78.2	113.4	176.2	43.3	0	0	0	0	108.8	K350	K350-T352 VanDerWaalsContact C-N 3.33Å; K350-T352 HydrophobicContact CB-CG2 4.34Å; K350-T352 HydrophobicContact CG-CG2 4.39Å; K350-T352 PolarHBondContact O-N 2.96Å
353	P	42.4	Very low	51	Low	113 Å²	113	118.9 Å²	118.9	73%	0.734	64%	0.643	S	S	*	*			trans	-76.9	131.3	143.5	24.1	-10.5	0	0	0	106.8	I351	I351-P353 WeakPolarHBondContact O-CD 3.28Å
354	E	39.8	Very low	50.7	Low	200 Å²	200	115 Å²	115	94%	0.935	64%	0.638	S	S	*	*	S	Bend	trans	-48.3	136.9	177.3	-59.7	-177.2	150.8	0	0	111.6
355	G	42.1	Very low	50.1	Low	84 Å²	84	115.1 Å²	115.1	87%	0.866	64%	0.64	S	S	*	*			trans	120	15.9	165.7	0	0	0	0	0	119.5
356	Y	44.5	Very low	49.6	Very low	176 Å²	176	113 Å²	113	69%	0.69	64%	0.636	S	S	*	*			trans	-92	106.5	176	-178.4	-105.3	0	0	0	112.3	P358	Y356-P358 HydrophobicContact CE1-CB 4.21Å
357	D	52.2	Low	49.5	Very low	96 Å²	96	113.2 Å²	113.2	51%	0.513	63%	0.63	S	S	.	*			trans	-103.6	114.1	168.1	-168	-13.9	0	0	0	110.3	E359 D360	D357-E359 PolarHBondContact O-N 3.28Å; D357-E359 PolarHBondContact OD1-N 3.48Å; D357-D360 PolarHBondContact O-N 3.49Å
358	P	50.2	Low	49	Very low	84 Å²	84	109.3 Å²	109.3	55%	0.545	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.8	-13.6	177.8	26.7	-33.7	0	0	0	114.6	Y356	Y356-P358 HydrophobicContact CE1-CB 4.21Å
359	E	54.6	Low	48.5	Very low	166 Å²	166	107.8 Å²	107.8	78%	0.776	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	1.9	-179.5	-64.4	-75.8	132.2	0	0	113.4	D357 P361	D357-E359 PolarHBondContact O-N 3.28Å; D357-E359 PolarHBondContact OD1-N 3.48Å; E359-P361 VanDerWaalsContact O-CD 3.28Å; E359-P361 WeakPolarHBondContact O-CD 3.18Å; E359-P361 VanDerWaalsContact O-N 3.15Å
360	D	60.9	Low	48.1	Very low	60 Å²	60	108.6 Å²	108.6	32%	0.321	60%	0.595	S	S	.	*			trans	-62	116	178.2	-173.1	-19.3	0	0	0	111.2	D357 E362 I363 A364	D357-D360 PolarHBondContact O-N 3.49Å; D360-E362 PolarHBondContact O-N 2.69Å; D360-E362 PolarHBondContact OD1-N 3.06Å; D360-I363 HydrophobicContact CB-CB 4.39Å; D360-I363 HydrophobicContact CB-CD1 3.95Å; D360-I363 HydrophobicContact CB-CG1 4.02Å; D360-I363 PolarHBondContact O-N 3.45Å; D360-I363 VanDerWaalsContact O-N 3.15Å; D360-A364 PolarHBondContact O-N 3.49Å; D360-A364 VanDerWaalsContact O-N 3.09Å
361	P	57.2	Low	47.8	Very low	99 Å²	99	107.7 Å²	107.7	64%	0.643	59%	0.592	S	S	*	*	H	α-helix	trans	-60.3	-30	-176.6	22.6	-32.3	0	0	0	113.2	E359 A364 E365	E359-P361 VanDerWaalsContact O-CD 3.28Å; E359-P361 WeakPolarHBondContact O-CD 3.18Å; E359-P361 VanDerWaalsContact O-N 3.15Å; P361-A364 PolarHBondContact O-N 3Å; P361-E365 WeakPolarHBondContact O-CB 3.29Å; P361-E365 PolarHBondContact O-N 3.22Å
362	E	47.9	Very low	48.1	Very low	141 Å²	141	109.1 Å²	109.1	66%	0.659	59%	0.587	S	S	*	*	H	α-helix	trans	-70.1	-34.8	179.4	-69.2	-169.4	170.8	0	0	111.9	D360 S366	D360-E362 PolarHBondContact O-N 2.69Å; D360-E362 PolarHBondContact OD1-N 3.06Å; E362-S366 VanDerWaalsContact O-CB 3.27Å; E362-S366 WeakPolarHBondContact O-CB 3.34Å; E362-S366 PolarHBondContact O-N 3.38Å; E362-S366 PolarHBondContact O-OG 3.03Å
363	I	47.3	Very low	48.1	Very low	68 Å²	68	110.2 Å²	110.2	35%	0.349	58%	0.582	S	S	.	*	H	α-helix	trans	-73.3	-41.6	176.1	-57.2	180	0	0	0	109.6	D360 E365 S366 V367	D360-I363 HydrophobicContact CB-CB 4.39Å; D360-I363 HydrophobicContact CB-CD1 3.95Å; D360-I363 HydrophobicContact CB-CG1 4.02Å; D360-I363 PolarHBondContact O-N 3.45Å; D360-I363 VanDerWaalsContact O-N 3.15Å; I363-E365 VanDerWaalsContact C-N 3.32Å; I363-E365 PolarHBondContact O-N 3.17Å; I363-S366 PolarHBondContact O-N 2.98Å; I363-V367 HydrophobicContact CG2-CG2 4.27Å; I363-V367 WeakPolarHBondContact O-CB 3.44Å; I363-V367 VanDerWaalsContact O-CG2 3.23Å; I363-V367 WeakPolarHBondContact O-CG2 3.49Å; I363-V367 PolarHBondContact O-N 3.05Å
364	A	55.4	Low	47.9	Very low	62 Å²	62	107.1 Å²	107.1	51%	0.512	56%	0.559	S	S	.	*	H	α-helix	trans	-60.4	-42.3	175.7	0	0	0	0	0	111.6	D360 P361 G368	D360-A364 PolarHBondContact O-N 3.49Å; D360-A364 VanDerWaalsContact O-N 3.09Å; P361-A364 PolarHBondContact O-N 3Å; A364-G368 PolarHBondContact O-N 3.35Å
365	E	52.3	Low	48	Very low	128 Å²	128	104.1 Å²	104.1	60%	0.598	54%	0.543	S	S	*	.	H	α-helix	trans	-64.8	-47.2	174.2	-175.1	172.3	-170.4	0	0	111.5	P361 I363 V367 G368 L369	P361-E365 WeakPolarHBondContact O-CB 3.29Å; P361-E365 PolarHBondContact O-N 3.22Å; I363-E365 VanDerWaalsContact C-N 3.32Å; I363-E365 PolarHBondContact O-N 3.17Å; E365-V367 VanDerWaalsContact C-N 3.32Å; E365-V367 PolarHBondContact O-N 3.25Å; E365-G368 CarbonylContact O-C 3.53Å; E365-G368 WeakPolarHBondContact O-CA 3.33Å; E365-G368 PolarHBondContact O-N 2.96Å; E365-L369 HydrophobicContact CG-CD1 4.11Å; E365-L369 HydrophobicContact CG-CG 4.33Å; E365-L369 WeakPolarHBondContact O-CG 3.36Å; E365-L369 PolarHBondContact O-N 3.45Å
366	S	43.5	Very low	47.8	Very low	74 Å²	74	103.8 Å²	103.8	52%	0.517	53%	0.525	S	S	.	.	H	α-helix	trans	-59.4	-41.9	177.2	-67.4	0	0	0	0	112.4	E362 I363 G368 F370	E362-S366 VanDerWaalsContact O-CB 3.27Å; E362-S366 WeakPolarHBondContact O-CB 3.34Å; E362-S366 PolarHBondContact O-N 3.38Å; E362-S366 PolarHBondContact O-OG 3.03Å; I363-S366 PolarHBondContact O-N 2.98Å; S366-G368 VanDerWaalsContact C-N 3.34Å; S366-F370 VanDerWaalsContact O-CB 3.23Å; S366-F370 WeakPolarHBondContact O-CB 3.16Å; S366-F370 PolarHBondContact O-N 3.18Å
367	V	48.7	Very low	47.7	Very low	68 Å²	68	103.3 Å²	103.3	41%	0.412	52%	0.522	S	S	.	.	H	α-helix	trans	-67.1	-37.2	174.2	171.3	0	0	0	0	110.8	I363 E365 F370 K371	I363-V367 HydrophobicContact CG2-CG2 4.27Å; I363-V367 WeakPolarHBondContact O-CB 3.44Å; I363-V367 VanDerWaalsContact O-CG2 3.23Å; I363-V367 WeakPolarHBondContact O-CG2 3.49Å; I363-V367 PolarHBondContact O-N 3.05Å; E365-V367 VanDerWaalsContact C-N 3.32Å; E365-V367 PolarHBondContact O-N 3.25Å; V367-F370 PolarHBondContact O-N 3.41Å; V367-K371 HydrophobicContact CG1-CD 4.3Å; V367-K371 WeakPolarHBondContact O-CB 3.32Å; V367-K371 VanDerWaalsContact O-CG 3.3Å; V367-K371 WeakPolarHBondContact O-CG 3.43Å; V367-K371 PolarHBondContact O-N 3.35Å
368	G	49.8	Very low	46.8	Very low	26 Å²	26	102.6 Å²	102.6	27%	0.268	52%	0.516	S	S	.	.	H	α-helix	trans	-63.6	-49.5	174.8	0	0	0	0	0	112.9	A364 E365 S366 F370 K371 R372	A364-G368 PolarHBondContact O-N 3.35Å; E365-G368 CarbonylContact O-C 3.53Å; E365-G368 WeakPolarHBondContact O-CA 3.33Å; E365-G368 PolarHBondContact O-N 2.96Å; S366-G368 VanDerWaalsContact C-N 3.34Å; G368-F370 VanDerWaalsContact C-N 3.31Å; G368-F370 PolarHBondContact O-N 3.47Å; G368-K371 PolarHBondContact O-N 3.06Å; G368-R372 WeakPolarHBondContact O-CG 3.38Å; G368-R372 PolarHBondContact O-N 3.05Å
369	L	45.7	Very low	46.3	Very low	94 Å²	94	104.3 Å²	104.3	49%	0.492	52%	0.516	S	S	.	.	H	α-helix	trans	-60.3	-41.6	174.2	-70.9	173.8	0	0	0	110.9	E365 R372 F373	E365-L369 HydrophobicContact CG-CD1 4.11Å; E365-L369 HydrophobicContact CG-CG 4.33Å; E365-L369 WeakPolarHBondContact O-CG 3.36Å; E365-L369 PolarHBondContact O-N 3.45Å; L369-R372 PolarHBondContact O-N 3.44Å; L369-F373 WeakPolarHBondContact O-CB 3.16Å; L369-F373 PolarHBondContact O-N 3.16Å
370	F	43	Very low	45.6	Very low	103 Å²	103	99.9 Å²	99.9	45%	0.452	50%	0.503	S	S	.	.	H	α-helix	trans	-65	-41.8	175.9	-172.9	-99.1	0	0	0	112.5	S366 V367 G368 R372 F373 M374	S366-F370 VanDerWaalsContact O-CB 3.23Å; S366-F370 WeakPolarHBondContact O-CB 3.16Å; S366-F370 PolarHBondContact O-N 3.18Å; V367-F370 PolarHBondContact O-N 3.41Å; G368-F370 VanDerWaalsContact C-N 3.31Å; G368-F370 PolarHBondContact O-N 3.47Å; F370-R372 VanDerWaalsContact C-N 3.31Å; F370-R372 PolarHBondContact O-N 3.36Å; F370-F373 PolarHBondContact O-N 3.1Å; F370-M374 HydrophobicContact CD1-CG 4.05Å; F370-M374 HydrophobicContact CD2-CG 4.42Å; F370-M374 HydrophobicContact CE1-CG 3.68Å; F370-M374 HydrophobicContact CE1-SD 4.47Å; F370-M374 HydrophobicContact CE2-CG 4.08Å; F370-M374 HydrophobicContact CE2-SD 4.32Å; F370-M374 HydrophobicContact CG-CG 4.4Å; F370-M374 HydrophobicContact CZ-CE 4.2Å; F370-M374 HydrophobicContact CZ-CG 3.7Å; F370-M374 HydrophobicContact CZ-SD 3.96Å; F370-M374 WeakPolarHBondContact O-CB 3.34Å; F370-M374 WeakPolarHBondContact O-CG 3.4Å; F370-M374 PolarHBondContact O-N 3.45Å
371	K	44	Very low	44.7	Very low	149 Å²	149	97.7 Å²	97.7	65%	0.648	49%	0.494	S	S	*	.	H	α-helix	trans	-60.9	-40	173.7	-78.3	172.3	-178.7	173.4	0	111.5	V367 G368 K375	V367-K371 HydrophobicContact CG1-CD 4.3Å; V367-K371 WeakPolarHBondContact O-CB 3.32Å; V367-K371 VanDerWaalsContact O-CG 3.3Å; V367-K371 WeakPolarHBondContact O-CG 3.43Å; V367-K371 PolarHBondContact O-N 3.35Å; G368-K371 PolarHBondContact O-N 3.06Å; K371-K375 PolarHBondContact O-N 3.41Å
372	R	48.6	Very low	44.3	Very low	194 Å²	194	99.7 Å²	99.7	73%	0.732	49%	0.493	S	S	*	.	H	α-helix	trans	-66.6	-44.9	175.9	-72.4	178	-178	176.3	2.1	111.8	G368 L369 F370 M374 K375	G368-R372 WeakPolarHBondContact O-CG 3.38Å; G368-R372 PolarHBondContact O-N 3.05Å; L369-R372 PolarHBondContact O-N 3.44Å; F370-R372 VanDerWaalsContact C-N 3.31Å; F370-R372 PolarHBondContact O-N 3.36Å; R372-M374 VanDerWaalsContact C-N 3.3Å; R372-M374 PolarHBondContact O-N 3.29Å; R372-K375 PolarHBondContact O-N 2.96Å
373	F	41	Very low	44.1	Very low	129 Å²	129	97 Å²	97	57%	0.566	48%	0.482	S	S	*	.	H	α-helix	trans	-62.3	-35.2	177.4	-176.4	-95.1	0	0	0	113	L369 F370 P376	L369-F373 WeakPolarHBondContact O-CB 3.16Å; L369-F373 PolarHBondContact O-N 3.16Å; F370-F373 PolarHBondContact O-N 3.1Å; F373-P376 WeakPolarHBondContact O-CD 3.49Å
374	M	36.3	Very low	44.3	Very low	49 Å²	49	98.1 Å²	98.1	24%	0.241	48%	0.482	C	S	.	.	H	α-helix	trans	-84.9	-15.9	-176.1	-69.2	-69.2	-77.5	0	0	114.3	F370 R372 P376 R377	F370-M374 HydrophobicContact CD1-CG 4.05Å; F370-M374 HydrophobicContact CD2-CG 4.42Å; F370-M374 HydrophobicContact CE1-CG 3.68Å; F370-M374 HydrophobicContact CE1-SD 4.47Å; F370-M374 HydrophobicContact CE2-CG 4.08Å; F370-M374 HydrophobicContact CE2-SD 4.32Å; F370-M374 HydrophobicContact CG-CG 4.4Å; F370-M374 HydrophobicContact CZ-CE 4.2Å; F370-M374 HydrophobicContact CZ-CG 3.7Å; F370-M374 HydrophobicContact CZ-SD 3.96Å; F370-M374 WeakPolarHBondContact O-CB 3.34Å; F370-M374 WeakPolarHBondContact O-CG 3.4Å; F370-M374 PolarHBondContact O-N 3.45Å; R372-M374 VanDerWaalsContact C-N 3.3Å; R372-M374 PolarHBondContact O-N 3.29Å; M374-P376 VanDerWaalsContact C-CD 3.45Å; M374-P376 VanDerWaalsContact C-N 3.31Å; M374-R377 PolarHBondContact O-N 3.34Å
375	K	42.5	Very low	44.1	Very low	137 Å²	137	98.8 Å²	98.8	60%	0.596	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-36.9	-178.4	-150.8	176.6	-175.3	179.8	0	113.8	K371 R372	K371-K375 PolarHBondContact O-N 3.41Å; R372-K375 PolarHBondContact O-N 2.96Å
376	P	38	Very low	44.5	Very low	76 Å²	76	98.2 Å²	98.2	49%	0.494	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	6.1	177.3	-4.1	24.4	0	0	0	115.3	F373 M374 A381	F373-P376 WeakPolarHBondContact O-CD 3.49Å; M374-P376 VanDerWaalsContact C-CD 3.45Å; M374-P376 VanDerWaalsContact C-N 3.31Å; P376-A381 WeakPolarHBondContact O-CB 3.44Å
377	R	41.9	Very low	45.1	Very low	166 Å²	166	100.3 Å²	100.3	63%	0.626	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	-2.4	-173.7	-76.3	-172.9	166.4	88.3	3.3	116.3	M374	M374-R377 PolarHBondContact O-N 3.34Å
378	H	34	Very low	45.6	Very low	82 Å²	82	102.4 Å²	102.4	38%	0.38	48%	0.477	S	S	.	.	S	Bend	trans	-75.1	174.6	176.5	-105.8	-94.7	0	0	0	113.1	S380 A381	H378-S380 PolarHBondContact O-N 2.66Å; H378-A381 VanDerWaalsContact C-N 3.34Å; H378-A381 VanDerWaalsContact O-CA 3.25Å; H378-A381 WeakPolarHBondContact O-CA 3.42Å; H378-A381 WeakPolarHBondContact O-CB 3.35Å; H378-A381 PolarHBondContact O-N 2.89Å
379	E	39.6	Very low	45.8	Very low	119 Å²	119	109 Å²	109	56%	0.556	49%	0.494	S	S	*	.	H	α-helix	trans	-57.9	-30.4	166.3	-157	166.1	-156.2	0	0	111.2	A381	E379-A381 PolarHBondContact O-N 3.5Å
380	S	40.9	Very low	46.2	Very low	73 Å²	73	109 Å²	109	51%	0.51	49%	0.49	S	S	.	.	H	α-helix	trans	-70.9	-5.1	165.9	-37.4	0	0	0	0	113.5	H378 I383 Y384	H378-S380 PolarHBondContact O-N 2.66Å; S380-I383 CarbonylContact O-C 3.54Å; S380-Y384 VanDerWaalsContact O-CA 3.25Å; S380-Y384 WeakPolarHBondContact O-CA 3.42Å; S380-Y384 WeakPolarHBondContact O-CB 3.35Å; S380-Y384 PolarHBondContact O-N 3.27Å
381	A	40.9	Very low	46.7	Very low	14 Å²	14	112.2 Å²	112.2	12%	0.116	50%	0.499	C	S	.	.	H	α-helix	trans	-76.8	-40.5	176.6	0	0	0	0	0	111.5	P376 H378 E379 Y384 E385	P376-A381 WeakPolarHBondContact O-CB 3.44Å; H378-A381 VanDerWaalsContact C-N 3.34Å; H378-A381 VanDerWaalsContact O-CA 3.25Å; H378-A381 WeakPolarHBondContact O-CA 3.42Å; H378-A381 WeakPolarHBondContact O-CB 3.35Å; H378-A381 PolarHBondContact O-N 2.89Å; E379-A381 PolarHBondContact O-N 3.5Å; A381-Y384 CarbonylContact O-C 3.56Å; A381-Y384 PolarHBondContact O-N 2.95Å; A381-E385 VanDerWaalsContact O-CB 3.28Å; A381-E385 WeakPolarHBondContact O-CB 3.45Å; A381-E385 PolarHBondContact O-N 3Å
382	F	48.9	Very low	47.1	Very low	142 Å²	142	106.7 Å²	106.7	62%	0.623	48%	0.481	S	S	*	.	H	α-helix	trans	-63.5	-47.1	168.1	179.7	-95.7	0	0	0	109.3	Y384 E385 M386	F382-Y384 PolarHBondContact O-N 2.98Å; F382-E385 PolarHBondContact O-N 3.11Å; F382-M386 HydrophobicContact CE1-CB 4.46Å; F382-M386 HydrophobicContact CE1-SD 4.02Å; F382-M386 WeakPolarHBondContact O-CA 3.43Å; F382-M386 WeakPolarHBondContact O-CB 3.37Å; F382-M386 PolarHBondContact O-N 3.32Å
383	I	43.4	Very low	46.9	Very low	84 Å²	84	104.5 Å²	104.5	43%	0.431	47%	0.473	S	S	.	.	H	α-helix	trans	-62.2	-31.1	174.1	-60.5	-176.7	0	0	0	111.4	S380 K387	S380-I383 CarbonylContact O-C 3.54Å; I383-K387 HydrophobicContact CG2-CD 3.8Å; I383-K387 HydrophobicContact CG2-CG 4.11Å; I383-K387 WeakPolarHBondContact O-CA 3.44Å; I383-K387 WeakPolarHBondContact O-CB 3.37Å; I383-K387 WeakPolarHBondContact O-CG 3.42Å; I383-K387 PolarHBondContact O-N 3.45Å
384	Y	51.9	Low	47.4	Very low	91 Å²	91	104 Å²	104	36%	0.357	47%	0.47	S	S	.	.	H	α-helix	trans	-77.9	-42.6	-180	174.3	-95.1	0	0	0	110.6	S380 A381 F382 K387 K388	S380-Y384 VanDerWaalsContact O-CA 3.25Å; S380-Y384 WeakPolarHBondContact O-CA 3.42Å; S380-Y384 WeakPolarHBondContact O-CB 3.35Å; S380-Y384 PolarHBondContact O-N 3.27Å; A381-Y384 CarbonylContact O-C 3.56Å; A381-Y384 PolarHBondContact O-N 2.95Å; F382-Y384 PolarHBondContact O-N 2.98Å; Y384-K387 CarbonylContact O-C 3.48Å; Y384-K387 PolarHBondContact O-N 3.3Å; Y384-K388 HydrophobicContact CE1-CD 4.34Å; Y384-K388 WeakPolarHBondContact O-CA 3Å; Y384-K388 WeakPolarHBondContact O-CB 3.33Å; Y384-K388 PolarHBondContact O-N 2.91Å
385	E	52.2	Low	48.3	Very low	77 Å²	77	102.6 Å²	102.6	36%	0.36	47%	0.467	S	S	.	.	H	α-helix	trans	-64	-44.8	171.1	-104.4	-63.6	141.2	0	0	109.9	A381 F382 K388 R389	A381-E385 VanDerWaalsContact O-CB 3.28Å; A381-E385 WeakPolarHBondContact O-CB 3.45Å; A381-E385 PolarHBondContact O-N 3Å; F382-E385 PolarHBondContact O-N 3.11Å; E385-K388 CarbonylContact O-C 3.51Å; E385-K388 PolarHBondContact O-N 3.31Å; E385-K388 IonicContact OE1-NZ 2.81Å; E385-R389 VanDerWaalsContact O-CB 3.31Å; E385-R389 WeakPolarHBondContact O-CB 3.24Å; E385-R389 PolarHBondContact O-N 3.31Å
386	M	58.8	Low	48.6	Very low	115 Å²	115	100.5 Å²	100.5	57%	0.567	46%	0.458	S	S	*	.	H	α-helix	trans	-63.5	-43.3	174.2	-166.2	-170.8	-163	0	0	111	F382 K388 K390	F382-M386 HydrophobicContact CE1-CB 4.46Å; F382-M386 HydrophobicContact CE1-SD 4.02Å; F382-M386 WeakPolarHBondContact O-CA 3.43Å; F382-M386 WeakPolarHBondContact O-CB 3.37Å; F382-M386 PolarHBondContact O-N 3.32Å; M386-K388 VanDerWaalsContact C-N 3.35Å; M386-K390 WeakPolarHBondContact O-CA 3.05Å; M386-K390 WeakPolarHBondContact O-CB 3.27Å; M386-K390 PolarHBondContact O-N 2.72Å
387	K	56	Low	49	Very low	118 Å²	118	103 Å²	103	51%	0.513	47%	0.467	S	S	.	.	H	α-helix	trans	-67.8	-33.5	174	-80	176.4	-178.8	178.8	0	111.5	I383 Y384 K390 R391	I383-K387 HydrophobicContact CG2-CD 3.8Å; I383-K387 HydrophobicContact CG2-CG 4.11Å; I383-K387 WeakPolarHBondContact O-CA 3.44Å; I383-K387 WeakPolarHBondContact O-CB 3.37Å; I383-K387 WeakPolarHBondContact O-CG 3.42Å; I383-K387 PolarHBondContact O-N 3.45Å; Y384-K387 CarbonylContact O-C 3.48Å; Y384-K387 PolarHBondContact O-N 3.3Å; K387-K390 PolarHBondContact O-N 3.07Å; K387-R391 WeakPolarHBondContact O-CB 3.13Å; K387-R391 VanDerWaalsContact O-CG 3.22Å; K387-R391 WeakPolarHBondContact O-CG 2.99Å; K387-R391 PolarHBondContact O-N 2.75Å
388	K	61.2	Low	49.4	Very low	113 Å²	113	97.6 Å²	97.6	49%	0.491	45%	0.454	S	S	.	.	H	α-helix	trans	-71.9	-45.5	177.3	-178.8	-174.5	171.4	-159.7	0	110.1	Y384 E385 M386 R391 A392	Y384-K388 HydrophobicContact CE1-CD 4.34Å; Y384-K388 WeakPolarHBondContact O-CA 3Å; Y384-K388 WeakPolarHBondContact O-CB 3.33Å; Y384-K388 PolarHBondContact O-N 2.91Å; E385-K388 CarbonylContact O-C 3.51Å; E385-K388 PolarHBondContact O-N 3.31Å; E385-K388 IonicContact OE1-NZ 2.81Å; M386-K388 VanDerWaalsContact C-N 3.35Å; K388-R391 PolarHBondContact O-N 2.97Å; K388-A392 WeakPolarHBondContact O-CB 2.96Å; K388-A392 PolarHBondContact O-N 3.09Å
389	R	53.8	Low	50.2	Low	164 Å²	164	99.2 Å²	99.2	62%	0.619	47%	0.466	S	S	*	.	H	α-helix	trans	-59.9	-42.8	167.8	-90.7	-178.7	165.8	144.8	-5.3	111.6	E385 A392 R393	E385-R389 VanDerWaalsContact O-CB 3.31Å; E385-R389 WeakPolarHBondContact O-CB 3.24Å; E385-R389 PolarHBondContact O-N 3.31Å; R389-A392 CarbonylContact O-C 3.49Å; R389-A392 PolarHBondContact O-N 2.89Å; R389-R393 WeakPolarHBondContact O-CB 3.3Å; R389-R393 WeakPolarHBondContact O-CG 3.23Å; R389-R393 PolarHBondContact O-N 3Å
390	K	53.3	Low	50.9	Low	93 Å²	93	96.4 Å²	96.4	40%	0.404	46%	0.458	S	S	.	.	H	α-helix	trans	-67.4	-36.5	177.4	-170.3	171.5	-174.6	169.9	0	111.5	M386 K387 K394	M386-K390 WeakPolarHBondContact O-CA 3.05Å; M386-K390 WeakPolarHBondContact O-CB 3.27Å; M386-K390 PolarHBondContact O-N 2.72Å; K387-K390 PolarHBondContact O-N 3.07Å; K390-K394 WeakPolarHBondContact O-CB 3.16Å; K390-K394 WeakPolarHBondContact O-CG 3.39Å; K390-K394 PolarHBondContact O-N 2.81Å
391	R	54.3	Low	51.5	Low	172 Å²	172	101.5 Å²	101.5	65%	0.649	47%	0.471	S	S	*	.	H	α-helix	trans	-68.5	-37.6	170.3	-76.8	179.9	-143.3	-174.4	1.6	111.9	K387 K388 A395	K387-R391 WeakPolarHBondContact O-CB 3.13Å; K387-R391 VanDerWaalsContact O-CG 3.22Å; K387-R391 WeakPolarHBondContact O-CG 2.99Å; K387-R391 PolarHBondContact O-N 2.75Å; K388-R391 PolarHBondContact O-N 2.97Å; R391-A395 VanDerWaalsContact O-CB 3.28Å; R391-A395 WeakPolarHBondContact O-CB 3.38Å; R391-A395 PolarHBondContact O-N 3.16Å
392	A	51.7	Low	52.9	Low	33 Å²	33	105 Å²	105	27%	0.273	49%	0.491	S	S	.	.	H	α-helix	trans	-67	-43.4	174.9	0	0	0	0	0	111.2	K388 R389 A395 F396	K388-A392 WeakPolarHBondContact O-CB 2.96Å; K388-A392 PolarHBondContact O-N 3.09Å; R389-A392 CarbonylContact O-C 3.49Å; R389-A392 PolarHBondContact O-N 2.89Å; A392-A395 WeakPolarHBondContact O-CB 3.3Å; A392-A395 PolarHBondContact O-N 3.02Å; A392-F396 WeakPolarHBondContact O-CD2 3.47Å; A392-F396 PolarHBondContact O-N 3.36Å
393	R	45.1	Very low	54.2	Low	147 Å²	147	105.7 Å²	105.7	56%	0.555	49%	0.494	S	S	*	.	H	α-helix	trans	-63.8	-47.6	173.1	-71.6	-177.4	-175.7	-158.7	1.8	111.6	R389 A395 F396 D397	R389-R393 WeakPolarHBondContact O-CB 3.3Å; R389-R393 WeakPolarHBondContact O-CG 3.23Å; R389-R393 PolarHBondContact O-N 3Å; R393-A395 VanDerWaalsContact C-N 3.27Å; R393-A395 PolarHBondContact O-N 3Å; R393-F396 CarbonylContact O-C 3.56Å; R393-F396 WeakPolarHBondContact O-CA 3.3Å; R393-F396 VanDerWaalsContact O-CB 3.32Å; R393-F396 WeakPolarHBondContact O-CB 3.41Å; R393-F396 PolarHBondContact O-N 2.79Å; R393-D397 PolarHBondContact O-N 3.06Å
394	K	50.3	Low	56	Low	119 Å²	119	102.2 Å²	102.2	52%	0.517	48%	0.477	S	S	.	.	H	α-helix	trans	-65.6	-27	174.7	-81.5	-167.3	172	-161.9	0	113.9	K390 S398	K390-K394 WeakPolarHBondContact O-CB 3.16Å; K390-K394 WeakPolarHBondContact O-CG 3.39Å; K390-K394 PolarHBondContact O-N 2.81Å; K394-S398 WeakPolarHBondContact O-CB 3.48Å; K394-S398 PolarHBondContact O-N 3.45Å; K394-S398 PolarHBondContact O-OG 3.33Å
395	A	55.3	Low	57.3	Low	20 Å²	20	100.7 Å²	100.7	17%	0.165	48%	0.483	C	S	.	.	H	α-helix	trans	-61.2	-62	165.5	0	0	0	0	0	106	R391 A392 R393 D397 S398 P419	R391-A395 VanDerWaalsContact O-CB 3.28Å; R391-A395 WeakPolarHBondContact O-CB 3.38Å; R391-A395 PolarHBondContact O-N 3.16Å; A392-A395 WeakPolarHBondContact O-CB 3.3Å; A392-A395 PolarHBondContact O-N 3.02Å; R393-A395 VanDerWaalsContact C-N 3.27Å; R393-A395 PolarHBondContact O-N 3Å; A395-D397 PolarHBondContact O-N 3.3Å; A395-S398 PolarHBondContact O-N 3.49Å; A395-S398 PolarHBondContact O-OG 3.18Å; A395-P419 WeakPolarHBondContact O-CB 3.36Å; A395-P419 WeakPolarHBondContact O-CG 3.45Å
396	F	48.9	Very low	58.6	Low	92 Å²	92	99.7 Å²	99.7	40%	0.404	48%	0.477	S	S	.	.	H	α-helix	trans	-50	-33.4	176.2	-88.4	-85.8	0	0	0	116.9	A392 R393 L418 P419 F437	A392-F396 WeakPolarHBondContact O-CD2 3.47Å; A392-F396 PolarHBondContact O-N 3.36Å; R393-F396 CarbonylContact O-C 3.56Å; R393-F396 WeakPolarHBondContact O-CA 3.3Å; R393-F396 VanDerWaalsContact O-CB 3.32Å; R393-F396 WeakPolarHBondContact O-CB 3.41Å; R393-F396 PolarHBondContact O-N 2.79Å; F396-L418 HydrophobicContact CD1-CD2 4.16Å; F396-L418 HydrophobicContact CE1-CD2 3.72Å; F396-L418 HydrophobicContact CZ-CD2 4.5Å; F396-P419 WeakPolarHBondContact O-CG 3.43Å; F396-F437 HydrophobicContact CE1-CZ 4.1Å; F396-F437 HydrophobicContact CZ-CE1 4.43Å; F396-F437 HydrophobicContact CZ-CE2 4.01Å; F396-F437 AromaticContact CZ-CZ 3.48Å; F396-F437 HydrophobicContact CZ-CZ 3.48Å; F396-F437 VanDerWaalsContact CZ-CZ 3.48Å
397	D	46.9	Very low	59.4	Low	128 Å²	128	97.7 Å²	97.7	68%	0.684	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-2.4	179.7	-60.5	-30.9	0	0	0	113.7	R393 A395	R393-D397 PolarHBondContact O-N 3.06Å; A395-D397 PolarHBondContact O-N 3.3Å
398	S	50.7	Low	60.1	Low	53 Å²	53	97.6 Å²	97.6	37%	0.371	48%	0.48	S	S	.	.	S	Bend	trans	-73.5	133.4	173.7	54.9	0	0	0	0	109.9	K394 A395 P400 P419	K394-S398 WeakPolarHBondContact O-CB 3.48Å; K394-S398 PolarHBondContact O-N 3.45Å; K394-S398 PolarHBondContact O-OG 3.33Å; A395-S398 PolarHBondContact O-N 3.49Å; A395-S398 PolarHBondContact O-OG 3.18Å; S398-P400 WeakPolarHBondContact O-CD 3.48Å; S398-P400 VanDerWaalsContact O-N 3.14Å; S398-P419 WeakPolarHBondContact O-CB 3.5Å; S398-P419 WeakPolarHBondContact O-CG 3.36Å; S398-P419 WeakPolarHBondContact OG-CB 3.28Å
399	D	51.1	Low	60.3	Low	117 Å²	117	102.2 Å²	102.2	63%	0.626	50%	0.503	S	S	*	.			trans	-49.3	121.1	-179.1	-62.8	-38	0	0	0	110.3	K401	D399-K401 HydrophobicContact CB-CG 4Å; D399-K401 PolarHBondContact O-N 3.24Å
400	P	52.8	Low	60.8	Low	60 Å²	60	103.7 Å²	103.7	39%	0.39	52%	0.517	S	S	.	.			trans	-72.5	84.9	177.2	30.9	-34.6	0	0	0	108.4	S398 T402 T416 A417	S398-P400 WeakPolarHBondContact O-CD 3.48Å; S398-P400 VanDerWaalsContact O-N 3.14Å; P400-T402 PolarHBondContact O-N 3.26Å; P400-T416 HydrophobicContact CB-CG2 4.47Å; P400-T416 HydrophobicContact CG-CG2 4.23Å; P400-A417 WeakPolarHBondContact CB-O 3.32Å
401	K	53.7	Low	61.7	Low	179 Å²	179	102.7 Å²	102.7	78%	0.778	52%	0.522	S	S	*	.			trans	-80.3	4.7	-176.6	-70.1	-176.3	-178.3	-180	0	113.7	D399	D399-K401 HydrophobicContact CB-CG 4Å; D399-K401 PolarHBondContact O-N 3.24Å
402	T	69.7	Low	62.8	Low	88 Å²	88	98.2 Å²	98.2	54%	0.54	52%	0.517	S	S	.	.	S	Bend	trans	-131.7	139.6	-179.3	56.8	0	0	0	0	111.6	P400 A417	P400-T402 PolarHBondContact O-N 3.26Å; T402-A417 VanDerWaalsContact O-CB 3.32Å; T402-A417 WeakPolarHBondContact O-CB 3.5Å; T402-A417 PolarHBondContact O-N 3.42Å
403	K	77.7	Confident	64.2	Low	157 Å²	157	97.5 Å²	97.5	68%	0.683	51%	0.51	S	S	*	.	B	Isolated β-bridge	trans	-64.1	154.1	169	-63.6	-173.7	175.9	-167.7	0	110.1	A405	K403-A405 PolarHBondContact O-N 3.33Å
404	C	80.4	Confident	65.7	Low	10 Å²	10	96.9 Å²	96.9	7%	0.068	52%	0.517	C	S	.	.			trans	-55.5	131.6	171.6	-173.7	0	0	0	0	110.2	Y406 C413 Q415 Q422 C424	C404-Y406 PolarHBondContact O-N 3.24Å; C404-Y406 WeakPolarHBondContact SG-CB 3.16Å; C404-C413 HydrophobicContact CB-CB 3.84Å; C404-Q415 VanDerWaalsContact CB-O 3.26Å; C404-Q415 WeakPolarHBondContact CB-O 3.36Å; C404-Q415 PolarHBondContact N-O 3.46Å; C404-Q422 CarbonylContact C-O 3.49Å; C404-Q422 WeakPolarHBondContact CA-O 3.37Å; C404-C424 HydrophobicContact CB-CB 4.11Å; C404-C424 PolarHBondContact SG-N 2.7Å; C404-C424 VanDerWaalsContact SG-SG 3.67Å
405	A	79.8	Confident	67	Low	60 Å²	60	95.1 Å²	95.1	50%	0.496	51%	0.511	S	S	.	.			trans	-78.4	4	177.3	0	0	0	0	0	113.4	K403 A407 Q422	K403-A405 PolarHBondContact O-N 3.33Å; A405-A407 PolarHBondContact O-N 3.43Å; A405-Q422 HydrophobicContact CB-CB 3.97Å; A405-Q422 PolarHBondContact N-O 3.23Å
406	Y	79.6	Confident	68.2	Low	55 Å²	55	98.5 Å²	98.5	22%	0.216	53%	0.53	C	S	.	.			trans	-78.4	122.7	178.4	-171	-101.3	0	0	0	109.8	C404 E408 C413 F423 H427 C430	C404-Y406 PolarHBondContact O-N 3.24Å; C404-Y406 WeakPolarHBondContact SG-CB 3.16Å; Y406-E408 HydrophobicContact CE1-CG 3.62Å; Y406-E408 WeakPolarHBondContact OH-CG 3.22Å; Y406-E408 PolarHBondContact OH-OE1 3.33Å; Y406-C413 HydrophobicContact CD1-CB 4.43Å; Y406-C413 WeakPolarHBondContact O-CB 3.37Å; Y406-C413 PolarHBondContact O-N 3.24Å; Y406-F423 HydrophobicContact CD2-CE1 4.37Å; Y406-H427 WeakPolarHBondContact CB-ND1 3.41Å; Y406-H427 AromaticContact CD1-CD2 3.52Å; Y406-H427 AromaticContact CD1-CE1 3.29Å; Y406-H427 WeakPolarHBondContact CD1-CE1 3.34Å; Y406-H427 AromaticContact CD1-CG 3.64Å; Y406-H427 AromaticContact CD1-ND1 3.49Å; Y406-H427 WeakPolarHBondContact CD1-ND1 3.48Å; Y406-H427 AromaticContact CD1-NE2 3.32Å; Y406-H427 VanDerWaalsContact CD1-NE2 3.32Å; Y406-H427 WeakPolarHBondContact CD1-NE2 3.48Å; Y406-H427 HydrophobicContact CD2-CB 4.2Å; Y406-H427 AromaticContact CE1-CD2 3.61Å; Y406-H427 AromaticContact CE1-CE1 3.82Å; Y406-H427 AromaticContact CE1-NE2 3.37Å; Y406-H427 WeakPolarHBondContact CE1-NE2 3.34Å; Y406-H427 HydrophobicContact CG-CB 4.02Å; Y406-H427 AromaticContact CG-CD2 3.73Å; Y406-H427 AromaticContact CG-CE1 3.9Å; Y406-H427 AromaticContact CG-CG 3.5Å; Y406-H427 VanDerWaalsContact CG-CG 3.5Å; Y406-H427 AromaticContact CG-ND1 3.6Å; Y406-H427 AromaticContact CZ-CD2 3.97Å; Y406-C430 HydrophobicContact CD2-CB 4.47Å
407	A	75.9	Confident	69.5	Low	74 Å²	74	94.2 Å²	94.2	61%	0.612	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.2	121.1	171.9	0	0	0	0	0	108.6	A405	A405-A407 PolarHBondContact O-N 3.43Å
408	E	70.6	Confident	70.7	Confident	116 Å²	116	88.9 Å²	88.9	54%	0.542	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	159.7	160.2	-80.4	-179.9	163.1	0	0	108.8	Y406 E410 S411	Y406-E408 HydrophobicContact CE1-CG 3.62Å; Y406-E408 WeakPolarHBondContact OH-CG 3.22Å; Y406-E408 PolarHBondContact OH-OE1 3.33Å; E408-E410 PolarHBondContact O-N 3Å; E408-S411 PolarHBondContact N-O 3.19Å; E408-S411 PolarHBondContact O-N 3.05Å
409	E	64.3	Low	71.4	Confident	209 Å²	209	87.4 Å²	87.4	98%	0.977	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-22.4	-168.9	-66.6	-179.8	166.4	0	0	114.7
410	E	65.3	Low	72.1	Confident	195 Å²	195	87.4 Å²	87.4	91%	0.911	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.5	0.1	178	-69.8	-178	157.7	0	0	114.9	E408	E408-E410 PolarHBondContact O-N 3Å
411	S	71.1	Confident	73.1	Confident	73 Å²	73	85.4 Å²	85.4	51%	0.51	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	131.6	175	67.5	0	0	0	0	113.7	E408	E408-S411 PolarHBondContact N-O 3.19Å; E408-S411 PolarHBondContact O-N 3.05Å
412	S	77.2	Confident	74.2	Confident	78 Å²	78	83 Å²	83	55%	0.545	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	138.5	167.1	59	0	0	0	0	110.1	D414	S412-D414 PolarHBondContact O-N 3.17Å
413	C	81.5	Confident	74.9	Confident	18 Å²	18	80.2 Å²	80.2	12%	0.122	44%	0.44	C	S	.	.			trans	-66.8	121.5	177.5	-178.9	0	0	0	0	111.7	C404 Y406 Q415 H427	C404-C413 HydrophobicContact CB-CB 3.84Å; Y406-C413 HydrophobicContact CD1-CB 4.43Å; Y406-C413 WeakPolarHBondContact O-CB 3.37Å; Y406-C413 PolarHBondContact O-N 3.24Å; C413-Q415 VanDerWaalsContact C-N 3.28Å; C413-Q415 PolarHBondContact O-N 3.35Å; C413-Q415 PolarHBondContact SG-N 2.9Å; C413-H427 PolarHBondContact SG-CE1 3.36Å; C413-H427 PolarHBondContact SG-ND1 3.07Å; C413-H427 VanDerWaalsContact SG-ND1 3.38Å
414	D	77	Confident	75.2	Confident	133 Å²	133	72.8 Å²	72.8	71%	0.711	41%	0.408	S	S	*	.			trans	-80.9	-4.9	178.1	-72.2	-36.3	0	0	0	114.1	S412	S412-D414 PolarHBondContact O-N 3.17Å
415	Q	78.5	Confident	75.1	Confident	83 Å²	83	76.7 Å²	76.7	39%	0.388	43%	0.427	S	S	.	.	S	Bend	trans	-72	146.9	179.7	-64.4	-178.4	-10	0	0	111.6	C404 C413 C424 D426	C404-Q415 VanDerWaalsContact CB-O 3.26Å; C404-Q415 WeakPolarHBondContact CB-O 3.36Å; C404-Q415 PolarHBondContact N-O 3.46Å; C413-Q415 VanDerWaalsContact C-N 3.28Å; C413-Q415 PolarHBondContact O-N 3.35Å; C413-Q415 PolarHBondContact SG-N 2.9Å; Q415-C424 HydrophobicContact CB-CB 3.56Å; Q415-C424 PolarHBondContact OE1-SG 3Å; Q415-D426 PolarHBondContact NE2-OD2 3.42Å; Q415-D426 PolarHBondContact OE1-OD2 3.19Å
416	T	78.8	Confident	75	Confident	91 Å²	91	78 Å²	78	56%	0.558	43%	0.426	S	S	*	.	B	Isolated β-bridge	trans	-65.8	133.5	172.6	46	0	0	0	0	110.8	P400 C424	P400-T416 HydrophobicContact CB-CG2 4.47Å; P400-T416 HydrophobicContact CG-CG2 4.23Å; T416-C424 WeakPolarHBondContact O-CB 3.08Å
417	A	77.4	Confident	75.2	Confident	2 Å²	2	77.4 Å²	77.4	2%	0.017	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-63.2	144.4	175.8	0	0	0	0	0	110.8	P400 T402	P400-A417 WeakPolarHBondContact CB-O 3.32Å; T402-A417 VanDerWaalsContact O-CB 3.32Å; T402-A417 WeakPolarHBondContact O-CB 3.5Å; T402-A417 PolarHBondContact O-N 3.42Å
418	L	70.7	Confident	75.4	Confident	16 Å²	16	73.9 Å²	73.9	8%	0.084	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-61.3	142.9	169.2	-84.7	169	0	0	0	109	F396 S420 S421 F423 I425 V428 F437	F396-L418 HydrophobicContact CD1-CD2 4.16Å; F396-L418 HydrophobicContact CE1-CD2 3.72Å; F396-L418 HydrophobicContact CZ-CD2 4.5Å; L418-S420 PolarHBondContact O-N 3.37Å; L418-S421 CarbonylContact O-C 3.47Å; L418-S421 WeakPolarHBondContact O-CA 3.11Å; L418-S421 WeakPolarHBondContact O-CB 3.49Å; L418-S421 PolarHBondContact O-N 3.48Å; L418-F423 WeakPolarHBondContact CB-O 3.44Å; L418-F423 PolarHBondContact N-O 3.24Å; L418-I425 HydrophobicContact CD1-CB 4.45Å; L418-I425 HydrophobicContact CD1-CG1 3.84Å; L418-I425 HydrophobicContact CD2-CD1 4.23Å; L418-I425 HydrophobicContact CD2-CG1 3.59Å; L418-I425 HydrophobicContact CG-CG1 3.74Å; L418-V428 HydrophobicContact CD1-CB 3.98Å; L418-V428 HydrophobicContact CD1-CG2 3.6Å; L418-F437 HydrophobicContact CD1-CE2 3.78Å; L418-F437 HydrophobicContact CD1-CZ 3.85Å
419	P	65.5	Low	75.8	Confident	21 Å²	21	71.6 Å²	71.6	14%	0.136	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	142.7	-174.4	-6.7	22.6	0	0	0	110.1	A395 F396 S398 S421	A395-P419 WeakPolarHBondContact O-CB 3.36Å; A395-P419 WeakPolarHBondContact O-CG 3.45Å; F396-P419 WeakPolarHBondContact O-CG 3.43Å; S398-P419 WeakPolarHBondContact O-CB 3.5Å; S398-P419 WeakPolarHBondContact O-CG 3.36Å; S398-P419 WeakPolarHBondContact OG-CB 3.28Å; P419-S421 PolarHBondContact O-N 2.9Å
420	S	66.4	Low	76.5	Confident	117 Å²	117	64.8 Å²	64.8	82%	0.818	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	-0.3	-164.1	73.3	0	0	0	0	116.5	L418	L418-S420 PolarHBondContact O-N 3.37Å
421	S	73.9	Confident	77	Confident	18 Å²	18	56.6 Å²	56.6	13%	0.126	33%	0.325	C	S	.	.	S	Bend	trans	-113.5	160.7	169	-179.2	0	0	0	0	110.2	L418 P419 F423 D431	L418-S421 CarbonylContact O-C 3.47Å; L418-S421 WeakPolarHBondContact O-CA 3.11Å; L418-S421 WeakPolarHBondContact O-CB 3.49Å; L418-S421 PolarHBondContact O-N 3.48Å; P419-S421 PolarHBondContact O-N 2.9Å; S421-F423 PolarHBondContact OG-N 2.9Å; S421-D431 WeakPolarHBondContact CB-OD2 3.09Å; S421-D431 PolarHBondContact OG-OD2 2.57Å
422	Q	77.8	Confident	77.1	Confident	128 Å²	128	62.4 Å²	62.4	60%	0.598	34%	0.344	S	S	*	.	S	Bend	trans	-90	-4.5	168.9	-66.7	-177.5	-16	0	0	112.3	C404 A405	C404-Q422 CarbonylContact C-O 3.49Å; C404-Q422 WeakPolarHBondContact CA-O 3.37Å; A405-Q422 HydrophobicContact CB-CB 3.97Å; A405-Q422 PolarHBondContact N-O 3.23Å
423	F	84.1	Confident	76.6	Confident	30 Å²	30	68.1 Å²	68.1	13%	0.132	36%	0.359	C	S	.	.	S	Bend	trans	-119.3	149.2	-171.1	-61.3	-89.4	0	0	0	111.6	Y406 L418 S421 H427 C430 D431	Y406-F423 HydrophobicContact CD2-CE1 4.37Å; L418-F423 WeakPolarHBondContact CB-O 3.44Å; L418-F423 PolarHBondContact N-O 3.24Å; S421-F423 PolarHBondContact OG-N 2.9Å; F423-H427 HydrophobicContact CB-CB 4.13Å; F423-H427 WeakPolarHBondContact CB-O 3.37Å; F423-H427 HydrophobicContact CD1-CB 4.01Å; F423-C430 HydrophobicContact CD1-CB 4.13Å; F423-C430 HydrophobicContact CE1-CB 3.96Å; F423-C430 HydrophobicContact CZ-CB 4.35Å; F423-D431 HydrophobicContact CD2-CB 3.46Å; F423-D431 VanDerWaalsContact CD2-CB 3.46Å; F423-D431 HydrophobicContact CE2-CB 3.89Å; F423-D431 HydrophobicContact CG-CB 4.34Å
424	C	83.8	Confident	76.4	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.007	36%	0.362	C	S	.	.			trans	-70	177.1	172.3	64.3	0	0	0	0	111.4	C404 Q415 T416 D426 H427 V428	C404-C424 HydrophobicContact CB-CB 4.11Å; C404-C424 PolarHBondContact SG-N 2.7Å; C404-C424 VanDerWaalsContact SG-SG 3.67Å; Q415-C424 HydrophobicContact CB-CB 3.56Å; Q415-C424 PolarHBondContact OE1-SG 3Å; T416-C424 WeakPolarHBondContact O-CB 3.08Å; C424-D426 VanDerWaalsContact C-N 3.27Å; C424-D426 PolarHBondContact O-N 3.31Å; C424-H427 CarbonylContact O-C 3.59Å; C424-H427 PolarHBondContact O-N 3.4Å; C424-H427 PolarHBondContact SG-N 2.91Å; C424-H427 VanDerWaalsContact SG-N 3.38Å; C424-H427 PolarHBondContact SG-ND1 3.23Å; C424-V428 WeakPolarHBondContact O-CA 3.19Å; C424-V428 WeakPolarHBondContact O-CB 3.29Å; C424-V428 PolarHBondContact O-N 2.96Å
425	I	78.1	Confident	75.8	Confident	92 Å²	92	66.8 Å²	66.8	47%	0.472	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-42.8	177.7	-66.2	167.7	0	0	0	110.8	L418 H427 V428 P448	L418-I425 HydrophobicContact CD1-CB 4.45Å; L418-I425 HydrophobicContact CD1-CG1 3.84Å; L418-I425 HydrophobicContact CD2-CD1 4.23Å; L418-I425 HydrophobicContact CD2-CG1 3.59Å; L418-I425 HydrophobicContact CG-CG1 3.74Å; I425-H427 PolarHBondContact O-N 3.44Å; I425-V428 WeakPolarHBondContact O-CB 3.33Å; I425-V428 WeakPolarHBondContact O-CG1 3.46Å; I425-V428 PolarHBondContact O-N 2.86Å; I425-P448 HydrophobicContact CG2-CG 4.22Å; I425-P448 WeakPolarHBondContact O-CG 3.49Å
426	D	77.5	Confident	75.3	Confident	88 Å²	88	66 Å²	66	47%	0.471	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-33	-175.7	-63.5	-30.5	0	0	0	112.7	Q415 C424	Q415-D426 PolarHBondContact NE2-OD2 3.42Å; Q415-D426 PolarHBondContact OE1-OD2 3.19Å; C424-D426 VanDerWaalsContact C-N 3.27Å; C424-D426 PolarHBondContact O-N 3.31Å
427	H	83.4	Confident	75.3	Confident	42 Å²	42	62.8 Å²	62.8	19%	0.194	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	5.9	178.9	-57.6	129.4	0	0	0	113.8	Y406 C413 F423 C424 I425 L429 C430	Y406-H427 WeakPolarHBondContact CB-ND1 3.41Å; Y406-H427 AromaticContact CD1-CD2 3.52Å; Y406-H427 AromaticContact CD1-CE1 3.29Å; Y406-H427 WeakPolarHBondContact CD1-CE1 3.34Å; Y406-H427 AromaticContact CD1-CG 3.64Å; Y406-H427 AromaticContact CD1-ND1 3.49Å; Y406-H427 WeakPolarHBondContact CD1-ND1 3.48Å; Y406-H427 AromaticContact CD1-NE2 3.32Å; Y406-H427 VanDerWaalsContact CD1-NE2 3.32Å; Y406-H427 WeakPolarHBondContact CD1-NE2 3.48Å; Y406-H427 HydrophobicContact CD2-CB 4.2Å; Y406-H427 AromaticContact CE1-CD2 3.61Å; Y406-H427 AromaticContact CE1-CE1 3.82Å; Y406-H427 AromaticContact CE1-NE2 3.37Å; Y406-H427 WeakPolarHBondContact CE1-NE2 3.34Å; Y406-H427 HydrophobicContact CG-CB 4.02Å; Y406-H427 AromaticContact CG-CD2 3.73Å; Y406-H427 AromaticContact CG-CE1 3.9Å; Y406-H427 AromaticContact CG-CG 3.5Å; Y406-H427 VanDerWaalsContact CG-CG 3.5Å; Y406-H427 AromaticContact CG-ND1 3.6Å; Y406-H427 AromaticContact CZ-CD2 3.97Å; C413-H427 PolarHBondContact SG-CE1 3.36Å; C413-H427 PolarHBondContact SG-ND1 3.07Å; C413-H427 VanDerWaalsContact SG-ND1 3.38Å; F423-H427 HydrophobicContact CB-CB 4.13Å; F423-H427 WeakPolarHBondContact CB-O 3.37Å; F423-H427 HydrophobicContact CD1-CB 4.01Å; C424-H427 CarbonylContact O-C 3.59Å; C424-H427 PolarHBondContact O-N 3.4Å; C424-H427 PolarHBondContact SG-N 2.91Å; C424-H427 VanDerWaalsContact SG-N 3.38Å; C424-H427 PolarHBondContact SG-ND1 3.23Å; I425-H427 PolarHBondContact O-N 3.44Å; H427-L429 PolarHBondContact O-N 2.89Å; H427-C430 VanDerWaalsContact O-CB 3.31Å; H427-C430 WeakPolarHBondContact O-CB 3.37Å; H427-C430 PolarHBondContact O-N 2.95Å
428	V	80.4	Confident	75.4	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.006	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-58.6	-26.3	-175.7	76	0	0	0	0	112.7	L418 C424 I425 C430 D431 Q434 F437 P448	L418-V428 HydrophobicContact CD1-CB 3.98Å; L418-V428 HydrophobicContact CD1-CG2 3.6Å; C424-V428 WeakPolarHBondContact O-CA 3.19Å; C424-V428 WeakPolarHBondContact O-CB 3.29Å; C424-V428 PolarHBondContact O-N 2.96Å; I425-V428 WeakPolarHBondContact O-CB 3.33Å; I425-V428 WeakPolarHBondContact O-CG1 3.46Å; I425-V428 PolarHBondContact O-N 2.86Å; V428-C430 PolarHBondContact O-N 3.4Å; V428-D431 WeakPolarHBondContact O-CB 3.39Å; V428-D431 PolarHBondContact O-N 3.37Å; V428-Q434 HydrophobicContact CG2-CG 3.66Å; V428-Q434 PolarHBondContact O-OE1 2.84Å; V428-Q434 VanDerWaalsContact O-OE1 3.11Å; V428-F437 HydrophobicContact CG1-CB 4.01Å; V428-F437 HydrophobicContact CG1-CD2 4.2Å; V428-F437 HydrophobicContact CG1-CG 4.04Å; V428-F437 HydrophobicContact CG2-CD2 3.65Å; V428-F437 HydrophobicContact CG2-CE2 3.94Å; V428-F437 HydrophobicContact CG2-CG 4.32Å; V428-P448 HydrophobicContact CG1-CB 3.61Å; V428-P448 HydrophobicContact CG1-CG 3.76Å
429	L	79.3	Confident	75.9	Confident	68 Å²	68	72.4 Å²	72.4	36%	0.356	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-73	-12.7	177.6	-61.8	176.8	0	0	0	113.5	H427 D431 K439 P448	H427-L429 PolarHBondContact O-N 2.89Å; L429-D431 VanDerWaalsContact C-N 3.34Å; L429-K439 HydrophobicContact CD1-CB 4.17Å; L429-P448 HydrophobicContact CD1-CB 4.4Å; L429-P448 HydrophobicContact CD2-CB 4.34Å; L429-P448 HydrophobicContact CG-CB 4.2Å
430	C	78	Confident	76.7	Confident	66 Å²	66	71.7 Å²	71.7	45%	0.446	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-83.2	-10.8	172.1	-60.8	0	0	0	0	112.6	Y406 F423 H427 V428 E432	Y406-C430 HydrophobicContact CD2-CB 4.47Å; F423-C430 HydrophobicContact CD1-CB 4.13Å; F423-C430 HydrophobicContact CE1-CB 3.96Å; F423-C430 HydrophobicContact CZ-CB 4.35Å; H427-C430 VanDerWaalsContact O-CB 3.31Å; H427-C430 WeakPolarHBondContact O-CB 3.37Å; H427-C430 PolarHBondContact O-N 2.95Å; V428-C430 PolarHBondContact O-N 3.4Å; C430-E432 PolarHBondContact O-N 3.25Å
431	D	77.1	Confident	77.3	Confident	23 Å²	23	72.1 Å²	72.1	12%	0.123	37%	0.365	C	S	.	.			trans	-82.5	113.4	-179.7	-167.5	-18.7	0	0	0	111.4	S421 F423 V428 L429 K433 Q434	S421-D431 WeakPolarHBondContact CB-OD2 3.09Å; S421-D431 PolarHBondContact OG-OD2 2.57Å; F423-D431 HydrophobicContact CD2-CB 3.46Å; F423-D431 VanDerWaalsContact CD2-CB 3.46Å; F423-D431 HydrophobicContact CE2-CB 3.89Å; F423-D431 HydrophobicContact CG-CB 4.34Å; V428-D431 WeakPolarHBondContact O-CB 3.39Å; V428-D431 PolarHBondContact O-N 3.37Å; L429-D431 VanDerWaalsContact C-N 3.34Å; D431-K433 PolarHBondContact O-N 3.25Å; D431-K433 PolarHBondContact OD1-N 3.26Å; D431-Q434 HydrophobicContact CB-CB 3.69Å; D431-Q434 WeakPolarHBondContact O-CB 3.36Å; D431-Q434 PolarHBondContact O-N 2.74Å
432	E	72.3	Confident	77.4	Confident	195 Å²	195	75.2 Å²	75.2	91%	0.911	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.5	176.7	-66	-173.9	164	0	0	113.8	C430 Q434	C430-E432 PolarHBondContact O-N 3.25Å; E432-Q434 VanDerWaalsContact C-N 3.33Å
433	K	66.6	Low	76.9	Confident	198 Å²	198	74.5 Å²	74.5	86%	0.861	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	0.9	-176.1	-66.2	179.6	-177.5	171.4	0	113.1	D431	D431-K433 PolarHBondContact O-N 3.25Å; D431-K433 PolarHBondContact OD1-N 3.26Å
434	Q	77.2	Confident	76.4	Confident	42 Å²	42	82 Å²	82	20%	0.196	42%	0.422	C	S	.	.			trans	-91.9	133.4	-171.5	173.1	-91.9	-41.6	0	0	112	V428 D431 E432 F437	V428-Q434 HydrophobicContact CG2-CG 3.66Å; V428-Q434 PolarHBondContact O-OE1 2.84Å; V428-Q434 VanDerWaalsContact O-OE1 3.11Å; D431-Q434 HydrophobicContact CB-CB 3.69Å; D431-Q434 WeakPolarHBondContact O-CB 3.36Å; D431-Q434 PolarHBondContact O-N 2.74Å; E432-Q434 VanDerWaalsContact C-N 3.33Å; Q434-F437 HydrophobicContact CG-CD2 4.24Å; Q434-F437 VanDerWaalsContact NE2-C 3.34Å; Q434-F437 PolarHBondContact NE2-O 2.87Å
435	A	65.3	Low	76.3	Confident	80 Å²	80	82.9 Å²	82.9	66%	0.661	43%	0.428	S	S	*	.			trans	-127.4	0.9	-173.4	0	0	0	0	0	114.8
436	L	67.4	Low	76.1	Confident	67 Å²	67	87.6 Å²	87.6	35%	0.351	45%	0.445	S	S	.	.	S	Bend	trans	-104.6	-10.7	-170.7	-65.2	-179	0	0	0	115	L451	L436-L451 PolarHBondContact O-N 3.23Å
437	F	79.9	Confident	76.2	Confident	24 Å²	24	88.4 Å²	88.4	11%	0.105	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	145.6	-175	-55.4	-95.2	0	0	0	110.2	F396 L418 V428 Q434 P448 R449 K450	F396-F437 HydrophobicContact CE1-CZ 4.1Å; F396-F437 HydrophobicContact CZ-CE1 4.43Å; F396-F437 HydrophobicContact CZ-CE2 4.01Å; F396-F437 AromaticContact CZ-CZ 3.48Å; F396-F437 HydrophobicContact CZ-CZ 3.48Å; F396-F437 VanDerWaalsContact CZ-CZ 3.48Å; L418-F437 HydrophobicContact CD1-CE2 3.78Å; L418-F437 HydrophobicContact CD1-CZ 3.85Å; V428-F437 HydrophobicContact CG1-CB 4.01Å; V428-F437 HydrophobicContact CG1-CD2 4.2Å; V428-F437 HydrophobicContact CG1-CG 4.04Å; V428-F437 HydrophobicContact CG2-CD2 3.65Å; V428-F437 HydrophobicContact CG2-CE2 3.94Å; V428-F437 HydrophobicContact CG2-CG 4.32Å; Q434-F437 HydrophobicContact CG-CD2 4.24Å; Q434-F437 VanDerWaalsContact NE2-C 3.34Å; Q434-F437 PolarHBondContact NE2-O 2.87Å; F437-P448 HydrophobicContact CB-CB 4.28Å; F437-P448 HydrophobicContact CD1-CB 4.31Å; F437-R449 CarbonylContact C-O 3.55Å; F437-R449 WeakPolarHBondContact CA-O 3.3Å; F437-K450 HydrophobicContact CD1-CG 4.46Å; F437-K450 HydrophobicContact CE1-CG 4.34Å
438	L	78.4	Confident	76.1	Confident	71 Å²	71	87.3 Å²	87.3	37%	0.372	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	165	176.1	-70.7	167.6	0	0	0	108.4	P448 R449 L451	L438-P448 CarbonylContact O-C 3.38Å; L438-P448 WeakPolarHBondContact O-CA 3.39Å; L438-R449 HydrophobicContact CB-CG 4.09Å; L438-R449 PolarHBondContact N-O 2.72Å; L438-R449 WeakPolarHBondContact O-CG 3.42Å; L438-R449 PolarHBondContact O-N 2.91Å; L438-L451 HydrophobicContact CD1-CD1 3.6Å; L438-L451 HydrophobicContact CG-CD1 4.35Å
439	K	82.3	Confident	76.1	Confident	148 Å²	148	89.3 Å²	89.3	64%	0.643	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63	154.1	169.1	63.9	177.4	-177.7	175.8	0	110.9	L429 K447 R449	L429-K439 HydrophobicContact CD1-CB 4.17Å; K439-K447 CarbonylContact C-O 3.53Å; K439-R449 WeakPolarHBondContact O-CD 3.48Å; K439-R449 PolarHBondContact O-NH1 2.94Å
440	C	81.7	Confident	76	Confident	6 Å²	6	90.8 Å²	90.8	4%	0.041	45%	0.452	C	S	.	.			trans	-56.9	147	174.1	-163.1	0	0	0	0	111.3	C445 K447 C456 H459	C440-C445 HydrophobicContact CB-CB 3.68Å; C440-C445 WeakPolarHBondContact CB-O 3.31Å; C440-C445 VanDerWaalsContact CB-SG 3.52Å; C440-K447 PolarHBondContact N-O 2.94Å; C440-C456 HydrophobicContact CB-CB 4.21Å; C440-C456 PolarHBondContact SG-N 2.86Å; C440-C456 VanDerWaalsContact SG-N 3.39Å; C440-H459 PolarHBondContact SG-ND1 3.17Å
441	E	78.9	Confident	75.8	Confident	127 Å²	127	92.2 Å²	92.2	59%	0.593	46%	0.455	S	S	*	.	S	Bend	trans	-79.6	-8.5	176.7	-159.3	168.4	-174.1	0	0	112.6	K454	E441-K454 WeakPolarHBondContact CB-O 3.43Å
442	E	76.6	Confident	75.2	Confident	83 Å²	83	99.5 Å²	99.5	39%	0.388	48%	0.481	S	S	.	.	S	Bend	trans	-75	137.5	174.2	-171.8	53.4	-110.4	0	0	111.6	E444 C445 H459	E442-E444 PolarHBondContact O-N 3.31Å; E442-C445 HydrophobicContact CB-CB 4.12Å; E442-C445 PolarHBondContact O-N 2.97Å; E442-H459 VanDerWaalsContact CB-CE1 3.41Å; E442-H459 WeakPolarHBondContact CB-CE1 3.39Å; E442-H459 WeakPolarHBondContact CB-ND1 3.28Å; E442-H459 VanDerWaalsContact CG-CE1 3.46Å; E442-H459 WeakPolarHBondContact CG-CE1 3.36Å
443	S	65.7	Low	75	Confident	113 Å²	113	93.4 Å²	93.4	79%	0.79	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-30.2	-164.9	-32.8	0	0	0	0	115.1
444	E	74.8	Confident	75.3	Confident	187 Å²	187	91 Å²	91	87%	0.874	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.5	2	-172.8	-61.7	-177.4	174.5	0	0	113.3	E442	E442-E444 PolarHBondContact O-N 3.31Å
445	C	80.4	Confident	75.4	Confident	19 Å²	19	92.4 Å²	92.4	13%	0.128	45%	0.449	C	S	.	.			trans	-99.6	112.7	-172	-176.6	0	0	0	0	112.9	C440 E442 K447 C456 H459	C440-C445 HydrophobicContact CB-CB 3.68Å; C440-C445 WeakPolarHBondContact CB-O 3.31Å; C440-C445 VanDerWaalsContact CB-SG 3.52Å; E442-C445 HydrophobicContact CB-CB 4.12Å; E442-C445 PolarHBondContact O-N 2.97Å; C445-K447 VanDerWaalsContact C-N 3.3Å; C445-K447 PolarHBondContact O-N 3.5Å; C445-C456 VanDerWaalsContact SG-SG 3.68Å; C445-H459 WeakPolarHBondContact CB-CE1 3.22Å
446	K	74.5	Confident	76	Confident	191 Å²	191	88.7 Å²	88.7	83%	0.83	42%	0.419	S	S	*	.			trans	-84	2.1	176.3	-63.3	-177.3	-178	178.1	0	114
447	K	80.3	Confident	76.2	Confident	105 Å²	105	89 Å²	89	46%	0.457	43%	0.431	S	S	.	.	S	Bend	trans	-73.4	148.1	-176.5	-65.8	179.9	173.6	175.1	0	111.9	K439 C440 C445 C456 D458	K439-K447 CarbonylContact C-O 3.53Å; C440-K447 PolarHBondContact N-O 2.94Å; C445-K447 VanDerWaalsContact C-N 3.3Å; C445-K447 PolarHBondContact O-N 3.5Å; K447-C456 HydrophobicContact CB-CB 4.03Å; K447-D458 WeakPolarHBondContact CD-OD2 3.06Å; K447-D458 WeakPolarHBondContact CE-OD2 2.88Å; K447-D458 IonicContact NZ-OD2 3.03Å; K447-D458 PolarHBondContact NZ-OD2 3.33Å
448	P	82	Confident	75.7	Confident	19 Å²	19	91.3 Å²	91.3	12%	0.123	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	142.2	176.1	12.8	-6.8	0	0	0	112	I425 V428 L429 F437 L438	I425-P448 HydrophobicContact CG2-CG 4.22Å; I425-P448 WeakPolarHBondContact O-CG 3.49Å; V428-P448 HydrophobicContact CG1-CB 3.61Å; V428-P448 HydrophobicContact CG1-CG 3.76Å; L429-P448 HydrophobicContact CD1-CB 4.4Å; L429-P448 HydrophobicContact CD2-CB 4.34Å; L429-P448 HydrophobicContact CG-CB 4.2Å; F437-P448 HydrophobicContact CB-CB 4.28Å; F437-P448 HydrophobicContact CD1-CB 4.31Å; L438-P448 CarbonylContact O-C 3.38Å; L438-P448 WeakPolarHBondContact O-CA 3.39Å
449	R	80	Confident	75.5	Confident	44 Å²	44	90.1 Å²	90.1	17%	0.166	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	150.8	170.6	77.8	179.6	-160.2	-111.4	8.6	109.4	F437 L438 K439 D453 K454	F437-R449 CarbonylContact C-O 3.55Å; F437-R449 WeakPolarHBondContact CA-O 3.3Å; L438-R449 HydrophobicContact CB-CG 4.09Å; L438-R449 PolarHBondContact N-O 2.72Å; L438-R449 WeakPolarHBondContact O-CG 3.42Å; L438-R449 PolarHBondContact O-N 2.91Å; K439-R449 WeakPolarHBondContact O-CD 3.48Å; K439-R449 PolarHBondContact O-NH1 2.94Å; R449-D453 WeakPolarHBondContact CD-O 3.39Å; R449-D453 PolarHBondContact NE-O 3.4Å; R449-K454 WeakPolarHBondContact CD-O 3.32Å
450	K	76.4	Confident	74.7	Confident	98 Å²	98	86.3 Å²	86.3	43%	0.426	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	149.4	172.5	-57.8	176	-173	163.3	0	109.6	F437 W452 D453	F437-K450 HydrophobicContact CD1-CG 4.46Å; F437-K450 HydrophobicContact CE1-CG 4.34Å; K450-W452 HydrophobicContact CB-CD2 4.4Å; K450-W452 HydrophobicContact CB-CZ2 4.21Å; K450-W452 HydrophobicContact CD-CZ2 3.95Å; K450-W452 PolarHBondContact O-N 3.29Å; K450-D453 HydrophobicContact CB-CB 4.36Å; K450-D453 WeakPolarHBondContact CB-OD2 3.36Å; K450-D453 WeakPolarHBondContact CD-OD2 3.44Å; K450-D453 PolarHBondContact O-N 3.33Å
451	L	73.4	Confident	73.7	Confident	97 Å²	97	91.4 Å²	91.4	51%	0.508	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-31.5	-176.4	-179.6	63.4	0	0	0	114.2	L436 L438	L436-L451 PolarHBondContact O-N 3.23Å; L438-L451 HydrophobicContact CD1-CD1 3.6Å; L438-L451 HydrophobicContact CG-CD1 4.35Å
452	W	64.5	Low	72.5	Confident	176 Å²	176	87.4 Å²	87.4	67%	0.667	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-6.1	-179.9	50.5	75.8	0	0	0	114.1	K450	K450-W452 HydrophobicContact CB-CD2 4.4Å; K450-W452 HydrophobicContact CB-CZ2 4.21Å; K450-W452 HydrophobicContact CD-CZ2 3.95Å; K450-W452 PolarHBondContact O-N 3.29Å
453	D	69.6	Low	71.3	Confident	67 Å²	67	85.8 Å²	85.8	36%	0.358	44%	0.444	S	S	.	.			trans	-98.2	142.3	177	-63.9	-30.7	0	0	0	110	R449 K450	R449-D453 WeakPolarHBondContact CD-O 3.39Å; R449-D453 PolarHBondContact NE-O 3.4Å; K450-D453 HydrophobicContact CB-CB 4.36Å; K450-D453 WeakPolarHBondContact CB-OD2 3.36Å; K450-D453 WeakPolarHBondContact CD-OD2 3.44Å; K450-D453 PolarHBondContact O-N 3.33Å
454	K	71.6	Confident	70.4	Confident	146 Å²	146	83.7 Å²	83.7	64%	0.635	43%	0.426	S	S	*	.	S	Bend	trans	-76.6	-35.5	176.9	-67.9	-171.1	177	-171.9	0	112.5	E441 R449	E441-K454 WeakPolarHBondContact CB-O 3.43Å; R449-K454 WeakPolarHBondContact CD-O 3.32Å
455	F	79.1	Confident	69.4	Low	72 Å²	72	77.6 Å²	77.6	32%	0.316	41%	0.408	S	S	.	.	S	Bend	trans	-122	160.4	-172.7	-59.5	-66.1	0	0	0	110.5	H459	F455-H459 HydrophobicContact CB-CB 3.71Å; F455-H459 HydrophobicContact CD1-CB 4.43Å; F455-H459 HydrophobicContact CG-CB 4.33Å
456	C	78.6	Confident	68.4	Low	3 Å²	3	81 Å²	81	2%	0.02	42%	0.421	C	S	.	.			trans	-71.6	171	171.8	64.7	0	0	0	0	110	C440 C445 K447 D458 H459 A460	C440-C456 HydrophobicContact CB-CB 4.21Å; C440-C456 PolarHBondContact SG-N 2.86Å; C440-C456 VanDerWaalsContact SG-N 3.39Å; C445-C456 VanDerWaalsContact SG-SG 3.68Å; K447-C456 HydrophobicContact CB-CB 4.03Å; C456-D458 VanDerWaalsContact C-N 3.27Å; C456-D458 PolarHBondContact O-N 2.71Å; C456-H459 PolarHBondContact O-N 2.98Å; C456-H459 VanDerWaalsContact O-N 3.16Å; C456-H459 VanDerWaalsContact SG-CG 3.59Å; C456-A460 WeakPolarHBondContact O-CB 3.16Å; C456-A460 PolarHBondContact O-N 3.28Å
457	A	71	Confident	67.4	Low	74 Å²	74	76.7 Å²	76.7	61%	0.612	40%	0.4	S	S	*	.	H	α-helix	trans	-52.7	-44.8	-178.4	0	0	0	0	0	112.4	A460 T461	A457-A460 WeakPolarHBondContact O-CB 3Å; A457-A460 PolarHBondContact O-N 2.8Å; A457-T461 PolarHBondContact O-N 3.43Å; A457-T461 VanDerWaalsContact O-N 3.1Å; A457-T461 PolarHBondContact O-OG1 2.78Å
458	D	70.3	Confident	65.9	Low	72 Å²	72	75.6 Å²	75.6	39%	0.385	40%	0.398	S	S	.	.	H	α-helix	trans	-69	-38.6	-178.4	-50	-33.1	0	0	0	112.6	K447 C456 A460 T461 M462	K447-D458 WeakPolarHBondContact CD-OD2 3.06Å; K447-D458 WeakPolarHBondContact CE-OD2 2.88Å; K447-D458 IonicContact NZ-OD2 3.03Å; K447-D458 PolarHBondContact NZ-OD2 3.33Å; C456-D458 VanDerWaalsContact C-N 3.27Å; C456-D458 PolarHBondContact O-N 2.71Å; D458-A460 VanDerWaalsContact C-N 3.33Å; D458-T461 PolarHBondContact O-N 2.75Å; D458-T461 PolarHBondContact O-OG1 2.8Å; D458-M462 WeakPolarHBondContact O-CG 3.46Å; D458-M462 PolarHBondContact O-N 3.01Å
459	H	74	Confident	64.5	Low	46 Å²	46	77.9 Å²	77.9	21%	0.213	42%	0.415	C	S	.	.	H	α-helix	trans	-77.4	-20.1	177	-71.9	173.7	0	0	0	113.4	C440 E442 C445 F455 C456	C440-H459 PolarHBondContact SG-ND1 3.17Å; E442-H459 VanDerWaalsContact CB-CE1 3.41Å; E442-H459 WeakPolarHBondContact CB-CE1 3.39Å; E442-H459 WeakPolarHBondContact CB-ND1 3.28Å; E442-H459 VanDerWaalsContact CG-CE1 3.46Å; E442-H459 WeakPolarHBondContact CG-CE1 3.36Å; C445-H459 WeakPolarHBondContact CB-CE1 3.22Å; F455-H459 HydrophobicContact CB-CB 3.71Å; F455-H459 HydrophobicContact CD1-CB 4.43Å; F455-H459 HydrophobicContact CG-CB 4.33Å; C456-H459 PolarHBondContact O-N 2.98Å; C456-H459 VanDerWaalsContact O-N 3.16Å; C456-H459 VanDerWaalsContact SG-CG 3.59Å
460	A	64.6	Low	63.3	Low	68 Å²	68	81.1 Å²	81.1	56%	0.562	43%	0.432	S	S	*	.	H	α-helix	trans	-73.5	-37.2	169.6	0	0	0	0	0	111.1	C456 A457 D458	C456-A460 WeakPolarHBondContact O-CB 3.16Å; C456-A460 PolarHBondContact O-N 3.28Å; A457-A460 WeakPolarHBondContact O-CB 3Å; A457-A460 PolarHBondContact O-N 2.8Å; D458-A460 VanDerWaalsContact C-N 3.33Å
461	T	60.5	Low	62.2	Low	112 Å²	112	81.1 Å²	81.1	69%	0.687	44%	0.44	S	S	*	.	H	α-helix	trans	-83.2	-16.2	178.7	52	0	0	0	0	114.4	A457 D458 S463	A457-T461 PolarHBondContact O-N 3.43Å; A457-T461 VanDerWaalsContact O-N 3.1Å; A457-T461 PolarHBondContact O-OG1 2.78Å; D458-T461 PolarHBondContact O-N 2.75Å; D458-T461 PolarHBondContact O-OG1 2.8Å; T461-S463 PolarHBondContact O-N 3.32Å
462	M	54.5	Low	61	Low	44 Å²	44	85.3 Å²	85.3	22%	0.217	45%	0.449	C	S	.	.	S	Bend	trans	-55.7	117.2	173.6	-71.6	-118	77.9	0	0	109.7	D458 E466 R467	D458-M462 WeakPolarHBondContact O-CG 3.46Å; D458-M462 PolarHBondContact O-N 3.01Å; M462-E466 HydrophobicContact CE-CB 3.59Å; M462-E466 HydrophobicContact CE-CG 3.8Å; M462-E466 VanDerWaalsContact CE-OE1 3.27Å; M462-E466 WeakPolarHBondContact CE-OE1 3.33Å; M462-E466 WeakPolarHBondContact CE-OE2 3.39Å; M462-R467 PolarHBondContact O-NH2 3.48Å
463	S	50.6	Low	60.1	Low	49 Å²	49	81.1 Å²	81.1	34%	0.343	45%	0.446	S	S	.	.			trans	-58.8	150.1	-179.1	65.1	0	0	0	0	109.7	T461 A465 E466 R467	T461-S463 PolarHBondContact O-N 3.32Å; S463-A465 PolarHBondContact O-N 2.73Å; S463-A465 VanDerWaalsContact O-N 3.13Å; S463-E466 PolarHBondContact N-OE2 3.4Å; S463-E466 VanDerWaalsContact N-OE2 3.09Å; S463-E466 PolarHBondContact O-N 3.21Å; S463-E466 WeakPolarHBondContact OG-CG 3.42Å; S463-E466 PolarHBondContact OG-N 2.76Å; S463-E466 VanDerWaalsContact OG-N 3.08Å; S463-E466 PolarHBondContact OG-OE2 2.7Å; S463-R467 PolarHBondContact O-N 2.7Å; S463-R467 VanDerWaalsContact O-N 3.13Å
464	V	48.6	Very low	59	Low	68 Å²	68	82 Å²	82	41%	0.412	46%	0.462	S	S	.	.	H	α-helix	trans	-55.3	-31.6	172.1	178	0	0	0	0	110.4	R467 I468 L574	V464-R467 PolarHBondContact O-N 2.71Å; V464-I468 HydrophobicContact CG1-CD1 3.93Å; V464-I468 HydrophobicContact CG1-CG1 4.41Å; V464-I468 VanDerWaalsContact O-CG1 3.26Å; V464-I468 WeakPolarHBondContact O-CG1 3.04Å; V464-I468 PolarHBondContact O-N 3.22Å; V464-L574 HydrophobicContact CG2-CD1 4.34Å
465	A	52.1	Low	57.7	Low	60 Å²	60	78.7 Å²	78.7	50%	0.496	46%	0.458	S	S	.	.	H	α-helix	trans	-63.5	-40.5	175.2	0	0	0	0	0	113.4	S463 I468 S469	S463-A465 PolarHBondContact O-N 2.73Å; S463-A465 VanDerWaalsContact O-N 3.13Å; A465-I468 PolarHBondContact O-N 3.04Å; A465-S469 WeakPolarHBondContact O-CB 3.01Å; A465-S469 PolarHBondContact O-N 3.08Å; A465-S469 PolarHBondContact O-OG 2.69Å
466	E	60.8	Low	55.7	Low	89 Å²	89	83.5 Å²	83.5	42%	0.416	48%	0.483	S	S	.	.	H	α-helix	trans	-69.7	-39	174.8	-81.3	158	132.5	0	0	112.1	M462 S463 I468 S469 Q470	M462-E466 HydrophobicContact CE-CB 3.59Å; M462-E466 HydrophobicContact CE-CG 3.8Å; M462-E466 VanDerWaalsContact CE-OE1 3.27Å; M462-E466 WeakPolarHBondContact CE-OE1 3.33Å; M462-E466 WeakPolarHBondContact CE-OE2 3.39Å; S463-E466 PolarHBondContact N-OE2 3.4Å; S463-E466 VanDerWaalsContact N-OE2 3.09Å; S463-E466 PolarHBondContact O-N 3.21Å; S463-E466 WeakPolarHBondContact OG-CG 3.42Å; S463-E466 PolarHBondContact OG-N 2.76Å; S463-E466 VanDerWaalsContact OG-N 3.08Å; S463-E466 PolarHBondContact OG-OE2 2.7Å; E466-I468 VanDerWaalsContact C-N 3.33Å; E466-I468 PolarHBondContact O-N 3.05Å; E466-S469 PolarHBondContact O-N 2.68Å; E466-S469 VanDerWaalsContact O-N 3.16Å; E466-Q470 WeakPolarHBondContact O-CG 3.25Å; E466-Q470 PolarHBondContact O-N 3.26Å
467	R	52.7	Low	53.7	Low	101 Å²	101	92.2 Å²	92.2	38%	0.381	52%	0.521	S	S	.	.	H	α-helix	trans	-57.8	-45.7	170	-92.5	-172.6	-71.9	-106.1	-10.3	111.6	M462 S463 V464 S469 Q470 V471	M462-R467 PolarHBondContact O-NH2 3.48Å; S463-R467 PolarHBondContact O-N 2.7Å; S463-R467 VanDerWaalsContact O-N 3.13Å; V464-R467 PolarHBondContact O-N 2.71Å; R467-S469 VanDerWaalsContact C-N 3.3Å; R467-S469 PolarHBondContact O-N 3.47Å; R467-Q470 PolarHBondContact O-N 3.24Å; R467-V471 VanDerWaalsContact O-CG2 3.28Å; R467-V471 WeakPolarHBondContact O-CG2 3.41Å; R467-V471 PolarHBondContact O-N 3.17Å
468	I	49.3	Very low	51.7	Low	83 Å²	83	100 Å²	100	43%	0.426	54%	0.535	S	S	.	.	H	α-helix	trans	-63.3	-39	176.6	-69	166.1	0	0	0	110.7	V464 A465 E466 V471 R472	V464-I468 HydrophobicContact CG1-CD1 3.93Å; V464-I468 HydrophobicContact CG1-CG1 4.41Å; V464-I468 VanDerWaalsContact O-CG1 3.26Å; V464-I468 WeakPolarHBondContact O-CG1 3.04Å; V464-I468 PolarHBondContact O-N 3.22Å; A465-I468 PolarHBondContact O-N 3.04Å; E466-I468 VanDerWaalsContact C-N 3.33Å; E466-I468 PolarHBondContact O-N 3.05Å; I468-V471 PolarHBondContact O-N 3.3Å; I468-R472 HydrophobicContact CG2-CG 4.47Å; I468-R472 WeakPolarHBondContact O-CB 3.46Å; I468-R472 VanDerWaalsContact O-CG 3.31Å; I468-R472 WeakPolarHBondContact O-CG 3.31Å; I468-R472 PolarHBondContact O-N 3.24Å
469	S	53	Low	50	Low	66 Å²	66	102.2 Å²	102.2	46%	0.462	55%	0.553	S	S	.	*	H	α-helix	trans	-68.4	-41.3	179.5	-60.3	0	0	0	0	112	A465 E466 R467 R472 S473	A465-S469 WeakPolarHBondContact O-CB 3.01Å; A465-S469 PolarHBondContact O-N 3.08Å; A465-S469 PolarHBondContact O-OG 2.69Å; E466-S469 PolarHBondContact O-N 2.68Å; E466-S469 VanDerWaalsContact O-N 3.16Å; R467-S469 VanDerWaalsContact C-N 3.3Å; R467-S469 PolarHBondContact O-N 3.47Å; S469-R472 WeakPolarHBondContact O-CB 2.86Å; S469-R472 PolarHBondContact O-N 3.31Å; S469-S473 PolarHBondContact O-N 2.62Å; S469-S473 PolarHBondContact O-OG 3.36Å
470	Q	53.5	Low	48.1	Very low	112 Å²	112	106 Å²	106	52%	0.523	58%	0.58	S	S	.	*	H	α-helix	trans	-63.3	-41.9	173.8	-75.6	-176.9	12.5	0	0	112	E466 R467 R472 S473 A474	E466-Q470 WeakPolarHBondContact O-CG 3.25Å; E466-Q470 PolarHBondContact O-N 3.26Å; R467-Q470 PolarHBondContact O-N 3.24Å; Q470-R472 VanDerWaalsContact C-N 3.32Å; Q470-R472 PolarHBondContact O-N 3.31Å; Q470-S473 WeakPolarHBondContact CA-OG 3.25Å; Q470-S473 PolarHBondContact O-N 3.46Å; Q470-S473 PolarHBondContact O-OG 2.94Å; Q470-A474 WeakPolarHBondContact O-CB 3.28Å; Q470-A474 PolarHBondContact O-N 3.25Å
471	V	53.1	Low	46.7	Very low	98 Å²	98	108.6 Å²	108.6	59%	0.594	59%	0.591	S	S	*	*	H	α-helix	trans	-63.1	-40.2	173.9	172.5	0	0	0	0	110.8	R467 I468 A474 S475	R467-V471 VanDerWaalsContact O-CG2 3.28Å; R467-V471 WeakPolarHBondContact O-CG2 3.41Å; R467-V471 PolarHBondContact O-N 3.17Å; I468-V471 PolarHBondContact O-N 3.3Å; V471-A474 PolarHBondContact O-N 3.43Å; V471-S475 WeakPolarHBondContact O-CB 3.4Å; V471-S475 PolarHBondContact O-N 2.97Å
472	R	48.3	Very low	45.6	Very low	186 Å²	186	112.1 Å²	112.1	70%	0.702	60%	0.6	S	S	*	*	H	α-helix	trans	-63.4	-41.4	175.6	-78.9	176.1	172.9	177.2	-1.3	112.4	I468 S469 Q470 S475	I468-R472 HydrophobicContact CG2-CG 4.47Å; I468-R472 WeakPolarHBondContact O-CB 3.46Å; I468-R472 VanDerWaalsContact O-CG 3.31Å; I468-R472 WeakPolarHBondContact O-CG 3.31Å; I468-R472 PolarHBondContact O-N 3.24Å; S469-R472 WeakPolarHBondContact O-CB 2.86Å; S469-R472 PolarHBondContact O-N 3.31Å; Q470-R472 VanDerWaalsContact C-N 3.32Å; Q470-R472 PolarHBondContact O-N 3.31Å; R472-S475 PolarHBondContact O-N 3.41Å
473	S	47.4	Very low	44.7	Very low	87 Å²	87	114.1 Å²	114.1	61%	0.608	62%	0.618	S	S	*	*	H	α-helix	trans	-69.1	-35	175.6	47.4	0	0	0	0	112.8	S469 Q470	S469-S473 PolarHBondContact O-N 2.62Å; S469-S473 PolarHBondContact O-OG 3.36Å; Q470-S473 WeakPolarHBondContact CA-OG 3.25Å; Q470-S473 PolarHBondContact O-N 3.46Å; Q470-S473 PolarHBondContact O-OG 2.94Å
474	A	45.6	Very low	44.3	Very low	85 Å²	85	120.7 Å²	120.7	70%	0.702	64%	0.643	S	S	*	*	H	α-helix	trans	-75.6	-25.2	177.1	0	0	0	0	0	113.1	Q470 V471 M476	Q470-A474 WeakPolarHBondContact O-CB 3.28Å; Q470-A474 PolarHBondContact O-N 3.25Å; V471-A474 PolarHBondContact O-N 3.43Å; A474-M476 VanDerWaalsContact C-N 3.35Å; A474-M476 PolarHBondContact O-N 2.75Å
475	S	44.1	Very low	43.9	Very low	78 Å²	78	125.3 Å²	125.3	55%	0.545	66%	0.66	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.7	24.6	-171.9	-169.3	0	0	0	0	115	V471 R472 K477	V471-S475 WeakPolarHBondContact O-CB 3.4Å; V471-S475 PolarHBondContact O-N 2.97Å; R472-S475 PolarHBondContact O-N 3.41Å; S475-K477 PolarHBondContact O-N 2.98Å
476	M	36.4	Very low	43.6	Very low	172 Å²	172	126.6 Å²	126.6	85%	0.847	66%	0.659	S	S	*	*			trans	-68	5.6	172.2	-70.7	-129.7	82.5	0	0	114.4	A474 R478	A474-M476 VanDerWaalsContact C-N 3.35Å; A474-M476 PolarHBondContact O-N 2.75Å; M476-R478 PolarHBondContact O-N 3.26Å
477	K	36.6	Very low	42.9	Very low	187 Å²	187	126.3 Å²	126.3	81%	0.813	66%	0.66	S	S	*	*	S	Bend	trans	-86.4	101.7	168.3	-75.4	-176.6	177.8	178.2	0	110.4	S475	S475-K477 PolarHBondContact O-N 2.98Å
478	R	30.4	Very low	42.9	Very low	236 Å²	236	129.6 Å²	129.6	89%	0.891	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-54.5	122.1	176.1	-154	177.5	-164.5	-167	3.7	110.4	M476	M476-R478 PolarHBondContact O-N 3.26Å
479	P	33.8	Very low	43.5	Very low	120 Å²	120	126.8 Å²	126.8	78%	0.779	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-71.5	131.5	174.9	-13.5	27.8	0	0	0	110.8
480	T	33.6	Very low	43.8	Very low	125 Å²	125	131.6 Å²	131.6	77%	0.767	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-67.5	145.2	172.8	-29.4	0	0	0	0	110	E482	T480-E482 PolarHBondContact O-N 3.27Å
481	P	37	Very low	44.2	Very low	123 Å²	123	130.3 Å²	130.3	80%	0.799	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-66.7	120	-176.5	-13.9	28.6	0	0	0	111
482	E	35.7	Very low	44.3	Very low	186 Å²	186	130.5 Å²	130.5	87%	0.869	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-69.9	126.1	171.8	-67.8	174	165.6	0	0	109.3	T480	T480-E482 PolarHBondContact O-N 3.27Å
483	S	37.3	Very low	44.3	Very low	85 Å²	85	127.5 Å²	127.5	59%	0.594	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-67.4	156.6	-179.8	44	0	0	0	0	112.7	E485	S483-E485 PolarHBondContact O-N 2.66Å
484	E	41.3	Very low	45.1	Very low	187 Å²	187	129 Å²	129	87%	0.874	68%	0.678	S	S	*	*	S	Bend	trans	-74.3	12.1	-167.6	-59.5	-176.3	145.2	0	0	115.6	D486	E484-D486 VanDerWaalsContact C-N 3.27Å; E484-D486 PolarHBondContact O-N 3.28Å
485	E	39.1	Very low	46	Very low	165 Å²	165	131.3 Å²	131.3	77%	0.771	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-78.1	-1.3	-168.3	-62.9	-177.4	176.2	0	0	114.7	S483 D487	S483-E485 PolarHBondContact O-N 2.66Å; E485-D487 PolarHBondContact O-N 3.48Å
486	D	45.9	Very low	46.4	Very low	88 Å²	88	136.6 Å²	136.6	47%	0.471	68%	0.677	S	S	.	*	G	3₁₀ helix	trans	-84.2	-6.6	-172.6	-99.7	-46.4	0	0	0	115.8	E484 E488 R494	E484-D486 VanDerWaalsContact C-N 3.27Å; E484-D486 PolarHBondContact O-N 3.28Å; D486-E488 PolarHBondContact O-N 3.45Å; D486-R494 IonicContact OD1-CZ 3.71Å; D486-R494 IonicContact OD1-NH1 3.06Å; D486-R494 PolarHBondContact OD1-NH1 3.48Å; D486-R494 IonicContact OD1-NH2 3.33Å; D486-R494 PolarHBondContact OD1-NH2 3.49Å
487	D	46.7	Very low	47.2	Very low	83 Å²	83	131.2 Å²	131.2	44%	0.444	66%	0.656	S	S	.	*	G	3₁₀ helix	trans	-76	-5.3	-179.5	-80.4	-35.8	0	0	0	113.2	E485 R495 K502	E485-D487 PolarHBondContact O-N 3.48Å; D487-R495 PolarHBondContact O-NE 3.33Å; D487-R495 PolarHBondContact O-NH2 3.13Å; D487-K502 IonicContact OD1-NZ 3.5Å; D487-K502 PolarHBondContact OD1-NZ 3.02Å; D487-K502 IonicContact OD2-NZ 3.4Å; D487-K502 PolarHBondContact OD2-NZ 2.96Å
488	E	52	Low	48.3	Very low	169 Å²	169	124.3 Å²	124.3	79%	0.79	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-99.8	11.6	-173.9	-136.9	164.8	-149.7	0	0	115.1	D486 D490	D486-E488 PolarHBondContact O-N 3.45Å; E488-D490 PolarHBondContact O-N 3.35Å
489	S	63	Low	49.8	Very low	25 Å²	25	121.8 Å²	121.8	18%	0.175	62%	0.62	C	S	.	*			trans	-65	124	173.8	155.1	0	0	0	0	112.9	D491	S489-D491 PolarHBondContact O-N 3.24Å; S489-D491 PolarHBondContact OG-N 2.95Å
490	D	59.1	Low	50.6	Low	166 Å²	166	121.1 Å²	121.1	89%	0.888	61%	0.609	S	S	*	*	S	Bend	trans	-67.3	-15.1	173.9	-76.3	-34.1	0	0	0	114.6	E488 P492	E488-D490 PolarHBondContact O-N 3.35Å; D490-P492 VanDerWaalsContact O-CD 3.23Å; D490-P492 WeakPolarHBondContact O-CD 3.39Å
491	D	61.1	Low	51.3	Low	85 Å²	85	121.8 Å²	121.8	46%	0.455	60%	0.601	S	S	.	*			trans	-76.7	113.6	176.5	-175	-21.4	0	0	0	111.4	S489 N493 R494 R495	S489-D491 PolarHBondContact O-N 3.24Å; S489-D491 PolarHBondContact OG-N 2.95Å; D491-N493 PolarHBondContact O-N 2.82Å; D491-N493 WeakPolarHBondContact OD1-CA 3.48Å; D491-N493 VanDerWaalsContact OD1-CB 3.26Å; D491-N493 WeakPolarHBondContact OD1-CB 2.99Å; D491-N493 PolarHBondContact OD1-N 3Å; D491-R494 HydrophobicContact CB-CB 4.01Å; D491-R494 PolarHBondContact O-N 3.47Å; D491-R494 PolarHBondContact OD1-N 2.89Å; D491-R495 PolarHBondContact O-N 2.94Å
492	P	56.7	Low	52.1	Low	102 Å²	102	121.3 Å²	121.3	66%	0.662	59%	0.587	S	S	*	*	H	α-helix	trans	-64.9	-27.1	-178.8	25.4	-32.7	0	0	0	113.1	D490 R496	D490-P492 VanDerWaalsContact O-CD 3.23Å; D490-P492 WeakPolarHBondContact O-CD 3.39Å; P492-R496 WeakPolarHBondContact O-CB 2.87Å; P492-R496 PolarHBondContact O-N 3.49Å
493	N	48.4	Very low	52.6	Low	124 Å²	124	120.9 Å²	120.9	66%	0.663	58%	0.577	S	S	*	*	H	α-helix	trans	-74.1	-39.7	178.8	-130.1	6.6	0	0	0	110.6	D491 R496 S497	D491-N493 PolarHBondContact O-N 2.82Å; D491-N493 WeakPolarHBondContact OD1-CA 3.48Å; D491-N493 VanDerWaalsContact OD1-CB 3.26Å; D491-N493 WeakPolarHBondContact OD1-CB 2.99Å; D491-N493 PolarHBondContact OD1-N 3Å; N493-R496 PolarHBondContact O-N 2.95Å; N493-S497 PolarHBondContact O-N 3.41Å
494	R	63.4	Low	52.8	Low	119 Å²	119	121.5 Å²	121.5	45%	0.449	57%	0.574	S	S	.	*	H	α-helix	trans	-65.3	-45.9	173.3	-166.2	175.6	-177.4	-110.9	-2.1	110.7	D486 D491 R496 S497 V498	D486-R494 IonicContact OD1-CZ 3.71Å; D486-R494 IonicContact OD1-NH1 3.06Å; D486-R494 PolarHBondContact OD1-NH1 3.48Å; D486-R494 IonicContact OD1-NH2 3.33Å; D486-R494 PolarHBondContact OD1-NH2 3.49Å; D491-R494 HydrophobicContact CB-CB 4.01Å; D491-R494 PolarHBondContact O-N 3.47Å; D491-R494 PolarHBondContact OD1-N 2.89Å; R494-R496 VanDerWaalsContact C-N 3.31Å; R494-R496 PolarHBondContact O-N 3.19Å; R494-S497 WeakPolarHBondContact O-CB 3.39Å; R494-S497 PolarHBondContact O-N 3.28Å; R494-S497 VanDerWaalsContact O-N 3.11Å; R494-V498 WeakPolarHBondContact O-CG2 3.42Å; R494-V498 PolarHBondContact O-N 3.03Å
495	R	64.5	Low	53	Low	132 Å²	132	122.6 Å²	122.6	50%	0.498	57%	0.57	S	S	.	*	H	α-helix	trans	-58.5	-40.8	176	-127.4	174.1	-175.7	-172.9	3.9	112.5	D487 D491 V498 R499	D487-R495 PolarHBondContact O-NE 3.33Å; D487-R495 PolarHBondContact O-NH2 3.13Å; D491-R495 PolarHBondContact O-N 2.94Å; R495-V498 PolarHBondContact O-N 2.95Å; R495-R499 PolarHBondContact O-N 3.45Å
496	R	53.5	Low	53.4	Low	189 Å²	189	123.2 Å²	123.2	71%	0.713	57%	0.57	S	S	*	*	H	α-helix	trans	-65.7	-42.3	175.5	-162.4	176.2	-156.6	-167.1	5.5	111.8	P492 N493 R494 R499 L500	P492-R496 WeakPolarHBondContact O-CB 2.87Å; P492-R496 PolarHBondContact O-N 3.49Å; N493-R496 PolarHBondContact O-N 2.95Å; R494-R496 VanDerWaalsContact C-N 3.31Å; R494-R496 PolarHBondContact O-N 3.19Å; R496-R499 PolarHBondContact O-N 2.97Å; R496-L500 WeakPolarHBondContact O-CB 3.33Å; R496-L500 PolarHBondContact O-N 3.21Å
497	S	52	Low	53.2	Low	59 Å²	59	123.6 Å²	123.6	41%	0.413	57%	0.569	S	S	.	*	H	α-helix	trans	-64.1	-40.3	177.3	-170.1	0	0	0	0	112.4	N493 R494 L500 K501	N493-S497 PolarHBondContact O-N 3.41Å; R494-S497 WeakPolarHBondContact O-CB 3.39Å; R494-S497 PolarHBondContact O-N 3.28Å; R494-S497 VanDerWaalsContact O-N 3.11Å; S497-L500 PolarHBondContact O-N 3.33Å; S497-K501 PolarHBondContact O-N 2.89Å
498	V	59.5	Low	52.9	Low	42 Å²	42	121.7 Å²	121.7	26%	0.255	56%	0.56	S	S	.	*	H	α-helix	trans	-66	-46.5	176.7	174.5	0	0	0	0	110.6	R494 R495 L500 K501 K502	R494-V498 WeakPolarHBondContact O-CG2 3.42Å; R494-V498 PolarHBondContact O-N 3.03Å; R495-V498 PolarHBondContact O-N 2.95Å; V498-L500 VanDerWaalsContact C-N 3.3Å; V498-L500 PolarHBondContact O-N 3.42Å; V498-K501 PolarHBondContact O-N 2.92Å; V498-K502 HydrophobicContact CG1-CD 4.48Å; V498-K502 PolarHBondContact O-N 2.9Å
499	R	63.3	Low	52.6	Low	183 Å²	183	120.1 Å²	120.1	69%	0.691	55%	0.55	S	S	*	*	H	α-helix	trans	-59.5	-39.7	173.9	-89.6	-176	-179.1	163.8	1.4	112.6	R495 R496 K502 R503	R495-R499 PolarHBondContact O-N 3.45Å; R496-R499 PolarHBondContact O-N 2.97Å; R499-K502 PolarHBondContact O-N 3.08Å; R499-R503 WeakPolarHBondContact O-CG 3.4Å; R499-R503 PolarHBondContact O-N 2.91Å
500	L	48.8	Very low	51.4	Low	106 Å²	106	124.1 Å²	124.1	56%	0.555	57%	0.569	S	S	*	*	H	α-helix	trans	-66	-44.4	178.3	-163.8	75.2	0	0	0	111	R496 S497 V498 R503 L504	R496-L500 WeakPolarHBondContact O-CB 3.33Å; R496-L500 PolarHBondContact O-N 3.21Å; S497-L500 PolarHBondContact O-N 3.33Å; V498-L500 VanDerWaalsContact C-N 3.3Å; V498-L500 PolarHBondContact O-N 3.42Å; L500-R503 PolarHBondContact O-N 2.93Å; L500-L504 HydrophobicContact CG-CD1 4.26Å; L500-L504 WeakPolarHBondContact O-CB 3.4Å; L500-L504 PolarHBondContact O-N 2.94Å
501	K	49	Very low	50.5	Low	139 Å²	139	119.4 Å²	119.4	60%	0.604	54%	0.544	S	S	*	.	H	α-helix	trans	-61.6	-44.9	173.7	-79.7	-178.6	176.9	178.2	0	112.1	S497 V498 R503 L504 R505	S497-K501 PolarHBondContact O-N 2.89Å; V498-K501 PolarHBondContact O-N 2.92Å; K501-R503 VanDerWaalsContact C-N 3.34Å; K501-R503 PolarHBondContact O-N 3.37Å; K501-L504 PolarHBondContact O-N 2.94Å; K501-R505 PolarHBondContact O-N 2.97Å; K501-R505 VanDerWaalsContact O-N 3.07Å
502	K	54.1	Low	50	Low	114 Å²	114	128.2 Å²	128.2	50%	0.496	57%	0.571	S	S	.	*	H	α-helix	trans	-60.6	-39.9	175.1	-85.9	178.3	177.5	168.2	0	111.3	D487 V498 R499 K506	D487-K502 IonicContact OD1-NZ 3.5Å; D487-K502 PolarHBondContact OD1-NZ 3.02Å; D487-K502 IonicContact OD2-NZ 3.4Å; D487-K502 PolarHBondContact OD2-NZ 2.96Å; V498-K502 HydrophobicContact CG1-CD 4.48Å; V498-K502 PolarHBondContact O-N 2.9Å; R499-K502 PolarHBondContact O-N 3.08Å; K502-K506 PolarHBondContact O-N 3.29Å
503	R	44.9	Very low	49.6	Very low	176 Å²	176	128.9 Å²	128.9	66%	0.664	57%	0.569	S	S	*	*	H	α-helix	trans	-67.9	-45.5	175.5	-78.1	178.3	97.9	155.5	4.5	112.5	R499 L500 K501 R505 K506 H507	R499-R503 WeakPolarHBondContact O-CG 3.4Å; R499-R503 PolarHBondContact O-N 2.91Å; L500-R503 PolarHBondContact O-N 2.93Å; K501-R503 VanDerWaalsContact C-N 3.34Å; K501-R503 PolarHBondContact O-N 3.37Å; R503-R505 VanDerWaalsContact C-N 3.3Å; R503-R505 PolarHBondContact O-N 2.82Å; R503-K506 PolarHBondContact O-N 2.89Å; R503-K506 VanDerWaalsContact O-N 3.09Å; R503-H507 PolarHBondContact O-CD2 2.9Å; R503-H507 VanDerWaalsContact O-CD2 3.24Å; R503-H507 PolarHBondContact O-N 3.47Å
504	L	41.9	Very low	49.1	Very low	99 Å²	99	125 Å²	125	52%	0.518	56%	0.559	S	S	.	*	H	α-helix	trans	-60	-40.1	178.8	-82.3	160	0	0	0	112	L500 K501 K506 H507 V508	L500-L504 HydrophobicContact CG-CD1 4.26Å; L500-L504 WeakPolarHBondContact O-CB 3.4Å; L500-L504 PolarHBondContact O-N 2.94Å; K501-L504 PolarHBondContact O-N 2.94Å; L504-K506 VanDerWaalsContact C-N 3.29Å; L504-K506 PolarHBondContact O-N 3.48Å; L504-H507 PolarHBondContact O-N 2.98Å; L504-V508 WeakPolarHBondContact O-CG2 3.45Å; L504-V508 PolarHBondContact O-N 3.43Å
505	R	46.3	Very low	47.6	Very low	210 Å²	210	122.5 Å²	122.5	79%	0.792	56%	0.556	S	S	*	*	H	α-helix	trans	-64.9	-29	175.8	-72.3	-172.7	-173.8	-146.8	4.5	113.6	K501 R503	K501-R505 PolarHBondContact O-N 2.97Å; K501-R505 VanDerWaalsContact O-N 3.07Å; R503-R505 VanDerWaalsContact C-N 3.3Å; R503-R505 PolarHBondContact O-N 2.82Å
506	K	46.2	Very low	46.1	Very low	178 Å²	178	123.4 Å²	123.4	77%	0.774	56%	0.561	S	S	*	*	H	α-helix	trans	-75.2	-25.8	177.6	-78.2	-171.8	176.6	-174.3	0	113.4	K502 R503 L504	K502-K506 PolarHBondContact O-N 3.29Å; R503-K506 PolarHBondContact O-N 2.89Å; R503-K506 VanDerWaalsContact O-N 3.09Å; L504-K506 VanDerWaalsContact C-N 3.29Å; L504-K506 PolarHBondContact O-N 3.48Å
507	H	43.2	Very low	45.5	Very low	96 Å²	96	117.8 Å²	117.8	44%	0.444	55%	0.547	S	S	.	.	S	Bend	trans	-96.1	1.6	-176.5	-72.2	-70.5	0	0	0	114.2	R503 L504 E519	R503-H507 PolarHBondContact O-CD2 2.9Å; R503-H507 VanDerWaalsContact O-CD2 3.24Å; R503-H507 PolarHBondContact O-N 3.47Å; L504-H507 PolarHBondContact O-N 2.98Å; H507-E519 PolarHBondContact ND1-O 2.87Å
508	V	40.3	Very low	44.6	Very low	42 Å²	42	122 Å²	122	26%	0.255	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.4	98.8	-177.7	-178.9	0	0	0	0	108	L504 Y516 Y518	L504-V508 WeakPolarHBondContact O-CG2 3.45Å; L504-V508 PolarHBondContact O-N 3.43Å; V508-Y516 HydrophobicContact CG1-CD1 3.43Å; V508-Y516 VanDerWaalsContact CG1-CD1 3.43Å; V508-Y516 HydrophobicContact CG1-CE1 4.01Å; V508-Y516 HydrophobicContact CG1-CG 4.46Å; V508-Y518 HydrophobicContact CG2-CD1 4.17Å; V508-Y518 HydrophobicContact CG2-CE1 3.66Å
509	K	46.2	Very low	43.6	Very low	136 Å²	136	126 Å²	126	59%	0.591	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.3	136.1	167.6	-85.8	177.8	-178.4	163.3	0	109.4	V517	K509-V517 PolarHBondContact O-N 2.94Å
510	L	36.7	Very low	42.1	Very low	109 Å²	109	126.9 Å²	126.9	57%	0.571	58%	0.576	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.8	115.8	177.4	-142.3	135.5	0	0	0	107.4	Y516	L510-Y516 HydrophobicContact CD1-CD1 4.1Å; L510-Y516 HydrophobicContact CD1-CE1 3.31Å; L510-Y516 HydrophobicContact CG-CD1 4.32Å; L510-Y516 HydrophobicContact CG-CE1 3.98Å
511	N	41	Very low	41.4	Very low	68 Å²	68	127 Å²	127	36%	0.364	59%	0.585	S	S	.	*			trans	-73.4	160.4	173.4	-71.3	-26.7	0	0	0	110.2	D513 G514 T515 V517	N511-D513 WeakPolarHBondContact CB-OD1 3.46Å; N511-D513 PolarHBondContact O-N 3.08Å; N511-G514 PolarHBondContact O-N 3.05Å; N511-T515 PolarHBondContact N-O 3.36Å; N511-T515 PolarHBondContact ND2-OG1 3.01Å; N511-V517 WeakPolarHBondContact ND2-CG2 3.41Å
512	R	49.6	Very low	40.6	Very low	269 Å²	269	125.2 Å²	125.2	100%	1.015	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-22.2	179.3	-89.3	-176.5	170.6	178.3	-2.7	113.8	G514	R512-G514 VanDerWaalsContact C-N 3.27Å
513	D	49.2	Very low	39.4	Very low	117 Å²	117	128.1 Å²	128.1	63%	0.626	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	4.2	176.1	60.9	-4.1	0	0	0	113.1	N511 T515	N511-D513 WeakPolarHBondContact CB-OD1 3.46Å; N511-D513 PolarHBondContact O-N 3.08Å; D513-T515 VanDerWaalsContact C-N 3.29Å; D513-T515 PolarHBondContact O-N 3.02Å; D513-T515 PolarHBondContact OD1-N 3.27Å; D513-T515 PolarHBondContact OD1-OG1 3.44Å; D513-T515 PolarHBondContact OD2-OG1 3.18Å
514	G	36.8	Very low	38.8	Very low	43 Å²	43	123 Å²	123	44%	0.443	59%	0.592	S	S	.	*	S	Bend	trans	80.8	5.8	178.3	0	0	0	0	0	114.3	N511 R512	N511-G514 PolarHBondContact O-N 3.05Å; R512-G514 VanDerWaalsContact C-N 3.27Å
515	T	31.7	Very low	38.3	Very low	66 Å²	66	125.8 Å²	125.8	41%	0.405	61%	0.605	S	S	.	*			trans	-82.5	142.2	174.3	63.6	0	0	0	0	111.2	N511 D513	N511-T515 PolarHBondContact N-O 3.36Å; N511-T515 PolarHBondContact ND2-OG1 3.01Å; D513-T515 VanDerWaalsContact C-N 3.29Å; D513-T515 PolarHBondContact O-N 3.02Å; D513-T515 PolarHBondContact OD1-N 3.27Å; D513-T515 PolarHBondContact OD1-OG1 3.44Å; D513-T515 PolarHBondContact OD2-OG1 3.18Å
516	Y	33.3	Very low	37.8	Very low	150 Å²	150	119.5 Å²	119.5	59%	0.588	59%	0.593	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.1	123.9	176.3	-67	-88.2	0	0	0	109	V508 L510	V508-Y516 HydrophobicContact CG1-CD1 3.43Å; V508-Y516 VanDerWaalsContact CG1-CD1 3.43Å; V508-Y516 HydrophobicContact CG1-CE1 4.01Å; V508-Y516 HydrophobicContact CG1-CG 4.46Å; L510-Y516 HydrophobicContact CD1-CD1 4.1Å; L510-Y516 HydrophobicContact CD1-CE1 3.31Å; L510-Y516 HydrophobicContact CG-CD1 4.32Å; L510-Y516 HydrophobicContact CG-CE1 3.98Å
517	V	40.9	Very low	37.2	Very low	71 Å²	71	115.3 Å²	115.3	43%	0.43	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.1	122.1	170.7	179.8	0	0	0	0	108.9	K509 N511 E519	K509-V517 PolarHBondContact O-N 2.94Å; N511-V517 WeakPolarHBondContact ND2-CG2 3.41Å; V517-E519 PolarHBondContact O-N 3.46Å
518	Y	33.4	Very low	36.8	Very low	149 Å²	149	118.6 Å²	118.6	58%	0.584	59%	0.593	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83.3	104	169.2	-78	-90.9	0	0	0	108.5	V508 Y520	V508-Y518 HydrophobicContact CG2-CD1 4.17Å; V508-Y518 HydrophobicContact CG2-CE1 3.66Å; Y518-Y520 PolarHBondContact O-N 3.17Å
519	E	39.5	Very low	36.6	Very low	125 Å²	125	124.1 Å²	124.1	58%	0.584	62%	0.616	S	S	*	*			trans	-74.9	86.2	164	-83.5	-178.8	152.5	0	0	108.3	H507 V517 S521	H507-E519 PolarHBondContact ND1-O 2.87Å; V517-E519 PolarHBondContact O-N 3.46Å; E519-S521 PolarHBondContact O-N 3.11Å
520	Y	32.1	Very low	36.1	Very low	201 Å²	201	125.8 Å²	125.8	79%	0.788	62%	0.619	S	S	*	*			trans	-73.4	98.9	155.7	-106.4	-93.6	0	0	0	106.5	Y518 P522	Y518-Y520 PolarHBondContact O-N 3.17Å; Y520-P522 WeakPolarHBondContact O-CD 3.38Å
521	S	34.1	Very low	35.9	Very low	108 Å²	108	128.2 Å²	128.2	76%	0.755	63%	0.633	S	S	*	*			trans	-79.6	104.3	161.4	-175.7	0	0	0	0	106.6	E519 K523	E519-S521 PolarHBondContact O-N 3.11Å; S521-K523 PolarHBondContact O-N 2.87Å
522	P	32.3	Very low	35.5	Very low	103 Å²	103	128.9 Å²	128.9	67%	0.669	65%	0.647	S	S	*	*			trans	-66.6	123.1	176.3	-6.3	24.7	0	0	0	105.7	Y520 S524	Y520-P522 WeakPolarHBondContact O-CD 3.38Å; P522-S524 PolarHBondContact O-N 2.9Å
523	K	28.3	Very low	34.4	Very low	174 Å²	174	119.5 Å²	119.5	76%	0.757	64%	0.635	S	S	*	*			trans	-52.5	112.1	164.1	-68.6	-176.9	172.8	-167.9	0	106.3	S521 M525	S521-K523 PolarHBondContact O-N 2.87Å; K523-M525 PolarHBondContact O-N 2.86Å
524	S	31	Very low	33.4	Very low	68 Å²	68	120.2 Å²	120.2	48%	0.476	65%	0.646	S	S	.	*			trans	-54.2	142.2	-178.7	49.8	0	0	0	0	108.4	P522 S526 E527	P522-S524 PolarHBondContact O-N 2.9Å; S524-S526 PolarHBondContact O-N 2.91Å; S524-S526 PolarHBondContact OG-OG 3.18Å; S524-E527 PolarHBondContact O-N 2.91Å
525	M	31.8	Very low	32.9	Very low	159 Å²	159	123.2 Å²	123.2	78%	0.783	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-50.8	-22.9	-178.3	-72.4	-124.6	-50.8	0	0	113.5	K523 E527 M528	K523-M525 PolarHBondContact O-N 2.86Å; M525-E527 PolarHBondContact O-N 3.46Å; M525-M528 PolarHBondContact O-N 2.96Å; M525-M528 VanDerWaalsContact O-N 3.11Å
526	S	36.7	Very low	32.6	Very low	78 Å²	78	125.4 Å²	125.4	55%	0.545	68%	0.684	S	S	.	*	G	3₁₀ helix	trans	-61.4	-15	172.9	56	0	0	0	0	115.5	S524	S524-S526 PolarHBondContact O-N 2.91Å; S524-S526 PolarHBondContact OG-OG 3.18Å
527	E	34.1	Very low	32.1	Very low	89 Å²	89	124.6 Å²	124.6	42%	0.416	70%	0.699	S	S	.	*	G	3₁₀ helix	trans	-89.1	-24.9	172.3	-57.6	-151.5	128.4	0	0	113.4	S524 M525 R530	S524-E527 PolarHBondContact O-N 2.91Å; M525-E527 PolarHBondContact O-N 3.46Å; E527-R530 IonicContact OE1-NH2 2.69Å; E527-R530 PolarHBondContact OE1-NH2 3.29Å
528	M	34.2	Very low	31.2	Very low	165 Å²	165	125.7 Å²	125.7	81%	0.813	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-78.1	-24.2	-176.5	-171	160.3	-81.3	0	0	112.6	M525 R530	M525-M528 PolarHBondContact O-N 2.96Å; M525-M528 VanDerWaalsContact O-N 3.11Å; M528-R530 VanDerWaalsContact C-N 3.3Å; M528-R530 PolarHBondContact O-N 3.45Å
529	E	35.1	Very low	30.9	Very low	158 Å²	158	125.4 Å²	125.4	74%	0.738	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-81.7	-3.7	176.7	-70.6	-176.2	157.9	0	0	114
530	R	37.4	Very low	30.2	Very low	172 Å²	172	128.5 Å²	128.5	65%	0.649	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-81.2	-9.2	178.3	-84.9	-172.5	-77	172.5	2.2	115.1	E527 M528	E527-R530 IonicContact OE1-NH2 2.69Å; E527-R530 PolarHBondContact OE1-NH2 3.29Å; M528-R530 VanDerWaalsContact C-N 3.3Å; M528-R530 PolarHBondContact O-N 3.45Å
531	D	32.5	Very low	29.9	Very low	160 Å²	160	122.3 Å²	122.3	86%	0.856	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-92.6	5.1	178.6	-73.8	-22.6	0	0	0	113.9
532	A	31.7	Very low	29.5	Very low	81 Å²	81	122.6 Å²	122.6	67%	0.669	74%	0.743	S	S	*	*	S	Bend	trans	-101	110.8	166.8	0	0	0	0	0	109.7
533	G	26.9	Very low	29	Very low	73 Å²	73	124 Å²	124	75%	0.753	75%	0.745	S	S	*	*			trans	-62.5	166	-171.9	0	0	0	0	0	116.3
534	P	27.6	Very low	28.8	Very low	132 Å²	132	125.6 Å²	125.6	86%	0.857	75%	0.746	S	S	*	*			trans	-94.3	141.4	-153.2	35.7	-32.6	0	0	0	113.9
535	A	27.1	Very low	28.8	Very low	105 Å²	105	129.7 Å²	129.7	87%	0.868	76%	0.762	S	S	*	*			trans	-131.7	112.6	147.9	0	0	0	0	0	107.9
536	S	24.2	Very low	28.4	Very low	113 Å²	113	132.5 Å²	132.5	79%	0.79	76%	0.764	S	S	*	*			trans	-69.1	132.5	-173.2	54.5	0	0	0	0	113.3
537	C	23.1	Very low	27.8	Very low	132 Å²	132	134.5 Å²	134.5	89%	0.892	77%	0.769	S	S	*	*			trans	-143.7	111.4	144	-90.9	0	0	0	0	108.1
538	A	21.6	Very low	27.6	Very low	94 Å²	94	136.1 Å²	136.1	78%	0.777	79%	0.79	S	S	*	*			trans	-77.4	134.2	175.2	0	0	0	0	0	110.2
539	T	28.2	Very low	27.1	Very low	143 Å²	143	133.2 Å²	133.2	88%	0.877	79%	0.792	S	S	*	*			trans	-152.2	131.3	148.8	-30.1	0	0	0	0	110.8
540	H	23.5	Very low	26.7	Very low	191 Å²	191	134.7 Å²	134.7	88%	0.884	80%	0.799	S	S	*	*			trans	-68.8	153.3	-178.8	-77.7	-102.1	0	0	0	113.7
541	G	26.1	Very low	26	Very low	71 Å²	71	132.1 Å²	132.1	73%	0.732	81%	0.807	S	S	*	*			trans	168	80.3	162.6	0	0	0	0	0	111.1
542	S	25.1	Very low	25.6	Very low	114 Å²	114	130.8 Å²	130.8	80%	0.797	81%	0.805	S	S	*	*				63.1	94.7	97.9	-173.3	0	0	0	0	113.4
543	N	22.4	Very low	25.3	Very low	132 Å²	132	132.5 Å²	132.5	71%	0.706	81%	0.813	S	S	*	*				85.8	128.1	86.9	-144.4	5.3	0	0	0	113.5
544	R	25.4	Very low	25.2	Very low	208 Å²	208	138.5 Å²	138.5	79%	0.785	82%	0.821	S	S	*	*			trans	106.4	145.7	148.2	-58.7	-177.8	166.5	-175.5	-6.4	120.3
545	N	29.1	Very low	24.9	Very low	154 Å²	154	137 Å²	137	82%	0.824	82%	0.82	S	S	*	*			trans	87.2	94.2	171.9	-53.3	-11.6	0	0	0	113.2
546	R	23.8	Very low	24.7	Very low	218 Å²	218	136.6 Å²	136.6	82%	0.823	82%	0.817	S	S	*	*			cis	63.1	113.3	36.2	-135.8	-161.1	159.9	149.7	-0.7	114.7
547	D	24.5	Very low	24.9	Very low	119 Å²	119	136.8 Å²	136.8	64%	0.636	82%	0.818	S	S	*	*			trans	69.3	111.1	155.5	-56	-25.1	0	0	0	119.6
548	S	30	Very low	24.9	Very low	124 Å²	124	139.9 Å²	139.9	87%	0.867	82%	0.819	S	S	*	*				-165.2	100.1	126.7	-78.7	0	0	0	0	109.8
549	A	23.3	Very low	25.3	Very low	104 Å²	104	141 Å²	141	86%	0.86	82%	0.818	S	S	*	*			trans	-80.3	124.3	163.5	0	0	0	0	0	108.4
550	Q	26.2	Very low	25.1	Very low	188 Å²	188	139.9 Å²	139.9	88%	0.879	82%	0.817	S	S	*	*			trans	-133.5	100.6	162	-100.8	172.5	-14.1	0	0	108.4
551	S	23.2	Very low	25.3	Very low	118 Å²	118	142.2 Å²	142.2	83%	0.825	82%	0.818	S	S	*	*			trans	-80.9	120.2	165.6	51.1	0	0	0	0	108.8
552	T	25.2	Very low	25.4	Very low	132 Å²	132	142.1 Å²	142.1	81%	0.81	82%	0.817	S	S	*	*			trans	-123.8	105.8	160.7	52.1	0	0	0	0	107.8
553	S	24	Very low	25.5	Very low	118 Å²	118	144.5 Å²	144.5	83%	0.825	82%	0.821	S	S	*	*			trans	-74.2	117.6	168.8	50.4	0	0	0	0	109.4
554	E	25.3	Very low	25.9	Very low	198 Å²	198	143 Å²	143	93%	0.925	82%	0.821	S	S	*	*			trans	-124.2	117.2	157.5	-89.1	179.5	153.9	0	0	108.7
555	A	22.1	Very low	26.2	Very low	102 Å²	102	138.8 Å²	138.8	84%	0.843	81%	0.813	S	S	*	*			trans	-84.5	168.2	175.9	0	0	0	0	0	110.6
556	A	22.9	Very low	26.5	Very low	96 Å²	96	136 Å²	136	79%	0.793	80%	0.804	S	S	*	*			trans	95.3	92.9	166.2	0	0	0	0	0	116.5
557	S	27.4	Very low	27	Very low	117 Å²	117	129.4 Å²	129.4	82%	0.818	79%	0.791	S	S	*	*				175.1	112.5	109.2	36.2	0	0	0	0	109.5	P559	S557-P559 WeakPolarHBondContact O-CD 3.47Å
558	E	23.5	Very low	27.3	Very low	197 Å²	197	130 Å²	130	92%	0.921	79%	0.791	S	S	*	*			trans	-74.7	126.7	174.7	-69.5	-168.4	141.9	0	0	110.4
559	P	30.4	Very low	27.6	Very low	116 Å²	116	128.4 Å²	128.4	75%	0.753	78%	0.777	S	S	*	*			trans	-81.4	124	165.6	-1	19.3	0	0	0	109	S557 R561	S557-P559 WeakPolarHBondContact O-CD 3.47Å; P559-R561 PolarHBondContact O-N 3.02Å; P559-R561 VanDerWaalsContact O-N 3.12Å
560	S	24.6	Very low	28.2	Very low	121 Å²	121	125.9 Å²	125.9	85%	0.846	76%	0.756	S	S	*	*			trans	-43.2	111.1	173	52.4	0	0	0	0	112.8	G562	S560-G562 PolarHBondContact O-N 3.39Å
561	R	27.6	Very low	28.5	Very low	239 Å²	239	122.7 Å²	122.7	90%	0.902	74%	0.741	S	S	*	*			trans	-67.3	109.6	170.2	-84.9	177.1	165.7	163.5	-4.1	109.6	P559 N563	P559-R561 PolarHBondContact O-N 3.02Å; P559-R561 VanDerWaalsContact O-N 3.12Å; R561-N563 PolarHBondContact O-N 2.93Å
562	G	27.1	Very low	29.2	Very low	69 Å²	69	122.6 Å²	122.6	71%	0.711	73%	0.731	S	S	*	*			trans	-66.2	119.6	163.6	0	0	0	0	0	109.6	S560 S564	S560-G562 PolarHBondContact O-N 3.39Å; G562-S564 VanDerWaalsContact C-N 3.33Å; G562-S564 PolarHBondContact O-N 3.49Å
563	N	28.1	Very low	29.9	Very low	165 Å²	165	119.1 Å²	119.1	88%	0.882	72%	0.716	S	S	*	*			trans	-65	88.7	173.3	-73.4	-13.2	0	0	0	109.5	R561 D565	R561-N563 PolarHBondContact O-N 2.93Å; N563-D565 PolarHBondContact O-N 2.83Å
564	S	31	Very low	30.6	Very low	101 Å²	101	118 Å²	118	71%	0.706	70%	0.7	S	S	*	*			trans	-74.4	116.2	161.8	58	0	0	0	0	108	G562	G562-S564 VanDerWaalsContact C-N 3.33Å; G562-S564 PolarHBondContact O-N 3.49Å
565	D	31.7	Very low	31.1	Very low	118 Å²	118	113.7 Å²	113.7	63%	0.631	68%	0.682	S	S	*	*			trans	-50.4	121.3	-177.6	-129.6	-33.9	0	0	0	111.7	N563 S567 M568	N563-D565 PolarHBondContact O-N 2.83Å; D565-S567 PolarHBondContact O-N 3.41Å; D565-M568 PolarHBondContact O-N 3.38Å; D565-M568 VanDerWaalsContact O-N 3.17Å
566	P	35.2	Very low	31.9	Very low	96 Å²	96	113.2 Å²	113.2	62%	0.623	67%	0.666	S	S	*	*	H	α-helix	trans	-57.8	-18.6	-178.8	-24.5	32.7	0	0	0	114.2	M568 T569 A570	P566-M568 VanDerWaalsContact C-N 3.34Å; P566-M568 PolarHBondContact O-N 2.94Å; P566-T569 WeakPolarHBondContact CA-OG1 3.43Å; P566-T569 PolarHBondContact O-N 3.45Å; P566-T569 PolarHBondContact O-OG1 3.33Å; P566-A570 PolarHBondContact O-N 3Å
567	S	33.9	Very low	32.5	Very low	80 Å²	80	116.7 Å²	116.7	56%	0.559	67%	0.665	S	S	*	*	H	α-helix	trans	-59.2	-42.4	176.7	-171.6	0	0	0	0	112.4	D565 T569 A570 E571	D565-S567 PolarHBondContact O-N 3.41Å; S567-T569 VanDerWaalsContact C-N 3.33Å; S567-T569 PolarHBondContact O-N 2.8Å; S567-A570 PolarHBondContact O-N 3.38Å; S567-E571 PolarHBondContact O-N 3.27Å
568	M	30.4	Very low	32.8	Very low	130 Å²	130	117.7 Å²	117.7	64%	0.64	66%	0.657	S	S	*	*	H	α-helix	trans	-69.5	-31.9	-178.5	-72.4	-72.8	-86.3	0	0	112.1	D565 P566 L572	D565-M568 PolarHBondContact O-N 3.38Å; D565-M568 VanDerWaalsContact O-N 3.17Å; P566-M568 VanDerWaalsContact C-N 3.34Å; P566-M568 PolarHBondContact O-N 2.94Å; M568-L572 PolarHBondContact O-N 3.16Å
569	T	37.6	Very low	33.6	Very low	92 Å²	92	114.4 Å²	114.4	56%	0.564	64%	0.637	S	S	*	*	H	α-helix	trans	-69.8	-32.2	175.3	41.6	0	0	0	0	112.9	P566 S567 A573	P566-T569 WeakPolarHBondContact CA-OG1 3.43Å; P566-T569 PolarHBondContact O-N 3.45Å; P566-T569 PolarHBondContact O-OG1 3.33Å; S567-T569 VanDerWaalsContact C-N 3.33Å; S567-T569 PolarHBondContact O-N 2.8Å; T569-A573 VanDerWaalsContact O-CB 3.29Å; T569-A573 WeakPolarHBondContact O-CB 3.34Å; T569-A573 PolarHBondContact O-N 3.04Å; T569-A573 VanDerWaalsContact O-N 3.07Å
570	A	34.2	Very low	33.6	Very low	51 Å²	51	111.5 Å²	111.5	42%	0.421	63%	0.629	S	S	.	*	H	α-helix	trans	-73	-38.5	176.8	0	0	0	0	0	112	P566 S567 A573 L574	P566-A570 PolarHBondContact O-N 3Å; S567-A570 PolarHBondContact O-N 3.38Å; A570-A573 PolarHBondContact O-N 3.24Å; A570-L574 WeakPolarHBondContact O-CB 3.42Å; A570-L574 WeakPolarHBondContact O-CG 3.22Å; A570-L574 PolarHBondContact O-N 3.1Å
571	E	34.1	Very low	33.7	Very low	120 Å²	120	109.4 Å²	109.4	56%	0.561	63%	0.626	S	S	*	*	H	α-helix	trans	-65	-42.5	177.7	-135.9	176.7	-176.9	0	0	111.4	S567 L574 L575	S567-E571 PolarHBondContact O-N 3.27Å; E571-L574 PolarHBondContact O-N 3.39Å; E571-L575 WeakPolarHBondContact O-CD1 3.16Å; E571-L575 PolarHBondContact O-N 2.58Å
572	L	37	Very low	33.8	Very low	117 Å²	117	99.7 Å²	99.7	61%	0.613	60%	0.597	S	S	*	*	H	α-helix	trans	-66.1	-40	174.4	-124.9	72.5	0	0	0	112.5	M568 L574 L575 D576	M568-L572 PolarHBondContact O-N 3.16Å; L572-L574 VanDerWaalsContact C-N 3.31Å; L572-L574 PolarHBondContact O-N 3.28Å; L572-L575 PolarHBondContact O-N 3.09Å; L572-D576 PolarHBondContact O-N 3.39Å; L572-D576 VanDerWaalsContact O-N 3.17Å
573	A	39.9	Very low	33.9	Very low	59 Å²	59	102.7 Å²	102.7	49%	0.488	60%	0.604	S	S	.	*	H	α-helix	trans	-66.2	-32.8	176.7	0	0	0	0	0	112.7	T569 A570 D576 H577	T569-A573 VanDerWaalsContact O-CB 3.29Å; T569-A573 WeakPolarHBondContact O-CB 3.34Å; T569-A573 PolarHBondContact O-N 3.04Å; T569-A573 VanDerWaalsContact O-N 3.07Å; A570-A573 PolarHBondContact O-N 3.24Å; A573-D576 PolarHBondContact O-N 3.25Å; A573-H577 WeakPolarHBondContact O-CB 3.48Å; A573-H577 PolarHBondContact O-N 3.39Å
574	L	38.7	Very low	34.2	Very low	93 Å²	93	101.1 Å²	101.1	49%	0.487	59%	0.589	S	S	.	*	H	α-helix	trans	-68.4	-36.7	175.4	-81.9	163.9	0	0	0	112.1	V464 A570 E571 L572 H577 Q578	V464-L574 HydrophobicContact CG2-CD1 4.34Å; A570-L574 WeakPolarHBondContact O-CB 3.42Å; A570-L574 WeakPolarHBondContact O-CG 3.22Å; A570-L574 PolarHBondContact O-N 3.1Å; E571-L574 PolarHBondContact O-N 3.39Å; L572-L574 VanDerWaalsContact C-N 3.31Å; L572-L574 PolarHBondContact O-N 3.28Å; L574-H577 PolarHBondContact O-N 2.82Å; L574-Q578 WeakPolarHBondContact O-CB 3.46Å; L574-Q578 PolarHBondContact O-N 2.77Å
575	L	35.6	Very low	34.2	Very low	108 Å²	108	100.5 Å²	100.5	57%	0.565	59%	0.585	S	S	*	*	H	α-helix	trans	-64.1	-40.8	171.7	-89.7	86.3	0	0	0	111.6	E571 L572 H577 Q578 Y579	E571-L575 WeakPolarHBondContact O-CD1 3.16Å; E571-L575 PolarHBondContact O-N 2.58Å; L572-L575 PolarHBondContact O-N 3.09Å; L575-H577 VanDerWaalsContact C-N 3.34Å; L575-H577 PolarHBondContact O-N 3.13Å; L575-Q578 PolarHBondContact O-N 3.04Å; L575-Y579 WeakPolarHBondContact O-CD2 3.28Å; L575-Y579 PolarHBondContact O-N 3.13Å
576	D	38.3	Very low	34.5	Very low	92 Å²	92	97.8 Å²	97.8	49%	0.492	57%	0.574	S	S	.	*	H	α-helix	trans	-66.4	-37.2	177.8	-119.5	25.8	0	0	0	112	L572 A573	L572-D576 PolarHBondContact O-N 3.39Å; L572-D576 VanDerWaalsContact O-N 3.17Å; A573-D576 PolarHBondContact O-N 3.25Å
577	H	37.3	Very low	34.4	Very low	170 Å²	170	97.8 Å²	97.8	79%	0.787	57%	0.573	S	S	*	*	H	α-helix	trans	-78.5	-27.1	-179.4	-149	-58.6	0	0	0	113.4	A573 L574 L575 Y579	A573-H577 WeakPolarHBondContact O-CB 3.48Å; A573-H577 PolarHBondContact O-N 3.39Å; L574-H577 PolarHBondContact O-N 2.82Å; L575-H577 VanDerWaalsContact C-N 3.34Å; L575-H577 PolarHBondContact O-N 3.13Å; H577-Y579 VanDerWaalsContact C-N 3.28Å
578	Q	33.6	Very low	34.5	Very low	138 Å²	138	101.1 Å²	101.1	65%	0.645	58%	0.584	S	S	*	*	H	α-helix	trans	-74.3	-20.3	175.9	-167.4	168	9.6	0	0	112.5	L574 L575	L574-Q578 WeakPolarHBondContact O-CB 3.46Å; L574-Q578 PolarHBondContact O-N 2.77Å; L575-Q578 PolarHBondContact O-N 3.04Å
579	Y	38.8	Very low	35	Very low	127 Å²	127	98.5 Å²	98.5	50%	0.498	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-130.2	51.7	-175.5	-58.5	-76.9	0	0	0	113.6	L575 H577	L575-Y579 WeakPolarHBondContact O-CD2 3.28Å; L575-Y579 PolarHBondContact O-N 3.13Å; H577-Y579 VanDerWaalsContact C-N 3.28Å
580	G	31.1	Very low	35.2	Very low	56 Å²	56	100.2 Å²	100.2	58%	0.577	58%	0.575	S	S	*	*			trans	56.4	72.1	148.7	0	0	0	0	0	117	A582	G580-A582 PolarHBondContact O-N 2.92Å
581	G	26.2	Very low	35.8	Very low	77 Å²	77	107.3 Å²	107.3	79%	0.794	60%	0.597	S	S	*	*				64.9	22	120.8	0	0	0	0	0	120
582	A	29.5	Very low	36.7	Very low	34 Å²	34	107.9 Å²	107.9	28%	0.281	60%	0.604	S	S	.	*			trans	-90.4	122.5	158.7	0	0	0	0	0	108.2	G580 F584	G580-A582 PolarHBondContact O-N 2.92Å; A582-F584 HydrophobicContact CB-CD2 3.56Å; A582-F584 HydrophobicContact CB-CE2 3.66Å; A582-F584 PolarHBondContact O-N 2.81Å
583	P	30.8	Very low	38.2	Very low	133 Å²	133	105 Å²	105	86%	0.864	59%	0.589	S	S	*	*			trans	-73.8	64.7	173.1	32.8	-33.4	0	0	0	108.6	S585	P583-S585 PolarHBondContact O-N 2.86Å
584	F	32.9	Very low	40	Very low	131 Å²	131	104.8 Å²	104.8	58%	0.575	58%	0.575	S	S	*	*			trans	-80.7	103.1	154.3	-69.5	-72.8	0	0	0	103.8	A582 C586	A582-F584 HydrophobicContact CB-CD2 3.56Å; A582-F584 HydrophobicContact CB-CE2 3.66Å; A582-F584 PolarHBondContact O-N 2.81Å; F584-C586 PolarHBondContact O-N 3.44Å; F584-C586 PolarHBondContact O-SG 3.08Å; F584-C586 VanDerWaalsContact O-SG 3.34Å
585	S	31.6	Very low	42.1	Very low	88 Å²	88	102.4 Å²	102.4	62%	0.615	56%	0.564	S	S	*	*			trans	-51.6	84.4	161.2	-173.2	0	0	0	0	107.7	P583 T587	P583-S585 PolarHBondContact O-N 2.86Å; S585-T587 PolarHBondContact O-N 2.96Å; S585-T587 PolarHBondContact O-OG1 3.37Å; S585-T587 WeakPolarHBondContact OG-CB 3.34Å; S585-T587 WeakPolarHBondContact OG-CG2 3.35Å; S585-T587 PolarHBondContact OG-OG1 3.04Å
586	C	37.2	Very low	44.4	Very low	61 Å²	61	105.9 Å²	105.9	41%	0.412	58%	0.578	S	S	.	*			trans	-75.2	41.9	162.2	38.8	0	0	0	0	108.1	F584 N588	F584-C586 PolarHBondContact O-N 3.44Å; F584-C586 PolarHBondContact O-SG 3.08Å; F584-C586 VanDerWaalsContact O-SG 3.34Å; C586-N588 PolarHBondContact O-N 3.5Å
587	T	33	Very low	46.6	Very low	97 Å²	97	102.6 Å²	102.6	60%	0.595	56%	0.561	S	S	*	*			trans	-57.3	107.3	164	38.9	0	0	0	0	106.9	S585 V589	S585-T587 PolarHBondContact O-N 2.96Å; S585-T587 PolarHBondContact O-OG1 3.37Å; S585-T587 WeakPolarHBondContact OG-CB 3.34Å; S585-T587 WeakPolarHBondContact OG-CG2 3.35Å; S585-T587 PolarHBondContact OG-OG1 3.04Å; T587-V589 VanDerWaalsContact C-N 3.25Å; T587-V589 PolarHBondContact O-N 3.2Å
588	N	36.3	Very low	48.9	Very low	149 Å²	149	97.9 Å²	97.9	80%	0.797	55%	0.545	S	S	*	.			trans	33.1	57.7	156.8	-74.7	-19.4	0	0	0	113.4	C586 K590	C586-N588 PolarHBondContact O-N 3.5Å; N588-K590 PolarHBondContact O-N 2.89Å
589	V	41.9	Very low	51.1	Low	75 Å²	75	97.4 Å²	97.4	46%	0.455	55%	0.547	S	S	.	.			trans	-69.1	88.5	166.8	-178.3	0	0	0	0	104.3	T309 T587 K591	T309-V589 HydrophobicContact CG2-CG1 4.26Å; T587-V589 VanDerWaalsContact C-N 3.25Å; T587-V589 PolarHBondContact O-N 3.2Å; V589-K591 PolarHBondContact O-N 2.87Å
590	K	41.3	Very low	53.4	Low	129 Å²	129	98 Å²	98	56%	0.561	56%	0.555	S	S	*	*			trans	-31.8	112.2	179.6	-72	176.4	175.2	-177.4	0	109.2	N588 D592 L593	N588-K590 PolarHBondContact O-N 2.89Å; K590-D592 HydrophobicContact CB-CB 3.98Å; K590-D592 PolarHBondContact O-N 3.46Å; K590-D592 VanDerWaalsContact O-N 3.09Å; K590-L593 HydrophobicContact CB-CD1 3.86Å; K590-L593 HydrophobicContact CD-CD1 3.94Å; K590-L593 HydrophobicContact CG-CD1 4.46Å; K590-L593 PolarHBondContact O-N 3.37Å
591	K	47.3	Very low	56.1	Low	200 Å²	200	97.5 Å²	97.5	87%	0.87	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-49.4	-27.7	158.3	-164.1	177.4	178.5	-175.4	0	109.5	V589 L593	V589-K591 PolarHBondContact O-N 2.87Å; K591-L593 PolarHBondContact O-N 3.21Å; K591-L593 VanDerWaalsContact O-N 3.14Å
592	D	51.6	Low	58.9	Low	132 Å²	132	94.2 Å²	94.2	71%	0.706	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-68.6	3.9	175.9	-31.9	-36.3	0	0	0	116	K590 R594	K590-D592 HydrophobicContact CB-CB 3.98Å; K590-D592 PolarHBondContact O-N 3.46Å; K590-D592 VanDerWaalsContact O-N 3.09Å; D592-R594 VanDerWaalsContact C-N 3.29Å
593	L	69.5	Low	61.6	Low	57 Å²	57	95.1 Å²	95.1	30%	0.298	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-87.6	10.9	174.3	-118.4	91	0	0	0	113.5	K590 K591 P614 W616	K590-L593 HydrophobicContact CB-CD1 3.86Å; K590-L593 HydrophobicContact CD-CD1 3.94Å; K590-L593 HydrophobicContact CG-CD1 4.46Å; K590-L593 PolarHBondContact O-N 3.37Å; K591-L593 PolarHBondContact O-N 3.21Å; K591-L593 VanDerWaalsContact O-N 3.14Å; L593-P614 WeakPolarHBondContact O-CG 3.32Å; L593-W616 HydrophobicContact CD2-CG 4.33Å
594	R	77.6	Confident	64.3	Low	54 Å²	54	91.9 Å²	91.9	20%	0.204	48%	0.476	C	S	.	.	S	Bend	trans	-118.1	131.6	175.8	-64.4	-167	170.7	-139.5	5.6	110.7	M303 C307 D592 E596 T674 G675 I676	M303-R594 PolarHBondContact SD-NH1 2.96Å; M303-R594 VanDerWaalsContact SD-NH1 3.44Å; C307-R594 PolarHBondContact O-NH2 3.44Å; C307-R594 VanDerWaalsContact O-NH2 3.08Å; D592-R594 VanDerWaalsContact C-N 3.29Å; R594-E596 PolarHBondContact O-N 3.25Å; R594-T674 PolarHBondContact NH1-O 3.42Å; R594-G675 CarbonylContact C-O 3.57Å; R594-G675 VanDerWaalsContact CA-O 3.31Å; R594-G675 WeakPolarHBondContact CA-O 3.37Å; R594-I676 HydrophobicContact CG-CB 4.23Å
595	T	83.9	Confident	66.9	Low	43 Å²	43	93.1 Å²	93.1	26%	0.264	48%	0.484	S	S	.	.			trans	-66.5	127.8	167.1	-53.1	0	0	0	0	108.6	V597 Y611 H612 P613 P614 G675	T595-V597 PolarHBondContact O-N 3.34Å; T595-Y611 HydrophobicContact CG2-CD2 4.44Å; T595-H612 PolarHBondContact OG1-O 3.26Å; T595-P613 WeakPolarHBondContact OG1-CA 3.48Å; T595-P614 VanDerWaalsContact OG1-CD 3.27Å; T595-P614 WeakPolarHBondContact OG1-CD 3.26Å; T595-G675 PolarHBondContact N-O 2.69Å; T595-G675 WeakPolarHBondContact O-CA 3.35Å
596	E	83.5	Confident	69.6	Low	180 Å²	180	93.1 Å²	93.1	84%	0.841	47%	0.473	S	S	*	.			trans	-63.6	130.7	173.9	-64.9	-177.4	175	0	0	110	R594	R594-E596 PolarHBondContact O-N 3.25Å
597	V	83.7	Confident	72.1	Confident	24 Å²	24	96 Å²	96	15%	0.145	49%	0.491	C	S	.	.			trans	-119	112	178.2	-175.9	0	0	0	0	107.1	T595 L601 V602 F608 Y611 R673	T595-V597 PolarHBondContact O-N 3.34Å; V597-L601 HydrophobicContact CG1-CB 4.42Å; V597-V602 HydrophobicContact CB-CG2 4.49Å; V597-V602 HydrophobicContact CG1-CB 4.49Å; V597-V602 HydrophobicContact CG1-CG2 3.76Å; V597-F608 HydrophobicContact CG1-CE1 4.32Å; V597-Y611 HydrophobicContact CG2-CD2 4.12Å; V597-Y611 HydrophobicContact CG2-CE2 3.5Å; V597-Y611 VanDerWaalsContact CG2-CE2 3.5Å; V597-R673 HydrophobicContact CG1-CB 3.89Å; V597-R673 HydrophobicContact CG2-CB 4.12Å
598	P	85.5	Confident	74.9	Confident	70 Å²	70	93.2 Å²	93.2	46%	0.455	47%	0.471	S	S	.	.			trans	-56.4	140.3	171.9	-24.7	34.3	0	0	0	110.5	E600 L601 V602	P598-E600 PolarHBondContact O-N 3.36Å; P598-L601 HydrophobicContact CB-CD1 4.49Å; P598-L601 HydrophobicContact CG-CD1 4.14Å; P598-L601 WeakPolarHBondContact O-CA 3.25Å; P598-L601 PolarHBondContact O-N 2.98Å; P598-V602 PolarHBondContact O-N 3.22Å
599	D	80.7	Confident	77.4	Confident	128 Å²	128	91.9 Å²	91.9	68%	0.684	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-50.2	-36.6	-177.5	-73.4	-25.1	0	0	0	112.8	L601 V602	D599-L601 VanDerWaalsContact C-N 3.3Å; D599-L601 PolarHBondContact O-N 3.39Å; D599-V602 WeakPolarHBondContact O-CB 3.34Å; D599-V602 WeakPolarHBondContact O-CG2 3.37Å; D599-V602 PolarHBondContact O-N 2.71Å
600	E	85.8	Confident	79.6	Confident	140 Å²	140	92.1 Å²	92.1	65%	0.654	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-64.8	-31.4	177.6	-66.4	-173.5	-163.4	0	0	113.4	P598 K606	P598-E600 PolarHBondContact O-N 3.36Å; E600-K606 WeakPolarHBondContact O-CD 3.44Å; E600-K606 WeakPolarHBondContact O-CE 3.32Å; E600-K606 PolarHBondContact O-NZ 3.41Å
601	L	87.9	Confident	81.9	Confident	46 Å²	46	87.4 Å²	87.4	24%	0.241	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-96.7	4.9	-176.1	-61.3	177.9	0	0	0	112.9	V597 P598 D599 F608 R673	V597-L601 HydrophobicContact CG1-CB 4.42Å; P598-L601 HydrophobicContact CB-CD1 4.49Å; P598-L601 HydrophobicContact CG-CD1 4.14Å; P598-L601 WeakPolarHBondContact O-CA 3.25Å; P598-L601 PolarHBondContact O-N 2.98Å; D599-L601 VanDerWaalsContact C-N 3.3Å; D599-L601 PolarHBondContact O-N 3.39Å; L601-F608 HydrophobicContact CB-CD1 3.82Å; L601-F608 HydrophobicContact CB-CE1 4.23Å; L601-F608 HydrophobicContact CB-CG 4.21Å; L601-F608 HydrophobicContact CD1-CD1 4Å; L601-F608 HydrophobicContact CD1-CD2 3.75Å; L601-F608 HydrophobicContact CD1-CE1 4.04Å; L601-F608 HydrophobicContact CD1-CE2 3.73Å; L601-F608 HydrophobicContact CD1-CG 3.88Å; L601-F608 HydrophobicContact CD1-CZ 3.91Å; L601-R673 WeakPolarHBondContact O-CD 3.49Å; L601-R673 PolarHBondContact O-NH1 3.3Å
602	V	84.8	Confident	83.7	Confident	7 Å²	7	84.9 Å²	84.9	4%	0.042	45%	0.447	C	S	.	.			trans	-62.7	-48	177.1	174.2	0	0	0	0	112.3	Q302 V597 P598 D599 W604 L671 G672 R673	Q302-V602 HydrophobicContact CG-CG1 4.32Å; V597-V602 HydrophobicContact CB-CG2 4.49Å; V597-V602 HydrophobicContact CG1-CB 4.49Å; V597-V602 HydrophobicContact CG1-CG2 3.76Å; P598-V602 PolarHBondContact O-N 3.22Å; D599-V602 WeakPolarHBondContact O-CB 3.34Å; D599-V602 WeakPolarHBondContact O-CG2 3.37Å; D599-V602 PolarHBondContact O-N 2.71Å; V602-W604 PolarHBondContact O-N 3.46Å; V602-L671 WeakPolarHBondContact CG1-O 3.46Å; V602-G672 CarbonylContact O-C 3.51Å; V602-G672 WeakPolarHBondContact O-CA 3.08Å; V602-R673 PolarHBondContact O-N 3.28Å
603	P	86.9	Confident	85.4	Confident	53 Å²	53	80.1 Å²	80.1	34%	0.344	42%	0.424	S	S	.	.	S	Bend	trans	-64.5	132.9	-178.9	-21.1	34.1	0	0	0	112.5	Q605 K606 R673	P603-Q605 PolarHBondContact O-N 3.12Å; P603-Q605 VanDerWaalsContact O-N 3.14Å; P603-K606 PolarHBondContact O-N 3.02Å; P603-R673 PolarHBondContact O-NH1 3.11Å
604	W	87.2	Confident	86.2	Confident	65 Å²	65	79.5 Å²	79.5	25%	0.246	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.4	-179	-67.5	112.9	0	0	0	113.5	V602 K606 Y611 L668 N669 R673	V602-W604 PolarHBondContact O-N 3.46Å; W604-K606 PolarHBondContact O-N 2.93Å; W604-Y611 HydrophobicContact CH2-CE1 4.14Å; W604-Y611 HydrophobicContact CZ3-CE1 4.19Å; W604-L668 HydrophobicContact CD2-CD1 4.07Å; W604-L668 HydrophobicContact CE3-CD1 4.39Å; W604-L668 HydrophobicContact CG-CD1 4.19Å; W604-L668 HydrophobicContact CH2-CD2 4.09Å; W604-L668 HydrophobicContact CZ2-CB 4.39Å; W604-L668 HydrophobicContact CZ2-CD2 4.08Å; W604-L668 HydrophobicContact CZ3-CD2 4.33Å; W604-N669 PolarHBondContact NE1-O 3.38Å; W604-R673 HydrophobicContact CD2-CG 4.21Å; W604-R673 HydrophobicContact CE3-CG 3.74Å; W604-R673 HydrophobicContact CH2-CB 4.47Å; W604-R673 HydrophobicContact CH2-CG 3.67Å; W604-R673 HydrophobicContact CZ2-CG 4.12Å; W604-R673 HydrophobicContact CZ3-CG 3.47Å; W604-R673 VanDerWaalsContact CZ3-CG 3.47Å; W604-R673 PolarHBondContact O-NH2 2.9Å
605	Q	87.5	Confident	86.5	Confident	157 Å²	157	82.4 Å²	82.4	73%	0.734	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.7	178.8	-62	77.9	13.1	0	0	112.6	P603	P603-Q605 PolarHBondContact O-N 3.12Å; P603-Q605 VanDerWaalsContact O-N 3.14Å
606	K	88.8	Confident	86.4	Confident	89 Å²	89	82.9 Å²	82.9	39%	0.387	43%	0.432	S	S	.	.	S	Bend	trans	-84.8	126.1	174.2	-77.2	177.4	170.3	-167.9	0	109.9	E600 P603 W604 F608 R673	E600-K606 WeakPolarHBondContact O-CD 3.44Å; E600-K606 WeakPolarHBondContact O-CE 3.32Å; E600-K606 PolarHBondContact O-NZ 3.41Å; P603-K606 PolarHBondContact O-N 3.02Å; W604-K606 PolarHBondContact O-N 2.93Å; K606-F608 PolarHBondContact O-N 3.42Å; K606-R673 PolarHBondContact O-NH1 3.43Å; K606-R673 PolarHBondContact O-NH2 2.95Å
607	P	90	Very high	86.3	Confident	120 Å²	120	76.4 Å²	76.4	78%	0.779	41%	0.405	S	S	*	.			trans	-67.3	133.3	177.9	27.7	-33.3	0	0	0	109.9
608	F	90.6	Very high	86.1	Confident	40 Å²	40	77 Å²	77	18%	0.175	41%	0.408	C	S	.	.			trans	-138	84	175.6	-170.9	-171.2	0	0	0	108.7	V597 L601 K606 S610 Y611	V597-F608 HydrophobicContact CG1-CE1 4.32Å; L601-F608 HydrophobicContact CB-CD1 3.82Å; L601-F608 HydrophobicContact CB-CE1 4.23Å; L601-F608 HydrophobicContact CB-CG 4.21Å; L601-F608 HydrophobicContact CD1-CD1 4Å; L601-F608 HydrophobicContact CD1-CD2 3.75Å; L601-F608 HydrophobicContact CD1-CE1 4.04Å; L601-F608 HydrophobicContact CD1-CE2 3.73Å; L601-F608 HydrophobicContact CD1-CG 3.88Å; L601-F608 HydrophobicContact CD1-CZ 3.91Å; K606-F608 PolarHBondContact O-N 3.42Å; F608-S610 VanDerWaalsContact C-N 3.33Å; F608-S610 WeakPolarHBondContact CE2-OG 3.48Å; F608-S610 PolarHBondContact O-N 3.49Å; F608-Y611 AromaticContact CD1-CD2 3.89Å; F608-Y611 HydrophobicContact CD1-CD2 3.89Å; F608-Y611 AromaticContact CD1-CG 3.95Å; F608-Y611 HydrophobicContact CD1-CG 3.95Å; F608-Y611 AromaticContact CE1-CD2 3.79Å; F608-Y611 HydrophobicContact CE1-CD2 3.79Å; F608-Y611 HydrophobicContact CE1-CG 4.28Å; F608-Y611 VanDerWaalsContact O-CB 3.24Å; F608-Y611 WeakPolarHBondContact O-CB 3.3Å; F608-Y611 PolarHBondContact O-N 2.96Å
609	S	88.8	Confident	85.9	Confident	121 Å²	121	79.1 Å²	79.1	85%	0.846	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-30	-170.7	50.3	0	0	0	0	114	Y611 H612	S609-Y611 VanDerWaalsContact C-N 3.28Å; S609-Y611 PolarHBondContact O-N 3.4Å; S609-H612 PolarHBondContact O-CE1 3.13Å
610	S	88.5	Confident	86	Confident	79 Å²	79	76 Å²	76	55%	0.552	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	3.7	177.5	60.9	0	0	0	0	113.6	F608 H612	F608-S610 VanDerWaalsContact C-N 3.33Å; F608-S610 WeakPolarHBondContact CE2-OG 3.48Å; F608-S610 PolarHBondContact O-N 3.49Å; S610-H612 VanDerWaalsContact C-ND1 3.31Å; S610-H612 PolarHBondContact O-N 3.29Å; S610-H612 VanDerWaalsContact O-N 3.08Å; S610-H612 PolarHBondContact O-ND1 2.85Å
611	Y	89.9	Confident	85.5	Confident	31 Å²	31	72.7 Å²	72.7	12%	0.122	40%	0.402	C	S	.	.			trans	-74	99	-179.5	-174.1	-115.9	0	0	0	111.9	T595 V597 W604 F608 S609 P613 R673 T674 G675	T595-Y611 HydrophobicContact CG2-CD2 4.44Å; V597-Y611 HydrophobicContact CG2-CD2 4.12Å; V597-Y611 HydrophobicContact CG2-CE2 3.5Å; V597-Y611 VanDerWaalsContact CG2-CE2 3.5Å; W604-Y611 HydrophobicContact CH2-CE1 4.14Å; W604-Y611 HydrophobicContact CZ3-CE1 4.19Å; F608-Y611 AromaticContact CD1-CD2 3.89Å; F608-Y611 HydrophobicContact CD1-CD2 3.89Å; F608-Y611 AromaticContact CD1-CG 3.95Å; F608-Y611 HydrophobicContact CD1-CG 3.95Å; F608-Y611 AromaticContact CE1-CD2 3.79Å; F608-Y611 HydrophobicContact CE1-CD2 3.79Å; F608-Y611 HydrophobicContact CE1-CG 4.28Å; F608-Y611 VanDerWaalsContact O-CB 3.24Å; F608-Y611 WeakPolarHBondContact O-CB 3.3Å; F608-Y611 PolarHBondContact O-N 2.96Å; S609-Y611 VanDerWaalsContact C-N 3.28Å; S609-Y611 PolarHBondContact O-N 3.4Å; Y611-P613 HydrophobicContact CD1-CG 4.15Å; Y611-P613 HydrophobicContact CE1-CB 4.2Å; Y611-P613 HydrophobicContact CE1-CG 3.56Å; Y611-P613 HydrophobicContact CE2-CB 4.19Å; Y611-P613 HydrophobicContact CE2-CG 4.37Å; Y611-P613 WeakPolarHBondContact O-CD 3.35Å; Y611-R673 HydrophobicContact CD1-CG 4.1Å; Y611-R673 HydrophobicContact CE1-CB 4.11Å; Y611-R673 HydrophobicContact CE1-CG 3.7Å; Y611-R673 HydrophobicContact CE2-CB 4.08Å; Y611-R673 HydrophobicContact CE2-CG 4.37Å; Y611-T674 PolarHBondContact OH-N 3.37Å; Y611-G675 PolarHBondContact OH-N 3.12Å
612	H	85.5	Confident	85	Confident	146 Å²	146	73.2 Å²	73.2	68%	0.676	40%	0.403	S	S	*	.			trans	-121.6	76.8	176.8	-60.2	87.8	0	0	0	109.6	T595 S609 S610	T595-H612 PolarHBondContact OG1-O 3.26Å; S609-H612 PolarHBondContact O-CE1 3.13Å; S610-H612 VanDerWaalsContact C-ND1 3.31Å; S610-H612 PolarHBondContact O-N 3.29Å; S610-H612 VanDerWaalsContact O-N 3.08Å; S610-H612 PolarHBondContact O-ND1 2.85Å
613	P	87.5	Confident	84.7	Confident	32 Å²	32	83.3 Å²	83.3	21%	0.208	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-65.9	136.3	-178.8	28.3	-35.5	0	0	0	110.6	T595 Y611 Y615 A677	T595-P613 WeakPolarHBondContact OG1-CA 3.48Å; Y611-P613 HydrophobicContact CD1-CG 4.15Å; Y611-P613 HydrophobicContact CE1-CB 4.2Å; Y611-P613 HydrophobicContact CE1-CG 3.56Å; Y611-P613 HydrophobicContact CE2-CB 4.19Å; Y611-P613 HydrophobicContact CE2-CG 4.37Å; Y611-P613 WeakPolarHBondContact O-CD 3.35Å; P613-Y615 PolarHBondContact O-N 2.88Å; P613-A677 HydrophobicContact CB-CB 4.28Å; P613-A677 HydrophobicContact CG-CB 3.93Å
614	P	84.7	Confident	84.4	Confident	44 Å²	44	88.1 Å²	88.1	29%	0.286	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-58.8	139.3	172.9	23.6	-34.4	0	0	0	111.2	L593 T595 G675 I676 A677	L593-P614 WeakPolarHBondContact O-CG 3.32Å; T595-P614 VanDerWaalsContact OG1-CD 3.27Å; T595-P614 WeakPolarHBondContact OG1-CD 3.26Å; P614-G675 WeakPolarHBondContact CD-O 3.32Å; P614-I676 WeakPolarHBondContact O-CG1 3.29Å; P614-A677 PolarHBondContact O-N 3.24Å
615	Y	84.4	Confident	84.4	Confident	116 Å²	116	86.3 Å²	86.3	46%	0.455	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	125.4	177.2	-171.7	-92.3	0	0	0	110.5	P613 T617 E628 A677 W685	P613-Y615 PolarHBondContact O-N 2.88Å; Y615-T617 HydrophobicContact CE1-CG2 3.76Å; Y615-E628 PolarHBondContact OH-OE2 3.36Å; Y615-A677 CarbonylContact C-O 3.46Å; Y615-A677 WeakPolarHBondContact CA-O 3.45Å; Y615-A677 HydrophobicContact CD2-CB 4.43Å; Y615-W685 HydrophobicContact CE2-CH2 4.2Å; Y615-W685 WeakPolarHBondContact OH-CH2 3.12Å
616	W	82.8	Confident	84.3	Confident	52 Å²	52	79.2 Å²	79.2	20%	0.197	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	119.9	-179	-170.9	78.9	0	0	0	111.7	L308 T309 L593 V618 I676 A677 G680	L308-W616 WeakPolarHBondContact O-CZ3 3.49Å; T309-W616 HydrophobicContact CG2-CH2 4.28Å; T309-W616 HydrophobicContact CG2-CZ2 4.45Å; T309-W616 HydrophobicContact CG2-CZ3 4.34Å; L593-W616 HydrophobicContact CD2-CG 4.33Å; W616-V618 HydrophobicContact CH2-CG2 3.21Å; W616-V618 HydrophobicContact CZ2-CG2 3.22Å; W616-V618 HydrophobicContact CZ3-CG2 3.95Å; W616-I676 HydrophobicContact CB-CD1 3.76Å; W616-I676 HydrophobicContact CB-CG1 4.12Å; W616-I676 HydrophobicContact CG-CD1 4.3Å; W616-A677 PolarHBondContact N-O 3.38Å; W616-G680 VanDerWaalsContact CE3-CA 3.41Å; W616-G680 WeakPolarHBondContact O-CA 3.43Å; W616-G680 PolarHBondContact O-N 3.32Å
617	T	81.7	Confident	83.9	Confident	44 Å²	44	77.7 Å²	77.7	27%	0.27	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	146	174.9	-165.1	0	0	0	0	110.3	Y615 E628 R679	Y615-T617 HydrophobicContact CE1-CG2 3.76Å; T617-E628 HydrophobicContact CG2-CG 4.35Å; T617-E628 WeakPolarHBondContact CG2-OE2 3.45Å; T617-E628 VanDerWaalsContact OG1-CD 3.23Å; T617-E628 PolarHBondContact OG1-OE1 3.11Å; T617-E628 PolarHBondContact OG1-OE2 3.46Å; T617-R679 PolarHBondContact OG1-NH2 3.35Å
618	V	79.4	Confident	83.4	Confident	36 Å²	36	74.7 Å²	74.7	22%	0.218	39%	0.391	C	S	.	.			trans	-110.3	143.1	179	-178.3	0	0	0	0	109.4	W616 C620 R679 G680 Y681	W616-V618 HydrophobicContact CH2-CG2 3.21Å; W616-V618 HydrophobicContact CZ2-CG2 3.22Å; W616-V618 HydrophobicContact CZ3-CG2 3.95Å; V618-C620 PolarHBondContact O-N 2.98Å; V618-R679 PolarHBondContact O-NH2 3.03Å; V618-G680 PolarHBondContact N-O 2.73Å; V618-Y681 HydrophobicContact CB-CD2 4.35Å; V618-Y681 HydrophobicContact CG1-CD2 4.11Å; V618-Y681 HydrophobicContact CG1-CE2 4.41Å; V618-Y681 HydrophobicContact CG2-CD2 4.42Å
619	P	81.3	Confident	82.3	Confident	116 Å²	116	76.7 Å²	76.7	75%	0.753	41%	0.406	S	S	*	.			trans	-48.9	138.6	170	-28.7	35.8	0	0	0	112.1	S621	P619-S621 PolarHBondContact O-N 2.92Å; P619-S621 VanDerWaalsContact O-N 3.16Å
620	C	82.3	Confident	80.9	Confident	61 Å²	61	75 Å²	75	41%	0.412	39%	0.388	S	S	.	.			trans	-63.2	117.6	-176	-178.3	0	0	0	0	111.4	V618 F622 C625	V618-C620 PolarHBondContact O-N 2.98Å; C620-F622 PolarHBondContact SG-O 3.44Å; C620-C625 HydrophobicContact CB-CB 3.6Å; C620-C625 WeakPolarHBondContact CB-SG 3.45Å; C620-C625 WeakPolarHBondContact SG-CB 3.48Å; C620-C625 PolarHBondContact SG-N 3.45Å; C620-C625 VanDerWaalsContact SG-N 3.41Å; C620-C625 CovalentContact SG-SG 2.02Å; C620-C625 PolarHBondContact SG-SG 3.33Å
621	S	74.9	Confident	79.1	Confident	72 Å²	72	78.1 Å²	78.1	50%	0.503	40%	0.397	S	S	.	.			trans	-95.2	-0.5	171.2	57.1	0	0	0	0	113.3	P619 Y681	P619-S621 PolarHBondContact O-N 2.92Å; P619-S621 VanDerWaalsContact O-N 3.16Å; S621-Y681 PolarHBondContact OG-OH 3.23Å
622	F	78.1	Confident	77.6	Confident	57 Å²	57	80.4 Å²	80.4	25%	0.25	42%	0.418	C	S	.	.	S	Bend	trans	-99.4	164.4	-179	-60.5	-85.2	0	0	0	111.6	C620 Y624 Y681 P683 F724	C620-F622 PolarHBondContact SG-O 3.44Å; F622-Y624 PolarHBondContact O-N 3.31Å; F622-Y681 HydrophobicContact CE2-CD1 4.24Å; F622-Y681 HydrophobicContact CE2-CE1 4.04Å; F622-Y681 WeakPolarHBondContact CE2-O 3.36Å; F622-Y681 HydrophobicContact CZ-CD1 4.39Å; F622-Y681 HydrophobicContact CZ-CE1 4Å; F622-P683 HydrophobicContact CB-CB 4.16Å; F622-P683 HydrophobicContact CD2-CB 3.8Å; F622-P683 HydrophobicContact CD2-CG 4.21Å; F622-P683 HydrophobicContact CE2-CB 4.42Å; F622-P683 HydrophobicContact CE2-CG 4.41Å; F622-P683 HydrophobicContact CG-CB 3.93Å; F622-P683 HydrophobicContact CG-CG 4.31Å; F622-F724 HydrophobicContact CD1-CD2 4.15Å; F622-F724 AromaticContact CE1-CD2 3.4Å; F622-F724 HydrophobicContact CE1-CD2 3.4Å; F622-F724 AromaticContact CE1-CE2 3.66Å; F622-F724 HydrophobicContact CE1-CE2 3.66Å; F622-F724 AromaticContact CZ-CD2 3.79Å; F622-F724 HydrophobicContact CZ-CD2 3.79Å; F622-F724 AromaticContact CZ-CE2 3.59Å; F622-F724 HydrophobicContact CZ-CE2 3.59Å
623	R	77.8	Confident	76.3	Confident	219 Å²	219	73.6 Å²	73.6	83%	0.826	39%	0.386	S	S	*	.	S	Bend	trans	-56.9	-38	-179.8	-168.7	-177.3	177.4	141.7	-0.4	112.8
624	Y	81.5	Confident	75.2	Confident	153 Å²	153	78.6 Å²	78.6	60%	0.6	41%	0.408	S	S	*	.	S	Bend	trans	-146.6	126.3	174.1	-62.1	-75	0	0	0	108.5	F622 R684	F622-Y624 PolarHBondContact O-N 3.31Å; Y624-R684 PolarHBondContact O-NH1 3.06Å; Y624-R684 VanDerWaalsContact O-NH1 3.16Å; Y624-R684 PolarHBondContact O-NH2 3.23Å
625	C	85.6	Confident	74.9	Confident	27 Å²	27	78.3 Å²	78.3	18%	0.182	41%	0.414	C	S	.	.			trans	-112.8	161	166.8	-58.9	0	0	0	0	110	C620 P683	C620-C625 HydrophobicContact CB-CB 3.6Å; C620-C625 WeakPolarHBondContact CB-SG 3.45Å; C620-C625 WeakPolarHBondContact SG-CB 3.48Å; C620-C625 PolarHBondContact SG-N 3.45Å; C620-C625 VanDerWaalsContact SG-N 3.41Å; C620-C625 CovalentContact SG-SG 2.02Å; C620-C625 PolarHBondContact SG-SG 3.33Å; C625-P683 CarbonylContact C-O 3.55Å; C625-P683 WeakPolarHBondContact CA-O 3.38Å; C625-P683 WeakPolarHBondContact CB-O 3.12Å
626	D	86.1	Confident	74.9	Confident	9 Å²	9	73.7 Å²	73.7	5%	0.048	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-66.2	144.5	168.2	-66.2	-17.4	0	0	0	110.2	I636 R647 P683 R684 W685	D626-I636 HydrophobicContact CB-CD1 4.2Å; D626-R647 VanDerWaalsContact CG-NH2 3.31Å; D626-R647 IonicContact OD1-CZ 3.49Å; D626-R647 IonicContact OD1-NH1 2.77Å; D626-R647 IonicContact OD1-NH2 3.36Å; D626-R647 PolarHBondContact OD1-NH2 3.49Å; D626-R647 IonicContact OD2-CZ 3.66Å; D626-R647 IonicContact OD2-NH1 3.71Å; D626-R647 PolarHBondContact OD2-NH1 3.43Å; D626-R647 IonicContact OD2-NH2 2.76Å; D626-R647 PolarHBondContact OD2-NH2 2.81Å; D626-P683 PolarHBondContact N-O 3.47Å; D626-R684 WeakPolarHBondContact OD1-CD 2.98Å; D626-R684 IonicContact OD1-NH1 3.03Å; D626-R684 PolarHBondContact OD1-NH1 2.81Å; D626-R684 VanDerWaalsContact OD2-CA 3.29Å; D626-R684 WeakPolarHBondContact OD2-CA 3.45Å; D626-W685 PolarHBondContact OD2-N 3.25Å
627	P	81.7	Confident	75.2	Confident	56 Å²	56	77.8 Å²	77.8	36%	0.364	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-64	148.3	176.7	27.5	-34	0	0	0	111	T633 W685	P627-T633 PolarHBondContact O-OG1 2.96Å; P627-W685 PolarHBondContact O-NE1 2.95Å
628	E	79.3	Confident	75.5	Confident	58 Å²	58	76.9 Å²	76.9	27%	0.271	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-62.3	158.3	167.1	-65.6	-57.8	138.6	0	0	110.7	Y615 T617 N630 T633 R679	Y615-E628 PolarHBondContact OH-OE2 3.36Å; T617-E628 HydrophobicContact CG2-CG 4.35Å; T617-E628 WeakPolarHBondContact CG2-OE2 3.45Å; T617-E628 VanDerWaalsContact OG1-CD 3.23Å; T617-E628 PolarHBondContact OG1-OE1 3.11Å; T617-E628 PolarHBondContact OG1-OE2 3.46Å; E628-N630 PolarHBondContact O-N 3.2Å; E628-T633 PolarHBondContact O-OG1 2.94Å; E628-R679 IonicContact OE1-CZ 3.81Å; E628-R679 IonicContact OE1-NE 2.87Å; E628-R679 PolarHBondContact OE1-NE 3.45Å; E628-R679 IonicContact OE1-NH2 2.74Å; E628-R679 PolarHBondContact OE1-NH2 3.17Å
629	V	65.7	Low	75.8	Confident	81 Å²	81	76.8 Å²	76.8	49%	0.491	40%	0.403	S	S	.	.	S	Bend	trans	-52.6	97.5	-171	-167	0	0	0	0	111.1	T633 L666 W685	V629-T633 WeakPolarHBondContact CA-OG1 3.4Å; V629-L666 HydrophobicContact CG2-CD1 3.96Å; V629-L666 HydrophobicContact CG2-CD2 4.08Å; V629-W685 HydrophobicContact CG2-CH2 4Å; V629-W685 HydrophobicContact CG2-CZ2 3.76Å
630	N	59.4	Low	76.2	Confident	87 Å²	87	75 Å²	75	47%	0.465	39%	0.385	S	S	.	.	S	Bend	trans	-141	-179.8	167.1	70.5	25.5	0	0	0	108.6	E628 S632 T633	E628-N630 PolarHBondContact O-N 3.2Å; N630-S632 PolarHBondContact O-N 3.42Å; N630-S632 WeakPolarHBondContact OD1-CA 3.11Å; N630-S632 WeakPolarHBondContact OD1-CB 3.36Å; N630-S632 PolarHBondContact OD1-N 3.39Å; N630-S632 PolarHBondContact OD1-OG 2.87Å; N630-T633 PolarHBondContact N-OG1 3.02Å; N630-T633 VanDerWaalsContact N-OG1 3.15Å; N630-T633 PolarHBondContact O-N 2.84Å; N630-T633 PolarHBondContact O-OG1 3.27Å
631	I	52.5	Low	76.4	Confident	143 Å²	143	77 Å²	77	73%	0.733	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-25.8	179.5	-65.1	160.8	0	0	0	113	M634	I631-M634 HydrophobicContact CB-CE 4.06Å; I631-M634 HydrophobicContact CG1-CE 3.85Å; I631-M634 HydrophobicContact CG2-CE 4.18Å; I631-M634 WeakPolarHBondContact O-CB 3.37Å
632	S	57.7	Low	77	Confident	80 Å²	80	73.7 Å²	73.7	56%	0.559	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-31.2	178.2	-49.1	0	0	0	0	113.5	N630 M634 G635	N630-S632 PolarHBondContact O-N 3.42Å; N630-S632 WeakPolarHBondContact OD1-CA 3.11Å; N630-S632 WeakPolarHBondContact OD1-CB 3.36Å; N630-S632 PolarHBondContact OD1-N 3.39Å; N630-S632 PolarHBondContact OD1-OG 2.87Å; S632-M634 PolarHBondContact O-N 3.49Å; S632-G635 PolarHBondContact O-N 2.79Å
633	T	58.4	Low	77.3	Confident	3 Å²	3	81.2 Å²	81.2	2%	0.018	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-65.3	-29	175	-33.3	0	0	0	0	110.6	P627 E628 V629 N630 G635 I636 L666	P627-T633 PolarHBondContact O-OG1 2.96Å; E628-T633 PolarHBondContact O-OG1 2.94Å; V629-T633 WeakPolarHBondContact CA-OG1 3.4Å; N630-T633 PolarHBondContact N-OG1 3.02Å; N630-T633 VanDerWaalsContact N-OG1 3.15Å; N630-T633 PolarHBondContact O-N 2.84Å; N630-T633 PolarHBondContact O-OG1 3.27Å; T633-G635 PolarHBondContact O-N 2.78Å; T633-I636 HydrophobicContact CG2-CD1 3.76Å; T633-I636 WeakPolarHBondContact O-CB 3.17Å; T633-I636 WeakPolarHBondContact O-CG1 3.49Å; T633-I636 PolarHBondContact O-N 2.97Å; T633-I636 VanDerWaalsContact O-N 3.09Å; T633-L666 HydrophobicContact CG2-CD2 4.46Å
634	M	64.4	Low	77.5	Confident	136 Å²	136	72.3 Å²	72.3	67%	0.67	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-64	-17.6	172.4	-63.2	-164.6	-85.7	0	0	113.5	I631 S632 I636	I631-M634 HydrophobicContact CB-CE 4.06Å; I631-M634 HydrophobicContact CG1-CE 3.85Å; I631-M634 HydrophobicContact CG2-CE 4.18Å; I631-M634 WeakPolarHBondContact O-CB 3.37Å; S632-M634 PolarHBondContact O-N 3.49Å; M634-I636 VanDerWaalsContact C-N 3.32Å
635	G	78.5	Confident	77.8	Confident	39 Å²	39	66.2 Å²	66.2	40%	0.402	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-83.3	-3.5	174.8	0	0	0	0	0	114.7	S632 T633	S632-G635 PolarHBondContact O-N 2.79Å; T633-G635 PolarHBondContact O-N 2.78Å
636	I	85	Confident	77.9	Confident	19 Å²	19	65.4 Å²	65.4	10%	0.097	34%	0.338	C	S	.	.			trans	-77.7	125	179.7	-66.1	177.6	0	0	0	109.9	D626 T633 M634 F638 R647	D626-I636 HydrophobicContact CB-CD1 4.2Å; T633-I636 HydrophobicContact CG2-CD1 3.76Å; T633-I636 WeakPolarHBondContact O-CB 3.17Å; T633-I636 WeakPolarHBondContact O-CG1 3.49Å; T633-I636 PolarHBondContact O-N 2.97Å; T633-I636 VanDerWaalsContact O-N 3.09Å; M634-I636 VanDerWaalsContact C-N 3.32Å; I636-F638 HydrophobicContact CB-CE2 4.15Å; I636-F638 HydrophobicContact CB-CZ 4.07Å; I636-F638 HydrophobicContact CG2-CD1 4.09Å; I636-F638 HydrophobicContact CG2-CD2 4.34Å; I636-F638 HydrophobicContact CG2-CE1 3.73Å; I636-F638 HydrophobicContact CG2-CE2 3.97Å; I636-F638 HydrophobicContact CG2-CG 4.39Å; I636-F638 HydrophobicContact CG2-CZ 3.67Å; I636-F638 PolarHBondContact O-N 3.28Å; I636-R647 VanDerWaalsContact CG2-NE 3.25Å
637	R	87.9	Confident	77.9	Confident	138 Å²	138	65.4 Å²	65.4	52%	0.521	34%	0.337	S	S	.	.			trans	-94	95.6	176.9	-57.9	179.6	-62.2	167.4	-4.9	111.5	Q640 D642	R637-Q640 HydrophobicContact CB-CG 3.84Å; R637-Q640 WeakPolarHBondContact O-CG 3.34Å; R637-D642 HydrophobicContact CB-CB 4.1Å; R637-D642 IonicContact CZ-OD1 3.33Å; R637-D642 PolarHBondContact N-OD2 3.49Å; R637-D642 VanDerWaalsContact N-OD2 3.1Å; R637-D642 IonicContact NE-OD1 2.96Å; R637-D642 PolarHBondContact NE-OD1 2.87Å; R637-D642 IonicContact NH2-OD1 2.88Å; R637-D642 PolarHBondContact NH2-OD1 3.31Å
638	F	87.9	Confident	78	Confident	24 Å²	24	67.6 Å²	67.6	11%	0.105	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	162.8	176.7	-65.7	-69.7	0	0	0	113.1	I636 Q640 Y660 V662 G665 P667 W685	I636-F638 HydrophobicContact CB-CE2 4.15Å; I636-F638 HydrophobicContact CB-CZ 4.07Å; I636-F638 HydrophobicContact CG2-CD1 4.09Å; I636-F638 HydrophobicContact CG2-CD2 4.34Å; I636-F638 HydrophobicContact CG2-CE1 3.73Å; I636-F638 HydrophobicContact CG2-CE2 3.97Å; I636-F638 HydrophobicContact CG2-CG 4.39Å; I636-F638 HydrophobicContact CG2-CZ 3.67Å; I636-F638 PolarHBondContact O-N 3.28Å; F638-Q640 PolarHBondContact O-N 3.25Å; F638-Y660 WeakPolarHBondContact CA-OH 3.32Å; F638-Y660 HydrophobicContact CB-CE2 3.68Å; F638-Y660 WeakPolarHBondContact CB-OH 3.31Å; F638-Y660 AromaticContact CD1-CE2 3.86Å; F638-Y660 HydrophobicContact CD1-CE2 3.86Å; F638-Y660 WeakPolarHBondContact CD1-OH 3.43Å; F638-Y660 HydrophobicContact CG-CE2 4.02Å; F638-V662 HydrophobicContact CB-CG2 3.63Å; F638-V662 HydrophobicContact CD2-CG1 3.81Å; F638-V662 HydrophobicContact CD2-CG2 4.04Å; F638-V662 HydrophobicContact CE2-CG1 4.28Å; F638-V662 HydrophobicContact CG-CG2 3.95Å; F638-G665 WeakPolarHBondContact CE2-O 3.42Å; F638-P667 HydrophobicContact CD1-CB 4.22Å; F638-P667 HydrophobicContact CD1-CG 4.28Å; F638-P667 HydrophobicContact CE1-CB 4.26Å; F638-P667 HydrophobicContact CE1-CG 3.82Å; F638-P667 HydrophobicContact CZ-CG 4.36Å; F638-W685 HydrophobicContact CE1-CB 3.95Å; F638-W685 HydrophobicContact CZ-CB 4.28Å
639	N	86.7	Confident	77.9	Confident	34 Å²	34	66.2 Å²	66.2	18%	0.182	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	15.2	-178.9	-69.9	-60.3	0	0	0	115.7	R648 Y659 Y660	N639-R648 VanDerWaalsContact C-CG 3.48Å; N639-R648 VanDerWaalsContact O-CG 3.28Å; N639-R648 WeakPolarHBondContact O-CG 3.49Å; N639-Y659 HydrophobicContact CB-CD1 3.78Å; N639-Y659 HydrophobicContact CB-CE1 4.27Å; N639-Y659 WeakPolarHBondContact OD1-CA 3.35Å; N639-Y660 PolarHBondContact N-OH 3.16Å; N639-Y660 PolarHBondContact ND2-O 3.16Å; N639-Y660 WeakPolarHBondContact OD1-CD1 3.27Å; N639-Y660 VanDerWaalsContact OD1-CE1 3.23Å; N639-Y660 WeakPolarHBondContact OD1-CE1 3.49Å; N639-Y660 PolarHBondContact OD1-N 3.45Å
640	Q	88	Confident	78.2	Confident	80 Å²	80	63.2 Å²	63.2	37%	0.374	31%	0.314	S	S	.	.	S	Bend	trans	-147.1	176.6	176.6	63.4	-175.4	27.5	0	0	112.2	R637 F638 R647	R637-Q640 HydrophobicContact CB-CG 3.84Å; R637-Q640 WeakPolarHBondContact O-CG 3.34Å; F638-Q640 PolarHBondContact O-N 3.25Å; Q640-R647 WeakPolarHBondContact O-CB 3.47Å; Q640-R647 PolarHBondContact O-N 3.07Å; Q640-R647 VanDerWaalsContact O-N 3.1Å
641	K	87.4	Confident	78.3	Confident	102 Å²	102	66 Å²	66	44%	0.443	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	121.6	170	-66.4	-173.9	-178.6	-175.7	0	108.3	I645 D646 S729	K641-I645 CarbonylContact C-O 3.56Å; K641-I645 WeakPolarHBondContact CA-O 3.43Å; K641-D646 WeakPolarHBondContact CE-OD2 3.4Å; K641-D646 HydrophobicContact CG-CB 4.34Å; K641-S729 PolarHBondContact NZ-OG 2.9Å
642	D	87.1	Confident	78.5	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.016	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	124.3	-178.6	-169.9	41.9	0	0	0	111	R637 G644 I645	R637-D642 HydrophobicContact CB-CB 4.1Å; R637-D642 IonicContact CZ-OD1 3.33Å; R637-D642 PolarHBondContact N-OD2 3.49Å; R637-D642 VanDerWaalsContact N-OD2 3.1Å; R637-D642 IonicContact NE-OD1 2.96Å; R637-D642 PolarHBondContact NE-OD1 2.87Å; R637-D642 IonicContact NH2-OD1 2.88Å; R637-D642 PolarHBondContact NH2-OD1 3.31Å; D642-G644 PolarHBondContact O-N 3.05Å; D642-I645 PolarHBondContact N-O 3.23Å; D642-I645 WeakPolarHBondContact O-CA 3.26Å; D642-I645 WeakPolarHBondContact O-CB 3.04Å; D642-I645 PolarHBondContact O-N 2.61Å
643	R	84.3	Confident	78	Confident	214 Å²	214	67 Å²	67	81%	0.808	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	33.9	179.5	-54.9	-179.1	-176.9	-144.3	-0.3	114.3
644	G	83.5	Confident	77.6	Confident	33 Å²	33	71.9 Å²	71.9	34%	0.34	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	1.9	-178.7	0	0	0	0	0	115.2	D642 K727	D642-G644 PolarHBondContact O-N 3.05Å; G644-K727 VanDerWaalsContact O-CE 3.27Å; G644-K727 WeakPolarHBondContact O-CE 3.43Å; G644-K727 WeakPolarHBondContact O-CG 3.19Å
645	I	87.2	Confident	76.9	Confident	25 Å²	25	66.9 Å²	66.9	13%	0.128	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127	173.9	-55.7	168.9	0	0	0	108.5	K641 D642 R647 D726	K641-I645 CarbonylContact C-O 3.56Å; K641-I645 WeakPolarHBondContact CA-O 3.43Å; D642-I645 PolarHBondContact N-O 3.23Å; D642-I645 WeakPolarHBondContact O-CA 3.26Å; D642-I645 WeakPolarHBondContact O-CB 3.04Å; D642-I645 PolarHBondContact O-N 2.61Å; I645-R647 HydrophobicContact CB-CG 4.5Å; I645-R647 HydrophobicContact CG2-CG 3.98Å; I645-R647 PolarHBondContact O-N 3.11Å; I645-D726 HydrophobicContact CB-CB 4.42Å; I645-D726 HydrophobicContact CG1-CB 4.1Å; I645-D726 HydrophobicContact CG2-CB 4.41Å
646	D	86.4	Confident	75.8	Confident	10 Å²	10	69 Å²	69	5%	0.053	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	103.5	172.5	-155.3	-20.5	0	0	0	108.7	K641 R648 H689 D726	K641-D646 WeakPolarHBondContact CE-OD2 3.4Å; K641-D646 HydrophobicContact CG-CB 4.34Å; D646-R648 VanDerWaalsContact C-N 3.31Å; D646-R648 WeakPolarHBondContact OD1-CB 3.38Å; D646-R648 IonicContact OD1-CZ 3Å; D646-R648 PolarHBondContact OD1-N 2.87Å; D646-R648 IonicContact OD1-NE 2.82Å; D646-R648 PolarHBondContact OD1-NE 2.73Å; D646-R648 IonicContact OD1-NH2 2.99Å; D646-R648 PolarHBondContact OD1-NH2 3.39Å; D646-R648 IonicContact OD2-CZ 3.4Å; D646-R648 IonicContact OD2-NE 3.34Å; D646-R648 IonicContact OD2-NH2 2.88Å; D646-R648 PolarHBondContact OD2-NH2 2.85Å; D646-H689 PolarHBondContact O-CD2 3.46Å; D646-H689 PolarHBondContact O-NE2 3.01Å; D646-D726 WeakPolarHBondContact CB-O 3.48Å; D646-D726 PolarHBondContact N-O 3.39Å
647	R	87.1	Confident	74.6	Confident	9 Å²	9	73.6 Å²	73.6	3%	0.034	35%	0.346	C	S	.	.			trans	-96	14	179.8	-56.7	179.9	173.9	-82.7	1	112	D626 I636 Q640 I645 Y660	D626-R647 VanDerWaalsContact CG-NH2 3.31Å; D626-R647 IonicContact OD1-CZ 3.49Å; D626-R647 IonicContact OD1-NH1 2.77Å; D626-R647 IonicContact OD1-NH2 3.36Å; D626-R647 PolarHBondContact OD1-NH2 3.49Å; D626-R647 IonicContact OD2-CZ 3.66Å; D626-R647 IonicContact OD2-NH1 3.71Å; D626-R647 PolarHBondContact OD2-NH1 3.43Å; D626-R647 IonicContact OD2-NH2 2.76Å; D626-R647 PolarHBondContact OD2-NH2 2.81Å; I636-R647 VanDerWaalsContact CG2-NE 3.25Å; Q640-R647 WeakPolarHBondContact O-CB 3.47Å; Q640-R647 PolarHBondContact O-N 3.07Å; Q640-R647 VanDerWaalsContact O-N 3.1Å; I645-R647 HydrophobicContact CB-CG 4.5Å; I645-R647 HydrophobicContact CG2-CG 3.98Å; I645-R647 PolarHBondContact O-N 3.11Å; R647-Y660 WeakPolarHBondContact O-CE1 3.46Å; R647-Y660 PolarHBondContact O-OH 2.89Å
648	R	84.3	Confident	73.6	Confident	101 Å²	101	68.1 Å²	68.1	38%	0.381	33%	0.331	S	S	.	.	S	Bend	trans	-86.2	151.2	178.6	-64.5	175.4	-61.8	160	17.5	109.4	N639 D646 H689	N639-R648 VanDerWaalsContact C-CG 3.48Å; N639-R648 VanDerWaalsContact O-CG 3.28Å; N639-R648 WeakPolarHBondContact O-CG 3.49Å; D646-R648 VanDerWaalsContact C-N 3.31Å; D646-R648 WeakPolarHBondContact OD1-CB 3.38Å; D646-R648 IonicContact OD1-CZ 3Å; D646-R648 PolarHBondContact OD1-N 2.87Å; D646-R648 IonicContact OD1-NE 2.82Å; D646-R648 PolarHBondContact OD1-NE 2.73Å; D646-R648 IonicContact OD1-NH2 2.99Å; D646-R648 PolarHBondContact OD1-NH2 3.39Å; D646-R648 IonicContact OD2-CZ 3.4Å; D646-R648 IonicContact OD2-NE 3.34Å; D646-R648 IonicContact OD2-NH2 2.88Å; D646-R648 PolarHBondContact OD2-NH2 2.85Å; R648-H689 PolarHBondContact O-CE1 2.92Å; R648-H689 PolarHBondContact O-NE2 3.18Å; R648-H689 VanDerWaalsContact O-NE2 3.15Å
649	M	77.4	Confident	73.3	Confident	29 Å²	29	73.9 Å²	73.9	14%	0.143	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-63.8	147	164.5	-63.2	178.2	74.5	0	0	109.5	R651 A658 Y660 P670 P687	M649-R651 PolarHBondContact O-N 3.3Å; M649-A658 HydrophobicContact CB-CB 4.11Å; M649-A658 HydrophobicContact CE-CB 4.13Å; M649-A658 HydrophobicContact SD-CB 3.73Å; M649-Y660 HydrophobicContact CG-CD1 3.88Å; M649-Y660 HydrophobicContact CG-CE1 4.43Å; M649-Y660 HydrophobicContact SD-CD1 4.18Å; M649-P670 HydrophobicContact CE-CB 4.29Å; M649-P670 HydrophobicContact CE-CG 3.84Å; M649-P670 HydrophobicContact SD-CG 3.8Å; M649-P687 HydrophobicContact CG-CG 3.79Å
650	V	70.7	Confident	73.1	Confident	19 Å²	19	72.7 Å²	72.7	12%	0.115	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-60.5	139.6	172.8	-175.6	0	0	0	0	108.3	R652 H689 L728 Y769 L771	V650-R652 PolarHBondContact O-N 3.44Å; V650-H689 VanDerWaalsContact CG2-CE1 3.49Å; V650-H689 WeakPolarHBondContact CG2-CE1 3.31Å; V650-H689 WeakPolarHBondContact CG2-ND1 3.45Å; V650-L728 HydrophobicContact CG1-CD2 4.28Å; V650-L728 HydrophobicContact CG2-CD2 3.78Å; V650-Y769 HydrophobicContact CG1-CD1 3.47Å; V650-Y769 VanDerWaalsContact CG1-CD1 3.47Å; V650-Y769 HydrophobicContact CG1-CE1 4.3Å; V650-Y769 HydrophobicContact CG1-CG 3.69Å; V650-L771 HydrophobicContact CB-CD2 3.75Å; V650-L771 HydrophobicContact CB-CG 4.33Å
651	R	63	Low	73	Confident	145 Å²	145	74.5 Å²	74.5	55%	0.547	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-64	129.4	-179	-154.6	175.7	-169.9	125.2	0.8	109.1	M649 G655	M649-R651 PolarHBondContact O-N 3.3Å; R651-G655 PolarHBondContact NE-O 3.06Å; R651-G655 PolarHBondContact NH2-O 2.94Å
652	R	56.3	Low	73	Confident	56 Å²	56	72.5 Å²	72.5	21%	0.211	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-64.3	157.7	173.7	-60.9	-132.4	-178.6	-164	-1.5	110	V650 N654 G655 L771 E775	V650-R652 PolarHBondContact O-N 3.44Å; R652-N654 WeakPolarHBondContact CB-OD1 3.44Å; R652-N654 PolarHBondContact O-N 2.92Å; R652-G655 PolarHBondContact O-N 2.86Å; R652-L771 HydrophobicContact CB-CD1 4.05Å; R652-L771 HydrophobicContact CG-CD1 3.54Å; R652-E775 IonicContact CZ-OE1 2.85Å; R652-E775 VanDerWaalsContact NH1-CD 3.34Å; R652-E775 IonicContact NH1-OE1 3.98Å; R652-E775 PolarHBondContact NH1-OE1 2.83Å
653	L	47.3	Very low	72.9	Confident	189 Å²	189	74.7 Å²	74.7	99%	0.99	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-31.5	-179.3	-164.5	74.2	0	0	0	112.3	G655	L653-G655 PolarHBondContact O-N 3.17Å; L653-G655 VanDerWaalsContact O-N 3.14Å
654	N	49	Very low	72.7	Confident	105 Å²	105	71.9 Å²	71.9	56%	0.561	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	1.7	174.9	63.6	8.5	0	0	0	114	R652 V656	R652-N654 WeakPolarHBondContact CB-OD1 3.44Å; R652-N654 PolarHBondContact O-N 2.92Å; N654-V656 HydrophobicContact CB-CG2 4.37Å; N654-V656 PolarHBondContact O-N 3.2Å; N654-V656 VanDerWaalsContact OD1-CB 3.3Å; N654-V656 WeakPolarHBondContact OD1-CB 3.18Å; N654-V656 WeakPolarHBondContact OD1-CG2 3.4Å; N654-V656 PolarHBondContact OD1-N 3.24Å
655	G	50.2	Low	72.6	Confident	31 Å²	31	71.8 Å²	71.8	32%	0.32	37%	0.367	S	S	.	.			trans	73.2	2.8	179.9	0	0	0	0	0	114.1	R651 R652 L653 K657	R651-G655 PolarHBondContact NE-O 3.06Å; R651-G655 PolarHBondContact NH2-O 2.94Å; R652-G655 PolarHBondContact O-N 2.86Å; L653-G655 PolarHBondContact O-N 3.17Å; L653-G655 VanDerWaalsContact O-N 3.14Å; G655-K657 PolarHBondContact O-N 3.02Å
656	V	55.1	Low	72.5	Confident	83 Å²	83	72.5 Å²	72.5	50%	0.503	37%	0.37	S	S	.	.			trans	-71.6	126.9	176.5	-178.7	0	0	0	0	108.6	N654 A658	N654-V656 HydrophobicContact CB-CG2 4.37Å; N654-V656 PolarHBondContact O-N 3.2Å; N654-V656 VanDerWaalsContact OD1-CB 3.3Å; N654-V656 WeakPolarHBondContact OD1-CB 3.18Å; N654-V656 WeakPolarHBondContact OD1-CG2 3.4Å; N654-V656 PolarHBondContact OD1-N 3.24Å; V656-A658 PolarHBondContact O-N 3.45Å
657	K	60.5	Low	72.6	Confident	115 Å²	115	73.1 Å²	73.1	50%	0.5	38%	0.375	S	S	.	.			trans	-73.9	111	169.5	-70.7	-179.1	-175.9	172.7	0	107.1	G655 Y659	G655-K657 PolarHBondContact O-N 3.02Å; K657-Y659 HydrophobicContact CB-CD2 4.28Å; K657-Y659 HydrophobicContact CB-CE2 3.57Å; K657-Y659 HydrophobicContact CD-CE2 4.32Å; K657-Y659 WeakPolarHBondContact CD-OH 3.31Å; K657-Y659 WeakPolarHBondContact O-CD2 3.43Å
658	A	67	Low	72.5	Confident	24 Å²	24	74.3 Å²	74.3	20%	0.198	38%	0.382	C	S	.	.			trans	-81.3	127.9	170.9	0	0	0	0	0	108.8	M649 V656	M649-A658 HydrophobicContact CB-CB 4.11Å; M649-A658 HydrophobicContact CE-CB 4.13Å; M649-A658 HydrophobicContact SD-CB 3.73Å; V656-A658 PolarHBondContact O-N 3.45Å
659	Y	80.3	Confident	72.6	Confident	144 Å²	144	70.2 Å²	70.2	57%	0.565	37%	0.367	S	S	*	.			trans	-110.8	144.6	172.4	-67.2	-88.5	0	0	0	107.7	N639 K657	N639-Y659 HydrophobicContact CB-CD1 3.78Å; N639-Y659 HydrophobicContact CB-CE1 4.27Å; N639-Y659 WeakPolarHBondContact OD1-CA 3.35Å; K657-Y659 HydrophobicContact CB-CD2 4.28Å; K657-Y659 HydrophobicContact CB-CE2 3.57Å; K657-Y659 HydrophobicContact CD-CE2 4.32Å; K657-Y659 WeakPolarHBondContact CD-OH 3.31Å; K657-Y659 WeakPolarHBondContact O-CD2 3.43Å
660	Y	83.9	Confident	72.5	Confident	9 Å²	9	72.2 Å²	72.2	4%	0.035	38%	0.382	C	S	.	.			trans	-104.2	148.1	169.3	54	-90.3	0	0	0	109.3	F638 N639 R647 M649 V662 P667 P687	F638-Y660 WeakPolarHBondContact CA-OH 3.32Å; F638-Y660 HydrophobicContact CB-CE2 3.68Å; F638-Y660 WeakPolarHBondContact CB-OH 3.31Å; F638-Y660 AromaticContact CD1-CE2 3.86Å; F638-Y660 HydrophobicContact CD1-CE2 3.86Å; F638-Y660 WeakPolarHBondContact CD1-OH 3.43Å; F638-Y660 HydrophobicContact CG-CE2 4.02Å; N639-Y660 PolarHBondContact N-OH 3.16Å; N639-Y660 PolarHBondContact ND2-O 3.16Å; N639-Y660 WeakPolarHBondContact OD1-CD1 3.27Å; N639-Y660 VanDerWaalsContact OD1-CE1 3.23Å; N639-Y660 WeakPolarHBondContact OD1-CE1 3.49Å; N639-Y660 PolarHBondContact OD1-N 3.45Å; R647-Y660 WeakPolarHBondContact O-CE1 3.46Å; R647-Y660 PolarHBondContact O-OH 2.89Å; M649-Y660 HydrophobicContact CG-CD1 3.88Å; M649-Y660 HydrophobicContact CG-CE1 4.43Å; M649-Y660 HydrophobicContact SD-CD1 4.18Å; Y660-V662 HydrophobicContact CD2-CG2 4.08Å; Y660-V662 HydrophobicContact CE2-CG2 3.95Å; Y660-P667 HydrophobicContact CD2-CB 3.53Å; Y660-P667 HydrophobicContact CE2-CB 3.41Å; Y660-P667 VanDerWaalsContact CE2-CB 3.41Å; Y660-P687 HydrophobicContact CD1-CG 3.81Å; Y660-P687 HydrophobicContact CE1-CG 3.41Å; Y660-P687 VanDerWaalsContact CE1-CG 3.41Å
661	E	85.7	Confident	72.6	Confident	119 Å²	119	72.8 Å²	72.8	56%	0.556	39%	0.385	S	S	*	.			trans	-74.1	149.4	176.3	-169.7	166.2	-167.9	0	0	110.3	L668	E661-L668 HydrophobicContact CB-CB 4.42Å; E661-L668 HydrophobicContact CB-CD1 4.2Å; E661-L668 HydrophobicContact CG-CD1 4.15Å; E661-L668 PolarHBondContact O-N 3.26Å
662	V	86.2	Confident	73.6	Confident	59 Å²	59	65.9 Å²	65.9	36%	0.358	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	117.2	178.3	-179.1	0	0	0	0	107	F638 Y660 L666	F638-V662 HydrophobicContact CB-CG2 3.63Å; F638-V662 HydrophobicContact CD2-CG1 3.81Å; F638-V662 HydrophobicContact CD2-CG2 4.04Å; F638-V662 HydrophobicContact CE2-CG1 4.28Å; F638-V662 HydrophobicContact CG-CG2 3.95Å; Y660-V662 HydrophobicContact CD2-CG2 4.08Å; Y660-V662 HydrophobicContact CE2-CG2 3.95Å; V662-L666 CarbonylContact C-O 3.6Å; V662-L666 VanDerWaalsContact CA-O 3.27Å; V662-L666 WeakPolarHBondContact CA-O 3.37Å; V662-L666 WeakPolarHBondContact CG1-O 3.45Å
663	S	85.1	Confident	74.9	Confident	50 Å²	50	64.1 Å²	64.1	35%	0.35	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	135.5	177	-171.2	0	0	0	0	109	G665 L666	S663-G665 PolarHBondContact O-N 3.45Å; S663-G665 VanDerWaalsContact O-N 3.1Å; S663-L666 PolarHBondContact N-O 3.44Å; S663-L666 PolarHBondContact O-N 2.98Å; S663-L666 VanDerWaalsContact O-O 3.06Å
664	D	80.8	Confident	76.5	Confident	155 Å²	155	55.9 Å²	55.9	83%	0.829	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	35.8	179	-52.2	-52.5	0	0	0	113.8	L666	D664-L666 VanDerWaalsContact C-N 3.25Å; D664-L666 PolarHBondContact O-N 3.26Å
665	G	81.5	Confident	78.2	Confident	31 Å²	31	50.9 Å²	50.9	32%	0.32	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	11	-178.2	0	0	0	0	0	114.7	F638 S663	F638-G665 WeakPolarHBondContact CE2-O 3.42Å; S663-G665 PolarHBondContact O-N 3.45Å; S663-G665 VanDerWaalsContact O-N 3.1Å
666	L	85.1	Confident	79.9	Confident	40 Å²	40	49.8 Å²	49.8	21%	0.209	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145	178.9	-65.8	175.7	0	0	0	112.3	V629 T633 V662 S663 D664 L668 W685	V629-L666 HydrophobicContact CG2-CD1 3.96Å; V629-L666 HydrophobicContact CG2-CD2 4.08Å; T633-L666 HydrophobicContact CG2-CD2 4.46Å; V662-L666 CarbonylContact C-O 3.6Å; V662-L666 VanDerWaalsContact CA-O 3.27Å; V662-L666 WeakPolarHBondContact CA-O 3.37Å; V662-L666 WeakPolarHBondContact CG1-O 3.45Å; S663-L666 PolarHBondContact N-O 3.44Å; S663-L666 PolarHBondContact O-N 2.98Å; S663-L666 VanDerWaalsContact O-O 3.06Å; D664-L666 VanDerWaalsContact C-N 3.25Å; D664-L666 PolarHBondContact O-N 3.26Å; L666-L668 PolarHBondContact O-N 3.43Å; L666-W685 HydrophobicContact CD2-CD2 4.03Å; L666-W685 HydrophobicContact CD2-CE3 3.97Å; L666-W685 HydrophobicContact CD2-CH2 4.21Å; L666-W685 HydrophobicContact CD2-CZ2 4.3Å; L666-W685 HydrophobicContact CD2-CZ3 4.05Å
667	P	87.8	Confident	81.3	Confident	23 Å²	23	47.3 Å²	47.3	15%	0.149	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	127.9	179.6	29.9	-32.4	0	0	0	110.8	F638 Y660 W685 G686	F638-P667 HydrophobicContact CD1-CB 4.22Å; F638-P667 HydrophobicContact CD1-CG 4.28Å; F638-P667 HydrophobicContact CE1-CB 4.26Å; F638-P667 HydrophobicContact CE1-CG 3.82Å; F638-P667 HydrophobicContact CZ-CG 4.36Å; Y660-P667 HydrophobicContact CD2-CB 3.53Å; Y660-P667 HydrophobicContact CE2-CB 3.41Å; Y660-P667 VanDerWaalsContact CE2-CB 3.41Å; P667-W685 HydrophobicContact CG-CB 4.04Å; P667-G686 VanDerWaalsContact CG-N 3.31Å
668	L	85.7	Confident	82.4	Confident	33 Å²	33	42.5 Å²	42.5	17%	0.173	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-80.2	145.2	170.8	-63.8	-174.6	0	0	0	110.5	W604 E661 L666 P670	W604-L668 HydrophobicContact CD2-CD1 4.07Å; W604-L668 HydrophobicContact CE3-CD1 4.39Å; W604-L668 HydrophobicContact CG-CD1 4.19Å; W604-L668 HydrophobicContact CH2-CD2 4.09Å; W604-L668 HydrophobicContact CZ2-CB 4.39Å; W604-L668 HydrophobicContact CZ2-CD2 4.08Å; W604-L668 HydrophobicContact CZ3-CD2 4.33Å; E661-L668 HydrophobicContact CB-CB 4.42Å; E661-L668 HydrophobicContact CB-CD1 4.2Å; E661-L668 HydrophobicContact CG-CD1 4.15Å; E661-L668 PolarHBondContact O-N 3.26Å; L666-L668 PolarHBondContact O-N 3.43Å; L668-P670 VanDerWaalsContact O-CD 3.29Å; L668-P670 WeakPolarHBondContact O-CD 3.2Å
669	N	85.4	Confident	83.2	Confident	15 Å²	15	42 Å²	42	8%	0.08	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-64.7	120.5	173.1	174.2	15.2	0	0	0	109.9	G305 W604 L671 G672 T674	G305-N669 VanDerWaalsContact C-CG 3.43Å; G305-N669 VanDerWaalsContact CA-OD1 3.26Å; G305-N669 WeakPolarHBondContact CA-OD1 3.27Å; G305-N669 VanDerWaalsContact O-CB 3.28Å; G305-N669 WeakPolarHBondContact O-CB 3.24Å; G305-N669 PolarHBondContact O-OD1 3.35Å; W604-N669 PolarHBondContact NE1-O 3.38Å; N669-L671 PolarHBondContact O-N 2.88Å; N669-L671 PolarHBondContact OD1-N 2.99Å; N669-G672 WeakPolarHBondContact CB-O 3.45Å; N669-G672 PolarHBondContact ND2-O 3.38Å; N669-G672 PolarHBondContact O-N 3.07Å; N669-T674 WeakPolarHBondContact ND2-CG2 3.5Å
670	P	77	Confident	83.3	Confident	71 Å²	71	35.1 Å²	35.1	46%	0.461	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-23.5	177.8	-27.4	37.2	0	0	0	115	M649 L668 G672	M649-P670 HydrophobicContact CE-CB 4.29Å; M649-P670 HydrophobicContact CE-CG 3.84Å; M649-P670 HydrophobicContact SD-CG 3.8Å; L668-P670 VanDerWaalsContact O-CD 3.29Å; L668-P670 WeakPolarHBondContact O-CD 3.2Å; P670-G672 VanDerWaalsContact C-N 3.35Å
671	L	71.6	Confident	82.9	Confident	31 Å²	31	37 Å²	37	16%	0.162	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-2.7	-179.8	-60.5	179.5	0	0	0	113.7	P301 V602 N669 A773	P301-L671 WeakPolarHBondContact O-CD1 3.42Å; V602-L671 WeakPolarHBondContact CG1-O 3.46Å; N669-L671 PolarHBondContact O-N 2.88Å; N669-L671 PolarHBondContact OD1-N 2.99Å; L671-A773 HydrophobicContact CD2-CB 4.5Å
672	G	83.3	Confident	82.8	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.01	19%	0.194	C	C	.	.			trans	104.5	-169.3	-179	0	0	0	0	0	114.5	V602 N669 P670	V602-G672 CarbonylContact O-C 3.51Å; V602-G672 WeakPolarHBondContact O-CA 3.08Å; N669-G672 WeakPolarHBondContact CB-O 3.45Å; N669-G672 PolarHBondContact ND2-O 3.38Å; N669-G672 PolarHBondContact O-N 3.07Å; P670-G672 VanDerWaalsContact C-N 3.35Å
673	R	84.9	Confident	82.6	Confident	18 Å²	18	29.9 Å²	29.9	7%	0.068	18%	0.178	C	C	.	.			trans	-64.2	141.6	179.8	-66.8	179.4	-175.9	84.4	5.1	110.6	V597 L601 V602 P603 W604 K606 Y611	V597-R673 HydrophobicContact CG1-CB 3.89Å; V597-R673 HydrophobicContact CG2-CB 4.12Å; L601-R673 WeakPolarHBondContact O-CD 3.49Å; L601-R673 PolarHBondContact O-NH1 3.3Å; V602-R673 PolarHBondContact O-N 3.28Å; P603-R673 PolarHBondContact O-NH1 3.11Å; W604-R673 HydrophobicContact CD2-CG 4.21Å; W604-R673 HydrophobicContact CE3-CG 3.74Å; W604-R673 HydrophobicContact CH2-CB 4.47Å; W604-R673 HydrophobicContact CH2-CG 3.67Å; W604-R673 HydrophobicContact CZ2-CG 4.12Å; W604-R673 HydrophobicContact CZ3-CG 3.47Å; W604-R673 VanDerWaalsContact CZ3-CG 3.47Å; W604-R673 PolarHBondContact O-NH2 2.9Å; K606-R673 PolarHBondContact O-NH1 3.43Å; K606-R673 PolarHBondContact O-NH2 2.95Å; Y611-R673 HydrophobicContact CD1-CG 4.1Å; Y611-R673 HydrophobicContact CE1-CB 4.11Å; Y611-R673 HydrophobicContact CE1-CG 3.7Å; Y611-R673 HydrophobicContact CE2-CB 4.08Å; Y611-R673 HydrophobicContact CE2-CG 4.37Å
674	T	81.2	Confident	82.6	Confident	16 Å²	16	28.6 Å²	28.6	10%	0.098	17%	0.166	C	C	.	.			trans	-125.7	1.6	-175.6	62	0	0	0	0	114	Q302 R594 Y611 N669 I676	Q302-T674 VanDerWaalsContact O-CG2 3.26Å; Q302-T674 WeakPolarHBondContact O-CG2 3.47Å; R594-T674 PolarHBondContact NH1-O 3.42Å; Y611-T674 PolarHBondContact OH-N 3.37Å; N669-T674 WeakPolarHBondContact ND2-CG2 3.5Å; T674-I676 VanDerWaalsContact C-N 3.3Å; T674-I676 PolarHBondContact O-N 2.9Å; T674-I676 PolarHBondContact OG1-O 3.09Å
675	G	84.7	Confident	82.8	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	81.3	0.9	-177.4	0	0	0	0	0	115.1	R594 T595 Y611 P614	R594-G675 CarbonylContact C-O 3.57Å; R594-G675 VanDerWaalsContact CA-O 3.31Å; R594-G675 WeakPolarHBondContact CA-O 3.37Å; T595-G675 PolarHBondContact N-O 2.69Å; T595-G675 WeakPolarHBondContact O-CA 3.35Å; Y611-G675 PolarHBondContact OH-N 3.12Å; P614-G675 WeakPolarHBondContact CD-O 3.32Å
676	I	84.7	Confident	83	Confident	9 Å²	9	21.9 Å²	21.9	5%	0.046	13%	0.129	C	C	.	.			trans	-144	150.5	-179.1	-164.4	167.2	0	0	0	110.9	C307 R594 P614 W616 T674	C307-I676 HydrophobicContact CB-CD1 4.42Å; C307-I676 HydrophobicContact CB-CG1 4.24Å; C307-I676 HydrophobicContact CB-CG2 3.79Å; R594-I676 HydrophobicContact CG-CB 4.23Å; P614-I676 WeakPolarHBondContact O-CG1 3.29Å; W616-I676 HydrophobicContact CB-CD1 3.76Å; W616-I676 HydrophobicContact CB-CG1 4.12Å; W616-I676 HydrophobicContact CG-CD1 4.3Å; T674-I676 VanDerWaalsContact C-N 3.3Å; T674-I676 PolarHBondContact O-N 2.9Å; T674-I676 PolarHBondContact OG1-O 3.09Å
677	A	84.8	Confident	82.7	Confident	31 Å²	31	21.4 Å²	21.4	26%	0.256	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	159.7	177.1	0	0	0	0	0	111.5	C307 P613 P614 Y615 W616	C307-A677 WeakPolarHBondContact SG-CA 3.49Å; C307-A677 PolarHBondContact SG-O 3.41Å; P613-A677 HydrophobicContact CB-CB 4.28Å; P613-A677 HydrophobicContact CG-CB 3.93Å; P614-A677 PolarHBondContact O-N 3.24Å; Y615-A677 CarbonylContact C-O 3.46Å; Y615-A677 WeakPolarHBondContact CA-O 3.45Å; Y615-A677 HydrophobicContact CD2-CB 4.43Å; W616-A677 PolarHBondContact N-O 3.38Å
678	G	84.2	Confident	82.3	Confident	13 Å²	13	21.9 Å²	21.9	13%	0.134	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	117.3	176.7	-178	0	0	0	0	0	115	C307 W685	C307-G678 VanDerWaalsContact SG-C 3.6Å; C307-G678 PolarHBondContact SG-N 2.95Å; C307-G678 PolarHBondContact SG-O 2.99Å; G678-W685 VanDerWaalsContact C-CH2 3.48Å; G678-W685 WeakPolarHBondContact O-CZ3 3.31Å
679	R	84.4	Confident	82	Confident	14 Å²	14	21.2 Å²	21.2	5%	0.053	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-25	176.1	-177.3	176.4	55.2	78.9	7.5	112	T617 V618 E628 L682 W685	T617-R679 PolarHBondContact OG1-NH2 3.35Å; V618-R679 PolarHBondContact O-NH2 3.03Å; E628-R679 IonicContact OE1-CZ 3.81Å; E628-R679 IonicContact OE1-NE 2.87Å; E628-R679 PolarHBondContact OE1-NE 3.45Å; E628-R679 IonicContact OE1-NH2 2.74Å; E628-R679 PolarHBondContact OE1-NH2 3.17Å; R679-L682 WeakPolarHBondContact CD-O 3.5Å; R679-L682 WeakPolarHBondContact CG-O 3.4Å; R679-L682 PolarHBondContact NH1-O 3.39Å; R679-L682 PolarHBondContact O-N 3.49Å; R679-W685 HydrophobicContact CB-CD2 4.06Å; R679-W685 HydrophobicContact CB-CE3 4.2Å; R679-W685 HydrophobicContact CB-CH2 3.98Å; R679-W685 HydrophobicContact CB-CZ2 3.79Å; R679-W685 HydrophobicContact CB-CZ3 4.18Å; R679-W685 HydrophobicContact CG-CD2 4.46Å; R679-W685 VanDerWaalsContact N-CH2 3.28Å
680	G	82	Confident	81.5	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	59.9	-139.1	-173.5	0	0	0	0	0	113.2	W616 V618 L682	W616-G680 VanDerWaalsContact CE3-CA 3.41Å; W616-G680 WeakPolarHBondContact O-CA 3.43Å; W616-G680 PolarHBondContact O-N 3.32Å; V618-G680 PolarHBondContact N-O 2.73Å; G680-L682 VanDerWaalsContact C-N 3.33Å
681	Y	75.7	Confident	81.4	Confident	48 Å²	48	22.2 Å²	22.2	19%	0.188	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-12.5	-179.7	-161.7	-91.9	0	0	0	113.3	L308 L313 V618 S621 F622	L308-Y681 PolarHBondContact O-N 3.17Å; L313-Y681 HydrophobicContact CD2-CD1 3.58Å; L313-Y681 HydrophobicContact CD2-CE1 4.33Å; L313-Y681 HydrophobicContact CD2-CG 4.38Å; V618-Y681 HydrophobicContact CB-CD2 4.35Å; V618-Y681 HydrophobicContact CG1-CD2 4.11Å; V618-Y681 HydrophobicContact CG1-CE2 4.41Å; V618-Y681 HydrophobicContact CG2-CD2 4.42Å; S621-Y681 PolarHBondContact OG-OH 3.23Å; F622-Y681 HydrophobicContact CE2-CD1 4.24Å; F622-Y681 HydrophobicContact CE2-CE1 4.04Å; F622-Y681 WeakPolarHBondContact CE2-O 3.36Å; F622-Y681 HydrophobicContact CZ-CD1 4.39Å; F622-Y681 HydrophobicContact CZ-CE1 4Å
682	L	82.5	Confident	81.6	Confident	24 Å²	24	23.4 Å²	23.4	13%	0.126	13%	0.134	C	C	.	.			trans	-74.9	145.7	-172.6	-65.3	176	0	0	0	111.8	L308 L313 R679 G680 R684 T688 F724	L308-L682 HydrophobicContact CD1-CD1 4.35Å; L313-L682 HydrophobicContact CD1-CD2 3.82Å; L313-L682 HydrophobicContact CD2-CD2 4.19Å; R679-L682 WeakPolarHBondContact CD-O 3.5Å; R679-L682 WeakPolarHBondContact CG-O 3.4Å; R679-L682 PolarHBondContact NH1-O 3.39Å; R679-L682 PolarHBondContact O-N 3.49Å; G680-L682 VanDerWaalsContact C-N 3.33Å; L682-R684 VanDerWaalsContact C-N 3.27Å; L682-R684 PolarHBondContact O-N 3.13Å; L682-T688 HydrophobicContact CD2-CG2 4.35Å; L682-F724 HydrophobicContact CD2-CE1 4.35Å; L682-F724 HydrophobicContact CD2-CZ 4.09Å
683	P	81.7	Confident	81.1	Confident	5 Å²	5	24.5 Å²	24.5	3%	0.032	14%	0.14	C	C	.	.	S	Bend	trans	-69.2	-22.1	179.8	25.1	-33.3	0	0	0	114.1	F622 C625 D626 T688 F724	F622-P683 HydrophobicContact CB-CB 4.16Å; F622-P683 HydrophobicContact CD2-CB 3.8Å; F622-P683 HydrophobicContact CD2-CG 4.21Å; F622-P683 HydrophobicContact CE2-CB 4.42Å; F622-P683 HydrophobicContact CE2-CG 4.41Å; F622-P683 HydrophobicContact CG-CB 3.93Å; F622-P683 HydrophobicContact CG-CG 4.31Å; C625-P683 CarbonylContact C-O 3.55Å; C625-P683 WeakPolarHBondContact CA-O 3.38Å; C625-P683 WeakPolarHBondContact CB-O 3.12Å; D626-P683 PolarHBondContact N-O 3.47Å; P683-T688 HydrophobicContact CG-CG2 3.94Å; P683-F724 HydrophobicContact CG-CB 4.38Å; P683-F724 HydrophobicContact CG-CD2 4.28Å; P683-F724 HydrophobicContact CG-CG 4.23Å
684	R	85.8	Confident	80.4	Confident	23 Å²	23	25.8 Å²	25.8	9%	0.087	15%	0.15	C	C	.	.	S	Bend	trans	-125.2	147.9	-171.2	-52.5	-61.3	178.7	-153.3	-5.8	111.8	Y624 D626 L682 D726	Y624-R684 PolarHBondContact O-NH1 3.06Å; Y624-R684 VanDerWaalsContact O-NH1 3.16Å; Y624-R684 PolarHBondContact O-NH2 3.23Å; D626-R684 WeakPolarHBondContact OD1-CD 2.98Å; D626-R684 IonicContact OD1-NH1 3.03Å; D626-R684 PolarHBondContact OD1-NH1 2.81Å; D626-R684 VanDerWaalsContact OD2-CA 3.29Å; D626-R684 WeakPolarHBondContact OD2-CA 3.45Å; L682-R684 VanDerWaalsContact C-N 3.27Å; L682-R684 PolarHBondContact O-N 3.13Å; R684-D726 IonicContact CZ-OD1 2.58Å; R684-D726 IonicContact NE-OD1 3.2Å; R684-D726 PolarHBondContact NE-OD1 3.46Å; R684-D726 VanDerWaalsContact NH2-CG 3.31Å; R684-D726 IonicContact NH2-OD1 3.52Å; R684-D726 PolarHBondContact NH2-OD1 3.38Å; R684-D726 IonicContact NH2-OD2 3.71Å; R684-D726 PolarHBondContact NH2-OD2 3.21Å
685	W	86	Confident	79.8	Confident	13 Å²	13	26.8 Å²	26.8	5%	0.049	16%	0.155	C	C	.	.	S	Bend	trans	-73.1	131.7	165.1	-71.9	104.6	0	0	0	110.1	Y615 D626 P627 V629 F638 L666 P667 G678 R679	Y615-W685 HydrophobicContact CE2-CH2 4.2Å; Y615-W685 WeakPolarHBondContact OH-CH2 3.12Å; D626-W685 PolarHBondContact OD2-N 3.25Å; P627-W685 PolarHBondContact O-NE1 2.95Å; V629-W685 HydrophobicContact CG2-CH2 4Å; V629-W685 HydrophobicContact CG2-CZ2 3.76Å; F638-W685 HydrophobicContact CE1-CB 3.95Å; F638-W685 HydrophobicContact CZ-CB 4.28Å; L666-W685 HydrophobicContact CD2-CD2 4.03Å; L666-W685 HydrophobicContact CD2-CE3 3.97Å; L666-W685 HydrophobicContact CD2-CH2 4.21Å; L666-W685 HydrophobicContact CD2-CZ2 4.3Å; L666-W685 HydrophobicContact CD2-CZ3 4.05Å; P667-W685 HydrophobicContact CG-CB 4.04Å; G678-W685 VanDerWaalsContact C-CH2 3.48Å; G678-W685 WeakPolarHBondContact O-CZ3 3.31Å; R679-W685 HydrophobicContact CB-CD2 4.06Å; R679-W685 HydrophobicContact CB-CE3 4.2Å; R679-W685 HydrophobicContact CB-CH2 3.98Å; R679-W685 HydrophobicContact CB-CZ2 3.79Å; R679-W685 HydrophobicContact CB-CZ3 4.18Å; R679-W685 HydrophobicContact CG-CD2 4.46Å; R679-W685 VanDerWaalsContact N-CH2 3.28Å
686	G	84	Confident	79	Confident	32 Å²	32	31.1 Å²	31.1	33%	0.33	18%	0.177	S	C	.	.	S	Bend	trans	78.8	-143.6	-180	0	0	0	0	0	112.1	P667 T688	P667-G686 VanDerWaalsContact CG-N 3.31Å; G686-T688 PolarHBondContact O-N 3.37Å
687	P	79.6	Confident	78.1	Confident	29 Å²	29	37.6 Å²	37.6	19%	0.188	20%	0.201	C	C	.	.			trans	-59	122.7	-176.3	-25	34.9	0	0	0	112.6	M649 Y660	M649-P687 HydrophobicContact CG-CG 3.79Å; Y660-P687 HydrophobicContact CD1-CG 3.81Å; Y660-P687 HydrophobicContact CE1-CG 3.41Å; Y660-P687 VanDerWaalsContact CE1-CG 3.41Å
688	T	80	Confident	77.1	Confident	34 Å²	34	43 Å²	43	21%	0.209	22%	0.219	C	C	.	.			trans	-112.9	122	172.3	-60.3	0	0	0	0	109	L682 P683 G686 F724	L682-T688 HydrophobicContact CD2-CG2 4.35Å; P683-T688 HydrophobicContact CG-CG2 3.94Å; G686-T688 PolarHBondContact O-N 3.37Å; T688-F724 HydrophobicContact CG2-CD1 3.34Å; T688-F724 HydrophobicContact CG2-CE1 3.51Å; T688-F724 HydrophobicContact CG2-CG 4.15Å; T688-F724 HydrophobicContact CG2-CZ 4.43Å
689	H	78.5	Confident	75.9	Confident	18 Å²	18	47.9 Å²	47.9	8%	0.083	23%	0.233	C	C	.	.			trans	-94.7	116.2	-176.4	-57.8	-50.8	0	0	0	111.8	D646 R648 V650 F724 V725 L728	D646-H689 PolarHBondContact O-CD2 3.46Å; D646-H689 PolarHBondContact O-NE2 3.01Å; R648-H689 PolarHBondContact O-CE1 2.92Å; R648-H689 PolarHBondContact O-NE2 3.18Å; R648-H689 VanDerWaalsContact O-NE2 3.15Å; V650-H689 VanDerWaalsContact CG2-CE1 3.49Å; V650-H689 WeakPolarHBondContact CG2-CE1 3.31Å; V650-H689 WeakPolarHBondContact CG2-ND1 3.45Å; H689-F724 WeakPolarHBondContact O-CA 3.34Å; H689-V725 PolarHBondContact O-N 3.13Å; H689-L728 HydrophobicContact CB-CD1 4.49Å
690	L	75.5	Confident	74.9	Confident	58 Å²	58	59.2 Å²	59.2	30%	0.304	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	132.2	167.9	-174.8	71.4	0	0	0	110.3	L317 F716 N723 F724	L317-L690 HydrophobicContact CD1-CD2 4.09Å; L317-L690 HydrophobicContact CD2-CD2 3.28Å; L317-L690 HydrophobicContact CG-CD2 4.24Å; L690-F716 HydrophobicContact CD1-CE2 3.56Å; L690-F716 HydrophobicContact CD1-CZ 3.44Å; L690-F716 VanDerWaalsContact CD1-CZ 3.44Å; L690-F716 HydrophobicContact CD2-CE2 3.78Å; L690-F716 HydrophobicContact CD2-CZ 4.36Å; L690-F716 HydrophobicContact CG-CE2 4.35Å; L690-N723 WeakPolarHBondContact CD1-O 3.41Å; L690-F724 HydrophobicContact CB-CD1 4.1Å; L690-F724 HydrophobicContact CB-CE1 4.05Å; L690-F724 HydrophobicContact CD1-CD1 3.92Å; L690-F724 HydrophobicContact CD1-CE1 4.02Å; L690-F724 HydrophobicContact CD1-CG 4.23Å; L690-F724 HydrophobicContact CD1-CZ 4.39Å
691	V	75.3	Confident	73.6	Confident	50 Å²	50	62.8 Å²	62.8	30%	0.303	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.9	171.4	176.8	0	0	0	0	109	V693 S722 N723 V725 L728	V691-V693 HydrophobicContact CG1-CG2 4.46Å; V691-S722 WeakPolarHBondContact O-CA 3.28Å; V691-N723 PolarHBondContact N-O 3.37Å; V691-N723 PolarHBondContact O-N 3.47Å; V691-V725 HydrophobicContact CB-CG2 3.75Å; V691-V725 HydrophobicContact CG2-CB 3.89Å; V691-V725 HydrophobicContact CG2-CG2 3.59Å; V691-L728 HydrophobicContact CG2-CD1 4.31Å
692	K	74.2	Confident	72.5	Confident	55 Å²	55	68 Å²	68	24%	0.239	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127.3	169	-168.3	163.1	-169	160.1	0	110.2	Y321 L324 D719 F721 S722	Y321-K692 HydrophobicContact CD2-CD 3.37Å; Y321-K692 VanDerWaalsContact CD2-CE 3.45Å; Y321-K692 HydrophobicContact CE2-CD 3.49Å; Y321-K692 VanDerWaalsContact CE2-CD 3.49Å; Y321-K692 HydrophobicContact CG-CD 4.43Å; L324-K692 HydrophobicContact CD2-CB 4.27Å; K692-D719 IonicContact NZ-OD2 3.26Å; K692-D719 PolarHBondContact NZ-OD2 2.86Å; K692-F721 WeakPolarHBondContact CA-O 3.46Å; K692-S722 WeakPolarHBondContact CD-OG 3.44Å; K692-S722 WeakPolarHBondContact CG-OG 3.45Å
693	V	73.1	Confident	70.8	Confident	25 Å²	25	69.9 Å²	69.9	15%	0.152	35%	0.348	C	S	.	.			trans	-95.2	122.2	-179.7	-179.7	0	0	0	0	109.1	V691 L695 F721 L733 V737	V691-V693 HydrophobicContact CG1-CG2 4.46Å; V693-L695 HydrophobicContact CG1-CD2 3.98Å; V693-L695 HydrophobicContact CG1-CG 4.25Å; V693-F721 HydrophobicContact CB-CD1 4.35Å; V693-F721 PolarHBondContact N-O 3.07Å; V693-L733 HydrophobicContact CG1-CD2 3.89Å; V693-L733 HydrophobicContact CG2-CD2 3.92Å; V693-V737 HydrophobicContact CG1-CG1 4.46Å; V693-V737 HydrophobicContact CG2-CG2 4.31Å
694	V	69.8	Low	69.1	Low	45 Å²	45	75.2 Å²	75.2	27%	0.273	37%	0.371	S	S	.	.			trans	-113.3	113.9	172.8	-171.4	0	0	0	0	108.8	L328 L696 Y707	L328-V694 HydrophobicContact CD2-CB 4.15Å; L328-V694 HydrophobicContact CD2-CG1 3.74Å; L328-V694 HydrophobicContact CD2-CG2 4.26Å; V694-L696 HydrophobicContact CG1-CD2 3.84Å; V694-Y707 HydrophobicContact CG1-CG 4.5Å
695	L	69.4	Low	67.4	Low	37 Å²	37	76.6 Å²	76.6	19%	0.194	38%	0.38	C	S	.	.			trans	-90.1	116.6	178.9	-63.4	178	0	0	0	110	V693 Y707 L708 F721 V741 A761	V693-L695 HydrophobicContact CG1-CD2 3.98Å; V693-L695 HydrophobicContact CG1-CG 4.25Å; L695-Y707 VanDerWaalsContact O-CA 3.31Å; L695-Y707 WeakPolarHBondContact O-CA 3.37Å; L695-L708 HydrophobicContact CB-CD1 4.26Å; L695-L708 HydrophobicContact CD1-CD1 3.9Å; L695-L708 PolarHBondContact O-N 3.43Å; L695-F721 HydrophobicContact CD1-CE1 3.99Å; L695-V741 HydrophobicContact CD1-CG2 3.95Å; L695-A761 HydrophobicContact CD2-CB 4.38Å
696	L	67.6	Low	65.8	Low	91 Å²	91	78.6 Å²	78.6	48%	0.476	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	130.1	-179	-52.8	173.8	0	0	0	110.5	L328 V694 I705	L328-L696 HydrophobicContact CD1-CD1 4.48Å; L328-L696 HydrophobicContact CD2-CD2 4.34Å; V694-L696 HydrophobicContact CG1-CD2 3.84Å; L696-I705 HydrophobicContact CB-CG2 4.26Å; L696-I705 HydrophobicContact CD2-CG2 3.44Å; L696-I705 VanDerWaalsContact CD2-CG2 3.44Å; L696-I705 HydrophobicContact CG-CG2 4.28Å
697	R	66.8	Low	64.3	Low	145 Å²	145	82.7 Å²	82.7	55%	0.547	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.8	170.6	-174	177.5	180	-179.6	1.9	110.8	E706	R697-E706 PolarHBondContact N-O 3.29Å; R697-E706 VanDerWaalsContact N-O 3.13Å
698	K	62.3	Low	62.9	Low	143 Å²	143	85.8 Å²	85.8	62%	0.622	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-94.7	128.7	168.8	-176.2	177.6	178.5	-177.5	0	110.1	L703	K698-L703 HydrophobicContact CD-CD2 3.77Å; K698-L703 HydrophobicContact CD-CG 4.38Å; K698-L703 HydrophobicContact CG-CD2 3.93Å; K698-L703 HydrophobicContact CG-CG 4.33Å
699	R	61	Low	61.6	Low	116 Å²	116	85.9 Å²	85.9	44%	0.438	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-93.9	152	168.7	-66	-168.2	-176.9	-160.3	2.7	110.5	G701 H702 E706	R699-G701 PolarHBondContact O-N 3.03Å; R699-H702 CarbonylContact C-O 3.48Å; R699-E706 IonicContact CZ-OE1 2.8Å; R699-E706 IonicContact CZ-OE2 2.91Å; R699-E706 IonicContact NE-OE1 3.48Å; R699-E706 IonicContact NE-OE2 3.06Å; R699-E706 PolarHBondContact NE-OE2 3.06Å; R699-E706 VanDerWaalsContact NH2-CD 3.33Å; R699-E706 IonicContact NH2-OE1 3.25Å; R699-E706 PolarHBondContact NH2-OE1 3.39Å; R699-E706 IonicContact NH2-OE2 2.88Å; R699-E706 PolarHBondContact NH2-OE2 2.96Å
700	R	62	Low	60.3	Low	252 Å²	252	85.9 Å²	85.9	95%	0.951	42%	0.418	S	S	*	.	S	Bend	trans	-53.2	122.3	-177.3	-67.6	179.9	177.2	177.1	-2	110.2	H702	R700-H702 PolarHBondContact O-N 2.89Å
701	G	54.2	Low	59.2	Low	76 Å²	76	89.3 Å²	89.3	78%	0.784	44%	0.436	S	S	*	.	S	Bend	trans	77	-49.4	173.8	0	0	0	0	0	115.9	R699	R699-G701 PolarHBondContact O-N 3.03Å
702	H	53.2	Low	58	Low	156 Å²	156	93.8 Å²	93.8	72%	0.722	46%	0.459	S	S	*	.	S	Bend	trans	-96.5	113.7	174.6	-61.5	-82.9	0	0	0	108.9	R699 R700 K704	R699-H702 CarbonylContact C-O 3.48Å; R700-H702 PolarHBondContact O-N 2.89Å; H702-K704 PolarHBondContact O-N 2.96Å
703	L	47.3	Very low	57	Low	64 Å²	64	99.8 Å²	99.8	34%	0.335	49%	0.485	S	S	.	.			trans	-67.5	66.6	169.7	-76.3	130.5	0	0	0	109.8	H336 I339 K698 I705	H336-L703 WeakPolarHBondContact NE2-CB 3.37Å; I339-L703 HydrophobicContact CD1-CD1 4.39Å; K698-L703 HydrophobicContact CD-CD2 3.77Å; K698-L703 HydrophobicContact CD-CG 4.38Å; K698-L703 HydrophobicContact CG-CD2 3.93Å; K698-L703 HydrophobicContact CG-CG 4.33Å; L703-I705 VanDerWaalsContact C-N 3.33Å; L703-I705 PolarHBondContact O-N 2.89Å; L703-I705 VanDerWaalsContact O-N 3.12Å
704	K	46.8	Very low	55.9	Low	117 Å²	117	102.1 Å²	102.1	51%	0.509	50%	0.496	S	S	.	.			trans	-77.2	96.1	163.8	-164.2	-175.8	-178.3	-156.5	0	105.8	H702 E706	H702-K704 PolarHBondContact O-N 2.96Å; K704-E706 HydrophobicContact CD-CG 4.22Å; K704-E706 WeakPolarHBondContact CD-OE1 3.48Å; K704-E706 WeakPolarHBondContact CE-OE1 3.34Å; K704-E706 HydrophobicContact CG-CG 4.17Å; K704-E706 IonicContact NZ-OE1 3.42Å; K704-E706 PolarHBondContact NZ-OE1 2.62Å; K704-E706 PolarHBondContact O-N 3.49Å
705	I	49.1	Very low	55.2	Low	53 Å²	53	101.7 Å²	101.7	27%	0.272	49%	0.494	S	S	.	.			trans	-74.5	100.5	173.4	-60.8	179.5	0	0	0	105.9	C332 L696 L703	C332-I705 HydrophobicContact CB-CD1 3.63Å; C332-I705 WeakPolarHBondContact SG-CD1 3.3Å; L696-I705 HydrophobicContact CB-CG2 4.26Å; L696-I705 HydrophobicContact CD2-CG2 3.44Å; L696-I705 VanDerWaalsContact CD2-CG2 3.44Å; L696-I705 HydrophobicContact CG-CG2 4.28Å; L703-I705 VanDerWaalsContact C-N 3.33Å; L703-I705 PolarHBondContact O-N 2.89Å; L703-I705 VanDerWaalsContact O-N 3.12Å
706	E	51.5	Low	54.5	Low	54 Å²	54	101.6 Å²	101.6	25%	0.252	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	127.1	168.9	-67.4	177	165.8	0	0	106.9	R697 R699 K704	R697-E706 PolarHBondContact N-O 3.29Å; R697-E706 VanDerWaalsContact N-O 3.13Å; R699-E706 IonicContact CZ-OE1 2.8Å; R699-E706 IonicContact CZ-OE2 2.91Å; R699-E706 IonicContact NE-OE1 3.48Å; R699-E706 IonicContact NE-OE2 3.06Å; R699-E706 PolarHBondContact NE-OE2 3.06Å; R699-E706 VanDerWaalsContact NH2-CD 3.33Å; R699-E706 IonicContact NH2-OE1 3.25Å; R699-E706 PolarHBondContact NH2-OE1 3.39Å; R699-E706 IonicContact NH2-OE2 2.88Å; R699-E706 PolarHBondContact NH2-OE2 2.96Å; K704-E706 HydrophobicContact CD-CG 4.22Å; K704-E706 WeakPolarHBondContact CD-OE1 3.48Å; K704-E706 WeakPolarHBondContact CE-OE1 3.34Å; K704-E706 HydrophobicContact CG-CG 4.17Å; K704-E706 IonicContact NZ-OE1 3.42Å; K704-E706 PolarHBondContact NZ-OE1 2.62Å; K704-E706 PolarHBondContact O-N 3.49Å
707	Y	53.4	Low	54	Low	119 Å²	119	100.4 Å²	100.4	47%	0.467	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	138.6	170.7	58.3	-86.4	0	0	0	110.1	V694 L695 A709	V694-Y707 HydrophobicContact CG1-CG 4.5Å; L695-Y707 VanDerWaalsContact O-CA 3.31Å; L695-Y707 WeakPolarHBondContact O-CA 3.37Å; Y707-A709 HydrophobicContact CD2-CB 3.68Å; Y707-A709 HydrophobicContact CE2-CB 3.64Å; Y707-A709 PolarHBondContact O-N 2.93Å
708	L	51	Low	53.8	Low	94 Å²	94	98.2 Å²	98.2	49%	0.492	49%	0.485	S	S	.	.			trans	-80.7	96	164.3	-76.6	154.4	0	0	0	106.7	L695 F721	L695-L708 HydrophobicContact CB-CD1 4.26Å; L695-L708 HydrophobicContact CD1-CD1 3.9Å; L695-L708 PolarHBondContact O-N 3.43Å; L708-F721 HydrophobicContact CB-CZ 4.27Å
709	A	52.3	Low	54.1	Low	35 Å²	35	92 Å²	92	29%	0.289	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-85.7	146	162.1	0	0	0	0	0	108.9	Y707	Y707-A709 HydrophobicContact CD2-CB 3.68Å; Y707-A709 HydrophobicContact CE2-CB 3.64Å; Y707-A709 PolarHBondContact O-N 2.93Å
710	A	51.5	Low	54.6	Low	18 Å²	18	88.3 Å²	88.3	15%	0.149	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-49.9	141.1	151.2	0	0	0	0	0	108.1	D712 L714 D719	A710-D712 PolarHBondContact O-N 3.35Å; A710-L714 HydrophobicContact CB-CD1 3.91Å; A710-D719 HydrophobicContact CB-CB 4.38Å; A710-D719 WeakPolarHBondContact CB-OD1 3.47Å
711	N	51.4	Low	55.2	Low	130 Å²	130	77.4 Å²	77.4	70%	0.695	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-50.8	132	171.5	-69.3	-22.4	0	0	0	107.9	K713 L714	N711-K713 PolarHBondContact O-N 2.85Å; N711-L714 PolarHBondContact O-N 3.32Å
712	D	51	Low	56.2	Low	145 Å²	145	74 Å²	74	78%	0.775	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-8.7	-174.5	-61.9	-33.6	0	0	0	114.6	A710	A710-D712 PolarHBondContact O-N 3.35Å
713	K	53	Low	57.4	Low	181 Å²	181	67.7 Å²	67.7	79%	0.787	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-6.5	-179.5	-55.9	-172.5	-179.9	-171.9	0	114.8	N711	N711-K713 PolarHBondContact O-N 2.85Å
714	L	50.1	Low	59	Low	73 Å²	73	66.7 Å²	66.7	38%	0.382	34%	0.337	S	S	.	.			trans	-74.2	136.5	-179.7	-68.2	-176.6	0	0	0	110.7	A710 N711 E718	A710-L714 HydrophobicContact CB-CD1 3.91Å; N711-L714 PolarHBondContact O-N 3.32Å; L714-E718 HydrophobicContact CB-CB 4.04Å; L714-E718 HydrophobicContact CD2-CB 4.15Å; L714-E718 HydrophobicContact CG-CB 4.49Å
715	T	54.2	Low	60.7	Low	37 Å²	37	63.2 Å²	63.2	23%	0.227	33%	0.326	C	S	.	.			trans	-66.9	156	170.7	54.6	0	0	0	0	109.9	P717 E718 D719	T715-P717 VanDerWaalsContact C-CD 3.43Å; T715-P717 VanDerWaalsContact C-N 3.33Å; T715-E718 PolarHBondContact N-OE2 3.48Å; T715-E718 VanDerWaalsContact N-OE2 3.08Å; T715-E718 CarbonylContact O-C 3.56Å; T715-E718 WeakPolarHBondContact O-CA 3.38Å; T715-E718 WeakPolarHBondContact O-CB 3.36Å; T715-E718 PolarHBondContact O-N 3.25Å; T715-E718 VanDerWaalsContact OG1-CG 3.22Å; T715-E718 WeakPolarHBondContact OG1-CG 3.45Å; T715-E718 PolarHBondContact OG1-OE2 2.91Å; T715-D719 PolarHBondContact O-N 2.99Å
716	F	55.1	Low	62.4	Low	34 Å²	34	63.6 Å²	63.6	15%	0.149	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-52.6	-41.8	-179.2	174.4	-98	0	0	0	114.2	L317 L690 E718 D719 F724	L317-F716 HydrophobicContact CD1-CD1 4.23Å; L317-F716 HydrophobicContact CD1-CD2 3.39Å; L317-F716 HydrophobicContact CD1-CE1 4.27Å; L317-F716 HydrophobicContact CD1-CE2 3.42Å; L317-F716 VanDerWaalsContact CD1-CE2 3.42Å; L317-F716 HydrophobicContact CD1-CG 3.81Å; L317-F716 HydrophobicContact CD1-CZ 3.89Å; L690-F716 HydrophobicContact CD1-CE2 3.56Å; L690-F716 HydrophobicContact CD1-CZ 3.44Å; L690-F716 VanDerWaalsContact CD1-CZ 3.44Å; L690-F716 HydrophobicContact CD2-CE2 3.78Å; L690-F716 HydrophobicContact CD2-CZ 4.36Å; L690-F716 HydrophobicContact CG-CE2 4.35Å; F716-E718 PolarHBondContact O-N 3.48Å; F716-D719 PolarHBondContact O-N 2.77Å; F716-F724 HydrophobicContact CE1-CD2 4.24Å; F716-F724 AromaticContact CE1-CE2 3.55Å; F716-F724 HydrophobicContact CE1-CE2 3.55Å; F716-F724 HydrophobicContact CE1-CZ 4.15Å; F716-F724 HydrophobicContact CZ-CD2 4.16Å; F716-F724 AromaticContact CZ-CE2 3.65Å; F716-F724 HydrophobicContact CZ-CE2 3.65Å; F716-F724 AromaticContact CZ-CZ 3.99Å; F716-F724 HydrophobicContact CZ-CZ 3.99Å
717	P	56.3	Low	63.9	Low	66 Å²	66	66.8 Å²	66.8	43%	0.429	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-60.1	-29.1	173.2	-23	34.8	0	0	0	113.3	T715 R736	T715-P717 VanDerWaalsContact C-CD 3.43Å; T715-P717 VanDerWaalsContact C-N 3.33Å; P717-R736 PolarHBondContact O-NH2 3.46Å
718	E	62.9	Low	64.9	Low	99 Å²	99	62.3 Å²	62.3	46%	0.463	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-87.7	-18	-179.5	-63.8	174.5	151.4	0	0	113.4	L714 T715 F716 V720	L714-E718 HydrophobicContact CB-CB 4.04Å; L714-E718 HydrophobicContact CD2-CB 4.15Å; L714-E718 HydrophobicContact CG-CB 4.49Å; T715-E718 PolarHBondContact N-OE2 3.48Å; T715-E718 VanDerWaalsContact N-OE2 3.08Å; T715-E718 CarbonylContact O-C 3.56Å; T715-E718 WeakPolarHBondContact O-CA 3.38Å; T715-E718 WeakPolarHBondContact O-CB 3.36Å; T715-E718 PolarHBondContact O-N 3.25Å; T715-E718 VanDerWaalsContact OG1-CG 3.22Å; T715-E718 WeakPolarHBondContact OG1-CG 3.45Å; T715-E718 PolarHBondContact OG1-OE2 2.91Å; F716-E718 PolarHBondContact O-N 3.48Å; E718-V720 PolarHBondContact O-N 3.28Å
719	D	68.5	Low	66	Low	12 Å²	12	61.5 Å²	61.5	6%	0.064	33%	0.328	C	S	.	.			trans	-68.7	101.1	174.7	-174.3	-0.4	0	0	0	110.1	K692 A710 T715 F716 F721 S722 R736	K692-D719 IonicContact NZ-OD2 3.26Å; K692-D719 PolarHBondContact NZ-OD2 2.86Å; A710-D719 HydrophobicContact CB-CB 4.38Å; A710-D719 WeakPolarHBondContact CB-OD1 3.47Å; T715-D719 PolarHBondContact O-N 2.99Å; F716-D719 PolarHBondContact O-N 2.77Å; D719-F721 PolarHBondContact O-N 2.82Å; D719-F721 PolarHBondContact OD1-N 3.46Å; D719-S722 PolarHBondContact O-N 2.87Å; D719-S722 VanDerWaalsContact O-O 3.1Å; D719-S722 PolarHBondContact OD1-N 3.29Å; D719-S722 VanDerWaalsContact OD2-CB 3.31Å; D719-S722 WeakPolarHBondContact OD2-CB 3.31Å; D719-S722 PolarHBondContact OD2-OG 3.02Å; D719-R736 PolarHBondContact O-NH1 3.4Å
720	V	72.1	Confident	67.3	Low	40 Å²	40	62.2 Å²	62.2	24%	0.242	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-28.2	-179.8	180	0	0	0	0	111.9	E718 N723 R736 V737 A740	E718-V720 PolarHBondContact O-N 3.28Å; V720-N723 PolarHBondContact O-ND2 2.91Å; V720-R736 VanDerWaalsContact CG1-C 3.4Å; V720-R736 HydrophobicContact CG1-CB 3.9Å; V720-R736 WeakPolarHBondContact CG1-O 3.34Å; V720-V737 VanDerWaalsContact O-CG2 3.25Å; V720-V737 WeakPolarHBondContact O-CG2 3.22Å; V720-A740 HydrophobicContact CB-CB 4.3Å; V720-A740 HydrophobicContact CG1-CB 3.45Å; V720-A740 VanDerWaalsContact CG1-CB 3.45Å
721	F	75.5	Confident	68.5	Low	23 Å²	23	67.2 Å²	67.2	10%	0.101	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-8.8	-176.8	-64.2	-76.8	0	0	0	113.7	K692 V693 L695 L708 D719 V737	K692-F721 WeakPolarHBondContact CA-O 3.46Å; V693-F721 HydrophobicContact CB-CD1 4.35Å; V693-F721 PolarHBondContact N-O 3.07Å; L695-F721 HydrophobicContact CD1-CE1 3.99Å; L708-F721 HydrophobicContact CB-CZ 4.27Å; D719-F721 PolarHBondContact O-N 2.82Å; D719-F721 PolarHBondContact OD1-N 3.46Å; F721-V737 HydrophobicContact CD1-CG1 4.09Å; F721-V737 HydrophobicContact CD1-CG2 4.03Å; F721-V737 HydrophobicContact CE1-CG1 4.06Å
722	S	74.7	Confident	70	Confident	5 Å²	5	68.8 Å²	68.8	4%	0.035	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	120.7	175.6	-63.6	0	0	0	0	110.3	V691 K692 D719	V691-S722 WeakPolarHBondContact O-CA 3.28Å; K692-S722 WeakPolarHBondContact CD-OG 3.44Å; K692-S722 WeakPolarHBondContact CG-OG 3.45Å; D719-S722 PolarHBondContact O-N 2.87Å; D719-S722 VanDerWaalsContact O-O 3.1Å; D719-S722 PolarHBondContact OD1-N 3.29Å; D719-S722 VanDerWaalsContact OD2-CB 3.31Å; D719-S722 WeakPolarHBondContact OD2-CB 3.31Å; D719-S722 PolarHBondContact OD2-OG 3.02Å
723	N	78.8	Confident	71.5	Confident	22 Å²	22	63.3 Å²	63.3	12%	0.118	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	142.5	-179.3	-63.6	-77.2	0	0	0	111.5	L690 V691 V720 S734 R736	L690-N723 WeakPolarHBondContact CD1-O 3.41Å; V691-N723 PolarHBondContact N-O 3.37Å; V691-N723 PolarHBondContact O-N 3.47Å; V720-N723 PolarHBondContact O-ND2 2.91Å; N723-S734 PolarHBondContact ND2-OG 2.87Å; N723-R736 WeakPolarHBondContact OD1-CD 3.33Å; N723-R736 PolarHBondContact OD1-NH1 2.89Å
724	F	80	Confident	73	Confident	43 Å²	43	56.3 Å²	56.3	19%	0.189	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	135.6	168.3	-69.6	-67.3	0	0	0	110.2	L313 F622 L682 P683 T688 H689 L690 F716	L313-F724 HydrophobicContact CD2-CZ 4.49Å; F622-F724 HydrophobicContact CD1-CD2 4.15Å; F622-F724 AromaticContact CE1-CD2 3.4Å; F622-F724 HydrophobicContact CE1-CD2 3.4Å; F622-F724 AromaticContact CE1-CE2 3.66Å; F622-F724 HydrophobicContact CE1-CE2 3.66Å; F622-F724 AromaticContact CZ-CD2 3.79Å; F622-F724 HydrophobicContact CZ-CD2 3.79Å; F622-F724 AromaticContact CZ-CE2 3.59Å; F622-F724 HydrophobicContact CZ-CE2 3.59Å; L682-F724 HydrophobicContact CD2-CE1 4.35Å; L682-F724 HydrophobicContact CD2-CZ 4.09Å; P683-F724 HydrophobicContact CG-CB 4.38Å; P683-F724 HydrophobicContact CG-CD2 4.28Å; P683-F724 HydrophobicContact CG-CG 4.23Å; T688-F724 HydrophobicContact CG2-CD1 3.34Å; T688-F724 HydrophobicContact CG2-CE1 3.51Å; T688-F724 HydrophobicContact CG2-CG 4.15Å; T688-F724 HydrophobicContact CG2-CZ 4.43Å; H689-F724 WeakPolarHBondContact O-CA 3.34Å; L690-F724 HydrophobicContact CB-CD1 4.1Å; L690-F724 HydrophobicContact CB-CE1 4.05Å; L690-F724 HydrophobicContact CD1-CD1 3.92Å; L690-F724 HydrophobicContact CD1-CE1 4.02Å; L690-F724 HydrophobicContact CD1-CG 4.23Å; L690-F724 HydrophobicContact CD1-CZ 4.39Å; F716-F724 HydrophobicContact CE1-CD2 4.24Å; F716-F724 AromaticContact CE1-CE2 3.55Å; F716-F724 HydrophobicContact CE1-CE2 3.55Å; F716-F724 HydrophobicContact CE1-CZ 4.15Å; F716-F724 HydrophobicContact CZ-CD2 4.16Å; F716-F724 AromaticContact CZ-CE2 3.65Å; F716-F724 HydrophobicContact CZ-CE2 3.65Å; F716-F724 AromaticContact CZ-CZ 3.99Å; F716-F724 HydrophobicContact CZ-CZ 3.99Å
725	V	81.9	Confident	74.6	Confident	44 Å²	44	58.1 Å²	58.1	27%	0.267	30%	0.301	S	S	.	.			trans	-127.6	124.7	-172.5	177.5	0	0	0	0	110.5	H689 V691	H689-V725 PolarHBondContact O-N 3.13Å; V691-V725 HydrophobicContact CB-CG2 3.75Å; V691-V725 HydrophobicContact CG2-CB 3.89Å; V691-V725 HydrophobicContact CG2-CG2 3.59Å
726	D	84.5	Confident	76	Confident	61 Å²	61	60.9 Å²	60.9	33%	0.326	31%	0.307	S	S	.	.	S	Bend	trans	-76.2	-34.2	176	-64.1	-37.1	0	0	0	112.1	I645 D646 R684	I645-D726 HydrophobicContact CB-CB 4.42Å; I645-D726 HydrophobicContact CG1-CB 4.1Å; I645-D726 HydrophobicContact CG2-CB 4.41Å; D646-D726 WeakPolarHBondContact CB-O 3.48Å; D646-D726 PolarHBondContact N-O 3.39Å; R684-D726 IonicContact CZ-OD1 2.58Å; R684-D726 IonicContact NE-OD1 3.2Å; R684-D726 PolarHBondContact NE-OD1 3.46Å; R684-D726 VanDerWaalsContact NH2-CG 3.31Å; R684-D726 IonicContact NH2-OD1 3.52Å; R684-D726 PolarHBondContact NH2-OD1 3.38Å; R684-D726 IonicContact NH2-OD2 3.71Å; R684-D726 PolarHBondContact NH2-OD2 3.21Å
727	K	83.1	Confident	77.3	Confident	122 Å²	122	59.3 Å²	59.3	53%	0.53	30%	0.3	S	S	.	.			trans	-110.3	84.6	-176	-67.7	-179.3	-176.4	174.3	0	112.2	G644 S729 S730	G644-K727 VanDerWaalsContact O-CE 3.27Å; G644-K727 WeakPolarHBondContact O-CE 3.43Å; G644-K727 WeakPolarHBondContact O-CG 3.19Å; K727-S729 PolarHBondContact O-N 3.03Å; K727-S729 VanDerWaalsContact O-N 3.13Å; K727-S730 VanDerWaalsContact O-CB 3.28Å; K727-S730 WeakPolarHBondContact O-CB 3.3Å; K727-S730 PolarHBondContact O-N 2.82Å
728	L	76.1	Confident	78.7	Confident	25 Å²	25	57.6 Å²	57.6	13%	0.131	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.9	-179.7	-167.7	62.4	0	0	0	113.9	V650 H689 V691 S730 K767 Y769	V650-L728 HydrophobicContact CG1-CD2 4.28Å; V650-L728 HydrophobicContact CG2-CD2 3.78Å; H689-L728 HydrophobicContact CB-CD1 4.49Å; V691-L728 HydrophobicContact CG2-CD1 4.31Å; L728-S730 VanDerWaalsContact C-N 3.32Å; L728-K767 PolarHBondContact O-NZ 3.31Å; L728-Y769 HydrophobicContact CD1-CD1 4.41Å; L728-Y769 HydrophobicContact CD1-CE1 3.79Å; L728-Y769 HydrophobicContact CD2-CD1 4.11Å; L728-Y769 HydrophobicContact CD2-CE1 3.61Å; L728-Y769 HydrophobicContact CG-CD1 4.49Å; L728-Y769 HydrophobicContact CG-CE1 3.64Å
729	S	73.4	Confident	79.7	Confident	77 Å²	77	57.5 Å²	57.5	54%	0.538	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-18.9	176.2	55	0	0	0	0	113.8	K641 K727 K767	K641-S729 PolarHBondContact NZ-OG 2.9Å; K727-S729 PolarHBondContact O-N 3.03Å; K727-S729 VanDerWaalsContact O-N 3.13Å; S729-K767 VanDerWaalsContact C-NZ 3.26Å; S729-K767 PolarHBondContact O-NZ 3.47Å; S729-K767 VanDerWaalsContact O-NZ 3.09Å
730	S	80.2	Confident	80.4	Confident	50 Å²	50	58.5 Å²	58.5	35%	0.35	30%	0.296	S	S	.	.			trans	-66.5	132.6	179.5	-176.6	0	0	0	0	111.5	K727 L728 K732 K767	K727-S730 VanDerWaalsContact O-CB 3.28Å; K727-S730 WeakPolarHBondContact O-CB 3.3Å; K727-S730 PolarHBondContact O-N 2.82Å; L728-S730 VanDerWaalsContact C-N 3.32Å; S730-K732 WeakPolarHBondContact OG-CB 3.36Å; S730-K732 PolarHBondContact OG-N 3.29Å; S730-K732 VanDerWaalsContact OG-N 3.16Å; S730-K767 VanDerWaalsContact C-NZ 3.32Å; S730-K767 WeakPolarHBondContact O-CE 3.45Å; S730-K767 PolarHBondContact O-NZ 3.29Å
731	K	75.2	Confident	80.8	Confident	122 Å²	122	57 Å²	57	53%	0.53	29%	0.287	S	S	.	.			trans	-87	-8.8	169.3	-68.9	-173.5	177.2	-173.2	0	112.9
732	K	84.1	Confident	81.3	Confident	164 Å²	164	59 Å²	59	71%	0.713	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-66.7	136.8	-177.8	-65.4	-166.9	172.2	-168.1	0	111.5	S730 E762	S730-K732 WeakPolarHBondContact OG-CB 3.36Å; S730-K732 PolarHBondContact OG-N 3.29Å; S730-K732 VanDerWaalsContact OG-N 3.16Å; K732-E762 WeakPolarHBondContact CA-OE1 3.5Å
733	L	82.6	Confident	81.7	Confident	30 Å²	30	63.6 Å²	63.6	16%	0.157	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-72.8	156	174.2	-65.1	172.9	0	0	0	110.7	V693 V737 I738 L758 A761 E762	V693-L733 HydrophobicContact CG1-CD2 3.89Å; V693-L733 HydrophobicContact CG2-CD2 3.92Å; L733-V737 HydrophobicContact CB-CG1 4.47Å; L733-V737 HydrophobicContact CD1-CG1 4.31Å; L733-V737 HydrophobicContact CD2-CG1 4.5Å; L733-I738 HydrophobicContact CB-CD1 4.41Å; L733-I738 HydrophobicContact CB-CG1 4.11Å; L733-L758 HydrophobicContact CD1-CD2 3.79Å; L733-A761 HydrophobicContact CD1-CB 4.49Å; L733-E762 HydrophobicContact CD1-CG 4.12Å; L733-E762 HydrophobicContact CG-CG 3.88Å; L733-E762 PolarHBondContact N-OE1 2.91Å
734	S	83	Confident	81.8	Confident	33 Å²	33	64.4 Å²	64.4	23%	0.231	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-70.6	149.4	173.9	70.1	0	0	0	0	110.3	N723 R736 V737 I738	N723-S734 PolarHBondContact ND2-OG 2.87Å; S734-R736 PolarHBondContact O-N 3.46Å; S734-V737 PolarHBondContact O-N 2.9Å; S734-V737 WeakPolarHBondContact OG-CG2 3.39Å; S734-V737 PolarHBondContact OG-N 2.87Å; S734-I738 PolarHBondContact O-N 2.89Å
735	E	84.8	Confident	81.7	Confident	112 Å²	112	67 Å²	67	52%	0.523	35%	0.351	S	S	.	.	H	α-helix	trans	-55.8	-35.7	177.3	-176.5	57.1	-152.7	0	0	111.8	V737 I738 Q739	E735-V737 PolarHBondContact O-N 3.26Å; E735-I738 PolarHBondContact O-N 2.99Å; E735-Q739 HydrophobicContact CG-CG 4.36Å; E735-Q739 WeakPolarHBondContact O-CB 3.29Å; E735-Q739 VanDerWaalsContact O-CG 3.32Å; E735-Q739 WeakPolarHBondContact O-CG 3.35Å; E735-Q739 PolarHBondContact O-N 3.27Å; E735-Q739 WeakPolarHBondContact OE1-CG 3.26Å; E735-Q739 PolarHBondContact OE1-NE2 2.89Å
736	R	83	Confident	81.4	Confident	95 Å²	95	71.4 Å²	71.4	36%	0.358	37%	0.367	S	S	.	.	H	α-helix	trans	-59.6	-45.7	176.1	-64.5	-178.9	66.5	-154.5	9.3	111.7	P717 D719 V720 N723 S734 Q739 A740	P717-R736 PolarHBondContact O-NH2 3.46Å; D719-R736 PolarHBondContact O-NH1 3.4Å; V720-R736 VanDerWaalsContact CG1-C 3.4Å; V720-R736 HydrophobicContact CG1-CB 3.9Å; V720-R736 WeakPolarHBondContact CG1-O 3.34Å; N723-R736 WeakPolarHBondContact OD1-CD 3.33Å; N723-R736 PolarHBondContact OD1-NH1 2.89Å; S734-R736 PolarHBondContact O-N 3.46Å; R736-Q739 PolarHBondContact O-N 2.95Å; R736-A740 WeakPolarHBondContact O-CB 3.37Å; R736-A740 PolarHBondContact O-N 3.38Å
737	V	82	Confident	81.1	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-65.1	-44	177.5	173.4	0	0	0	0	110.7	V693 V720 F721 L733 S734 E735 Q739 A740 V741	V693-V737 HydrophobicContact CG1-CG1 4.46Å; V693-V737 HydrophobicContact CG2-CG2 4.31Å; V720-V737 VanDerWaalsContact O-CG2 3.25Å; V720-V737 WeakPolarHBondContact O-CG2 3.22Å; F721-V737 HydrophobicContact CD1-CG1 4.09Å; F721-V737 HydrophobicContact CD1-CG2 4.03Å; F721-V737 HydrophobicContact CE1-CG1 4.06Å; L733-V737 HydrophobicContact CB-CG1 4.47Å; L733-V737 HydrophobicContact CD1-CG1 4.31Å; L733-V737 HydrophobicContact CD2-CG1 4.5Å; S734-V737 PolarHBondContact O-N 2.9Å; S734-V737 WeakPolarHBondContact OG-CG2 3.39Å; S734-V737 PolarHBondContact OG-N 2.87Å; E735-V737 PolarHBondContact O-N 3.26Å; V737-Q739 VanDerWaalsContact C-N 3.34Å; V737-Q739 PolarHBondContact O-N 2.8Å; V737-A740 PolarHBondContact O-N 3.25Å; V737-V741 WeakPolarHBondContact O-CG2 3.41Å; V737-V741 PolarHBondContact O-N 3.06Å
738	I	86.5	Confident	81	Confident	31 Å²	31	72.4 Å²	72.4	16%	0.159	36%	0.363	C	S	.	.	H	α-helix	trans	-58.1	-48.4	178	-68	168.5	0	0	0	110.3	L733 S734 E735 V741 K742 L758	L733-I738 HydrophobicContact CB-CD1 4.41Å; L733-I738 HydrophobicContact CB-CG1 4.11Å; S734-I738 PolarHBondContact O-N 2.89Å; E735-I738 PolarHBondContact O-N 2.99Å; I738-V741 PolarHBondContact O-N 3.14Å; I738-K742 HydrophobicContact CG2-CD 4.11Å; I738-K742 WeakPolarHBondContact O-CB 3.41Å; I738-K742 WeakPolarHBondContact O-CG 3.26Å; I738-K742 PolarHBondContact O-N 2.97Å; I738-L758 HydrophobicContact CB-CD1 4.4Å; I738-L758 HydrophobicContact CG1-CD1 4.39Å; I738-L758 HydrophobicContact CG1-CD2 4.42Å; I738-L758 HydrophobicContact CG2-CD1 3.9Å
739	Q	84.8	Confident	81.4	Confident	96 Å²	96	80.7 Å²	80.7	45%	0.449	39%	0.394	S	S	.	.	H	α-helix	trans	-65	-41.4	178.5	-71.8	-179.1	0.3	0	0	112.4	E735 R736 V737 V741 K742 N743	E735-Q739 HydrophobicContact CG-CG 4.36Å; E735-Q739 WeakPolarHBondContact O-CB 3.29Å; E735-Q739 VanDerWaalsContact O-CG 3.32Å; E735-Q739 WeakPolarHBondContact O-CG 3.35Å; E735-Q739 PolarHBondContact O-N 3.27Å; E735-Q739 WeakPolarHBondContact OE1-CG 3.26Å; E735-Q739 PolarHBondContact OE1-NE2 2.89Å; R736-Q739 PolarHBondContact O-N 2.95Å; V737-Q739 VanDerWaalsContact C-N 3.34Å; V737-Q739 PolarHBondContact O-N 2.8Å; Q739-V741 VanDerWaalsContact C-N 3.33Å; Q739-V741 PolarHBondContact O-N 3.27Å; Q739-K742 PolarHBondContact O-N 3.31Å; Q739-N743 WeakPolarHBondContact O-CB 3.35Å; Q739-N743 PolarHBondContact O-N 3.43Å; Q739-N743 PolarHBondContact O-ND2 3.44Å
740	A	81.3	Confident	82	Confident	33 Å²	33	84 Å²	84	27%	0.273	39%	0.394	S	S	.	.	H	α-helix	trans	-62.5	-40.3	176.5	0	0	0	0	0	112.5	V720 R736 V737 S744	V720-A740 HydrophobicContact CB-CB 4.3Å; V720-A740 HydrophobicContact CG1-CB 3.45Å; V720-A740 VanDerWaalsContact CG1-CB 3.45Å; R736-A740 WeakPolarHBondContact O-CB 3.37Å; R736-A740 PolarHBondContact O-N 3.38Å; V737-A740 PolarHBondContact O-N 3.25Å; A740-S744 PolarHBondContact O-N 3.45Å; A740-S744 VanDerWaalsContact O-N 3.13Å
741	V	81.6	Confident	82.2	Confident	9 Å²	9	85.2 Å²	85.2	6%	0.055	40%	0.403	C	S	.	.	H	α-helix	trans	-66.1	-50.2	175.4	174.7	0	0	0	0	110.1	L695 V737 I738 Q739 N743 S744 Y747 L758	L695-V741 HydrophobicContact CD1-CG2 3.95Å; V737-V741 WeakPolarHBondContact O-CG2 3.41Å; V737-V741 PolarHBondContact O-N 3.06Å; I738-V741 PolarHBondContact O-N 3.14Å; Q739-V741 VanDerWaalsContact C-N 3.33Å; Q739-V741 PolarHBondContact O-N 3.27Å; V741-N743 VanDerWaalsContact C-N 3.35Å; V741-N743 PolarHBondContact O-N 3.08Å; V741-S744 WeakPolarHBondContact O-CB 3.42Å; V741-S744 PolarHBondContact O-N 3.31Å; V741-S744 PolarHBondContact O-OG 3.4Å; V741-Y747 HydrophobicContact CG1-CD2 3.72Å; V741-Y747 HydrophobicContact CG1-CE2 3.97Å; V741-Y747 WeakPolarHBondContact O-CB 3.41Å; V741-Y747 WeakPolarHBondContact O-CD2 3.1Å; V741-L758 HydrophobicContact CB-CD2 4.05Å; V741-L758 HydrophobicContact CG1-CD2 4.07Å; V741-L758 HydrophobicContact CG1-CG 4.23Å; V741-L758 HydrophobicContact CG2-CD2 4.12Å
742	K	85.6	Confident	82.9	Confident	66 Å²	66	83.3 Å²	83.3	29%	0.287	40%	0.399	S	S	.	.	H	α-helix	trans	-59.9	-40.5	179.4	-74.7	-174.2	170.1	-167.3	0	112.6	I738 Q739 S744 Y747 R748 A754 E755 L758	I738-K742 HydrophobicContact CG2-CD 4.11Å; I738-K742 WeakPolarHBondContact O-CB 3.41Å; I738-K742 WeakPolarHBondContact O-CG 3.26Å; I738-K742 PolarHBondContact O-N 2.97Å; Q739-K742 PolarHBondContact O-N 3.31Å; K742-S744 VanDerWaalsContact C-N 3.33Å; K742-S744 PolarHBondContact O-N 2.91Å; K742-Y747 CarbonylContact O-C 3.45Å; K742-R748 VanDerWaalsContact O-CA 3.26Å; K742-R748 WeakPolarHBondContact O-CA 3.43Å; K742-R748 PolarHBondContact O-N 3.32Å; K742-A754 HydrophobicContact CG-CB 4.18Å; K742-E755 IonicContact NZ-OE1 3.52Å; K742-E755 PolarHBondContact NZ-OE1 3.44Å; K742-L758 HydrophobicContact CG-CD1 4.33Å
743	N	83.6	Confident	83	Confident	100 Å²	100	77.2 Å²	77.2	54%	0.535	38%	0.375	S	S	.	.	H	α-helix	trans	-81.3	-10	-178.3	-67.7	-20.4	0	0	0	114.2	Q739 V741 R748	Q739-N743 WeakPolarHBondContact O-CB 3.35Å; Q739-N743 PolarHBondContact O-N 3.43Å; Q739-N743 PolarHBondContact O-ND2 3.44Å; V741-N743 VanDerWaalsContact C-N 3.35Å; V741-N743 PolarHBondContact O-N 3.08Å; N743-R748 PolarHBondContact O-NE 3.02Å; N743-R748 PolarHBondContact O-NH2 3.37Å
744	S	81.4	Confident	83.1	Confident	39 Å²	39	75.8 Å²	75.8	27%	0.273	37%	0.367	S	S	.	.	S	Bend	trans	-61.9	147.9	177.1	76.3	0	0	0	0	111	A740 V741 K742 K746 Y747 R748	A740-S744 PolarHBondContact O-N 3.45Å; A740-S744 VanDerWaalsContact O-N 3.13Å; V741-S744 WeakPolarHBondContact O-CB 3.42Å; V741-S744 PolarHBondContact O-N 3.31Å; V741-S744 PolarHBondContact O-OG 3.4Å; K742-S744 VanDerWaalsContact C-N 3.33Å; K742-S744 PolarHBondContact O-N 2.91Å; S744-K746 PolarHBondContact O-N 3.09Å; S744-Y747 PolarHBondContact O-N 3.15Å; S744-Y747 VanDerWaalsContact OG-CD2 3.22Å; S744-Y747 WeakPolarHBondContact OG-CD2 3.38Å; S744-R748 WeakPolarHBondContact O-CB 3.42Å; S744-R748 PolarHBondContact O-N 3.23Å
745	S	78	Confident	83.4	Confident	98 Å²	98	79 Å²	79	69%	0.685	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-25.1	-176.4	55.4	0	0	0	0	114.1
746	K	74.5	Confident	83.5	Confident	137 Å²	137	80.7 Å²	80.7	60%	0.596	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-26.5	179.9	-64.8	176.4	-177.4	165	0	113.8	S744	S744-K746 PolarHBondContact O-N 3.09Å
747	Y	78.9	Confident	83.5	Confident	57 Å²	57	78.8 Å²	78.8	22%	0.224	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-11.3	-170.6	-63.2	-58.8	0	0	0	113.5	V741 K742 S744 Y749 R750 V753 A754 V757	V741-Y747 HydrophobicContact CG1-CD2 3.72Å; V741-Y747 HydrophobicContact CG1-CE2 3.97Å; V741-Y747 WeakPolarHBondContact O-CB 3.41Å; V741-Y747 WeakPolarHBondContact O-CD2 3.1Å; K742-Y747 CarbonylContact O-C 3.45Å; S744-Y747 PolarHBondContact O-N 3.15Å; S744-Y747 VanDerWaalsContact OG-CD2 3.22Å; S744-Y747 WeakPolarHBondContact OG-CD2 3.38Å; Y747-Y749 PolarHBondContact O-N 3.01Å; Y747-R750 CarbonylContact O-C 3.35Å; Y747-R750 PolarHBondContact O-N 2.82Å; Y747-V753 HydrophobicContact CD1-CG1 4.49Å; Y747-V753 HydrophobicContact CE1-CG1 4.16Å; Y747-A754 HydrophobicContact CD1-CB 4.07Å; Y747-A754 HydrophobicContact CG-CB 4.02Å; Y747-V757 HydrophobicContact CE1-CG2 4.18Å
748	R	80.3	Confident	83.7	Confident	146 Å²	146	79.5 Å²	79.5	55%	0.551	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-36.9	-177.9	-173.4	177.9	-64.1	165.9	-1.8	114.1	K742 N743 S744	K742-R748 VanDerWaalsContact O-CA 3.26Å; K742-R748 WeakPolarHBondContact O-CA 3.43Å; K742-R748 PolarHBondContact O-N 3.32Å; N743-R748 PolarHBondContact O-NE 3.02Å; N743-R748 PolarHBondContact O-NH2 3.37Å; S744-R748 WeakPolarHBondContact O-CB 3.42Å; S744-R748 PolarHBondContact O-N 3.23Å
749	Y	84.9	Confident	83.7	Confident	199 Å²	199	80.6 Å²	80.6	78%	0.78	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	9.4	179.8	-52.9	-74.1	0	0	0	113.3	Y747	Y747-Y749 PolarHBondContact O-N 3.01Å
750	R	86	Confident	83.6	Confident	147 Å²	147	82.5 Å²	82.5	56%	0.555	40%	0.404	S	S	*	.			trans	-135.6	62.4	-176.4	-63.1	-173.5	69.1	168.1	7.1	110.1	Y747 D752 V753 A754	Y747-R750 CarbonylContact O-C 3.35Å; Y747-R750 PolarHBondContact O-N 2.82Å; R750-D752 VanDerWaalsContact C-N 3.31Å; R750-D752 PolarHBondContact O-N 2.92Å; R750-V753 HydrophobicContact CB-CB 4.21Å; R750-V753 HydrophobicContact CB-CG2 4.3Å; R750-V753 PolarHBondContact O-N 2.94Å; R750-A754 PolarHBondContact O-N 3.11Å
751	S	84.4	Confident	83.6	Confident	76 Å²	76	82.3 Å²	82.3	53%	0.531	40%	0.403	S	S	.	.	H	α-helix	trans	-59.7	-40.7	-177	50.1	0	0	0	0	112.3	V753 A754 E755	S751-V753 PolarHBondContact O-N 3.49Å; S751-A754 WeakPolarHBondContact O-CB 3.45Å; S751-A754 PolarHBondContact O-N 3Å; S751-E755 WeakPolarHBondContact O-CG 3.36Å; S751-E755 PolarHBondContact O-N 3.35Å
752	D	88.7	Confident	83.7	Confident	82 Å²	82	84.1 Å²	84.1	44%	0.439	41%	0.41	S	S	.	.	H	α-helix	trans	-58.4	-43.6	177.4	71	-50.9	0	0	0	112.4	R750 K756	R750-D752 VanDerWaalsContact C-N 3.31Å; R750-D752 PolarHBondContact O-N 2.92Å; D752-K756 WeakPolarHBondContact O-CG 3.23Å; D752-K756 PolarHBondContact O-N 3Å; D752-K756 VanDerWaalsContact O-N 3.13Å
753	V	87	Confident	83.5	Confident	35 Å²	35	86.7 Å²	86.7	21%	0.212	42%	0.424	C	S	.	.	H	α-helix	trans	-71.5	-39.1	177.1	-178	0	0	0	0	110.6	Y747 R750 S751 E755 K756 V757	Y747-V753 HydrophobicContact CD1-CG1 4.49Å; Y747-V753 HydrophobicContact CE1-CG1 4.16Å; R750-V753 HydrophobicContact CB-CB 4.21Å; R750-V753 HydrophobicContact CB-CG2 4.3Å; R750-V753 PolarHBondContact O-N 2.94Å; S751-V753 PolarHBondContact O-N 3.49Å; V753-E755 VanDerWaalsContact C-N 3.31Å; V753-E755 PolarHBondContact O-N 3.03Å; V753-K756 PolarHBondContact O-N 3.12Å; V753-V757 HydrophobicContact CG1-CG2 4.38Å; V753-V757 VanDerWaalsContact O-CG2 3.26Å; V753-V757 WeakPolarHBondContact O-CG2 3.44Å; V753-V757 PolarHBondContact O-N 3.05Å
754	A	85.2	Confident	83.1	Confident	0 Å²	0	87 Å²	87	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-58.9	-45.4	176.6	0	0	0	0	0	111	K742 Y747 R750 S751 V757 L758	K742-A754 HydrophobicContact CG-CB 4.18Å; Y747-A754 HydrophobicContact CD1-CB 4.07Å; Y747-A754 HydrophobicContact CG-CB 4.02Å; R750-A754 PolarHBondContact O-N 3.11Å; S751-A754 WeakPolarHBondContact O-CB 3.45Å; S751-A754 PolarHBondContact O-N 3Å; A754-V757 PolarHBondContact O-N 3.27Å; A754-L758 WeakPolarHBondContact O-CB 3.35Å; A754-L758 VanDerWaalsContact O-CG 3.27Å; A754-L758 WeakPolarHBondContact O-CG 3.44Å; A754-L758 PolarHBondContact O-N 3.31Å
755	E	88.6	Confident	82.8	Confident	102 Å²	102	87 Å²	87	48%	0.477	43%	0.428	S	S	.	.	H	α-helix	trans	-65.3	-42.8	178.8	-73.2	-179.2	175.4	0	0	112.2	K742 S751 V753 V757 L758 S759	K742-E755 IonicContact NZ-OE1 3.52Å; K742-E755 PolarHBondContact NZ-OE1 3.44Å; S751-E755 WeakPolarHBondContact O-CG 3.36Å; S751-E755 PolarHBondContact O-N 3.35Å; V753-E755 VanDerWaalsContact C-N 3.31Å; V753-E755 PolarHBondContact O-N 3.03Å; E755-V757 VanDerWaalsContact C-N 3.3Å; E755-V757 PolarHBondContact O-N 3.44Å; E755-L758 PolarHBondContact O-N 2.88Å; E755-S759 WeakPolarHBondContact O-CB 3.23Å; E755-S759 PolarHBondContact O-N 3.06Å
756	K	87.2	Confident	82.3	Confident	146 Å²	146	89.5 Å²	89.5	64%	0.635	43%	0.432	S	S	*	.	H	α-helix	trans	-59.3	-41.3	172.7	-72.7	170.5	-178	169.2	0	112.2	D752 V753 K760	D752-K756 WeakPolarHBondContact O-CG 3.23Å; D752-K756 PolarHBondContact O-N 3Å; D752-K756 VanDerWaalsContact O-N 3.13Å; V753-K756 PolarHBondContact O-N 3.12Å; K756-K760 VanDerWaalsContact O-CB 3.24Å; K756-K760 WeakPolarHBondContact O-CB 3.32Å; K756-K760 PolarHBondContact O-N 3.42Å
757	V	82.8	Confident	82	Confident	56 Å²	56	86.5 Å²	86.5	34%	0.339	42%	0.419	S	S	.	.	H	α-helix	trans	-66.7	-43.5	177.6	170.1	0	0	0	0	111	Y747 V753 A754 E755 K760 A761	Y747-V757 HydrophobicContact CE1-CG2 4.18Å; V753-V757 HydrophobicContact CG1-CG2 4.38Å; V753-V757 VanDerWaalsContact O-CG2 3.26Å; V753-V757 WeakPolarHBondContact O-CG2 3.44Å; V753-V757 PolarHBondContact O-N 3.05Å; A754-V757 PolarHBondContact O-N 3.27Å; E755-V757 VanDerWaalsContact C-N 3.3Å; E755-V757 PolarHBondContact O-N 3.44Å; V757-K760 PolarHBondContact O-N 2.91Å; V757-A761 VanDerWaalsContact O-CB 3.31Å; V757-A761 WeakPolarHBondContact O-CB 3.47Å; V757-A761 PolarHBondContact O-N 2.78Å
758	L	86.3	Confident	81.2	Confident	14 Å²	14	86.7 Å²	86.7	7%	0.073	43%	0.426	C	S	.	.	H	α-helix	trans	-65.3	-46.3	177.9	-71.4	167.5	0	0	0	111.7	L733 I738 V741 K742 A754 E755 K760 A761 E762	L733-L758 HydrophobicContact CD1-CD2 3.79Å; I738-L758 HydrophobicContact CB-CD1 4.4Å; I738-L758 HydrophobicContact CG1-CD1 4.39Å; I738-L758 HydrophobicContact CG1-CD2 4.42Å; I738-L758 HydrophobicContact CG2-CD1 3.9Å; V741-L758 HydrophobicContact CB-CD2 4.05Å; V741-L758 HydrophobicContact CG1-CD2 4.07Å; V741-L758 HydrophobicContact CG1-CG 4.23Å; V741-L758 HydrophobicContact CG2-CD2 4.12Å; K742-L758 HydrophobicContact CG-CD1 4.33Å; A754-L758 WeakPolarHBondContact O-CB 3.35Å; A754-L758 VanDerWaalsContact O-CG 3.27Å; A754-L758 WeakPolarHBondContact O-CG 3.44Å; A754-L758 PolarHBondContact O-N 3.31Å; E755-L758 PolarHBondContact O-N 2.88Å; L758-K760 VanDerWaalsContact C-N 3.33Å; L758-K760 PolarHBondContact O-N 3.24Å; L758-A761 WeakPolarHBondContact O-CB 3.18Å; L758-A761 PolarHBondContact O-N 3.27Å; L758-A761 VanDerWaalsContact O-N 3.11Å; L758-E762 WeakPolarHBondContact O-CG 3.44Å; L758-E762 PolarHBondContact O-N 3.18Å
759	S	87.3	Confident	80.3	Confident	54 Å²	54	85.4 Å²	85.4	38%	0.378	42%	0.422	S	S	.	.	H	α-helix	trans	-57.2	-47.7	174.7	-167	0	0	0	0	110.9	E755 A761 E762 E763	E755-S759 WeakPolarHBondContact O-CB 3.23Å; E755-S759 PolarHBondContact O-N 3.06Å; S759-A761 VanDerWaalsContact C-N 3.28Å; S759-A761 PolarHBondContact O-N 3.03Å; S759-E762 PolarHBondContact O-N 2.98Å; S759-E763 WeakPolarHBondContact O-CB 3.4Å; S759-E763 VanDerWaalsContact O-CG 3.3Å; S759-E763 WeakPolarHBondContact O-CG 3.41Å; S759-E763 PolarHBondContact O-N 2.96Å; S759-E763 PolarHBondContact OG-OE1 3.1Å
760	K	83	Confident	78.8	Confident	137 Å²	137	78.7 Å²	78.7	60%	0.596	40%	0.403	S	S	*	.	H	α-helix	trans	-64.2	-33.1	178.1	-170.1	166.4	-172.9	161.9	0	112.6	K756 V757 L758 N764	K756-K760 VanDerWaalsContact O-CB 3.24Å; K756-K760 WeakPolarHBondContact O-CB 3.32Å; K756-K760 PolarHBondContact O-N 3.42Å; V757-K760 PolarHBondContact O-N 2.91Å; L758-K760 VanDerWaalsContact C-N 3.33Å; L758-K760 PolarHBondContact O-N 3.24Å; K760-N764 VanDerWaalsContact CG-ND2 3.32Å; K760-N764 WeakPolarHBondContact CG-ND2 3.27Å; K760-N764 WeakPolarHBondContact O-CB 3.28Å; K760-N764 PolarHBondContact O-N 3.47Å; K760-N764 VanDerWaalsContact O-N 3.08Å; K760-N764 PolarHBondContact O-ND2 3.06Å
761	A	80.5	Confident	77.2	Confident	29 Å²	29	73.8 Å²	73.8	24%	0.24	39%	0.388	C	S	.	.	H	α-helix	trans	-69.3	-41	175.2	0	0	0	0	0	111.5	L695 L733 V757 L758 S759 A765	L695-A761 HydrophobicContact CD2-CB 4.38Å; L733-A761 HydrophobicContact CD1-CB 4.49Å; V757-A761 VanDerWaalsContact O-CB 3.31Å; V757-A761 WeakPolarHBondContact O-CB 3.47Å; V757-A761 PolarHBondContact O-N 2.78Å; L758-A761 WeakPolarHBondContact O-CB 3.18Å; L758-A761 PolarHBondContact O-N 3.27Å; L758-A761 VanDerWaalsContact O-N 3.11Å; S759-A761 VanDerWaalsContact C-N 3.28Å; S759-A761 PolarHBondContact O-N 3.03Å; A761-A765 WeakPolarHBondContact O-CA 3.44Å; A761-A765 WeakPolarHBondContact O-CB 3.49Å; A761-A765 PolarHBondContact O-N 3.2Å
762	E	83.9	Confident	75.4	Confident	46 Å²	46	72.9 Å²	72.9	22%	0.215	38%	0.379	C	S	.	.	H	α-helix	trans	-66.4	-40.8	175.2	-70.2	-172.8	163.2	0	0	112.3	K732 L733 L758 S759 A765	K732-E762 WeakPolarHBondContact CA-OE1 3.5Å; L733-E762 HydrophobicContact CD1-CG 4.12Å; L733-E762 HydrophobicContact CG-CG 3.88Å; L733-E762 PolarHBondContact N-OE1 2.91Å; L758-E762 WeakPolarHBondContact O-CG 3.44Å; L758-E762 PolarHBondContact O-N 3.18Å; S759-E762 PolarHBondContact O-N 2.98Å; E762-A765 WeakPolarHBondContact O-CB 3.26Å
763	E	81.1	Confident	73	Confident	121 Å²	121	69.8 Å²	69.8	57%	0.565	37%	0.365	S	S	*	.	H	α-helix	trans	-63.9	-46.8	177.6	-74.6	163.7	-151.8	0	0	112	S759 A765	S759-E763 WeakPolarHBondContact O-CB 3.4Å; S759-E763 VanDerWaalsContact O-CG 3.3Å; S759-E763 WeakPolarHBondContact O-CG 3.41Å; S759-E763 PolarHBondContact O-N 2.96Å; S759-E763 PolarHBondContact OG-OE1 3.1Å; E763-A765 VanDerWaalsContact C-N 3.33Å
764	N	75.1	Confident	70.2	Confident	107 Å²	107	70.4 Å²	70.4	57%	0.572	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	12.9	-177.6	-61.6	-66.2	0	0	0	113.4	K760 I766	K760-N764 VanDerWaalsContact CG-ND2 3.32Å; K760-N764 WeakPolarHBondContact CG-ND2 3.27Å; K760-N764 WeakPolarHBondContact O-CB 3.28Å; K760-N764 PolarHBondContact O-N 3.47Å; K760-N764 VanDerWaalsContact O-N 3.08Å; K760-N764 PolarHBondContact O-ND2 3.06Å; N764-I766 PolarHBondContact O-N 3.03Å
765	A	74.1	Confident	67.4	Low	39 Å²	39	76.3 Å²	76.3	32%	0.322	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-64	120.1	-179.1	0	0	0	0	0	111	A761 E762 E763	A761-A765 WeakPolarHBondContact O-CA 3.44Å; A761-A765 WeakPolarHBondContact O-CB 3.49Å; A761-A765 PolarHBondContact O-N 3.2Å; E762-A765 WeakPolarHBondContact O-CB 3.26Å; E763-A765 VanDerWaalsContact C-N 3.33Å
766	I	69	Low	64.2	Low	150 Å²	150	77.6 Å²	77.6	77%	0.769	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-97.9	123.6	170.4	-59.1	174.1	0	0	0	107.6	N764	N764-I766 PolarHBondContact O-N 3.03Å
767	K	67.3	Low	61.1	Low	73 Å²	73	79.9 Å²	79.9	32%	0.317	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-93.8	119.2	176.7	-66.5	-178.4	179.9	179.8	0	109.4	L728 S729 S730 Y769	L728-K767 PolarHBondContact O-NZ 3.31Å; S729-K767 VanDerWaalsContact C-NZ 3.26Å; S729-K767 PolarHBondContact O-NZ 3.47Å; S729-K767 VanDerWaalsContact O-NZ 3.09Å; S730-K767 VanDerWaalsContact C-NZ 3.32Å; S730-K767 WeakPolarHBondContact O-CE 3.45Å; S730-K767 PolarHBondContact O-NZ 3.29Å; K767-Y769 HydrophobicContact CB-CE2 4.11Å; K767-Y769 WeakPolarHBondContact CD-OH 3.34Å
768	V	63.1	Low	58.4	Low	62 Å²	62	86.2 Å²	86.2	38%	0.376	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-103.4	121.1	169	-176.9	0	0	0	0	107	L324	L324-V768 HydrophobicContact CD1-CB 4.4Å; L324-V768 HydrophobicContact CD1-CG1 4.16Å
769	Y	61.2	Low	57	Low	119 Å²	119	89.8 Å²	89.8	47%	0.467	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-94.6	119.6	179.3	-66.5	-68.7	0	0	0	108.8	V650 L728 K767	V650-Y769 HydrophobicContact CG1-CD1 3.47Å; V650-Y769 VanDerWaalsContact CG1-CD1 3.47Å; V650-Y769 HydrophobicContact CG1-CE1 4.3Å; V650-Y769 HydrophobicContact CG1-CG 3.69Å; L728-Y769 HydrophobicContact CD1-CD1 4.41Å; L728-Y769 HydrophobicContact CD1-CE1 3.79Å; L728-Y769 HydrophobicContact CD2-CD1 4.11Å; L728-Y769 HydrophobicContact CD2-CE1 3.61Å; L728-Y769 HydrophobicContact CG-CD1 4.49Å; L728-Y769 HydrophobicContact CG-CE1 3.64Å; K767-Y769 HydrophobicContact CB-CE2 4.11Å; K767-Y769 WeakPolarHBondContact CD-OH 3.34Å
770	C	53.7	Low	55.4	Low	57 Å²	57	91.7 Å²	91.7	39%	0.385	47%	0.467	S	S	.	.			trans	-107.4	125.7	167.6	-163.9	0	0	0	0	108.2
771	L	50.8	Low	53.9	Low	44 Å²	44	89.2 Å²	89.2	23%	0.23	46%	0.459	C	S	.	.			trans	-86.8	127.3	172.8	-83.7	164.3	0	0	0	108.6	V650 R652 A773	V650-L771 HydrophobicContact CB-CD2 3.75Å; V650-L771 HydrophobicContact CB-CG 4.33Å; R652-L771 HydrophobicContact CB-CD1 4.05Å; R652-L771 HydrophobicContact CG-CD1 3.54Å; L771-A773 PolarHBondContact O-N 3.35Å
772	V	47.8	Very low	52.3	Low	57 Å²	57	92.7 Å²	92.7	35%	0.345	47%	0.472	S	S	.	.	S	Bend	trans	-78.4	-4.1	176.9	-174.3	0	0	0	0	111.6	Y304 I316 K320 I774	Y304-V772 VanDerWaalsContact CB-O 3.28Å; Y304-V772 WeakPolarHBondContact CB-O 3.23Å; Y304-V772 HydrophobicContact CD1-CG1 3.52Å; Y304-V772 HydrophobicContact CE1-CG1 4.44Å; Y304-V772 HydrophobicContact CG-CG1 4.26Å; I316-V772 HydrophobicContact CG2-CG1 3.92Å; K320-V772 HydrophobicContact CG-CG1 4.47Å; K320-V772 HydrophobicContact CG-CG2 4.39Å; V772-I774 PolarHBondContact O-N 3.05Å
773	A	37.5	Very low	50.3	Low	18 Å²	18	95.6 Å²	95.6	15%	0.149	49%	0.488	C	S	.	.	S	Bend	trans	-81.8	100.6	167.1	0	0	0	0	0	108.8	L671 L771 E775	L671-A773 HydrophobicContact CD2-CB 4.5Å; L771-A773 PolarHBondContact O-N 3.35Å; A773-E775 PolarHBondContact O-N 3.37Å; A773-E775 VanDerWaalsContact O-N 3.09Å
774	I	28.6	Very low	48.3	Very low	48 Å²	48	93.9 Å²	93.9	25%	0.246	48%	0.483	C	S	.	.			trans	-58.8	116.5	173.2	-63.2	177.1	0	0	0	107.4	P301 Y304 V772 Y776	P301-I774 HydrophobicContact CB-CB 4.35Å; Y304-I774 HydrophobicContact CD2-CD1 3.9Å; Y304-I774 HydrophobicContact CD2-CG1 4.45Å; Y304-I774 HydrophobicContact CE1-CD1 4.31Å; Y304-I774 HydrophobicContact CE2-CD1 3.39Å; Y304-I774 HydrophobicContact CE2-CG1 4.35Å; V772-I774 PolarHBondContact O-N 3.05Å; I774-Y776 PolarHBondContact O-N 3.28Å
775	E	25.5	Very low	46.4	Very low	124 Å²	124	93 Å²	93	58%	0.579	48%	0.477	S	S	*	.			trans	-62.2	120.1	162.3	-80.2	177	176.1	0	0	106.9	R652 A773 K777	R652-E775 IonicContact CZ-OE1 2.85Å; R652-E775 VanDerWaalsContact NH1-CD 3.34Å; R652-E775 IonicContact NH1-OE1 3.98Å; R652-E775 PolarHBondContact NH1-OE1 2.83Å; A773-E775 PolarHBondContact O-N 3.37Å; A773-E775 VanDerWaalsContact O-N 3.09Å; E775-K777 VanDerWaalsContact C-N 3.31Å; E775-K777 PolarHBondContact O-N 3.05Å
776	Y	22.8	Very low	44.2	Very low	128 Å²	128	97.2 Å²	97.2	50%	0.502	49%	0.489	S	S	.	.			trans	-54.7	102.9	162.4	-68.9	-88.3	0	0	0	107.3	P301 I774 V778	P301-Y776 HydrophobicContact CB-CE1 4.41Å; I774-Y776 PolarHBondContact O-N 3.28Å; Y776-V778 VanDerWaalsContact C-N 3.33Å; Y776-V778 PolarHBondContact O-N 3.35Å
777	K	22	Very low	42.2	Very low	195 Å²	195	92.8 Å²	92.8	85%	0.848	47%	0.465	S	S	*	.			trans	-70.5	104.6	142.5	-90.2	-174.8	173.7	-178.5	0	104.4	E775	E775-K777 VanDerWaalsContact C-N 3.31Å; E775-K777 PolarHBondContact O-N 3.05Å
778	V	25.6	Very low	39.9	Very low	188 Å²	188	94.5 Å²	94.5	100%	1.139	48%	0.479	S	S	*	.			trans	-72.4	0	151.5	-176.6	0	0	0	0	106.5	Y776	Y776-V778 VanDerWaalsContact C-N 3.33Å; Y776-V778 PolarHBondContact O-N 3.35Å

Retrieved 778 of 778 residues in 1535.6 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).