A0A3Q0KT42_SCHMA Loading...

Rab GTPase

AlphaFold DB , UniProt , Accession A0A3Q0KT42, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 557 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.4	Very low	37.5	Very low	252 Å²	252	158.5 Å²	158.5	100%	1.241	81%	0.811	S	S	*	*				0	13.8	0	-72.1	-71.5	-159.2	0	0	113.2
2	G	40.2	Very low	37.2	Very low	67 Å²	67	159.9 Å²	159.9	69%	0.691	81%	0.812	S	S	*	*			trans	-111.1	1.7	-171	0	0	0	0	0	116.6
3	E	37.4	Very low	36.8	Very low	186 Å²	186	160.7 Å²	160.7	87%	0.869	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-2.6	-172.8	-76.4	-178.2	149.3	0	0	115
4	N	39.7	Very low	36.5	Very low	149 Å²	149	159.6 Å²	159.6	80%	0.797	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	6.6	-172.1	-80.7	-13.7	0	0	0	116.3
5	L	39.7	Very low	36.3	Very low	147 Å²	147	160 Å²	160	77%	0.77	82%	0.816	S	S	*	*	S	Bend	trans	-99.7	-3.5	-174.4	-88.3	157.4	0	0	0	115.9
6	I	40.5	Very low	36.1	Very low	138 Å²	138	156 Å²	156	71%	0.708	81%	0.807	S	S	*	*	S	Bend	trans	-96.1	-24.4	-177.1	-61.3	176.3	0	0	0	112.4
7	N	35.2	Very low	35.9	Very low	146 Å²	146	156.3 Å²	156.3	78%	0.781	81%	0.81	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-10	-176.5	-79.3	-15.4	0	0	0	115.6
8	E	36.6	Very low	35.7	Very low	156 Å²	156	158.8 Å²	158.8	73%	0.729	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-12.9	178.1	-82.5	-168.6	154.3	0	0	114.6
9	R	35.8	Very low	35.4	Very low	221 Å²	221	153 Å²	153	83%	0.834	80%	0.797	S	S	*	*	S	Bend	trans	-86.7	-11.6	179.5	-101.5	-177.2	179.3	179.2	0.9	115.6
10	F	33.1	Very low	35.2	Very low	180 Å²	180	152.5 Å²	152.5	79%	0.789	80%	0.796	S	S	*	*	S	Bend	trans	-94.2	-7.8	177	-86.4	-79.8	0	0	0	114.7
11	S	35	Very low	35	Very low	102 Å²	102	155.6 Å²	155.6	71%	0.713	80%	0.799	S	S	*	*	S	Bend	trans	-94.7	-2.5	-179.6	-169.8	0	0	0	0	115.1
12	Q	34	Very low	34.6	Very low	175 Å²	175	148.9 Å²	148.9	82%	0.818	77%	0.771	S	S	*	*	S	Bend	trans	-111.2	1.4	-177.2	-82.3	-169.3	-2.1	0	0	115.8
13	M	31.4	Very low	34.2	Very low	170 Å²	170	151 Å²	151	84%	0.837	77%	0.771	S	S	*	*	S	Bend	trans	-98.3	-5	177.6	-84.3	-165.5	150.9	0	0	115.6	N15	M13-N15 PolarHBondContact O-N 3.41Å
14	D	32.8	Very low	33.8	Very low	145 Å²	145	150.3 Å²	150.3	78%	0.775	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-0.2	-172.6	-85.8	-17.5	0	0	0	116.5
15	N	33.2	Very low	33.4	Very low	166 Å²	166	149.6 Å²	149.6	89%	0.888	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.6	15	-170.8	-82	-25.6	0	0	0	117.7	M13	M13-N15 PolarHBondContact O-N 3.41Å
16	S	33	Very low	32.9	Very low	96 Å²	96	148 Å²	148	67%	0.671	76%	0.761	S	S	*	*	S	Bend	trans	-148.6	54.3	177.6	70.3	0	0	0	0	114.5
17	N	33.1	Very low	32.6	Very low	161 Å²	161	150.7 Å²	150.7	86%	0.861	77%	0.768	S	S	*	*			trans	-166	46.6	152.6	-106.9	-9.2	0	0	0	111.6	G19	N17-G19 PolarHBondContact O-N 2.97Å
18	K	33.4	Very low	32.7	Very low	201 Å²	201	155.1 Å²	155.1	87%	0.874	77%	0.773	S	S	*	*			trans	-73.6	77.6	144.6	-75.8	-178.1	-179.2	173	0	105.6	D20	K18-D20 PolarHBondContact O-N 3.01Å
19	G	28.5	Very low	32.7	Very low	49 Å²	49	155 Å²	155	51%	0.505	78%	0.776	S	S	.	*			trans	-57.5	99.4	156.8	0	0	0	0	0	104.5	N17 Y21	N17-G19 PolarHBondContact O-N 2.97Å; G19-Y21 PolarHBondContact O-N 3.39Å
20	D	31.7	Very low	32.8	Very low	142 Å²	142	148 Å²	148	76%	0.759	76%	0.761	S	S	*	*			trans	-51.5	98.5	161	-77.3	-33.4	0	0	0	104.6	K18 V22	K18-D20 PolarHBondContact O-N 3.01Å; D20-V22 HydrophobicContact CB-CG2 4.5Å; D20-V22 PolarHBondContact O-N 3.17Å
21	Y	30.3	Very low	32.9	Very low	219 Å²	219	150.1 Å²	150.1	86%	0.859	76%	0.764	S	S	*	*			trans	-61.4	89.1	156.8	-89.5	-90.8	0	0	0	103.5	G19 T23	G19-Y21 PolarHBondContact O-N 3.39Å; Y21-T23 PolarHBondContact O-N 3.11Å
22	V	31.8	Very low	33.2	Very low	111 Å²	111	150.6 Å²	150.6	67%	0.673	76%	0.762	S	S	*	*			trans	-56.3	87.2	157.4	179.5	0	0	0	0	103.2	D20 E24	D20-V22 HydrophobicContact CB-CG2 4.5Å; D20-V22 PolarHBondContact O-N 3.17Å; V22-E24 HydrophobicContact CG1-CG 4.27Å; V22-E24 PolarHBondContact O-N 3.35Å
23	T	31.6	Very low	33.4	Very low	110 Å²	110	152 Å²	152	68%	0.675	76%	0.76	S	S	*	*			trans	-55.4	100	151.8	39	0	0	0	0	103.1	Y21 I25	Y21-T23 PolarHBondContact O-N 3.11Å; T23-I25 PolarHBondContact O-N 3.01Å
24	E	29.4	Very low	33.7	Very low	173 Å²	173	151.7 Å²	151.7	81%	0.808	75%	0.754	S	S	*	*			trans	-59.6	80.9	163.2	-74.5	-173.3	151.2	0	0	105.6	V22 P26	V22-E24 HydrophobicContact CG1-CG 4.27Å; V22-E24 PolarHBondContact O-N 3.35Å; E24-P26 WeakPolarHBondContact O-CD 3.4Å
25	I	30.5	Very low	33.8	Very low	134 Å²	134	148 Å²	148	69%	0.687	74%	0.743	S	S	*	*			trans	-61.1	110.5	160.2	-62.4	171.8	0	0	0	101.9	T23 K27	T23-I25 PolarHBondContact O-N 3.01Å; I25-K27 PolarHBondContact O-N 3.36Å
26	P	30	Very low	34.4	Very low	113 Å²	113	143 Å²	143	73%	0.734	72%	0.722	S	S	*	*			trans	-56.3	112.6	-177.9	23.2	-32.1	0	0	0	105.2	E24 R28	E24-P26 WeakPolarHBondContact O-CD 3.4Å; P26-R28 VanDerWaalsContact C-N 3.28Å; P26-R28 PolarHBondContact O-N 3.35Å
27	K	34.4	Very low	34.8	Very low	195 Å²	195	145.1 Å²	145.1	85%	0.848	72%	0.721	S	S	*	*			trans	-49.3	103.8	177.4	-80	178.1	178.4	172.6	0	105.2	I25 I29	I25-K27 PolarHBondContact O-N 3.36Å; K27-I29 VanDerWaalsContact C-N 3.26Å; K27-I29 PolarHBondContact O-N 3.31Å
28	R	37.2	Very low	35.2	Very low	239 Å²	239	142.8 Å²	142.8	90%	0.902	71%	0.707	S	S	*	*			trans	-59	101.2	178.6	-155.7	178	-166.3	178.5	3.4	102.9	P26 S30	P26-R28 VanDerWaalsContact C-N 3.28Å; P26-R28 PolarHBondContact O-N 3.35Å; R28-S30 PolarHBondContact O-N 3.07Å
29	I	35.7	Very low	35.7	Very low	153 Å²	153	136.2 Å²	136.2	79%	0.785	69%	0.687	S	S	*	*			trans	-61.2	95.2	175.9	-65.5	171.7	0	0	0	103.5	K27 R31	K27-I29 VanDerWaalsContact C-N 3.26Å; K27-I29 PolarHBondContact O-N 3.31Å; I29-R31 VanDerWaalsContact C-N 3.3Å; I29-R31 PolarHBondContact O-N 2.92Å
30	S	38.3	Very low	36.4	Very low	74 Å²	74	138.8 Å²	138.8	52%	0.517	69%	0.689	S	S	.	*			trans	-58.3	101.6	174.9	52.1	0	0	0	0	105	R28 V32	R28-S30 PolarHBondContact O-N 3.07Å; S30-V32 PolarHBondContact O-N 3.41Å
31	R	36.5	Very low	36.9	Very low	225 Å²	225	135.1 Å²	135.1	85%	0.849	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	3.5	174.5	-74.9	-178.3	173.4	168.8	-2.4	112.9	I29 R33 K34	I29-R31 VanDerWaalsContact C-N 3.3Å; I29-R31 PolarHBondContact O-N 2.92Å; R31-R33 PolarHBondContact O-N 3.19Å; R31-K34 PolarHBondContact O-N 2.72Å
32	V	40.1	Very low	37.4	Very low	112 Å²	112	129.3 Å²	129.3	68%	0.679	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-27.6	175.6	-176.4	0	0	0	0	112.6	S30 K34	S30-V32 PolarHBondContact O-N 3.41Å; V32-K34 VanDerWaalsContact C-N 3.35Å; V32-K34 PolarHBondContact O-N 2.96Å
33	R	37.6	Very low	38	Very low	203 Å²	203	128.1 Å²	128.1	77%	0.766	66%	0.655	S	S	*	*	H	α-helix	trans	-73.9	-16.1	178.9	-77.4	-171.9	179.2	139	1.1	115.6	R31 S36	R31-R33 PolarHBondContact O-N 3.19Å; R33-S36 PolarHBondContact O-OG 3.41Å
34	K	37.8	Very low	38.4	Very low	164 Å²	164	129.4 Å²	129.4	71%	0.713	66%	0.657	S	S	*	*	H	α-helix	trans	-85.8	-15.4	177.1	-85.8	-169.5	173.7	-173.7	0	114.2	R31 V32	R31-K34 PolarHBondContact O-N 2.72Å; V32-K34 VanDerWaalsContact C-N 3.35Å; V32-K34 PolarHBondContact O-N 2.96Å
35	A	36.2	Very low	38.8	Very low	67 Å²	67	130.7 Å²	130.7	55%	0.554	66%	0.656	S	S	*	*	H	α-helix	trans	-78	-34.5	177.2	0	0	0	0	0	112.2	I38 S39	A35-I38 PolarHBondContact O-N 2.61Å; A35-S39 PolarHBondContact O-N 2.99Å
36	S	44.6	Very low	39.2	Very low	63 Å²	63	132.9 Å²	132.9	44%	0.441	66%	0.66	S	S	.	*	H	α-helix	trans	-71.5	-30	179.7	53.9	0	0	0	0	113.7	R33 I38 S39 D40	R33-S36 PolarHBondContact O-OG 3.41Å; S36-I38 VanDerWaalsContact C-N 3.29Å; S36-I38 PolarHBondContact O-N 3.01Å; S36-S39 PolarHBondContact O-N 3.29Å; S36-S39 PolarHBondContact O-OG 2.93Å; S36-D40 PolarHBondContact O-N 3.24Å
37	E	42.8	Very low	39.6	Very low	140 Å²	140	134.2 Å²	134.2	65%	0.654	66%	0.661	S	S	*	*	H	α-helix	trans	-70.6	-27	175.2	-72.4	178.7	174.1	0	0	112.2	S41	E37-S41 PolarHBondContact O-N 3.43Å
38	I	40.8	Very low	39.5	Very low	111 Å²	111	133.3 Å²	133.3	57%	0.569	66%	0.657	S	S	*	*	H	α-helix	trans	-77.4	-36	178.1	-59.6	171.4	0	0	0	110.5	A35 S36 D40 S41 T42	A35-I38 PolarHBondContact O-N 2.61Å; S36-I38 VanDerWaalsContact C-N 3.29Å; S36-I38 PolarHBondContact O-N 3.01Å; I38-D40 VanDerWaalsContact C-N 3.27Å; I38-D40 PolarHBondContact O-N 3.4Å; I38-S41 PolarHBondContact O-N 2.94Å; I38-S41 PolarHBondContact O-OG 3.25Å; I38-T42 PolarHBondContact O-N 2.94Å; I38-T42 PolarHBondContact O-OG1 3.15Å; I38-T42 VanDerWaalsContact O-OG1 3.06Å
39	S	44.1	Very low	39.6	Very low	64 Å²	64	127.4 Å²	127.4	45%	0.448	65%	0.65	S	S	.	*	H	α-helix	trans	-65.4	-29.1	175.4	53.3	0	0	0	0	113.6	A35 S36 T42 T43	A35-S39 PolarHBondContact O-N 2.99Å; S36-S39 PolarHBondContact O-N 3.29Å; S36-S39 PolarHBondContact O-OG 2.93Å; S39-T42 PolarHBondContact O-N 3.34Å; S39-T43 PolarHBondContact O-N 2.92Å; S39-T43 PolarHBondContact O-OG1 2.93Å
40	D	43.1	Very low	39.9	Very low	102 Å²	102	132 Å²	132	55%	0.545	66%	0.657	S	S	.	*	H	α-helix	trans	-76.2	-30.7	176.6	-73.4	-9.3	0	0	0	112.1	S36 I38 T42 T43 L44	S36-D40 PolarHBondContact O-N 3.24Å; I38-D40 VanDerWaalsContact C-N 3.27Å; I38-D40 PolarHBondContact O-N 3.4Å; D40-T42 VanDerWaalsContact C-N 3.31Å; D40-T42 PolarHBondContact O-N 3.42Å; D40-T43 PolarHBondContact O-N 2.86Å; D40-T43 PolarHBondContact O-OG1 3.18Å; D40-T43 VanDerWaalsContact O-OG1 3.1Å; D40-L44 PolarHBondContact O-N 3.13Å; D40-L44 VanDerWaalsContact O-N 3.15Å
41	S	42.3	Very low	40	Very low	65 Å²	65	134.4 Å²	134.4	46%	0.455	67%	0.669	S	S	.	*	H	α-helix	trans	-68.4	-30.2	173.4	63.5	0	0	0	0	113	E37 I38	E37-S41 PolarHBondContact O-N 3.43Å; I38-S41 PolarHBondContact O-N 2.94Å; I38-S41 PolarHBondContact O-OG 3.25Å
42	T	41.5	Very low	40.2	Very low	98 Å²	98	130 Å²	130	60%	0.601	67%	0.668	S	S	*	*	H	α-helix	trans	-77.2	-27.2	176.7	-29.9	0	0	0	0	112.7	I38 S39 D40	I38-T42 PolarHBondContact O-N 2.94Å; I38-T42 PolarHBondContact O-OG1 3.15Å; I38-T42 VanDerWaalsContact O-OG1 3.06Å; S39-T42 PolarHBondContact O-N 3.34Å; D40-T42 VanDerWaalsContact C-N 3.31Å; D40-T42 PolarHBondContact O-N 3.42Å
43	T	44.8	Very low	40.4	Very low	85 Å²	85	129.3 Å²	129.3	52%	0.521	67%	0.668	S	S	.	*	H	α-helix	trans	-81.1	-23.9	174.5	52.3	0	0	0	0	113	S39 D40 Y45 K46	S39-T43 PolarHBondContact O-N 2.92Å; S39-T43 PolarHBondContact O-OG1 2.93Å; D40-T43 PolarHBondContact O-N 2.86Å; D40-T43 PolarHBondContact O-OG1 3.18Å; D40-T43 VanDerWaalsContact O-OG1 3.1Å; T43-Y45 VanDerWaalsContact C-N 3.26Å; T43-Y45 PolarHBondContact O-N 3.44Å; T43-K46 PolarHBondContact O-N 3.05Å
44	L	39.2	Very low	40.5	Very low	138 Å²	138	126.5 Å²	126.5	72%	0.723	67%	0.667	S	S	*	*	H	α-helix	trans	-69.3	-19.9	177.5	-122.9	131.4	0	0	0	114.2	D40	D40-L44 PolarHBondContact O-N 3.13Å; D40-L44 VanDerWaalsContact O-N 3.15Å
45	Y	36.6	Very low	41	Very low	199 Å²	199	122.5 Å²	122.5	78%	0.78	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-83.2	-9.3	175.2	-92.3	-86.6	0	0	0	114.7	T43	T43-Y45 VanDerWaalsContact C-N 3.26Å; T43-Y45 PolarHBondContact O-N 3.44Å
46	K	39.7	Very low	41.6	Very low	180 Å²	180	124.8 Å²	124.8	78%	0.783	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-83.7	-12.2	178.8	-74.8	-170.4	176.3	-178.7	0	114.6	T43	T43-K46 PolarHBondContact O-N 3.05Å
47	N	38.7	Very low	41.9	Very low	141 Å²	141	128 Å²	128	75%	0.754	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-117.8	29.4	-171.9	-71.8	-14.1	0	0	0	115	P49	N47-P49 WeakPolarHBondContact O-CD 3.43Å
48	K	32.1	Very low	42.5	Very low	176 Å²	176	127.4 Å²	127.4	77%	0.765	67%	0.674	S	S	*	*			trans	-83.6	109	160.4	-83.2	-169.7	177.7	-179.6	0	108.8	R50	K48-R50 PolarHBondContact O-N 3.41Å; K48-R50 VanDerWaalsContact O-N 3.1Å
49	P	39.6	Very low	43	Very low	116 Å²	116	127.9 Å²	127.9	75%	0.753	68%	0.677	S	S	*	*			trans	-60.3	120.2	170.7	26.1	-31.1	0	0	0	106.5	N47 T51	N47-P49 WeakPolarHBondContact O-CD 3.43Å; P49-T51 PolarHBondContact O-N 2.95Å
50	R	41.3	Very low	43.2	Very low	248 Å²	248	128.5 Å²	128.5	94%	0.936	68%	0.675	S	S	*	*			trans	-50.1	113.9	171.4	-87.8	178.1	169.5	158.3	-3.7	107	K48 T52	K48-R50 PolarHBondContact O-N 3.41Å; K48-R50 VanDerWaalsContact O-N 3.1Å; R50-T52 PolarHBondContact O-N 3.47Å
51	T	40.4	Very low	44	Very low	125 Å²	125	127.6 Å²	127.6	77%	0.767	67%	0.673	S	S	*	*			trans	-44	110.8	172.2	45.9	0	0	0	0	108.7	P49 S53	P49-T51 PolarHBondContact O-N 2.95Å; T51-S53 VanDerWaalsContact C-N 3.3Å; T51-S53 PolarHBondContact O-N 2.85Å
52	T	40.6	Very low	44.9	Very low	133 Å²	133	129.1 Å²	129.1	82%	0.816	68%	0.684	S	S	*	*			trans	15.8	69.3	146.4	58.2	0	0	0	0	114.2	R50 L54	R50-T52 PolarHBondContact O-N 3.47Å; T52-L54 PolarHBondContact O-N 2.92Å
53	S	44.2	Very low	45.9	Very low	97 Å²	97	128.7 Å²	128.7	68%	0.678	69%	0.685	S	S	*	*			trans	-63.1	123.6	156.3	52.9	0	0	0	0	104.6	T51	T51-S53 VanDerWaalsContact C-N 3.3Å; T51-S53 PolarHBondContact O-N 2.85Å
54	L	40.9	Very low	46.8	Very low	144 Å²	144	129.2 Å²	129.2	75%	0.754	68%	0.68	S	S	*	*			trans	-34.8	140.3	168.6	-108.4	78.8	0	0	0	109.6	T52 L56	T52-L54 PolarHBondContact O-N 2.92Å; L54-L56 PolarHBondContact O-N 3.32Å
55	P	47.7	Very low	47.8	Very low	80 Å²	80	126.6 Å²	126.6	52%	0.519	67%	0.666	S	S	.	*			trans	-55.3	110.1	-177.1	-12.6	24.9	0	0	0	107.5	N57 D58	P55-N57 HydrophobicContact CB-CB 4.37Å; P55-N57 PolarHBondContact O-N 3.39Å; P55-D58 PolarHBondContact O-N 3.5Å
56	L	49	Very low	49.1	Very low	116 Å²	116	123.4 Å²	123.4	61%	0.607	66%	0.659	S	S	*	*	H	α-helix	trans	-50.8	-22.1	173.6	-99.1	146.4	0	0	0	111	L54 D58 L59 L60	L54-L56 PolarHBondContact O-N 3.32Å; L56-D58 VanDerWaalsContact C-N 3.27Å; L56-D58 PolarHBondContact O-N 3.09Å; L56-L59 PolarHBondContact O-N 3.47Å; L56-L60 VanDerWaalsContact O-CG 3.31Å; L56-L60 WeakPolarHBondContact O-CG 3.47Å; L56-L60 PolarHBondContact O-N 3.06Å; L56-L60 VanDerWaalsContact O-N 3.12Å
57	N	51.4	Low	50.2	Low	129 Å²	129	117.2 Å²	117.2	69%	0.69	64%	0.641	S	S	*	*	H	α-helix	trans	-54.9	-32.3	172.3	-75.2	-0.5	0	0	0	114.9	P55 L60	P55-N57 HydrophobicContact CB-CB 4.37Å; P55-N57 PolarHBondContact O-N 3.39Å; N57-L60 PolarHBondContact O-N 3.02Å
58	D	53.8	Low	51.3	Low	128 Å²	128	115.3 Å²	115.3	68%	0.684	63%	0.626	S	S	*	*	H	α-helix	trans	-77.7	-27.4	179.4	-72.9	-15.2	0	0	0	112.5	P55 L56 L60	P55-D58 PolarHBondContact O-N 3.5Å; L56-D58 VanDerWaalsContact C-N 3.27Å; L56-D58 PolarHBondContact O-N 3.09Å; D58-L60 VanDerWaalsContact C-N 3.34Å
59	L	51.2	Low	52.7	Low	122 Å²	122	116.4 Å²	116.4	64%	0.639	63%	0.625	S	S	*	*	H	α-helix	trans	-77.4	-23.2	172	-101.9	145.5	0	0	0	112.2	L56 T61	L56-L59 PolarHBondContact O-N 3.47Å; L59-T61 VanDerWaalsContact C-N 3.27Å; L59-T61 PolarHBondContact O-N 3.45Å
60	L	50.1	Low	53.8	Low	76 Å²	76	115.8 Å²	115.8	40%	0.398	62%	0.619	S	S	.	*			trans	-91.1	48.5	178.1	-63.7	175.8	0	0	0	111.9	L56 N57 D58 S62 L65	L56-L60 VanDerWaalsContact O-CG 3.31Å; L56-L60 WeakPolarHBondContact O-CG 3.47Å; L56-L60 PolarHBondContact O-N 3.06Å; L56-L60 VanDerWaalsContact O-N 3.12Å; N57-L60 PolarHBondContact O-N 3.02Å; D58-L60 VanDerWaalsContact C-N 3.34Å; L60-S62 PolarHBondContact O-N 2.99Å; L60-L65 HydrophobicContact CB-CD1 4.06Å; L60-L65 HydrophobicContact CB-CG 4.32Å; L60-L65 HydrophobicContact CD2-CD1 4.41Å; L60-L65 HydrophobicContact CD2-CD2 3.82Å; L60-L65 HydrophobicContact CD2-CG 4.03Å
61	T	58.4	Low	54.7	Low	84 Å²	84	111.3 Å²	111.3	52%	0.515	61%	0.608	S	S	.	*			trans	-55.5	141	167.3	22	0	0	0	0	109.5	L59 S63 F64 L65	L59-T61 VanDerWaalsContact C-N 3.27Å; L59-T61 PolarHBondContact O-N 3.45Å; T61-S63 PolarHBondContact O-N 3.23Å; T61-S63 VanDerWaalsContact O-N 3.07Å; T61-F64 PolarHBondContact O-N 3.35Å; T61-L65 PolarHBondContact O-N 3.45Å
62	S	60.9	Low	55.4	Low	97 Å²	97	109 Å²	109	68%	0.678	59%	0.589	S	S	*	*	H	α-helix	trans	-53.5	-33.9	179.8	64.2	0	0	0	0	112	L60 Q66	L60-S62 PolarHBondContact O-N 2.99Å; S62-Q66 WeakPolarHBondContact O-CB 3.45Å; S62-Q66 PolarHBondContact O-N 3.32Å
63	S	63.3	Low	56.3	Low	88 Å²	88	107.3 Å²	107.3	62%	0.615	58%	0.578	S	S	*	*	H	α-helix	trans	-66.4	-40.2	174.8	-170.6	0	0	0	0	113.3	T61 Q66 A67	T61-S63 PolarHBondContact O-N 3.23Å; T61-S63 VanDerWaalsContact O-N 3.07Å; S63-Q66 PolarHBondContact O-N 3.42Å; S63-A67 VanDerWaalsContact O-CB 3.29Å; S63-A67 WeakPolarHBondContact O-CB 3.36Å; S63-A67 PolarHBondContact O-N 2.97Å
64	F	63.8	Low	57.2	Low	97 Å²	97	106.9 Å²	106.9	43%	0.425	58%	0.575	S	S	.	*	H	α-helix	trans	-70.1	-46.5	177.7	-172.1	-96.2	0	0	0	110.3	T61 Q66 A67 F68	T61-F64 PolarHBondContact O-N 3.35Å; F64-Q66 VanDerWaalsContact C-N 3.26Å; F64-Q66 PolarHBondContact O-N 2.92Å; F64-A67 PolarHBondContact O-N 3.31Å; F64-F68 AromaticContact CD1-CD2 3.88Å; F64-F68 HydrophobicContact CD1-CD2 3.88Å; F64-F68 HydrophobicContact CD1-CE2 4.41Å; F64-F68 AromaticContact CE1-CD2 3.29Å; F64-F68 HydrophobicContact CE1-CD2 3.29Å; F64-F68 AromaticContact CE1-CE2 3.41Å; F64-F68 HydrophobicContact CE1-CE2 3.41Å; F64-F68 VanDerWaalsContact CE1-CE2 3.41Å; F64-F68 HydrophobicContact CE1-CG 4.28Å; F64-F68 HydrophobicContact CE1-CZ 4.43Å; F64-F68 HydrophobicContact CE2-CD2 4.17Å; F64-F68 HydrophobicContact CE2-CE2 4.14Å; F64-F68 AromaticContact CZ-CD2 3.49Å; F64-F68 HydrophobicContact CZ-CD2 3.49Å; F64-F68 VanDerWaalsContact CZ-CD2 3.49Å; F64-F68 AromaticContact CZ-CE2 3.26Å; F64-F68 HydrophobicContact CZ-CE2 3.26Å; F64-F68 HydrophobicContact CZ-CZ 4.4Å; F64-F68 WeakPolarHBondContact O-CB 3.46Å; F64-F68 PolarHBondContact O-N 3.43Å
65	L	60.5	Low	58.2	Low	83 Å²	83	103.2 Å²	103.2	44%	0.435	56%	0.555	S	S	.	*	H	α-helix	trans	-59.4	-36	174.1	-83.1	176.4	0	0	0	112.5	L60 T61 R69	L60-L65 HydrophobicContact CB-CD1 4.06Å; L60-L65 HydrophobicContact CB-CG 4.32Å; L60-L65 HydrophobicContact CD2-CD1 4.41Å; L60-L65 HydrophobicContact CD2-CD2 3.82Å; L60-L65 HydrophobicContact CD2-CG 4.03Å; T61-L65 PolarHBondContact O-N 3.45Å; L65-R69 VanDerWaalsContact O-CB 3.27Å; L65-R69 WeakPolarHBondContact O-CB 3.39Å; L65-R69 WeakPolarHBondContact O-CG 3.46Å; L65-R69 PolarHBondContact O-N 3.44Å
66	Q	63.2	Low	59.2	Low	132 Å²	132	107 Å²	107	62%	0.617	56%	0.561	S	S	*	*	H	α-helix	trans	-74.7	-40.9	177.1	-169.7	157.8	-3.2	0	0	112	S62 S63 F64 R69 V70	S62-Q66 WeakPolarHBondContact O-CB 3.45Å; S62-Q66 PolarHBondContact O-N 3.32Å; S63-Q66 PolarHBondContact O-N 3.42Å; F64-Q66 VanDerWaalsContact C-N 3.26Å; F64-Q66 PolarHBondContact O-N 2.92Å; Q66-R69 PolarHBondContact O-N 3.45Å; Q66-V70 VanDerWaalsContact O-CG2 3.3Å; Q66-V70 WeakPolarHBondContact O-CG2 3.45Å; Q66-V70 PolarHBondContact O-N 3.27Å
67	A	62.4	Low	60.4	Low	49 Å²	49	105.3 Å²	105.3	41%	0.405	56%	0.556	S	S	.	*	H	α-helix	trans	-63.1	-41.8	172.6	0	0	0	0	0	111.8	S63 F64 V70 H71	S63-A67 VanDerWaalsContact O-CB 3.29Å; S63-A67 WeakPolarHBondContact O-CB 3.36Å; S63-A67 PolarHBondContact O-N 2.97Å; F64-A67 PolarHBondContact O-N 3.31Å; A67-V70 PolarHBondContact O-N 2.92Å; A67-H71 PolarHBondContact O-N 3.27Å
68	F	62.5	Low	61.7	Low	101 Å²	101	103.6 Å²	103.6	44%	0.443	55%	0.547	S	S	.	.	H	α-helix	trans	-62.1	-45.7	172.5	-117.4	-94.8	0	0	0	111.3	F64 V70 H72	F64-F68 AromaticContact CD1-CD2 3.88Å; F64-F68 HydrophobicContact CD1-CD2 3.88Å; F64-F68 HydrophobicContact CD1-CE2 4.41Å; F64-F68 AromaticContact CE1-CD2 3.29Å; F64-F68 HydrophobicContact CE1-CD2 3.29Å; F64-F68 AromaticContact CE1-CE2 3.41Å; F64-F68 HydrophobicContact CE1-CE2 3.41Å; F64-F68 VanDerWaalsContact CE1-CE2 3.41Å; F64-F68 HydrophobicContact CE1-CG 4.28Å; F64-F68 HydrophobicContact CE1-CZ 4.43Å; F64-F68 HydrophobicContact CE2-CD2 4.17Å; F64-F68 HydrophobicContact CE2-CE2 4.14Å; F64-F68 AromaticContact CZ-CD2 3.49Å; F64-F68 HydrophobicContact CZ-CD2 3.49Å; F64-F68 VanDerWaalsContact CZ-CD2 3.49Å; F64-F68 AromaticContact CZ-CE2 3.26Å; F64-F68 HydrophobicContact CZ-CE2 3.26Å; F64-F68 HydrophobicContact CZ-CZ 4.4Å; F64-F68 WeakPolarHBondContact O-CB 3.46Å; F64-F68 PolarHBondContact O-N 3.43Å; F68-V70 VanDerWaalsContact C-N 3.28Å; F68-V70 PolarHBondContact O-N 3.16Å; F68-H72 HydrophobicContact CD1-CB 4.4Å; F68-H72 WeakPolarHBondContact O-CB 3.25Å; F68-H72 PolarHBondContact O-N 2.96Å
69	R	60.7	Low	62.9	Low	199 Å²	199	102 Å²	102	75%	0.751	54%	0.538	S	S	*	.	H	α-helix	trans	-59.7	-36	175.6	-91.1	-176.3	170.3	166.7	-1.5	112.3	L65 Q66 V73	L65-R69 VanDerWaalsContact O-CB 3.27Å; L65-R69 WeakPolarHBondContact O-CB 3.39Å; L65-R69 WeakPolarHBondContact O-CG 3.46Å; L65-R69 PolarHBondContact O-N 3.44Å; Q66-R69 PolarHBondContact O-N 3.45Å; R69-V73 WeakPolarHBondContact O-CG2 3.37Å
70	V	64.2	Low	64.4	Low	103 Å²	103	100 Å²	100	62%	0.624	53%	0.528	S	S	*	.	H	α-helix	trans	-80.9	-43.2	-177.7	173.8	0	0	0	0	112	Q66 A67 F68	Q66-V70 VanDerWaalsContact O-CG2 3.3Å; Q66-V70 WeakPolarHBondContact O-CG2 3.45Å; Q66-V70 PolarHBondContact O-N 3.27Å; A67-V70 PolarHBondContact O-N 2.92Å; F68-V70 VanDerWaalsContact C-N 3.28Å; F68-V70 PolarHBondContact O-N 3.16Å
71	H	60	Low	66	Low	154 Å²	154	102.2 Å²	102.2	71%	0.713	54%	0.536	S	S	*	.	H	α-helix	trans	-85.3	-21.9	-174.1	-84.9	-75.3	0	0	0	114.8	A67	A67-H71 PolarHBondContact O-N 3.27Å
72	H	53.6	Low	67.4	Low	76 Å²	76	103.5 Å²	103.5	35%	0.352	54%	0.539	S	S	.	.	S	Bend	trans	-116.3	14	-173.6	-90.1	-110.9	0	0	0	114.3	F68 S74 I75 Y76	F68-H72 HydrophobicContact CD1-CB 4.4Å; F68-H72 WeakPolarHBondContact O-CB 3.25Å; F68-H72 PolarHBondContact O-N 2.96Å; H72-S74 PolarHBondContact O-N 3.33Å; H72-S74 VanDerWaalsContact O-N 3.09Å; H72-I75 WeakPolarHBondContact CE1-CD1 3.37Å; H72-I75 WeakPolarHBondContact ND1-CD1 3.32Å; H72-I75 PolarHBondContact O-N 3.46Å; H72-Y76 PolarHBondContact O-N 3.23Å
73	V	60.1	Low	68.6	Low	98 Å²	98	103.1 Å²	103.1	59%	0.594	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-37.6	174.3	-174.8	0	0	0	0	111.4	R69 I75 P77	R69-V73 WeakPolarHBondContact O-CG2 3.37Å; V73-I75 VanDerWaalsContact C-N 3.31Å; V73-I75 PolarHBondContact O-N 2.92Å; V73-P77 WeakPolarHBondContact O-CD 3.42Å
74	S	62.6	Low	69.8	Low	88 Å²	88	105.3 Å²	105.3	62%	0.615	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-22.3	-178.9	53.1	0	0	0	0	114.5	H72 P77	H72-S74 PolarHBondContact O-N 3.33Å; H72-S74 VanDerWaalsContact O-N 3.09Å; S74-P77 WeakPolarHBondContact O-CD 3.38Å
75	I	63.6	Low	71	Confident	67 Å²	67	106.8 Å²	106.8	34%	0.344	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-20.4	-175	-68.5	162.3	0	0	0	111.5	H72 V73 P77 D78 L79	H72-I75 WeakPolarHBondContact CE1-CD1 3.37Å; H72-I75 WeakPolarHBondContact ND1-CD1 3.32Å; H72-I75 PolarHBondContact O-N 3.46Å; V73-I75 VanDerWaalsContact C-N 3.31Å; V73-I75 PolarHBondContact O-N 2.92Å; I75-P77 VanDerWaalsContact C-CD 3.5Å; I75-D78 PolarHBondContact O-N 3.34Å; I75-L79 HydrophobicContact CG2-CD1 4.48Å; I75-L79 WeakPolarHBondContact O-CB 3.47Å; I75-L79 PolarHBondContact O-N 3.04Å
76	Y	67.3	Low	72.4	Confident	161 Å²	161	105 Å²	105	63%	0.631	54%	0.536	S	S	*	.	H	α-helix	trans	-57.3	-42.7	179	-125.1	-88.5	0	0	0	114.5	H72 L79 N80	H72-Y76 PolarHBondContact O-N 3.23Å; Y76-L79 PolarHBondContact O-N 2.94Å; Y76-N80 WeakPolarHBondContact O-CB 3.35Å; Y76-N80 PolarHBondContact O-N 3.11Å
77	P	74.6	Confident	73.8	Confident	79 Å²	79	102.3 Å²	102.3	51%	0.513	53%	0.528	S	S	.	.	H	α-helix	trans	-60.9	-46.5	175.9	-21.2	32.3	0	0	0	112.1	V73 S74 I75 L79 N80 Q81	V73-P77 WeakPolarHBondContact O-CD 3.42Å; S74-P77 WeakPolarHBondContact O-CD 3.38Å; I75-P77 VanDerWaalsContact C-CD 3.5Å; P77-L79 VanDerWaalsContact C-N 3.33Å; P77-L79 PolarHBondContact O-N 3.4Å; P77-N80 PolarHBondContact O-N 2.89Å; P77-Q81 WeakPolarHBondContact O-CB 3.37Å; P77-Q81 PolarHBondContact O-N 3.44Å
78	D	78	Confident	75.3	Confident	94 Å²	94	104.6 Å²	104.6	50%	0.503	53%	0.534	S	S	.	.	H	α-helix	trans	-62.9	-41.9	179.5	-62.4	-13.3	0	0	0	111	I75 Q81 I82	I75-D78 PolarHBondContact O-N 3.34Å; D78-Q81 PolarHBondContact O-N 3.34Å; D78-I82 VanDerWaalsContact O-CG1 3.26Å; D78-I82 WeakPolarHBondContact O-CG1 3.42Å; D78-I82 PolarHBondContact O-N 2.98Å
79	L	80.4	Confident	76.7	Confident	94 Å²	94	103.7 Å²	103.7	49%	0.492	53%	0.534	S	S	.	.	H	α-helix	trans	-69.9	-40.1	-179.5	-152.7	135.6	0	0	0	111.7	I75 Y76 P77 Q81 I82 I83	I75-L79 HydrophobicContact CG2-CD1 4.48Å; I75-L79 WeakPolarHBondContact O-CB 3.47Å; I75-L79 PolarHBondContact O-N 3.04Å; Y76-L79 PolarHBondContact O-N 2.94Å; P77-L79 VanDerWaalsContact C-N 3.33Å; P77-L79 PolarHBondContact O-N 3.4Å; L79-Q81 VanDerWaalsContact C-N 3.35Å; L79-I82 PolarHBondContact O-N 3.41Å; L79-I83 HydrophobicContact CD2-CD1 3.7Å; L79-I83 HydrophobicContact CD2-CG1 4.45Å; L79-I83 VanDerWaalsContact O-CG1 3.26Å; L79-I83 WeakPolarHBondContact O-CG1 3.47Å; L79-I83 PolarHBondContact O-N 3.06Å
80	N	82.6	Confident	78.3	Confident	81 Å²	81	98.8 Å²	98.8	43%	0.433	52%	0.521	S	S	.	.	H	α-helix	trans	-62.9	-40.8	171.6	-81.2	-9	0	0	0	111.6	Y76 P77 I83 E84	Y76-N80 WeakPolarHBondContact O-CB 3.35Å; Y76-N80 PolarHBondContact O-N 3.11Å; P77-N80 PolarHBondContact O-N 2.89Å; N80-I83 PolarHBondContact O-N 3.49Å; N80-E84 PolarHBondContact O-N 3.17Å
81	Q	83.9	Confident	79.7	Confident	121 Å²	121	98.5 Å²	98.5	57%	0.565	51%	0.513	S	S	*	.	H	α-helix	trans	-64.1	-41.5	177.3	-168.2	175.4	16.3	0	0	111.5	P77 D78 L79 E84 M85	P77-Q81 WeakPolarHBondContact O-CB 3.37Å; P77-Q81 PolarHBondContact O-N 3.44Å; D78-Q81 PolarHBondContact O-N 3.34Å; L79-Q81 VanDerWaalsContact C-N 3.35Å; Q81-E84 PolarHBondContact O-N 2.88Å; Q81-M85 WeakPolarHBondContact O-CB 3.33Å; Q81-M85 VanDerWaalsContact O-CG 3.28Å; Q81-M85 WeakPolarHBondContact O-CG 3.47Å; Q81-M85 PolarHBondContact O-N 3.27Å
82	I	86.7	Confident	81.2	Confident	112 Å²	112	96.5 Å²	96.5	57%	0.574	50%	0.504	S	S	*	.	H	α-helix	trans	-63.1	-42.3	173.9	-68.2	163.8	0	0	0	111	D78 L79 M85 A86	D78-I82 VanDerWaalsContact O-CG1 3.26Å; D78-I82 WeakPolarHBondContact O-CG1 3.42Å; D78-I82 PolarHBondContact O-N 2.98Å; L79-I82 PolarHBondContact O-N 3.41Å; I82-M85 PolarHBondContact O-N 2.69Å; I82-A86 WeakPolarHBondContact O-CB 3.48Å; I82-A86 PolarHBondContact O-N 3.41Å
83	I	86.7	Confident	83.2	Confident	88 Å²	88	98.3 Å²	98.3	45%	0.451	51%	0.511	S	S	.	.	H	α-helix	trans	-63.2	-46.5	176.6	-70.5	168.3	0	0	0	110.4	L79 N80 M85 A86 V87	L79-I83 HydrophobicContact CD2-CD1 3.7Å; L79-I83 HydrophobicContact CD2-CG1 4.45Å; L79-I83 VanDerWaalsContact O-CG1 3.26Å; L79-I83 WeakPolarHBondContact O-CG1 3.47Å; L79-I83 PolarHBondContact O-N 3.06Å; N80-I83 PolarHBondContact O-N 3.49Å; I83-M85 VanDerWaalsContact C-N 3.35Å; I83-M85 PolarHBondContact O-N 3.45Å; I83-A86 PolarHBondContact O-N 2.94Å; I83-V87 HydrophobicContact CG2-CG2 4.25Å; I83-V87 VanDerWaalsContact O-CG2 3.29Å; I83-V87 WeakPolarHBondContact O-CG2 3.45Å; I83-V87 PolarHBondContact O-N 3.04Å
84	E	87.7	Confident	84.8	Confident	135 Å²	135	98.7 Å²	98.7	63%	0.631	51%	0.506	S	S	*	.	H	α-helix	trans	-61.8	-42.9	176.9	-77.3	-163.3	164	0	0	111.7	N80 Q81 A86 V87 N88	N80-E84 PolarHBondContact O-N 3.17Å; Q81-E84 PolarHBondContact O-N 2.88Å; E84-A86 VanDerWaalsContact C-N 3.32Å; E84-A86 PolarHBondContact O-N 3.19Å; E84-V87 PolarHBondContact O-N 3.47Å; E84-N88 WeakPolarHBondContact O-CB 3.43Å; E84-N88 PolarHBondContact O-N 3.07Å; E84-N88 PolarHBondContact O-ND2 3.48Å
85	M	88.9	Confident	86.2	Confident	127 Å²	127	100 Å²	100	63%	0.626	50%	0.503	S	S	*	.	H	α-helix	trans	-58.7	-44.2	173.3	-75.8	-178.6	63.2	0	0	111.8	Q81 I82 I83 N88 D89	Q81-M85 WeakPolarHBondContact O-CB 3.33Å; Q81-M85 VanDerWaalsContact O-CG 3.28Å; Q81-M85 WeakPolarHBondContact O-CG 3.47Å; Q81-M85 PolarHBondContact O-N 3.27Å; I82-M85 PolarHBondContact O-N 2.69Å; I83-M85 VanDerWaalsContact C-N 3.35Å; I83-M85 PolarHBondContact O-N 3.45Å; M85-N88 PolarHBondContact O-N 3.21Å; M85-D89 WeakPolarHBondContact O-CB 3.4Å; M85-D89 PolarHBondContact O-N 3.41Å
86	A	91.3	Very high	87.6	Confident	46 Å²	46	99.9 Å²	99.9	38%	0.38	51%	0.505	S	S	.	.	H	α-helix	trans	-66.8	-39.5	178.4	0	0	0	0	0	112.3	I82 I83 E84 I90	I82-A86 WeakPolarHBondContact O-CB 3.48Å; I82-A86 PolarHBondContact O-N 3.41Å; I83-A86 PolarHBondContact O-N 2.94Å; E84-A86 VanDerWaalsContact C-N 3.32Å; E84-A86 PolarHBondContact O-N 3.19Å; A86-I90 WeakPolarHBondContact O-CB 3.38Å; A86-I90 WeakPolarHBondContact O-CD1 3.45Å; A86-I90 WeakPolarHBondContact O-CG1 3.46Å; A86-I90 PolarHBondContact O-N 2.87Å
87	V	92.7	Very high	88.9	Confident	75 Å²	75	96.5 Å²	96.5	46%	0.455	50%	0.496	S	S	.	.	H	α-helix	trans	-64.3	-44.6	175.7	169.8	0	0	0	0	110.6	I83 E84 I90 Q91	I83-V87 HydrophobicContact CG2-CG2 4.25Å; I83-V87 VanDerWaalsContact O-CG2 3.29Å; I83-V87 WeakPolarHBondContact O-CG2 3.45Å; I83-V87 PolarHBondContact O-N 3.04Å; E84-V87 PolarHBondContact O-N 3.47Å; V87-I90 PolarHBondContact O-N 2.95Å; V87-Q91 WeakPolarHBondContact O-CB 3.47Å; V87-Q91 PolarHBondContact O-N 3.41Å
88	N	92.2	Very high	89.8	Confident	98 Å²	98	96.3 Å²	96.3	52%	0.524	49%	0.491	S	S	.	.	H	α-helix	trans	-63.1	-44.7	177.4	-70.9	-22.8	0	0	0	111.8	E84 M85 Q91 E92	E84-N88 WeakPolarHBondContact O-CB 3.43Å; E84-N88 PolarHBondContact O-N 3.07Å; E84-N88 PolarHBondContact O-ND2 3.48Å; M85-N88 PolarHBondContact O-N 3.21Å; N88-Q91 PolarHBondContact O-N 2.98Å; N88-E92 PolarHBondContact O-N 3.48Å
89	D	93.5	Very high	90.5	Very high	82 Å²	82	95.5 Å²	95.5	44%	0.439	49%	0.493	S	S	.	.	H	α-helix	trans	-63.6	-43.2	176.5	-173.3	43.5	0	0	0	111.2	M85 Q91 E92 K93	M85-D89 WeakPolarHBondContact O-CB 3.4Å; M85-D89 PolarHBondContact O-N 3.41Å; D89-Q91 VanDerWaalsContact C-N 3.31Å; D89-Q91 PolarHBondContact O-N 3.01Å; D89-E92 PolarHBondContact O-N 2.96Å; D89-K93 VanDerWaalsContact O-CG 3.3Å; D89-K93 WeakPolarHBondContact O-CG 3.41Å; D89-K93 PolarHBondContact O-N 3.17Å; D89-K93 WeakPolarHBondContact OD1-CE 3.27Å; D89-K93 IonicContact OD1-NZ 3.71Å
90	I	93.5	Very high	91.1	Very high	96 Å²	96	97 Å²	97	49%	0.492	50%	0.499	S	S	.	.	H	α-helix	trans	-59.1	-43.4	174.4	-71.3	165.3	0	0	0	111.2	A86 V87 K93 Q94	A86-I90 WeakPolarHBondContact O-CB 3.38Å; A86-I90 WeakPolarHBondContact O-CD1 3.45Å; A86-I90 WeakPolarHBondContact O-CG1 3.46Å; A86-I90 PolarHBondContact O-N 2.87Å; V87-I90 PolarHBondContact O-N 2.95Å; I90-K93 PolarHBondContact O-N 2.89Å; I90-Q94 WeakPolarHBondContact O-CG 3.42Å; I90-Q94 PolarHBondContact O-N 3.49Å
91	Q	93.3	Very high	91.7	Very high	96 Å²	96	98.4 Å²	98.4	45%	0.449	50%	0.503	S	S	.	.	H	α-helix	trans	-66	-43.9	179.9	-171.6	173.9	-21.1	0	0	111.4	V87 N88 D89 K93 Q94 E95	V87-Q91 WeakPolarHBondContact O-CB 3.47Å; V87-Q91 PolarHBondContact O-N 3.41Å; N88-Q91 PolarHBondContact O-N 2.98Å; D89-Q91 VanDerWaalsContact C-N 3.31Å; D89-Q91 PolarHBondContact O-N 3.01Å; Q91-K93 VanDerWaalsContact C-N 3.32Å; Q91-K93 PolarHBondContact O-N 2.84Å; Q91-Q94 WeakPolarHBondContact O-CB 3.38Å; Q91-Q94 PolarHBondContact O-N 2.9Å; Q91-Q94 VanDerWaalsContact O-N 3.14Å; Q91-E95 WeakPolarHBondContact O-CG 3.48Å; Q91-E95 PolarHBondContact O-N 3.11Å
92	E	93	Very high	92.1	Very high	112 Å²	112	99.8 Å²	99.8	52%	0.523	51%	0.507	S	S	.	.	H	α-helix	trans	-60.6	-41.9	174.2	-169.2	-173.3	157.4	0	0	111.3	N88 D89 Q94 E95 T96	N88-E92 PolarHBondContact O-N 3.48Å; D89-E92 PolarHBondContact O-N 2.96Å; E92-Q94 VanDerWaalsContact C-N 3.34Å; E92-Q94 PolarHBondContact O-N 2.98Å; E92-E95 PolarHBondContact O-N 2.9Å; E92-T96 VanDerWaalsContact O-CG2 3.26Å; E92-T96 WeakPolarHBondContact O-CG2 3.33Å; E92-T96 PolarHBondContact O-N 2.87Å; E92-T96 PolarHBondContact O-OG1 3.03Å
93	K	93.8	Very high	92.5	Very high	114 Å²	114	98 Å²	98	50%	0.496	50%	0.504	S	S	.	.	H	α-helix	trans	-63.5	-38	174.1	-65.5	-45.1	173.7	-157.1	0	112.6	D89 I90 Q91 T96 M97	D89-K93 VanDerWaalsContact O-CG 3.3Å; D89-K93 WeakPolarHBondContact O-CG 3.41Å; D89-K93 PolarHBondContact O-N 3.17Å; D89-K93 WeakPolarHBondContact OD1-CE 3.27Å; D89-K93 IonicContact OD1-NZ 3.71Å; I90-K93 PolarHBondContact O-N 2.89Å; Q91-K93 VanDerWaalsContact C-N 3.32Å; Q91-K93 PolarHBondContact O-N 2.84Å; K93-T96 WeakPolarHBondContact CA-OG1 3.31Å; K93-T96 PolarHBondContact O-OG1 3.39Å; K93-M97 WeakPolarHBondContact O-CB 3.49Å; K93-M97 PolarHBondContact O-N 3.46Å
94	Q	93.5	Very high	92.9	Very high	106 Å²	106	100.5 Å²	100.5	50%	0.495	51%	0.512	S	S	.	.	H	α-helix	trans	-65.3	-45	175.5	-75.6	174.8	-12	0	0	111.6	I90 Q91 E92 T96 M97 D98	I90-Q94 WeakPolarHBondContact O-CG 3.42Å; I90-Q94 PolarHBondContact O-N 3.49Å; Q91-Q94 WeakPolarHBondContact O-CB 3.38Å; Q91-Q94 PolarHBondContact O-N 2.9Å; Q91-Q94 VanDerWaalsContact O-N 3.14Å; E92-Q94 VanDerWaalsContact C-N 3.34Å; E92-Q94 PolarHBondContact O-N 2.98Å; Q94-T96 PolarHBondContact O-N 3.39Å; Q94-M97 WeakPolarHBondContact O-CB 3.29Å; Q94-M97 PolarHBondContact O-N 3.27Å; Q94-D98 PolarHBondContact O-N 2.97Å
95	E	93.2	Very high	93.2	Very high	117 Å²	117	98.8 Å²	98.8	55%	0.547	51%	0.505	S	S	.	.	H	α-helix	trans	-62.9	-41.4	177.8	-70.7	176.5	-171.3	0	0	112.2	Q91 E92 D98 S99	Q91-E95 WeakPolarHBondContact O-CG 3.48Å; Q91-E95 PolarHBondContact O-N 3.11Å; E92-E95 PolarHBondContact O-N 2.9Å; E95-D98 PolarHBondContact O-N 3.5Å; E95-S99 WeakPolarHBondContact O-CB 3.48Å; E95-S99 PolarHBondContact O-N 3.28Å
96	T	93.7	Very high	93.4	Very high	64 Å²	64	95 Å²	95	39%	0.393	49%	0.491	S	S	.	.	H	α-helix	trans	-66.2	-38.3	175.3	60.4	0	0	0	0	112.5	E92 K93 Q94 S99 M100	E92-T96 VanDerWaalsContact O-CG2 3.26Å; E92-T96 WeakPolarHBondContact O-CG2 3.33Å; E92-T96 PolarHBondContact O-N 2.87Å; E92-T96 PolarHBondContact O-OG1 3.03Å; K93-T96 WeakPolarHBondContact CA-OG1 3.31Å; K93-T96 PolarHBondContact O-OG1 3.39Å; Q94-T96 PolarHBondContact O-N 3.39Å; T96-S99 PolarHBondContact O-N 2.99Å; T96-M100 WeakPolarHBondContact O-CG 3.43Å; T96-M100 PolarHBondContact O-N 2.94Å
97	M	93.7	Very high	93.5	Very high	89 Å²	89	96.3 Å²	96.3	44%	0.438	50%	0.497	S	S	.	.	H	α-helix	trans	-63	-48.7	174.4	-175.9	177.3	70.4	0	0	111.4	K93 Q94 S99 M100 E101	K93-M97 WeakPolarHBondContact O-CB 3.49Å; K93-M97 PolarHBondContact O-N 3.46Å; Q94-M97 WeakPolarHBondContact O-CB 3.29Å; Q94-M97 PolarHBondContact O-N 3.27Å; M97-S99 VanDerWaalsContact C-N 3.28Å; M97-S99 PolarHBondContact O-N 3.38Å; M97-M100 PolarHBondContact O-N 3.07Å; M97-M100 VanDerWaalsContact O-N 3.13Å; M97-E101 WeakPolarHBondContact O-CG 3.24Å; M97-E101 PolarHBondContact O-N 2.71Å
98	D	93.7	Very high	93.5	Very high	75 Å²	75	94.8 Å²	94.8	40%	0.401	49%	0.49	S	S	.	.	H	α-helix	trans	-60.3	-38.8	177.7	-75	-5.5	0	0	0	112	Q94 E95 E101 K102	Q94-D98 PolarHBondContact O-N 2.97Å; E95-D98 PolarHBondContact O-N 3.5Å; D98-E101 PolarHBondContact O-N 3.12Å; D98-K102 WeakPolarHBondContact O-CB 3.28Å; D98-K102 VanDerWaalsContact O-CG 3.31Å; D98-K102 WeakPolarHBondContact O-CG 3.31Å; D98-K102 PolarHBondContact O-N 3.3Å
99	S	93	Very high	93.6	Very high	78 Å²	78	95.8 Å²	95.8	55%	0.545	49%	0.492	S	S	.	.	H	α-helix	trans	-63.7	-44.7	174.9	-175.6	0	0	0	0	111.8	E95 T96 M97 K102 S103	E95-S99 WeakPolarHBondContact O-CB 3.48Å; E95-S99 PolarHBondContact O-N 3.28Å; T96-S99 PolarHBondContact O-N 2.99Å; M97-S99 VanDerWaalsContact C-N 3.28Å; M97-S99 PolarHBondContact O-N 3.38Å; S99-K102 PolarHBondContact O-N 3.49Å; S99-S103 WeakPolarHBondContact O-CB 3.46Å; S99-S103 PolarHBondContact O-N 3.04Å
100	M	92.4	Very high	93.7	Very high	126 Å²	126	98.2 Å²	98.2	62%	0.621	50%	0.498	S	S	*	.	H	α-helix	trans	-64.4	-41.2	175	-73.8	-172.1	-65.8	0	0	112.2	T96 M97 S103 F104	T96-M100 WeakPolarHBondContact O-CG 3.43Å; T96-M100 PolarHBondContact O-N 2.94Å; M97-M100 PolarHBondContact O-N 3.07Å; M97-M100 VanDerWaalsContact O-N 3.13Å; M100-S103 WeakPolarHBondContact O-CB 3.43Å; M100-S103 PolarHBondContact O-N 3.38Å; M100-F104 WeakPolarHBondContact O-CB 3.36Å; M100-F104 PolarHBondContact O-N 3.06Å
101	E	94.4	Very high	93.8	Very high	110 Å²	110	99.7 Å²	99.7	51%	0.514	50%	0.502	S	S	.	.	H	α-helix	trans	-62.8	-45.7	177	-75.5	-172.8	176.5	0	0	111.7	M97 D98 S103 F104 M105	M97-E101 WeakPolarHBondContact O-CG 3.24Å; M97-E101 PolarHBondContact O-N 2.71Å; D98-E101 PolarHBondContact O-N 3.12Å; E101-S103 VanDerWaalsContact C-N 3.34Å; E101-S103 PolarHBondContact O-N 2.97Å; E101-F104 PolarHBondContact O-N 3.1Å; E101-M105 WeakPolarHBondContact O-CB 3.41Å; E101-M105 VanDerWaalsContact O-CG 3.28Å; E101-M105 WeakPolarHBondContact O-CG 3.41Å; E101-M105 PolarHBondContact O-N 3.05Å
102	K	93.2	Very high	93.9	Very high	150 Å²	150	99.3 Å²	99.3	65%	0.652	50%	0.503	S	S	*	.	H	α-helix	trans	-60.7	-43.2	174.7	-73.7	170.9	-175.1	168.7	0	111.9	D98 S99 M105 S106	D98-K102 WeakPolarHBondContact O-CB 3.28Å; D98-K102 VanDerWaalsContact O-CG 3.31Å; D98-K102 WeakPolarHBondContact O-CG 3.31Å; D98-K102 PolarHBondContact O-N 3.3Å; S99-K102 PolarHBondContact O-N 3.49Å; K102-M105 PolarHBondContact O-N 2.97Å; K102-S106 WeakPolarHBondContact O-CB 3.47Å; K102-S106 PolarHBondContact O-N 3.11Å; K102-S106 PolarHBondContact O-OG 3.21Å
103	S	94.8	Very high	93.9	Very high	74 Å²	74	99.2 Å²	99.2	52%	0.517	50%	0.502	S	S	.	.	H	α-helix	trans	-60.4	-47.2	175.4	-177.7	0	0	0	0	111	S99 M100 E101 S106 S107	S99-S103 WeakPolarHBondContact O-CB 3.46Å; S99-S103 PolarHBondContact O-N 3.04Å; M100-S103 WeakPolarHBondContact O-CB 3.43Å; M100-S103 PolarHBondContact O-N 3.38Å; E101-S103 VanDerWaalsContact C-N 3.34Å; E101-S103 PolarHBondContact O-N 2.97Å; S103-S106 PolarHBondContact O-N 2.77Å; S103-S106 PolarHBondContact O-OG 3.19Å; S103-S107 VanDerWaalsContact O-CB 3.31Å; S103-S107 WeakPolarHBondContact O-CB 3.42Å; S103-S107 PolarHBondContact O-N 3.13Å
104	F	94.8	Very high	94	Very high	140 Å²	140	97.6 Å²	97.6	61%	0.614	50%	0.502	S	S	*	.	H	α-helix	trans	-63.2	-43.2	178.6	-173.4	-101.3	0	0	0	112.3	M100 E101 S107 S108	M100-F104 WeakPolarHBondContact O-CB 3.36Å; M100-F104 PolarHBondContact O-N 3.06Å; E101-F104 PolarHBondContact O-N 3.1Å; F104-S107 PolarHBondContact O-N 3.05Å; F104-S108 WeakPolarHBondContact O-CB 3.23Å; F104-S108 PolarHBondContact O-N 3.13Å
105	M	94.5	Very high	94	Very high	100 Å²	100	95.4 Å²	95.4	49%	0.493	49%	0.493	S	S	.	.	H	α-helix	trans	-61.7	-49.2	175	-72	-64.4	100.1	0	0	111.6	E101 K102 S107 S108 E109	E101-M105 WeakPolarHBondContact O-CB 3.41Å; E101-M105 VanDerWaalsContact O-CG 3.28Å; E101-M105 WeakPolarHBondContact O-CG 3.41Å; E101-M105 PolarHBondContact O-N 3.05Å; K102-M105 PolarHBondContact O-N 2.97Å; M105-S107 VanDerWaalsContact C-N 3.28Å; M105-S107 PolarHBondContact O-N 3.35Å; M105-S108 PolarHBondContact O-N 3.33Å; M105-E109 WeakPolarHBondContact O-CG 3.47Å; M105-E109 PolarHBondContact O-N 2.89Å
106	S	93.4	Very high	94.1	Very high	47 Å²	47	95.3 Å²	95.3	33%	0.329	49%	0.493	S	S	.	.	H	α-helix	trans	-63.5	-34.5	178.6	75.4	0	0	0	0	112.9	K102 S103 K110	K102-S106 WeakPolarHBondContact O-CB 3.47Å; K102-S106 PolarHBondContact O-N 3.11Å; K102-S106 PolarHBondContact O-OG 3.21Å; S103-S106 PolarHBondContact O-N 2.77Å; S103-S106 PolarHBondContact O-OG 3.19Å; S106-K110 VanDerWaalsContact O-CG 3.27Å; S106-K110 WeakPolarHBondContact O-CG 3.35Å; S106-K110 PolarHBondContact O-N 3.38Å; S106-K110 VanDerWaalsContact O-N 3.16Å
107	S	93.2	Very high	94.2	Very high	73 Å²	73	97.4 Å²	97.4	51%	0.51	50%	0.502	S	S	.	.	H	α-helix	trans	-69.5	-43.1	175.2	-171.7	0	0	0	0	111.2	S103 F104 M105 K110 F111	S103-S107 VanDerWaalsContact O-CB 3.31Å; S103-S107 WeakPolarHBondContact O-CB 3.42Å; S103-S107 PolarHBondContact O-N 3.13Å; F104-S107 PolarHBondContact O-N 3.05Å; M105-S107 VanDerWaalsContact C-N 3.28Å; M105-S107 PolarHBondContact O-N 3.35Å; S107-K110 PolarHBondContact O-N 3.3Å; S107-F111 WeakPolarHBondContact O-CB 3.43Å; S107-F111 PolarHBondContact O-N 3.4Å
108	S	93.1	Very high	94.3	Very high	44 Å²	44	97.5 Å²	97.5	31%	0.308	50%	0.504	S	S	.	.	H	α-helix	trans	-63.8	-41.5	176.4	-174	0	0	0	0	112.2	F104 M105 F111 N112	F104-S108 WeakPolarHBondContact O-CB 3.23Å; F104-S108 PolarHBondContact O-N 3.13Å; M105-S108 PolarHBondContact O-N 3.33Å; S108-F111 PolarHBondContact O-N 3.49Å; S108-N112 PolarHBondContact O-N 2.87Å; S108-N112 PolarHBondContact O-ND2 3.09Å
109	E	94.4	Very high	94.3	Very high	118 Å²	118	101.5 Å²	101.5	55%	0.551	51%	0.514	S	S	*	.	H	α-helix	trans	-61.6	-47.2	175.3	-75.1	173.7	177.7	0	0	111.9	M105 F111 N112 Q113	M105-E109 WeakPolarHBondContact O-CG 3.47Å; M105-E109 PolarHBondContact O-N 2.89Å; E109-F111 VanDerWaalsContact C-N 3.31Å; E109-F111 PolarHBondContact O-N 3.01Å; E109-N112 PolarHBondContact O-N 3.34Å; E109-Q113 WeakPolarHBondContact O-CB 3.31Å; E109-Q113 WeakPolarHBondContact O-CG 3.37Å; E109-Q113 PolarHBondContact O-N 3.17Å
110	K	95.1	Very high	94.4	Very high	133 Å²	133	101.9 Å²	101.9	58%	0.578	51%	0.51	S	S	*	.	H	α-helix	trans	-60.9	-40	176.3	-73.9	172.5	-176.6	176.4	0	112.3	S106 S107 T114	S106-K110 VanDerWaalsContact O-CG 3.27Å; S106-K110 WeakPolarHBondContact O-CG 3.35Å; S106-K110 PolarHBondContact O-N 3.38Å; S106-K110 VanDerWaalsContact O-N 3.16Å; S107-K110 PolarHBondContact O-N 3.3Å; K110-T114 WeakPolarHBondContact O-CB 3.26Å; K110-T114 PolarHBondContact O-N 2.99Å; K110-T114 PolarHBondContact O-OG1 3.48Å
111	F	95.3	Very high	94.6	Very high	127 Å²	127	100.4 Å²	100.4	56%	0.557	50%	0.502	S	S	*	.	H	α-helix	trans	-63.7	-46	176.2	-179.6	-103.2	0	0	0	111.5	S107 S108 E109 T114 L115	S107-F111 WeakPolarHBondContact O-CB 3.43Å; S107-F111 PolarHBondContact O-N 3.4Å; S108-F111 PolarHBondContact O-N 3.49Å; E109-F111 VanDerWaalsContact C-N 3.31Å; E109-F111 PolarHBondContact O-N 3.01Å; F111-T114 PolarHBondContact O-N 2.77Å; F111-L115 HydrophobicContact CD1-CD1 3.87Å; F111-L115 HydrophobicContact CD1-CG 4.46Å; F111-L115 HydrophobicContact CE1-CD1 3.29Å; F111-L115 HydrophobicContact CE1-CG 4.06Å; F111-L115 HydrophobicContact CZ-CD1 3.67Å; F111-L115 HydrophobicContact CZ-CD2 4.39Å; F111-L115 HydrophobicContact CZ-CG 4.08Å; F111-L115 PolarHBondContact O-N 3.06Å
112	N	94.9	Very high	94.5	Very high	88 Å²	88	99.2 Å²	99.2	47%	0.471	50%	0.502	S	S	.	.	H	α-helix	trans	-64.6	-41.2	177.6	-70.9	-28.1	0	0	0	112.4	S108 E109 T114 L115 E116	S108-N112 PolarHBondContact O-N 2.87Å; S108-N112 PolarHBondContact O-ND2 3.09Å; E109-N112 PolarHBondContact O-N 3.34Å; N112-T114 VanDerWaalsContact C-N 3.31Å; N112-T114 PolarHBondContact O-N 3.04Å; N112-L115 PolarHBondContact O-N 3.45Å; N112-E116 WeakPolarHBondContact O-CB 3.36Å; N112-E116 PolarHBondContact O-N 3.38Å
113	Q	94.7	Very high	94.6	Very high	111 Å²	111	96.3 Å²	96.3	52%	0.519	49%	0.493	S	S	.	.	H	α-helix	trans	-60.7	-41.3	173.9	-74.1	171.3	6.2	0	0	111.7	E109 E116 N117	E109-Q113 WeakPolarHBondContact O-CB 3.31Å; E109-Q113 WeakPolarHBondContact O-CG 3.37Å; E109-Q113 PolarHBondContact O-N 3.17Å; Q113-E116 PolarHBondContact O-N 2.97Å; Q113-N117 WeakPolarHBondContact O-CB 3.49Å; Q113-N117 PolarHBondContact O-N 3.22Å; Q113-N117 PolarHBondContact O-ND2 3.26Å
114	T	95.2	Very high	94.6	Very high	80 Å²	80	95.8 Å²	95.8	49%	0.491	49%	0.49	S	S	.	.	H	α-helix	trans	-64.3	-43.8	176.9	-54.3	0	0	0	0	111.1	K110 F111 N112 N117 L118	K110-T114 WeakPolarHBondContact O-CB 3.26Å; K110-T114 PolarHBondContact O-N 2.99Å; K110-T114 PolarHBondContact O-OG1 3.48Å; F111-T114 PolarHBondContact O-N 2.77Å; N112-T114 VanDerWaalsContact C-N 3.31Å; N112-T114 PolarHBondContact O-N 3.04Å; T114-N117 PolarHBondContact O-N 3.43Å; T114-L118 HydrophobicContact CG2-CD1 4.33Å; T114-L118 WeakPolarHBondContact O-CG 3.44Å; T114-L118 PolarHBondContact O-N 3.41Å
115	L	93.5	Very high	94.7	Very high	59 Å²	59	94.7 Å²	94.7	31%	0.309	49%	0.485	S	S	.	.	H	α-helix	trans	-62.4	-46.1	176	-77.2	178.6	0	0	0	112	F111 N112 N117 L118 Y119	F111-L115 HydrophobicContact CD1-CD1 3.87Å; F111-L115 HydrophobicContact CD1-CG 4.46Å; F111-L115 HydrophobicContact CE1-CD1 3.29Å; F111-L115 HydrophobicContact CE1-CG 4.06Å; F111-L115 HydrophobicContact CZ-CD1 3.67Å; F111-L115 HydrophobicContact CZ-CD2 4.39Å; F111-L115 HydrophobicContact CZ-CG 4.08Å; F111-L115 PolarHBondContact O-N 3.06Å; N112-L115 PolarHBondContact O-N 3.45Å; L115-N117 VanDerWaalsContact C-N 3.35Å; L115-N117 PolarHBondContact O-N 3.33Å; L115-L118 PolarHBondContact O-N 3.05Å; L115-Y119 HydrophobicContact CB-CD2 4.39Å; L115-Y119 HydrophobicContact CB-CE2 4.34Å; L115-Y119 WeakPolarHBondContact O-CD2 3.38Å; L115-Y119 PolarHBondContact O-N 3.39Å
116	E	95.2	Very high	94.6	Very high	116 Å²	116	94.6 Å²	94.6	54%	0.542	49%	0.486	S	S	.	.	H	α-helix	trans	-60.2	-44.5	179.1	-175.9	172.5	-166.1	0	0	111.7	N112 Q113 L118 Y119 N120	N112-E116 WeakPolarHBondContact O-CB 3.36Å; N112-E116 PolarHBondContact O-N 3.38Å; Q113-E116 PolarHBondContact O-N 2.97Å; E116-L118 PolarHBondContact O-N 2.94Å; E116-Y119 PolarHBondContact O-N 3.05Å; E116-N120 WeakPolarHBondContact O-CB 3.36Å; E116-N120 PolarHBondContact O-N 3.33Å; E116-N120 PolarHBondContact O-ND2 3.41Å
117	N	95.8	Very high	94.7	Very high	107 Å²	107	96.7 Å²	96.7	57%	0.572	49%	0.493	S	S	*	.	H	α-helix	trans	-60.1	-44.5	175.1	-70.9	-22.7	0	0	0	112.1	Q113 T114 L115 N120 E121	Q113-N117 WeakPolarHBondContact O-CB 3.49Å; Q113-N117 PolarHBondContact O-N 3.22Å; Q113-N117 PolarHBondContact O-ND2 3.26Å; T114-N117 PolarHBondContact O-N 3.43Å; L115-N117 VanDerWaalsContact C-N 3.35Å; L115-N117 PolarHBondContact O-N 3.33Å; N117-N120 PolarHBondContact O-N 3.42Å; N117-E121 WeakPolarHBondContact O-CB 3.48Å; N117-E121 PolarHBondContact O-N 2.96Å
118	L	95.3	Very high	94.7	Very high	92 Å²	92	99.6 Å²	99.6	48%	0.482	50%	0.498	S	S	.	.	H	α-helix	trans	-63.6	-43.6	176.9	-72.2	172.5	0	0	0	111.6	T114 L115 E116 E121 T122	T114-L118 HydrophobicContact CG2-CD1 4.33Å; T114-L118 WeakPolarHBondContact O-CG 3.44Å; T114-L118 PolarHBondContact O-N 3.41Å; L115-L118 PolarHBondContact O-N 3.05Å; E116-L118 PolarHBondContact O-N 2.94Å; L118-E121 PolarHBondContact O-N 3.38Å; L118-T122 WeakPolarHBondContact O-CB 3.49Å; L118-T122 VanDerWaalsContact O-CG2 3.28Å; L118-T122 WeakPolarHBondContact O-CG2 3.45Å; L118-T122 PolarHBondContact O-N 2.99Å; L118-T122 PolarHBondContact O-OG1 3.16Å; L118-T122 VanDerWaalsContact O-OG1 3.08Å
119	Y	94.4	Very high	94.7	Very high	158 Å²	158	102.3 Å²	102.3	62%	0.62	51%	0.506	S	S	*	.	H	α-helix	trans	-60.3	-49.7	176.4	-81.5	-62.6	0	0	0	111.4	L115 E116 E121 T122 D123	L115-Y119 HydrophobicContact CB-CD2 4.39Å; L115-Y119 HydrophobicContact CB-CE2 4.34Å; L115-Y119 WeakPolarHBondContact O-CD2 3.38Å; L115-Y119 PolarHBondContact O-N 3.39Å; E116-Y119 PolarHBondContact O-N 3.05Å; Y119-E121 VanDerWaalsContact C-N 3.33Å; Y119-E121 PolarHBondContact O-N 3.35Å; Y119-T122 WeakPolarHBondContact CA-OG1 3.4Å; Y119-T122 PolarHBondContact O-N 2.88Å; Y119-T122 PolarHBondContact O-OG1 2.92Å; Y119-D123 WeakPolarHBondContact O-CB 3.34Å; Y119-D123 PolarHBondContact O-N 3.3Å
120	N	95.3	Very high	94.6	Very high	86 Å²	86	101.2 Å²	101.2	46%	0.46	50%	0.501	S	S	.	.	H	α-helix	trans	-62.6	-38.7	179.2	-67.8	-21.1	0	0	0	112.3	E116 N117 S124	E116-N120 WeakPolarHBondContact O-CB 3.36Å; E116-N120 PolarHBondContact O-N 3.33Å; E116-N120 PolarHBondContact O-ND2 3.41Å; N117-N120 PolarHBondContact O-N 3.42Å; N120-S124 WeakPolarHBondContact O-CB 3.38Å; N120-S124 PolarHBondContact O-N 3.49Å; N120-S124 PolarHBondContact O-OG 2.86Å
121	E	95.8	Very high	94.5	Very high	96 Å²	96	100.2 Å²	100.2	45%	0.449	50%	0.498	S	S	.	.	H	α-helix	trans	-65.4	-44.9	175.4	-172.7	-176.1	166.1	0	0	111.4	N117 L118 Y119 S124 K125	N117-E121 WeakPolarHBondContact O-CB 3.48Å; N117-E121 PolarHBondContact O-N 2.96Å; L118-E121 PolarHBondContact O-N 3.38Å; Y119-E121 VanDerWaalsContact C-N 3.33Å; Y119-E121 PolarHBondContact O-N 3.35Å; E121-S124 PolarHBondContact O-N 3.11Å; E121-K125 HydrophobicContact CG-CD 4.48Å; E121-K125 WeakPolarHBondContact O-CG 3.4Å; E121-K125 PolarHBondContact O-N 2.98Å; E121-K125 VanDerWaalsContact OE1-CE 3.28Å; E121-K125 WeakPolarHBondContact OE1-CE 3.36Å; E121-K125 IonicContact OE1-NZ 3.71Å; E121-K125 PolarHBondContact OE1-NZ 3.34Å
122	T	93.8	Very high	94.5	Very high	84 Å²	84	97.2 Å²	97.2	52%	0.515	49%	0.488	S	S	.	.	H	α-helix	trans	-64.7	-39.9	177.9	55.2	0	0	0	0	112.5	L118 Y119 K125 L126	L118-T122 WeakPolarHBondContact O-CB 3.49Å; L118-T122 VanDerWaalsContact O-CG2 3.28Å; L118-T122 WeakPolarHBondContact O-CG2 3.45Å; L118-T122 PolarHBondContact O-N 2.99Å; L118-T122 PolarHBondContact O-OG1 3.16Å; L118-T122 VanDerWaalsContact O-OG1 3.08Å; Y119-T122 WeakPolarHBondContact CA-OG1 3.4Å; Y119-T122 PolarHBondContact O-N 2.88Å; Y119-T122 PolarHBondContact O-OG1 2.92Å; T122-K125 PolarHBondContact O-N 2.98Å; T122-L126 WeakPolarHBondContact O-CB 3.45Å; T122-L126 PolarHBondContact O-N 3.14Å
123	D	94.4	Very high	94.3	Very high	89 Å²	89	98.3 Å²	98.3	48%	0.476	49%	0.491	S	S	.	.	H	α-helix	trans	-67.2	-43.1	178.4	-165.3	57.1	0	0	0	111.1	Y119 K125 L126 I127	Y119-D123 WeakPolarHBondContact O-CB 3.34Å; Y119-D123 PolarHBondContact O-N 3.3Å; D123-K125 VanDerWaalsContact C-N 3.35Å; D123-K125 PolarHBondContact O-N 3.4Å; D123-L126 WeakPolarHBondContact O-CB 3.45Å; D123-L126 PolarHBondContact O-N 3.48Å; D123-L126 VanDerWaalsContact O-N 3.16Å; D123-I127 WeakPolarHBondContact O-CG1 3.3Å; D123-I127 PolarHBondContact O-N 2.91Å
124	S	94.9	Very high	94.2	Very high	63 Å²	63	100.8 Å²	100.8	44%	0.441	50%	0.496	S	S	.	.	H	α-helix	trans	-60.5	-42.2	174.9	-61.1	0	0	0	0	112.4	N120 E121 I127 Q128	N120-S124 WeakPolarHBondContact O-CB 3.38Å; N120-S124 PolarHBondContact O-N 3.49Å; N120-S124 PolarHBondContact O-OG 2.86Å; E121-S124 PolarHBondContact O-N 3.11Å; S124-I127 PolarHBondContact O-N 2.95Å; S124-Q128 WeakPolarHBondContact O-CG 3.32Å; S124-Q128 PolarHBondContact O-N 2.86Å; S124-Q128 VanDerWaalsContact O-N 3.12Å
125	K	95.9	Very high	94.1	Very high	117 Å²	117	101.7 Å²	101.7	51%	0.509	49%	0.494	S	S	.	.	H	α-helix	trans	-66.2	-37.7	175.4	-73.3	177	-175	170	0	112.1	E121 T122 D123 Q128 E129	E121-K125 HydrophobicContact CG-CD 4.48Å; E121-K125 WeakPolarHBondContact O-CG 3.4Å; E121-K125 PolarHBondContact O-N 2.98Å; E121-K125 VanDerWaalsContact OE1-CE 3.28Å; E121-K125 WeakPolarHBondContact OE1-CE 3.36Å; E121-K125 IonicContact OE1-NZ 3.71Å; E121-K125 PolarHBondContact OE1-NZ 3.34Å; T122-K125 PolarHBondContact O-N 2.98Å; D123-K125 VanDerWaalsContact C-N 3.35Å; D123-K125 PolarHBondContact O-N 3.4Å; K125-Q128 PolarHBondContact O-N 3.32Å; K125-E129 PolarHBondContact O-N 3.2Å
126	L	93.1	Very high	94.2	Very high	98 Å²	98	105.8 Å²	105.8	51%	0.513	51%	0.506	S	S	.	.	H	α-helix	trans	-60.9	-48.4	176	-168	86.4	0	0	0	110.7	T122 D123 Q128 E129 E130	T122-L126 WeakPolarHBondContact O-CB 3.45Å; T122-L126 PolarHBondContact O-N 3.14Å; D123-L126 WeakPolarHBondContact O-CB 3.45Å; D123-L126 PolarHBondContact O-N 3.48Å; D123-L126 VanDerWaalsContact O-N 3.16Å; L126-Q128 PolarHBondContact O-N 3.36Å; L126-E129 PolarHBondContact O-N 2.98Å; L126-E130 WeakPolarHBondContact O-CG 3.42Å; L126-E130 PolarHBondContact O-N 3.43Å
127	I	94.8	Very high	93.9	Very high	92 Å²	92	105.7 Å²	105.7	47%	0.472	51%	0.508	S	S	.	.	H	α-helix	trans	-61.3	-43.7	179.6	-66	165.3	0	0	0	111	D123 S124 E130 E131	D123-I127 WeakPolarHBondContact O-CG1 3.3Å; D123-I127 PolarHBondContact O-N 2.91Å; S124-I127 PolarHBondContact O-N 2.95Å; I127-E130 PolarHBondContact O-N 2.87Å; I127-E131 PolarHBondContact O-N 3.47Å
128	Q	94.9	Very high	93.8	Very high	133 Å²	133	107.9 Å²	107.9	62%	0.621	51%	0.513	S	S	*	.	H	α-helix	trans	-62.7	-43.8	178.1	-73.4	175.9	1.7	0	0	112.6	S124 K125 L126 E131 L132	S124-Q128 WeakPolarHBondContact O-CG 3.32Å; S124-Q128 PolarHBondContact O-N 2.86Å; S124-Q128 VanDerWaalsContact O-N 3.12Å; K125-Q128 PolarHBondContact O-N 3.32Å; L126-Q128 PolarHBondContact O-N 3.36Å; Q128-E131 PolarHBondContact O-N 3.24Å; Q128-L132 WeakPolarHBondContact O-CB 3.42Å; Q128-L132 PolarHBondContact O-N 3.01Å
129	E	91.5	Very high	93.8	Very high	101 Å²	101	110 Å²	110	47%	0.472	52%	0.518	S	S	.	.	H	α-helix	trans	-68.2	-38.7	178.4	-171.1	62.5	-158.2	0	0	111.4	K125 L126 L132 M133	K125-E129 PolarHBondContact O-N 3.2Å; L126-E129 PolarHBondContact O-N 2.98Å; E129-L132 PolarHBondContact O-N 3.19Å; E129-M133 VanDerWaalsContact O-CB 3.3Å; E129-M133 WeakPolarHBondContact O-CB 3.47Å; E129-M133 WeakPolarHBondContact O-CG 3.39Å; E129-M133 PolarHBondContact O-N 3.03Å
130	E	92	Very high	93.7	Very high	96 Å²	96	108.8 Å²	108.8	45%	0.449	52%	0.516	S	S	.	.	H	α-helix	trans	-61.8	-43	173.7	-77.8	-166.6	-177.6	0	0	112.1	L126 I127 M133 R134	L126-E130 WeakPolarHBondContact O-CG 3.42Å; L126-E130 PolarHBondContact O-N 3.43Å; I127-E130 PolarHBondContact O-N 2.87Å; E130-M133 PolarHBondContact O-N 3.37Å; E130-R134 WeakPolarHBondContact O-CB 3.36Å; E130-R134 WeakPolarHBondContact O-CG 3.41Å; E130-R134 PolarHBondContact O-N 3.3Å
131	E	94.6	Very high	93.5	Very high	111 Å²	111	108 Å²	108	52%	0.519	52%	0.517	S	S	.	.	H	α-helix	trans	-65.5	-44.3	177.8	-169.7	175	178.7	0	0	111.6	I127 Q128 M133 R134 Q135	I127-E131 PolarHBondContact O-N 3.47Å; Q128-E131 PolarHBondContact O-N 3.24Å; E131-M133 VanDerWaalsContact C-N 3.35Å; E131-M133 PolarHBondContact O-N 3.24Å; E131-R134 PolarHBondContact O-N 3.31Å; E131-Q135 WeakPolarHBondContact O-CG 3.46Å; E131-Q135 PolarHBondContact O-N 2.96Å
132	L	95	Very high	93.4	Very high	65 Å²	65	109.4 Å²	109.4	34%	0.34	52%	0.523	S	S	.	.	H	α-helix	trans	-60.1	-44.7	175.5	-177.2	67.8	0	0	0	111.6	Q128 E129 Q135 R136	Q128-L132 WeakPolarHBondContact O-CB 3.42Å; Q128-L132 PolarHBondContact O-N 3.01Å; E129-L132 PolarHBondContact O-N 3.19Å; L132-Q135 PolarHBondContact O-N 3.46Å; L132-R136 WeakPolarHBondContact O-CG 3.45Å; L132-R136 PolarHBondContact O-N 3.42Å
133	M	90.8	Very high	93.4	Very high	110 Å²	110	111 Å²	111	54%	0.542	52%	0.524	S	S	.	.	H	α-helix	trans	-61.3	-43.2	175.3	-83.3	-74.3	-75	0	0	111.7	E129 E130 E131 Q135 R136 L137	E129-M133 VanDerWaalsContact O-CB 3.3Å; E129-M133 WeakPolarHBondContact O-CB 3.47Å; E129-M133 WeakPolarHBondContact O-CG 3.39Å; E129-M133 PolarHBondContact O-N 3.03Å; E130-M133 PolarHBondContact O-N 3.37Å; E131-M133 VanDerWaalsContact C-N 3.35Å; E131-M133 PolarHBondContact O-N 3.24Å; M133-Q135 PolarHBondContact O-N 3.3Å; M133-R136 PolarHBondContact O-N 3.42Å; M133-L137 WeakPolarHBondContact O-CB 3.44Å; M133-L137 PolarHBondContact O-N 3.24Å
134	R	92.5	Very high	93.3	Very high	164 Å²	164	111.2 Å²	111.2	62%	0.619	53%	0.525	S	S	*	.	H	α-helix	trans	-62.7	-41.2	175.9	-74.5	171.5	-172.5	-80.1	1.1	111.9	E130 E131 L137 K138	E130-R134 WeakPolarHBondContact O-CB 3.36Å; E130-R134 WeakPolarHBondContact O-CG 3.41Å; E130-R134 PolarHBondContact O-N 3.3Å; E131-R134 PolarHBondContact O-N 3.31Å; R134-L137 PolarHBondContact O-N 3.04Å; R134-K138 WeakPolarHBondContact O-CB 3.43Å; R134-K138 WeakPolarHBondContact O-CG 3.44Å; R134-K138 PolarHBondContact O-N 3.44Å
135	Q	93.5	Very high	93.2	Very high	99 Å²	99	114.7 Å²	114.7	46%	0.463	53%	0.532	S	S	.	.	H	α-helix	trans	-65.9	-43.8	176.6	-70.4	178.3	11.8	0	0	111.9	E131 L132 M133 K138 K139	E131-Q135 WeakPolarHBondContact O-CG 3.46Å; E131-Q135 PolarHBondContact O-N 2.96Å; L132-Q135 PolarHBondContact O-N 3.46Å; M133-Q135 PolarHBondContact O-N 3.3Å; Q135-K138 PolarHBondContact O-N 3.07Å; Q135-K139 WeakPolarHBondContact O-CG 3.34Å; Q135-K139 PolarHBondContact O-N 3.07Å
136	R	94.4	Very high	93.2	Very high	145 Å²	145	113.3 Å²	113.3	55%	0.547	53%	0.531	S	S	.	.	H	α-helix	trans	-61	-43.5	174.9	-74.9	176.5	177.1	160.2	0.5	111.9	L132 M133 K139 K140	L132-R136 WeakPolarHBondContact O-CG 3.45Å; L132-R136 PolarHBondContact O-N 3.42Å; M133-R136 PolarHBondContact O-N 3.42Å; R136-K139 PolarHBondContact O-N 3.43Å; R136-K140 WeakPolarHBondContact O-CB 3.33Å; R136-K140 PolarHBondContact O-N 3.47Å
137	L	89.7	Confident	93.2	Very high	113 Å²	113	112.9 Å²	112.9	59%	0.592	53%	0.529	S	S	*	.	H	α-helix	trans	-64.7	-44.1	178.6	-171.5	68.3	0	0	0	111.4	M133 R134 K139 K140 C141	M133-L137 WeakPolarHBondContact O-CB 3.44Å; M133-L137 PolarHBondContact O-N 3.24Å; R134-L137 PolarHBondContact O-N 3.04Å; L137-K139 PolarHBondContact O-N 3.08Å; L137-K140 PolarHBondContact O-N 3.43Å; L137-C141 WeakPolarHBondContact O-CB 3.47Å; L137-C141 PolarHBondContact O-N 3.03Å; L137-C141 PolarHBondContact O-SG 2.73Å
138	K	94	Very high	93	Very high	154 Å²	154	112 Å²	112	67%	0.67	53%	0.528	S	S	*	.	H	α-helix	trans	-58.7	-47.9	176.2	-78.4	179.5	179.1	-177.6	0	112.1	R134 Q135 K140 C141 E142	R134-K138 WeakPolarHBondContact O-CB 3.43Å; R134-K138 WeakPolarHBondContact O-CG 3.44Å; R134-K138 PolarHBondContact O-N 3.44Å; Q135-K138 PolarHBondContact O-N 3.07Å; K138-K140 PolarHBondContact O-N 3.38Å; K138-C141 PolarHBondContact O-N 3.47Å; K138-E142 WeakPolarHBondContact O-CB 3.4Å; K138-E142 PolarHBondContact O-N 3.31Å
139	K	94.9	Very high	93	Very high	137 Å²	137	109 Å²	109	60%	0.596	52%	0.517	S	S	*	.	H	α-helix	trans	-58.8	-46.4	176.4	-73.3	-176.7	178.2	-175.3	0	111.8	Q135 R136 L137 C141 E142 E143	Q135-K139 WeakPolarHBondContact O-CG 3.34Å; Q135-K139 PolarHBondContact O-N 3.07Å; R136-K139 PolarHBondContact O-N 3.43Å; L137-K139 PolarHBondContact O-N 3.08Å; K139-C141 VanDerWaalsContact C-N 3.35Å; K139-C141 PolarHBondContact O-N 3.28Å; K139-E142 PolarHBondContact O-N 3.23Å; K139-E143 WeakPolarHBondContact O-CG 3.45Å; K139-E143 PolarHBondContact O-N 3.48Å
140	K	92.5	Very high	93.1	Very high	131 Å²	131	109.3 Å²	109.3	57%	0.57	52%	0.518	S	S	*	.	H	α-helix	trans	-62.8	-40.2	177.8	-169.6	176.2	-178.4	-178.1	0	112.2	R136 L137 K138 E142 L144	R136-K140 WeakPolarHBondContact O-CB 3.33Å; R136-K140 PolarHBondContact O-N 3.47Å; L137-K140 PolarHBondContact O-N 3.43Å; K138-K140 PolarHBondContact O-N 3.38Å; K140-E142 VanDerWaalsContact C-N 3.33Å; K140-L144 HydrophobicContact CG-CD1 4.23Å; K140-L144 WeakPolarHBondContact O-CB 3.41Å; K140-L144 VanDerWaalsContact O-CG 3.22Å; K140-L144 WeakPolarHBondContact O-CG 3.4Å; K140-L144 PolarHBondContact O-N 2.96Å
141	C	89.9	Confident	93.3	Very high	71 Å²	71	109.3 Å²	109.3	48%	0.48	52%	0.52	S	S	.	.	H	α-helix	trans	-64.4	-38.5	175.1	-72	0	0	0	0	112	L137 K138 K139 K145	L137-C141 WeakPolarHBondContact O-CB 3.47Å; L137-C141 PolarHBondContact O-N 3.03Å; L137-C141 PolarHBondContact O-SG 2.73Å; K138-C141 PolarHBondContact O-N 3.47Å; K139-C141 VanDerWaalsContact C-N 3.35Å; K139-C141 PolarHBondContact O-N 3.28Å; C141-K145 VanDerWaalsContact O-CB 3.28Å; C141-K145 WeakPolarHBondContact O-CB 3.37Å; C141-K145 PolarHBondContact O-N 3.37Å
142	E	94.5	Very high	93.2	Very high	124 Å²	124	107.8 Å²	107.8	58%	0.579	51%	0.514	S	S	*	.	H	α-helix	trans	-69.7	-44.2	178	-168.6	169.1	-165.7	0	0	112	K138 K139 K140 L144 K145 N146	K138-E142 WeakPolarHBondContact O-CB 3.4Å; K138-E142 PolarHBondContact O-N 3.31Å; K139-E142 PolarHBondContact O-N 3.23Å; K140-E142 VanDerWaalsContact C-N 3.33Å; E142-L144 PolarHBondContact O-N 3Å; E142-K145 PolarHBondContact O-N 3.01Å; E142-N146 VanDerWaalsContact O-CG 3.23Å; E142-N146 PolarHBondContact O-N 3.38Å; E142-N146 PolarHBondContact O-ND2 3.11Å
143	E	93.7	Very high	93.2	Very high	117 Å²	117	110.9 Å²	110.9	55%	0.547	53%	0.527	S	S	.	.	H	α-helix	trans	-58.7	-47.2	172.3	-73.2	169.1	-172.7	0	0	111.7	K139 K145 N146 N147	K139-E143 WeakPolarHBondContact O-CG 3.45Å; K139-E143 PolarHBondContact O-N 3.48Å; E143-K145 VanDerWaalsContact C-N 3.33Å; E143-K145 PolarHBondContact O-N 3.33Å; E143-N146 PolarHBondContact O-N 3.44Å; E143-N147 WeakPolarHBondContact O-CB 3.37Å; E143-N147 PolarHBondContact O-N 3.37Å; E143-N147 PolarHBondContact O-OD1 3.03Å
144	L	92.2	Very high	93.4	Very high	95 Å²	95	109.9 Å²	109.9	50%	0.497	52%	0.521	S	S	.	.	H	α-helix	trans	-62.2	-40.5	176.7	-75.4	171.8	0	0	0	111.9	K140 E142 T148	K140-L144 HydrophobicContact CG-CD1 4.23Å; K140-L144 WeakPolarHBondContact O-CB 3.41Å; K140-L144 VanDerWaalsContact O-CG 3.22Å; K140-L144 WeakPolarHBondContact O-CG 3.4Å; K140-L144 PolarHBondContact O-N 2.96Å; E142-L144 PolarHBondContact O-N 3Å; L144-T148 VanDerWaalsContact O-CB 3.3Å; L144-T148 WeakPolarHBondContact O-CB 3.33Å; L144-T148 PolarHBondContact O-N 3.15Å; L144-T148 PolarHBondContact O-OG1 3.26Å
145	K	93.3	Very high	93.5	Very high	135 Å²	135	107.3 Å²	107.3	59%	0.587	52%	0.515	S	S	*	.	H	α-helix	trans	-63.3	-45.2	176.7	-177.7	178.5	178.7	-174.9	0	111.2	C141 E142 E143 T148 N149	C141-K145 VanDerWaalsContact O-CB 3.28Å; C141-K145 WeakPolarHBondContact O-CB 3.37Å; C141-K145 PolarHBondContact O-N 3.37Å; E142-K145 PolarHBondContact O-N 3.01Å; E143-K145 VanDerWaalsContact C-N 3.33Å; E143-K145 PolarHBondContact O-N 3.33Å; K145-T148 PolarHBondContact O-N 3.25Å; K145-N149 WeakPolarHBondContact O-CB 3.27Å; K145-N149 PolarHBondContact O-N 2.91Å; K145-N149 PolarHBondContact O-OD1 3.49Å
146	N	94.8	Very high	93.5	Very high	89 Å²	89	108.4 Å²	108.4	48%	0.476	52%	0.519	S	S	.	.	H	α-helix	trans	-64.7	-45.5	179	-67.7	-15.6	0	0	0	111.5	E142 E143 T148 N149 Q150	E142-N146 VanDerWaalsContact O-CG 3.23Å; E142-N146 PolarHBondContact O-N 3.38Å; E142-N146 PolarHBondContact O-ND2 3.11Å; E143-N146 PolarHBondContact O-N 3.44Å; N146-T148 VanDerWaalsContact C-N 3.31Å; N146-T148 PolarHBondContact O-N 3.44Å; N146-N149 PolarHBondContact O-N 2.95Å; N146-Q150 PolarHBondContact O-N 2.91Å
147	N	93.5	Very high	93.6	Very high	89 Å²	89	107.7 Å²	107.7	48%	0.476	52%	0.523	S	S	.	.	H	α-helix	trans	-61.3	-41	175.9	-68.4	-9.3	0	0	0	111.7	E143 Q150 I151	E143-N147 WeakPolarHBondContact O-CB 3.37Å; E143-N147 PolarHBondContact O-N 3.37Å; E143-N147 PolarHBondContact O-OD1 3.03Å; N147-Q150 PolarHBondContact O-N 3.37Å; N147-I151 WeakPolarHBondContact O-CD1 3.39Å; N147-I151 VanDerWaalsContact O-CG1 3.28Å; N147-I151 WeakPolarHBondContact O-CG1 3.28Å; N147-I151 PolarHBondContact O-N 2.7Å; N147-I151 VanDerWaalsContact O-N 3.09Å
148	T	90.7	Very high	93.8	Very high	74 Å²	74	107.1 Å²	107.1	45%	0.454	52%	0.517	S	S	.	.	H	α-helix	trans	-66.6	-43.2	178.6	-55.8	0	0	0	0	111.1	L144 K145 N146 Q150 I151 I152	L144-T148 VanDerWaalsContact O-CB 3.3Å; L144-T148 WeakPolarHBondContact O-CB 3.33Å; L144-T148 PolarHBondContact O-N 3.15Å; L144-T148 PolarHBondContact O-OG1 3.26Å; K145-T148 PolarHBondContact O-N 3.25Å; N146-T148 VanDerWaalsContact C-N 3.31Å; N146-T148 PolarHBondContact O-N 3.44Å; T148-Q150 PolarHBondContact O-N 3.06Å; T148-I151 PolarHBondContact O-N 2.97Å; T148-I152 HydrophobicContact CG2-CD1 4Å; T148-I152 VanDerWaalsContact O-CG1 3.28Å; T148-I152 WeakPolarHBondContact O-CG1 3.39Å; T148-I152 PolarHBondContact O-N 3.23Å
149	N	94.3	Very high	93.6	Very high	70 Å²	70	102.8 Å²	102.8	37%	0.374	50%	0.503	S	S	.	.	H	α-helix	trans	-62.5	-42.2	177	-72.7	-8.2	0	0	0	111.8	K145 N146 I151 I152 E153	K145-N149 WeakPolarHBondContact O-CB 3.27Å; K145-N149 PolarHBondContact O-N 2.91Å; K145-N149 PolarHBondContact O-OD1 3.49Å; N146-N149 PolarHBondContact O-N 2.95Å; N149-I151 VanDerWaalsContact C-N 3.35Å; N149-I151 PolarHBondContact O-N 3.47Å; N149-I152 WeakPolarHBondContact O-CB 3.28Å; N149-I152 PolarHBondContact O-N 3.5Å; N149-I152 VanDerWaalsContact O-N 3.15Å; N149-E153 WeakPolarHBondContact O-CG 3.44Å; N149-E153 PolarHBondContact O-N 3.42Å
150	Q	95	Very high	93.6	Very high	107 Å²	107	100.2 Å²	100.2	50%	0.5	49%	0.493	S	S	.	.	H	α-helix	trans	-60.6	-43.7	175.8	-174.1	179.6	-4.3	0	0	111.8	N146 N147 T148 I152 E153 E154	N146-Q150 PolarHBondContact O-N 2.91Å; N147-Q150 PolarHBondContact O-N 3.37Å; T148-Q150 PolarHBondContact O-N 3.06Å; Q150-I152 VanDerWaalsContact C-N 3.3Å; Q150-I152 PolarHBondContact O-N 3.32Å; Q150-E153 PolarHBondContact O-N 2.94Å; Q150-E154 WeakPolarHBondContact O-CG 3.4Å; Q150-E154 PolarHBondContact O-N 2.73Å
151	I	94.4	Very high	93.8	Very high	95 Å²	95	98.2 Å²	98.2	49%	0.487	49%	0.488	S	S	.	.	H	α-helix	trans	-63.7	-38.2	176	-66.8	164.8	0	0	0	111	N147 T148 N149 K155	N147-I151 WeakPolarHBondContact O-CD1 3.39Å; N147-I151 VanDerWaalsContact O-CG1 3.28Å; N147-I151 WeakPolarHBondContact O-CG1 3.28Å; N147-I151 PolarHBondContact O-N 2.7Å; N147-I151 VanDerWaalsContact O-N 3.09Å; T148-I151 PolarHBondContact O-N 2.97Å; N149-I151 VanDerWaalsContact C-N 3.35Å; N149-I151 PolarHBondContact O-N 3.47Å; I151-K155 HydrophobicContact CG2-CG 4.33Å; I151-K155 WeakPolarHBondContact O-CB 3.39Å; I151-K155 WeakPolarHBondContact O-CG 3.21Å; I151-K155 PolarHBondContact O-N 2.78Å
152	I	93.2	Very high	94	Very high	79 Å²	79	100 Å²	100	41%	0.405	49%	0.492	S	S	.	.	H	α-helix	trans	-63.2	-47.8	176.7	-70.3	165.4	0	0	0	110.3	T148 N149 Q150 E154 K155 E156	T148-I152 HydrophobicContact CG2-CD1 4Å; T148-I152 VanDerWaalsContact O-CG1 3.28Å; T148-I152 WeakPolarHBondContact O-CG1 3.39Å; T148-I152 PolarHBondContact O-N 3.23Å; N149-I152 WeakPolarHBondContact O-CB 3.28Å; N149-I152 PolarHBondContact O-N 3.5Å; N149-I152 VanDerWaalsContact O-N 3.15Å; Q150-I152 VanDerWaalsContact C-N 3.3Å; Q150-I152 PolarHBondContact O-N 3.32Å; I152-E154 PolarHBondContact O-N 3.07Å; I152-K155 PolarHBondContact O-N 3.26Å; I152-K155 VanDerWaalsContact O-N 3.11Å; I152-E156 HydrophobicContact CG2-CG 4.29Å; I152-E156 WeakPolarHBondContact O-CG 3.17Å; I152-E156 PolarHBondContact O-N 3.34Å
153	E	95.4	Very high	94	Very high	130 Å²	130	100.7 Å²	100.7	61%	0.607	49%	0.489	S	S	*	.	H	α-helix	trans	-59.1	-46.5	178.1	-72.3	173.9	-173.6	0	0	111.9	N149 Q150 K155 E156 E157	N149-E153 WeakPolarHBondContact O-CG 3.44Å; N149-E153 PolarHBondContact O-N 3.42Å; Q150-E153 PolarHBondContact O-N 2.94Å; E153-K155 VanDerWaalsContact C-N 3.26Å; E153-K155 PolarHBondContact O-N 3Å; E153-E156 PolarHBondContact O-N 3.01Å; E153-E157 PolarHBondContact O-N 3.32Å
154	E	94.9	Very high	94.1	Very high	89 Å²	89	98.9 Å²	98.9	42%	0.416	48%	0.481	S	S	.	.	H	α-helix	trans	-60.6	-36.5	175.6	-72.7	175.6	-171.1	0	0	112.3	Q150 I152 Q158	Q150-E154 WeakPolarHBondContact O-CG 3.4Å; Q150-E154 PolarHBondContact O-N 2.73Å; I152-E154 PolarHBondContact O-N 3.07Å; E154-Q158 VanDerWaalsContact O-CG 3.27Å; E154-Q158 WeakPolarHBondContact O-CG 3.13Å; E154-Q158 PolarHBondContact O-N 2.93Å; E154-Q158 VanDerWaalsContact O-N 3.1Å
155	K	94.2	Very high	94.3	Very high	111 Å²	111	100 Å²	100	48%	0.483	48%	0.482	S	S	.	.	H	α-helix	trans	-73.4	-40.1	178	-70.9	-71.3	160.2	-159.4	0	111.6	I151 I152 E153 E157 Q158 T159	I151-K155 HydrophobicContact CG2-CG 4.33Å; I151-K155 WeakPolarHBondContact O-CB 3.39Å; I151-K155 WeakPolarHBondContact O-CG 3.21Å; I151-K155 PolarHBondContact O-N 2.78Å; I152-K155 PolarHBondContact O-N 3.26Å; I152-K155 VanDerWaalsContact O-N 3.11Å; E153-K155 VanDerWaalsContact C-N 3.26Å; E153-K155 PolarHBondContact O-N 3Å; K155-E157 VanDerWaalsContact C-N 3.34Å; K155-Q158 PolarHBondContact O-N 3.33Å; K155-T159 WeakPolarHBondContact O-CG2 3.49Å; K155-T159 PolarHBondContact O-N 3.33Å; K155-T159 PolarHBondContact O-OG1 3.1Å
156	E	94.8	Very high	94.3	Very high	121 Å²	121	98.7 Å²	98.7	57%	0.565	48%	0.481	S	S	*	.	H	α-helix	trans	-60.4	-44.9	174.9	-74.3	179.8	169	0	0	110.9	I152 E153 Q158 T159 E160	I152-E156 HydrophobicContact CG2-CG 4.29Å; I152-E156 WeakPolarHBondContact O-CG 3.17Å; I152-E156 PolarHBondContact O-N 3.34Å; E153-E156 PolarHBondContact O-N 3.01Å; E156-Q158 PolarHBondContact O-N 3.01Å; E156-T159 WeakPolarHBondContact CA-OG1 3.13Å; E156-T159 PolarHBondContact O-N 3.11Å; E156-T159 VanDerWaalsContact O-N 3.15Å; E156-T159 PolarHBondContact O-OG1 2.71Å; E156-E160 PolarHBondContact O-N 3.08Å
157	E	95.5	Very high	94.4	Very high	131 Å²	131	99.7 Å²	99.7	61%	0.612	48%	0.481	S	S	*	.	H	α-helix	trans	-59.8	-46.3	174.7	-171	-178.8	-177.8	0	0	111.9	E153 K155 T159 E160 I161	E153-E157 PolarHBondContact O-N 3.32Å; K155-E157 VanDerWaalsContact C-N 3.34Å; E157-T159 VanDerWaalsContact C-N 3.31Å; E157-T159 PolarHBondContact O-N 3.46Å; E157-E160 PolarHBondContact O-N 3.2Å; E157-I161 HydrophobicContact CG-CD1 4.35Å; E157-I161 WeakPolarHBondContact O-CG1 3.37Å; E157-I161 PolarHBondContact O-N 3.38Å; E157-I161 VanDerWaalsContact O-N 3.08Å
158	Q	93.7	Very high	94.5	Very high	101 Å²	101	101.5 Å²	101.5	47%	0.472	49%	0.486	S	S	.	.	H	α-helix	trans	-59.7	-40.3	175	-75.1	172.5	14.2	0	0	112.2	E154 K155 E156 E160 L162	E154-Q158 VanDerWaalsContact O-CG 3.27Å; E154-Q158 WeakPolarHBondContact O-CG 3.13Å; E154-Q158 PolarHBondContact O-N 2.93Å; E154-Q158 VanDerWaalsContact O-N 3.1Å; K155-Q158 PolarHBondContact O-N 3.33Å; E156-Q158 PolarHBondContact O-N 3.01Å; Q158-E160 VanDerWaalsContact C-N 3.34Å; Q158-L162 PolarHBondContact O-N 2.97Å; Q158-L162 VanDerWaalsContact O-N 3.11Å
159	T	90.5	Very high	94.6	Very high	62 Å²	62	102.7 Å²	102.7	38%	0.38	49%	0.489	S	S	.	.	H	α-helix	trans	-67.7	-34.7	177.7	60.6	0	0	0	0	112.6	K155 E156 E157 L162 R163	K155-T159 WeakPolarHBondContact O-CG2 3.49Å; K155-T159 PolarHBondContact O-N 3.33Å; K155-T159 PolarHBondContact O-OG1 3.1Å; E156-T159 WeakPolarHBondContact CA-OG1 3.13Å; E156-T159 PolarHBondContact O-N 3.11Å; E156-T159 VanDerWaalsContact O-N 3.15Å; E156-T159 PolarHBondContact O-OG1 2.71Å; E157-T159 VanDerWaalsContact C-N 3.31Å; E157-T159 PolarHBondContact O-N 3.46Å; T159-L162 PolarHBondContact O-N 2.85Å; T159-R163 WeakPolarHBondContact O-CG 3.46Å; T159-R163 PolarHBondContact O-N 2.72Å
160	E	95.6	Very high	94.6	Very high	84 Å²	84	102.5 Å²	102.5	39%	0.393	49%	0.493	S	S	.	.	H	α-helix	trans	-70	-42	178.9	-162.7	58.2	-153.6	0	0	111.4	E156 E157 Q158 L162 R163 E164	E156-E160 PolarHBondContact O-N 3.08Å; E157-E160 PolarHBondContact O-N 3.2Å; Q158-E160 VanDerWaalsContact C-N 3.34Å; E160-L162 VanDerWaalsContact C-N 3.26Å; E160-L162 PolarHBondContact O-N 3.2Å; E160-R163 PolarHBondContact O-N 3.45Å; E160-R163 IonicContact OE2-CZ 2.77Å; E160-R163 IonicContact OE2-NH1 2.77Å; E160-R163 PolarHBondContact OE2-NH1 2.88Å; E160-E164 PolarHBondContact O-N 3.46Å
161	I	95.9	Very high	94.7	Very high	89 Å²	89	102.2 Å²	102.2	46%	0.456	49%	0.494	S	S	.	.	H	α-helix	trans	-58.2	-41.5	172.1	-65.2	166.7	0	0	0	110.8	E157 E164 K165	E157-I161 HydrophobicContact CG-CD1 4.35Å; E157-I161 WeakPolarHBondContact O-CG1 3.37Å; E157-I161 PolarHBondContact O-N 3.38Å; E157-I161 VanDerWaalsContact O-N 3.08Å; I161-E164 PolarHBondContact O-N 3.11Å; I161-K165 WeakPolarHBondContact O-CG 3.4Å; I161-K165 PolarHBondContact O-N 3.24Å; I161-K165 VanDerWaalsContact O-N 3.11Å
162	L	93.8	Very high	94.8	Very high	109 Å²	109	102.5 Å²	102.5	57%	0.571	50%	0.496	S	S	*	.	H	α-helix	trans	-68.6	-38.6	179.6	-158.2	76	0	0	0	112	Q158 T159 E160 K165 L166	Q158-L162 PolarHBondContact O-N 2.97Å; Q158-L162 VanDerWaalsContact O-N 3.11Å; T159-L162 PolarHBondContact O-N 2.85Å; E160-L162 VanDerWaalsContact C-N 3.26Å; E160-L162 PolarHBondContact O-N 3.2Å; L162-K165 PolarHBondContact O-N 3.08Å; L162-L166 WeakPolarHBondContact O-CG 3.4Å; L162-L166 PolarHBondContact O-N 3.12Å
163	R	95.4	Very high	94.8	Very high	137 Å²	137	101.5 Å²	101.5	52%	0.517	49%	0.493	S	S	.	.	H	α-helix	trans	-62	-42.4	174.5	-74.9	173.9	-168.7	156.8	1.7	111.7	T159 E160 L166 K167	T159-R163 WeakPolarHBondContact O-CG 3.46Å; T159-R163 PolarHBondContact O-N 2.72Å; E160-R163 PolarHBondContact O-N 3.45Å; E160-R163 IonicContact OE2-CZ 2.77Å; E160-R163 IonicContact OE2-NH1 2.77Å; E160-R163 PolarHBondContact OE2-NH1 2.88Å; R163-L166 PolarHBondContact O-N 3.31Å; R163-K167 WeakPolarHBondContact O-CG 3.48Å; R163-K167 PolarHBondContact O-N 3.15Å
164	E	95.8	Very high	94.8	Very high	79 Å²	79	99.7 Å²	99.7	37%	0.369	49%	0.488	S	S	.	.	H	α-helix	trans	-63.2	-42.1	175.8	-76.9	-57.1	131.9	0	0	112.2	E160 I161 L166 K167 Q168	E160-E164 PolarHBondContact O-N 3.46Å; I161-E164 PolarHBondContact O-N 3.11Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 2.83Å; E164-K167 PolarHBondContact O-N 3.07Å; E164-K167 IonicContact OE1-NZ 3.77Å; E164-K167 PolarHBondContact OE1-NZ 3.23Å; E164-Q168 WeakPolarHBondContact O-CG 3.14Å; E164-Q168 PolarHBondContact O-N 2.9Å; E164-Q168 VanDerWaalsContact O-N 3.07Å
165	K	95.9	Very high	94.8	Very high	120 Å²	120	101.1 Å²	101.1	52%	0.522	50%	0.495	S	S	.	.	H	α-helix	trans	-61.8	-39.4	173.1	-71.8	-179.6	178.8	-177.5	0	112.5	I161 L162 Q168 I169	I161-K165 WeakPolarHBondContact O-CG 3.4Å; I161-K165 PolarHBondContact O-N 3.24Å; I161-K165 VanDerWaalsContact O-N 3.11Å; L162-K165 PolarHBondContact O-N 3.08Å; K165-Q168 PolarHBondContact O-N 2.97Å; K165-I169 WeakPolarHBondContact O-CG1 3.4Å; K165-I169 PolarHBondContact O-N 3.22Å
166	L	93.9	Very high	94.8	Very high	106 Å²	106	100.2 Å²	100.2	56%	0.555	50%	0.495	S	S	*	.	H	α-helix	trans	-64.6	-39.7	176.2	-76.5	170.2	0	0	0	112.1	L162 R163 E164 Q168 I169 S170	L162-L166 WeakPolarHBondContact O-CG 3.4Å; L162-L166 PolarHBondContact O-N 3.12Å; R163-L166 PolarHBondContact O-N 3.31Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 2.83Å; L166-Q168 VanDerWaalsContact C-N 3.34Å; L166-Q168 PolarHBondContact O-N 2.98Å; L166-I169 PolarHBondContact O-N 3.29Å; L166-S170 PolarHBondContact O-N 3.33Å
167	K	95.4	Very high	94.8	Very high	110 Å²	110	99.7 Å²	99.7	48%	0.478	49%	0.492	S	S	.	.	H	α-helix	trans	-60.5	-44.3	173.6	-69.6	174.4	-170.6	168.2	0	111.4	R163 E164 I169 S170 I171	R163-K167 WeakPolarHBondContact O-CG 3.48Å; R163-K167 PolarHBondContact O-N 3.15Å; E164-K167 PolarHBondContact O-N 3.07Å; E164-K167 IonicContact OE1-NZ 3.77Å; E164-K167 PolarHBondContact OE1-NZ 3.23Å; K167-I169 PolarHBondContact O-N 2.61Å; K167-S170 WeakPolarHBondContact O-CB 3.48Å; K167-S170 PolarHBondContact O-N 3.46Å; K167-I171 WeakPolarHBondContact O-CG1 3.3Å; K167-I171 PolarHBondContact O-N 3.01Å; K167-I171 VanDerWaalsContact O-N 3.11Å
168	Q	95.6	Very high	94.7	Very high	128 Å²	128	100 Å²	100	60%	0.598	49%	0.492	S	S	*	.	H	α-helix	trans	-61.5	-43.6	177	-68.7	173.4	23.2	0	0	112.2	E164 K165 L166 S170 I171 L172	E164-Q168 WeakPolarHBondContact O-CG 3.14Å; E164-Q168 PolarHBondContact O-N 2.9Å; E164-Q168 VanDerWaalsContact O-N 3.07Å; K165-Q168 PolarHBondContact O-N 2.97Å; L166-Q168 VanDerWaalsContact C-N 3.34Å; L166-Q168 PolarHBondContact O-N 2.98Å; Q168-S170 VanDerWaalsContact C-N 3.33Å; Q168-S170 PolarHBondContact O-N 2.82Å; Q168-I171 PolarHBondContact O-N 3.49Å; Q168-L172 PolarHBondContact O-N 3.07Å
169	I	93.9	Very high	94.7	Very high	99 Å²	99	100.7 Å²	100.7	51%	0.508	50%	0.495	S	S	.	.	H	α-helix	trans	-63.5	-39.1	176.7	-69.2	166.4	0	0	0	111.3	K165 L166 K167 L172 T173	K165-I169 WeakPolarHBondContact O-CG1 3.4Å; K165-I169 PolarHBondContact O-N 3.22Å; L166-I169 PolarHBondContact O-N 3.29Å; K167-I169 PolarHBondContact O-N 2.61Å; I169-L172 PolarHBondContact O-N 2.69Å; I169-T173 WeakPolarHBondContact O-CB 3.06Å; I169-T173 PolarHBondContact O-N 2.94Å; I169-T173 PolarHBondContact O-OG1 3.26Å
170	S	95	Very high	94.9	Very high	66 Å²	66	101.9 Å²	101.9	46%	0.462	50%	0.502	S	S	.	.	H	α-helix	trans	-60.7	-47.5	176.9	-167	0	0	0	0	111.3	L166 K167 Q168 L172 T173 D174	L166-S170 PolarHBondContact O-N 3.33Å; K167-S170 WeakPolarHBondContact O-CB 3.48Å; K167-S170 PolarHBondContact O-N 3.46Å; Q168-S170 VanDerWaalsContact C-N 3.33Å; Q168-S170 PolarHBondContact O-N 2.82Å; S170-L172 VanDerWaalsContact C-N 3.34Å; S170-L172 PolarHBondContact O-N 3.11Å; S170-T173 WeakPolarHBondContact O-CB 3.33Å; S170-T173 PolarHBondContact O-N 3.3Å; S170-T173 VanDerWaalsContact O-N 3.15Å; S170-D174 PolarHBondContact O-N 3.1Å
171	I	96.1	Very high	94.8	Very high	100 Å²	100	104.2 Å²	104.2	51%	0.513	51%	0.513	S	S	.	.	H	α-helix	trans	-59.4	-46.8	177.7	-65.4	165.2	0	0	0	110.5	K167 Q168 T173 D174 E175	K167-I171 WeakPolarHBondContact O-CG1 3.3Å; K167-I171 PolarHBondContact O-N 3.01Å; K167-I171 VanDerWaalsContact O-N 3.11Å; Q168-I171 PolarHBondContact O-N 3.49Å; I171-T173 VanDerWaalsContact C-N 3.25Å; I171-T173 PolarHBondContact O-N 2.68Å; I171-D174 PolarHBondContact O-N 3.48Å; I171-E175 WeakPolarHBondContact O-CG 3.39Å; I171-E175 PolarHBondContact O-N 3.05Å
172	L	95.8	Very high	94.7	Very high	101 Å²	101	104.4 Å²	104.4	53%	0.529	52%	0.515	S	S	.	.	H	α-helix	trans	-63.3	-33	178.6	-163.5	106.4	0	0	0	112.3	Q168 I169 S170 L176	Q168-L172 PolarHBondContact O-N 3.07Å; I169-L172 PolarHBondContact O-N 2.69Å; S170-L172 VanDerWaalsContact C-N 3.34Å; S170-L172 PolarHBondContact O-N 3.11Å; L172-L176 HydrophobicContact CD2-CD1 4.15Å; L172-L176 WeakPolarHBondContact O-CB 3.45Å; L172-L176 WeakPolarHBondContact O-CG 3.29Å; L172-L176 PolarHBondContact O-N 3.29Å
173	T	93.7	Very high	94.7	Very high	58 Å²	58	103.5 Å²	103.5	36%	0.356	51%	0.511	S	S	.	.	H	α-helix	trans	-69.1	-42.6	177.4	-55.9	0	0	0	0	111	I169 S170 I171 E175 L176 Q177	I169-T173 WeakPolarHBondContact O-CB 3.06Å; I169-T173 PolarHBondContact O-N 2.94Å; I169-T173 PolarHBondContact O-OG1 3.26Å; S170-T173 WeakPolarHBondContact O-CB 3.33Å; S170-T173 PolarHBondContact O-N 3.3Å; S170-T173 VanDerWaalsContact O-N 3.15Å; I171-T173 VanDerWaalsContact C-N 3.25Å; I171-T173 PolarHBondContact O-N 2.68Å; T173-E175 VanDerWaalsContact C-N 3.33Å; T173-L176 PolarHBondContact O-N 3.43Å; T173-Q177 WeakPolarHBondContact O-CG 3.47Å; T173-Q177 PolarHBondContact O-N 3.11Å
174	D	95.4	Very high	94.6	Very high	93 Å²	93	103.7 Å²	103.7	50%	0.497	52%	0.515	S	S	.	.	H	α-helix	trans	-65.2	-38.7	177.1	-64.6	-19.8	0	0	0	111.1	S170 I171 Q177 K178	S170-D174 PolarHBondContact O-N 3.1Å; I171-D174 PolarHBondContact O-N 3.48Å; D174-Q177 PolarHBondContact O-N 3.04Å; D174-K178 PolarHBondContact O-N 3.04Å; D174-K178 VanDerWaalsContact O-N 3.08Å
175	E	95.6	Very high	94.5	Very high	119 Å²	119	102.9 Å²	102.9	56%	0.556	52%	0.517	S	S	*	.	H	α-helix	trans	-62.2	-47.8	173.7	-73.3	175.7	176.5	0	0	112	I171 T173 Q177 K178 E179	I171-E175 WeakPolarHBondContact O-CG 3.39Å; I171-E175 PolarHBondContact O-N 3.05Å; T173-E175 VanDerWaalsContact C-N 3.33Å; E175-Q177 VanDerWaalsContact C-N 3.35Å; E175-Q177 PolarHBondContact O-N 2.96Å; E175-K178 PolarHBondContact O-N 2.96Å; E175-E179 PolarHBondContact O-N 2.74Å; E175-E179 VanDerWaalsContact O-N 3.07Å
176	L	93.7	Very high	94.4	Very high	92 Å²	92	102.1 Å²	102.1	48%	0.482	52%	0.518	S	S	.	.	H	α-helix	trans	-62.2	-41.3	176.2	-79.1	169.9	0	0	0	111.9	L172 T173 K178 E179 T180	L172-L176 HydrophobicContact CD2-CD1 4.15Å; L172-L176 WeakPolarHBondContact O-CB 3.45Å; L172-L176 WeakPolarHBondContact O-CG 3.29Å; L172-L176 PolarHBondContact O-N 3.29Å; T173-L176 PolarHBondContact O-N 3.43Å; L176-K178 VanDerWaalsContact C-N 3.31Å; L176-K178 PolarHBondContact O-N 3.48Å; L176-E179 PolarHBondContact O-N 3.29Å; L176-T180 VanDerWaalsContact O-CG2 3.32Å; L176-T180 WeakPolarHBondContact O-CG2 3.43Å; L176-T180 PolarHBondContact O-N 3.22Å; L176-T180 PolarHBondContact O-OG1 2.86Å
177	Q	94.3	Very high	94.3	Very high	109 Å²	109	103.1 Å²	103.1	51%	0.509	52%	0.522	S	S	.	.	H	α-helix	trans	-60.2	-44.4	177.6	-79.1	-179.7	-3	0	0	111.3	T173 D174 E175 E179 T180 E181	T173-Q177 WeakPolarHBondContact O-CG 3.47Å; T173-Q177 PolarHBondContact O-N 3.11Å; D174-Q177 PolarHBondContact O-N 3.04Å; E175-Q177 VanDerWaalsContact C-N 3.35Å; E175-Q177 PolarHBondContact O-N 2.96Å; Q177-E179 PolarHBondContact O-N 3.36Å; Q177-T180 PolarHBondContact O-N 2.98Å; Q177-T180 PolarHBondContact O-OG1 3.11Å; Q177-E181 WeakPolarHBondContact O-CG 3.07Å; Q177-E181 PolarHBondContact O-N 3.33Å
178	K	94.7	Very high	94.3	Very high	139 Å²	139	102.3 Å²	102.3	60%	0.604	52%	0.519	S	S	*	.	H	α-helix	trans	-60.7	-44.5	176.5	-171.4	-177.4	175.6	-172	0	112.3	D174 E175 L176 T180 E181 D182	D174-K178 PolarHBondContact O-N 3.04Å; D174-K178 VanDerWaalsContact O-N 3.08Å; E175-K178 PolarHBondContact O-N 2.96Å; L176-K178 VanDerWaalsContact C-N 3.31Å; L176-K178 PolarHBondContact O-N 3.48Å; K178-T180 VanDerWaalsContact C-N 3.32Å; K178-T180 PolarHBondContact O-N 2.94Å; K178-E181 PolarHBondContact O-N 3.01Å; K178-D182 PolarHBondContact O-N 3.2Å; K178-D182 VanDerWaalsContact O-N 3.07Å
179	E	93.2	Very high	94.2	Very high	115 Å²	115	102.1 Å²	102.1	54%	0.537	52%	0.517	S	S	.	.	H	α-helix	trans	-61.3	-40.8	176.4	-171.8	174.9	-168.9	0	0	111.6	E175 L176 Q177 E181 D182 D183	E175-E179 PolarHBondContact O-N 2.74Å; E175-E179 VanDerWaalsContact O-N 3.07Å; L176-E179 PolarHBondContact O-N 3.29Å; Q177-E179 PolarHBondContact O-N 3.36Å; E179-E181 VanDerWaalsContact C-N 3.33Å; E179-E181 PolarHBondContact O-N 3.05Å; E179-D182 PolarHBondContact O-N 2.95Å; E179-D183 PolarHBondContact O-N 3.26Å
180	T	93.6	Very high	94.1	Very high	87 Å²	87	99.6 Å²	99.6	53%	0.534	51%	0.51	S	S	.	.	H	α-helix	trans	-67.7	-30.9	177.2	63.4	0	0	0	0	113.7	L176 Q177 K178 K184	L176-T180 VanDerWaalsContact O-CG2 3.32Å; L176-T180 WeakPolarHBondContact O-CG2 3.43Å; L176-T180 PolarHBondContact O-N 3.22Å; L176-T180 PolarHBondContact O-OG1 2.86Å; Q177-T180 PolarHBondContact O-N 2.98Å; Q177-T180 PolarHBondContact O-OG1 3.11Å; K178-T180 VanDerWaalsContact C-N 3.32Å; K178-T180 PolarHBondContact O-N 2.94Å; T180-K184 VanDerWaalsContact O-CB 3.3Å; T180-K184 WeakPolarHBondContact O-CB 3.45Å; T180-K184 PolarHBondContact O-N 3.18Å
181	E	93.9	Very high	94	Very high	133 Å²	133	102.7 Å²	102.7	62%	0.621	52%	0.515	S	S	*	.	H	α-helix	trans	-70.5	-40.6	174.4	-72.8	-178.7	170	0	0	111.3	Q177 K178 E179 K184 C185	Q177-E181 WeakPolarHBondContact O-CG 3.07Å; Q177-E181 PolarHBondContact O-N 3.33Å; K178-E181 PolarHBondContact O-N 3.01Å; E179-E181 VanDerWaalsContact C-N 3.33Å; E179-E181 PolarHBondContact O-N 3.05Å; E181-K184 PolarHBondContact O-N 3.28Å; E181-C185 WeakPolarHBondContact O-CB 3.34Å; E181-C185 PolarHBondContact O-N 3.39Å
182	D	93.6	Very high	93.9	Very high	92 Å²	92	102 Å²	102	49%	0.492	52%	0.516	S	S	.	.	H	α-helix	trans	-63.1	-46.1	175.1	-74.2	-25.4	0	0	0	111	K178 E179 K184 C185 I186	K178-D182 PolarHBondContact O-N 3.2Å; K178-D182 VanDerWaalsContact O-N 3.07Å; E179-D182 PolarHBondContact O-N 2.95Å; D182-K184 PolarHBondContact O-N 3.37Å; D182-C185 WeakPolarHBondContact O-CB 3.28Å; D182-C185 PolarHBondContact O-N 2.9Å; D182-I186 WeakPolarHBondContact O-CG1 3.35Å; D182-I186 PolarHBondContact O-N 3.47Å
183	D	94.1	Very high	93.8	Very high	90 Å²	90	103.4 Å²	103.4	48%	0.481	52%	0.52	S	S	.	.	H	α-helix	trans	-61.9	-42.3	176	-81.4	-12.2	0	0	0	112.4	E179 C185 I186 M187	E179-D183 PolarHBondContact O-N 3.26Å; D183-C185 VanDerWaalsContact C-N 3.31Å; D183-C185 PolarHBondContact O-N 3.5Å; D183-I186 PolarHBondContact O-N 2.82Å; D183-M187 WeakPolarHBondContact O-CB 3.33Å; D183-M187 PolarHBondContact O-N 3.38Å
184	K	94	Very high	93.8	Very high	141 Å²	141	104.2 Å²	104.2	61%	0.613	53%	0.527	S	S	*	.	H	α-helix	trans	-61.7	-40.2	175.7	-175	-179.6	178.6	-176.6	0	111.5	T180 E181 D182 M187 E188	T180-K184 VanDerWaalsContact O-CB 3.3Å; T180-K184 WeakPolarHBondContact O-CB 3.45Å; T180-K184 PolarHBondContact O-N 3.18Å; E181-K184 PolarHBondContact O-N 3.28Å; D182-K184 PolarHBondContact O-N 3.37Å; K184-M187 PolarHBondContact O-N 3.41Å; K184-E188 PolarHBondContact O-N 3.46Å
185	C	93.4	Very high	93.7	Very high	62 Å²	62	104.7 Å²	104.7	42%	0.419	53%	0.526	S	S	.	.	H	α-helix	trans	-62.7	-42.8	175.6	-179.3	0	0	0	0	111.7	E181 D182 D183 K189	E181-C185 WeakPolarHBondContact O-CB 3.34Å; E181-C185 PolarHBondContact O-N 3.39Å; D182-C185 WeakPolarHBondContact O-CB 3.28Å; D182-C185 PolarHBondContact O-N 2.9Å; D183-C185 VanDerWaalsContact C-N 3.31Å; D183-C185 PolarHBondContact O-N 3.5Å; C185-K189 WeakPolarHBondContact O-CG 3.28Å; C185-K189 PolarHBondContact O-N 3.35Å
186	I	93.7	Very high	93.6	Very high	104 Å²	104	101.9 Å²	101.9	53%	0.533	52%	0.52	S	S	.	.	H	α-helix	trans	-64.7	-43.5	176.1	-65.7	165.9	0	0	0	110.7	D182 D183 E188 K189 A190	D182-I186 WeakPolarHBondContact O-CG1 3.35Å; D182-I186 PolarHBondContact O-N 3.47Å; D183-I186 PolarHBondContact O-N 2.82Å; I186-E188 PolarHBondContact O-N 2.72Å; I186-K189 WeakPolarHBondContact O-CB 3.42Å; I186-K189 PolarHBondContact O-N 2.93Å; I186-A190 PolarHBondContact O-N 3.09Å
187	M	92.3	Very high	93.6	Very high	128 Å²	128	101.8 Å²	101.8	63%	0.631	52%	0.519	S	S	*	.	H	α-helix	trans	-62	-42.7	179.6	-169.7	-172.7	-60.7	0	0	112.3	D183 K184 A190 K191	D183-M187 WeakPolarHBondContact O-CB 3.33Å; D183-M187 PolarHBondContact O-N 3.38Å; K184-M187 PolarHBondContact O-N 3.41Å; M187-A190 PolarHBondContact O-N 3.27Å; M187-K191 WeakPolarHBondContact O-CB 3.5Å; M187-K191 PolarHBondContact O-N 3.32Å
188	E	93.8	Very high	93.7	Very high	92 Å²	92	101.4 Å²	101.4	43%	0.43	52%	0.52	S	S	.	.	H	α-helix	trans	-66.2	-36.5	176.3	-76.5	-61.8	149.4	0	0	112.3	K184 I186 K191 T192	K184-E188 PolarHBondContact O-N 3.46Å; I186-E188 PolarHBondContact O-N 2.72Å; E188-K191 PolarHBondContact O-N 2.89Å; E188-T192 WeakPolarHBondContact O-CG2 3.28Å; E188-T192 PolarHBondContact O-N 3.16Å; E188-T192 PolarHBondContact O-OG1 2.76Å
189	K	94.3	Very high	93.6	Very high	125 Å²	125	98.6 Å²	98.6	54%	0.543	51%	0.512	S	S	.	.	H	α-helix	trans	-63.7	-44.1	171.8	-71.9	173.7	-177.1	171.9	0	111.9	C185 I186 K191 T192 Q193	C185-K189 WeakPolarHBondContact O-CG 3.28Å; C185-K189 PolarHBondContact O-N 3.35Å; I186-K189 WeakPolarHBondContact O-CB 3.42Å; I186-K189 PolarHBondContact O-N 2.93Å; K189-K191 VanDerWaalsContact C-N 3.34Å; K189-K191 PolarHBondContact O-N 2.86Å; K189-T192 WeakPolarHBondContact CA-OG1 3.17Å; K189-T192 PolarHBondContact O-N 3.27Å; K189-T192 PolarHBondContact O-OG1 3.3Å; K189-Q193 WeakPolarHBondContact O-CG 3.31Å; K189-Q193 PolarHBondContact O-N 3.39Å; K189-Q193 VanDerWaalsContact O-N 3.11Å
190	A	91.8	Very high	93.7	Very high	45 Å²	45	98.4 Å²	98.4	37%	0.372	51%	0.511	S	S	.	.	H	α-helix	trans	-64	-40.8	176.6	0	0	0	0	0	111.5	I186 M187 Q193 C194	I186-A190 PolarHBondContact O-N 3.09Å; M187-A190 PolarHBondContact O-N 3.27Å; A190-Q193 PolarHBondContact O-N 3.4Å; A190-C194 PolarHBondContact O-N 3.34Å; A190-C194 PolarHBondContact O-SG 3.13Å
191	K	93.9	Very high	93.7	Very high	131 Å²	131	98.2 Å²	98.2	57%	0.57	51%	0.505	S	S	*	.	H	α-helix	trans	-63.1	-44.2	178	-174.9	-178.2	176	-171.6	0	112.5	M187 E188 K189 Q193 C194 Q195	M187-K191 WeakPolarHBondContact O-CB 3.5Å; M187-K191 PolarHBondContact O-N 3.32Å; E188-K191 PolarHBondContact O-N 2.89Å; K189-K191 VanDerWaalsContact C-N 3.34Å; K189-K191 PolarHBondContact O-N 2.86Å; K191-Q193 VanDerWaalsContact C-N 3.34Å; K191-C194 PolarHBondContact O-N 2.94Å; K191-Q195 PolarHBondContact O-N 3.49Å
192	T	93.5	Very high	93.7	Very high	87 Å²	87	97.2 Å²	97.2	53%	0.534	50%	0.501	S	S	.	.	H	α-helix	trans	-64.9	-37.7	176.7	47.5	0	0	0	0	112.1	E188 K189 Q195 S196	E188-T192 WeakPolarHBondContact O-CG2 3.28Å; E188-T192 PolarHBondContact O-N 3.16Å; E188-T192 PolarHBondContact O-OG1 2.76Å; K189-T192 WeakPolarHBondContact CA-OG1 3.17Å; K189-T192 PolarHBondContact O-N 3.27Å; K189-T192 PolarHBondContact O-OG1 3.3Å; T192-Q195 PolarHBondContact O-N 3.2Å; T192-S196 PolarHBondContact O-N 3.15Å
193	Q	94.2	Very high	93.8	Very high	129 Å²	129	98.8 Å²	98.8	60%	0.603	51%	0.505	S	S	*	.	H	α-helix	trans	-64.2	-46.1	172.3	-73	177.7	-16.7	0	0	112.3	K189 A190 K191 Q195 S196 I197	K189-Q193 WeakPolarHBondContact O-CG 3.31Å; K189-Q193 PolarHBondContact O-N 3.39Å; K189-Q193 VanDerWaalsContact O-N 3.11Å; A190-Q193 PolarHBondContact O-N 3.4Å; K191-Q193 VanDerWaalsContact C-N 3.34Å; Q193-Q195 VanDerWaalsContact C-N 3.29Å; Q193-Q195 PolarHBondContact O-N 3.09Å; Q193-S196 WeakPolarHBondContact O-CB 3.5Å; Q193-S196 PolarHBondContact O-N 2.95Å; Q193-I197 WeakPolarHBondContact O-CG1 3.3Å; Q193-I197 PolarHBondContact O-N 3.28Å
194	C	92.5	Very high	93.7	Very high	75 Å²	75	97.8 Å²	97.8	51%	0.507	51%	0.505	S	S	.	.	H	α-helix	trans	-60.4	-39.4	176.1	-70.9	0	0	0	0	112.1	A190 K191 I197 L198	A190-C194 PolarHBondContact O-N 3.34Å; A190-C194 PolarHBondContact O-SG 3.13Å; K191-C194 PolarHBondContact O-N 2.94Å; C194-I197 PolarHBondContact O-N 2.5Å; C194-L198 WeakPolarHBondContact O-CG 3.43Å; C194-L198 PolarHBondContact O-N 3.44Å
195	Q	93.2	Very high	93.7	Very high	103 Å²	103	96.8 Å²	96.8	48%	0.481	50%	0.502	S	S	.	.	H	α-helix	trans	-64.1	-44.9	176.6	-170.6	61.8	45.6	0	0	111.5	K191 T192 Q193 I197 L198 D199	K191-Q195 PolarHBondContact O-N 3.49Å; T192-Q195 PolarHBondContact O-N 3.2Å; Q193-Q195 VanDerWaalsContact C-N 3.29Å; Q193-Q195 PolarHBondContact O-N 3.09Å; Q195-I197 VanDerWaalsContact C-N 3.29Å; Q195-I197 PolarHBondContact O-N 3.49Å; Q195-L198 WeakPolarHBondContact O-CB 3.47Å; Q195-L198 PolarHBondContact O-N 3.2Å; Q195-L198 VanDerWaalsContact O-N 3.14Å; Q195-D199 PolarHBondContact NE2-OD1 3.45Å; Q195-D199 PolarHBondContact O-N 3.33Å
196	S	94.3	Very high	93.7	Very high	60 Å²	60	99 Å²	99	42%	0.42	51%	0.507	S	S	.	.	H	α-helix	trans	-57.4	-42.5	175.6	-169.8	0	0	0	0	112.2	T192 Q193 D199 E200	T192-S196 PolarHBondContact O-N 3.15Å; Q193-S196 WeakPolarHBondContact O-CB 3.5Å; Q193-S196 PolarHBondContact O-N 2.95Å; S196-D199 PolarHBondContact O-N 3.02Å; S196-E200 WeakPolarHBondContact O-CG 3.39Å; S196-E200 PolarHBondContact O-N 3.45Å
197	I	94.3	Very high	93.7	Very high	90 Å²	90	98.6 Å²	98.6	46%	0.462	51%	0.505	S	S	.	.	H	α-helix	trans	-67.3	-38.3	178.4	-66.5	166.5	0	0	0	111	Q193 C194 Q195 E200 I201	Q193-I197 WeakPolarHBondContact O-CG1 3.3Å; Q193-I197 PolarHBondContact O-N 3.28Å; C194-I197 PolarHBondContact O-N 2.5Å; Q195-I197 VanDerWaalsContact C-N 3.29Å; Q195-I197 PolarHBondContact O-N 3.49Å; I197-E200 PolarHBondContact O-N 3.29Å; I197-I201 HydrophobicContact CG2-CD1 3.88Å; I197-I201 HydrophobicContact CG2-CG1 4.44Å; I197-I201 VanDerWaalsContact O-CG1 3.26Å; I197-I201 WeakPolarHBondContact O-CG1 3.5Å; I197-I201 PolarHBondContact O-N 2.96Å
198	L	94.5	Very high	93.8	Very high	101 Å²	101	96.9 Å²	96.9	53%	0.529	50%	0.497	S	S	.	.	H	α-helix	trans	-63.4	-43.5	176	-75.8	168.1	0	0	0	111.5	C194 Q195 E200 I201 E202	C194-L198 WeakPolarHBondContact O-CG 3.43Å; C194-L198 PolarHBondContact O-N 3.44Å; Q195-L198 WeakPolarHBondContact O-CB 3.47Å; Q195-L198 PolarHBondContact O-N 3.2Å; Q195-L198 VanDerWaalsContact O-N 3.14Å; L198-E200 VanDerWaalsContact C-N 3.33Å; L198-E200 PolarHBondContact O-N 2.77Å; L198-I201 PolarHBondContact O-N 3.4Å; L198-E202 PolarHBondContact O-N 3.34Å
199	D	94.1	Very high	93.7	Very high	81 Å²	81	96.9 Å²	96.9	43%	0.433	50%	0.5	S	S	.	.	H	α-helix	trans	-62.9	-41	177.7	-57.9	-16	0	0	0	110.7	Q195 S196 E202 E203	Q195-D199 PolarHBondContact NE2-OD1 3.45Å; Q195-D199 PolarHBondContact O-N 3.33Å; S196-D199 PolarHBondContact O-N 3.02Å; D199-E202 PolarHBondContact O-N 3.03Å; D199-E203 PolarHBondContact O-N 2.8Å
200	E	94.9	Very high	93.6	Very high	110 Å²	110	96.8 Å²	96.8	51%	0.514	50%	0.501	S	S	.	.	H	α-helix	trans	-64.1	-37.6	174.2	-74.3	173.2	-162.7	0	0	113	S196 I197 L198 C204	S196-E200 WeakPolarHBondContact O-CG 3.39Å; S196-E200 PolarHBondContact O-N 3.45Å; I197-E200 PolarHBondContact O-N 3.29Å; L198-E200 VanDerWaalsContact C-N 3.33Å; L198-E200 PolarHBondContact O-N 2.77Å; E200-C204 PolarHBondContact O-N 3.1Å; E200-C204 PolarHBondContact O-SG 3.04Å
201	I	94.1	Very high	93.6	Very high	83 Å²	83	97.9 Å²	97.9	43%	0.426	51%	0.506	S	S	.	.	H	α-helix	trans	-67.6	-44	176.1	-71.4	167.1	0	0	0	110.3	I197 L198 E203 C204 E205	I197-I201 HydrophobicContact CG2-CD1 3.88Å; I197-I201 HydrophobicContact CG2-CG1 4.44Å; I197-I201 VanDerWaalsContact O-CG1 3.26Å; I197-I201 WeakPolarHBondContact O-CG1 3.5Å; I197-I201 PolarHBondContact O-N 2.96Å; L198-I201 PolarHBondContact O-N 3.4Å; I201-E203 VanDerWaalsContact C-N 3.3Å; I201-E203 PolarHBondContact O-N 3.28Å; I201-C204 WeakPolarHBondContact O-CB 3.33Å; I201-C204 PolarHBondContact O-N 3.45Å; I201-C204 VanDerWaalsContact O-N 3.13Å; I201-E205 HydrophobicContact CG2-CG 4.36Å; I201-E205 WeakPolarHBondContact O-CG 3.48Å; I201-E205 PolarHBondContact O-N 3.44Å
202	E	94.2	Very high	93.5	Very high	113 Å²	113	96.8 Å²	96.8	53%	0.528	50%	0.502	S	S	.	.	H	α-helix	trans	-60.8	-40.8	177.9	-171	175.6	-178.2	0	0	111.2	L198 D199 E205 Q206	L198-E202 PolarHBondContact O-N 3.34Å; D199-E202 PolarHBondContact O-N 3.03Å; E202-E205 PolarHBondContact O-N 2.82Å; E202-Q206 WeakPolarHBondContact O-CG 3.02Å; E202-Q206 PolarHBondContact O-N 2.85Å; E202-Q206 VanDerWaalsContact O-N 3.09Å
203	E	94.4	Very high	93.4	Very high	124 Å²	124	97.7 Å²	97.7	58%	0.579	50%	0.5	S	S	*	.	H	α-helix	trans	-62	-43.2	173.2	-171.9	179.2	179.7	0	0	111.7	D199 I201 E205 Q206 L207	D199-E203 PolarHBondContact O-N 2.8Å; I201-E203 VanDerWaalsContact C-N 3.3Å; I201-E203 PolarHBondContact O-N 3.28Å; E203-E205 PolarHBondContact O-N 2.99Å; E203-Q206 PolarHBondContact O-N 3.09Å; E203-L207 WeakPolarHBondContact O-CG 3.44Å; E203-L207 PolarHBondContact O-N 3.27Å; E203-L207 VanDerWaalsContact O-N 3.13Å
204	C	92.6	Very high	93.2	Very high	70 Å²	70	96.1 Å²	96.1	47%	0.473	50%	0.496	S	S	.	.	H	α-helix	trans	-63.7	-40.2	176.1	-71.1	0	0	0	0	112.6	E200 I201 L207 I208	E200-C204 PolarHBondContact O-N 3.1Å; E200-C204 PolarHBondContact O-SG 3.04Å; I201-C204 WeakPolarHBondContact O-CB 3.33Å; I201-C204 PolarHBondContact O-N 3.45Å; I201-C204 VanDerWaalsContact O-N 3.13Å; C204-L207 PolarHBondContact O-N 3.21Å; C204-I208 WeakPolarHBondContact O-CB 3.49Å; C204-I208 VanDerWaalsContact O-CG1 3.23Å; C204-I208 WeakPolarHBondContact O-CG1 3.24Å; C204-I208 PolarHBondContact O-N 2.91Å
205	E	92.9	Very high	93.2	Very high	119 Å²	119	95.9 Å²	95.9	56%	0.556	49%	0.492	S	S	*	.	H	α-helix	trans	-63.4	-42.1	177.8	-74.7	-175.3	163.6	0	0	111.5	I201 E202 E203 I208 D209	I201-E205 HydrophobicContact CG2-CG 4.36Å; I201-E205 WeakPolarHBondContact O-CG 3.48Å; I201-E205 PolarHBondContact O-N 3.44Å; E202-E205 PolarHBondContact O-N 2.82Å; E203-E205 PolarHBondContact O-N 2.99Å; E205-I208 PolarHBondContact O-N 3.38Å; E205-D209 PolarHBondContact O-N 2.67Å
206	Q	93.8	Very high	93	Very high	110 Å²	110	96.4 Å²	96.4	51%	0.514	49%	0.492	S	S	.	.	H	α-helix	trans	-61.2	-47.4	175.9	-70.1	174.2	20.5	0	0	111.8	E202 E203 I208 D209 E210	E202-Q206 WeakPolarHBondContact O-CG 3.02Å; E202-Q206 PolarHBondContact O-N 2.85Å; E202-Q206 VanDerWaalsContact O-N 3.09Å; E203-Q206 PolarHBondContact O-N 3.09Å; Q206-I208 VanDerWaalsContact C-N 3.3Å; Q206-I208 PolarHBondContact O-N 2.67Å; Q206-D209 PolarHBondContact O-N 2.85Å; Q206-D209 VanDerWaalsContact O-N 3.17Å; Q206-E210 WeakPolarHBondContact O-CG 3.5Å; Q206-E210 PolarHBondContact O-N 2.97Å
207	L	94.4	Very high	92.8	Very high	95 Å²	95	98.7 Å²	98.7	50%	0.497	50%	0.496	S	S	.	.	H	α-helix	trans	-62	-37.5	177	-69.9	173.4	0	0	0	112.7	E203 C204 S211	E203-L207 WeakPolarHBondContact O-CG 3.44Å; E203-L207 PolarHBondContact O-N 3.27Å; E203-L207 VanDerWaalsContact O-N 3.13Å; C204-L207 PolarHBondContact O-N 3.21Å; L207-S211 WeakPolarHBondContact O-CB 3.33Å; L207-S211 PolarHBondContact O-N 3.26Å
208	I	93.4	Very high	92.4	Very high	92 Å²	92	99.2 Å²	99.2	47%	0.472	50%	0.5	S	S	.	.	H	α-helix	trans	-65.6	-41.3	176.2	-74.1	168.1	0	0	0	110.5	C204 E205 Q206 S211 K212	C204-I208 WeakPolarHBondContact O-CB 3.49Å; C204-I208 VanDerWaalsContact O-CG1 3.23Å; C204-I208 WeakPolarHBondContact O-CG1 3.24Å; C204-I208 PolarHBondContact O-N 2.91Å; E205-I208 PolarHBondContact O-N 3.38Å; Q206-I208 VanDerWaalsContact C-N 3.3Å; Q206-I208 PolarHBondContact O-N 2.67Å; I208-S211 PolarHBondContact O-N 3.24Å; I208-K212 HydrophobicContact CG2-CD 4.3Å; I208-K212 VanDerWaalsContact CG2-CE 3.44Å; I208-K212 HydrophobicContact CG2-CG 4.47Å; I208-K212 VanDerWaalsContact O-CG 3.31Å; I208-K212 WeakPolarHBondContact O-CG 3.27Å; I208-K212 PolarHBondContact O-N 2.88Å
209	D	92.5	Very high	92.1	Very high	91 Å²	91	99.6 Å²	99.6	49%	0.487	50%	0.499	S	S	.	.	H	α-helix	trans	-70.7	-37.9	-179.7	-78.1	-12.3	0	0	0	112.7	E205 Q206 K212 E213	E205-D209 PolarHBondContact O-N 2.67Å; Q206-D209 PolarHBondContact O-N 2.85Å; Q206-D209 VanDerWaalsContact O-N 3.17Å; D209-K212 PolarHBondContact O-N 3.45Å; D209-K212 IonicContact OD1-NZ 3.34Å; D209-K212 PolarHBondContact OD1-NZ 3.25Å; D209-E213 PolarHBondContact O-N 3.19Å
210	E	92.2	Very high	91.8	Very high	123 Å²	123	99.3 Å²	99.3	58%	0.575	50%	0.5	S	S	*	.	H	α-helix	trans	-57	-49.9	168.5	-71.8	-179.7	176.3	0	0	110.9	Q206 K212 E213 D214	Q206-E210 WeakPolarHBondContact O-CG 3.5Å; Q206-E210 PolarHBondContact O-N 2.97Å; E210-K212 VanDerWaalsContact C-N 3.32Å; E210-K212 PolarHBondContact O-N 3.48Å; E210-E213 PolarHBondContact O-N 2.97Å; E210-D214 PolarHBondContact O-N 3Å
211	S	91.5	Very high	91.5	Very high	68 Å²	68	99 Å²	99	48%	0.476	50%	0.5	S	S	.	.	H	α-helix	trans	-64.7	-35	179.8	-162.3	0	0	0	0	112.9	L207 I208 E213 V215	L207-S211 WeakPolarHBondContact O-CB 3.33Å; L207-S211 PolarHBondContact O-N 3.26Å; I208-S211 PolarHBondContact O-N 3.24Å; S211-E213 VanDerWaalsContact C-N 3.32Å; S211-V215 VanDerWaalsContact O-CG2 3.28Å; S211-V215 WeakPolarHBondContact O-CG2 3.35Å; S211-V215 PolarHBondContact O-N 3.29Å; S211-V215 VanDerWaalsContact O-N 3.12Å
212	K	92.1	Very high	91.1	Very high	108 Å²	108	102 Å²	102	47%	0.47	51%	0.51	S	S	.	.	H	α-helix	trans	-63.3	-38.9	172.7	-77.3	174.6	-163.6	149.7	0	111.5	I208 D209 E210 V215 K216	I208-K212 HydrophobicContact CG2-CD 4.3Å; I208-K212 VanDerWaalsContact CG2-CE 3.44Å; I208-K212 HydrophobicContact CG2-CG 4.47Å; I208-K212 VanDerWaalsContact O-CG 3.31Å; I208-K212 WeakPolarHBondContact O-CG 3.27Å; I208-K212 PolarHBondContact O-N 2.88Å; D209-K212 PolarHBondContact O-N 3.45Å; D209-K212 IonicContact OD1-NZ 3.34Å; D209-K212 PolarHBondContact OD1-NZ 3.25Å; E210-K212 VanDerWaalsContact C-N 3.32Å; E210-K212 PolarHBondContact O-N 3.48Å; K212-V215 PolarHBondContact O-N 3.17Å; K212-K216 WeakPolarHBondContact O-CG 3.48Å; K212-K216 PolarHBondContact O-N 2.94Å; K212-K216 VanDerWaalsContact O-N 3.11Å
213	E	91.6	Very high	90.7	Very high	107 Å²	107	103.3 Å²	103.3	50%	0.5	51%	0.514	S	S	.	.	H	α-helix	trans	-69.8	-43.7	-179.9	-161.1	59	-158.4	0	0	111.4	D209 E210 S211 V215 K216 E217	D209-E213 PolarHBondContact O-N 3.19Å; E210-E213 PolarHBondContact O-N 2.97Å; S211-E213 VanDerWaalsContact C-N 3.32Å; E213-V215 VanDerWaalsContact C-N 3.27Å; E213-V215 PolarHBondContact O-N 3.48Å; E213-K216 WeakPolarHBondContact O-CB 3.13Å; E213-K216 PolarHBondContact O-N 3.18Å; E213-K216 VanDerWaalsContact O-N 3.07Å; E213-K216 IonicContact OE2-NZ 2.8Å; E213-K216 PolarHBondContact OE2-NZ 3.47Å; E213-E217 PolarHBondContact O-N 3.04Å
214	D	90.4	Very high	90.3	Very high	96 Å²	96	100.9 Å²	100.9	51%	0.513	51%	0.507	S	S	.	.	H	α-helix	trans	-55.5	-42.2	173.3	-71.5	-18.2	0	0	0	112.1	E210 E217 L218	E210-D214 PolarHBondContact O-N 3Å; D214-E217 PolarHBondContact O-N 3.3Å; D214-L218 PolarHBondContact O-N 2.85Å
215	V	90.8	Very high	89.8	Confident	70 Å²	70	103.9 Å²	103.9	42%	0.424	51%	0.514	S	S	.	.	H	α-helix	trans	-66.4	-40.7	177.6	170.4	0	0	0	0	111.6	S211 K212 E213 E217 L218 Q219	S211-V215 VanDerWaalsContact O-CG2 3.28Å; S211-V215 WeakPolarHBondContact O-CG2 3.35Å; S211-V215 PolarHBondContact O-N 3.29Å; S211-V215 VanDerWaalsContact O-N 3.12Å; K212-V215 PolarHBondContact O-N 3.17Å; E213-V215 VanDerWaalsContact C-N 3.27Å; E213-V215 PolarHBondContact O-N 3.48Å; V215-E217 VanDerWaalsContact C-N 3.34Å; V215-L218 PolarHBondContact O-N 2.9Å; V215-Q219 VanDerWaalsContact O-CG 3.31Å; V215-Q219 WeakPolarHBondContact O-CG 3.47Å; V215-Q219 PolarHBondContact O-N 3.34Å
216	K	90.1	Very high	89.2	Confident	113 Å²	113	101.1 Å²	101.1	49%	0.491	51%	0.508	S	S	.	.	H	α-helix	trans	-62.6	-43.6	175.5	-72.5	-179.2	-149.4	149.5	0	110.7	K212 E213 Q219 T220	K212-K216 WeakPolarHBondContact O-CG 3.48Å; K212-K216 PolarHBondContact O-N 2.94Å; K212-K216 VanDerWaalsContact O-N 3.11Å; E213-K216 WeakPolarHBondContact O-CB 3.13Å; E213-K216 PolarHBondContact O-N 3.18Å; E213-K216 VanDerWaalsContact O-N 3.07Å; E213-K216 IonicContact OE2-NZ 2.8Å; E213-K216 PolarHBondContact OE2-NZ 3.47Å; K216-Q219 PolarHBondContact O-N 3.3Å; K216-T220 WeakPolarHBondContact O-CG2 3.34Å; K216-T220 PolarHBondContact O-N 3.09Å; K216-T220 PolarHBondContact O-OG1 3.5Å
217	E	90.3	Very high	88.6	Confident	108 Å²	108	100 Å²	100	51%	0.505	51%	0.505	S	S	.	.	H	α-helix	trans	-60.5	-48.6	178.3	-167	172	-175.2	0	0	110.7	E213 D214 V215 Q219 T220 M221	E213-E217 PolarHBondContact O-N 3.04Å; D214-E217 PolarHBondContact O-N 3.3Å; V215-E217 VanDerWaalsContact C-N 3.34Å; E217-Q219 VanDerWaalsContact C-N 3.31Å; E217-Q219 PolarHBondContact O-N 3.47Å; E217-T220 PolarHBondContact O-N 2.96Å; E217-T220 VanDerWaalsContact O-N 3.1Å; E217-T220 PolarHBondContact O-OG1 3.31Å; E217-M221 HydrophobicContact CG-CE 4.19Å; E217-M221 WeakPolarHBondContact O-CG 3.34Å; E217-M221 PolarHBondContact O-N 2.68Å
218	L	86.3	Confident	87.9	Confident	101 Å²	101	102.1 Å²	102.1	53%	0.529	51%	0.51	S	S	.	.	H	α-helix	trans	-57.5	-40.1	174.6	-81.2	163.6	0	0	0	113.4	D214 V215 M221 K222	D214-L218 PolarHBondContact O-N 2.85Å; V215-L218 PolarHBondContact O-N 2.9Å; L218-M221 PolarHBondContact O-N 2.76Å; L218-K222 WeakPolarHBondContact O-CB 3.36Å; L218-K222 WeakPolarHBondContact O-CG 3.4Å; L218-K222 PolarHBondContact O-N 3.08Å
219	Q	88	Confident	87.1	Confident	109 Å²	109	104.5 Å²	104.5	51%	0.509	52%	0.517	S	S	.	.	H	α-helix	trans	-65.7	-39.9	176.6	-75.7	-179.9	5.4	0	0	112.1	V215 K216 E217 K223	V215-Q219 VanDerWaalsContact O-CG 3.31Å; V215-Q219 WeakPolarHBondContact O-CG 3.47Å; V215-Q219 PolarHBondContact O-N 3.34Å; K216-Q219 PolarHBondContact O-N 3.3Å; E217-Q219 VanDerWaalsContact C-N 3.31Å; E217-Q219 PolarHBondContact O-N 3.47Å; Q219-K223 WeakPolarHBondContact O-CG 3.42Å; Q219-K223 PolarHBondContact O-N 3.35Å; Q219-K223 VanDerWaalsContact O-N 3.11Å
220	T	87.9	Confident	86.3	Confident	76 Å²	76	105.7 Å²	105.7	47%	0.466	52%	0.519	S	S	.	.	H	α-helix	trans	-67.6	-42.4	176.2	61.4	0	0	0	0	111.6	K216 E217 K222 K223 V224	K216-T220 WeakPolarHBondContact O-CG2 3.34Å; K216-T220 PolarHBondContact O-N 3.09Å; K216-T220 PolarHBondContact O-OG1 3.5Å; E217-T220 PolarHBondContact O-N 2.96Å; E217-T220 VanDerWaalsContact O-N 3.1Å; E217-T220 PolarHBondContact O-OG1 3.31Å; T220-K222 PolarHBondContact O-N 2.96Å; T220-K223 PolarHBondContact O-N 3.41Å; T220-V224 WeakPolarHBondContact O-CG2 3.31Å; T220-V224 PolarHBondContact O-N 2.91Å
221	M	87.3	Confident	85.6	Confident	102 Å²	102	106.6 Å²	106.6	50%	0.502	52%	0.521	S	S	.	.	H	α-helix	trans	-59.2	-47	174.3	-72.4	-169.7	174.5	0	0	112	E217 L218 K223 V224 E225	E217-M221 HydrophobicContact CG-CE 4.19Å; E217-M221 WeakPolarHBondContact O-CG 3.34Å; E217-M221 PolarHBondContact O-N 2.68Å; L218-M221 PolarHBondContact O-N 2.76Å; M221-K223 VanDerWaalsContact C-N 3.34Å; M221-K223 PolarHBondContact O-N 3.5Å; M221-V224 PolarHBondContact O-N 3.43Å; M221-V224 VanDerWaalsContact O-N 3.17Å; M221-E225 PolarHBondContact O-N 2.92Å
222	K	85.4	Confident	85	Confident	148 Å²	148	106 Å²	106	64%	0.643	52%	0.521	S	S	*	.	H	α-helix	trans	-59.1	-42.1	176.3	-79.9	-178	178.3	179	0	112.9	L218 T220 E225 S226	L218-K222 WeakPolarHBondContact O-CB 3.36Å; L218-K222 WeakPolarHBondContact O-CG 3.4Å; L218-K222 PolarHBondContact O-N 3.08Å; T220-K222 PolarHBondContact O-N 2.96Å; K222-E225 PolarHBondContact O-N 3.34Å; K222-S226 WeakPolarHBondContact O-CB 3.34Å; K222-S226 PolarHBondContact O-N 2.99Å
223	K	86	Confident	84.3	Confident	140 Å²	140	105.2 Å²	105.2	61%	0.609	52%	0.522	S	S	*	.	H	α-helix	trans	-62.5	-44.3	176	-74.2	174.8	-178.4	176.3	0	111.1	Q219 T220 M221 S226 I227	Q219-K223 WeakPolarHBondContact O-CG 3.42Å; Q219-K223 PolarHBondContact O-N 3.35Å; Q219-K223 VanDerWaalsContact O-N 3.11Å; T220-K223 PolarHBondContact O-N 3.41Å; M221-K223 VanDerWaalsContact C-N 3.34Å; M221-K223 PolarHBondContact O-N 3.5Å; K223-S226 PolarHBondContact O-N 3.32Å; K223-I227 WeakPolarHBondContact O-CD1 3.37Å; K223-I227 VanDerWaalsContact O-CG1 3.24Å; K223-I227 WeakPolarHBondContact O-CG1 3.35Å; K223-I227 PolarHBondContact O-N 2.96Å
224	V	86.3	Confident	83.6	Confident	73 Å²	73	104.9 Å²	104.9	44%	0.442	53%	0.527	S	S	.	.	H	α-helix	trans	-63.8	-41.6	177.8	172.2	0	0	0	0	111.5	T220 M221 I227 K228	T220-V224 WeakPolarHBondContact O-CG2 3.31Å; T220-V224 PolarHBondContact O-N 2.91Å; M221-V224 PolarHBondContact O-N 3.43Å; M221-V224 VanDerWaalsContact O-N 3.17Å; V224-I227 PolarHBondContact O-N 2.65Å; V224-K228 HydrophobicContact CG1-CD 4.22Å; V224-K228 VanDerWaalsContact O-CG 3.31Å; V224-K228 WeakPolarHBondContact O-CG 3.47Å; V224-K228 PolarHBondContact O-N 3.15Å
225	E	81.7	Confident	83	Confident	133 Å²	133	103.9 Å²	103.9	62%	0.621	52%	0.524	S	S	*	.	H	α-helix	trans	-65.5	-42.5	176.2	-76.1	-170.5	157.5	0	0	112.9	M221 K222 I227 K228 K229	M221-E225 PolarHBondContact O-N 2.92Å; K222-E225 PolarHBondContact O-N 3.34Å; E225-I227 VanDerWaalsContact C-N 3.34Å; E225-I227 PolarHBondContact O-N 3.47Å; E225-K228 PolarHBondContact O-N 2.92Å; E225-K229 WeakPolarHBondContact O-CB 3.09Å; E225-K229 PolarHBondContact O-N 3.34Å
226	S	80.4	Confident	82.3	Confident	61 Å²	61	102.8 Å²	102.8	43%	0.427	52%	0.523	S	S	.	.	H	α-helix	trans	-59.1	-46.8	175.6	-165.5	0	0	0	0	111.1	K222 K223 K228 K229 E230	K222-S226 WeakPolarHBondContact O-CB 3.34Å; K222-S226 PolarHBondContact O-N 2.99Å; K223-S226 PolarHBondContact O-N 3.32Å; S226-K228 VanDerWaalsContact C-N 3.32Å; S226-K228 PolarHBondContact O-N 2.94Å; S226-K229 PolarHBondContact O-N 2.92Å; S226-E230 WeakPolarHBondContact O-CG 3.28Å; S226-E230 PolarHBondContact O-N 2.77Å
227	I	81.6	Confident	81.6	Confident	87 Å²	87	101.4 Å²	101.4	45%	0.446	53%	0.526	S	S	.	.	H	α-helix	trans	-62.5	-40.1	177.5	-66.6	164.3	0	0	0	110.9	K223 V224 E225 K231	K223-I227 WeakPolarHBondContact O-CD1 3.37Å; K223-I227 VanDerWaalsContact O-CG1 3.24Å; K223-I227 WeakPolarHBondContact O-CG1 3.35Å; K223-I227 PolarHBondContact O-N 2.96Å; V224-I227 PolarHBondContact O-N 2.65Å; E225-I227 VanDerWaalsContact C-N 3.34Å; E225-I227 PolarHBondContact O-N 3.47Å; I227-K231 HydrophobicContact CG2-CD 4.22Å; I227-K231 WeakPolarHBondContact O-CB 3.43Å; I227-K231 VanDerWaalsContact O-CG 3.27Å; I227-K231 WeakPolarHBondContact O-CG 3.42Å; I227-K231 PolarHBondContact O-N 3.12Å
228	K	80.7	Confident	80.8	Confident	138 Å²	138	101.6 Å²	101.6	60%	0.6	53%	0.527	S	S	*	.	H	α-helix	trans	-64.2	-41.1	176.1	-77.1	175.1	-180	177.6	0	111.8	V224 E225 S226 K231 A232	V224-K228 HydrophobicContact CG1-CD 4.22Å; V224-K228 VanDerWaalsContact O-CG 3.31Å; V224-K228 WeakPolarHBondContact O-CG 3.47Å; V224-K228 PolarHBondContact O-N 3.15Å; E225-K228 PolarHBondContact O-N 2.92Å; S226-K228 VanDerWaalsContact C-N 3.32Å; S226-K228 PolarHBondContact O-N 2.94Å; K228-K231 PolarHBondContact O-N 3.09Å; K228-A232 WeakPolarHBondContact O-CB 3.05Å; K228-A232 PolarHBondContact O-N 2.8Å
229	K	76.2	Confident	80.4	Confident	143 Å²	143	103 Å²	103	62%	0.622	53%	0.529	S	S	*	.	H	α-helix	trans	-68.2	-46.4	179.7	-166	177.5	180	-177.2	0	111.6	E225 S226 K231 A232 D233	E225-K229 WeakPolarHBondContact O-CB 3.09Å; E225-K229 PolarHBondContact O-N 3.34Å; S226-K229 PolarHBondContact O-N 2.92Å; K229-K231 VanDerWaalsContact C-N 3.33Å; K229-K231 PolarHBondContact O-N 2.96Å; K229-A232 WeakPolarHBondContact O-CB 3.32Å; K229-A232 PolarHBondContact O-N 2.87Å; K229-A232 VanDerWaalsContact O-N 3.11Å; K229-D233 PolarHBondContact O-N 2.77Å
230	E	76.2	Confident	79.8	Confident	115 Å²	115	102.2 Å²	102.2	54%	0.537	53%	0.527	S	S	.	.	H	α-helix	trans	-57.8	-44.8	173.6	-75.8	172.9	-173.3	0	0	111.6	S226 A232 D233 V234	S226-E230 WeakPolarHBondContact O-CG 3.28Å; S226-E230 PolarHBondContact O-N 2.77Å; E230-A232 VanDerWaalsContact C-N 3.33Å; E230-A232 PolarHBondContact O-N 3.31Å; E230-D233 PolarHBondContact O-N 3.01Å; E230-V234 VanDerWaalsContact O-CG2 3.29Å; E230-V234 WeakPolarHBondContact O-CG2 3.47Å; E230-V234 PolarHBondContact O-N 3.46Å
231	K	76.9	Confident	79.3	Confident	142 Å²	142	104.2 Å²	104.2	62%	0.617	53%	0.531	S	S	*	.	H	α-helix	trans	-61.3	-39.6	175.2	-76.8	-179.3	178.5	-173.6	0	112.6	I227 K228 K229 T235	I227-K231 HydrophobicContact CG2-CD 4.22Å; I227-K231 WeakPolarHBondContact O-CB 3.43Å; I227-K231 VanDerWaalsContact O-CG 3.27Å; I227-K231 WeakPolarHBondContact O-CG 3.42Å; I227-K231 PolarHBondContact O-N 3.12Å; K228-K231 PolarHBondContact O-N 3.09Å; K229-K231 VanDerWaalsContact C-N 3.33Å; K229-K231 PolarHBondContact O-N 2.96Å; K231-T235 WeakPolarHBondContact O-CB 3.34Å; K231-T235 PolarHBondContact O-N 3.08Å; K231-T235 PolarHBondContact O-OG1 2.84Å
232	A	78.7	Confident	78.6	Confident	56 Å²	56	104.2 Å²	104.2	46%	0.463	53%	0.53	S	S	.	.	H	α-helix	trans	-67	-43.5	177.7	0	0	0	0	0	111.7	K228 K229 E230 T235 A236	K228-A232 WeakPolarHBondContact O-CB 3.05Å; K228-A232 PolarHBondContact O-N 2.8Å; K229-A232 WeakPolarHBondContact O-CB 3.32Å; K229-A232 PolarHBondContact O-N 2.87Å; K229-A232 VanDerWaalsContact O-N 3.11Å; E230-A232 VanDerWaalsContact C-N 3.33Å; E230-A232 PolarHBondContact O-N 3.31Å; A232-T235 PolarHBondContact O-N 3.47Å; A232-A236 PolarHBondContact O-N 2.8Å
233	D	77.1	Confident	78	Confident	92 Å²	92	103.9 Å²	103.9	49%	0.492	53%	0.531	S	S	.	.	H	α-helix	trans	-65.2	-43.3	179	-69.6	-19	0	0	0	111.3	K229 E230 T235 A236 C237	K229-D233 PolarHBondContact O-N 2.77Å; E230-D233 PolarHBondContact O-N 3.01Å; D233-T235 VanDerWaalsContact C-N 3.33Å; D233-T235 PolarHBondContact O-N 2.84Å; D233-A236 PolarHBondContact O-N 3.16Å; D233-C237 WeakPolarHBondContact O-CB 3.47Å; D233-C237 PolarHBondContact O-N 2.99Å; D233-C237 PolarHBondContact O-SG 2.94Å
234	V	77.8	Confident	77.3	Confident	100 Å²	100	105.5 Å²	105.5	61%	0.606	53%	0.533	S	S	*	.	H	α-helix	trans	-60	-44.1	173.5	170.9	0	0	0	0	111	E230 A236 C237 H238	E230-V234 VanDerWaalsContact O-CG2 3.29Å; E230-V234 WeakPolarHBondContact O-CG2 3.47Å; E230-V234 PolarHBondContact O-N 3.46Å; V234-A236 VanDerWaalsContact C-N 3.34Å; V234-A236 PolarHBondContact O-N 2.61Å; V234-C237 PolarHBondContact O-N 3.13Å; V234-H238 WeakPolarHBondContact O-CB 3.48Å; V234-H238 PolarHBondContact O-N 3.02Å
235	T	77.4	Confident	76.7	Confident	74 Å²	74	106.6 Å²	106.6	45%	0.454	53%	0.533	S	S	.	.	H	α-helix	trans	-64.2	-38.8	178.7	-54.1	0	0	0	0	111.7	K231 A232 D233 K239	K231-T235 WeakPolarHBondContact O-CB 3.34Å; K231-T235 PolarHBondContact O-N 3.08Å; K231-T235 PolarHBondContact O-OG1 2.84Å; A232-T235 PolarHBondContact O-N 3.47Å; D233-T235 VanDerWaalsContact C-N 3.33Å; D233-T235 PolarHBondContact O-N 2.84Å; T235-K239 WeakPolarHBondContact O-CG 3.1Å; T235-K239 PolarHBondContact O-N 3.11Å; T235-K239 VanDerWaalsContact O-N 3.16Å
236	A	76.7	Confident	76.5	Confident	48 Å²	48	104.9 Å²	104.9	40%	0.397	53%	0.527	S	S	.	.	H	α-helix	trans	-67.8	-46.3	177	0	0	0	0	0	111.8	A232 D233 V234 H238 K239 I240	A232-A236 PolarHBondContact O-N 2.8Å; D233-A236 PolarHBondContact O-N 3.16Å; V234-A236 VanDerWaalsContact C-N 3.34Å; V234-A236 PolarHBondContact O-N 2.61Å; A236-H238 VanDerWaalsContact C-N 3.32Å; A236-H238 PolarHBondContact O-N 2.96Å; A236-K239 PolarHBondContact O-N 3.27Å; A236-I240 WeakPolarHBondContact O-CG1 3.43Å; A236-I240 PolarHBondContact O-N 3.5Å; A236-I240 VanDerWaalsContact O-N 3.09Å
237	C	74.1	Confident	76.2	Confident	83 Å²	83	107.2 Å²	107.2	56%	0.561	54%	0.535	S	S	*	.	H	α-helix	trans	-59.2	-43	175.3	-75.3	0	0	0	0	111.9	D233 V234 K239 I240 Q241	D233-C237 WeakPolarHBondContact O-CB 3.47Å; D233-C237 PolarHBondContact O-N 2.99Å; D233-C237 PolarHBondContact O-SG 2.94Å; V234-C237 PolarHBondContact O-N 3.13Å; C237-K239 PolarHBondContact O-N 3.32Å; C237-I240 PolarHBondContact O-N 2.96Å; C237-Q241 WeakPolarHBondContact O-CB 3.44Å; C237-Q241 PolarHBondContact O-N 3.47Å
238	H	74.6	Confident	75.8	Confident	112 Å²	112	108.7 Å²	108.7	52%	0.519	54%	0.541	S	S	.	.	H	α-helix	trans	-62.3	-41.3	177.8	-167.1	-38.7	0	0	0	112.2	V234 A236 Q241 E242	V234-H238 WeakPolarHBondContact O-CB 3.48Å; V234-H238 PolarHBondContact O-N 3.02Å; A236-H238 VanDerWaalsContact C-N 3.32Å; A236-H238 PolarHBondContact O-N 2.96Å; H238-Q241 WeakPolarHBondContact O-CB 3.39Å; H238-Q241 PolarHBondContact O-N 2.92Å; H238-E242 IonicContact CE1-OE1 3.02Å; H238-E242 PolarHBondContact CE1-OE1 2.9Å; H238-E242 IonicContact ND1-OE1 2.61Å; H238-E242 PolarHBondContact O-N 3.43Å
239	K	77.1	Confident	75.2	Confident	132 Å²	132	107.7 Å²	107.7	57%	0.574	54%	0.537	S	S	*	.	H	α-helix	trans	-64.6	-41.5	176.5	-74.8	178.6	178.6	-178.1	0	112.5	T235 A236 C237 Q241 E242 E243	T235-K239 WeakPolarHBondContact O-CG 3.1Å; T235-K239 PolarHBondContact O-N 3.11Å; T235-K239 VanDerWaalsContact O-N 3.16Å; A236-K239 PolarHBondContact O-N 3.27Å; C237-K239 PolarHBondContact O-N 3.32Å; K239-Q241 VanDerWaalsContact C-N 3.3Å; K239-Q241 PolarHBondContact O-N 3.25Å; K239-E242 PolarHBondContact O-N 2.93Å; K239-E243 PolarHBondContact O-N 3.44Å
240	I	76.5	Confident	75	Confident	91 Å²	91	107.5 Å²	107.5	47%	0.467	54%	0.536	S	S	.	.	H	α-helix	trans	-64.6	-38.4	176.8	-65.6	166.1	0	0	0	110.7	A236 C237 R244	A236-I240 WeakPolarHBondContact O-CG1 3.43Å; A236-I240 PolarHBondContact O-N 3.5Å; A236-I240 VanDerWaalsContact O-N 3.09Å; C237-I240 PolarHBondContact O-N 2.96Å; I240-R244 WeakPolarHBondContact O-CB 3.37Å; I240-R244 WeakPolarHBondContact O-CG 3.45Å; I240-R244 PolarHBondContact O-N 3.11Å
241	Q	76.4	Confident	74.9	Confident	118 Å²	118	105.5 Å²	105.5	55%	0.551	53%	0.526	S	S	*	.	H	α-helix	trans	-61.5	-49.4	176.1	-169.3	92	2.6	0	0	111	C237 H238 K239 E243 R244 E245	C237-Q241 WeakPolarHBondContact O-CB 3.44Å; C237-Q241 PolarHBondContact O-N 3.47Å; H238-Q241 WeakPolarHBondContact O-CB 3.39Å; H238-Q241 PolarHBondContact O-N 2.92Å; K239-Q241 VanDerWaalsContact C-N 3.3Å; K239-Q241 PolarHBondContact O-N 3.25Å; Q241-E243 PolarHBondContact O-N 3.02Å; Q241-R244 PolarHBondContact O-N 2.86Å; Q241-E245 PolarHBondContact O-N 3.05Å
242	E	72.8	Confident	74.6	Confident	103 Å²	103	102.8 Å²	102.8	48%	0.481	52%	0.518	S	S	.	.	H	α-helix	trans	-60	-44.3	178	-76.7	-178	156.9	0	0	112.1	H238 K239 R244 E245 I246	H238-E242 IonicContact CE1-OE1 3.02Å; H238-E242 PolarHBondContact CE1-OE1 2.9Å; H238-E242 IonicContact ND1-OE1 2.61Å; H238-E242 PolarHBondContact O-N 3.43Å; K239-E242 PolarHBondContact O-N 2.93Å; E242-R244 VanDerWaalsContact C-N 3.34Å; E242-R244 PolarHBondContact O-N 3.35Å; E242-E245 PolarHBondContact O-N 2.72Å; E242-I246 WeakPolarHBondContact O-CD1 3.29Å; E242-I246 VanDerWaalsContact O-CG1 3.25Å; E242-I246 WeakPolarHBondContact O-CG1 3.44Å; E242-I246 PolarHBondContact O-N 2.96Å
243	E	73.3	Confident	74.1	Confident	141 Å²	141	104.4 Å²	104.4	66%	0.659	52%	0.518	S	S	*	.	H	α-helix	trans	-62.1	-40.9	176.7	-77.4	-173.1	164.7	0	0	112.3	K239 Q241 I246 L247	K239-E243 PolarHBondContact O-N 3.44Å; Q241-E243 PolarHBondContact O-N 3.02Å; E243-I246 PolarHBondContact O-N 2.88Å; E243-L247 WeakPolarHBondContact O-CB 3.4Å; E243-L247 PolarHBondContact O-N 3.07Å
244	R	71.4	Confident	73.7	Confident	174 Å²	174	105.7 Å²	105.7	66%	0.657	52%	0.517	S	S	*	.	H	α-helix	trans	-64.3	-42.1	176.3	-79.8	-177.6	172.7	-166.6	-0.9	112	I240 Q241 E242 L247 M248	I240-R244 WeakPolarHBondContact O-CB 3.37Å; I240-R244 WeakPolarHBondContact O-CG 3.45Å; I240-R244 PolarHBondContact O-N 3.11Å; Q241-R244 PolarHBondContact O-N 2.86Å; E242-R244 VanDerWaalsContact C-N 3.34Å; E242-R244 PolarHBondContact O-N 3.35Å; R244-L247 PolarHBondContact O-N 3.34Å; R244-M248 WeakPolarHBondContact O-CB 3.31Å; R244-M248 PolarHBondContact O-N 2.77Å
245	E	72.4	Confident	73.1	Confident	95 Å²	95	104.1 Å²	104.1	44%	0.444	51%	0.509	S	S	.	.	H	α-helix	trans	-64.7	-41.4	176.9	-74.6	-170.4	-177.8	0	0	112.1	Q241 E242 L247 M248 K249	Q241-E245 PolarHBondContact O-N 3.05Å; E242-E245 PolarHBondContact O-N 2.72Å; E245-L247 VanDerWaalsContact C-N 3.35Å; E245-M248 PolarHBondContact O-N 2.88Å; E245-K249 WeakPolarHBondContact O-CB 3.43Å; E245-K249 WeakPolarHBondContact O-CG 3.47Å; E245-K249 PolarHBondContact O-N 3.21Å
246	I	77.9	Confident	72.3	Confident	97 Å²	97	104.8 Å²	104.8	50%	0.497	51%	0.51	S	S	.	.	H	α-helix	trans	-63.3	-42.7	175.5	-67.3	163.8	0	0	0	110.6	E242 E243 K250	E242-I246 WeakPolarHBondContact O-CD1 3.29Å; E242-I246 VanDerWaalsContact O-CG1 3.25Å; E242-I246 WeakPolarHBondContact O-CG1 3.44Å; E242-I246 PolarHBondContact O-N 2.96Å; E243-I246 PolarHBondContact O-N 2.88Å; I246-K250 WeakPolarHBondContact O-CG 3.26Å; I246-K250 PolarHBondContact O-N 2.92Å
247	L	74.1	Confident	71.5	Confident	111 Å²	111	110.1 Å²	110.1	58%	0.581	52%	0.519	S	S	*	.	H	α-helix	trans	-65.4	-44.6	178	-174.3	66.5	0	0	0	111.6	E243 R244 E245 K249 K250 E251	E243-L247 WeakPolarHBondContact O-CB 3.4Å; E243-L247 PolarHBondContact O-N 3.07Å; R244-L247 PolarHBondContact O-N 3.34Å; E245-L247 VanDerWaalsContact C-N 3.35Å; L247-K249 PolarHBondContact O-N 3.18Å; L247-K250 WeakPolarHBondContact O-CB 3.39Å; L247-K250 PolarHBondContact O-N 3.26Å; L247-K250 VanDerWaalsContact O-N 3.13Å; L247-E251 PolarHBondContact O-N 3.39Å
248	M	73.3	Confident	71	Confident	118 Å²	118	110.2 Å²	110.2	58%	0.581	51%	0.514	S	S	*	.	H	α-helix	trans	-63.4	-42	178.8	-153.8	-160.6	-51.3	0	0	111.3	R244 E245 K250 E251 I252	R244-M248 WeakPolarHBondContact O-CB 3.31Å; R244-M248 PolarHBondContact O-N 2.77Å; E245-M248 PolarHBondContact O-N 2.88Å; M248-K250 VanDerWaalsContact C-N 3.31Å; M248-K250 PolarHBondContact O-N 3.21Å; M248-E251 PolarHBondContact O-N 3.31Å; M248-I252 HydrophobicContact CG-CD1 4.31Å; M248-I252 WeakPolarHBondContact O-CG1 3.43Å; M248-I252 PolarHBondContact O-N 3.06Å; M248-I252 HydrophobicContact SD-CD1 4.49Å
249	K	69.3	Low	70.2	Confident	117 Å²	117	109.5 Å²	109.5	51%	0.509	51%	0.514	S	S	.	.	H	α-helix	trans	-59.4	-40.2	172.5	-76.9	175.1	179.5	171.7	0	112	E245 L247 N253	E245-K249 WeakPolarHBondContact O-CB 3.43Å; E245-K249 WeakPolarHBondContact O-CG 3.47Å; E245-K249 PolarHBondContact O-N 3.21Å; L247-K249 PolarHBondContact O-N 3.18Å; K249-N253 WeakPolarHBondContact O-CB 3.39Å; K249-N253 VanDerWaalsContact O-CG 3.24Å; K249-N253 PolarHBondContact O-N 3.4Å; K249-N253 VanDerWaalsContact O-N 3.15Å; K249-N253 PolarHBondContact O-ND2 3.47Å
250	K	72.1	Confident	69.3	Low	138 Å²	138	110.8 Å²	110.8	60%	0.6	52%	0.519	S	S	*	.	H	α-helix	trans	-65.7	-39	175.3	-77.7	179	178	177	0	112.2	I246 L247 M248 N253 R254	I246-K250 WeakPolarHBondContact O-CG 3.26Å; I246-K250 PolarHBondContact O-N 2.92Å; L247-K250 WeakPolarHBondContact O-CB 3.39Å; L247-K250 PolarHBondContact O-N 3.26Å; L247-K250 VanDerWaalsContact O-N 3.13Å; M248-K250 VanDerWaalsContact C-N 3.31Å; M248-K250 PolarHBondContact O-N 3.21Å; K250-N253 PolarHBondContact O-N 3.49Å; K250-R254 PolarHBondContact O-N 2.87Å
251	E	73	Confident	68.3	Low	74 Å²	74	112.1 Å²	112.1	35%	0.346	53%	0.527	S	S	.	.	H	α-helix	trans	-70.6	-43.6	-178.6	-156.2	73.1	167.1	0	0	112.3	L247 M248 N253 R254 C255	L247-E251 PolarHBondContact O-N 3.39Å; M248-E251 PolarHBondContact O-N 3.31Å; E251-N253 VanDerWaalsContact C-N 3.29Å; E251-N253 PolarHBondContact O-N 3.2Å; E251-R254 WeakPolarHBondContact O-CA 3.42Å; E251-R254 WeakPolarHBondContact O-CB 3.47Å; E251-R254 PolarHBondContact O-N 3.3Å; E251-R254 IonicContact OE1-CZ 3.29Å; E251-R254 IonicContact OE1-NH1 2.96Å; E251-R254 PolarHBondContact OE1-NH1 2.8Å; E251-R254 IonicContact OE1-NH2 3.73Å; E251-R254 PolarHBondContact OE1-NH2 2.91Å; E251-R254 IonicContact OE2-CZ 2.99Å; E251-R254 VanDerWaalsContact OE2-CZ 3.29Å; E251-R254 IonicContact OE2-NH1 2.72Å; E251-R254 PolarHBondContact OE2-NH1 2.77Å; E251-R254 IonicContact OE2-NH2 3.66Å; E251-C255 PolarHBondContact O-N 3.43Å
252	I	70.1	Confident	67.2	Low	85 Å²	85	114.7 Å²	114.7	44%	0.436	54%	0.539	S	S	.	.	H	α-helix	trans	-58.3	-45.1	172.9	-68.4	165.5	0	0	0	110.2	M248 R254 C255 L256	M248-I252 HydrophobicContact CG-CD1 4.31Å; M248-I252 WeakPolarHBondContact O-CG1 3.43Å; M248-I252 PolarHBondContact O-N 3.06Å; M248-I252 HydrophobicContact SD-CD1 4.49Å; I252-R254 PolarHBondContact O-N 3.49Å; I252-C255 PolarHBondContact O-N 2.89Å; I252-L256 HydrophobicContact CG2-CD1 3.96Å; I252-L256 WeakPolarHBondContact O-CB 3.46Å; I252-L256 WeakPolarHBondContact O-CG 3.33Å; I252-L256 PolarHBondContact O-N 2.83Å
253	N	69.5	Low	66.1	Low	89 Å²	89	113.5 Å²	113.5	48%	0.476	54%	0.539	S	S	.	.	H	α-helix	trans	-66.5	-20.5	175.9	-75.1	-40.7	0	0	0	113.6	K249 K250 E251 R257	K249-N253 WeakPolarHBondContact O-CB 3.39Å; K249-N253 VanDerWaalsContact O-CG 3.24Å; K249-N253 PolarHBondContact O-N 3.4Å; K249-N253 VanDerWaalsContact O-N 3.15Å; K249-N253 PolarHBondContact O-ND2 3.47Å; K250-N253 PolarHBondContact O-N 3.49Å; E251-N253 VanDerWaalsContact C-N 3.29Å; E251-N253 PolarHBondContact O-N 3.2Å; N253-R257 PolarHBondContact O-NE 2.91Å
254	R	67.3	Low	64.8	Low	120 Å²	120	111.3 Å²	111.3	45%	0.453	54%	0.539	S	S	.	.	H	α-helix	trans	-78.4	-51.3	171.8	-166.2	178.5	77.9	-149.4	7.9	110.4	K250 E251 I252 L256 R257 D258	K250-R254 PolarHBondContact O-N 2.87Å; E251-R254 WeakPolarHBondContact O-CA 3.42Å; E251-R254 WeakPolarHBondContact O-CB 3.47Å; E251-R254 PolarHBondContact O-N 3.3Å; E251-R254 IonicContact OE1-CZ 3.29Å; E251-R254 IonicContact OE1-NH1 2.96Å; E251-R254 PolarHBondContact OE1-NH1 2.8Å; E251-R254 IonicContact OE1-NH2 3.73Å; E251-R254 PolarHBondContact OE1-NH2 2.91Å; E251-R254 IonicContact OE2-CZ 2.99Å; E251-R254 VanDerWaalsContact OE2-CZ 3.29Å; E251-R254 IonicContact OE2-NH1 2.72Å; E251-R254 PolarHBondContact OE2-NH1 2.77Å; E251-R254 IonicContact OE2-NH2 3.66Å; I252-R254 PolarHBondContact O-N 3.49Å; R254-L256 VanDerWaalsContact C-N 3.25Å; R254-L256 PolarHBondContact O-N 3.01Å; R254-R257 WeakPolarHBondContact O-CB 3.46Å; R254-R257 PolarHBondContact O-N 2.94Å; R254-D258 PolarHBondContact O-N 3.06Å; R254-D258 VanDerWaalsContact O-N 3.11Å
255	C	66	Low	63.5	Low	66 Å²	66	110 Å²	110	45%	0.446	55%	0.545	S	S	.	.	H	α-helix	trans	-57	-38.4	176.9	-68.3	0	0	0	0	112.6	E251 I252 R257 D258 L259	E251-C255 PolarHBondContact O-N 3.43Å; I252-C255 PolarHBondContact O-N 2.89Å; C255-R257 VanDerWaalsContact C-N 3.28Å; C255-R257 PolarHBondContact O-N 2.91Å; C255-D258 PolarHBondContact O-N 3.41Å; C255-L259 PolarHBondContact O-N 2.76Å
256	L	60.7	Low	61.8	Low	89 Å²	89	113 Å²	113	47%	0.466	57%	0.565	S	S	.	*	H	α-helix	trans	-66.6	-26.3	176.1	-77.5	169.5	0	0	0	113.5	I252 R254	I252-L256 HydrophobicContact CG2-CD1 3.96Å; I252-L256 WeakPolarHBondContact O-CB 3.46Å; I252-L256 WeakPolarHBondContact O-CG 3.33Å; I252-L256 PolarHBondContact O-N 2.83Å; R254-L256 VanDerWaalsContact C-N 3.25Å; R254-L256 PolarHBondContact O-N 3.01Å
257	R	60.5	Low	59.9	Low	159 Å²	159	117.9 Å²	117.9	60%	0.6	58%	0.582	S	S	*	*	H	α-helix	trans	-76	-46.1	173.1	-84.2	-177.3	-77.2	-133.2	-3.1	111.1	N253 R254 C255 L259 K260 D261	N253-R257 PolarHBondContact O-NE 2.91Å; R254-R257 WeakPolarHBondContact O-CB 3.46Å; R254-R257 PolarHBondContact O-N 2.94Å; C255-R257 VanDerWaalsContact C-N 3.28Å; C255-R257 PolarHBondContact O-N 2.91Å; R257-L259 VanDerWaalsContact C-N 3.3Å; R257-L259 PolarHBondContact O-N 3.21Å; R257-K260 WeakPolarHBondContact O-CB 3.3Å; R257-K260 PolarHBondContact O-N 2.87Å; R257-D261 PolarHBondContact O-N 3.25Å; R257-D261 VanDerWaalsContact O-N 3.17Å
258	D	62.4	Low	58.3	Low	85 Å²	85	120 Å²	120	46%	0.455	59%	0.594	S	S	.	*	H	α-helix	trans	-60.1	-41.6	-179.4	-58.1	-20.9	0	0	0	111.1	R254 C255 K260 D261 E262	R254-D258 PolarHBondContact O-N 3.06Å; R254-D258 VanDerWaalsContact O-N 3.11Å; C255-D258 PolarHBondContact O-N 3.41Å; D258-K260 VanDerWaalsContact C-N 3.28Å; D258-K260 PolarHBondContact O-N 2.85Å; D258-D261 PolarHBondContact O-N 3.27Å; D258-E262 PolarHBondContact O-N 2.88Å
259	L	58.8	Low	56.6	Low	97 Å²	97	119.4 Å²	119.4	51%	0.508	60%	0.602	S	S	.	*	H	α-helix	trans	-65	-30.5	175.8	-123.5	103.3	0	0	0	113.5	C255 R257 T263	C255-L259 PolarHBondContact O-N 2.76Å; R257-L259 VanDerWaalsContact C-N 3.3Å; R257-L259 PolarHBondContact O-N 3.21Å; L259-T263 PolarHBondContact O-OG1 2.93Å
260	K	58.2	Low	55.4	Low	160 Å²	160	120.1 Å²	120.1	70%	0.696	62%	0.616	S	S	*	*	H	α-helix	trans	-74.9	-29.9	-179.8	-161.7	175.9	-175.2	178.3	0	111.6	R257 D258 T263	R257-K260 WeakPolarHBondContact O-CB 3.3Å; R257-K260 PolarHBondContact O-N 2.87Å; D258-K260 VanDerWaalsContact C-N 3.28Å; D258-K260 PolarHBondContact O-N 2.85Å; K260-T263 PolarHBondContact O-OG1 3.15Å
261	D	54	Low	54.1	Low	118 Å²	118	119.8 Å²	119.8	63%	0.631	62%	0.621	S	S	*	*	H	α-helix	trans	-75.8	-34.9	178	-69.4	-18.5	0	0	0	111.7	R257 D258 T263 S264	R257-D261 PolarHBondContact O-N 3.25Å; R257-D261 VanDerWaalsContact O-N 3.17Å; D258-D261 PolarHBondContact O-N 3.27Å; D261-T263 VanDerWaalsContact C-N 3.32Å; D261-T263 PolarHBondContact O-N 2.81Å; D261-S264 PolarHBondContact O-OG 2.78Å
262	E	54.2	Low	52.5	Low	173 Å²	173	123.5 Å²	123.5	81%	0.808	63%	0.633	S	S	*	*	H	α-helix	trans	-72.6	-19	177.4	-69.8	-168.5	168.6	0	0	114.2	D258	D258-E262 PolarHBondContact O-N 2.88Å
263	T	50.6	Low	51.2	Low	78 Å²	78	127.7 Å²	127.7	48%	0.479	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.6	14.6	-177.8	45.2	0	0	0	0	114.3	L259 K260 D261 N265	L259-T263 PolarHBondContact O-OG1 2.93Å; K260-T263 PolarHBondContact O-OG1 3.15Å; D261-T263 VanDerWaalsContact C-N 3.32Å; D261-T263 PolarHBondContact O-N 2.81Å; T263-N265 PolarHBondContact O-N 3.03Å
264	S	45.8	Very low	50	Low	94 Å²	94	133.7 Å²	133.7	66%	0.657	67%	0.666	S	S	*	*			trans	-68.6	3.5	178.5	52.4	0	0	0	0	115.8	D261	D261-S264 PolarHBondContact O-OG 2.78Å
265	N	42.4	Very low	48.8	Very low	147 Å²	147	134.5 Å²	134.5	79%	0.786	68%	0.678	S	S	*	*	S	Bend	trans	-131.4	63.9	172.9	-77.1	-29.6	0	0	0	111.6	T263	T263-N265 PolarHBondContact O-N 3.03Å
266	D	38.6	Very low	47.6	Very low	158 Å²	158	138 Å²	138	85%	0.845	69%	0.692	S	S	*	*			trans	179	142.9	132.4	-100.6	-33.6	0	0	0	111.4	D268	D266-D268 PolarHBondContact O-N 3.24Å
267	K	37.9	Very low	46.4	Very low	199 Å²	199	136.4 Å²	136.4	87%	0.865	69%	0.688	S	S	*	*			trans	-78.5	96.6	-177.7	-65.7	174	179	173.8	0	109.3
268	D	39.1	Very low	45.6	Very low	155 Å²	155	134.3 Å²	134.3	83%	0.829	70%	0.695	S	S	*	*			trans	-146	89.6	150.1	-96.3	-28.5	0	0	0	109.9	D266	D266-D268 PolarHBondContact O-N 3.24Å
269	S	37.2	Very low	44.7	Very low	107 Å²	107	137.9 Å²	137.9	75%	0.748	71%	0.709	S	S	*	*			trans	-77.9	120.1	167.3	91.4	0	0	0	0	107.6
270	T	45.3	Very low	43.6	Very low	131 Å²	131	137.5 Å²	137.5	80%	0.804	72%	0.72	S	S	*	*	S	Bend	trans	178.9	-11.2	139.2	31.6	0	0	0	0	115.8
271	D	45.2	Very low	42.5	Very low	131 Å²	131	137.7 Å²	137.7	70%	0.701	72%	0.721	S	S	*	*	S	Bend	trans	-101	0.8	-177.2	-108.2	-14.1	0	0	0	116.8
272	Y	37.9	Very low	41.6	Very low	153 Å²	153	140.5 Å²	140.5	60%	0.6	73%	0.73	S	S	*	*	S	Bend	trans	-87.6	-14.4	-176	-79.7	-80.2	0	0	0	115.8	R274	Y272-R274 VanDerWaalsContact C-N 3.34Å; Y272-R274 PolarHBondContact O-N 2.86Å
273	E	43.7	Very low	40.6	Very low	173 Å²	173	138.4 Å²	138.4	81%	0.808	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-79.1	-14.5	179	-80.3	-160.6	157.3	0	0	113.9	I275 L276	E273-I275 VanDerWaalsContact C-N 3.27Å; E273-I275 PolarHBondContact O-N 2.99Å; E273-L276 PolarHBondContact O-N 3.25Å
274	R	45.1	Very low	39.7	Very low	215 Å²	215	140.7 Å²	140.7	81%	0.811	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-77.4	-8.9	-178.2	-126.9	177	-169.2	172	3	114.8	Y272	Y272-R274 VanDerWaalsContact C-N 3.34Å; Y272-R274 PolarHBondContact O-N 2.86Å
275	I	40.3	Very low	39.2	Very low	137 Å²	137	143.4 Å²	143.4	70%	0.703	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-94.3	-6.5	178.7	-56	177.7	0	0	0	111.6	E273	E273-I275 VanDerWaalsContact C-N 3.27Å; E273-I275 PolarHBondContact O-N 2.99Å
276	L	40.8	Very low	38.7	Very low	138 Å²	138	142 Å²	142	72%	0.723	73%	0.733	S	S	*	*			trans	-99.6	7.2	-178.5	-78.1	161.8	0	0	0	114.8	E273 P278	E273-L276 PolarHBondContact O-N 3.25Å; L276-P278 WeakPolarHBondContact O-CD 3.47Å
277	S	36.5	Very low	38.5	Very low	56 Å²	56	142.9 Å²	142.9	39%	0.392	73%	0.729	S	S	.	*			trans	-73.2	124.4	175.5	-50.3	0	0	0	0	111.1	E279	S277-E279 WeakPolarHBondContact CB-OE2 3.39Å; S277-E279 PolarHBondContact O-N 2.94Å
278	P	43.7	Very low	38.3	Very low	116 Å²	116	140.2 Å²	140.2	75%	0.753	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-64.3	-1.9	-178.4	-20.1	32	0	0	0	115.4	L276 A280	L276-P278 WeakPolarHBondContact O-CD 3.47Å; P278-A280 PolarHBondContact O-N 3.46Å
279	E	42.6	Very low	37.9	Very low	160 Å²	160	142.3 Å²	142.3	75%	0.748	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-75.5	-4.3	-172.5	-70	133.8	168.7	0	0	114.4	S277 F281	S277-E279 WeakPolarHBondContact CB-OE2 3.39Å; S277-E279 PolarHBondContact O-N 2.94Å; E279-F281 VanDerWaalsContact C-N 3.34Å
280	A	37.5	Very low	37.6	Very low	88 Å²	88	146.8 Å²	146.8	73%	0.727	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-82.1	-3.9	175.6	0	0	0	0	0	114.6	P278	P278-A280 PolarHBondContact O-N 3.46Å
281	F	35.1	Very low	37.1	Very low	165 Å²	165	149.7 Å²	149.7	72%	0.724	74%	0.743	S	S	*	*			trans	-124.1	61.6	-178.8	-77.9	-86.7	0	0	0	112.7	E279	E279-F281 VanDerWaalsContact C-N 3.34Å
282	H	33.6	Very low	36.3	Very low	177 Å²	177	151.4 Å²	151.4	82%	0.819	75%	0.751	S	S	*	*			trans	-107.4	88.1	156.9	-88.6	-56	0	0	0	109.1	N284	H282-N284 PolarHBondContact O-N 2.88Å
283	V	33.1	Very low	35.8	Very low	128 Å²	128	152.3 Å²	152.3	78%	0.776	77%	0.765	S	S	*	*			trans	-70.2	106.9	157.6	176.9	0	0	0	0	105.7	E285	V283-E285 PolarHBondContact O-N 3.18Å
284	N	32.9	Very low	35.2	Very low	127 Å²	127	153.9 Å²	153.9	68%	0.679	77%	0.769	S	S	*	*			trans	-66.1	101.9	178.1	-163.4	18.4	0	0	0	108.3	H282 N286	H282-N284 PolarHBondContact O-N 2.88Å; N284-N286 PolarHBondContact ND2-OD1 3.43Å; N284-N286 PolarHBondContact O-N 3.02Å
285	E	33.8	Very low	34.4	Very low	150 Å²	150	155 Å²	155	70%	0.701	77%	0.774	S	S	*	*			trans	-63.9	82.8	169.4	-70.8	-177.3	172.7	0	0	109.1	V283 K287	V283-E285 PolarHBondContact O-N 3.18Å; E285-K287 PolarHBondContact O-N 3.27Å
286	N	33.2	Very low	33.8	Very low	119 Å²	119	154.6 Å²	154.6	64%	0.636	78%	0.778	S	S	*	*			trans	-71	88.5	167.4	-78.1	-17.8	0	0	0	108.5	N284 N288	N284-N286 PolarHBondContact ND2-OD1 3.43Å; N284-N286 PolarHBondContact O-N 3.02Å; N286-N288 PolarHBondContact O-N 3.3Å
287	K	34	Very low	33.3	Very low	176 Å²	176	156.3 Å²	156.3	77%	0.765	78%	0.782	S	S	*	*			trans	-61.8	80.2	164.3	-66	174.4	179.8	175.5	0	109.6	E285	E285-K287 PolarHBondContact O-N 3.27Å
288	N	33	Very low	32.8	Very low	143 Å²	143	162.5 Å²	162.5	77%	0.765	80%	0.802	S	S	*	*			trans	-127.3	35.3	178.6	-89.7	-2.5	0	0	0	112.7	N286	N286-N288 PolarHBondContact O-N 3.3Å
289	E	30.5	Very low	32	Very low	198 Å²	198	162.2 Å²	162.2	93%	0.925	80%	0.803	S	S	*	*			trans	-105.7	4.2	177.9	-85.8	-164.8	162.4	0	0	116
290	E	32.5	Very low	31.3	Very low	201 Å²	201	163.6 Å²	163.6	94%	0.939	81%	0.806	S	S	*	*	S	Bend	trans	-95.4	1.8	-177.3	-105.7	-174.2	165.6	0	0	116.9
291	E	33.7	Very low	30.8	Very low	193 Å²	193	166.9 Å²	166.9	90%	0.902	81%	0.81	S	S	*	*	S	Bend	trans	-110.4	13	-167.4	-125	-174.4	177.3	0	0	118.2
292	L	29.2	Very low	30.4	Very low	167 Å²	167	164.4 Å²	164.4	87%	0.874	81%	0.811	S	S	*	*	S	Bend	trans	-116.9	8.6	-174.8	-100.6	157.1	0	0	0	117.9
293	L	27.6	Very low	30.1	Very low	171 Å²	171	163.2 Å²	163.2	90%	0.895	81%	0.809	S	S	*	*	S	Bend	trans	-127	42.5	-175	-96.9	135.9	0	0	0	115.2
294	K	30.4	Very low	29.7	Very low	206 Å²	206	167.6 Å²	167.6	90%	0.896	81%	0.812	S	S	*	*			trans	-143.5	62.4	163.4	-66.5	-172.8	-175.8	170.8	0	112.1
295	R	27.8	Very low	29.4	Very low	240 Å²	240	169.3 Å²	169.3	91%	0.906	82%	0.815	S	S	*	*			trans	-133.3	71.5	165.6	-87.4	-176.1	173.9	160.3	-0.5	110
296	T	29	Very low	29.1	Very low	128 Å²	128	170.8 Å²	170.8	79%	0.785	82%	0.822	S	S	*	*			trans	-122.7	105.2	162.7	50.9	0	0	0	0	109.1	F298	T296-F298 PolarHBondContact O-N 2.87Å
297	H	28.8	Very low	28.9	Very low	174 Å²	174	171.6 Å²	171.6	81%	0.806	83%	0.827	S	S	*	*			trans	-29.7	113.4	165.7	-63	-91	0	0	0	114.1
298	F	26.9	Very low	28.6	Very low	186 Å²	186	167.6 Å²	167.6	82%	0.816	82%	0.821	S	S	*	*			trans	-127.4	80	151.9	-98.8	-82.3	0	0	0	107.7	T296 K300	T296-F298 PolarHBondContact O-N 2.87Å; F298-K300 VanDerWaalsContact C-N 3.33Å; F298-K300 PolarHBondContact O-N 3.26Å; F298-K300 VanDerWaalsContact O-N 3.16Å
299	S	26.5	Very low	28.4	Very low	110 Å²	110	169.8 Å²	169.8	77%	0.769	82%	0.824	S	S	*	*			trans	-76.5	87.5	163.3	51.8	0	0	0	0	108.1
300	K	27.9	Very low	28.2	Very low	189 Å²	189	167.5 Å²	167.5	82%	0.822	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-71.3	123.9	167.2	-91.9	-180	173.5	179.2	0	108.5	F298	F298-K300 VanDerWaalsContact C-N 3.33Å; F298-K300 PolarHBondContact O-N 3.26Å; F298-K300 VanDerWaalsContact O-N 3.16Å
301	L	26.3	Very low	28.2	Very low	156 Å²	156	166.4 Å²	166.4	82%	0.817	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-57.7	146.9	174.6	-79.8	122.1	0	0	0	111.4	I303	L301-I303 PolarHBondContact O-N 3.41Å
302	P	28.5	Very low	27.8	Very low	114 Å²	114	166.1 Å²	166.1	74%	0.74	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-76.1	117.9	-178.5	1	16.3	0	0	0	109.9	R304	P302-R304 PolarHBondContact O-N 2.93Å
303	I	26.4	Very low	27.9	Very low	152 Å²	152	163.3 Å²	163.3	78%	0.779	81%	0.805	S	S	*	*			trans	-71.8	112.7	168.1	-62.8	170.4	0	0	0	106.5	L301 H305	L301-I303 PolarHBondContact O-N 3.41Å; I303-H305 PolarHBondContact O-N 3.27Å
304	R	23.8	Very low	28	Very low	220 Å²	220	163.4 Å²	163.4	83%	0.83	80%	0.801	S	S	*	*			trans	-74.2	111.3	174.1	-72.5	-177.7	175.2	-175.7	-1.9	108.3	P302 E306	P302-R304 PolarHBondContact O-N 2.93Å; R304-E306 PolarHBondContact O-N 3.44Å
305	H	26.7	Very low	27.9	Very low	162 Å²	162	162.7 Å²	162.7	75%	0.75	80%	0.801	S	S	*	*			trans	-68.2	109.2	159.3	-76	-90.1	0	0	0	107.4	I303	I303-H305 PolarHBondContact O-N 3.27Å
306	E	29	Very low	28	Very low	181 Å²	181	159.8 Å²	159.8	85%	0.846	80%	0.8	S	S	*	*			trans	-95.5	108.2	159.8	-75.1	-164.7	168.5	0	0	107.2	R304	R304-E306 PolarHBondContact O-N 3.44Å
307	D	27.6	Very low	28	Very low	137 Å²	137	162.7 Å²	162.7	73%	0.733	80%	0.802	S	S	*	*			trans	-69.8	133.9	177.4	-68.4	-46.9	0	0	0	111.1
308	S	27.8	Very low	27.9	Very low	92 Å²	92	161.6 Å²	161.6	64%	0.643	80%	0.802	S	S	*	*			trans	-1.2	125.3	150	57.8	0	0	0	0	117.9
309	K	28.9	Very low	28.1	Very low	189 Å²	189	157.9 Å²	157.9	82%	0.822	81%	0.805	S	S	*	*			trans	-137.9	81.4	146	-73.2	-166.7	178.3	-175.5	0	109	E311	K309-E311 PolarHBondContact O-N 3.18Å
310	D	27.4	Very low	28.2	Very low	149 Å²	149	160.6 Å²	160.6	80%	0.797	81%	0.806	S	S	*	*			trans	-80.2	98.6	164.4	-62.6	-46.7	0	0	0	107.4	E312	D310-E312 PolarHBondContact O-N 2.99Å
311	E	31.3	Very low	28.1	Very low	178 Å²	178	157.8 Å²	157.8	83%	0.832	80%	0.8	S	S	*	*			trans	-90	85.6	167.4	-74.7	-173	176.8	0	0	108.4	K309	K309-E311 PolarHBondContact O-N 3.18Å
312	E	25.5	Very low	28.3	Very low	188 Å²	188	157.4 Å²	157.4	88%	0.879	80%	0.804	S	S	*	*			trans	-90.4	115.1	160.6	-74.4	-175.9	161.2	0	0	108.4	D310	D310-E312 PolarHBondContact O-N 2.99Å
313	S	31.3	Very low	28.3	Very low	107 Å²	107	158.5 Å²	158.5	75%	0.748	80%	0.803	S	S	*	*			trans	-145.9	110.4	164.9	65.5	0	0	0	0	112.5
314	E	30.8	Very low	28.4	Very low	174 Å²	174	158.7 Å²	158.7	81%	0.813	81%	0.806	S	S	*	*			trans	68.8	81.7	134.3	-61.5	-74.2	148.8	0	0	118.3	M316	E314-M316 PolarHBondContact O-N 3.16Å
315	E	27.2	Very low	28.5	Very low	190 Å²	190	154.8 Å²	154.8	89%	0.888	80%	0.801	S	S	*	*			trans	-70.5	102.4	153.7	-68.3	-177.7	156.1	0	0	110.1
316	M	29.9	Very low	28.6	Very low	179 Å²	179	154 Å²	154	88%	0.882	80%	0.803	S	S	*	*			trans	-76.4	125.8	172.5	-84.4	-172.8	83.7	0	0	111.9	E314	E314-M316 PolarHBondContact O-N 3.16Å
317	K	30.1	Very low	28.4	Very low	190 Å²	190	150.6 Å²	150.6	83%	0.826	80%	0.799	S	S	*	*			trans	-70.5	135.2	-175	-65.7	168.5	176.9	171	0	113.8
318	N	26.5	Very low	28.4	Very low	150 Å²	150	153.5 Å²	153.5	80%	0.802	81%	0.805	S	S	*	*			trans	6.8	113.3	140.5	-55.6	-20.7	0	0	0	117.1
319	A	31.1	Very low	28.1	Very low	108 Å²	108	160.5 Å²	160.5	89%	0.893	82%	0.817	S	S	*	*			trans	-99.9	101.7	158.1	0	0	0	0	0	108.2
320	E	28.4	Very low	27.9	Very low	167 Å²	167	156 Å²	156	78%	0.78	81%	0.81	S	S	*	*			trans	-76.1	140.3	169.7	-74.4	173.9	155.5	0	0	111.1
321	D	25.3	Very low	27.9	Very low	130 Å²	130	158.5 Å²	158.5	70%	0.695	81%	0.814	S	S	*	*			trans	43.6	107.7	140.3	-62.4	-17.7	0	0	0	120.2
322	T	31.6	Very low	27.6	Very low	148 Å²	148	156.8 Å²	156.8	91%	0.908	81%	0.806	S	S	*	*			trans	-134.7	91.9	138.5	25.7	0	0	0	0	109.5	D324	T322-D324 PolarHBondContact O-N 3.4Å
323	L	27.5	Very low	28.1	Very low	137 Å²	137	155.9 Å²	155.9	72%	0.717	81%	0.806	S	S	*	*			trans	-70.3	99.8	166.4	-76.1	159.8	0	0	0	109.2	N325	L323-N325 PolarHBondContact O-N 3.38Å
324	D	29.3	Very low	28.4	Very low	156 Å²	156	156.7 Å²	156.7	83%	0.834	80%	0.802	S	S	*	*			trans	-93	90.2	166.8	-124.1	-3.6	0	0	0	109.8	T322 N326	T322-D324 PolarHBondContact O-N 3.4Å; D324-N326 PolarHBondContact O-N 3.47Å; D324-N326 VanDerWaalsContact O-N 3.09Å
325	N	24.6	Very low	29.1	Very low	138 Å²	138	155.9 Å²	155.9	74%	0.738	80%	0.803	S	S	*	*			trans	-65	96.8	170.7	-80.9	-43.9	0	0	0	110.1	L323	L323-N325 PolarHBondContact O-N 3.38Å
326	N	28.7	Very low	30.5	Very low	147 Å²	147	149.4 Å²	149.4	79%	0.786	78%	0.779	S	S	*	*			trans	-119.4	97.7	159.9	-102.2	-36.1	0	0	0	111.2	D324 K328	D324-N326 PolarHBondContact O-N 3.47Å; D324-N326 VanDerWaalsContact O-N 3.09Å; N326-K328 PolarHBondContact O-N 3.37Å; N326-K328 VanDerWaalsContact O-N 3.17Å
327	S	26	Very low	32.2	Very low	109 Å²	109	149.4 Å²	149.4	76%	0.762	77%	0.774	S	S	*	*			trans	-50.1	107.2	168.7	55.2	0	0	0	0	112.6
328	K	27.3	Very low	34.6	Very low	198 Å²	198	143.3 Å²	143.3	86%	0.861	76%	0.755	S	S	*	*			trans	-133.4	88.6	150.9	-78.7	-173	177.3	168.8	0	109.5	N326 S330	N326-K328 PolarHBondContact O-N 3.37Å; N326-K328 VanDerWaalsContact O-N 3.17Å; K328-S330 VanDerWaalsContact C-N 3.35Å; K328-S330 PolarHBondContact O-N 2.81Å
329	R	22.1	Very low	37.5	Very low	239 Å²	239	138.6 Å²	138.6	90%	0.902	73%	0.73	S	S	*	*			trans	-58.1	93.3	159.1	-80.6	174.5	167.8	164.9	-3.8	108.6
330	S	24.3	Very low	40.2	Very low	95 Å²	95	138 Å²	138	66%	0.664	71%	0.711	S	S	*	*			trans	-112.1	101	161.5	52.9	0	0	0	0	108.3	K328 E332	K328-S330 VanDerWaalsContact C-N 3.35Å; K328-S330 PolarHBondContact O-N 2.81Å; S330-E332 VanDerWaalsContact C-N 3.33Å; S330-E332 PolarHBondContact O-N 2.95Å
331	F	26.3	Very low	43.2	Very low	200 Å²	200	130.7 Å²	130.7	88%	0.877	68%	0.676	S	S	*	*			trans	-62.3	90.7	166.1	-83.4	-99	0	0	0	109.1
332	E	26.2	Very low	46.3	Very low	143 Å²	143	127.9 Å²	127.9	67%	0.668	66%	0.658	S	S	*	*			trans	-138.2	66.7	164.6	-74.8	-174	177.4	0	0	108.5	S330 N334	S330-E332 VanDerWaalsContact C-N 3.33Å; S330-E332 PolarHBondContact O-N 2.95Å; E332-N334 PolarHBondContact O-N 3.05Å
333	L	35.2	Very low	49.2	Very low	169 Å²	169	120.8 Å²	120.8	89%	0.885	62%	0.615	S	S	*	*			trans	-75.6	77.8	154.7	-75.4	176.7	0	0	0	106.7	D335	L333-D335 PolarHBondContact O-N 2.8Å
334	N	39.2	Very low	52.1	Low	123 Å²	123	114.4 Å²	114.4	66%	0.658	58%	0.581	S	S	*	*			trans	-40.2	131.2	161.2	-72.2	-35.4	0	0	0	108.3	E332 S336	E332-N334 PolarHBondContact O-N 3.05Å; N334-S336 PolarHBondContact O-N 2.73Å
335	D	44.5	Very low	55	Low	157 Å²	157	107 Å²	107	84%	0.84	54%	0.541	S	S	*	.			trans	-50.7	67.1	-169.9	-144.9	10	0	0	0	112.9	L333 K337	L333-D335 PolarHBondContact O-N 2.8Å; D335-K337 VanDerWaalsContact C-N 3.25Å; D335-K337 PolarHBondContact O-N 3.17Å
336	S	56.4	Low	58	Low	54 Å²	54	100.6 Å²	100.6	38%	0.378	51%	0.507	S	S	.	.			trans	-73.2	87.2	-174.2	54.7	0	0	0	0	107.4	N334 S338 N401	N334-S336 PolarHBondContact O-N 2.73Å; S336-S338 PolarHBondContact O-N 2.81Å; S336-S338 PolarHBondContact O-OG 2.96Å; S336-N401 PolarHBondContact OG-ND2 2.67Å
337	K	66.6	Low	60.9	Low	180 Å²	180	93.7 Å²	93.7	78%	0.783	47%	0.47	S	S	*	.			trans	-42.2	108.8	174.7	-75.3	-179.5	179.4	174.6	0	108.5	D335	D335-K337 VanDerWaalsContact C-N 3.25Å; D335-K337 PolarHBondContact O-N 3.17Å
338	S	79.7	Confident	63.8	Low	62 Å²	62	88.8 Å²	88.8	43%	0.434	44%	0.436	S	S	.	.			trans	-79.5	128.5	177.7	-63.1	0	0	0	0	108.3	S336 N401	S336-S338 PolarHBondContact O-N 2.81Å; S336-S338 PolarHBondContact O-OG 2.96Å; S338-N401 CarbonylContact C-O 3.48Å; S338-N401 WeakPolarHBondContact CA-O 3.43Å; S338-N401 WeakPolarHBondContact OG-CB 3.45Å
339	L	87.3	Confident	66.5	Low	51 Å²	51	89 Å²	89	27%	0.267	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	126.7	176.1	-63.7	-179.6	0	0	0	109	F341 V400 N401 Y402 L403 K531	L339-F341 HydrophobicContact CB-CD2 4.38Å; L339-F341 HydrophobicContact CB-CE2 3.66Å; L339-F341 HydrophobicContact CB-CZ 4.13Å; L339-F341 HydrophobicContact CD1-CE2 4.2Å; L339-F341 HydrophobicContact CD1-CZ 4.24Å; L339-V400 HydrophobicContact CD1-CG1 3.81Å; L339-V400 HydrophobicContact CG-CG1 3.99Å; L339-N401 PolarHBondContact N-O 3.33Å; L339-Y402 HydrophobicContact CB-CD1 4.29Å; L339-Y402 HydrophobicContact CD1-CE1 4.08Å; L339-Y402 CarbonylContact O-C 3.52Å; L339-Y402 WeakPolarHBondContact O-CA 3.23Å; L339-L403 PolarHBondContact O-N 3.39Å; L339-K531 HydrophobicContact CD1-CG 3.87Å
340	I	88.3	Confident	69.4	Low	96 Å²	96	79.8 Å²	79.8	49%	0.492	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	125.5	179.6	-51.4	179.6	0	0	0	108.6	L403	I340-L403 CarbonylContact C-O 3.56Å; I340-L403 VanDerWaalsContact CA-O 3.26Å; I340-L403 WeakPolarHBondContact CA-O 3.5Å; I340-L403 HydrophobicContact CD1-CD2 4.2Å; I340-L403 HydrophobicContact CG1-CB 4.17Å; I340-L403 HydrophobicContact CG1-CD2 4.14Å; I340-L403 HydrophobicContact CG2-CD2 4.45Å
341	F	91.7	Very high	72.5	Confident	12 Å²	12	75.4 Å²	75.4	5%	0.053	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.3	178.2	-66.4	-68.4	0	0	0	111.5	L339 Y402 L403 I404 Q405 D434 L530	L339-F341 HydrophobicContact CB-CD2 4.38Å; L339-F341 HydrophobicContact CB-CE2 3.66Å; L339-F341 HydrophobicContact CB-CZ 4.13Å; L339-F341 HydrophobicContact CD1-CE2 4.2Å; L339-F341 HydrophobicContact CD1-CZ 4.24Å; F341-Y402 HydrophobicContact CD2-CD1 4.02Å; F341-Y402 AromaticContact CE2-CD1 3.69Å; F341-Y402 HydrophobicContact CE2-CD1 3.69Å; F341-Y402 AromaticContact CE2-CE1 3.86Å; F341-Y402 HydrophobicContact CE2-CE1 3.86Å; F341-L403 PolarHBondContact N-O 3.06Å; F341-I404 WeakPolarHBondContact O-CA 3.35Å; F341-Q405 PolarHBondContact O-N 2.99Å; F341-D434 WeakPolarHBondContact CA-OD2 3.36Å; F341-D434 HydrophobicContact CB-CB 4.49Å; F341-D434 HydrophobicContact CD1-CB 3.88Å; F341-L530 HydrophobicContact CB-CD1 4.07Å; F341-L530 HydrophobicContact CD1-CB 4.07Å; F341-L530 HydrophobicContact CD1-CD1 4.46Å; F341-L530 HydrophobicContact CD1-CD2 4.32Å; F341-L530 HydrophobicContact CD2-CB 4.17Å; F341-L530 HydrophobicContact CD2-CD1 4.27Å; F341-L530 HydrophobicContact CE1-CB 3.93Å; F341-L530 HydrophobicContact CE2-CB 4.04Å; F341-L530 HydrophobicContact CG-CB 4.18Å; F341-L530 HydrophobicContact CG-CD1 4.02Å; F341-L530 HydrophobicContact CZ-CB 3.92Å
342	K	90	Very high	75.5	Confident	71 Å²	71	66.7 Å²	66.7	31%	0.309	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	121.1	173.9	-68.3	-178.3	-178.6	-179	0	109.8	Q405 F429 D434 G435	K342-Q405 HydrophobicContact CG-CB 4.48Å; K342-F429 HydrophobicContact CB-CE1 4.21Å; K342-F429 HydrophobicContact CB-CE2 4.44Å; K342-F429 HydrophobicContact CB-CZ 3.87Å; K342-F429 HydrophobicContact CD-CE2 4.28Å; K342-F429 HydrophobicContact CG-CE2 4.4Å; K342-F429 HydrophobicContact CG-CZ 4.24Å; K342-D434 PolarHBondContact N-OD2 2.94Å; K342-D434 PolarHBondContact O-N 3.4Å; K342-G435 PolarHBondContact O-N 3.04Å
343	V	91.7	Very high	78.4	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.8	-174.6	-179.7	0	0	0	0	110.4	I404 Q405 F406 M407 G435 I437 F526 L530	V343-I404 HydrophobicContact CB-CG2 3.87Å; V343-I404 HydrophobicContact CG2-CG2 3.47Å; V343-I404 VanDerWaalsContact CG2-CG2 3.47Å; V343-Q405 PolarHBondContact N-O 3.16Å; V343-F406 HydrophobicContact CB-CD1 3.81Å; V343-F406 HydrophobicContact CB-CE1 3.93Å; V343-F406 HydrophobicContact CG1-CD1 3.74Å; V343-F406 HydrophobicContact CG1-CE1 3.66Å; V343-F406 CarbonylContact O-C 3.58Å; V343-F406 VanDerWaalsContact O-CA 3.31Å; V343-F406 WeakPolarHBondContact O-CA 3.43Å; V343-M407 PolarHBondContact O-N 3.21Å; V343-G435 VanDerWaalsContact CA-O 3.27Å; V343-G435 WeakPolarHBondContact CA-O 3.4Å; V343-I437 HydrophobicContact CG1-CD1 3.75Å; V343-I437 HydrophobicContact CG1-CG1 3.71Å; V343-F526 HydrophobicContact CB-CE1 4.43Å; V343-F526 HydrophobicContact CG1-CE1 3.76Å; V343-F526 HydrophobicContact CG1-CZ 4.13Å; V343-F526 HydrophobicContact CG2-CE1 3.73Å; V343-F526 HydrophobicContact CG2-CZ 4.41Å; V343-L530 HydrophobicContact CG2-CD1 4.21Å
344	L	89.1	Confident	80.8	Confident	2 Å²	2	57 Å²	57	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	130	178.3	-175.9	59	0	0	0	111.2	I346 M407 P409 F429 Y430 G435 I436 I437	L344-I346 HydrophobicContact CD2-CD1 3.67Å; L344-I346 HydrophobicContact CD2-CG1 3.97Å; L344-I346 HydrophobicContact CG-CD1 4.02Å; L344-I346 HydrophobicContact CG-CG1 3.75Å; L344-M407 HydrophobicContact CD1-CB 4.08Å; L344-M407 HydrophobicContact CD1-CE 3.27Å; L344-M407 HydrophobicContact CD1-CG 4.37Å; L344-M407 WeakPolarHBondContact CD1-O 3.46Å; L344-P409 HydrophobicContact CD1-CG 4.16Å; L344-F429 HydrophobicContact CD1-CD1 4.45Å; L344-Y430 HydrophobicContact CD2-CD2 3.57Å; L344-Y430 HydrophobicContact CD2-CE2 4.45Å; L344-Y430 HydrophobicContact CD2-CG 4.4Å; L344-G435 PolarHBondContact N-O 2.77Å; L344-I436 HydrophobicContact CB-CG1 4.31Å; L344-I437 PolarHBondContact O-N 3.25Å
345	L	89.8	Confident	83.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	115.5	175.7	-59.4	-174.6	0	0	0	110.7	L357 F406 M407 P409 I437 I439	L345-L357 HydrophobicContact CD1-CD1 4.08Å; L345-L357 HydrophobicContact CD1-CD2 3.49Å; L345-L357 VanDerWaalsContact CD1-CD2 3.49Å; L345-L357 HydrophobicContact CD1-CG 3.66Å; L345-F406 HydrophobicContact CD1-CB 4.31Å; L345-F406 HydrophobicContact CD1-CD1 4.16Å; L345-F406 HydrophobicContact CD1-CG 4.46Å; L345-F406 HydrophobicContact CD2-CD1 3.7Å; L345-F406 HydrophobicContact CD2-CE1 4.04Å; L345-F406 HydrophobicContact CG-CB 4.46Å; L345-F406 HydrophobicContact CG-CD1 3.93Å; L345-M407 PolarHBondContact N-O 3.31Å; L345-P409 WeakPolarHBondContact O-CD 3.27Å; L345-I437 HydrophobicContact CD2-CB 3.71Å; L345-I437 HydrophobicContact CD2-CD1 3.86Å; L345-I437 HydrophobicContact CD2-CG1 4.15Å; L345-I437 HydrophobicContact CD2-CG2 4.25Å; L345-I439 HydrophobicContact CD2-CD1 4.4Å
346	I	88.3	Confident	85.3	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.9	-177.9	-50.4	-172.2	0	0	0	109.6	L344 I412 I436 I437 L438 I439 L451 Y454	L344-I346 HydrophobicContact CD2-CD1 3.67Å; L344-I346 HydrophobicContact CD2-CG1 3.97Å; L344-I346 HydrophobicContact CG-CD1 4.02Å; L344-I346 HydrophobicContact CG-CG1 3.75Å; I346-I412 HydrophobicContact CG2-CD1 3.92Å; I346-I412 HydrophobicContact CG2-CG1 3.7Å; I346-I436 HydrophobicContact CD1-CG2 3.85Å; I346-I436 HydrophobicContact CG1-CG2 4.2Å; I346-I437 PolarHBondContact N-O 3.29Å; I346-L438 HydrophobicContact CB-CD2 3.77Å; I346-L438 HydrophobicContact CD1-CD2 4.21Å; I346-L438 HydrophobicContact CG1-CD2 4.33Å; I346-L438 HydrophobicContact CG2-CD2 4.24Å; I346-L438 CarbonylContact O-C 3.57Å; I346-L438 WeakPolarHBondContact O-CA 3.3Å; I346-I439 PolarHBondContact O-N 3.44Å; I346-L451 HydrophobicContact CG2-CD2 4.19Å; I346-Y454 HydrophobicContact CD1-CD1 4.49Å; I346-Y454 HydrophobicContact CD1-CE1 3.48Å; I346-Y454 VanDerWaalsContact CD1-CE1 3.48Å; I346-Y454 HydrophobicContact CD1-CE2 4.17Å; I346-Y454 WeakPolarHBondContact CD1-OH 3.32Å; I346-Y454 HydrophobicContact CG2-CD1 4.19Å; I346-Y454 HydrophobicContact CG2-CE1 4.12Å; I346-Y454 HydrophobicContact CG2-CE2 4.47Å; I346-Y454 HydrophobicContact CG2-CG 4.44Å
347	G	88.7	Confident	86.8	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.01	23%	0.234	C	C	.	.			trans	167	166.2	178.5	0	0	0	0	0	110.6	K353 I439	G347-K353 PolarHBondContact O-NZ 3.05Å; G347-I439 VanDerWaalsContact CA-O 3.24Å; G347-I439 WeakPolarHBondContact CA-O 3.36Å
348	S	87.1	Confident	87.7	Confident	6 Å²	6	39.2 Å²	39.2	4%	0.042	22%	0.218	C	C	.	.			trans	-66	175.1	177.2	-46.7	0	0	0	0	112.2	V351 K353 E450	S348-V351 WeakPolarHBondContact O-CG2 3.46Å; S348-K353 PolarHBondContact O-NZ 2.72Å; S348-E450 WeakPolarHBondContact CB-OE2 3.35Å; S348-E450 PolarHBondContact OG-OE2 2.7Å
349	F	84.1	Confident	88	Confident	203 Å²	203	40.2 Å²	40.2	89%	0.89	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	146.4	170.9	-175.6	-100.1	0	0	0	110.5	V351	F349-V351 PolarHBondContact O-N 2.77Å; F349-V351 VanDerWaalsContact O-N 3.07Å
350	G	83.6	Confident	87.9	Confident	46 Å²	46	37.8 Å²	37.8	47%	0.474	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	-0.1	174.8	0	0	0	0	0	117.3	G352 K477	G350-G352 PolarHBondContact O-N 3.28Å; G350-K477 WeakPolarHBondContact O-CE 3.33Å; G350-K477 PolarHBondContact O-NZ 3.09Å
351	V	89.8	Confident	87.6	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.012	20%	0.198	C	C	.	.	S	Bend	trans	-72.3	-11.6	178.5	-56.8	0	0	0	0	114.1	S348 F349 K353 I439 T447 N476	S348-V351 WeakPolarHBondContact O-CG2 3.46Å; F349-V351 PolarHBondContact O-N 2.77Å; F349-V351 VanDerWaalsContact O-N 3.07Å; V351-K353 HydrophobicContact CG2-CD 4.41Å; V351-K353 HydrophobicContact CG2-CG 3.67Å; V351-I439 HydrophobicContact CB-CG2 4.4Å; V351-I439 HydrophobicContact CG2-CB 4.23Å; V351-I439 HydrophobicContact CG2-CG2 4Å; V351-T447 HydrophobicContact CG1-CG2 3.72Å; V351-N476 PolarHBondContact O-ND2 3.41Å
352	G	87.7	Confident	86.6	Confident	17 Å²	17	39.3 Å²	39.3	18%	0.175	22%	0.22	C	C	.	.	S	Bend	trans	103.8	16	176.7	0	0	0	0	0	116.7	G350 Q354 A355 L356	G350-G352 PolarHBondContact O-N 3.28Å; G352-Q354 VanDerWaalsContact C-N 3.3Å; G352-Q354 PolarHBondContact O-N 2.98Å; G352-A355 WeakPolarHBondContact O-CB 3.49Å; G352-A355 PolarHBondContact O-N 3.03Å; G352-A355 VanDerWaalsContact O-N 3.11Å; G352-L356 PolarHBondContact O-N 2.95Å
353	K	88.3	Confident	85	Confident	21 Å²	21	37.5 Å²	37.5	9%	0.091	21%	0.214	C	C	.	.	H	α-helix	trans	-51.6	-45	177.1	-52.8	-171.3	-67.9	-95.8	0	113.5	G347 S348 V351 L357 K408 I439	G347-K353 PolarHBondContact O-NZ 3.05Å; S348-K353 PolarHBondContact O-NZ 2.72Å; V351-K353 HydrophobicContact CG2-CD 4.41Å; V351-K353 HydrophobicContact CG2-CG 3.67Å; K353-L357 PolarHBondContact O-N 3.33Å; K353-K408 HydrophobicContact CB-CD 4.06Å; K353-K408 HydrophobicContact CB-CG 4.45Å; K353-K408 HydrophobicContact CD-CG 4.48Å; K353-I439 HydrophobicContact CG-CD1 4.21Å
354	Q	85.4	Confident	83.1	Confident	88 Å²	88	41.3 Å²	41.3	41%	0.411	23%	0.234	S	C	.	.	H	α-helix	trans	-72.2	-36.8	179.5	-171.5	62.2	49.1	0	0	112.2	G352 L356 L357 N358	G352-Q354 VanDerWaalsContact C-N 3.3Å; G352-Q354 PolarHBondContact O-N 2.98Å; Q354-L356 VanDerWaalsContact C-N 3.3Å; Q354-L356 PolarHBondContact O-N 2.77Å; Q354-L357 PolarHBondContact O-N 2.8Å; Q354-N358 PolarHBondContact NE2-OD1 3.46Å; Q354-N358 VanDerWaalsContact O-CG 3.26Å; Q354-N358 PolarHBondContact O-N 3.2Å; Q354-N358 PolarHBondContact O-OD1 3.2Å
355	A	88.1	Confident	80.7	Confident	43 Å²	43	45.5 Å²	45.5	36%	0.355	26%	0.264	S	S	.	.	H	α-helix	trans	-62.1	-41.7	176.2	0	0	0	0	0	110.8	G352 N358 R359 A513	G352-A355 WeakPolarHBondContact O-CB 3.49Å; G352-A355 PolarHBondContact O-N 3.03Å; G352-A355 VanDerWaalsContact O-N 3.11Å; A355-N358 PolarHBondContact O-N 3.15Å; A355-R359 WeakPolarHBondContact O-CB 3.37Å; A355-R359 PolarHBondContact O-N 2.82Å; A355-A513 HydrophobicContact CB-CB 3.87Å
356	L	89	Confident	78.2	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-59.5	-48.6	174.5	-176.7	68	0	0	0	111.3	G352 Q354 N358 R359 L360 I439 L474 I511 A513 V519	G352-L356 PolarHBondContact O-N 2.95Å; Q354-L356 VanDerWaalsContact C-N 3.3Å; Q354-L356 PolarHBondContact O-N 2.77Å; L356-N358 PolarHBondContact O-N 3.04Å; L356-R359 PolarHBondContact O-N 2.84Å; L356-L360 HydrophobicContact CG-CD1 4.24Å; L356-L360 WeakPolarHBondContact O-CG 3.45Å; L356-L360 PolarHBondContact O-N 2.96Å; L356-I439 HydrophobicContact CD2-CD1 3.59Å; L356-L474 HydrophobicContact CD2-CD1 4.06Å; L356-I511 HydrophobicContact CD1-CD1 3.9Å; L356-A513 HydrophobicContact CB-CB 4.22Å; L356-V519 HydrophobicContact CD1-CG1 3.67Å; L356-V519 HydrophobicContact CD1-CG2 4.22Å
357	L	87.9	Confident	75.4	Confident	11 Å²	11	58.8 Å²	58.8	6%	0.058	33%	0.33	C	S	.	.	H	α-helix	trans	-59.3	-47.5	177.7	-73.6	179.3	0	0	0	112.3	L345 K353 Q354 R359 L360 S361 A391 F406 K408	L345-L357 HydrophobicContact CD1-CD1 4.08Å; L345-L357 HydrophobicContact CD1-CD2 3.49Å; L345-L357 VanDerWaalsContact CD1-CD2 3.49Å; L345-L357 HydrophobicContact CD1-CG 3.66Å; K353-L357 PolarHBondContact O-N 3.33Å; Q354-L357 PolarHBondContact O-N 2.8Å; L357-R359 VanDerWaalsContact C-N 3.28Å; L357-R359 PolarHBondContact O-N 2.85Å; L357-L360 PolarHBondContact O-N 3.24Å; L357-S361 PolarHBondContact O-N 2.86Å; L357-S361 PolarHBondContact O-OG 2.83Å; L357-A391 HydrophobicContact CD1-CB 4.4Å; L357-A391 HydrophobicContact CD2-CB 3.93Å; L357-F406 HydrophobicContact CD2-CB 3.61Å; L357-F406 HydrophobicContact CD2-CD2 4.08Å; L357-F406 HydrophobicContact CD2-CG 3.89Å; L357-K408 HydrophobicContact CD1-CB 4.23Å; L357-K408 HydrophobicContact CD1-CD 4.41Å
358	N	86	Confident	72.4	Confident	83 Å²	83	64.9 Å²	64.9	44%	0.444	37%	0.369	S	S	.	.	H	α-helix	trans	-61.6	-38.8	179.2	-68.4	-1.6	0	0	0	111.4	Q354 A355 L356 S361 S362	Q354-N358 PolarHBondContact NE2-OD1 3.46Å; Q354-N358 VanDerWaalsContact O-CG 3.26Å; Q354-N358 PolarHBondContact O-N 3.2Å; Q354-N358 PolarHBondContact O-OD1 3.2Å; A355-N358 PolarHBondContact O-N 3.15Å; L356-N358 PolarHBondContact O-N 3.04Å; N358-S361 PolarHBondContact O-N 3.3Å; N358-S362 WeakPolarHBondContact O-CB 3.39Å; N358-S362 PolarHBondContact O-N 3.23Å; N358-S362 PolarHBondContact O-OG 3.47Å
359	R	85.9	Confident	69.6	Low	83 Å²	83	71.3 Å²	71.3	31%	0.313	40%	0.402	S	S	.	.	H	α-helix	trans	-65	-44.2	177	-175.6	61.8	168.5	-177.4	-2.1	111.8	A355 L356 L357 S361 S362 N363 S515	A355-R359 WeakPolarHBondContact O-CB 3.37Å; A355-R359 PolarHBondContact O-N 2.82Å; L356-R359 PolarHBondContact O-N 2.84Å; L357-R359 VanDerWaalsContact C-N 3.28Å; L357-R359 PolarHBondContact O-N 2.85Å; R359-S361 VanDerWaalsContact C-N 3.34Å; R359-S362 PolarHBondContact O-N 2.99Å; R359-N363 PolarHBondContact O-N 2.94Å; R359-N363 VanDerWaalsContact O-N 3.16Å; R359-N363 PolarHBondContact O-ND2 3.23Å; R359-S515 PolarHBondContact NH2-O 3.01Å
360	L	85.5	Confident	66.8	Low	1 Å²	1	68.5 Å²	68.5	1%	0.005	40%	0.397	C	S	.	.	H	α-helix	trans	-64.5	-39.1	176.8	-66.6	176.2	0	0	0	111.5	L356 L357 Y393 F406 V519 I523	L356-L360 HydrophobicContact CG-CD1 4.24Å; L356-L360 WeakPolarHBondContact O-CG 3.45Å; L356-L360 PolarHBondContact O-N 2.96Å; L357-L360 PolarHBondContact O-N 3.24Å; L360-Y393 HydrophobicContact CB-CD2 3.83Å; L360-Y393 HydrophobicContact CB-CE2 4.04Å; L360-Y393 HydrophobicContact CB-CG 4.4Å; L360-Y393 HydrophobicContact CD2-CE2 4.38Å; L360-Y393 WeakPolarHBondContact O-CD2 3.22Å; L360-Y393 WeakPolarHBondContact O-CE2 3.32Å; L360-F406 HydrophobicContact CD1-CE2 3.74Å; L360-F406 HydrophobicContact CD1-CZ 3.84Å; L360-V519 HydrophobicContact CD2-CG1 3.9Å; L360-I523 HydrophobicContact CD1-CD1 4.24Å; L360-I523 HydrophobicContact CD1-CG1 4.45Å; L360-I523 HydrophobicContact CD2-CG1 3.92Å
361	S	81.1	Confident	64.2	Low	66 Å²	66	73.3 Å²	73.3	46%	0.462	41%	0.411	S	S	.	.	H	α-helix	trans	-69.7	-36.1	176.1	-61.6	0	0	0	0	113.4	L357 N358 R359	L357-S361 PolarHBondContact O-N 2.86Å; L357-S361 PolarHBondContact O-OG 2.83Å; N358-S361 PolarHBondContact O-N 3.3Å; R359-S361 VanDerWaalsContact C-N 3.34Å
362	S	72.2	Confident	61.2	Low	73 Å²	73	79.8 Å²	79.8	51%	0.51	45%	0.445	S	S	.	.	H	α-helix	trans	-72.4	-37.2	-178.1	-54.7	0	0	0	0	112.6	N358 R359 N364 S365	N358-S362 WeakPolarHBondContact O-CB 3.39Å; N358-S362 PolarHBondContact O-N 3.23Å; N358-S362 PolarHBondContact O-OG 3.47Å; R359-S362 PolarHBondContact O-N 2.99Å; S362-N364 PolarHBondContact O-N 3.31Å; S362-N364 VanDerWaalsContact O-N 3.09Å; S362-S365 PolarHBondContact O-N 3.42Å; S362-S365 PolarHBondContact O-OG 3.4Å
363	N	55.5	Low	58.3	Low	34 Å²	34	87.8 Å²	87.8	18%	0.182	48%	0.478	C	S	.	.	G	3₁₀ helix	trans	-69.8	-6	-176.5	-76.2	-18.1	0	0	0	114.6	R359 S365 Q520	R359-N363 PolarHBondContact O-N 2.94Å; R359-N363 VanDerWaalsContact O-N 3.16Å; R359-N363 PolarHBondContact O-ND2 3.23Å; N363-S365 PolarHBondContact O-N 3.04Å; N363-Q520 PolarHBondContact ND2-NE2 3.43Å
364	N	51.6	Low	55.4	Low	79 Å²	79	96 Å²	96	42%	0.422	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-76.3	-5.5	174.8	-81.1	6.2	0	0	0	113.4	S362 N366 Y393 Q394	S362-N364 PolarHBondContact O-N 3.31Å; S362-N364 VanDerWaalsContact O-N 3.09Å; N364-N366 PolarHBondContact O-N 2.88Å; N364-Y393 WeakPolarHBondContact OD1-CE2 3.18Å; N364-Q394 PolarHBondContact ND2-O 3.17Å; N364-Q394 VanDerWaalsContact ND2-O 3.13Å; N364-Q394 PolarHBondContact OD1-O 2.93Å
365	S	38.7	Very low	52.7	Low	91 Å²	91	100.8 Å²	100.8	64%	0.636	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-80.2	9.5	175.3	71.8	0	0	0	0	114.7	S362 N363 Q367	S362-S365 PolarHBondContact O-N 3.42Å; S362-S365 PolarHBondContact O-OG 3.4Å; N363-S365 PolarHBondContact O-N 3.04Å; S365-Q367 PolarHBondContact O-N 2.85Å; S365-Q367 VanDerWaalsContact O-N 3.13Å
366	N	37	Very low	49.7	Very low	132 Å²	132	104.8 Å²	104.8	71%	0.706	55%	0.548	S	S	*	.			trans	-79.3	19.2	179.5	-73.7	-7.1	0	0	0	114.6	N364	N364-N366 PolarHBondContact O-N 2.88Å
367	Q	30.7	Very low	46.9	Very low	152 Å²	152	111.8 Å²	111.8	71%	0.71	59%	0.586	S	S	*	*	S	Bend	trans	-105	116.7	150.6	-79.5	-170.5	-15.1	0	0	107.3	S365 L369	S365-Q367 PolarHBondContact O-N 2.85Å; S365-Q367 VanDerWaalsContact O-N 3.13Å; Q367-L369 PolarHBondContact O-N 3.11Å
368	P	24.4	Very low	44.4	Very low	128 Å²	128	116 Å²	116	83%	0.831	61%	0.608	S	S	*	*			trans	-68.3	78.9	163.8	29.6	-30.2	0	0	0	106.7	D370	P368-D370 VanDerWaalsContact C-N 3.28Å; P368-D370 PolarHBondContact O-N 2.91Å
369	L	28.2	Very low	41.8	Very low	142 Å²	142	119 Å²	119	74%	0.743	63%	0.63	S	S	*	*			trans	-79.1	93.9	162.4	-142.2	90.2	0	0	0	104.2	Q367 L371	Q367-L369 PolarHBondContact O-N 3.11Å; L369-L371 PolarHBondContact O-N 2.62Å
370	D	26.3	Very low	39.2	Very low	144 Å²	144	120.5 Å²	120.5	77%	0.77	64%	0.643	S	S	*	*			trans	-45.3	140.4	156.6	-88.9	-31.8	0	0	0	108.2	P368	P368-D370 VanDerWaalsContact C-N 3.28Å; P368-D370 PolarHBondContact O-N 2.91Å
371	L	28.3	Very low	36.4	Very low	147 Å²	147	123.8 Å²	123.8	77%	0.77	67%	0.665	S	S	*	*			trans	111.7	106.9	174.3	-57.9	160.6	0	0	0	114.4	L369	L369-L371 PolarHBondContact O-N 2.62Å
372	D	26.6	Very low	33.9	Very low	137 Å²	137	125.7 Å²	125.7	73%	0.733	68%	0.679	S	S	*	*			trans	79.5	90.7	140.6	-52.6	-23.2	0	0	0	116.8	K374	D372-K374 PolarHBondContact O-N 3.06Å
373	E	27.3	Very low	32	Very low	186 Å²	186	125.9 Å²	125.9	87%	0.869	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-27.8	105.1	138.1	-65.1	-178.1	156.8	0	0	111.2
374	K	28.2	Very low	31.1	Very low	193 Å²	193	127.7 Å²	127.7	84%	0.839	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	156.6	-0.9	143	-85.2	163.1	-175.1	174.8	0	116.4	D372 N376	D372-K374 PolarHBondContact O-N 3.06Å; K374-N376 PolarHBondContact O-N 3.49Å
375	K	27.5	Very low	31	Very low	189 Å²	189	128.1 Å²	128.1	82%	0.822	71%	0.705	S	S	*	*			trans	-96.8	67	172.4	-80.3	-178.3	179.7	171.6	0	112.6	N377	K375-N377 PolarHBondContact O-N 3.37Å
376	N	26.5	Very low	31.5	Very low	126 Å²	126	131 Å²	131	67%	0.674	70%	0.703	S	S	*	*			trans	-60.9	87.5	156.8	-78.4	-9.1	0	0	0	108.6	K374 L378	K374-N376 PolarHBondContact O-N 3.49Å; N376-L378 HydrophobicContact CB-CB 4.22Å; N376-L378 HydrophobicContact CB-CD1 3.7Å; N376-L378 PolarHBondContact O-N 3.47Å
377	N	29.2	Very low	32.4	Very low	151 Å²	151	130.5 Å²	130.5	81%	0.807	70%	0.696	S	S	*	*			trans	-71.3	38.7	159.3	-71.3	-15.9	0	0	0	110.4	K375 T379	K375-N377 PolarHBondContact O-N 3.37Å; N377-T379 PolarHBondContact O-N 3.39Å
378	L	34.7	Very low	34	Very low	99 Å²	99	125.5 Å²	125.5	52%	0.518	67%	0.674	S	S	.	*			trans	-83.9	90.3	175.7	-89.8	85.1	0	0	0	108.2	N376 I380	N376-L378 HydrophobicContact CB-CB 4.22Å; N376-L378 HydrophobicContact CB-CD1 3.7Å; N376-L378 PolarHBondContact O-N 3.47Å; L378-I380 HydrophobicContact CB-CB 4.41Å; L378-I380 HydrophobicContact CB-CD1 4.37Å; L378-I380 HydrophobicContact CB-CG1 3.9Å; L378-I380 HydrophobicContact CD2-CB 4.25Å; L378-I380 HydrophobicContact CD2-CD1 3.29Å; L378-I380 HydrophobicContact CD2-CG1 3.71Å; L378-I380 HydrophobicContact CG-CD1 3.69Å; L378-I380 HydrophobicContact CG-CG1 3.77Å; L378-I380 PolarHBondContact O-N 2.94Å
379	T	31.6	Very low	36.1	Very low	146 Å²	146	123.6 Å²	123.6	90%	0.896	65%	0.652	S	S	*	*			trans	-76.9	61.2	149.9	37.5	0	0	0	0	108.9	N377 S381	N377-T379 PolarHBondContact O-N 3.39Å; T379-S381 VanDerWaalsContact C-N 3.35Å; T379-S381 PolarHBondContact O-N 3.49Å
380	I	33.1	Very low	38.5	Very low	115 Å²	115	121.2 Å²	121.2	59%	0.59	64%	0.639	S	S	*	*			trans	-95.3	72.4	167.4	-53.6	-168.9	0	0	0	106.3	L378 S382	L378-I380 HydrophobicContact CB-CB 4.41Å; L378-I380 HydrophobicContact CB-CD1 4.37Å; L378-I380 HydrophobicContact CB-CG1 3.9Å; L378-I380 HydrophobicContact CD2-CB 4.25Å; L378-I380 HydrophobicContact CD2-CD1 3.29Å; L378-I380 HydrophobicContact CD2-CG1 3.71Å; L378-I380 HydrophobicContact CG-CD1 3.69Å; L378-I380 HydrophobicContact CG-CG1 3.77Å; L378-I380 PolarHBondContact O-N 2.94Å; I380-S382 PolarHBondContact O-N 3.32Å
381	S	26.4	Very low	41.2	Very low	69 Å²	69	115.5 Å²	115.5	48%	0.483	61%	0.612	S	S	.	*			trans	-82.6	97.2	175.2	-152	0	0	0	0	108.4	T379 S383 K389	T379-S381 VanDerWaalsContact C-N 3.35Å; T379-S381 PolarHBondContact O-N 3.49Å; S381-S383 PolarHBondContact O-N 2.91Å; S381-K389 WeakPolarHBondContact O-CE 2.99Å; S381-K389 PolarHBondContact O-NZ 2.9Å
382	S	28.1	Very low	43.9	Very low	106 Å²	106	113.7 Å²	113.7	74%	0.741	60%	0.602	S	S	*	*			trans	-76.1	46.1	-179.9	-60.3	0	0	0	0	112.9	I380	I380-S382 PolarHBondContact O-N 3.32Å
383	S	33.2	Very low	46.7	Very low	77 Å²	77	107.3 Å²	107.3	54%	0.538	57%	0.568	S	S	.	*			trans	-137.1	120.7	-172.1	-51.9	0	0	0	0	110.9	S381	S381-S383 PolarHBondContact O-N 2.91Å
384	S	35.6	Very low	49.6	Very low	73 Å²	73	103.7 Å²	103.7	51%	0.51	55%	0.551	S	S	.	*			trans	75.8	126.8	178.9	91.5	0	0	0	0	117.1	Y386	S384-Y386 PolarHBondContact O-N 2.98Å
385	S	49.4	Very low	52.3	Low	87 Å²	87	97.1 Å²	97.1	61%	0.608	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	0.6	-179.1	35.1	0	0	0	0	114.7
386	Y	49.4	Very low	55.2	Low	152 Å²	152	94.7 Å²	94.7	60%	0.596	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.1	-8.7	-162.3	-54.7	-69	0	0	0	115	S384 Y420	S384-Y386 PolarHBondContact O-N 2.98Å; Y386-Y420 WeakPolarHBondContact CB-OH 3.31Å
387	E	56.9	Low	58	Low	122 Å²	122	89.7 Å²	89.7	57%	0.57	48%	0.483	S	S	*	.	S	Bend	trans	-79.2	130.9	176.5	-75.3	-175.9	168.5	0	0	112	K389	E387-K389 PolarHBondContact O-N 3.48Å; E387-K389 VanDerWaalsContact O-N 3.12Å
388	I	63.5	Low	60.6	Low	46 Å²	46	87.6 Å²	87.6	24%	0.236	47%	0.472	C	S	.	.			trans	-70	106.7	171.9	-60.8	163.7	0	0	0	107.8	M407 T425 C426	I388-M407 HydrophobicContact CG2-CG 3.72Å; I388-M407 HydrophobicContact CG2-SD 3.6Å; I388-T425 HydrophobicContact CD1-CG2 4.02Å; I388-C426 WeakPolarHBondContact CD1-SG 3.46Å
389	K	69	Low	62.9	Low	89 Å²	89	89.4 Å²	89.4	39%	0.387	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.6	176.7	-69.2	177.5	179.1	174.7	0	110.7	S381 E387	S381-K389 WeakPolarHBondContact O-CE 2.99Å; S381-K389 PolarHBondContact O-NZ 2.9Å; E387-K389 PolarHBondContact O-N 3.48Å; E387-K389 VanDerWaalsContact O-N 3.12Å
390	I	76.9	Confident	65.4	Low	91 Å²	91	83.7 Å²	83.7	47%	0.467	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.5	172	-58.5	173.9	0	0	0	107.5	Q405 F406	I390-Q405 HydrophobicContact CG2-CB 4.02Å; I390-Q405 HydrophobicContact CG2-CG 4.47Å; I390-F406 CarbonylContact C-O 3.52Å; I390-F406 WeakPolarHBondContact CA-O 3.46Å
391	A	83.2	Confident	68	Low	25 Å²	25	79.6 Å²	79.6	21%	0.207	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	132.2	174.4	0	0	0	0	0	109.4	L357 F406	L357-A391 HydrophobicContact CD1-CB 4.4Å; L357-A391 HydrophobicContact CD2-CB 3.93Å; A391-F406 HydrophobicContact CB-CB 4.36Å; A391-F406 PolarHBondContact N-O 3.4Å; A391-F406 PolarHBondContact O-N 2.91Å
392	I	85.4	Confident	71	Confident	108 Å²	108	76.3 Å²	76.3	55%	0.554	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	126.4	178.6	-57.3	177.8	0	0	0	108.3	L403 I404	I392-L403 HydrophobicContact CG2-CD1 3.33Å; I392-L403 HydrophobicContact CG2-CG 4Å; I392-I404 CarbonylContact C-O 3.6Å; I392-I404 WeakPolarHBondContact CA-O 2.91Å
393	Y	86.6	Confident	73.8	Confident	3 Å²	3	73.4 Å²	73.4	1%	0.012	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.7	177.4	177	-109	0	0	0	109.7	L360 N364 R395 L403 I404 F406 I523	L360-Y393 HydrophobicContact CB-CD2 3.83Å; L360-Y393 HydrophobicContact CB-CE2 4.04Å; L360-Y393 HydrophobicContact CB-CG 4.4Å; L360-Y393 HydrophobicContact CD2-CE2 4.38Å; L360-Y393 WeakPolarHBondContact O-CD2 3.22Å; L360-Y393 WeakPolarHBondContact O-CE2 3.32Å; N364-Y393 WeakPolarHBondContact OD1-CE2 3.18Å; Y393-R395 HydrophobicContact CD1-CB 4.42Å; Y393-R395 HydrophobicContact CE1-CB 3.6Å; Y393-R395 HydrophobicContact CE1-CG 4.35Å; Y393-R395 WeakPolarHBondContact OH-CD 2.96Å; Y393-R395 PolarHBondContact OH-NH1 3.32Å; Y393-R395 VanDerWaalsContact OH-NH1 3.11Å; Y393-L403 CarbonylContact O-C 3.36Å; Y393-I404 HydrophobicContact CD1-CD1 3.74Å; Y393-I404 HydrophobicContact CD1-CG1 4.2Å; Y393-I404 HydrophobicContact CE1-CD1 4.34Å; Y393-I404 PolarHBondContact N-O 3.29Å; Y393-I404 PolarHBondContact O-N 2.71Å; Y393-F406 HydrophobicContact CD1-CE2 4.17Å; Y393-F406 HydrophobicContact CG-CE2 4.1Å; Y393-I523 HydrophobicContact CE1-CG2 4.06Å
394	Q	86.7	Confident	76.5	Confident	110 Å²	110	69.8 Å²	69.8	51%	0.514	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134.3	176.4	-171.5	179.2	8.6	0	0	109.9	N364 Y402 L403	N364-Q394 PolarHBondContact ND2-O 3.17Å; N364-Q394 VanDerWaalsContact ND2-O 3.13Å; N364-Q394 PolarHBondContact OD1-O 2.93Å; Q394-Y402 VanDerWaalsContact CA-O 3.32Å; Q394-Y402 WeakPolarHBondContact CA-O 3.12Å; Q394-L403 HydrophobicContact CB-CD1 4.2Å
395	R	86.5	Confident	79.1	Confident	56 Å²	56	68.6 Å²	68.6	21%	0.211	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	137.3	175	-170	176.3	-177	97.2	-17.1	111.4	Y393 Y402 D524 L527	Y393-R395 HydrophobicContact CD1-CB 4.42Å; Y393-R395 HydrophobicContact CE1-CB 3.6Å; Y393-R395 HydrophobicContact CE1-CG 4.35Å; Y393-R395 WeakPolarHBondContact OH-CD 2.96Å; Y393-R395 PolarHBondContact OH-NH1 3.32Å; Y393-R395 VanDerWaalsContact OH-NH1 3.11Å; R395-Y402 PolarHBondContact N-O 2.96Å; R395-Y402 WeakPolarHBondContact O-CB 3.44Å; R395-Y402 PolarHBondContact O-N 2.86Å; R395-D524 WeakPolarHBondContact CD-OD1 3.39Å; R395-D524 IonicContact CZ-OD1 3.4Å; R395-D524 IonicContact CZ-OD2 3.89Å; R395-D524 IonicContact NE-OD1 3.93Å; R395-D524 PolarHBondContact NE-OD1 3.26Å; R395-D524 IonicContact NE-OD2 2.96Å; R395-D524 IonicContact NH2-OD1 2.64Å; R395-D524 PolarHBondContact NH2-OD1 2.9Å; R395-D524 VanDerWaalsContact NH2-OD1 3.16Å; R395-D524 IonicContact NH2-OD2 3.96Å; R395-D524 PolarHBondContact NH2-OD2 3.39Å; R395-L527 HydrophobicContact CB-CD1 4.37Å
396	K	87.1	Confident	81	Confident	137 Å²	137	64.5 Å²	64.5	60%	0.596	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.9	171.5	-173.7	175.7	-179.8	-175.6	0	109.5	V400 N401	K396-V400 CarbonylContact C-O 3.51Å; K396-V400 WeakPolarHBondContact CA-O 3.33Å; K396-N401 WeakPolarHBondContact CB-OD1 3.48Å; K396-N401 VanDerWaalsContact CG-OD1 3.3Å; K396-N401 WeakPolarHBondContact CG-OD1 3.4Å
397	L	85.3	Confident	82.8	Confident	21 Å²	21	57.4 Å²	57.4	11%	0.11	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	135.2	179.2	-177.3	138.8	0	0	0	109.8	N399 V400 Y402 D524 R528	L397-N399 VanDerWaalsContact C-N 3.26Å; L397-N399 PolarHBondContact O-N 2.89Å; L397-V400 PolarHBondContact N-O 2.91Å; L397-V400 WeakPolarHBondContact O-CA 3.49Å; L397-V400 WeakPolarHBondContact O-CB 3.17Å; L397-V400 PolarHBondContact O-N 3.33Å; L397-V400 VanDerWaalsContact O-O 3.1Å; L397-Y402 HydrophobicContact CB-CD2 4.16Å; L397-Y402 HydrophobicContact CB-CE2 3.86Å; L397-Y402 HydrophobicContact CD2-CE2 4.21Å; L397-D524 HydrophobicContact CD1-CB 3.51Å; L397-D524 WeakPolarHBondContact CD1-OD1 3.35Å; L397-R528 HydrophobicContact CD2-CG 3.7Å
398	D	84.2	Confident	84	Confident	108 Å²	108	54 Å²	54	58%	0.578	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	42	-176.8	-55.1	-27.8	0	0	0	113.7	V400	D398-V400 PolarHBondContact O-N 2.85Å; D398-V400 VanDerWaalsContact O-N 3.11Å
399	N	82.1	Confident	84.7	Confident	137 Å²	137	52.3 Å²	52.3	73%	0.733	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	13.8	-173.4	-68.2	-25.1	0	0	0	115.7	L397	L397-N399 VanDerWaalsContact C-N 3.26Å; L397-N399 PolarHBondContact O-N 2.89Å
400	V	85	Confident	84.7	Confident	26 Å²	26	49.7 Å²	49.7	16%	0.158	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	134.3	173.5	-178.7	0	0	0	0	109.5	L339 K396 L397 D398 Y402	L339-V400 HydrophobicContact CD1-CG1 3.81Å; L339-V400 HydrophobicContact CG-CG1 3.99Å; K396-V400 CarbonylContact C-O 3.51Å; K396-V400 WeakPolarHBondContact CA-O 3.33Å; L397-V400 PolarHBondContact N-O 2.91Å; L397-V400 WeakPolarHBondContact O-CA 3.49Å; L397-V400 WeakPolarHBondContact O-CB 3.17Å; L397-V400 PolarHBondContact O-N 3.33Å; L397-V400 VanDerWaalsContact O-O 3.1Å; D398-V400 PolarHBondContact O-N 2.85Å; D398-V400 VanDerWaalsContact O-N 3.11Å; V400-Y402 HydrophobicContact CB-CD2 4.46Å; V400-Y402 HydrophobicContact CB-CE2 3.79Å; V400-Y402 HydrophobicContact CG1-CD2 4.31Å; V400-Y402 HydrophobicContact CG1-CE1 4.31Å; V400-Y402 HydrophobicContact CG1-CE2 3.86Å; V400-Y402 WeakPolarHBondContact O-CD2 3.4Å
401	N	87.3	Confident	84.2	Confident	28 Å²	28	48.7 Å²	48.7	15%	0.15	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	120.3	172.9	-68.2	-34.7	0	0	0	109.2	S336 S338 L339 K396	S336-N401 PolarHBondContact OG-ND2 2.67Å; S338-N401 CarbonylContact C-O 3.48Å; S338-N401 WeakPolarHBondContact CA-O 3.43Å; S338-N401 WeakPolarHBondContact OG-CB 3.45Å; L339-N401 PolarHBondContact N-O 3.33Å; K396-N401 WeakPolarHBondContact CB-OD1 3.48Å; K396-N401 VanDerWaalsContact CG-OD1 3.3Å; K396-N401 WeakPolarHBondContact CG-OD1 3.4Å
402	Y	89.2	Confident	83.5	Confident	1 Å²	1	48.5 Å²	48.5	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.3	175.7	-63.9	-90.4	0	0	0	110	L339 F341 Q394 R395 L397 V400 L527 K531	L339-Y402 HydrophobicContact CB-CD1 4.29Å; L339-Y402 HydrophobicContact CD1-CE1 4.08Å; L339-Y402 CarbonylContact O-C 3.52Å; L339-Y402 WeakPolarHBondContact O-CA 3.23Å; F341-Y402 HydrophobicContact CD2-CD1 4.02Å; F341-Y402 AromaticContact CE2-CD1 3.69Å; F341-Y402 HydrophobicContact CE2-CD1 3.69Å; F341-Y402 AromaticContact CE2-CE1 3.86Å; F341-Y402 HydrophobicContact CE2-CE1 3.86Å; Q394-Y402 VanDerWaalsContact CA-O 3.32Å; Q394-Y402 WeakPolarHBondContact CA-O 3.12Å; R395-Y402 PolarHBondContact N-O 2.96Å; R395-Y402 WeakPolarHBondContact O-CB 3.44Å; R395-Y402 PolarHBondContact O-N 2.86Å; L397-Y402 HydrophobicContact CB-CD2 4.16Å; L397-Y402 HydrophobicContact CB-CE2 3.86Å; L397-Y402 HydrophobicContact CD2-CE2 4.21Å; V400-Y402 HydrophobicContact CB-CD2 4.46Å; V400-Y402 HydrophobicContact CB-CE2 3.79Å; V400-Y402 HydrophobicContact CG1-CD2 4.31Å; V400-Y402 HydrophobicContact CG1-CE1 4.31Å; V400-Y402 HydrophobicContact CG1-CE2 3.86Å; V400-Y402 WeakPolarHBondContact O-CD2 3.4Å; Y402-L527 HydrophobicContact CD1-CB 4.32Å; Y402-L527 HydrophobicContact CD1-CD2 3.64Å; Y402-L527 HydrophobicContact CD1-CG 4.38Å; Y402-L527 HydrophobicContact CD2-CD1 4.13Å; Y402-L527 HydrophobicContact CE1-CB 4.25Å; Y402-L527 HydrophobicContact CE1-CD2 4.32Å; Y402-L527 HydrophobicContact CG-CD1 3.99Å; Y402-L527 HydrophobicContact CG-CD2 3.85Å; Y402-L527 HydrophobicContact CG-CG 4.35Å; Y402-K531 HydrophobicContact CE1-CB 4.21Å; Y402-K531 WeakPolarHBondContact OH-CD 3.29Å
403	L	88	Confident	82.5	Confident	45 Å²	45	47.6 Å²	47.6	24%	0.236	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	108.3	170.6	-171	70.3	0	0	0	108.8	L339 I340 F341 I392 Y393 Q394	L339-L403 PolarHBondContact O-N 3.39Å; I340-L403 CarbonylContact C-O 3.56Å; I340-L403 VanDerWaalsContact CA-O 3.26Å; I340-L403 WeakPolarHBondContact CA-O 3.5Å; I340-L403 HydrophobicContact CD1-CD2 4.2Å; I340-L403 HydrophobicContact CG1-CB 4.17Å; I340-L403 HydrophobicContact CG1-CD2 4.14Å; I340-L403 HydrophobicContact CG2-CD2 4.45Å; F341-L403 PolarHBondContact N-O 3.06Å; I392-L403 HydrophobicContact CG2-CD1 3.33Å; I392-L403 HydrophobicContact CG2-CG 4Å; Y393-L403 CarbonylContact O-C 3.36Å; Q394-L403 HydrophobicContact CB-CD1 4.2Å
404	I	90.1	Very high	81.2	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.2	-178.3	-45.1	179.8	0	0	0	109.2	F341 V343 I392 Y393 F406 I523 L527	F341-I404 WeakPolarHBondContact O-CA 3.35Å; V343-I404 HydrophobicContact CB-CG2 3.87Å; V343-I404 HydrophobicContact CG2-CG2 3.47Å; V343-I404 VanDerWaalsContact CG2-CG2 3.47Å; I392-I404 CarbonylContact C-O 3.6Å; I392-I404 WeakPolarHBondContact CA-O 2.91Å; Y393-I404 HydrophobicContact CD1-CD1 3.74Å; Y393-I404 HydrophobicContact CD1-CG1 4.2Å; Y393-I404 HydrophobicContact CE1-CD1 4.34Å; Y393-I404 PolarHBondContact N-O 3.29Å; Y393-I404 PolarHBondContact O-N 2.71Å; I404-F406 HydrophobicContact CB-CD2 4.36Å; I404-F406 HydrophobicContact CB-CE2 3.95Å; I404-F406 HydrophobicContact CB-CZ 4.25Å; I404-F406 HydrophobicContact CD1-CE2 4.22Å; I404-F406 HydrophobicContact CD1-CZ 3.98Å; I404-F406 HydrophobicContact CG2-CD1 4.18Å; I404-F406 HydrophobicContact CG2-CD2 4.01Å; I404-F406 HydrophobicContact CG2-CE1 3.9Å; I404-F406 HydrophobicContact CG2-CE2 3.72Å; I404-F406 HydrophobicContact CG2-CG 4.24Å; I404-F406 HydrophobicContact CG2-CZ 3.66Å; I404-I523 HydrophobicContact CD1-CG2 4.43Å; I404-L527 HydrophobicContact CD1-CD1 4.17Å; I404-L527 HydrophobicContact CD1-CD2 3.33Å; I404-L527 HydrophobicContact CD1-CG 3.95Å; I404-L527 HydrophobicContact CG1-CD2 3.76Å
405	Q	89.3	Confident	79.7	Confident	49 Å²	49	44.4 Å²	44.4	23%	0.229	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	101.1	168.7	-66.1	179.3	-2.2	0	0	108.5	F341 K342 V343 I390	F341-Q405 PolarHBondContact O-N 2.99Å; K342-Q405 HydrophobicContact CG-CB 4.48Å; V343-Q405 PolarHBondContact N-O 3.16Å; I390-Q405 HydrophobicContact CG2-CB 4.02Å; I390-Q405 HydrophobicContact CG2-CG 4.47Å
406	F	89.6	Confident	78.4	Confident	1 Å²	1	44.5 Å²	44.5	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	124.3	173	-68.7	-73.5	0	0	0	110.3	V343 L345 L357 L360 I390 A391 Y393 I404 I437 I523	V343-F406 HydrophobicContact CB-CD1 3.81Å; V343-F406 HydrophobicContact CB-CE1 3.93Å; V343-F406 HydrophobicContact CG1-CD1 3.74Å; V343-F406 HydrophobicContact CG1-CE1 3.66Å; V343-F406 CarbonylContact O-C 3.58Å; V343-F406 VanDerWaalsContact O-CA 3.31Å; V343-F406 WeakPolarHBondContact O-CA 3.43Å; L345-F406 HydrophobicContact CD1-CB 4.31Å; L345-F406 HydrophobicContact CD1-CD1 4.16Å; L345-F406 HydrophobicContact CD1-CG 4.46Å; L345-F406 HydrophobicContact CD2-CD1 3.7Å; L345-F406 HydrophobicContact CD2-CE1 4.04Å; L345-F406 HydrophobicContact CG-CB 4.46Å; L345-F406 HydrophobicContact CG-CD1 3.93Å; L357-F406 HydrophobicContact CD2-CB 3.61Å; L357-F406 HydrophobicContact CD2-CD2 4.08Å; L357-F406 HydrophobicContact CD2-CG 3.89Å; L360-F406 HydrophobicContact CD1-CE2 3.74Å; L360-F406 HydrophobicContact CD1-CZ 3.84Å; I390-F406 CarbonylContact C-O 3.52Å; I390-F406 WeakPolarHBondContact CA-O 3.46Å; A391-F406 HydrophobicContact CB-CB 4.36Å; A391-F406 PolarHBondContact N-O 3.4Å; A391-F406 PolarHBondContact O-N 2.91Å; Y393-F406 HydrophobicContact CD1-CE2 4.17Å; Y393-F406 HydrophobicContact CG-CE2 4.1Å; I404-F406 HydrophobicContact CB-CD2 4.36Å; I404-F406 HydrophobicContact CB-CE2 3.95Å; I404-F406 HydrophobicContact CB-CZ 4.25Å; I404-F406 HydrophobicContact CD1-CE2 4.22Å; I404-F406 HydrophobicContact CD1-CZ 3.98Å; I404-F406 HydrophobicContact CG2-CD1 4.18Å; I404-F406 HydrophobicContact CG2-CD2 4.01Å; I404-F406 HydrophobicContact CG2-CE1 3.9Å; I404-F406 HydrophobicContact CG2-CE2 3.72Å; I404-F406 HydrophobicContact CG2-CG 4.24Å; I404-F406 HydrophobicContact CG2-CZ 3.66Å; F406-I437 HydrophobicContact CE1-CD1 3.9Å; F406-I523 HydrophobicContact CZ-CD1 4.27Å
407	M	86.3	Confident	76.7	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.7	167	-171.4	-178.9	77.5	0	0	109.7	V343 L344 L345 I388 C426 F429	V343-M407 PolarHBondContact O-N 3.21Å; L344-M407 HydrophobicContact CD1-CB 4.08Å; L344-M407 HydrophobicContact CD1-CE 3.27Å; L344-M407 HydrophobicContact CD1-CG 4.37Å; L344-M407 WeakPolarHBondContact CD1-O 3.46Å; L345-M407 PolarHBondContact N-O 3.31Å; I388-M407 HydrophobicContact CG2-CG 3.72Å; I388-M407 HydrophobicContact CG2-SD 3.6Å; M407-C426 HydrophobicContact CE-CB 4.07Å; M407-F429 HydrophobicContact CB-CD1 3.73Å; M407-F429 HydrophobicContact CB-CD2 4.26Å; M407-F429 HydrophobicContact CB-CE1 3.39Å; M407-F429 HydrophobicContact CB-CE2 3.97Å; M407-F429 HydrophobicContact CB-CG 4.16Å; M407-F429 HydrophobicContact CB-CZ 3.52Å; M407-F429 HydrophobicContact CE-CB 3.58Å; M407-F429 HydrophobicContact CE-CD1 3.59Å; M407-F429 HydrophobicContact CE-CE1 4.46Å; M407-F429 HydrophobicContact CE-CG 3.68Å; M407-F429 HydrophobicContact CG-CD1 4.33Å; M407-F429 HydrophobicContact CG-CE1 4.43Å; M407-F429 HydrophobicContact CG-CG 4.4Å; M407-F429 HydrophobicContact SD-CB 3.56Å; M407-F429 VanDerWaalsContact SD-CB 3.56Å; M407-F429 HydrophobicContact SD-CD1 3.75Å; M407-F429 HydrophobicContact SD-CD2 3.77Å; M407-F429 HydrophobicContact SD-CE1 4.39Å; M407-F429 HydrophobicContact SD-CE2 4.41Å; M407-F429 HydrophobicContact SD-CG 3.4Å; M407-F429 WeakPolarHBondContact SD-CG 3.23Å
408	K	83.7	Confident	75.3	Confident	50 Å²	50	48.2 Å²	48.2	22%	0.217	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	107.3	170.9	-175.8	-172.5	72.5	71.9	0	109.1	K353 L357	K353-K408 HydrophobicContact CB-CD 4.06Å; K353-K408 HydrophobicContact CB-CG 4.45Å; K353-K408 HydrophobicContact CD-CG 4.48Å; L357-K408 HydrophobicContact CD1-CB 4.23Å; L357-K408 HydrophobicContact CD1-CD 4.41Å
409	P	77.2	Confident	73.7	Confident	11 Å²	11	50.4 Å²	50.4	7%	0.071	27%	0.265	C	S	.	.			trans	-68.2	154.6	172.9	29.8	-29.2	0	0	0	110.3	L344 L345 F414	L344-P409 HydrophobicContact CD1-CG 4.16Å; L345-P409 WeakPolarHBondContact O-CD 3.27Å; P409-F414 HydrophobicContact CB-CB 4.33Å
410	P	68	Low	72.2	Confident	35 Å²	35	47.9 Å²	47.9	23%	0.227	25%	0.245	C	C	.	.	S	Bend	trans	-67.7	-40.2	-175.9	-17.8	29.9	0	0	0	113.7	F414	P410-F414 HydrophobicContact CB-CD2 4.17Å; P410-F414 HydrophobicContact CB-CE2 3.48Å; P410-F414 VanDerWaalsContact CB-CE2 3.48Å; P410-F414 HydrophobicContact CB-CZ 3.69Å; P410-F414 HydrophobicContact CG-CD2 4.29Å; P410-F414 HydrophobicContact CG-CE1 3.91Å; P410-F414 HydrophobicContact CG-CE2 3.73Å; P410-F414 HydrophobicContact CG-CZ 3.49Å; P410-F414 VanDerWaalsContact CG-CZ 3.49Å
411	T	67.6	Low	70.5	Confident	70 Å²	70	54.4 Å²	54.4	43%	0.429	28%	0.278	S	S	.	.	S	Bend	trans	-132.9	165.1	173.1	75.5	0	0	0	0	111.4	F414	T411-F414 HydrophobicContact CG2-CD2 4.3Å; T411-F414 HydrophobicContact CG2-CE2 3.94Å; T411-F414 VanDerWaalsContact N-CE2 3.34Å; T411-F414 WeakPolarHBondContact O-CB 3.43Å; T411-F414 WeakPolarHBondContact O-CD2 3.45Å; T411-F414 WeakPolarHBondContact OG1-CD2 3.43Å; T411-F414 WeakPolarHBondContact OG1-CE2 3.45Å
412	I	67.8	Low	68.8	Low	20 Å²	20	53.5 Å²	53.5	10%	0.103	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-69.7	-35.2	179.9	-165.7	162	0	0	0	112.1	I346 F414 L451 Y454	I346-I412 HydrophobicContact CG2-CD1 3.92Å; I346-I412 HydrophobicContact CG2-CG1 3.7Å; I412-F414 PolarHBondContact O-N 3.07Å; I412-L451 HydrophobicContact CD1-CD2 3.85Å; I412-Y454 HydrophobicContact CD1-CG 4.23Å; I412-Y454 HydrophobicContact CG1-CD2 3.84Å; I412-Y454 HydrophobicContact CG1-CG 3.97Å
413	D	64	Low	67.4	Low	90 Å²	90	54.4 Å²	54.4	48%	0.481	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-75.3	0.9	-179.8	-61.6	-44.5	0	0	0	113.5	L415 N416 L417	D413-L415 PolarHBondContact O-N 3.38Å; D413-L415 VanDerWaalsContact O-N 3.07Å; D413-N416 PolarHBondContact O-N 2.67Å; D413-L417 PolarHBondContact O-N 3.14Å
414	F	60.7	Low	66.3	Low	16 Å²	16	60 Å²	60	7%	0.07	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-58.5	-24.6	-178.8	-102.9	-96.8	0	0	0	114.2	P409 P410 T411 I412 Y420 H423	P409-F414 HydrophobicContact CB-CB 4.33Å; P410-F414 HydrophobicContact CB-CD2 4.17Å; P410-F414 HydrophobicContact CB-CE2 3.48Å; P410-F414 VanDerWaalsContact CB-CE2 3.48Å; P410-F414 HydrophobicContact CB-CZ 3.69Å; P410-F414 HydrophobicContact CG-CD2 4.29Å; P410-F414 HydrophobicContact CG-CE1 3.91Å; P410-F414 HydrophobicContact CG-CE2 3.73Å; P410-F414 HydrophobicContact CG-CZ 3.49Å; P410-F414 VanDerWaalsContact CG-CZ 3.49Å; T411-F414 HydrophobicContact CG2-CD2 4.3Å; T411-F414 HydrophobicContact CG2-CE2 3.94Å; T411-F414 VanDerWaalsContact N-CE2 3.34Å; T411-F414 WeakPolarHBondContact O-CB 3.43Å; T411-F414 WeakPolarHBondContact O-CD2 3.45Å; T411-F414 WeakPolarHBondContact OG1-CD2 3.43Å; T411-F414 WeakPolarHBondContact OG1-CE2 3.45Å; I412-F414 PolarHBondContact O-N 3.07Å; F414-Y420 HydrophobicContact CD1-CD1 4.26Å; F414-Y420 AromaticContact CE1-CD1 3.42Å; F414-Y420 HydrophobicContact CE1-CD1 3.42Å; F414-Y420 VanDerWaalsContact CE1-CD1 3.42Å; F414-Y420 AromaticContact CE1-CE1 3.67Å; F414-Y420 HydrophobicContact CE1-CE1 3.67Å; F414-Y420 HydrophobicContact CE1-CG 4.01Å; F414-Y420 HydrophobicContact CZ-CD1 4.23Å; F414-Y420 HydrophobicContact CZ-CE1 4.23Å; F414-H423 PolarHBondContact O-CD2 3.01Å
415	L	55.5	Low	64.9	Low	30 Å²	30	63.7 Å²	63.7	16%	0.157	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-77.6	-25.8	175.3	-62.6	-167.5	0	0	0	112.7	D413 H423 Y430 Y454 T458	D413-L415 PolarHBondContact O-N 3.38Å; D413-L415 VanDerWaalsContact O-N 3.07Å; L415-H423 PolarHBondContact O-NE2 3.44Å; L415-Y430 HydrophobicContact CD1-CD1 4.23Å; L415-Y430 HydrophobicContact CD1-CD2 3.41Å; L415-Y430 VanDerWaalsContact CD1-CD2 3.41Å; L415-Y430 HydrophobicContact CD1-CE1 4.46Å; L415-Y430 HydrophobicContact CD1-CE2 3.71Å; L415-Y430 HydrophobicContact CD1-CG 3.71Å; L415-Y430 HydrophobicContact CD2-CG 4.42Å; L415-Y454 HydrophobicContact CB-CE2 4.37Å; L415-Y454 HydrophobicContact CD1-CE2 3.72Å; L415-Y454 WeakPolarHBondContact CD1-OH 3.28Å; L415-Y454 HydrophobicContact CG-CE2 4.16Å; L415-T458 HydrophobicContact CD1-CG2 4.26Å
416	N	57.5	Low	63.8	Low	57 Å²	57	61.4 Å²	61.4	31%	0.305	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-18	-178.2	-63.3	-20.1	0	0	0	112.7	D413 H418	D413-N416 PolarHBondContact O-N 2.67Å; N416-H418 PolarHBondContact O-CD2 3.34Å; N416-H418 PolarHBondContact O-N 2.77Å
417	L	52.4	Low	62.9	Low	87 Å²	87	66.4 Å²	66.4	46%	0.455	33%	0.333	S	S	.	.			trans	-82.6	101.7	-177.6	-168.9	65.6	0	0	0	111.8	D413 D419 H423	D413-L417 PolarHBondContact O-N 3.14Å; L417-D419 VanDerWaalsContact C-N 3.27Å; L417-D419 PolarHBondContact O-N 3.22Å; L417-H423 PolarHBondContact O-CD2 2.99Å
418	H	55.3	Low	62.1	Low	150 Å²	150	68.8 Å²	68.8	69%	0.694	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.5	-175.5	-78	-87.5	0	0	0	115.3	N416	N416-H418 PolarHBondContact O-CD2 3.34Å; N416-H418 PolarHBondContact O-N 2.77Å
419	D	52.1	Low	61.6	Low	154 Å²	154	67.3 Å²	67.3	82%	0.824	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	4.1	-164.3	-65.1	-28.2	0	0	0	115.3	L417	L417-D419 VanDerWaalsContact C-N 3.27Å; L417-D419 PolarHBondContact O-N 3.22Å
420	Y	49.4	Very low	61.6	Low	83 Å²	83	67.7 Å²	67.7	33%	0.325	34%	0.341	S	S	.	.			trans	-101.2	134	-174.4	-162.1	-101.7	0	0	0	113.1	Y386 F414 G422 H423	Y386-Y420 WeakPolarHBondContact CB-OH 3.31Å; F414-Y420 HydrophobicContact CD1-CD1 4.26Å; F414-Y420 AromaticContact CE1-CD1 3.42Å; F414-Y420 HydrophobicContact CE1-CD1 3.42Å; F414-Y420 VanDerWaalsContact CE1-CD1 3.42Å; F414-Y420 AromaticContact CE1-CE1 3.67Å; F414-Y420 HydrophobicContact CE1-CE1 3.67Å; F414-Y420 HydrophobicContact CE1-CG 4.01Å; F414-Y420 HydrophobicContact CZ-CD1 4.23Å; F414-Y420 HydrophobicContact CZ-CE1 4.23Å; Y420-G422 VanDerWaalsContact CD1-CA 3.48Å; Y420-G422 PolarHBondContact O-N 2.9Å; Y420-G422 VanDerWaalsContact O-N 3.17Å; Y420-H423 WeakPolarHBondContact O-CA 3.19Å; Y420-H423 WeakPolarHBondContact O-CB 3.48Å; Y420-H423 PolarHBondContact O-N 3.43Å
421	I	50.1	Low	61.9	Low	164 Å²	164	70.5 Å²	70.5	84%	0.841	35%	0.351	S	S	*	.	H	α-helix	trans	-55.4	-36.6	177.2	-66.5	169.1	0	0	0	111.7	H423	I421-H423 PolarHBondContact O-N 2.96Å
422	G	51.3	Low	62.4	Low	9 Å²	9	73.5 Å²	73.5	9%	0.093	36%	0.358	C	S	.	.	H	α-helix	trans	-69.3	-13.6	174.6	0	0	0	0	0	114.8	Y420 K424 T425 C426	Y420-G422 VanDerWaalsContact CD1-CA 3.48Å; Y420-G422 PolarHBondContact O-N 2.9Å; Y420-G422 VanDerWaalsContact O-N 3.17Å; G422-K424 PolarHBondContact O-N 2.99Å; G422-T425 PolarHBondContact O-N 3.46Å; G422-C426 WeakPolarHBondContact O-CB 3.43Å; G422-C426 PolarHBondContact O-N 3.4Å
423	H	58.7	Low	63.3	Low	19 Å²	19	73.1 Å²	73.1	9%	0.088	36%	0.357	C	S	.	.	H	α-helix	trans	-58.4	-49.6	179.1	-179.1	-92.1	0	0	0	111.3	F414 L415 L417 Y420 I421 T425 C426 R427	F414-H423 PolarHBondContact O-CD2 3.01Å; L415-H423 PolarHBondContact O-NE2 3.44Å; L417-H423 PolarHBondContact O-CD2 2.99Å; Y420-H423 WeakPolarHBondContact O-CA 3.19Å; Y420-H423 WeakPolarHBondContact O-CB 3.48Å; Y420-H423 PolarHBondContact O-N 3.43Å; I421-H423 PolarHBondContact O-N 2.96Å; H423-T425 VanDerWaalsContact C-N 3.3Å; H423-T425 PolarHBondContact O-N 3.29Å; H423-C426 PolarHBondContact O-N 3.47Å; H423-R427 WeakPolarHBondContact O-CB 3.4Å; H423-R427 PolarHBondContact O-N 2.72Å
424	K	65	Low	64.5	Low	162 Å²	162	71.7 Å²	71.7	70%	0.704	35%	0.35	S	S	*	.	H	α-helix	trans	-61.5	-40.4	-179.2	-168.6	175.1	-178.7	177.9	0	111.4	G422 T428	G422-K424 PolarHBondContact O-N 2.99Å; K424-T428 WeakPolarHBondContact O-CB 3.22Å; K424-T428 WeakPolarHBondContact O-CG2 3.41Å; K424-T428 PolarHBondContact O-N 2.89Å; K424-T428 PolarHBondContact O-OG1 2.82Å
425	T	61.8	Low	65.9	Low	79 Å²	79	71 Å²	71	49%	0.485	35%	0.346	S	S	.	.	H	α-helix	trans	-68.7	-45.4	177.8	-53.4	0	0	0	0	111.7	I388 G422 H423 T428 F429	I388-T425 HydrophobicContact CD1-CG2 4.02Å; G422-T425 PolarHBondContact O-N 3.46Å; H423-T425 VanDerWaalsContact C-N 3.3Å; H423-T425 PolarHBondContact O-N 3.29Å; T425-T428 WeakPolarHBondContact CA-OG1 3.49Å; T425-T428 PolarHBondContact O-OG1 2.89Å; T425-F429 WeakPolarHBondContact O-CB 3.21Å; T425-F429 PolarHBondContact O-N 2.82Å
426	C	65.8	Low	67.6	Low	0 Å²	0	69.5 Å²	69.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-68.5	-41.7	178.6	-74.5	0	0	0	0	112.6	I388 M407 G422 H423 F429 Y430	I388-C426 WeakPolarHBondContact CD1-SG 3.46Å; M407-C426 HydrophobicContact CE-CB 4.07Å; G422-C426 WeakPolarHBondContact O-CB 3.43Å; G422-C426 PolarHBondContact O-N 3.4Å; H423-C426 PolarHBondContact O-N 3.47Å; C426-F429 CarbonylContact O-C 3.55Å; C426-F429 WeakPolarHBondContact O-CB 3.37Å; C426-F429 PolarHBondContact O-N 3.33Å; C426-Y430 WeakPolarHBondContact O-CB 3.29Å; C426-Y430 PolarHBondContact O-N 3.37Å
427	R	70	Confident	69.3	Low	107 Å²	107	66.8 Å²	66.8	40%	0.404	32%	0.324	S	S	.	.	H	α-helix	trans	-62.3	-45.3	175.9	179.7	172.8	177.5	162.6	9.2	111.2	H423 F429 Y430 E431	H423-R427 WeakPolarHBondContact O-CB 3.4Å; H423-R427 PolarHBondContact O-N 2.72Å; R427-F429 VanDerWaalsContact C-N 3.27Å; R427-F429 PolarHBondContact O-N 3.47Å; R427-Y430 WeakPolarHBondContact O-CB 3.43Å; R427-Y430 PolarHBondContact O-N 3.04Å; R427-E431 HydrophobicContact CG-CG 4.43Å; R427-E431 VanDerWaalsContact CG-OE1 3.3Å; R427-E431 WeakPolarHBondContact CG-OE1 3.38Å; R427-E431 IonicContact CZ-OE1 2.67Å; R427-E431 IonicContact NE-OE1 3.54Å; R427-E431 PolarHBondContact NE-OE1 3.13Å; R427-E431 IonicContact NH2-OE1 2.76Å; R427-E431 WeakPolarHBondContact O-CB 3.46Å; R427-E431 VanDerWaalsContact O-CG 3.29Å; R427-E431 WeakPolarHBondContact O-CG 3.44Å; R427-E431 PolarHBondContact O-N 3.46Å
428	T	71.3	Confident	71.3	Confident	51 Å²	51	62.7 Å²	62.7	31%	0.313	30%	0.303	S	S	.	.	H	α-helix	trans	-66.7	-29.8	175	53.9	0	0	0	0	112.7	K424 T425 K432	K424-T428 WeakPolarHBondContact O-CB 3.22Å; K424-T428 WeakPolarHBondContact O-CG2 3.41Å; K424-T428 PolarHBondContact O-N 2.89Å; K424-T428 PolarHBondContact O-OG1 2.82Å; T425-T428 WeakPolarHBondContact CA-OG1 3.49Å; T425-T428 PolarHBondContact O-OG1 2.89Å; T428-K432 VanDerWaalsContact O-CB 3.26Å; T428-K432 WeakPolarHBondContact O-CB 3.17Å; T428-K432 WeakPolarHBondContact O-CD 3.48Å; T428-K432 WeakPolarHBondContact O-CG 3.26Å; T428-K432 PolarHBondContact O-N 2.98Å
429	F	73.3	Confident	73.1	Confident	20 Å²	20	55.6 Å²	55.6	9%	0.088	27%	0.27	C	S	.	.	H	α-helix	trans	-70.4	-42	171.3	-164.7	-79.2	0	0	0	111.5	K342 L344 M407 T425 C426 R427 K432 S433	K342-F429 HydrophobicContact CB-CE1 4.21Å; K342-F429 HydrophobicContact CB-CE2 4.44Å; K342-F429 HydrophobicContact CB-CZ 3.87Å; K342-F429 HydrophobicContact CD-CE2 4.28Å; K342-F429 HydrophobicContact CG-CE2 4.4Å; K342-F429 HydrophobicContact CG-CZ 4.24Å; L344-F429 HydrophobicContact CD1-CD1 4.45Å; M407-F429 HydrophobicContact CB-CD1 3.73Å; M407-F429 HydrophobicContact CB-CD2 4.26Å; M407-F429 HydrophobicContact CB-CE1 3.39Å; M407-F429 HydrophobicContact CB-CE2 3.97Å; M407-F429 HydrophobicContact CB-CG 4.16Å; M407-F429 HydrophobicContact CB-CZ 3.52Å; M407-F429 HydrophobicContact CE-CB 3.58Å; M407-F429 HydrophobicContact CE-CD1 3.59Å; M407-F429 HydrophobicContact CE-CE1 4.46Å; M407-F429 HydrophobicContact CE-CG 3.68Å; M407-F429 HydrophobicContact CG-CD1 4.33Å; M407-F429 HydrophobicContact CG-CE1 4.43Å; M407-F429 HydrophobicContact CG-CG 4.4Å; M407-F429 HydrophobicContact SD-CB 3.56Å; M407-F429 VanDerWaalsContact SD-CB 3.56Å; M407-F429 HydrophobicContact SD-CD1 3.75Å; M407-F429 HydrophobicContact SD-CD2 3.77Å; M407-F429 HydrophobicContact SD-CE1 4.39Å; M407-F429 HydrophobicContact SD-CE2 4.41Å; M407-F429 HydrophobicContact SD-CG 3.4Å; M407-F429 WeakPolarHBondContact SD-CG 3.23Å; T425-F429 WeakPolarHBondContact O-CB 3.21Å; T425-F429 PolarHBondContact O-N 2.82Å; C426-F429 CarbonylContact O-C 3.55Å; C426-F429 WeakPolarHBondContact O-CB 3.37Å; C426-F429 PolarHBondContact O-N 3.33Å; R427-F429 VanDerWaalsContact C-N 3.27Å; R427-F429 PolarHBondContact O-N 3.47Å; F429-K432 CarbonylContact O-C 3.59Å; F429-K432 PolarHBondContact O-N 3.43Å; F429-S433 WeakPolarHBondContact O-CA 3.3Å; F429-S433 WeakPolarHBondContact O-CB 3.32Å; F429-S433 PolarHBondContact O-N 3.46Å
430	Y	75.5	Confident	75.2	Confident	18 Å²	18	48.2 Å²	48.2	7%	0.071	23%	0.231	C	C	.	.	H	α-helix	trans	-59.2	-51.6	174.9	177.5	-94.4	0	0	0	111.3	L344 L415 C426 R427 K432 S433 I436 Y454 Q462 L465	L344-Y430 HydrophobicContact CD2-CD2 3.57Å; L344-Y430 HydrophobicContact CD2-CE2 4.45Å; L344-Y430 HydrophobicContact CD2-CG 4.4Å; L415-Y430 HydrophobicContact CD1-CD1 4.23Å; L415-Y430 HydrophobicContact CD1-CD2 3.41Å; L415-Y430 VanDerWaalsContact CD1-CD2 3.41Å; L415-Y430 HydrophobicContact CD1-CE1 4.46Å; L415-Y430 HydrophobicContact CD1-CE2 3.71Å; L415-Y430 HydrophobicContact CD1-CG 3.71Å; L415-Y430 HydrophobicContact CD2-CG 4.42Å; C426-Y430 WeakPolarHBondContact O-CB 3.29Å; C426-Y430 PolarHBondContact O-N 3.37Å; R427-Y430 WeakPolarHBondContact O-CB 3.43Å; R427-Y430 PolarHBondContact O-N 3.04Å; Y430-K432 PolarHBondContact O-N 3.09Å; Y430-K432 VanDerWaalsContact O-N 3.16Å; Y430-S433 WeakPolarHBondContact O-CB 3.45Å; Y430-S433 PolarHBondContact O-N 3.28Å; Y430-S433 PolarHBondContact O-OG 3.32Å; Y430-I436 HydrophobicContact CD2-CD1 4.01Å; Y430-I436 HydrophobicContact CE2-CD1 3.4Å; Y430-I436 VanDerWaalsContact CE2-CD1 3.4Å; Y430-Y454 WeakPolarHBondContact CE2-OH 3.41Å; Y430-Q462 PolarHBondContact OH-NE2 2.96Å; Y430-L465 HydrophobicContact CE1-CD1 4.18Å
431	E	75	Confident	77.2	Confident	94 Å²	94	45.1 Å²	45.1	44%	0.439	22%	0.22	S	C	.	.	H	α-helix	trans	-60.9	-25.1	177.9	-71.3	168.3	-176.4	0	0	113	R427 L465	R427-E431 HydrophobicContact CG-CG 4.43Å; R427-E431 VanDerWaalsContact CG-OE1 3.3Å; R427-E431 WeakPolarHBondContact CG-OE1 3.38Å; R427-E431 IonicContact CZ-OE1 2.67Å; R427-E431 IonicContact NE-OE1 3.54Å; R427-E431 PolarHBondContact NE-OE1 3.13Å; R427-E431 IonicContact NH2-OE1 2.76Å; R427-E431 WeakPolarHBondContact O-CB 3.46Å; R427-E431 VanDerWaalsContact O-CG 3.29Å; R427-E431 WeakPolarHBondContact O-CG 3.44Å; R427-E431 PolarHBondContact O-N 3.46Å; E431-L465 HydrophobicContact CB-CD2 4.29Å; E431-L465 HydrophobicContact CG-CD2 3.97Å
432	K	78.6	Confident	79.2	Confident	134 Å²	134	37.4 Å²	37.4	58%	0.583	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.2	7.3	178.6	-64.8	176.5	-177.2	178.1	0	113.3	T428 F429 Y430	T428-K432 VanDerWaalsContact O-CB 3.26Å; T428-K432 WeakPolarHBondContact O-CB 3.17Å; T428-K432 WeakPolarHBondContact O-CD 3.48Å; T428-K432 WeakPolarHBondContact O-CG 3.26Å; T428-K432 PolarHBondContact O-N 2.98Å; F429-K432 CarbonylContact O-C 3.59Å; F429-K432 PolarHBondContact O-N 3.43Å; Y430-K432 PolarHBondContact O-N 3.09Å; Y430-K432 VanDerWaalsContact O-N 3.16Å
433	S	85.2	Confident	81	Confident	11 Å²	11	39 Å²	39	8%	0.077	18%	0.183	C	C	.	.			trans	-76.5	132.2	-179.3	63.8	0	0	0	0	109.6	F429 Y430 G435	F429-S433 WeakPolarHBondContact O-CA 3.3Å; F429-S433 WeakPolarHBondContact O-CB 3.32Å; F429-S433 PolarHBondContact O-N 3.46Å; Y430-S433 WeakPolarHBondContact O-CB 3.45Å; Y430-S433 PolarHBondContact O-N 3.28Å; Y430-S433 PolarHBondContact O-OG 3.32Å; S433-G435 VanDerWaalsContact C-N 3.35Å
434	D	89.5	Confident	82.5	Confident	61 Å²	61	39.3 Å²	39.3	33%	0.326	19%	0.187	S	C	.	.	S	Bend	trans	-79.4	-28.5	175	-56.2	-68.2	0	0	0	110.4	F341 K342 I470 L530	F341-D434 WeakPolarHBondContact CA-OD2 3.36Å; F341-D434 HydrophobicContact CB-CB 4.49Å; F341-D434 HydrophobicContact CD1-CB 3.88Å; K342-D434 PolarHBondContact N-OD2 2.94Å; K342-D434 PolarHBondContact O-N 3.4Å; D434-I470 PolarHBondContact O-N 3.06Å; D434-L530 HydrophobicContact CB-CD2 3.9Å; D434-L530 WeakPolarHBondContact O-CD2 3.14Å
435	G	90.8	Very high	83.7	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	154.8	177.2	0	0	0	0	0	113.8	K342 V343 L344 S433 I470	K342-G435 PolarHBondContact O-N 3.04Å; V343-G435 VanDerWaalsContact CA-O 3.27Å; V343-G435 WeakPolarHBondContact CA-O 3.4Å; L344-G435 PolarHBondContact N-O 2.77Å; S433-G435 VanDerWaalsContact C-N 3.35Å; G435-I470 CarbonylContact C-O 3.52Å; G435-I470 VanDerWaalsContact CA-O 3.23Å; G435-I470 WeakPolarHBondContact CA-O 3.5Å
436	I	90.8	Very high	85	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126.9	179.2	-61.4	171.3	0	0	0	107.9	L344 I346 Y430 L438 P469 I470 Y471 M472	L344-I436 HydrophobicContact CB-CG1 4.31Å; I346-I436 HydrophobicContact CD1-CG2 3.85Å; I346-I436 HydrophobicContact CG1-CG2 4.2Å; Y430-I436 HydrophobicContact CD2-CD1 4.01Å; Y430-I436 HydrophobicContact CE2-CD1 3.4Å; Y430-I436 VanDerWaalsContact CE2-CD1 3.4Å; I436-L438 HydrophobicContact CG2-CD2 3.69Å; I436-L438 HydrophobicContact CG2-CG 4.33Å; I436-P469 HydrophobicContact CD1-CB 4.02Å; I436-P469 HydrophobicContact CD1-CG 3.53Å; I436-P469 HydrophobicContact CG1-CB 4.09Å; I436-P469 HydrophobicContact CG1-CG 4.15Å; I436-I470 PolarHBondContact N-O 3.23Å; I436-Y471 HydrophobicContact CB-CD1 3.9Å; I436-Y471 HydrophobicContact CB-CE1 3.89Å; I436-Y471 HydrophobicContact CD1-CD1 4.48Å; I436-Y471 HydrophobicContact CD1-CE1 3.64Å; I436-Y471 HydrophobicContact CG1-CE1 4.33Å; I436-Y471 HydrophobicContact CG2-CD1 4.15Å; I436-Y471 HydrophobicContact CG2-CE1 4.07Å; I436-Y471 WeakPolarHBondContact O-CA 3.35Å; I436-M472 PolarHBondContact O-N 3.32Å
437	I	93.8	Very high	86.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	117.5	174.8	-54.7	-178.8	0	0	0	108.1	V343 L344 L345 I346 F406 I439 M472 L474 I523 F526	V343-I437 HydrophobicContact CG1-CD1 3.75Å; V343-I437 HydrophobicContact CG1-CG1 3.71Å; L344-I437 PolarHBondContact O-N 3.25Å; L345-I437 HydrophobicContact CD2-CB 3.71Å; L345-I437 HydrophobicContact CD2-CD1 3.86Å; L345-I437 HydrophobicContact CD2-CG1 4.15Å; L345-I437 HydrophobicContact CD2-CG2 4.25Å; I346-I437 PolarHBondContact N-O 3.29Å; F406-I437 HydrophobicContact CE1-CD1 3.9Å; I437-I439 HydrophobicContact CG2-CD1 4.35Å; I437-I439 HydrophobicContact CG2-CG1 3.9Å; I437-M472 CarbonylContact C-O 3.58Å; I437-M472 VanDerWaalsContact CA-O 3.29Å; I437-M472 WeakPolarHBondContact CA-O 3.46Å; I437-M472 HydrophobicContact CD1-CE 3.58Å; I437-M472 HydrophobicContact CG1-CB 4.46Å; I437-M472 HydrophobicContact CG1-CE 3.91Å; I437-M472 HydrophobicContact CG2-CE 4.18Å; I437-L474 HydrophobicContact CG2-CD1 3.43Å; I437-L474 VanDerWaalsContact CG2-CD1 3.43Å; I437-L474 HydrophobicContact CG2-CG 3.73Å; I437-I523 HydrophobicContact CD1-CD1 4.36Å; I437-F526 HydrophobicContact CD1-CD1 4.13Å; I437-F526 HydrophobicContact CD1-CE1 3.87Å; I437-F526 HydrophobicContact CD1-CZ 4.28Å; I437-F526 HydrophobicContact CG1-CD1 4.49Å; I437-F526 HydrophobicContact CG1-CE1 3.91Å; I437-F526 HydrophobicContact CG1-CE2 4.32Å; I437-F526 HydrophobicContact CG1-CZ 3.8Å
438	L	93.2	Very high	87.2	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	122.6	175.5	-54	-178.1	0	0	0	108.5	I346 I436 L451 Y454 Y471 M472 V473 L474 F500 L504	I346-L438 HydrophobicContact CB-CD2 3.77Å; I346-L438 HydrophobicContact CD1-CD2 4.21Å; I346-L438 HydrophobicContact CG1-CD2 4.33Å; I346-L438 HydrophobicContact CG2-CD2 4.24Å; I346-L438 CarbonylContact O-C 3.57Å; I346-L438 WeakPolarHBondContact O-CA 3.3Å; I436-L438 HydrophobicContact CG2-CD2 3.69Å; I436-L438 HydrophobicContact CG2-CG 4.33Å; L438-L451 HydrophobicContact CB-CD1 3.99Å; L438-L451 HydrophobicContact CB-CD2 4.15Å; L438-L451 HydrophobicContact CD2-CD2 4.31Å; L438-Y454 HydrophobicContact CD2-CE1 4.39Å; L438-Y471 HydrophobicContact CD1-CD1 4.47Å; L438-M472 PolarHBondContact N-O 3.46Å; L438-V473 HydrophobicContact CB-CG2 4.47Å; L438-V473 HydrophobicContact CD1-CG2 4.4Å; L438-V473 CarbonylContact O-C 3.6Å; L438-V473 WeakPolarHBondContact O-CA 3.33Å; L438-L474 PolarHBondContact O-N 3.49Å; L438-F500 HydrophobicContact CD1-CE1 4.09Å; L438-F500 HydrophobicContact CD1-CZ 3.97Å; L438-L504 HydrophobicContact CD1-CD1 3.7Å; L438-L504 HydrophobicContact CD1-CD2 4.22Å
439	I	94.2	Very high	88.1	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125.2	-174.6	-52.3	173.9	0	0	0	108.4	L345 I346 G347 V351 K353 L356 I437 L474 N476	L345-I439 HydrophobicContact CD2-CD1 4.4Å; I346-I439 PolarHBondContact O-N 3.44Å; G347-I439 VanDerWaalsContact CA-O 3.24Å; G347-I439 WeakPolarHBondContact CA-O 3.36Å; V351-I439 HydrophobicContact CB-CG2 4.4Å; V351-I439 HydrophobicContact CG2-CB 4.23Å; V351-I439 HydrophobicContact CG2-CG2 4Å; K353-I439 HydrophobicContact CG-CD1 4.21Å; L356-I439 HydrophobicContact CD2-CD1 3.59Å; I437-I439 HydrophobicContact CG2-CD1 4.35Å; I437-I439 HydrophobicContact CG2-CG1 3.9Å; I439-L474 WeakPolarHBondContact CA-O 3.47Å; I439-L474 HydrophobicContact CG1-CB 4.31Å; I439-L474 HydrophobicContact CG1-CD1 4.33Å; I439-N476 HydrophobicContact CG2-CB 4.01Å
440	F	95	Very high	88.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	166.9	172.5	69.3	-77.1	0	0	0	110.8	I442 L448 L451 V473 L474 N476 V492 I497 F508	F440-I442 HydrophobicContact CE2-CG1 4.45Å; F440-L448 HydrophobicContact CD1-CD1 4.1Å; F440-L448 HydrophobicContact CD2-CB 3.98Å; F440-L448 HydrophobicContact CD2-CD1 4.35Å; F440-L448 HydrophobicContact CE1-CD1 4.21Å; F440-L448 HydrophobicContact CE2-CB 4.43Å; F440-L448 HydrophobicContact CE2-CD1 4.46Å; F440-L448 HydrophobicContact CG-CB 4.31Å; F440-L448 HydrophobicContact CG-CD1 4.18Å; F440-L448 HydrophobicContact CZ-CD1 4.39Å; F440-L451 HydrophobicContact CB-CD1 3.65Å; F440-L451 HydrophobicContact CD1-CD1 4.13Å; F440-L451 HydrophobicContact CG-CD1 4.29Å; F440-V473 HydrophobicContact CD1-CG1 3.94Å; F440-V473 HydrophobicContact CE1-CG1 3.63Å; F440-L474 WeakPolarHBondContact CD1-O 3.15Å; F440-L474 PolarHBondContact N-O 3.12Å; F440-N476 WeakPolarHBondContact O-CB 3.46Å; F440-N476 PolarHBondContact O-N 3.35Å; F440-V492 HydrophobicContact CE2-CG2 4.44Å; F440-I497 HydrophobicContact CE2-CD1 4.28Å; F440-I497 HydrophobicContact CE2-CG1 4.49Å; F440-I497 HydrophobicContact CZ-CD1 3.88Å; F440-I497 HydrophobicContact CZ-CG1 4.01Å; F440-I497 HydrophobicContact CZ-CG2 4.3Å; F440-F508 AromaticContact CE1-CE2 3.87Å; F440-F508 HydrophobicContact CE1-CE2 3.87Å; F440-F508 AromaticContact CZ-CE2 3.9Å; F440-F508 HydrophobicContact CZ-CE2 3.9Å; F440-F508 HydrophobicContact CZ-CZ 4.42Å
441	D	93.2	Very high	89.4	Confident	18 Å²	18	38.9 Å²	38.9	10%	0.096	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.3	172.6	-175.8	-16.6	0	0	0	108.8	W443 S444 T447 K477	D441-W443 PolarHBondContact O-N 2.76Å; D441-W443 PolarHBondContact OD1-N 3.03Å; D441-S444 PolarHBondContact O-N 3.03Å; D441-T447 HydrophobicContact CB-CG2 4.18Å; D441-T447 PolarHBondContact N-OG1 3.4Å; D441-T447 PolarHBondContact O-OG1 3.41Å; D441-K477 VanDerWaalsContact OD2-CD 3.28Å; D441-K477 WeakPolarHBondContact OD2-CD 3.44Å; D441-K477 WeakPolarHBondContact OD2-CE 3.34Å; D441-K477 IonicContact OD2-NZ 2.7Å; D441-K477 PolarHBondContact OD2-NZ 3.25Å
442	I	91.4	Very high	90	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.3	-175.3	-150.3	169.2	0	0	0	113.2	F440 N476 I478 K491 V492 E510	F440-I442 HydrophobicContact CE2-CG1 4.45Å; I442-N476 PolarHBondContact N-O 2.71Å; I442-I478 HydrophobicContact CD1-CG2 4.18Å; I442-I478 HydrophobicContact CG2-CG2 4.5Å; I442-K491 HydrophobicContact CD1-CD 4.39Å; I442-K491 VanDerWaalsContact CD1-CE 3.43Å; I442-K491 HydrophobicContact CD1-CG 4.41Å; I442-K491 HydrophobicContact CG1-CG 4Å; I442-V492 WeakPolarHBondContact O-CG2 3.45Å; I442-V492 PolarHBondContact O-N 3.1Å; I442-E510 HydrophobicContact CD1-CB 4.37Å; I442-E510 HydrophobicContact CD1-CG 3.74Å
443	W	90	Very high	90.4	Very high	42 Å²	42	35.3 Å²	35.3	16%	0.159	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-5.5	178.3	-53.8	104	0	0	0	113.9	D441 K477 P482 L489 K491	D441-W443 PolarHBondContact O-N 2.76Å; D441-W443 PolarHBondContact OD1-N 3.03Å; W443-K477 PolarHBondContact NE1-O 3.1Å; W443-P482 VanDerWaalsContact CH2-CD 3.48Å; W443-P482 HydrophobicContact CH2-CG 4.29Å; W443-L489 HydrophobicContact CD2-CB 4.21Å; W443-L489 HydrophobicContact CE3-CB 3.67Å; W443-L489 HydrophobicContact CG-CD1 4.43Å; W443-L489 HydrophobicContact CZ3-CB 4.24Å; W443-L489 WeakPolarHBondContact CZ3-O 3.41Å; W443-K491 HydrophobicContact CE3-CB 4.14Å; W443-K491 HydrophobicContact CH2-CB 4.45Å; W443-K491 HydrophobicContact CZ3-CB 3.81Å
444	S	89.6	Confident	90.2	Very high	25 Å²	25	35.1 Å²	35.1	18%	0.175	16%	0.163	C	C	.	.			trans	-120.8	111.6	177.7	171.3	0	0	0	0	111.2	D441 E446 T447	D441-S444 PolarHBondContact O-N 3.03Å; S444-E446 PolarHBondContact O-N 2.98Å; S444-E446 PolarHBondContact OG-OE2 3.12Å; S444-T447 PolarHBondContact O-N 3.33Å; S444-T447 PolarHBondContact O-OG1 3.14Å; S444-T447 PolarHBondContact OG-N 3.26Å
445	K	89.8	Confident	89.8	Confident	93 Å²	93	32.6 Å²	32.6	40%	0.404	15%	0.149	S	C	.	.	H	α-helix	trans	-62.9	-31.2	176.5	-68.2	174.6	-177.5	176.7	0	111.9	T447 L448 F449 V492	K445-T447 VanDerWaalsContact C-N 3.32Å; K445-T447 PolarHBondContact O-N 3.04Å; K445-L448 PolarHBondContact O-N 2.82Å; K445-F449 PolarHBondContact O-N 3.36Å; K445-V492 HydrophobicContact CG-CG2 3.93Å
446	E	89.8	Confident	89.2	Confident	119 Å²	119	37.4 Å²	37.4	56%	0.556	17%	0.168	S	C	*	.	H	α-helix	trans	-62.4	-42.3	-179.9	-58.9	68.4	-145.3	0	0	110.3	S444 L448 F449 E450	S444-E446 PolarHBondContact O-N 2.98Å; S444-E446 PolarHBondContact OG-OE2 3.12Å; E446-L448 VanDerWaalsContact C-N 3.32Å; E446-L448 PolarHBondContact O-N 3.42Å; E446-F449 PolarHBondContact O-N 3.2Å; E446-E450 WeakPolarHBondContact O-CG 3.35Å; E446-E450 PolarHBondContact O-N 3.03Å
447	T	90.2	Very high	88.3	Confident	14 Å²	14	39.6 Å²	39.6	9%	0.086	18%	0.182	C	C	.	.	H	α-helix	trans	-66.3	-33.6	-179.9	65.3	0	0	0	0	112.9	V351 D441 S444 K445 L451	V351-T447 HydrophobicContact CG1-CG2 3.72Å; D441-T447 HydrophobicContact CB-CG2 4.18Å; D441-T447 PolarHBondContact N-OG1 3.4Å; D441-T447 PolarHBondContact O-OG1 3.41Å; S444-T447 PolarHBondContact O-N 3.33Å; S444-T447 PolarHBondContact O-OG1 3.14Å; S444-T447 PolarHBondContact OG-N 3.26Å; K445-T447 VanDerWaalsContact C-N 3.32Å; K445-T447 PolarHBondContact O-N 3.04Å; T447-L451 WeakPolarHBondContact O-CG 3.46Å; T447-L451 PolarHBondContact O-N 2.85Å
448	L	92	Very high	87.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-71.1	-43.3	172.4	-178.8	63.7	0	0	0	111.1	F440 K445 E446 E450 L451 E452 V492 R496 I497 F500	F440-L448 HydrophobicContact CD1-CD1 4.1Å; F440-L448 HydrophobicContact CD2-CB 3.98Å; F440-L448 HydrophobicContact CD2-CD1 4.35Å; F440-L448 HydrophobicContact CE1-CD1 4.21Å; F440-L448 HydrophobicContact CE2-CB 4.43Å; F440-L448 HydrophobicContact CE2-CD1 4.46Å; F440-L448 HydrophobicContact CG-CB 4.31Å; F440-L448 HydrophobicContact CG-CD1 4.18Å; F440-L448 HydrophobicContact CZ-CD1 4.39Å; K445-L448 PolarHBondContact O-N 2.82Å; E446-L448 VanDerWaalsContact C-N 3.32Å; E446-L448 PolarHBondContact O-N 3.42Å; L448-E450 VanDerWaalsContact C-N 3.29Å; L448-E450 PolarHBondContact O-N 2.9Å; L448-L451 WeakPolarHBondContact O-CB 3.42Å; L448-L451 PolarHBondContact O-N 2.84Å; L448-L451 VanDerWaalsContact O-N 3.08Å; L448-E452 HydrophobicContact CG-CG 4.47Å; L448-E452 WeakPolarHBondContact O-CG 3.45Å; L448-E452 PolarHBondContact O-N 3.47Å; L448-V492 HydrophobicContact CD2-CG1 3.67Å; L448-R496 HydrophobicContact CD2-CG 4.26Å; L448-I497 HydrophobicContact CD2-CG1 4.25Å; L448-F500 HydrophobicContact CD1-CD1 3.81Å; L448-F500 HydrophobicContact CD1-CE1 4.1Å
449	F	89.8	Confident	85.9	Confident	119 Å²	119	44.4 Å²	44.4	52%	0.522	20%	0.203	S	C	.	.	H	α-helix	trans	-60.6	-37.6	179	-179.4	-104.6	0	0	0	112.7	K445 E446 L451 E452 K453	K445-F449 PolarHBondContact O-N 3.36Å; E446-F449 PolarHBondContact O-N 3.2Å; F449-L451 VanDerWaalsContact C-N 3.34Å; F449-L451 PolarHBondContact O-N 2.95Å; F449-E452 WeakPolarHBondContact O-CB 3.26Å; F449-E452 PolarHBondContact O-N 2.97Å; F449-K453 WeakPolarHBondContact O-CB 3.46Å; F449-K453 PolarHBondContact O-N 3.16Å
450	E	87.3	Confident	84.3	Confident	84 Å²	84	51.9 Å²	51.9	39%	0.393	24%	0.238	S	C	.	.	H	α-helix	trans	-63.6	-38.8	173.9	-73.9	-178.8	-174.6	0	0	112.5	S348 E446 L448 Y454	S348-E450 WeakPolarHBondContact CB-OE2 3.35Å; S348-E450 PolarHBondContact OG-OE2 2.7Å; E446-E450 WeakPolarHBondContact O-CG 3.35Å; E446-E450 PolarHBondContact O-N 3.03Å; L448-E450 VanDerWaalsContact C-N 3.29Å; L448-E450 PolarHBondContact O-N 2.9Å; E450-Y454 VanDerWaalsContact O-CB 3.31Å; E450-Y454 WeakPolarHBondContact O-CB 3.34Å; E450-Y454 PolarHBondContact O-N 2.96Å
451	L	88.6	Confident	82.5	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.5	-41.9	173.7	-70.5	179	0	0	0	112.2	I346 I412 L438 F440 T447 L448 F449 Y454 Y455 F500	I346-L451 HydrophobicContact CG2-CD2 4.19Å; I412-L451 HydrophobicContact CD1-CD2 3.85Å; L438-L451 HydrophobicContact CB-CD1 3.99Å; L438-L451 HydrophobicContact CB-CD2 4.15Å; L438-L451 HydrophobicContact CD2-CD2 4.31Å; F440-L451 HydrophobicContact CB-CD1 3.65Å; F440-L451 HydrophobicContact CD1-CD1 4.13Å; F440-L451 HydrophobicContact CG-CD1 4.29Å; T447-L451 WeakPolarHBondContact O-CG 3.46Å; T447-L451 PolarHBondContact O-N 2.85Å; L448-L451 WeakPolarHBondContact O-CB 3.42Å; L448-L451 PolarHBondContact O-N 2.84Å; L448-L451 VanDerWaalsContact O-N 3.08Å; F449-L451 VanDerWaalsContact C-N 3.34Å; F449-L451 PolarHBondContact O-N 2.95Å; L451-Y454 PolarHBondContact O-N 3.39Å; L451-Y455 WeakPolarHBondContact O-CB 3.36Å; L451-Y455 PolarHBondContact O-N 3.28Å; L451-F500 HydrophobicContact CB-CE1 4.35Å; L451-F500 HydrophobicContact CB-CZ 4.24Å
452	E	88.2	Confident	80.6	Confident	23 Å²	23	57.5 Å²	57.5	11%	0.107	27%	0.267	C	S	.	.	H	α-helix	trans	-57.1	-53	174.8	-72.4	170.5	175	0	0	109.7	L448 F449 Y454 Y455 Y456 R496 F500	L448-E452 HydrophobicContact CG-CG 4.47Å; L448-E452 WeakPolarHBondContact O-CG 3.45Å; L448-E452 PolarHBondContact O-N 3.47Å; F449-E452 WeakPolarHBondContact O-CB 3.26Å; F449-E452 PolarHBondContact O-N 2.97Å; E452-Y454 VanDerWaalsContact C-N 3.31Å; E452-Y454 PolarHBondContact O-N 3.27Å; E452-Y455 PolarHBondContact O-N 2.9Å; E452-Y455 VanDerWaalsContact O-N 3.11Å; E452-Y456 HydrophobicContact CB-CD2 4.47Å; E452-Y456 HydrophobicContact CB-CE2 4.22Å; E452-Y456 WeakPolarHBondContact O-CD2 3.4Å; E452-Y456 PolarHBondContact O-N 2.9Å; E452-R496 IonicContact OE1-CZ 2.69Å; E452-R496 IonicContact OE1-NE 3.09Å; E452-R496 PolarHBondContact OE1-NE 2.76Å; E452-R496 IonicContact OE1-NH2 2.78Å; E452-R496 IonicContact OE2-CZ 2.61Å; E452-R496 IonicContact OE2-NE 3.94Å; E452-R496 IonicContact OE2-NH2 3.76Å; E452-R496 PolarHBondContact OE2-NH2 3.06Å; E452-F500 HydrophobicContact CB-CD2 4.5Å; E452-F500 HydrophobicContact CB-CE2 4.23Å; E452-F500 HydrophobicContact CG-CD2 3.68Å; E452-F500 HydrophobicContact CG-CE2 3.81Å; E452-F500 HydrophobicContact CG-CG 4.12Å; E452-F500 HydrophobicContact CG-CZ 4.34Å
453	K	85.6	Confident	78.7	Confident	130 Å²	130	64.7 Å²	64.7	57%	0.565	31%	0.306	S	S	*	.	H	α-helix	trans	-56.1	-45.8	177.4	-176.5	-177	177.6	-173	0	111.8	F449 T457	F449-K453 WeakPolarHBondContact O-CB 3.46Å; F449-K453 PolarHBondContact O-N 3.16Å; K453-T457 WeakPolarHBondContact O-CB 3.33Å; K453-T457 PolarHBondContact O-N 3.18Å; K453-T457 PolarHBondContact O-OG1 3.05Å
454	Y	80.9	Confident	76.8	Confident	7 Å²	7	70.6 Å²	70.6	3%	0.027	34%	0.335	C	S	.	.	H	α-helix	trans	-60.4	-45.4	176.6	166.4	-89.5	0	0	0	111.8	I346 I412 L415 Y430 L438 E450 L451 E452 T457 T458	I346-Y454 HydrophobicContact CD1-CD1 4.49Å; I346-Y454 HydrophobicContact CD1-CE1 3.48Å; I346-Y454 VanDerWaalsContact CD1-CE1 3.48Å; I346-Y454 HydrophobicContact CD1-CE2 4.17Å; I346-Y454 WeakPolarHBondContact CD1-OH 3.32Å; I346-Y454 HydrophobicContact CG2-CD1 4.19Å; I346-Y454 HydrophobicContact CG2-CE1 4.12Å; I346-Y454 HydrophobicContact CG2-CE2 4.47Å; I346-Y454 HydrophobicContact CG2-CG 4.44Å; I412-Y454 HydrophobicContact CD1-CG 4.23Å; I412-Y454 HydrophobicContact CG1-CD2 3.84Å; I412-Y454 HydrophobicContact CG1-CG 3.97Å; L415-Y454 HydrophobicContact CB-CE2 4.37Å; L415-Y454 HydrophobicContact CD1-CE2 3.72Å; L415-Y454 WeakPolarHBondContact CD1-OH 3.28Å; L415-Y454 HydrophobicContact CG-CE2 4.16Å; Y430-Y454 WeakPolarHBondContact CE2-OH 3.41Å; L438-Y454 HydrophobicContact CD2-CE1 4.39Å; E450-Y454 VanDerWaalsContact O-CB 3.31Å; E450-Y454 WeakPolarHBondContact O-CB 3.34Å; E450-Y454 PolarHBondContact O-N 2.96Å; L451-Y454 PolarHBondContact O-N 3.39Å; E452-Y454 VanDerWaalsContact C-N 3.31Å; E452-Y454 PolarHBondContact O-N 3.27Å; Y454-T457 PolarHBondContact O-N 3.41Å; Y454-T458 HydrophobicContact CD2-CG2 4.28Å; Y454-T458 HydrophobicContact CE1-CG2 4.17Å; Y454-T458 HydrophobicContact CE2-CG2 3.75Å; Y454-T458 WeakPolarHBondContact O-CG2 3.39Å; Y454-T458 PolarHBondContact O-N 3.29Å; Y454-T458 PolarHBondContact O-OG1 2.64Å; Y454-T458 VanDerWaalsContact O-OG1 3.05Å
455	Y	81.5	Confident	75.1	Confident	8 Å²	8	71.6 Å²	71.6	3%	0.031	34%	0.338	C	S	.	.	H	α-helix	trans	-63.8	-48.1	179.8	174.1	-122	0	0	0	111.8	L451 E452 T457 T458 K459 F500 D503 L504	L451-Y455 WeakPolarHBondContact O-CB 3.36Å; L451-Y455 PolarHBondContact O-N 3.28Å; E452-Y455 PolarHBondContact O-N 2.9Å; E452-Y455 VanDerWaalsContact O-N 3.11Å; Y455-T457 VanDerWaalsContact C-N 3.33Å; Y455-T457 PolarHBondContact O-N 3.4Å; Y455-T458 PolarHBondContact O-N 2.87Å; Y455-T458 PolarHBondContact O-OG1 3.45Å; Y455-K459 HydrophobicContact CE1-CD 4.17Å; Y455-K459 HydrophobicContact CE2-CB 4.46Å; Y455-K459 VanDerWaalsContact O-CB 3.32Å; Y455-K459 WeakPolarHBondContact O-CB 3.45Å; Y455-K459 PolarHBondContact O-N 2.76Å; Y455-F500 AromaticContact CD1-CE2 3.96Å; Y455-F500 HydrophobicContact CD1-CE2 3.96Å; Y455-F500 HydrophobicContact CG-CE2 4.3Å; Y455-D503 HydrophobicContact CE1-CB 4.42Å; Y455-D503 PolarHBondContact OH-O 3.08Å; Y455-L504 HydrophobicContact CD1-CD2 3.91Å; Y455-L504 HydrophobicContact CD1-CG 4.22Å; Y455-L504 HydrophobicContact CD2-CD2 3.31Å; Y455-L504 HydrophobicContact CD2-CG 4.44Å; Y455-L504 HydrophobicContact CE1-CD2 3.79Å; Y455-L504 HydrophobicContact CE1-CG 4Å; Y455-L504 HydrophobicContact CE2-CD2 3.21Å; Y455-L504 HydrophobicContact CE2-CG 4.28Å; Y455-L504 HydrophobicContact CG-CD2 3.65Å; Y455-L504 HydrophobicContact CG-CG 4.4Å; Y455-L504 VanDerWaalsContact CZ-CD2 3.43Å
456	Y	78.5	Confident	73.4	Confident	100 Å²	100	75.1 Å²	75.1	39%	0.392	36%	0.36	S	S	.	.	H	α-helix	trans	-63.7	-39.2	-179.9	-67.8	-62.8	0	0	0	112.1	E452 T458 K459 E460 D503	E452-Y456 HydrophobicContact CB-CD2 4.47Å; E452-Y456 HydrophobicContact CB-CE2 4.22Å; E452-Y456 WeakPolarHBondContact O-CD2 3.4Å; E452-Y456 PolarHBondContact O-N 2.9Å; Y456-T458 VanDerWaalsContact C-N 3.34Å; Y456-T458 PolarHBondContact O-N 3.3Å; Y456-K459 PolarHBondContact O-N 3.23Å; Y456-E460 PolarHBondContact O-N 2.91Å; Y456-D503 PolarHBondContact OH-OD2 3.48Å
457	T	71.9	Confident	72.2	Confident	46 Å²	46	77 Å²	77	28%	0.282	36%	0.362	S	S	.	.	H	α-helix	trans	-64	-38.2	175.3	-50.3	0	0	0	0	112.1	K453 Y454 Y455 N461	K453-T457 WeakPolarHBondContact O-CB 3.33Å; K453-T457 PolarHBondContact O-N 3.18Å; K453-T457 PolarHBondContact O-OG1 3.05Å; Y454-T457 PolarHBondContact O-N 3.41Å; Y455-T457 VanDerWaalsContact C-N 3.33Å; Y455-T457 PolarHBondContact O-N 3.4Å; T457-N461 PolarHBondContact O-ND2 2.91Å; T457-N461 VanDerWaalsContact O-ND2 3.16Å
458	T	69.1	Low	71.5	Confident	7 Å²	7	82.3 Å²	82.3	4%	0.043	38%	0.384	C	S	.	.	H	α-helix	trans	-76.5	-36.1	177.7	55.3	0	0	0	0	112.2	L415 Y454 Y455 Y456 E460 N461 Q462	L415-T458 HydrophobicContact CD1-CG2 4.26Å; Y454-T458 HydrophobicContact CD2-CG2 4.28Å; Y454-T458 HydrophobicContact CE1-CG2 4.17Å; Y454-T458 HydrophobicContact CE2-CG2 3.75Å; Y454-T458 WeakPolarHBondContact O-CG2 3.39Å; Y454-T458 PolarHBondContact O-N 3.29Å; Y454-T458 PolarHBondContact O-OG1 2.64Å; Y454-T458 VanDerWaalsContact O-OG1 3.05Å; Y455-T458 PolarHBondContact O-N 2.87Å; Y455-T458 PolarHBondContact O-OG1 3.45Å; Y456-T458 VanDerWaalsContact C-N 3.34Å; Y456-T458 PolarHBondContact O-N 3.3Å; T458-E460 VanDerWaalsContact C-N 3.28Å; T458-E460 PolarHBondContact O-N 3.27Å; T458-N461 CarbonylContact O-C 3.48Å; T458-N461 WeakPolarHBondContact O-CA 3.5Å; T458-N461 WeakPolarHBondContact O-CB 3.07Å; T458-N461 PolarHBondContact O-N 3.25Å; T458-Q462 VanDerWaalsContact O-CG 3.32Å; T458-Q462 WeakPolarHBondContact O-CG 3.28Å; T458-Q462 PolarHBondContact O-N 3.42Å
459	K	67.7	Low	71.1	Confident	95 Å²	95	82.7 Å²	82.7	41%	0.413	39%	0.386	S	S	.	.	H	α-helix	trans	-57.4	-39.6	179.6	-171.9	176.3	-178.2	174.8	0	112.2	Y455 Y456 N461 Q462	Y455-K459 HydrophobicContact CE1-CD 4.17Å; Y455-K459 HydrophobicContact CE2-CB 4.46Å; Y455-K459 VanDerWaalsContact O-CB 3.32Å; Y455-K459 WeakPolarHBondContact O-CB 3.45Å; Y455-K459 PolarHBondContact O-N 2.76Å; Y456-K459 PolarHBondContact O-N 3.23Å; K459-N461 PolarHBondContact O-N 2.97Å; K459-Q462 PolarHBondContact O-N 3.38Å
460	E	59.7	Low	71.2	Confident	158 Å²	158	78.4 Å²	78.4	74%	0.738	37%	0.368	S	S	*	.	H	α-helix	trans	-59.8	-32.8	174.1	-69.2	-177.1	169.6	0	0	112.4	Y456 T458	Y456-E460 PolarHBondContact O-N 2.91Å; T458-E460 VanDerWaalsContact C-N 3.28Å; T458-E460 PolarHBondContact O-N 3.27Å
461	N	57.6	Low	71.4	Confident	107 Å²	107	74.6 Å²	74.6	57%	0.572	35%	0.35	S	S	*	.	H	α-helix	trans	-87.8	-18.9	178.1	-65.3	-45.2	0	0	0	113.7	T457 T458 K459 N463	T457-N461 PolarHBondContact O-ND2 2.91Å; T457-N461 VanDerWaalsContact O-ND2 3.16Å; T458-N461 CarbonylContact O-C 3.48Å; T458-N461 WeakPolarHBondContact O-CA 3.5Å; T458-N461 WeakPolarHBondContact O-CB 3.07Å; T458-N461 PolarHBondContact O-N 3.25Å; K459-N461 PolarHBondContact O-N 2.97Å; N461-N463 VanDerWaalsContact C-N 3.28Å; N461-N463 PolarHBondContact O-N 3.27Å
462	Q	54.2	Low	71.7	Confident	29 Å²	29	74.6 Å²	74.6	14%	0.136	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-72.7	-12.5	-172.9	-80.8	-175.9	41.1	0	0	114.8	Y430 T458 K459 Q464 L465 Y471	Y430-Q462 PolarHBondContact OH-NE2 2.96Å; T458-Q462 VanDerWaalsContact O-CG 3.32Å; T458-Q462 WeakPolarHBondContact O-CG 3.28Å; T458-Q462 PolarHBondContact O-N 3.42Å; K459-Q462 PolarHBondContact O-N 3.38Å; Q462-Q464 PolarHBondContact O-N 3.47Å; Q462-L465 HydrophobicContact CB-CD1 4.23Å; Q462-L465 HydrophobicContact CB-CG 4.49Å; Q462-L465 HydrophobicContact CG-CD1 3.65Å; Q462-L465 HydrophobicContact CG-CG 4.31Å; Q462-L465 PolarHBondContact O-N 3.15Å; Q462-Y471 PolarHBondContact NE2-OH 3.49Å; Q462-Y471 PolarHBondContact OE1-OH 3.01Å
463	N	51	Low	72.1	Confident	153 Å²	153	73.5 Å²	73.5	82%	0.818	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-56.7	-8.9	176.1	-73	-22.1	0	0	0	113.5	N461	N461-N463 VanDerWaalsContact C-N 3.28Å; N461-N463 PolarHBondContact O-N 3.27Å
464	Q	50.4	Low	72.6	Confident	165 Å²	165	67.4 Å²	67.4	77%	0.771	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-104.4	-3.5	177.2	-58.7	177.9	19.7	0	0	114.4	Q462 I466	Q462-Q464 PolarHBondContact O-N 3.47Å; Q464-I466 PolarHBondContact O-N 3.44Å
465	L	54	Low	73.2	Confident	47 Å²	47	67 Å²	67	25%	0.246	32%	0.317	C	S	.	.			trans	-74.6	128.3	-178.2	-71	-176.7	0	0	0	111.6	Y430 E431 Q462 R467	Y430-L465 HydrophobicContact CE1-CD1 4.18Å; E431-L465 HydrophobicContact CB-CD2 4.29Å; E431-L465 HydrophobicContact CG-CD2 3.97Å; Q462-L465 HydrophobicContact CB-CD1 4.23Å; Q462-L465 HydrophobicContact CB-CG 4.49Å; Q462-L465 HydrophobicContact CG-CD1 3.65Å; Q462-L465 HydrophobicContact CG-CG 4.31Å; Q462-L465 PolarHBondContact O-N 3.15Å; L465-R467 PolarHBondContact O-N 3.45Å
466	I	54.4	Low	73.9	Confident	166 Å²	166	66.9 Å²	66.9	85%	0.851	32%	0.317	S	S	*	.	S	Bend	trans	-65.7	-28.2	178.6	-58.2	168.7	0	0	0	111.2	Q464	Q464-I466 PolarHBondContact O-N 3.44Å
467	R	63.8	Low	74.5	Confident	159 Å²	159	64.5 Å²	64.5	60%	0.6	31%	0.309	S	S	*	.	S	Bend	trans	-139.2	135.3	177.6	-67.6	-171.2	176.8	104.4	-1.2	110.3	L465 P469	L465-R467 PolarHBondContact O-N 3.45Å; R467-P469 WeakPolarHBondContact O-CD 3.5Å
468	K	74.8	Confident	75.4	Confident	126 Å²	126	63 Å²	63	55%	0.548	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-78.1	117.4	171.2	-172.2	-176.3	177.4	-167.1	0	108.3	D505	K468-D505 IonicContact NZ-OD2 3.66Å; K468-D505 PolarHBondContact NZ-OD2 2.88Å
469	P	84.5	Confident	76.2	Confident	8 Å²	8	65.3 Å²	65.3	5%	0.052	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-69.1	157.4	177.4	28.8	-33.9	0	0	0	111	I436 R467 Y471	I436-P469 HydrophobicContact CD1-CB 4.02Å; I436-P469 HydrophobicContact CD1-CG 3.53Å; I436-P469 HydrophobicContact CG1-CB 4.09Å; I436-P469 HydrophobicContact CG1-CG 4.15Å; R467-P469 WeakPolarHBondContact O-CD 3.5Å; P469-Y471 HydrophobicContact CG-CE2 3.91Å; P469-Y471 WeakPolarHBondContact O-CD2 3.4Å
470	I	90.8	Very high	76.9	Confident	28 Å²	28	64.3 Å²	64.3	14%	0.144	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	126.1	173.3	-54.8	-172.5	0	0	0	109.6	D434 G435 I436 F526 K529 L530 A533	D434-I470 PolarHBondContact O-N 3.06Å; G435-I470 CarbonylContact C-O 3.52Å; G435-I470 VanDerWaalsContact CA-O 3.23Å; G435-I470 WeakPolarHBondContact CA-O 3.5Å; I436-I470 PolarHBondContact N-O 3.23Å; I470-F526 HydrophobicContact CB-CE2 4.36Å; I470-F526 HydrophobicContact CG2-CD2 4.42Å; I470-F526 HydrophobicContact CG2-CE2 4.04Å; I470-K529 HydrophobicContact CD1-CB 3.98Å; I470-K529 WeakPolarHBondContact CD1-O 3.26Å; I470-K529 HydrophobicContact CG2-CB 4.24Å; I470-K529 HydrophobicContact CG2-CD 4.32Å; I470-L530 HydrophobicContact CB-CD2 4.28Å; I470-L530 HydrophobicContact CD1-CB 4.44Å; I470-L530 HydrophobicContact CD1-CD2 3.83Å; I470-L530 HydrophobicContact CD1-CG 4.18Å; I470-L530 HydrophobicContact CG1-CD2 4.17Å; I470-A533 HydrophobicContact CD1-CB 3.63Å; I470-A533 HydrophobicContact CG1-CB 4.27Å
471	Y	92.2	Very high	77.3	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.016	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	135.4	177.1	-69.3	-84.4	0	0	0	112	I436 L438 Q462 P469 L504 G506 T507	I436-Y471 HydrophobicContact CB-CD1 3.9Å; I436-Y471 HydrophobicContact CB-CE1 3.89Å; I436-Y471 HydrophobicContact CD1-CD1 4.48Å; I436-Y471 HydrophobicContact CD1-CE1 3.64Å; I436-Y471 HydrophobicContact CG1-CE1 4.33Å; I436-Y471 HydrophobicContact CG2-CD1 4.15Å; I436-Y471 HydrophobicContact CG2-CE1 4.07Å; I436-Y471 WeakPolarHBondContact O-CA 3.35Å; L438-Y471 HydrophobicContact CD1-CD1 4.47Å; Q462-Y471 PolarHBondContact NE2-OH 3.49Å; Q462-Y471 PolarHBondContact OE1-OH 3.01Å; P469-Y471 HydrophobicContact CG-CE2 3.91Å; P469-Y471 WeakPolarHBondContact O-CD2 3.4Å; Y471-L504 HydrophobicContact CD1-CD2 3.72Å; Y471-L504 HydrophobicContact CD2-CD2 4.25Å; Y471-L504 HydrophobicContact CE1-CD2 4.06Å; Y471-L504 HydrophobicContact CG-CB 4.48Å; Y471-L504 HydrophobicContact CG-CD2 3.81Å; Y471-G506 VanDerWaalsContact O-CA 3.23Å; Y471-G506 WeakPolarHBondContact O-CA 3.39Å; Y471-T507 PolarHBondContact O-N 3.02Å
472	M	95.4	Very high	77.3	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134.9	165.5	-179.8	165.7	70	0	0	109.2	I436 I437 L438 L474 T507 F509 A522 I523 F526	I436-M472 PolarHBondContact O-N 3.32Å; I437-M472 CarbonylContact C-O 3.58Å; I437-M472 VanDerWaalsContact CA-O 3.29Å; I437-M472 WeakPolarHBondContact CA-O 3.46Å; I437-M472 HydrophobicContact CD1-CE 3.58Å; I437-M472 HydrophobicContact CG1-CB 4.46Å; I437-M472 HydrophobicContact CG1-CE 3.91Å; I437-M472 HydrophobicContact CG2-CE 4.18Å; L438-M472 PolarHBondContact N-O 3.46Å; M472-L474 HydrophobicContact CE-CD1 4.23Å; M472-L474 HydrophobicContact CE-CD2 4.04Å; M472-L474 HydrophobicContact CE-CG 4.32Å; M472-L474 HydrophobicContact CG-CD2 3.95Å; M472-L474 HydrophobicContact CG-CG 4.36Å; M472-L474 HydrophobicContact SD-CD2 4.02Å; M472-T507 CarbonylContact C-O 3.59Å; M472-T507 WeakPolarHBondContact CA-O 3.42Å; M472-F509 HydrophobicContact SD-CD2 4.17Å; M472-A522 HydrophobicContact SD-CB 4.44Å; M472-I523 HydrophobicContact CE-CD1 4.38Å; M472-F526 HydrophobicContact CB-CD2 3.63Å; M472-F526 HydrophobicContact CB-CE2 3.75Å; M472-F526 HydrophobicContact CE-CB 3.68Å; M472-F526 HydrophobicContact CE-CD1 4.2Å; M472-F526 HydrophobicContact CE-CD2 3.94Å; M472-F526 HydrophobicContact CE-CG 3.69Å; M472-F526 HydrophobicContact CG-CD2 4.4Å; M472-F526 HydrophobicContact SD-CB 3.75Å; M472-F526 HydrophobicContact SD-CD2 3.95Å; M472-F526 HydrophobicContact SD-CG 4.06Å
473	V	95.3	Very high	77.4	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.2	178.1	-173.8	0	0	0	0	107.8	L438 F440 F500 V501 L504 T507 F508 F509	L438-V473 HydrophobicContact CB-CG2 4.47Å; L438-V473 HydrophobicContact CD1-CG2 4.4Å; L438-V473 CarbonylContact O-C 3.6Å; L438-V473 WeakPolarHBondContact O-CA 3.33Å; F440-V473 HydrophobicContact CD1-CG1 3.94Å; F440-V473 HydrophobicContact CE1-CG1 3.63Å; V473-F500 HydrophobicContact CG1-CD1 4.49Å; V473-F500 HydrophobicContact CG1-CE1 4.47Å; V473-F500 HydrophobicContact CG2-CD1 4.43Å; V473-F500 HydrophobicContact CG2-CE1 4.27Å; V473-V501 HydrophobicContact CB-CG2 3.91Å; V473-V501 HydrophobicContact CG1-CG2 4.35Å; V473-V501 HydrophobicContact CG2-CG2 3.84Å; V473-L504 HydrophobicContact CG2-CD1 3.58Å; V473-T507 PolarHBondContact N-O 3.27Å; V473-F508 HydrophobicContact CB-CD2 4.21Å; V473-F508 HydrophobicContact CG1-CD2 4.16Å; V473-F508 VanDerWaalsContact O-CA 3.31Å; V473-F508 WeakPolarHBondContact O-CA 3.32Å; V473-F508 WeakPolarHBondContact O-CD2 3.5Å; V473-F509 PolarHBondContact O-N 2.92Å; V473-F509 VanDerWaalsContact O-N 3.08Å
474	L	96.5	Very high	77.3	Confident	2 Å²	2	66.9 Å²	66.9	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	116.9	-179.7	-61.8	-177.2	0	0	0	109.8	L356 I437 L438 I439 F440 M472 N476 F509 I511 A522	L356-L474 HydrophobicContact CD2-CD1 4.06Å; I437-L474 HydrophobicContact CG2-CD1 3.43Å; I437-L474 VanDerWaalsContact CG2-CD1 3.43Å; I437-L474 HydrophobicContact CG2-CG 3.73Å; L438-L474 PolarHBondContact O-N 3.49Å; I439-L474 WeakPolarHBondContact CA-O 3.47Å; I439-L474 HydrophobicContact CG1-CB 4.31Å; I439-L474 HydrophobicContact CG1-CD1 4.33Å; F440-L474 WeakPolarHBondContact CD1-O 3.15Å; F440-L474 PolarHBondContact N-O 3.12Å; M472-L474 HydrophobicContact CE-CD1 4.23Å; M472-L474 HydrophobicContact CE-CD2 4.04Å; M472-L474 HydrophobicContact CE-CG 4.32Å; M472-L474 HydrophobicContact CG-CD2 3.95Å; M472-L474 HydrophobicContact CG-CG 4.36Å; M472-L474 HydrophobicContact SD-CD2 4.02Å; L474-N476 PolarHBondContact O-N 3.33Å; L474-F509 WeakPolarHBondContact CA-O 3.5Å; L474-F509 HydrophobicContact CD2-CB 3.78Å; L474-I511 HydrophobicContact CB-CD1 4.26Å; L474-I511 HydrophobicContact CB-CG1 4.24Å; L474-I511 HydrophobicContact CD1-CD1 3.9Å; L474-I511 HydrophobicContact CD2-CG2 4.26Å; L474-A522 HydrophobicContact CD2-CB 4.08Å
475	G	94.7	Very high	77.3	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	101.4	167.8	0	0	0	0	0	108.9	F509 E510 I511	G475-F509 PolarHBondContact N-O 3.45Å; G475-E510 CarbonylContact O-C 3.45Å; G475-E510 WeakPolarHBondContact O-CA 3.27Å; G475-I511 PolarHBondContact O-N 3.42Å
476	N	94.5	Very high	77.1	Confident	5 Å²	5	69.5 Å²	69.5	3%	0.027	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	165.3	-176.9	-169.7	36.2	0	0	0	112.4	V351 I439 F440 I442 L474 I511 A513	V351-N476 PolarHBondContact O-ND2 3.41Å; I439-N476 HydrophobicContact CG2-CB 4.01Å; F440-N476 WeakPolarHBondContact O-CB 3.46Å; F440-N476 PolarHBondContact O-N 3.35Å; I442-N476 PolarHBondContact N-O 2.71Å; L474-N476 PolarHBondContact O-N 3.33Å; N476-I511 CarbonylContact C-O 3.56Å; N476-I511 VanDerWaalsContact CA-O 3.29Å; N476-I511 WeakPolarHBondContact CA-O 3.39Å; N476-I511 HydrophobicContact CB-CG1 4.24Å; N476-I511 PolarHBondContact OD1-O 3.45Å; N476-A513 PolarHBondContact OD1-N 2.9Å
477	K	92.5	Very high	77.2	Confident	50 Å²	50	67.5 Å²	67.5	22%	0.217	35%	0.35	C	S	.	.			trans	75	32.9	175.4	-47.7	-167.7	-165.7	166.1	0	115.3	G350 D441 W443 D479 L480 I511	G350-K477 WeakPolarHBondContact O-CE 3.33Å; G350-K477 PolarHBondContact O-NZ 3.09Å; D441-K477 VanDerWaalsContact OD2-CD 3.28Å; D441-K477 WeakPolarHBondContact OD2-CD 3.44Å; D441-K477 WeakPolarHBondContact OD2-CE 3.34Å; D441-K477 IonicContact OD2-NZ 2.7Å; D441-K477 PolarHBondContact OD2-NZ 3.25Å; W443-K477 PolarHBondContact NE1-O 3.1Å; K477-D479 WeakPolarHBondContact CA-OD1 3.28Å; K477-D479 PolarHBondContact O-N 3.32Å; K477-D479 VanDerWaalsContact O-N 3.12Å; K477-L480 HydrophobicContact CB-CD1 3.92Å; K477-L480 HydrophobicContact CB-CG 4.19Å; K477-L480 HydrophobicContact CD-CD1 3.78Å; K477-L480 HydrophobicContact CG-CD1 4.5Å; K477-L480 PolarHBondContact O-N 3Å; K477-L480 VanDerWaalsContact O-N 3.08Å; K477-I511 PolarHBondContact N-O 3.24Å; K477-I511 VanDerWaalsContact N-O 3.11Å
478	I	89.9	Confident	76.9	Confident	15 Å²	15	67.8 Å²	67.8	8%	0.077	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-58.6	-21.9	171.9	63.3	-178	0	0	0	113.5	I442 L480 L481 E510 I511 E517	I442-I478 HydrophobicContact CD1-CG2 4.18Å; I442-I478 HydrophobicContact CG2-CG2 4.5Å; I478-L480 PolarHBondContact O-N 3.24Å; I478-L481 PolarHBondContact O-N 3.44Å; I478-E510 HydrophobicContact CG2-CB 3.81Å; I478-I511 PolarHBondContact N-O 2.89Å; I478-E517 HydrophobicContact CD1-CB 4.08Å; I478-E517 VanDerWaalsContact CD1-CD 3.5Å; I478-E517 HydrophobicContact CD1-CG 3.77Å
479	D	86.8	Confident	76.4	Confident	54 Å²	54	64.8 Å²	64.8	29%	0.289	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-64	-19.3	175.5	59	-74.6	0	0	0	113.8	K477 L481 S512 K514	K477-D479 WeakPolarHBondContact CA-OD1 3.28Å; K477-D479 PolarHBondContact O-N 3.32Å; K477-D479 VanDerWaalsContact O-N 3.12Å; D479-L481 PolarHBondContact O-N 3.27Å; D479-L481 VanDerWaalsContact O-N 3.07Å; D479-S512 VanDerWaalsContact CG-OG 3.25Å; D479-S512 WeakPolarHBondContact OD1-CB 3.19Å; D479-S512 PolarHBondContact OD1-OG 2.77Å; D479-K514 WeakPolarHBondContact OD2-CD 3.39Å
480	L	82.3	Confident	76.2	Confident	75 Å²	75	69.2 Å²	69.2	39%	0.393	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-78.7	24.1	175.3	-61.1	178.9	0	0	0	113	K477 I478 P482	K477-L480 HydrophobicContact CB-CD1 3.92Å; K477-L480 HydrophobicContact CB-CG 4.19Å; K477-L480 HydrophobicContact CD-CD1 3.78Å; K477-L480 HydrophobicContact CG-CD1 4.5Å; K477-L480 PolarHBondContact O-N 3Å; K477-L480 VanDerWaalsContact O-N 3.08Å; I478-L480 PolarHBondContact O-N 3.24Å; L480-P482 VanDerWaalsContact O-N 3.14Å
481	L	67.9	Low	76	Confident	122 Å²	122	71.2 Å²	71.2	64%	0.639	38%	0.383	S	S	*	.			trans	-45	122.1	173.7	-117.5	136.9	0	0	0	109	I478 D479 T483	I478-L481 PolarHBondContact O-N 3.44Å; D479-L481 PolarHBondContact O-N 3.27Å; D479-L481 VanDerWaalsContact O-N 3.07Å; L481-T483 VanDerWaalsContact C-N 3.29Å; L481-T483 PolarHBondContact O-N 3.25Å; L481-T483 PolarHBondContact O-OG1 2.95Å; L481-T483 VanDerWaalsContact O-OG1 3.1Å
482	P	58	Low	75.8	Confident	71 Å²	71	71.1 Å²	71.1	46%	0.461	38%	0.383	S	S	.	.			trans	-63.1	93.2	-172.5	21.1	-30.6	0	0	0	109.4	W443 L480 Q484	W443-P482 VanDerWaalsContact CH2-CD 3.48Å; W443-P482 HydrophobicContact CH2-CG 4.29Å; L480-P482 VanDerWaalsContact O-N 3.14Å; P482-Q484 VanDerWaalsContact C-N 3.33Å; P482-Q484 PolarHBondContact O-N 3.4Å
483	T	55.7	Low	75.5	Confident	132 Å²	132	74.4 Å²	74.4	81%	0.81	40%	0.404	S	S	*	.			trans	-77.8	92	177.2	-3	0	0	0	0	105.4	L481	L481-T483 VanDerWaalsContact C-N 3.29Å; L481-T483 PolarHBondContact O-N 3.25Å; L481-T483 PolarHBondContact O-OG1 2.95Å; L481-T483 VanDerWaalsContact O-OG1 3.1Å
484	Q	48.2	Very low	75.3	Confident	175 Å²	175	78.2 Å²	78.2	82%	0.818	43%	0.425	S	S	*	.	S	Bend	trans	50.5	115.2	166.6	-77.1	163.3	-7.1	0	0	116.8	P482	P482-Q484 VanDerWaalsContact C-N 3.33Å; P482-Q484 PolarHBondContact O-N 3.4Å
485	S	50.4	Low	75.1	Confident	113 Å²	113	85.6 Å²	85.6	79%	0.79	46%	0.457	S	S	*	.	S	Bend	trans	96.5	-32.6	142.5	60.3	0	0	0	0	123
486	N	51.3	Low	74.8	Confident	154 Å²	154	90.2 Å²	90.2	82%	0.824	47%	0.474	S	S	*	.	S	Bend	trans	-123.4	-3.5	-169.7	-73	-14.6	0	0	0	119.1
487	I	55.3	Low	74.7	Confident	125 Å²	125	90 Å²	90	64%	0.641	47%	0.473	S	S	*	.			trans	-135.2	114	178.2	-46.3	176.9	0	0	0	110	L489	I487-L489 HydrophobicContact CB-CG 4.36Å; I487-L489 HydrophobicContact CG2-CD2 3.79Å; I487-L489 HydrophobicContact CG2-CG 3.69Å; I487-L489 PolarHBondContact O-N 3.34Å
488	L	57.6	Low	74.7	Confident	165 Å²	165	91.8 Å²	91.8	86%	0.864	48%	0.484	S	S	*	.			trans	-70.7	68.7	169.6	-77.4	160.3	0	0	0	109.7	N490	L488-N490 PolarHBondContact O-N 2.95Å
489	L	65.2	Low	74.8	Confident	63 Å²	63	95 Å²	95	33%	0.33	50%	0.502	S	S	.	.			trans	-75.9	105.9	167.5	-66.9	-179.3	0	0	0	108.1	W443 I487	W443-L489 HydrophobicContact CD2-CB 4.21Å; W443-L489 HydrophobicContact CE3-CB 3.67Å; W443-L489 HydrophobicContact CG-CD1 4.43Å; W443-L489 HydrophobicContact CZ3-CB 4.24Å; W443-L489 WeakPolarHBondContact CZ3-O 3.41Å; I487-L489 HydrophobicContact CB-CG 4.36Å; I487-L489 HydrophobicContact CG2-CD2 3.79Å; I487-L489 HydrophobicContact CG2-CG 3.69Å; I487-L489 PolarHBondContact O-N 3.34Å
490	N	79.4	Confident	75.1	Confident	101 Å²	101	92.7 Å²	92.7	54%	0.54	49%	0.489	S	S	.	.			trans	-87.8	112.2	175.1	-72.7	-35.7	0	0	0	109.2	L488 V492	L488-N490 PolarHBondContact O-N 2.95Å; N490-V492 PolarHBondContact O-N 3.15Å
491	K	87.1	Confident	75.6	Confident	70 Å²	70	89.6 Å²	89.6	30%	0.304	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-50.6	139.1	169.9	-170.3	-174.4	171.3	-175.1	0	109.6	I442 W443 D494 E510	I442-K491 HydrophobicContact CD1-CD 4.39Å; I442-K491 VanDerWaalsContact CD1-CE 3.43Å; I442-K491 HydrophobicContact CD1-CG 4.41Å; I442-K491 HydrophobicContact CG1-CG 4Å; W443-K491 HydrophobicContact CE3-CB 4.14Å; W443-K491 HydrophobicContact CH2-CB 4.45Å; W443-K491 HydrophobicContact CZ3-CB 3.81Å; K491-D494 VanDerWaalsContact CE-OD1 3.3Å; K491-D494 WeakPolarHBondContact CE-OD1 3.31Å; K491-D494 IonicContact NZ-OD1 3.72Å; K491-D494 PolarHBondContact NZ-OD1 3.45Å; K491-D494 VanDerWaalsContact NZ-OD1 3.09Å; K491-E510 WeakPolarHBondContact CE-OE1 3.43Å; K491-E510 IonicContact NZ-OE1 3.16Å; K491-E510 PolarHBondContact NZ-OE1 3.45Å; K491-E510 IonicContact NZ-OE2 3.22Å; K491-E510 PolarHBondContact NZ-OE2 3.01Å
492	V	88.8	Confident	76.7	Confident	1 Å²	1	88.9 Å²	88.9	1%	0.006	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-56.8	131.7	172	179	0	0	0	0	109	F440 I442 K445 L448 N490 D494 I497	F440-V492 HydrophobicContact CE2-CG2 4.44Å; I442-V492 WeakPolarHBondContact O-CG2 3.45Å; I442-V492 PolarHBondContact O-N 3.1Å; K445-V492 HydrophobicContact CG-CG2 3.93Å; L448-V492 HydrophobicContact CD2-CG1 3.67Å; N490-V492 PolarHBondContact O-N 3.15Å; V492-D494 PolarHBondContact O-N 3.33Å; V492-I497 HydrophobicContact CB-CD1 4.25Å; V492-I497 HydrophobicContact CG1-CD1 4.22Å; V492-I497 HydrophobicContact CG1-CG1 3.96Å
493	P	89.2	Confident	78.2	Confident	69 Å²	69	89.2 Å²	89.2	45%	0.448	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-58.3	126.6	-178.4	-25.5	33.9	0	0	0	112.4	K495 R496 I497	P493-K495 PolarHBondContact O-N 3.41Å; P493-K495 VanDerWaalsContact O-N 3.1Å; P493-R496 WeakPolarHBondContact O-CB 3.47Å; P493-R496 PolarHBondContact O-N 3.31Å; P493-I497 PolarHBondContact O-N 3.39Å
494	D	89.9	Confident	79.6	Confident	81 Å²	81	83 Å²	83	43%	0.433	43%	0.429	S	S	.	.	H	α-helix	trans	-54.1	-36.2	-177.1	-61.9	-21	0	0	0	112.4	K491 V492 R496 I497 I498	K491-D494 VanDerWaalsContact CE-OD1 3.3Å; K491-D494 WeakPolarHBondContact CE-OD1 3.31Å; K491-D494 IonicContact NZ-OD1 3.72Å; K491-D494 PolarHBondContact NZ-OD1 3.45Å; K491-D494 VanDerWaalsContact NZ-OD1 3.09Å; V492-D494 PolarHBondContact O-N 3.33Å; D494-R496 VanDerWaalsContact C-N 3.31Å; D494-R496 PolarHBondContact O-N 3.24Å; D494-I497 WeakPolarHBondContact O-CB 3.32Å; D494-I497 PolarHBondContact O-N 3.33Å; D494-I497 VanDerWaalsContact O-N 3.15Å; D494-I498 VanDerWaalsContact O-CG1 3.27Å; D494-I498 WeakPolarHBondContact O-CG1 3.42Å; D494-I498 PolarHBondContact O-N 3.41Å
495	K	91.7	Very high	81.4	Confident	157 Å²	157	80.5 Å²	80.5	68%	0.683	42%	0.422	S	S	*	.	H	α-helix	trans	-54.3	-45.4	175.9	-173.7	178.2	178	-178	0	112.3	P493 I497 I498 D499	P493-K495 PolarHBondContact O-N 3.41Å; P493-K495 VanDerWaalsContact O-N 3.1Å; K495-I497 VanDerWaalsContact C-N 3.33Å; K495-I497 PolarHBondContact O-N 2.88Å; K495-I498 PolarHBondContact O-N 3.16Å; K495-D499 PolarHBondContact O-N 3.49Å
496	R	89.9	Confident	83.3	Confident	96 Å²	96	76 Å²	76	36%	0.362	39%	0.393	S	S	.	.	H	α-helix	trans	-66.9	-37.7	-179.1	-172.7	178	178.3	159.8	0.8	111.5	L448 E452 P493 D494 F500	L448-R496 HydrophobicContact CD2-CG 4.26Å; E452-R496 IonicContact OE1-CZ 2.69Å; E452-R496 IonicContact OE1-NE 3.09Å; E452-R496 PolarHBondContact OE1-NE 2.76Å; E452-R496 IonicContact OE1-NH2 2.78Å; E452-R496 IonicContact OE2-CZ 2.61Å; E452-R496 IonicContact OE2-NE 3.94Å; E452-R496 IonicContact OE2-NH2 3.76Å; E452-R496 PolarHBondContact OE2-NH2 3.06Å; P493-R496 WeakPolarHBondContact O-CB 3.47Å; P493-R496 PolarHBondContact O-N 3.31Å; D494-R496 VanDerWaalsContact C-N 3.31Å; D494-R496 PolarHBondContact O-N 3.24Å; R496-F500 PolarHBondContact O-N 3.35Å; R496-F500 VanDerWaalsContact O-N 3.09Å
497	I	92.1	Very high	85.4	Confident	1 Å²	1	69.9 Å²	69.9	1%	0.005	36%	0.361	C	S	.	.	H	α-helix	trans	-64.8	-46.7	176.9	-59.2	169.9	0	0	0	109.9	F440 L448 V492 P493 D494 K495 D499 F500 V501 F508	F440-I497 HydrophobicContact CE2-CD1 4.28Å; F440-I497 HydrophobicContact CE2-CG1 4.49Å; F440-I497 HydrophobicContact CZ-CD1 3.88Å; F440-I497 HydrophobicContact CZ-CG1 4.01Å; F440-I497 HydrophobicContact CZ-CG2 4.3Å; L448-I497 HydrophobicContact CD2-CG1 4.25Å; V492-I497 HydrophobicContact CB-CD1 4.25Å; V492-I497 HydrophobicContact CG1-CD1 4.22Å; V492-I497 HydrophobicContact CG1-CG1 3.96Å; P493-I497 PolarHBondContact O-N 3.39Å; D494-I497 WeakPolarHBondContact O-CB 3.32Å; D494-I497 PolarHBondContact O-N 3.33Å; D494-I497 VanDerWaalsContact O-N 3.15Å; K495-I497 VanDerWaalsContact C-N 3.33Å; K495-I497 PolarHBondContact O-N 2.88Å; I497-D499 PolarHBondContact O-N 3.19Å; I497-F500 PolarHBondContact O-N 2.92Å; I497-V501 HydrophobicContact CG2-CG2 4.19Å; I497-V501 WeakPolarHBondContact O-CB 3.31Å; I497-V501 WeakPolarHBondContact O-CG2 3.49Å; I497-V501 PolarHBondContact O-N 2.91Å; I497-F508 HydrophobicContact CD1-CZ 4.07Å; I497-F508 HydrophobicContact CG2-CD1 3.98Å; I497-F508 HydrophobicContact CG2-CD2 3.53Å; I497-F508 HydrophobicContact CG2-CE1 3.89Å; I497-F508 HydrophobicContact CG2-CE2 3.45Å; I497-F508 VanDerWaalsContact CG2-CE2 3.45Å; I497-F508 HydrophobicContact CG2-CG 3.81Å; I497-F508 HydrophobicContact CG2-CZ 3.63Å
498	I	93	Very high	87.3	Confident	88 Å²	88	66.6 Å²	66.6	45%	0.451	34%	0.342	S	S	.	.	H	α-helix	trans	-60.9	-46	179	-67.5	162.8	0	0	0	110.7	D494 K495 F500 V501 N502	D494-I498 VanDerWaalsContact O-CG1 3.27Å; D494-I498 WeakPolarHBondContact O-CG1 3.42Å; D494-I498 PolarHBondContact O-N 3.41Å; K495-I498 PolarHBondContact O-N 3.16Å; I498-F500 VanDerWaalsContact C-N 3.34Å; I498-F500 PolarHBondContact O-N 3.38Å; I498-V501 PolarHBondContact O-N 3.37Å; I498-N502 WeakPolarHBondContact CG2-ND2 3.4Å; I498-N502 WeakPolarHBondContact O-CB 3.5Å; I498-N502 PolarHBondContact O-N 2.86Å; I498-N502 PolarHBondContact O-ND2 2.99Å
499	D	92.2	Very high	89.1	Confident	83 Å²	83	60.8 Å²	60.8	44%	0.444	31%	0.31	S	S	.	.	H	α-helix	trans	-57.7	-47.2	177.5	-67	-21.8	0	0	0	110.8	K495 I497 V501 N502 D503	K495-D499 PolarHBondContact O-N 3.49Å; I497-D499 PolarHBondContact O-N 3.19Å; D499-V501 PolarHBondContact O-N 2.89Å; D499-N502 PolarHBondContact O-N 3.24Å; D499-D503 PolarHBondContact O-N 3.3Å
500	F	92	Very high	90.5	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.018	31%	0.307	C	S	.	.	H	α-helix	trans	-64.2	-39.9	177.7	-179.8	-122.5	0	0	0	113.4	L438 L448 L451 E452 Y455 V473 R496 I497 I498 D503 L504	L438-F500 HydrophobicContact CD1-CE1 4.09Å; L438-F500 HydrophobicContact CD1-CZ 3.97Å; L448-F500 HydrophobicContact CD1-CD1 3.81Å; L448-F500 HydrophobicContact CD1-CE1 4.1Å; L451-F500 HydrophobicContact CB-CE1 4.35Å; L451-F500 HydrophobicContact CB-CZ 4.24Å; E452-F500 HydrophobicContact CB-CD2 4.5Å; E452-F500 HydrophobicContact CB-CE2 4.23Å; E452-F500 HydrophobicContact CG-CD2 3.68Å; E452-F500 HydrophobicContact CG-CE2 3.81Å; E452-F500 HydrophobicContact CG-CG 4.12Å; E452-F500 HydrophobicContact CG-CZ 4.34Å; Y455-F500 AromaticContact CD1-CE2 3.96Å; Y455-F500 HydrophobicContact CD1-CE2 3.96Å; Y455-F500 HydrophobicContact CG-CE2 4.3Å; V473-F500 HydrophobicContact CG1-CD1 4.49Å; V473-F500 HydrophobicContact CG1-CE1 4.47Å; V473-F500 HydrophobicContact CG2-CD1 4.43Å; V473-F500 HydrophobicContact CG2-CE1 4.27Å; R496-F500 PolarHBondContact O-N 3.35Å; R496-F500 VanDerWaalsContact O-N 3.09Å; I497-F500 PolarHBondContact O-N 2.92Å; I498-F500 VanDerWaalsContact C-N 3.34Å; I498-F500 PolarHBondContact O-N 3.38Å; F500-D503 WeakPolarHBondContact O-CB 3.33Å; F500-D503 PolarHBondContact O-N 3.45Å; F500-L504 HydrophobicContact CD1-CD1 3.93Å; F500-L504 HydrophobicContact CD2-CD1 4.29Å; F500-L504 HydrophobicContact CE1-CD1 3.54Å; F500-L504 HydrophobicContact CE2-CD1 3.92Å; F500-L504 HydrophobicContact CE2-CG 4.37Å; F500-L504 HydrophobicContact CG-CD1 4.31Å; F500-L504 HydrophobicContact CZ-CD1 3.55Å; F500-L504 HydrophobicContact CZ-CG 4.41Å; F500-L504 WeakPolarHBondContact O-CG 3.45Å; F500-L504 PolarHBondContact O-N 3.35Å
501	V	92.5	Very high	91.3	Very high	11 Å²	11	55.7 Å²	55.7	7%	0.067	28%	0.282	C	S	.	.	H	α-helix	trans	-69.5	-36.8	179.9	173.1	0	0	0	0	111.3	V473 I497 I498 D499 L504 D505 G506 F508	V473-V501 HydrophobicContact CB-CG2 3.91Å; V473-V501 HydrophobicContact CG1-CG2 4.35Å; V473-V501 HydrophobicContact CG2-CG2 3.84Å; I497-V501 HydrophobicContact CG2-CG2 4.19Å; I497-V501 WeakPolarHBondContact O-CB 3.31Å; I497-V501 WeakPolarHBondContact O-CG2 3.49Å; I497-V501 PolarHBondContact O-N 2.91Å; I498-V501 PolarHBondContact O-N 3.37Å; D499-V501 PolarHBondContact O-N 2.89Å; V501-L504 PolarHBondContact O-N 2.98Å; V501-D505 PolarHBondContact O-N 3.1Å; V501-D505 VanDerWaalsContact O-N 3.15Å; V501-G506 PolarHBondContact O-N 2.92Å; V501-F508 HydrophobicContact CG1-CB 4.17Å; V501-F508 HydrophobicContact CG2-CB 3.78Å; V501-F508 HydrophobicContact CG2-CD2 4.37Å; V501-F508 HydrophobicContact CG2-CG 4.31Å
502	N	91.9	Very high	91.6	Very high	107 Å²	107	52.4 Å²	52.4	57%	0.572	27%	0.267	S	S	*	.	H	α-helix	trans	-65.5	-41.6	174.4	-70.9	-24.8	0	0	0	111.2	I498 D499 L504 D505	I498-N502 WeakPolarHBondContact CG2-ND2 3.4Å; I498-N502 WeakPolarHBondContact O-CB 3.5Å; I498-N502 PolarHBondContact O-N 2.86Å; I498-N502 PolarHBondContact O-ND2 2.99Å; D499-N502 PolarHBondContact O-N 3.24Å; N502-L504 PolarHBondContact O-N 3.25Å; N502-D505 PolarHBondContact O-N 2.81Å
503	D	88.2	Confident	91.6	Very high	78 Å²	78	52.6 Å²	52.6	42%	0.417	27%	0.269	S	S	.	.	H	α-helix	trans	-60.9	-28.2	174.9	-89.4	6.1	0	0	0	113.5	Y455 Y456 D499 F500	Y455-D503 HydrophobicContact CE1-CB 4.42Å; Y455-D503 PolarHBondContact OH-O 3.08Å; Y456-D503 PolarHBondContact OH-OD2 3.48Å; D499-D503 PolarHBondContact O-N 3.3Å; F500-D503 WeakPolarHBondContact O-CB 3.33Å; F500-D503 PolarHBondContact O-N 3.45Å
504	L	85.7	Confident	91.6	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-85.7	-15.8	176.5	-77.5	163.6	0	0	0	113.6	L438 Y455 Y471 V473 F500 V501 N502 G506	L438-L504 HydrophobicContact CD1-CD1 3.7Å; L438-L504 HydrophobicContact CD1-CD2 4.22Å; Y455-L504 HydrophobicContact CD1-CD2 3.91Å; Y455-L504 HydrophobicContact CD1-CG 4.22Å; Y455-L504 HydrophobicContact CD2-CD2 3.31Å; Y455-L504 HydrophobicContact CD2-CG 4.44Å; Y455-L504 HydrophobicContact CE1-CD2 3.79Å; Y455-L504 HydrophobicContact CE1-CG 4Å; Y455-L504 HydrophobicContact CE2-CD2 3.21Å; Y455-L504 HydrophobicContact CE2-CG 4.28Å; Y455-L504 HydrophobicContact CG-CD2 3.65Å; Y455-L504 HydrophobicContact CG-CG 4.4Å; Y455-L504 VanDerWaalsContact CZ-CD2 3.43Å; Y471-L504 HydrophobicContact CD1-CD2 3.72Å; Y471-L504 HydrophobicContact CD2-CD2 4.25Å; Y471-L504 HydrophobicContact CE1-CD2 4.06Å; Y471-L504 HydrophobicContact CG-CB 4.48Å; Y471-L504 HydrophobicContact CG-CD2 3.81Å; V473-L504 HydrophobicContact CG2-CD1 3.58Å; F500-L504 HydrophobicContact CD1-CD1 3.93Å; F500-L504 HydrophobicContact CD2-CD1 4.29Å; F500-L504 HydrophobicContact CE1-CD1 3.54Å; F500-L504 HydrophobicContact CE2-CD1 3.92Å; F500-L504 HydrophobicContact CE2-CG 4.37Å; F500-L504 HydrophobicContact CG-CD1 4.31Å; F500-L504 HydrophobicContact CZ-CD1 3.55Å; F500-L504 HydrophobicContact CZ-CG 4.41Å; F500-L504 WeakPolarHBondContact O-CG 3.45Å; F500-L504 PolarHBondContact O-N 3.35Å; V501-L504 PolarHBondContact O-N 2.98Å; N502-L504 PolarHBondContact O-N 3.25Å; L504-G506 PolarHBondContact O-N 2.83Å
505	D	87	Confident	91.5	Very high	124 Å²	124	56.1 Å²	56.1	66%	0.663	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	43.5	-164.8	-174.4	32.1	0	0	0	110.7	K468 V501 N502	K468-D505 IonicContact NZ-OD2 3.66Å; K468-D505 PolarHBondContact NZ-OD2 2.88Å; V501-D505 PolarHBondContact O-N 3.1Å; V501-D505 VanDerWaalsContact O-N 3.15Å; N502-D505 PolarHBondContact O-N 2.81Å
506	G	89.7	Confident	91.3	Very high	17 Å²	17	49.3 Å²	49.3	18%	0.175	26%	0.255	C	S	.	.			trans	-103.6	-166.3	-169.1	0	0	0	0	0	114.9	Y471 V501 L504	Y471-G506 VanDerWaalsContact O-CA 3.23Å; Y471-G506 WeakPolarHBondContact O-CA 3.39Å; V501-G506 PolarHBondContact O-N 2.92Å; L504-G506 PolarHBondContact O-N 2.83Å
507	T	94.2	Very high	91.4	Very high	27 Å²	27	49.6 Å²	49.6	17%	0.166	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	144.2	168.4	6	0	0	0	0	109.6	Y471 M472 V473 F509 V525 K529	Y471-T507 PolarHBondContact O-N 3.02Å; M472-T507 CarbonylContact C-O 3.59Å; M472-T507 WeakPolarHBondContact CA-O 3.42Å; V473-T507 PolarHBondContact N-O 3.27Å; T507-F509 HydrophobicContact CG2-CE2 4.37Å; T507-V525 HydrophobicContact CG2-CG1 4.46Å; T507-K529 HydrophobicContact CG2-CD 4.47Å; T507-K529 PolarHBondContact OG1-NZ 3.33Å
508	F	95.8	Very high	91.4	Very high	55 Å²	55	52.3 Å²	52.3	24%	0.241	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.1	178	178.4	-116	0	0	0	111.5	F440 V473 I497 V501 E510	F440-F508 AromaticContact CE1-CE2 3.87Å; F440-F508 HydrophobicContact CE1-CE2 3.87Å; F440-F508 AromaticContact CZ-CE2 3.9Å; F440-F508 HydrophobicContact CZ-CE2 3.9Å; F440-F508 HydrophobicContact CZ-CZ 4.42Å; V473-F508 HydrophobicContact CB-CD2 4.21Å; V473-F508 HydrophobicContact CG1-CD2 4.16Å; V473-F508 VanDerWaalsContact O-CA 3.31Å; V473-F508 WeakPolarHBondContact O-CA 3.32Å; V473-F508 WeakPolarHBondContact O-CD2 3.5Å; I497-F508 HydrophobicContact CD1-CZ 4.07Å; I497-F508 HydrophobicContact CG2-CD1 3.98Å; I497-F508 HydrophobicContact CG2-CD2 3.53Å; I497-F508 HydrophobicContact CG2-CE1 3.89Å; I497-F508 HydrophobicContact CG2-CE2 3.45Å; I497-F508 VanDerWaalsContact CG2-CE2 3.45Å; I497-F508 HydrophobicContact CG2-CG 3.81Å; I497-F508 HydrophobicContact CG2-CZ 3.63Å; V501-F508 HydrophobicContact CG1-CB 4.17Å; V501-F508 HydrophobicContact CG2-CB 3.78Å; V501-F508 HydrophobicContact CG2-CD2 4.37Å; V501-F508 HydrophobicContact CG2-CG 4.31Å; F508-E510 HydrophobicContact CE1-CG 3.57Å; F508-E510 HydrophobicContact CZ-CG 3.52Å
509	F	96.4	Very high	91.4	Very high	43 Å²	43	48.1 Å²	48.1	19%	0.189	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	140.5	168.3	-75.2	-90.8	0	0	0	110.4	M472 V473 L474 G475 T507 I511 A522 V525	M472-F509 HydrophobicContact SD-CD2 4.17Å; V473-F509 PolarHBondContact O-N 2.92Å; V473-F509 VanDerWaalsContact O-N 3.08Å; L474-F509 WeakPolarHBondContact CA-O 3.5Å; L474-F509 HydrophobicContact CD2-CB 3.78Å; G475-F509 PolarHBondContact N-O 3.45Å; T507-F509 HydrophobicContact CG2-CE2 4.37Å; F509-I511 HydrophobicContact CB-CG2 4.16Å; F509-A522 HydrophobicContact CB-CB 3.79Å; F509-A522 HydrophobicContact CD1-CB 4.05Å; F509-A522 HydrophobicContact CD2-CB 3.88Å; F509-A522 HydrophobicContact CG-CB 3.62Å; F509-V525 HydrophobicContact CE2-CB 4.04Å; F509-V525 HydrophobicContact CE2-CG1 3.94Å; F509-V525 HydrophobicContact CE2-CG2 4.46Å; F509-V525 HydrophobicContact CZ-CB 3.9Å; F509-V525 HydrophobicContact CZ-CG1 4Å; F509-V525 HydrophobicContact CZ-CG2 3.81Å
510	E	94.5	Very high	91.3	Very high	57 Å²	57	46.5 Å²	46.5	27%	0.266	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	126	166.3	-62	-171.6	-176.8	0	0	108.5	I442 G475 I478 K491 F508 N518	I442-E510 HydrophobicContact CD1-CB 4.37Å; I442-E510 HydrophobicContact CD1-CG 3.74Å; G475-E510 CarbonylContact O-C 3.45Å; G475-E510 WeakPolarHBondContact O-CA 3.27Å; I478-E510 HydrophobicContact CG2-CB 3.81Å; K491-E510 WeakPolarHBondContact CE-OE1 3.43Å; K491-E510 IonicContact NZ-OE1 3.16Å; K491-E510 PolarHBondContact NZ-OE1 3.45Å; K491-E510 IonicContact NZ-OE2 3.22Å; K491-E510 PolarHBondContact NZ-OE2 3.01Å; F508-E510 HydrophobicContact CE1-CG 3.57Å; F508-E510 HydrophobicContact CZ-CG 3.52Å; E510-N518 WeakPolarHBondContact O-CB 3.34Å; E510-N518 PolarHBondContact O-ND2 2.99Å
511	I	95	Very high	91.3	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	158.9	-175.6	64	152.2	0	0	0	111.5	L356 L474 G475 N476 K477 I478 F509 E517 N518 V519 A522	L356-I511 HydrophobicContact CD1-CD1 3.9Å; L474-I511 HydrophobicContact CB-CD1 4.26Å; L474-I511 HydrophobicContact CB-CG1 4.24Å; L474-I511 HydrophobicContact CD1-CD1 3.9Å; L474-I511 HydrophobicContact CD2-CG2 4.26Å; G475-I511 PolarHBondContact O-N 3.42Å; N476-I511 CarbonylContact C-O 3.56Å; N476-I511 VanDerWaalsContact CA-O 3.29Å; N476-I511 WeakPolarHBondContact CA-O 3.39Å; N476-I511 HydrophobicContact CB-CG1 4.24Å; N476-I511 PolarHBondContact OD1-O 3.45Å; K477-I511 PolarHBondContact N-O 3.24Å; K477-I511 VanDerWaalsContact N-O 3.11Å; I478-I511 PolarHBondContact N-O 2.89Å; F509-I511 HydrophobicContact CB-CG2 4.16Å; I511-E517 WeakPolarHBondContact CA-O 3.49Å; I511-N518 HydrophobicContact CG2-CB 3.97Å; I511-V519 HydrophobicContact CB-CG2 4.1Å; I511-V519 HydrophobicContact CD1-CG2 4.15Å; I511-A522 HydrophobicContact CG2-CB 4.17Å
512	S	93.3	Very high	91.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.267	C	S	.	.			trans	-117.7	112.4	157.5	175.4	0	0	0	0	109	D479 K514 S515 G516 E517 V519	D479-S512 VanDerWaalsContact CG-OG 3.25Å; D479-S512 WeakPolarHBondContact OD1-CB 3.19Å; D479-S512 PolarHBondContact OD1-OG 2.77Å; S512-K514 PolarHBondContact O-N 2.84Å; S512-K514 PolarHBondContact OG-N 3.13Å; S512-S515 WeakPolarHBondContact CB-OG 3.43Å; S512-S515 PolarHBondContact OG-N 3.45Å; S512-S515 PolarHBondContact OG-OG 3.49Å; S512-G516 CarbonylContact O-C 3.54Å; S512-G516 WeakPolarHBondContact O-CA 3.29Å; S512-G516 PolarHBondContact O-N 3.26Å; S512-E517 PolarHBondContact N-O 3.34Å; S512-E517 PolarHBondContact O-N 3.37Å; S512-V519 WeakPolarHBondContact O-CG2 3.26Å
513	A	90.4	Very high	91.5	Very high	6 Å²	6	46.7 Å²	46.7	5%	0.05	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-19.1	169.9	0	0	0	0	0	112.6	A355 L356 N476	A355-A513 HydrophobicContact CB-CB 3.87Å; L356-A513 HydrophobicContact CB-CB 4.22Å; N476-A513 PolarHBondContact OD1-N 2.9Å
514	K	88.9	Confident	91.7	Very high	165 Å²	165	44.3 Å²	44.3	72%	0.717	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-56.8	-179.8	-173.5	-174.9	177.2	-171.7	0	111.8	D479 S512 G516	D479-K514 WeakPolarHBondContact OD2-CD 3.39Å; S512-K514 PolarHBondContact O-N 2.84Å; S512-K514 PolarHBondContact OG-N 3.13Å; K514-G516 VanDerWaalsContact C-N 3.32Å
515	S	87.1	Confident	92.1	Very high	59 Å²	59	45.9 Å²	45.9	41%	0.413	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-24.8	177.7	70.6	0	0	0	0	112	R359 S512 E517	R359-S515 PolarHBondContact NH2-O 3.01Å; S512-S515 WeakPolarHBondContact CB-OG 3.43Å; S512-S515 PolarHBondContact OG-N 3.45Å; S512-S515 PolarHBondContact OG-OG 3.49Å; S515-E517 VanDerWaalsContact C-N 3.33Å; S515-E517 VanDerWaalsContact OG-CB 3.28Å; S515-E517 WeakPolarHBondContact OG-CB 3.3Å; S515-E517 PolarHBondContact OG-N 2.79Å
516	G	87.7	Confident	92.5	Very high	14 Å²	14	40 Å²	40	14%	0.144	21%	0.206	C	C	.	.			trans	84.9	5.1	-173	0	0	0	0	0	114.2	S512 K514 N518 V519	S512-G516 CarbonylContact O-C 3.54Å; S512-G516 WeakPolarHBondContact O-CA 3.29Å; S512-G516 PolarHBondContact O-N 3.26Å; K514-G516 VanDerWaalsContact C-N 3.32Å; G516-N518 PolarHBondContact O-N 3.45Å; G516-V519 PolarHBondContact O-N 2.97Å
517	E	91.6	Very high	92.6	Very high	102 Å²	102	39.2 Å²	39.2	48%	0.477	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	132.2	176.5	-173.1	174.8	178.3	0	0	111	I478 I511 S512 S515 V519	I478-E517 HydrophobicContact CD1-CB 4.08Å; I478-E517 VanDerWaalsContact CD1-CD 3.5Å; I478-E517 HydrophobicContact CD1-CG 3.77Å; I511-E517 WeakPolarHBondContact CA-O 3.49Å; S512-E517 PolarHBondContact N-O 3.34Å; S512-E517 PolarHBondContact O-N 3.37Å; S515-E517 VanDerWaalsContact C-N 3.33Å; S515-E517 VanDerWaalsContact OG-CB 3.28Å; S515-E517 WeakPolarHBondContact OG-CB 3.3Å; S515-E517 PolarHBondContact OG-N 2.79Å; E517-V519 PolarHBondContact O-N 2.94Å
518	N	92.6	Very high	92.5	Very high	57 Å²	57	43.4 Å²	43.4	31%	0.305	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	-0.3	-177.3	-61.1	-13.5	0	0	0	116.9	E510 I511 G516 Q520 A522	E510-N518 WeakPolarHBondContact O-CB 3.34Å; E510-N518 PolarHBondContact O-ND2 2.99Å; I511-N518 HydrophobicContact CG2-CB 3.97Å; G516-N518 PolarHBondContact O-N 3.45Å; N518-Q520 PolarHBondContact O-N 3.24Å; N518-A522 VanDerWaalsContact O-CB 3.28Å; N518-A522 WeakPolarHBondContact O-CB 3.41Å; N518-A522 PolarHBondContact O-N 2.98Å
519	V	92.1	Very high	92.3	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-63.6	-44.6	-178.6	174	0	0	0	0	111.2	L356 L360 I511 S512 G516 E517 I523	L356-V519 HydrophobicContact CD1-CG1 3.67Å; L356-V519 HydrophobicContact CD1-CG2 4.22Å; L360-V519 HydrophobicContact CD2-CG1 3.9Å; I511-V519 HydrophobicContact CB-CG2 4.1Å; I511-V519 HydrophobicContact CD1-CG2 4.15Å; S512-V519 WeakPolarHBondContact O-CG2 3.26Å; G516-V519 PolarHBondContact O-N 2.97Å; E517-V519 PolarHBondContact O-N 2.94Å; V519-I523 WeakPolarHBondContact O-CG1 3.17Å; V519-I523 PolarHBondContact O-N 3.47Å
520	Q	90.2	Very high	92.1	Very high	49 Å²	49	42 Å²	42	23%	0.229	20%	0.204	C	C	.	.	H	α-helix	trans	-67.2	-46.1	-177.4	-66.4	-63.2	-3.7	0	0	111.9	N363 N518 A522 I523 D524	N363-Q520 PolarHBondContact ND2-NE2 3.43Å; N518-Q520 PolarHBondContact O-N 3.24Å; Q520-A522 PolarHBondContact O-N 2.91Å; Q520-I523 PolarHBondContact O-N 3.22Å; Q520-D524 WeakPolarHBondContact O-CB 3.46Å; Q520-D524 VanDerWaalsContact O-CG 3.23Å; Q520-D524 PolarHBondContact O-N 2.93Å
521	E	93.2	Very high	91.9	Very high	122 Å²	122	41.6 Å²	41.6	57%	0.57	20%	0.202	S	C	*	.	H	α-helix	trans	-62.2	-42.7	179	-61	-176.2	172.1	0	0	111.9	I523 D524 V525	E521-I523 PolarHBondContact O-N 2.81Å; E521-D524 PolarHBondContact O-N 2.91Å; E521-V525 WeakPolarHBondContact O-CG2 3.5Å; E521-V525 PolarHBondContact O-N 3.14Å
522	A	94.1	Very high	91.6	Very high	1 Å²	1	46 Å²	46	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-45.7	177.1	0	0	0	0	0	111.9	M472 L474 F509 I511 N518 Q520 F526	M472-A522 HydrophobicContact SD-CB 4.44Å; L474-A522 HydrophobicContact CD2-CB 4.08Å; F509-A522 HydrophobicContact CB-CB 3.79Å; F509-A522 HydrophobicContact CD1-CB 4.05Å; F509-A522 HydrophobicContact CD2-CB 3.88Å; F509-A522 HydrophobicContact CG-CB 3.62Å; I511-A522 HydrophobicContact CG2-CB 4.17Å; N518-A522 VanDerWaalsContact O-CB 3.28Å; N518-A522 WeakPolarHBondContact O-CB 3.41Å; N518-A522 PolarHBondContact O-N 2.98Å; Q520-A522 PolarHBondContact O-N 2.91Å; A522-F526 WeakPolarHBondContact O-CB 3.4Å; A522-F526 PolarHBondContact O-N 2.9Å
523	I	93.2	Very high	91.3	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-66.1	-39	177.6	-66.1	-61.3	0	0	0	111.5	L360 Y393 I404 F406 I437 M472 V519 Q520 E521 F526 L527	L360-I523 HydrophobicContact CD1-CD1 4.24Å; L360-I523 HydrophobicContact CD1-CG1 4.45Å; L360-I523 HydrophobicContact CD2-CG1 3.92Å; Y393-I523 HydrophobicContact CE1-CG2 4.06Å; I404-I523 HydrophobicContact CD1-CG2 4.43Å; F406-I523 HydrophobicContact CZ-CD1 4.27Å; I437-I523 HydrophobicContact CD1-CD1 4.36Å; M472-I523 HydrophobicContact CE-CD1 4.38Å; V519-I523 WeakPolarHBondContact O-CG1 3.17Å; V519-I523 PolarHBondContact O-N 3.47Å; Q520-I523 PolarHBondContact O-N 3.22Å; E521-I523 PolarHBondContact O-N 2.81Å; I523-F526 WeakPolarHBondContact O-CB 3.26Å; I523-F526 PolarHBondContact O-N 2.89Å; I523-L527 HydrophobicContact CG2-CD1 4.03Å; I523-L527 HydrophobicContact CG2-CG 4.25Å; I523-L527 WeakPolarHBondContact O-CB 3.38Å; I523-L527 WeakPolarHBondContact O-CG 3.28Å; I523-L527 PolarHBondContact O-N 3.38Å
524	D	92.9	Very high	91	Very high	28 Å²	28	48.7 Å²	48.7	15%	0.15	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-40.1	179.4	-74.1	-14.8	0	0	0	112.8	R395 L397 Q520 E521 R528	R395-D524 WeakPolarHBondContact CD-OD1 3.39Å; R395-D524 IonicContact CZ-OD1 3.4Å; R395-D524 IonicContact CZ-OD2 3.89Å; R395-D524 IonicContact NE-OD1 3.93Å; R395-D524 PolarHBondContact NE-OD1 3.26Å; R395-D524 IonicContact NE-OD2 2.96Å; R395-D524 IonicContact NH2-OD1 2.64Å; R395-D524 PolarHBondContact NH2-OD1 2.9Å; R395-D524 VanDerWaalsContact NH2-OD1 3.16Å; R395-D524 IonicContact NH2-OD2 3.96Å; R395-D524 PolarHBondContact NH2-OD2 3.39Å; L397-D524 HydrophobicContact CD1-CB 3.51Å; L397-D524 WeakPolarHBondContact CD1-OD1 3.35Å; Q520-D524 WeakPolarHBondContact O-CB 3.46Å; Q520-D524 VanDerWaalsContact O-CG 3.23Å; Q520-D524 PolarHBondContact O-N 2.93Å; E521-D524 PolarHBondContact O-N 2.91Å; D524-R528 WeakPolarHBondContact O-CG 3.31Å; D524-R528 PolarHBondContact O-N 3.33Å; D524-R528 VanDerWaalsContact O-N 3.15Å; D524-R528 PolarHBondContact O-NE 3.42Å
525	V	94.3	Very high	90.8	Very high	34 Å²	34	44.3 Å²	44.3	21%	0.206	23%	0.228	C	C	.	.	H	α-helix	trans	-66.3	-42.1	173.3	172	0	0	0	0	110.6	T507 F509 E521 R528 K529	T507-V525 HydrophobicContact CG2-CG1 4.46Å; F509-V525 HydrophobicContact CE2-CB 4.04Å; F509-V525 HydrophobicContact CE2-CG1 3.94Å; F509-V525 HydrophobicContact CE2-CG2 4.46Å; F509-V525 HydrophobicContact CZ-CB 3.9Å; F509-V525 HydrophobicContact CZ-CG1 4Å; F509-V525 HydrophobicContact CZ-CG2 3.81Å; E521-V525 WeakPolarHBondContact O-CG2 3.5Å; E521-V525 PolarHBondContact O-N 3.14Å; V525-R528 VanDerWaalsContact CG2-NH2 3.33Å; V525-R528 PolarHBondContact O-N 3.34Å; V525-K529 PolarHBondContact O-N 3.37Å
526	F	94.7	Very high	90.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-44.2	177.9	-170.1	-118	0	0	0	112.7	V343 I437 I470 M472 A522 I523 K529 L530	V343-F526 HydrophobicContact CB-CE1 4.43Å; V343-F526 HydrophobicContact CG1-CE1 3.76Å; V343-F526 HydrophobicContact CG1-CZ 4.13Å; V343-F526 HydrophobicContact CG2-CE1 3.73Å; V343-F526 HydrophobicContact CG2-CZ 4.41Å; I437-F526 HydrophobicContact CD1-CD1 4.13Å; I437-F526 HydrophobicContact CD1-CE1 3.87Å; I437-F526 HydrophobicContact CD1-CZ 4.28Å; I437-F526 HydrophobicContact CG1-CD1 4.49Å; I437-F526 HydrophobicContact CG1-CE1 3.91Å; I437-F526 HydrophobicContact CG1-CE2 4.32Å; I437-F526 HydrophobicContact CG1-CZ 3.8Å; I470-F526 HydrophobicContact CB-CE2 4.36Å; I470-F526 HydrophobicContact CG2-CD2 4.42Å; I470-F526 HydrophobicContact CG2-CE2 4.04Å; M472-F526 HydrophobicContact CB-CD2 3.63Å; M472-F526 HydrophobicContact CB-CE2 3.75Å; M472-F526 HydrophobicContact CE-CB 3.68Å; M472-F526 HydrophobicContact CE-CD1 4.2Å; M472-F526 HydrophobicContact CE-CD2 3.94Å; M472-F526 HydrophobicContact CE-CG 3.69Å; M472-F526 HydrophobicContact CG-CD2 4.4Å; M472-F526 HydrophobicContact SD-CB 3.75Å; M472-F526 HydrophobicContact SD-CD2 3.95Å; M472-F526 HydrophobicContact SD-CG 4.06Å; A522-F526 WeakPolarHBondContact O-CB 3.4Å; A522-F526 PolarHBondContact O-N 2.9Å; I523-F526 WeakPolarHBondContact O-CB 3.26Å; I523-F526 PolarHBondContact O-N 2.89Å; F526-K529 WeakPolarHBondContact O-CB 3.42Å; F526-K529 PolarHBondContact O-N 2.94Å; F526-L530 HydrophobicContact CD1-CD1 3.77Å; F526-L530 HydrophobicContact CD1-CG 4.48Å; F526-L530 HydrophobicContact CE1-CD1 3.59Å; F526-L530 HydrophobicContact CE1-CG 4.31Å; F526-L530 HydrophobicContact CZ-CD1 4.18Å; F526-L530 HydrophobicContact CZ-CG 4.48Å; F526-L530 WeakPolarHBondContact O-CG 3.12Å; F526-L530 PolarHBondContact O-N 3.44Å
527	L	92.4	Very high	89.9	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.2	-44	177.2	-78	178.6	0	0	0	112.5	R395 Y402 I404 I523 K529 L530 K531	R395-L527 HydrophobicContact CB-CD1 4.37Å; Y402-L527 HydrophobicContact CD1-CB 4.32Å; Y402-L527 HydrophobicContact CD1-CD2 3.64Å; Y402-L527 HydrophobicContact CD1-CG 4.38Å; Y402-L527 HydrophobicContact CD2-CD1 4.13Å; Y402-L527 HydrophobicContact CE1-CB 4.25Å; Y402-L527 HydrophobicContact CE1-CD2 4.32Å; Y402-L527 HydrophobicContact CG-CD1 3.99Å; Y402-L527 HydrophobicContact CG-CD2 3.85Å; Y402-L527 HydrophobicContact CG-CG 4.35Å; I404-L527 HydrophobicContact CD1-CD1 4.17Å; I404-L527 HydrophobicContact CD1-CD2 3.33Å; I404-L527 HydrophobicContact CD1-CG 3.95Å; I404-L527 HydrophobicContact CG1-CD2 3.76Å; I523-L527 HydrophobicContact CG2-CD1 4.03Å; I523-L527 HydrophobicContact CG2-CG 4.25Å; I523-L527 WeakPolarHBondContact O-CB 3.38Å; I523-L527 WeakPolarHBondContact O-CG 3.28Å; I523-L527 PolarHBondContact O-N 3.38Å; L527-K529 VanDerWaalsContact C-N 3.3Å; L527-K529 PolarHBondContact O-N 3.12Å; L527-L530 HydrophobicContact CD2-CD1 4.4Å; L527-L530 PolarHBondContact O-N 3.28Å; L527-K531 PolarHBondContact O-N 2.89Å
528	R	92.6	Very high	88.9	Confident	115 Å²	115	49.8 Å²	49.8	43%	0.434	25%	0.247	S	C	.	.	H	α-helix	trans	-60.4	-41	175	-76.2	-178	-74.7	161.8	-9.2	111.5	L397 D524 V525 K531 L532	L397-R528 HydrophobicContact CD2-CG 3.7Å; D524-R528 WeakPolarHBondContact O-CG 3.31Å; D524-R528 PolarHBondContact O-N 3.33Å; D524-R528 VanDerWaalsContact O-N 3.15Å; D524-R528 PolarHBondContact O-NE 3.42Å; V525-R528 VanDerWaalsContact CG2-NH2 3.33Å; V525-R528 PolarHBondContact O-N 3.34Å; R528-K531 PolarHBondContact O-N 2.96Å; R528-L532 VanDerWaalsContact O-CG 3.31Å; R528-L532 WeakPolarHBondContact O-CG 3.42Å; R528-L532 PolarHBondContact O-N 2.89Å
529	K	92	Very high	87.4	Confident	66 Å²	66	52.8 Å²	52.8	29%	0.287	26%	0.259	S	S	.	.	H	α-helix	trans	-62.9	-44.7	174.5	-76.9	-171	168.1	-165.9	0	112.4	I470 T507 V525 F526 L527 K531 L532 A533	I470-K529 HydrophobicContact CD1-CB 3.98Å; I470-K529 WeakPolarHBondContact CD1-O 3.26Å; I470-K529 HydrophobicContact CG2-CB 4.24Å; I470-K529 HydrophobicContact CG2-CD 4.32Å; T507-K529 HydrophobicContact CG2-CD 4.47Å; T507-K529 PolarHBondContact OG1-NZ 3.33Å; V525-K529 PolarHBondContact O-N 3.37Å; F526-K529 WeakPolarHBondContact O-CB 3.42Å; F526-K529 PolarHBondContact O-N 2.94Å; L527-K529 VanDerWaalsContact C-N 3.3Å; L527-K529 PolarHBondContact O-N 3.12Å; K529-K531 VanDerWaalsContact C-N 3.34Å; K529-K531 PolarHBondContact O-N 3.18Å; K529-L532 PolarHBondContact O-N 3.28Å; K529-A533 PolarHBondContact O-N 3.31Å
530	L	90.8	Very high	85.8	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-59.7	-44.4	176.8	-74.6	170.3	0	0	0	111.8	F341 V343 D434 I470 F526 L527 A533 S534	F341-L530 HydrophobicContact CB-CD1 4.07Å; F341-L530 HydrophobicContact CD1-CB 4.07Å; F341-L530 HydrophobicContact CD1-CD1 4.46Å; F341-L530 HydrophobicContact CD1-CD2 4.32Å; F341-L530 HydrophobicContact CD2-CB 4.17Å; F341-L530 HydrophobicContact CD2-CD1 4.27Å; F341-L530 HydrophobicContact CE1-CB 3.93Å; F341-L530 HydrophobicContact CE2-CB 4.04Å; F341-L530 HydrophobicContact CG-CB 4.18Å; F341-L530 HydrophobicContact CG-CD1 4.02Å; F341-L530 HydrophobicContact CZ-CB 3.92Å; V343-L530 HydrophobicContact CG2-CD1 4.21Å; D434-L530 HydrophobicContact CB-CD2 3.9Å; D434-L530 WeakPolarHBondContact O-CD2 3.14Å; I470-L530 HydrophobicContact CB-CD2 4.28Å; I470-L530 HydrophobicContact CD1-CB 4.44Å; I470-L530 HydrophobicContact CD1-CD2 3.83Å; I470-L530 HydrophobicContact CD1-CG 4.18Å; I470-L530 HydrophobicContact CG1-CD2 4.17Å; F526-L530 HydrophobicContact CD1-CD1 3.77Å; F526-L530 HydrophobicContact CD1-CG 4.48Å; F526-L530 HydrophobicContact CE1-CD1 3.59Å; F526-L530 HydrophobicContact CE1-CG 4.31Å; F526-L530 HydrophobicContact CZ-CD1 4.18Å; F526-L530 HydrophobicContact CZ-CG 4.48Å; F526-L530 WeakPolarHBondContact O-CG 3.12Å; F526-L530 PolarHBondContact O-N 3.44Å; L527-L530 HydrophobicContact CD2-CD1 4.4Å; L527-L530 PolarHBondContact O-N 3.28Å; L530-A533 PolarHBondContact O-N 2.83Å; L530-S534 PolarHBondContact O-N 3.42Å
531	K	89.9	Confident	84.3	Confident	48 Å²	48	56.3 Å²	56.3	21%	0.209	28%	0.284	C	S	.	.	H	α-helix	trans	-57	-53.7	174.4	-166.1	-159.6	-168.5	-179.2	0	111.3	L339 Y402 L527 R528 K529 A533 S534 E535	L339-K531 HydrophobicContact CD1-CG 3.87Å; Y402-K531 HydrophobicContact CE1-CB 4.21Å; Y402-K531 WeakPolarHBondContact OH-CD 3.29Å; L527-K531 PolarHBondContact O-N 2.89Å; R528-K531 PolarHBondContact O-N 2.96Å; K529-K531 VanDerWaalsContact C-N 3.34Å; K529-K531 PolarHBondContact O-N 3.18Å; K531-A533 VanDerWaalsContact C-N 3.3Å; K531-A533 PolarHBondContact O-N 3.48Å; K531-S534 PolarHBondContact O-N 3.47Å; K531-S534 VanDerWaalsContact O-N 3.07Å; K531-S534 PolarHBondContact O-OG 3.01Å; K531-E535 WeakPolarHBondContact CE-OE1 3.4Å; K531-E535 IonicContact NZ-OE1 3.38Å; K531-E535 WeakPolarHBondContact O-CG 3.33Å; K531-E535 PolarHBondContact O-N 3.44Å
532	L	88.9	Confident	82.4	Confident	93 Å²	93	56.5 Å²	56.5	49%	0.487	28%	0.284	S	S	.	.	H	α-helix	trans	-59.6	-38.4	-178.8	-71.2	171.3	0	0	0	112.7	R528 K529 K536	R528-L532 VanDerWaalsContact O-CG 3.31Å; R528-L532 WeakPolarHBondContact O-CG 3.42Å; R528-L532 PolarHBondContact O-N 2.89Å; K529-L532 PolarHBondContact O-N 3.28Å; L532-K536 WeakPolarHBondContact O-CG 3.47Å; L532-K536 PolarHBondContact O-N 3.4Å; L532-K536 VanDerWaalsContact O-N 3.14Å
533	A	87.3	Confident	80.5	Confident	37 Å²	37	61.2 Å²	61.2	31%	0.306	31%	0.309	S	S	.	.	H	α-helix	trans	-66.6	-41.7	175.4	0	0	0	0	0	111.8	I470 K529 L530 K531 E535 K536 T537	I470-A533 HydrophobicContact CD1-CB 3.63Å; I470-A533 HydrophobicContact CG1-CB 4.27Å; K529-A533 PolarHBondContact O-N 3.31Å; L530-A533 PolarHBondContact O-N 2.83Å; K531-A533 VanDerWaalsContact C-N 3.3Å; K531-A533 PolarHBondContact O-N 3.48Å; A533-E535 VanDerWaalsContact C-N 3.34Å; A533-E535 PolarHBondContact O-N 2.83Å; A533-K536 PolarHBondContact O-N 3.19Å; A533-T537 WeakPolarHBondContact O-CG2 3.38Å; A533-T537 PolarHBondContact O-N 2.88Å; A533-T537 VanDerWaalsContact O-N 3.13Å; A533-T537 PolarHBondContact O-OG1 3.25Å
534	S	84.9	Confident	78.5	Confident	26 Å²	26	68 Å²	68	18%	0.182	34%	0.338	C	S	.	.	H	α-helix	trans	-62.5	-40.5	177.3	76.4	0	0	0	0	112.1	L530 K531 T537 N538	L530-S534 PolarHBondContact O-N 3.42Å; K531-S534 PolarHBondContact O-N 3.47Å; K531-S534 VanDerWaalsContact O-N 3.07Å; K531-S534 PolarHBondContact O-OG 3.01Å; S534-T537 PolarHBondContact O-N 3.07Å; S534-T537 PolarHBondContact O-OG1 2.94Å; S534-N538 PolarHBondContact O-N 2.94Å; S534-N538 PolarHBondContact O-ND2 2.9Å
535	E	84.9	Confident	76.4	Confident	73 Å²	73	74 Å²	74	34%	0.341	36%	0.363	S	S	.	.	H	α-helix	trans	-65.8	-44.7	178.1	-71	171.2	177.7	0	0	112.1	K531 A533 T537 N538 Q539	K531-E535 WeakPolarHBondContact CE-OE1 3.4Å; K531-E535 IonicContact NZ-OE1 3.38Å; K531-E535 WeakPolarHBondContact O-CG 3.33Å; K531-E535 PolarHBondContact O-N 3.44Å; A533-E535 VanDerWaalsContact C-N 3.34Å; A533-E535 PolarHBondContact O-N 2.83Å; E535-T537 VanDerWaalsContact C-N 3.26Å; E535-T537 PolarHBondContact O-N 3.24Å; E535-N538 PolarHBondContact O-N 3.4Å; E535-N538 VanDerWaalsContact O-N 3.09Å; E535-Q539 WeakPolarHBondContact O-CG 3.41Å; E535-Q539 PolarHBondContact O-N 2.89Å
536	K	81.1	Confident	74.2	Confident	148 Å²	148	77.8 Å²	77.8	64%	0.643	38%	0.382	S	S	*	.	H	α-helix	trans	-58.4	-38.2	174.6	-72.9	176.2	-178.4	-177.7	0	112	L532 A533 S540	L532-K536 WeakPolarHBondContact O-CG 3.47Å; L532-K536 PolarHBondContact O-N 3.4Å; L532-K536 VanDerWaalsContact O-N 3.14Å; A533-K536 PolarHBondContact O-N 3.19Å; K536-S540 PolarHBondContact O-N 3.33Å; K536-S540 PolarHBondContact O-OG 3.49Å
537	T	73.7	Confident	71.9	Confident	48 Å²	48	85.8 Å²	85.8	29%	0.294	42%	0.417	S	S	.	.	H	α-helix	trans	-71	-33.2	176.3	60.7	0	0	0	0	113.1	A533 S534 E535 S540 N541	A533-T537 WeakPolarHBondContact O-CG2 3.38Å; A533-T537 PolarHBondContact O-N 2.88Å; A533-T537 VanDerWaalsContact O-N 3.13Å; A533-T537 PolarHBondContact O-OG1 3.25Å; S534-T537 PolarHBondContact O-N 3.07Å; S534-T537 PolarHBondContact O-OG1 2.94Å; E535-T537 VanDerWaalsContact C-N 3.26Å; E535-T537 PolarHBondContact O-N 3.24Å; T537-S540 PolarHBondContact O-OG 2.79Å; T537-N541 VanDerWaalsContact O-CG 3.27Å; T537-N541 PolarHBondContact O-N 3.26Å; T537-N541 PolarHBondContact O-ND2 3.43Å; T537-N541 VanDerWaalsContact O-ND2 3.14Å
538	N	70.9	Confident	69.6	Low	95 Å²	95	94.9 Å²	94.9	51%	0.508	46%	0.456	S	S	.	.	H	α-helix	trans	-71.9	-44.6	177.3	-69.6	-23.8	0	0	0	111.7	S534 E535 S540 N541 E542	S534-N538 PolarHBondContact O-N 2.94Å; S534-N538 PolarHBondContact O-ND2 2.9Å; E535-N538 PolarHBondContact O-N 3.4Å; E535-N538 VanDerWaalsContact O-N 3.09Å; N538-S540 PolarHBondContact O-N 2.89Å; N538-N541 PolarHBondContact O-N 2.87Å; N538-N541 VanDerWaalsContact O-N 3.12Å; N538-E542 PolarHBondContact O-N 3.33Å
539	Q	62.3	Low	67.1	Low	120 Å²	120	97.4 Å²	97.4	56%	0.561	48%	0.475	S	S	*	.	H	α-helix	trans	-60.4	-43.1	176.7	-70	174.9	5.4	0	0	112	E535 N541 E542 I543	E535-Q539 WeakPolarHBondContact O-CG 3.41Å; E535-Q539 PolarHBondContact O-N 2.89Å; Q539-N541 VanDerWaalsContact C-N 3.28Å; Q539-N541 PolarHBondContact O-N 3.38Å; Q539-E542 PolarHBondContact O-N 2.91Å; Q539-I543 WeakPolarHBondContact O-CD1 3.27Å; Q539-I543 VanDerWaalsContact O-CG1 3.26Å; Q539-I543 WeakPolarHBondContact O-CG1 2.81Å; Q539-I543 PolarHBondContact O-N 2.86Å
540	S	58.5	Low	64.6	Low	52 Å²	52	97.6 Å²	97.6	36%	0.364	50%	0.496	S	S	.	.	H	α-helix	trans	-66.8	-27.4	177.1	57.4	0	0	0	0	113.5	K536 T537 N538 K544	K536-S540 PolarHBondContact O-N 3.33Å; K536-S540 PolarHBondContact O-OG 3.49Å; T537-S540 PolarHBondContact O-OG 2.79Å; N538-S540 PolarHBondContact O-N 2.89Å; S540-K544 WeakPolarHBondContact O-CG 3.38Å; S540-K544 PolarHBondContact O-N 3.29Å
541	N	57.1	Low	62.1	Low	71 Å²	71	103.1 Å²	103.1	38%	0.38	53%	0.533	S	S	.	.	H	α-helix	trans	-78.2	-35.2	174.6	-74.7	-26.7	0	0	0	112.7	T537 N538 Q539 K544 K545	T537-N541 VanDerWaalsContact O-CG 3.27Å; T537-N541 PolarHBondContact O-N 3.26Å; T537-N541 PolarHBondContact O-ND2 3.43Å; T537-N541 VanDerWaalsContact O-ND2 3.14Å; N538-N541 PolarHBondContact O-N 2.87Å; N538-N541 VanDerWaalsContact O-N 3.12Å; Q539-N541 VanDerWaalsContact C-N 3.28Å; Q539-N541 PolarHBondContact O-N 3.38Å; N541-K544 PolarHBondContact O-N 3.44Å; N541-K545 PolarHBondContact O-N 3.41Å
542	E	55.1	Low	59.7	Low	126 Å²	126	105.3 Å²	105.3	59%	0.589	55%	0.554	S	S	*	*	H	α-helix	trans	-64.9	-47.2	172.5	-75	-179.8	169.5	0	0	110.9	N538 Q539 K544 K545 D546	N538-E542 PolarHBondContact O-N 3.33Å; Q539-E542 PolarHBondContact O-N 2.91Å; E542-K544 PolarHBondContact O-N 3.41Å; E542-K545 PolarHBondContact O-N 2.97Å; E542-D546 PolarHBondContact O-N 3.29Å
543	I	53.5	Low	57.4	Low	100 Å²	100	106.9 Å²	106.9	51%	0.513	57%	0.572	S	S	.	*	H	α-helix	trans	-58.4	-35.3	175.9	-63	162.8	0	0	0	111.6	Q539 K547	Q539-I543 WeakPolarHBondContact O-CD1 3.27Å; Q539-I543 VanDerWaalsContact O-CG1 3.26Å; Q539-I543 WeakPolarHBondContact O-CG1 2.81Å; Q539-I543 PolarHBondContact O-N 2.86Å; I543-K547 WeakPolarHBondContact O-CG 3.3Å; I543-K547 PolarHBondContact O-N 2.85Å; I543-K547 VanDerWaalsContact O-N 3.15Å
544	K	51.6	Low	55.1	Low	144 Å²	144	110.6 Å²	110.6	63%	0.626	59%	0.594	S	S	*	*	H	α-helix	trans	-72.7	-30.8	175.6	-78	177.6	-178.3	177.6	0	113.2	S540 N541 E542	S540-K544 WeakPolarHBondContact O-CG 3.38Å; S540-K544 PolarHBondContact O-N 3.29Å; N541-K544 PolarHBondContact O-N 3.44Å; E542-K544 PolarHBondContact O-N 3.41Å
545	K	47.9	Very low	52.9	Low	156 Å²	156	113.9 Å²	113.9	68%	0.678	62%	0.617	S	S	*	*	H	α-helix	trans	-74.6	-42	174.9	-78	-177	177.6	-179.9	0	111.3	N541 E542 K547 K548 M549	N541-K545 PolarHBondContact O-N 3.41Å; E542-K545 PolarHBondContact O-N 2.97Å; K545-K547 VanDerWaalsContact C-N 3.32Å; K545-K547 PolarHBondContact O-N 2.95Å; K545-K548 WeakPolarHBondContact O-CA 3.2Å; K545-K548 WeakPolarHBondContact O-CB 3.06Å; K545-K548 PolarHBondContact O-N 3.35Å; K545-M549 PolarHBondContact O-N 3.3Å
546	D	47.8	Very low	50.5	Low	112 Å²	112	119.8 Å²	119.8	60%	0.599	64%	0.642	S	S	*	*	H	α-helix	trans	-67.1	-35	178.8	-68	-20.6	0	0	0	111.8	E542 K548 M549 G550	E542-D546 PolarHBondContact O-N 3.29Å; D546-K548 PolarHBondContact O-N 3.09Å; D546-M549 PolarHBondContact O-N 2.95Å; D546-M549 VanDerWaalsContact O-N 3.09Å; D546-G550 PolarHBondContact O-N 2.98Å; D546-G550 VanDerWaalsContact O-N 3.1Å
547	K	45.9	Very low	48.3	Very low	169 Å²	169	124.1 Å²	124.1	74%	0.735	67%	0.67	S	S	*	*	H	α-helix	trans	-63.7	-22.3	170.4	-77.8	-174.7	179	-176	0	114	I543 K545	I543-K547 WeakPolarHBondContact O-CG 3.3Å; I543-K547 PolarHBondContact O-N 2.85Å; I543-K547 VanDerWaalsContact O-N 3.15Å; K545-K547 VanDerWaalsContact C-N 3.32Å; K545-K547 PolarHBondContact O-N 2.95Å
548	K	45.1	Very low	47.1	Very low	190 Å²	190	127.9 Å²	127.9	83%	0.826	69%	0.689	S	S	*	*	H	α-helix	trans	-84.6	-19.6	172.8	-79.9	-169.8	174.7	-175.2	0	113.5	K545 D546	K545-K548 WeakPolarHBondContact O-CA 3.2Å; K545-K548 WeakPolarHBondContact O-CB 3.06Å; K545-K548 PolarHBondContact O-N 3.35Å; D546-K548 PolarHBondContact O-N 3.09Å
549	M	40.8	Very low	45.8	Very low	169 Å²	169	129.6 Å²	129.6	83%	0.833	70%	0.699	S	S	*	*	H	α-helix	trans	-92.7	-11.7	174.3	-77.7	-178.4	70.6	0	0	113.8	K545 D546 C551	K545-M549 PolarHBondContact O-N 3.3Å; D546-M549 PolarHBondContact O-N 2.95Å; D546-M549 VanDerWaalsContact O-N 3.09Å; M549-C551 PolarHBondContact O-N 3.03Å
550	G	38.3	Very low	44.9	Very low	70 Å²	70	130.2 Å²	130.2	72%	0.722	71%	0.706	S	S	*	*	S	Bend	trans	-80.9	8.9	-175.9	0	0	0	0	0	117.9	D546	D546-G550 PolarHBondContact O-N 2.98Å; D546-G550 VanDerWaalsContact O-N 3.1Å
551	C	39	Very low	44.1	Very low	119 Å²	119	134.8 Å²	134.8	80%	0.804	73%	0.726	S	S	*	*	S	Bend	trans	-130.8	66.5	-178.2	-164	0	0	0	0	112.1	M549	M549-C551 PolarHBondContact O-N 3.03Å
552	C	38.7	Very low	43.3	Very low	94 Å²	94	138.8 Å²	138.8	64%	0.635	75%	0.748	S	S	*	*			trans	-174.7	84.1	149.8	-122.9	0	0	0	0	110.8
553	S	40.3	Very low	42.5	Very low	125 Å²	125	139.6 Å²	139.6	87%	0.874	76%	0.759	S	S	*	*	S	Bend	trans	-132.8	11.4	157.2	91.4	0	0	0	0	113.7
554	C	40.4	Very low	41.7	Very low	115 Å²	115	142.4 Å²	142.4	78%	0.777	78%	0.776	S	S	*	*	S	Bend	trans	-128	17.3	176.2	53.9	0	0	0	0	114
555	C	38.6	Very low	41	Very low	96 Å²	96	142.3 Å²	142.3	65%	0.649	79%	0.788	S	S	*	*	S	Bend	trans	-111.8	17.6	172	-63.9	0	0	0	0	113.9
556	F	34.5	Very low	40.4	Very low	197 Å²	197	141.2 Å²	141.2	86%	0.864	80%	0.797	S	S	*	*			trans	-131.7	64.7	171.6	-89.1	-82.1	0	0	0	110.5
557	L	35.2	Very low	39.7	Very low	238 Å²	238	143.8 Å²	143.8	100%	1.246	82%	0.815	S	S	*	*			trans	-167.5	0	159.7	-102.3	150.6	0	0	0	106

Retrieved 557 of 557 residues in 1222.6 ms (Link to these results)

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