A0A096MIE3_POEFO Loading...

Phosphatidylinositol-4-phosphate 5-kinase type 1 gamma

AlphaFold DB , UniProt , Accession A0A096MIE3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 725 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	32.8	Very low	216 Å²	216	131.4 Å²	131.4	100%	1.064	84%	0.844	S	S	*	*				0	61.6	0	-60	171.4	-176.1	0	0	107.3
2	E	32.1	Very low	32.6	Very low	167 Å²	167	129.9 Å²	129.9	78%	0.78	84%	0.84	S	S	*	*				82.3	122.4	66.6	-69.5	149.4	108.4	0	0	109.9
3	A	34.5	Very low	32.5	Very low	99 Å²	99	134.4 Å²	134.4	82%	0.818	84%	0.843	S	S	*	*				70.4	141.9	55.8	0	0	0	0	0	111.7
4	A	33.3	Very low	32.4	Very low	91 Å²	91	132.6 Å²	132.6	75%	0.752	85%	0.847	S	S	*	*			cis	-135.3	154.4	4.7	0	0	0	0	0	108.1
5	A	37.8	Very low	32.2	Very low	101 Å²	101	129.1 Å²	129.1	84%	0.835	85%	0.845	S	S	*	*				63.5	103.6	58.4	0	0	0	0	0	114.8
6	E	35.5	Very low	32.1	Very low	212 Å²	212	133.8 Å²	133.8	99%	0.991	85%	0.852	S	S	*	*			trans	-132.3	156.2	158	-90.4	-157.2	135.1	0	0	109.4
7	G	30.8	Very low	31.9	Very low	80 Å²	80	130.4 Å²	130.4	83%	0.825	85%	0.848	S	S	*	*			trans	164.3	154.3	173.5	0	0	0	0	0	113.2
8	A	32	Very low	31.9	Very low	92 Å²	92	129.9 Å²	129.9	76%	0.76	85%	0.848	S	S	*	*			trans	-167.1	130.1	170	0	0	0	0	0	109.1
9	V	31.8	Very low	33.1	Very low	149 Å²	149	128.7 Å²	128.7	90%	0.903	84%	0.84	S	S	*	*				59.3	129.8	97.1	-176.2	0	0	0	0	113.9
10	G	28.6	Very low	33.2	Very low	60 Å²	60	130.4 Å²	130.4	62%	0.619	84%	0.841	S	S	*	*			cis	167.5	-156.2	2	0	0	0	0	0	111.1
11	L	30	Very low	33.2	Very low	178 Å²	178	129.5 Å²	129.5	93%	0.932	84%	0.838	S	S	*	*			trans	72.3	153.8	174.2	-61.4	156.2	0	0	0	115.4
12	S	30.8	Very low	33	Very low	114 Å²	114	123 Å²	123	80%	0.797	83%	0.826	S	S	*	*			cis	-149.2	178.5	-2.2	50.3	0	0	0	0	112.2
13	E	30.7	Very low	32.9	Very low	188 Å²	188	119.3 Å²	119.3	88%	0.879	82%	0.824	S	S	*	*			trans	-90.1	178.3	-175	-58.3	169.7	89.9	0	0	116.1
14	A	31.4	Very low	32.8	Very low	110 Å²	110	121.3 Å²	121.3	91%	0.909	83%	0.826	S	S	*	*			trans	89	144.3	146.2	0	0	0	0	0	120.9
15	G	29.6	Very low	32.7	Very low	79 Å²	79	122.2 Å²	122.2	81%	0.814	83%	0.834	S	S	*	*			trans	161.2	98.2	176.6	0	0	0	0	0	112.8
16	E	31	Very low	32.4	Very low	205 Å²	205	122.2 Å²	122.2	96%	0.958	83%	0.828	S	S	*	*			trans	-98	166.8	-178.4	-60.3	174	89.6	0	0	113.3
17	G	29	Very low	32.3	Very low	76 Å²	76	118.8 Å²	118.8	78%	0.784	82%	0.816	S	S	*	*			trans	114.7	123.8	139.6	0	0	0	0	0	119.3
18	S	32.1	Very low	32.4	Very low	122 Å²	122	122.6 Å²	122.6	85%	0.853	82%	0.818	S	S	*	*			trans	-89.3	-164.5	166.4	-42.7	0	0	0	0	110.5
19	P	53.8	Low	32.2	Very low	107 Å²	107	121.9 Å²	121.9	70%	0.695	82%	0.819	S	S	*	*			cis	-143.1	-161.3	-2	35.6	-10.5	0	0	0	116
20	L	34.2	Very low	32.1	Very low	162 Å²	162	124.1 Å²	124.1	85%	0.848	82%	0.82	S	S	*	*			trans	77.9	149.1	162.3	-60.5	157.2	0	0	0	117.4
21	S	33.3	Very low	32.2	Very low	112 Å²	112	127.3 Å²	127.3	78%	0.783	83%	0.828	S	S	*	*			cis	-168.2	172.9	-14.1	52.1	0	0	0	0	108.9
22	G	29.7	Very low	32.3	Very low	79 Å²	79	125.2 Å²	125.2	81%	0.814	82%	0.822	S	S	*	*			cis	146.4	91.2	-10.4	0	0	0	0	0	114.6
23	A	31.2	Very low	32.3	Very low	90 Å²	90	126 Å²	126	74%	0.744	82%	0.821	S	S	*	*			trans	-156.5	110.1	179.8	0	0	0	0	0	112.1
24	T	31.8	Very low	32.1	Very low	140 Å²	140	120.4 Å²	120.4	86%	0.859	81%	0.814	S	S	*	*				72.9	110.3	89.7	60.3	0	0	0	0	118.6
25	A	30.7	Very low	31.9	Very low	111 Å²	111	120.5 Å²	120.5	92%	0.917	80%	0.803	S	S	*	*			trans	-175.5	154.5	135.9	0	0	0	0	0	111.7
26	S	32.2	Very low	31.6	Very low	101 Å²	101	122.4 Å²	122.4	71%	0.706	80%	0.804	S	S	*	*			trans	-136.2	158.3	172.4	61.9	0	0	0	0	111
27	D	32.8	Very low	31.6	Very low	139 Å²	139	123.3 Å²	123.3	74%	0.743	80%	0.8	S	S	*	*				159.9	151.1	115.6	-101.8	16.2	0	0	0	114.9
28	D	32.8	Very low	31.5	Very low	161 Å²	161	123.2 Å²	123.2	86%	0.861	80%	0.8	S	S	*	*			trans	24	152.6	152.2	-71.7	-8.3	0	0	0	124.6
29	G	29.2	Very low	31.4	Very low	76 Å²	76	126 Å²	126	78%	0.784	80%	0.801	S	S	*	*			trans	160.9	93.2	163.3	0	0	0	0	0	116.3
30	E	28.5	Very low	30.1	Very low	197 Å²	197	129.2 Å²	129.2	92%	0.921	81%	0.813	S	S	*	*			trans	-51.6	170.7	-171.9	-66.7	178.5	101.1	0	0	120.6
31	T	31.4	Very low	29.8	Very low	127 Å²	127	125.9 Å²	125.9	78%	0.779	81%	0.808	S	S	*	*			trans	-125.5	-151.7	167.8	58.5	0	0	0	0	110.6
32	V	32.8	Very low	29.6	Very low	133 Å²	133	125.3 Å²	125.3	81%	0.806	81%	0.81	S	S	*	*			trans	81.1	144.7	177.5	-166.8	0	0	0	0	112.6
33	V	30.5	Very low	29.5	Very low	131 Å²	131	129.5 Å²	129.5	79%	0.794	81%	0.814	S	S	*	*			cis	-121.2	154.6	18.5	-172.1	0	0	0	0	109.7	V35	V33-V35 HydrophobicContact CG1-CG2 3.82Å
34	G	25.6	Very low	29.4	Very low	70 Å²	70	132.8 Å²	132.8	72%	0.722	82%	0.816	S	S	*	*			cis	159	-169.6	3.8	0	0	0	0	0	107.3
35	V	28	Very low	29.2	Very low	113 Å²	113	132 Å²	132	69%	0.685	81%	0.807	S	S	*	*			cis	-149.3	143.6	-4.6	175.3	0	0	0	0	106.6	V33 Y37	V33-V35 HydrophobicContact CG1-CG2 3.82Å; V35-Y37 HydrophobicContact CG1-CD2 4.27Å; V35-Y37 HydrophobicContact CG1-CE2 4.04Å
36	S	23.7	Very low	29	Very low	118 Å²	118	131.7 Å²	131.7	83%	0.825	80%	0.804	S	S	*	*			trans	-138.2	131.5	171	57.8	0	0	0	0	110.9
37	Y	30.3	Very low	28.6	Very low	224 Å²	224	130.4 Å²	130.4	88%	0.878	80%	0.799	S	S	*	*			trans	-95.1	142	-175.6	-83.6	-89.7	0	0	0	113.5	V35	V35-Y37 HydrophobicContact CG1-CD2 4.27Å; V35-Y37 HydrophobicContact CG1-CE2 4.04Å
38	G	27.5	Very low	28.4	Very low	75 Å²	75	127.8 Å²	127.8	77%	0.773	80%	0.797	S	S	*	*			trans	63	98.7	133.6	0	0	0	0	0	118.5
39	M	28.8	Very low	28.3	Very low	181 Å²	181	132.1 Å²	132.1	89%	0.892	80%	0.801	S	S	*	*			trans	-78.6	156.5	148.5	-63.9	162.4	62.1	0	0	109.4
40	D	27.8	Very low	28.3	Very low	174 Å²	174	138.1 Å²	138.1	93%	0.93	81%	0.806	S	S	*	*			trans	-140.4	152	147.2	-121.1	-34.9	0	0	0	108.7
41	A	27.3	Very low	28.4	Very low	92 Å²	92	132.9 Å²	132.9	76%	0.76	80%	0.796	S	S	*	*			trans	-128.1	149.9	-163.9	0	0	0	0	0	113.1
42	A	29	Very low	28.1	Very low	100 Å²	100	135.4 Å²	135.4	83%	0.826	80%	0.797	S	S	*	*			trans	-144.4	129.3	171.2	0	0	0	0	0	113.1
43	D	27.6	Very low	27.9	Very low	167 Å²	167	137.1 Å²	137.1	89%	0.893	80%	0.799	S	S	*	*			trans	76.7	152.6	159.4	-116.9	-37	0	0	0	122
44	M	30.1	Very low	27.7	Very low	159 Å²	159	135.5 Å²	135.5	78%	0.783	79%	0.79	S	S	*	*			trans	-119.1	140.4	-159	-72.6	-149.2	71.3	0	0	115.9
45	D	26.7	Very low	27.6	Very low	124 Å²	124	141.2 Å²	141.2	66%	0.663	80%	0.798	S	S	*	*			trans	28	122.7	133	-168.4	29.7	0	0	0	120.4	A47	D45-A47 PolarHBondContact OD1-N 3.25Å
46	A	26.1	Very low	27.6	Very low	104 Å²	104	143.5 Å²	143.5	86%	0.86	81%	0.805	S	S	*	*			trans	-136.3	73.7	150.5	0	0	0	0	0	111
47	A	25.1	Very low	28.4	Very low	73 Å²	73	143.1 Å²	143.1	60%	0.603	80%	0.8	S	S	*	*			trans	-23.9	151.7	151.7	0	0	0	0	0	115.6	D45	D45-A47 PolarHBondContact OD1-N 3.25Å
48	A	28.4	Very low	28.2	Very low	85 Å²	85	138.5 Å²	138.5	70%	0.702	80%	0.801	S	S	*	*			cis	-178.9	170.7	-9.1	0	0	0	0	0	108.2
49	R	29.6	Very low	28.4	Very low	251 Å²	251	140.9 Å²	140.9	95%	0.947	81%	0.806	S	S	*	*			trans	-167.5	127.9	131.2	-104	151.7	-160.5	-144.4	3.7	116
50	K	29.6	Very low	28.4	Very low	203 Å²	203	137.7 Å²	137.7	88%	0.883	80%	0.801	S	S	*	*			trans	-43.8	161.8	155.3	-71.7	172.2	179.1	178.8	0	113.9
51	A	29.6	Very low	28.5	Very low	86 Å²	86	133.4 Å²	133.4	71%	0.711	80%	0.798	S	S	*	*			cis	-173	173.3	-13.5	0	0	0	0	0	111
52	F	26.4	Very low	28.5	Very low	181 Å²	181	137.5 Å²	137.5	79%	0.794	80%	0.801	S	S	*	*			trans	6	133.5	151.6	-100	-94.8	0	0	0	120.6	T54	F52-T54 WeakPolarHBondContact CD1-OG1 3.46Å
53	I	27.4	Very low	28.9	Very low	168 Å²	168	138.6 Å²	138.6	86%	0.862	80%	0.8	S	S	*	*			trans	-128.4	145.4	139.2	-65.4	-178	0	0	0	107.4
54	T	26.4	Very low	29.2	Very low	98 Å²	98	134.2 Å²	134.2	60%	0.601	80%	0.795	S	S	*	*			trans	-122.3	130.3	-177.4	-56.7	0	0	0	0	110.1	F52	F52-T54 WeakPolarHBondContact CD1-OG1 3.46Å
55	E	24.7	Very low	29.6	Very low	189 Å²	189	135.9 Å²	135.9	88%	0.883	80%	0.801	S	S	*	*			trans	-142.8	153.1	157.7	-75.2	-157	155.2	0	0	112
56	L	27.1	Very low	30.5	Very low	161 Å²	161	132.1 Å²	132.1	84%	0.843	79%	0.791	S	S	*	*			trans	-154.4	157.6	176.7	-84.5	172.5	0	0	0	107.6
57	P	41.6	Very low	31.5	Very low	111 Å²	111	135.5 Å²	135.5	72%	0.721	79%	0.786	S	S	*	*			cis	-123.8	180	-21.1	39.4	-25.9	0	0	0	111.5
58	S	24.5	Very low	32.5	Very low	127 Å²	127	140.4 Å²	140.4	89%	0.888	79%	0.794	S	S	*	*			trans	-150.8	137.7	159.4	-83.2	0	0	0	0	111.6
59	S	32.8	Very low	33.6	Very low	125 Å²	125	140.3 Å²	140.3	87%	0.874	78%	0.781	S	S	*	*			trans	-97.5	124.5	-173.9	42.8	0	0	0	0	112.2
60	S	29	Very low	35.3	Very low	114 Å²	114	131 Å²	131	80%	0.797	76%	0.763	S	S	*	*			trans	-139.4	117	153.1	58	0	0	0	0	108.6	Q62	S60-Q62 PolarHBondContact O-N 2.94Å
61	G	29	Very low	36.4	Very low	84 Å²	84	127.6 Å²	127.6	87%	0.866	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-81.5	116.3	-177.9	0	0	0	0	0	110.8
62	Q	28.6	Very low	37.7	Very low	177 Å²	177	123.9 Å²	123.9	83%	0.827	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-92.1	135.4	161	-70.6	-167.3	-16	0	0	109.6	S60	S60-Q62 PolarHBondContact O-N 2.94Å
63	P	36.6	Very low	39.2	Very low	123 Å²	123	116.3 Å²	116.3	80%	0.799	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-65	149	175.3	28.1	-34.1	0	0	0	110.8
64	G	34.7	Very low	40.7	Very low	76 Å²	76	109.7 Å²	109.7	78%	0.784	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-58	141.2	-164.6	0	0	0	0	0	115.2	G66	G64-G66 PolarHBondContact O-N 3.18Å
65	Q	37.7	Very low	42.1	Very low	194 Å²	194	107.6 Å²	107.6	91%	0.907	64%	0.643	S	S	*	*			trans	-63.7	104	171	-67.4	-179.5	-8.5	0	0	110.1	K67	Q65-K67 PolarHBondContact O-N 3.48Å
66	G	44.9	Very low	43.2	Very low	44 Å²	44	104.1 Å²	104.1	45%	0.454	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-57.6	135	175.4	0	0	0	0	0	111.8	G64 K68	G64-G66 PolarHBondContact O-N 3.18Å; G66-K68 PolarHBondContact O-N 3.3Å
67	K	47.9	Very low	44.4	Very low	175 Å²	175	101.1 Å²	101.1	76%	0.761	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-62.6	126.7	-178.7	-69.3	176.2	178.9	173.6	0	109.6	Q65 V74	Q65-K67 PolarHBondContact O-N 3.48Å; K67-V74 VanDerWaalsContact O-CB 3.26Å; K67-V74 WeakPolarHBondContact O-CB 3.39Å; K67-V74 WeakPolarHBondContact O-CG2 3.5Å; K67-V74 PolarHBondContact O-N 3.02Å
68	K	45.1	Very low	45.3	Very low	176 Å²	176	98.4 Å²	98.4	77%	0.765	63%	0.631	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.4	143	177.1	-66	-177.1	-179.3	178.4	0	111.3	G66 R72	G66-K68 PolarHBondContact O-N 3.3Å; K68-R72 CarbonylContact C-O 3.53Å; K68-R72 WeakPolarHBondContact CA-O 3.28Å
69	I	53.3	Low	47.4	Very low	83 Å²	83	94.8 Å²	94.8	43%	0.426	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.2	87.7	175.1	-55.9	179.3	0	0	0	107.5	R72 V74	I69-R72 PolarHBondContact N-O 3Å; I69-R72 VanDerWaalsContact O-CB 3.32Å; I69-R72 WeakPolarHBondContact O-CB 3.49Å; I69-R72 PolarHBondContact O-N 2.91Å; I69-R72 VanDerWaalsContact O-N 3.14Å; I69-V74 HydrophobicContact CD1-CG2 3.88Å; I69-V74 HydrophobicContact CG1-CG2 4.19Å
70	G	64.5	Low	49.3	Very low	57 Å²	57	90.5 Å²	90.5	59%	0.588	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	61.1	-134.3	-165.9	0	0	0	0	0	110.9	R72	G70-R72 PolarHBondContact O-N 3.28Å
71	H	52.6	Low	51.4	Low	130 Å²	130	86.4 Å²	86.4	60%	0.602	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	0.9	175.1	-58.4	-93.3	0	0	0	114.1
72	R	57.9	Low	53.5	Low	8 Å²	8	83.8 Å²	83.8	3%	0.03	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	133.5	177.1	-50.8	-179.3	-172.2	-172.7	4.7	110.2	K68 I69 G70 T81 E177 L178	K68-R72 CarbonylContact C-O 3.53Å; K68-R72 WeakPolarHBondContact CA-O 3.28Å; I69-R72 PolarHBondContact N-O 3Å; I69-R72 VanDerWaalsContact O-CB 3.32Å; I69-R72 WeakPolarHBondContact O-CB 3.49Å; I69-R72 PolarHBondContact O-N 2.91Å; I69-R72 VanDerWaalsContact O-N 3.14Å; G70-R72 PolarHBondContact O-N 3.28Å; R72-T81 VanDerWaalsContact CA-O 3.29Å; R72-T81 WeakPolarHBondContact CA-O 3.43Å; R72-E177 IonicContact CZ-OE1 2.67Å; R72-E177 IonicContact NH1-OE1 2.68Å; R72-E177 PolarHBondContact NH1-OE1 2.71Å; R72-L178 PolarHBondContact NH2-O 3.44Å
73	G	56.4	Low	55.6	Low	22 Å²	22	79.2 Å²	79.2	23%	0.227	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.6	165.2	0	0	0	0	0	109.6	T81	G73-T81 PolarHBondContact N-O 2.78Å; G73-T81 WeakPolarHBondContact O-CB 3.25Å; G73-T81 PolarHBondContact O-N 2.68Å; G73-T81 PolarHBondContact O-OG1 3.05Å
74	V	58.6	Low	57.2	Low	29 Å²	29	82.6 Å²	82.6	18%	0.176	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.7	165.7	-177.2	0	0	0	0	108.2	K67 I69 E79	K67-V74 VanDerWaalsContact O-CB 3.26Å; K67-V74 WeakPolarHBondContact O-CB 3.39Å; K67-V74 WeakPolarHBondContact O-CG2 3.5Å; K67-V74 PolarHBondContact O-N 3.02Å; I69-V74 HydrophobicContact CD1-CG2 3.88Å; I69-V74 HydrophobicContact CG1-CG2 4.19Å; V74-E79 WeakPolarHBondContact CA-O 3.41Å
75	D	56.3	Low	59.2	Low	55 Å²	55	79.7 Å²	79.7	29%	0.294	45%	0.45	S	S	.	.			trans	-82.1	-177	178.9	72.2	26.4	0	0	0	113	S77 G78 E79 T81	D75-S77 PolarHBondContact O-N 3.37Å; D75-S77 WeakPolarHBondContact OD1-CA 3.16Å; D75-S77 WeakPolarHBondContact OD1-CB 3.28Å; D75-S77 PolarHBondContact OD1-N 2.78Å; D75-S77 PolarHBondContact OD1-OG 3.4Å; D75-G78 PolarHBondContact O-N 3.32Å; D75-G78 PolarHBondContact OD1-N 2.81Å; D75-G78 VanDerWaalsContact OD1-N 3.14Å; D75-E79 PolarHBondContact N-O 3.14Å; D75-E79 PolarHBondContact OD1-N 2.97Å; D75-E79 VanDerWaalsContact OD1-N 3.13Å; D75-T81 HydrophobicContact CB-CG2 4.26Å
76	A	48.1	Very low	61.4	Low	116 Å²	116	72.1 Å²	72.1	96%	0.959	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-14.8	-178.4	0	0	0	0	0	114.4
77	S	53.1	Low	63.3	Low	98 Å²	98	70.3 Å²	70.3	69%	0.685	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-16.1	173.7	77.8	0	0	0	0	112.9	D75 E79	D75-S77 PolarHBondContact O-N 3.37Å; D75-S77 WeakPolarHBondContact OD1-CA 3.16Å; D75-S77 WeakPolarHBondContact OD1-CB 3.28Å; D75-S77 PolarHBondContact OD1-N 2.78Å; D75-S77 PolarHBondContact OD1-OG 3.4Å; S77-E79 PolarHBondContact OG-N 3.12Å
78	G	60.8	Low	65.1	Low	53 Å²	53	64.4 Å²	64.4	55%	0.546	38%	0.378	S	S	.	.	S	Bend	trans	96.9	4.3	-173.1	0	0	0	0	0	114.1	D75	D75-G78 PolarHBondContact O-N 3.32Å; D75-G78 PolarHBondContact OD1-N 2.81Å; D75-G78 VanDerWaalsContact OD1-N 3.14Å
79	E	67.6	Low	67.3	Low	52 Å²	52	56.4 Å²	56.4	24%	0.243	35%	0.345	C	S	.	.			trans	-77.6	144.3	178.3	-155.6	-174.5	160.6	0	0	112	V74 D75 S77 T86 S87 S88	V74-E79 WeakPolarHBondContact CA-O 3.41Å; D75-E79 PolarHBondContact N-O 3.14Å; D75-E79 PolarHBondContact OD1-N 2.97Å; D75-E79 VanDerWaalsContact OD1-N 3.13Å; S77-E79 PolarHBondContact OG-N 3.12Å; E79-T86 WeakPolarHBondContact OE1-CB 3.48Å; E79-T86 WeakPolarHBondContact OE2-CB 3.37Å; E79-S87 PolarHBondContact OE1-N 2.71Å; E79-S88 VanDerWaalsContact CD-OG 3.28Å; E79-S88 WeakPolarHBondContact OE1-CB 3.29Å; E79-S88 PolarHBondContact OE1-N 2.86Å; E79-S88 PolarHBondContact OE1-OG 3.12Å; E79-S88 PolarHBondContact OE2-OG 3.25Å; E79-S88 VanDerWaalsContact OE2-OG 3.08Å
80	T	73.1	Confident	69.1	Low	35 Å²	35	52.4 Å²	52.4	22%	0.215	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	124.6	171.6	41	0	0	0	0	111.1	S87 E177	T80-S87 WeakPolarHBondContact O-CB 3.06Å; T80-S87 PolarHBondContact O-N 3.15Å; T80-E177 PolarHBondContact OG1-OE1 2.97Å; T80-E177 PolarHBondContact OG1-OE2 3.11Å
81	T	72.3	Confident	70.5	Confident	27 Å²	27	51.8 Å²	51.8	17%	0.166	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	141.8	171.9	70.2	0	0	0	0	111.6	R72 G73 D75 T85 T86	R72-T81 VanDerWaalsContact CA-O 3.29Å; R72-T81 WeakPolarHBondContact CA-O 3.43Å; G73-T81 PolarHBondContact N-O 2.78Å; G73-T81 WeakPolarHBondContact O-CB 3.25Å; G73-T81 PolarHBondContact O-N 2.68Å; G73-T81 PolarHBondContact O-OG1 3.05Å; D75-T81 HydrophobicContact CB-CG2 4.26Å; T81-T85 CarbonylContact C-O 3.43Å; T81-T85 VanDerWaalsContact CA-O 3.24Å; T81-T85 WeakPolarHBondContact CA-O 3.46Å; T81-T86 HydrophobicContact CG2-CG2 4.26Å
82	Y	73.1	Confident	72.5	Confident	29 Å²	29	45.8 Å²	45.8	11%	0.114	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122.2	171.8	-176	-103.4	0	0	0	109.2	K84 T85 L90 V187 T200 I244	Y82-K84 PolarHBondContact O-N 2.95Å; Y82-T85 PolarHBondContact N-O 3.06Å; Y82-T85 PolarHBondContact O-N 3.19Å; Y82-L90 HydrophobicContact CD1-CD2 4.34Å; Y82-V187 HydrophobicContact CD1-CG2 4.48Å; Y82-V187 HydrophobicContact CD2-CG2 3.54Å; Y82-V187 HydrophobicContact CE2-CG2 3.96Å; Y82-V187 HydrophobicContact CG-CG2 3.83Å; Y82-T200 HydrophobicContact CE1-CG2 4.19Å; Y82-I244 HydrophobicContact CD1-CD1 4.12Å; Y82-I244 HydrophobicContact CD1-CG1 4.11Å; Y82-I244 HydrophobicContact CD1-CG2 4.15Å; Y82-I244 HydrophobicContact CE1-CG1 4.23Å; Y82-I244 HydrophobicContact CE1-CG2 4.04Å
83	K	72.7	Confident	74.2	Confident	82 Å²	82	45.6 Å²	45.6	36%	0.357	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	38.5	-173.9	-56.4	-169.3	-170	-178	0	114.7	T85 K242 N243 I244	K83-T85 VanDerWaalsContact C-N 3.28Å; K83-T85 PolarHBondContact O-N 3.27Å; K83-K242 HydrophobicContact CB-CB 4.43Å; K83-N243 PolarHBondContact NZ-O 2.91Å; K83-N243 VanDerWaalsContact NZ-O 3.08Å; K83-I244 HydrophobicContact CB-CD1 4.37Å; K83-I244 HydrophobicContact CB-CG1 4.26Å; K83-I244 HydrophobicContact CD-CG1 4.07Å; K83-I244 HydrophobicContact CG-CG1 4.49Å
84	K	71.6	Confident	76.1	Confident	193 Å²	193	44.6 Å²	44.6	84%	0.839	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	0.5	-175.4	-48.3	-178.6	-178.8	-177.8	0	116.3	Y82	Y82-K84 PolarHBondContact O-N 2.95Å
85	T	75.3	Confident	77.9	Confident	15 Å²	15	45 Å²	45	9%	0.092	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	137.1	168	-49	0	0	0	0	109	T81 Y82 K83 A89 L90 I244	T81-T85 CarbonylContact C-O 3.43Å; T81-T85 VanDerWaalsContact CA-O 3.24Å; T81-T85 WeakPolarHBondContact CA-O 3.46Å; Y82-T85 PolarHBondContact N-O 3.06Å; Y82-T85 PolarHBondContact O-N 3.19Å; K83-T85 VanDerWaalsContact C-N 3.28Å; K83-T85 PolarHBondContact O-N 3.27Å; T85-A89 HydrophobicContact CG2-CB 4.09Å; T85-L90 HydrophobicContact CG2-CB 4.04Å; T85-I244 WeakPolarHBondContact OG1-CD1 3.28Å
86	T	84.4	Confident	79.8	Confident	36 Å²	36	44.7 Å²	44.7	22%	0.221	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	154	172.7	68.1	0	0	0	0	110.6	E79 T81 S88 A89 L90	E79-T86 WeakPolarHBondContact OE1-CB 3.48Å; E79-T86 WeakPolarHBondContact OE2-CB 3.37Å; T81-T86 HydrophobicContact CG2-CG2 4.26Å; T86-S88 VanDerWaalsContact C-N 3.34Å; T86-S88 PolarHBondContact O-N 3.23Å; T86-S88 PolarHBondContact OG1-OG 2.89Å; T86-S88 VanDerWaalsContact OG1-OG 3.09Å; T86-A89 PolarHBondContact O-N 2.72Å; T86-A89 VanDerWaalsContact OG1-CB 3.25Å; T86-A89 WeakPolarHBondContact OG1-CB 3.08Å; T86-A89 PolarHBondContact OG1-N 3.4Å; T86-L90 WeakPolarHBondContact O-CB 3.41Å; T86-L90 PolarHBondContact O-N 3.47Å
87	S	83.8	Confident	82.1	Confident	6 Å²	6	39.2 Å²	39.2	4%	0.042	22%	0.221	C	C	.	.	H	α-helix	trans	-66.8	-36.1	-177.9	-167.8	0	0	0	0	112.3	E79 T80 L90 K91 E177 Y189	E79-S87 PolarHBondContact OE1-N 2.71Å; T80-S87 WeakPolarHBondContact O-CB 3.06Å; T80-S87 PolarHBondContact O-N 3.15Å; S87-L90 PolarHBondContact O-N 3.06Å; S87-K91 WeakPolarHBondContact O-CB 3.48Å; S87-K91 VanDerWaalsContact O-CG 3.24Å; S87-K91 WeakPolarHBondContact O-CG 3.33Å; S87-K91 PolarHBondContact O-N 3.18Å; S87-E177 VanDerWaalsContact CB-OE2 3.23Å; S87-E177 WeakPolarHBondContact CB-OE2 3.46Å; S87-E177 PolarHBondContact OG-OE2 2.9Å; S87-Y189 PolarHBondContact OG-OH 3Å; S87-Y189 VanDerWaalsContact OG-OH 3.1Å
88	S	87.3	Confident	84.2	Confident	50 Å²	50	34.5 Å²	34.5	35%	0.35	19%	0.188	S	C	.	.	H	α-helix	trans	-58.1	-50.1	171.2	56.2	0	0	0	0	111.9	E79 T86 K91 G92	E79-S88 VanDerWaalsContact CD-OG 3.28Å; E79-S88 WeakPolarHBondContact OE1-CB 3.29Å; E79-S88 PolarHBondContact OE1-N 2.86Å; E79-S88 PolarHBondContact OE1-OG 3.12Å; E79-S88 PolarHBondContact OE2-OG 3.25Å; E79-S88 VanDerWaalsContact OE2-OG 3.08Å; T86-S88 VanDerWaalsContact C-N 3.34Å; T86-S88 PolarHBondContact O-N 3.23Å; T86-S88 PolarHBondContact OG1-OG 2.89Å; T86-S88 VanDerWaalsContact OG1-OG 3.09Å; S88-K91 PolarHBondContact O-N 3.38Å; S88-G92 PolarHBondContact O-N 3.28Å
89	A	90.3	Very high	85.9	Confident	8 Å²	8	33.1 Å²	33.1	7%	0.066	17%	0.174	C	C	.	.	H	α-helix	trans	-66.2	-37.6	177.9	0	0	0	0	0	112.4	T85 T86 G92 A93 F139	T85-A89 HydrophobicContact CG2-CB 4.09Å; T86-A89 PolarHBondContact O-N 2.72Å; T86-A89 VanDerWaalsContact OG1-CB 3.25Å; T86-A89 WeakPolarHBondContact OG1-CB 3.08Å; T86-A89 PolarHBondContact OG1-N 3.4Å; A89-G92 PolarHBondContact O-N 2.73Å; A89-A93 VanDerWaalsContact O-CB 3.24Å; A89-A93 WeakPolarHBondContact O-CB 3.44Å; A89-A93 PolarHBondContact O-N 2.91Å; A89-F139 HydrophobicContact CB-CB 4.47Å; A89-F139 HydrophobicContact CB-CD1 4.12Å
90	L	91.9	Very high	87.3	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.1	-44.3	176	179.5	56	0	0	0	111.8	Y82 T85 T86 S87 I94 Y189 V237 I244	Y82-L90 HydrophobicContact CD1-CD2 4.34Å; T85-L90 HydrophobicContact CG2-CB 4.04Å; T86-L90 WeakPolarHBondContact O-CB 3.41Å; T86-L90 PolarHBondContact O-N 3.47Å; S87-L90 PolarHBondContact O-N 3.06Å; L90-I94 HydrophobicContact CD1-CD1 3.97Å; L90-I94 HydrophobicContact CD1-CG1 4.31Å; L90-I94 HydrophobicContact CG-CD1 4.03Å; L90-I94 WeakPolarHBondContact O-CD1 3.32Å; L90-I94 WeakPolarHBondContact O-CG1 3.48Å; L90-I94 PolarHBondContact O-N 3.18Å; L90-Y189 HydrophobicContact CD2-CE2 4.22Å; L90-Y189 WeakPolarHBondContact CD2-OH 3.48Å; L90-Y189 HydrophobicContact CG-CE2 4.42Å; L90-V237 HydrophobicContact CD1-CB 4.22Å; L90-V237 HydrophobicContact CD1-CG1 4.47Å; L90-V237 HydrophobicContact CD1-CG2 4.1Å; L90-I244 HydrophobicContact CD1-CB 4.23Å; L90-I244 HydrophobicContact CD1-CD1 4.01Å; L90-I244 HydrophobicContact CD1-CG2 3.75Å; L90-I244 HydrophobicContact CD2-CD1 4.2Å; L90-I244 HydrophobicContact CD2-CG2 3.95Å
91	K	93.2	Very high	88.3	Confident	43 Å²	43	31.8 Å²	31.8	19%	0.187	16%	0.164	C	C	.	.	H	α-helix	trans	-59.4	-52.5	172.8	-70.7	171.4	-171.4	-168.4	0	110.8	S87 S88 A93 I94 Q95 L175 Y189	S87-K91 WeakPolarHBondContact O-CB 3.48Å; S87-K91 VanDerWaalsContact O-CG 3.24Å; S87-K91 WeakPolarHBondContact O-CG 3.33Å; S87-K91 PolarHBondContact O-N 3.18Å; S88-K91 PolarHBondContact O-N 3.38Å; K91-A93 VanDerWaalsContact C-N 3.33Å; K91-A93 PolarHBondContact O-N 3.13Å; K91-I94 WeakPolarHBondContact O-CB 3.31Å; K91-I94 PolarHBondContact O-N 2.91Å; K91-Q95 WeakPolarHBondContact O-CG 3.5Å; K91-Q95 PolarHBondContact O-N 2.98Å; K91-L175 HydrophobicContact CB-CD1 4.34Å; K91-L175 HydrophobicContact CD-CB 4.17Å; K91-L175 VanDerWaalsContact CE-O 3.28Å; K91-L175 WeakPolarHBondContact CE-O 3.48Å; K91-L175 HydrophobicContact CG-CB 4.11Å; K91-L175 HydrophobicContact CG-CD1 4.35Å; K91-L175 PolarHBondContact NZ-O 2.89Å; K91-Y189 HydrophobicContact CD-CD1 4.43Å; K91-Y189 HydrophobicContact CD-CE1 4.15Å; K91-Y189 HydrophobicContact CG-CD1 4.07Å; K91-Y189 HydrophobicContact CG-CE1 3.72Å
92	G	94.1	Very high	89.4	Confident	5 Å²	5	30.7 Å²	30.7	5%	0.052	16%	0.157	C	C	.	.	H	α-helix	trans	-55.2	-46	179.3	0	0	0	0	0	113.1	S88 A89 I94 Q95 L96 F139	S88-G92 PolarHBondContact O-N 3.28Å; A89-G92 PolarHBondContact O-N 2.73Å; G92-I94 VanDerWaalsContact C-N 3.35Å; G92-I94 PolarHBondContact O-N 3.32Å; G92-Q95 PolarHBondContact O-N 3.37Å; G92-L96 WeakPolarHBondContact O-CB 3.24Å; G92-L96 WeakPolarHBondContact O-CG 3.39Å; G92-L96 PolarHBondContact O-N 3.28Å; G92-F139 VanDerWaalsContact CA-CE2 3.5Å
93	A	95.4	Very high	90.4	Very high	3 Å²	3	30.8 Å²	30.8	3%	0.025	17%	0.167	C	C	.	.	H	α-helix	trans	-65	-34.2	176.6	0	0	0	0	0	113.5	A89 K91 G97 F142 V237	A89-A93 VanDerWaalsContact O-CB 3.24Å; A89-A93 WeakPolarHBondContact O-CB 3.44Å; A89-A93 PolarHBondContact O-N 2.91Å; K91-A93 VanDerWaalsContact C-N 3.33Å; K91-A93 PolarHBondContact O-N 3.13Å; A93-G97 PolarHBondContact O-N 3.23Å; A93-F142 HydrophobicContact CB-CD1 4.01Å; A93-F142 HydrophobicContact CB-CD2 3.79Å; A93-F142 HydrophobicContact CB-CE1 3.92Å; A93-F142 HydrophobicContact CB-CE2 3.69Å; A93-F142 HydrophobicContact CB-CG 3.96Å; A93-F142 HydrophobicContact CB-CZ 3.77Å; A93-V237 HydrophobicContact CB-CG1 3.77Å; A93-V237 HydrophobicContact CB-CG2 4.16Å
94	I	96.1	Very high	91.3	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-67	-47.8	172.2	-69.9	164.3	0	0	0	110.4	L90 K91 G92 G97 I98 L175 Y189 I198 V237 V246	L90-I94 HydrophobicContact CD1-CD1 3.97Å; L90-I94 HydrophobicContact CD1-CG1 4.31Å; L90-I94 HydrophobicContact CG-CD1 4.03Å; L90-I94 WeakPolarHBondContact O-CD1 3.32Å; L90-I94 WeakPolarHBondContact O-CG1 3.48Å; L90-I94 PolarHBondContact O-N 3.18Å; K91-I94 WeakPolarHBondContact O-CB 3.31Å; K91-I94 PolarHBondContact O-N 2.91Å; G92-I94 VanDerWaalsContact C-N 3.35Å; G92-I94 PolarHBondContact O-N 3.32Å; I94-G97 PolarHBondContact O-N 3.32Å; I94-I98 HydrophobicContact CG2-CD1 3.75Å; I94-I98 HydrophobicContact CG2-CG1 4.43Å; I94-I98 WeakPolarHBondContact O-CB 3.45Å; I94-I98 VanDerWaalsContact O-CG1 3.3Å; I94-I98 WeakPolarHBondContact O-CG1 3.43Å; I94-I98 PolarHBondContact O-N 2.89Å; I94-L175 HydrophobicContact CG2-CD1 4.32Å; I94-Y189 HydrophobicContact CD1-CD2 4.42Å; I94-Y189 HydrophobicContact CD1-CE2 4.24Å; I94-I198 HydrophobicContact CG2-CD1 3.98Å; I94-V237 HydrophobicContact CG1-CG2 3.98Å; I94-V246 HydrophobicContact CD1-CG1 4.03Å; I94-V246 HydrophobicContact CD1-CG2 4.41Å; I94-V246 HydrophobicContact CG1-CG2 4.36Å
95	Q	96.6	Very high	92.3	Very high	37 Å²	37	20.9 Å²	20.9	17%	0.173	13%	0.127	C	C	.	.	H	α-helix	trans	-67.9	-46.2	-175.8	-64.3	-173.3	-82.6	0	0	112	K91 G92 G99 L170 C171 E173 L175	K91-Q95 WeakPolarHBondContact O-CG 3.5Å; K91-Q95 PolarHBondContact O-N 2.98Å; G92-Q95 PolarHBondContact O-N 3.37Å; Q95-G99 PolarHBondContact O-N 2.89Å; Q95-L170 WeakPolarHBondContact CG-O 3.31Å; Q95-L170 PolarHBondContact NE2-O 2.95Å; Q95-C171 PolarHBondContact O-SG 3.07Å; Q95-E173 PolarHBondContact NE2-O 3.11Å; Q95-L175 HydrophobicContact CG-CD1 3.73Å; Q95-L175 HydrophobicContact CG-CG 4.15Å
96	L	95.8	Very high	93	Very high	50 Å²	50	23.1 Å²	23.1	26%	0.262	14%	0.144	S	C	.	.	H	α-helix	trans	-63.2	-43.3	173.9	-69.6	171.4	0	0	0	111.9	G92 G99 Y100 F126 H137 F139 F142	G92-L96 WeakPolarHBondContact O-CB 3.24Å; G92-L96 WeakPolarHBondContact O-CG 3.39Å; G92-L96 PolarHBondContact O-N 3.28Å; L96-G99 PolarHBondContact O-N 3.33Å; L96-Y100 WeakPolarHBondContact O-CB 3.33Å; L96-Y100 PolarHBondContact O-N 3.34Å; L96-F126 HydrophobicContact CB-CE1 4.39Å; L96-H137 HydrophobicContact CD1-CB 3.8Å; L96-F139 HydrophobicContact CD1-CD2 3.77Å; L96-F139 HydrophobicContact CD1-CE2 3.91Å; L96-F142 HydrophobicContact CB-CZ 4.23Å; L96-F142 HydrophobicContact CD1-CE1 4.48Å; L96-F142 HydrophobicContact CD1-CZ 4.47Å
97	G	96.7	Very high	93.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.7	-50.3	-179.4	0	0	0	0	0	113.1	A93 I94 T101	A93-G97 PolarHBondContact O-N 3.23Å; I94-G97 PolarHBondContact O-N 3.32Å; G97-T101 WeakPolarHBondContact O-CG2 3.32Å; G97-T101 PolarHBondContact O-N 2.96Å; G97-T101 PolarHBondContact O-OG1 3.29Å; G97-T101 VanDerWaalsContact O-OG1 3.14Å
98	I	97.4	Very high	93.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.9	-42.2	176.4	-66.1	178	0	0	0	110.6	I94 Y100 T101 V102 F144 Y166 L170 Y235 V248	I94-I98 HydrophobicContact CG2-CD1 3.75Å; I94-I98 HydrophobicContact CG2-CG1 4.43Å; I94-I98 WeakPolarHBondContact O-CB 3.45Å; I94-I98 VanDerWaalsContact O-CG1 3.3Å; I94-I98 WeakPolarHBondContact O-CG1 3.43Å; I94-I98 PolarHBondContact O-N 2.89Å; I98-Y100 PolarHBondContact O-N 3.14Å; I98-T101 PolarHBondContact O-N 2.59Å; I98-V102 HydrophobicContact CG2-CG2 3.98Å; I98-V102 WeakPolarHBondContact O-CB 3.41Å; I98-V102 WeakPolarHBondContact O-CG2 3.29Å; I98-V102 PolarHBondContact O-N 2.86Å; I98-F144 HydrophobicContact CG1-CZ 3.93Å; I98-Y166 HydrophobicContact CG2-CD1 4.49Å; I98-Y166 HydrophobicContact CG2-CE1 3.91Å; I98-L170 HydrophobicContact CD1-CD1 4.43Å; I98-L170 HydrophobicContact CG2-CD1 4.38Å; I98-Y235 HydrophobicContact CD1-CD2 4.09Å; I98-Y235 HydrophobicContact CD1-CE2 3.71Å; I98-Y235 HydrophobicContact CG1-CD1 4.38Å; I98-Y235 HydrophobicContact CG1-CD2 4.25Å; I98-Y235 HydrophobicContact CG1-CE1 4.05Å; I98-Y235 HydrophobicContact CG1-CE2 3.91Å; I98-Y235 HydrophobicContact CG1-CG 4.47Å; I98-V248 HydrophobicContact CD1-CG2 4.14Å
99	G	96.1	Very high	93.6	Very high	24 Å²	24	31.4 Å²	31.4	25%	0.247	19%	0.192	C	C	.	.	H	α-helix	trans	-54.5	-51.9	178.4	0	0	0	0	0	112	Q95 L96 G103 C171	Q95-G99 PolarHBondContact O-N 2.89Å; L96-G99 PolarHBondContact O-N 3.33Å; G99-G103 PolarHBondContact O-N 3.23Å; G99-G103 VanDerWaalsContact O-N 3.08Å; G99-C171 PolarHBondContact N-SG 3.15Å
100	Y	95.4	Very high	93.6	Very high	51 Å²	51	38.7 Å²	38.7	20%	0.2	23%	0.225	C	C	.	.	H	α-helix	trans	-65.9	-49.8	176.7	-179	-95.4	0	0	0	112.8	L96 I98 N104 I124 F126 L133	L96-Y100 WeakPolarHBondContact O-CB 3.33Å; L96-Y100 PolarHBondContact O-N 3.34Å; I98-Y100 PolarHBondContact O-N 3.14Å; Y100-N104 WeakPolarHBondContact O-CB 3.2Å; Y100-N104 PolarHBondContact O-N 3.46Å; Y100-I124 HydrophobicContact CD1-CD1 4.1Å; Y100-I124 HydrophobicContact CD1-CG1 4.43Å; Y100-I124 HydrophobicContact CD1-CG2 4.28Å; Y100-I124 HydrophobicContact CE1-CB 4.38Å; Y100-I124 HydrophobicContact CE1-CD1 3.79Å; Y100-I124 HydrophobicContact CE1-CG1 3.85Å; Y100-I124 HydrophobicContact CE1-CG2 3.94Å; Y100-F126 HydrophobicContact CD1-CZ 4.11Å; Y100-F126 HydrophobicContact CG-CZ 4Å; Y100-L133 WeakPolarHBondContact CE2-O 3.44Å
101	T	95.5	Very high	93.7	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.043	25%	0.247	C	C	.	.	H	α-helix	trans	-74	-31.2	-171.6	62.7	0	0	0	0	113.8	G97 I98 L105 I124 F144 T146	G97-T101 WeakPolarHBondContact O-CG2 3.32Å; G97-T101 PolarHBondContact O-N 2.96Å; G97-T101 PolarHBondContact O-OG1 3.29Å; G97-T101 VanDerWaalsContact O-OG1 3.14Å; I98-T101 PolarHBondContact O-N 2.59Å; T101-L105 WeakPolarHBondContact O-CB 3.42Å; T101-L105 PolarHBondContact O-N 2.9Å; T101-L105 VanDerWaalsContact O-N 3.13Å; T101-I124 HydrophobicContact CG2-CD1 3.68Å; T101-F144 HydrophobicContact CG2-CD1 4.03Å; T101-F144 HydrophobicContact CG2-CE1 4.3Å; T101-T146 WeakPolarHBondContact CG2-OG1 3.43Å; T101-T146 PolarHBondContact OG1-OG1 3.43Å
102	V	95.6	Very high	93.7	Very high	4 Å²	4	49 Å²	49	2%	0.024	27%	0.272	C	S	.	.	H	α-helix	trans	-78.9	-39.3	173.7	177.5	0	0	0	0	111.2	I98 L105 S106 R156 P163 Y166 L167	I98-V102 HydrophobicContact CG2-CG2 3.98Å; I98-V102 WeakPolarHBondContact O-CB 3.41Å; I98-V102 WeakPolarHBondContact O-CG2 3.29Å; I98-V102 PolarHBondContact O-N 2.86Å; V102-L105 PolarHBondContact O-N 3.44Å; V102-L105 VanDerWaalsContact O-N 3.16Å; V102-S106 PolarHBondContact O-N 3.41Å; V102-S106 PolarHBondContact O-OG 2.85Å; V102-R156 VanDerWaalsContact CG1-NH1 3.34Å; V102-P163 HydrophobicContact CG1-CB 4.37Å; V102-Y166 HydrophobicContact CG1-CD1 4.45Å; V102-Y166 HydrophobicContact CG2-CD1 4.28Å; V102-Y166 HydrophobicContact CG2-CE1 4.02Å; V102-L167 HydrophobicContact CB-CD2 3.95Å; V102-L167 HydrophobicContact CB-CG 4.27Å; V102-L167 HydrophobicContact CG1-CD1 4.09Å; V102-L167 HydrophobicContact CG1-CD2 4.19Å; V102-L167 HydrophobicContact CG1-CG 3.95Å
103	G	92.9	Very high	93.8	Very high	32 Å²	32	49.6 Å²	49.6	33%	0.33	28%	0.275	S	S	.	.	H	α-helix	trans	-58.9	-49.1	173	0	0	0	0	0	112.2	G99 L105 S106 S107	G99-G103 PolarHBondContact O-N 3.23Å; G99-G103 VanDerWaalsContact O-N 3.08Å; G103-L105 PolarHBondContact O-N 2.86Å; G103-S106 PolarHBondContact O-N 2.92Å; G103-S106 VanDerWaalsContact O-N 3.15Å; G103-S107 PolarHBondContact O-N 2.91Å
104	N	91.9	Very high	93.8	Very high	59 Å²	59	53.9 Å²	53.9	32%	0.316	30%	0.297	S	S	.	.	H	α-helix	trans	-72.3	-9.9	176.2	-173.5	54.9	0	0	0	114.3	Y100 S107 K108	Y100-N104 WeakPolarHBondContact O-CB 3.2Å; Y100-N104 PolarHBondContact O-N 3.46Å; N104-S107 PolarHBondContact O-OG 3.48Å; N104-K108 WeakPolarHBondContact O-CE 3.32Å; N104-K108 WeakPolarHBondContact O-CG 3.14Å
105	L	92	Very high	93.8	Very high	7 Å²	7	59.2 Å²	59.2	4%	0.037	32%	0.323	C	S	.	.	H	α-helix	trans	-90.6	-26.8	169.1	-177.6	59.9	0	0	0	111.8	T101 V102 G103 S107 K108 P149 R153	T101-L105 WeakPolarHBondContact O-CB 3.42Å; T101-L105 PolarHBondContact O-N 2.9Å; T101-L105 VanDerWaalsContact O-N 3.13Å; V102-L105 PolarHBondContact O-N 3.44Å; V102-L105 VanDerWaalsContact O-N 3.16Å; G103-L105 PolarHBondContact O-N 2.86Å; L105-S107 VanDerWaalsContact C-N 3.32Å; L105-K108 HydrophobicContact CD1-CD 4.01Å; L105-K108 PolarHBondContact O-N 3.26Å; L105-P149 HydrophobicContact CD2-CB 4.05Å; L105-P149 WeakPolarHBondContact CD2-O 3.44Å; L105-R153 HydrophobicContact CD2-CB 3.89Å; L105-R153 PolarHBondContact O-NH1 2.9Å
106	S	90.4	Very high	93.7	Very high	63 Å²	63	63.7 Å²	63.7	44%	0.441	34%	0.344	S	S	.	.	H	α-helix	trans	-76.4	-19.8	177.5	-52.6	0	0	0	0	112.6	V102 G103	V102-S106 PolarHBondContact O-N 3.41Å; V102-S106 PolarHBondContact O-OG 2.85Å; G103-S106 PolarHBondContact O-N 2.92Å; G103-S106 VanDerWaalsContact O-N 3.15Å
107	S	89	Confident	93.8	Very high	88 Å²	88	61.8 Å²	61.8	62%	0.615	33%	0.334	S	S	*	.	S	Bend	trans	-82.5	-15.6	168.8	59.3	0	0	0	0	113.9	G103 N104 L105	G103-S107 PolarHBondContact O-N 2.91Å; N104-S107 PolarHBondContact O-OG 3.48Å; L105-S107 VanDerWaalsContact C-N 3.32Å
108	K	90.3	Very high	93.8	Very high	67 Å²	67	62 Å²	62	29%	0.291	34%	0.336	S	S	.	.	S	Bend	trans	-84.8	133	174.5	-64.7	171.2	-171.4	169.7	0	108.9	N104 L105 E122 R153	N104-K108 WeakPolarHBondContact O-CE 3.32Å; N104-K108 WeakPolarHBondContact O-CG 3.14Å; L105-K108 HydrophobicContact CD1-CD 4.01Å; L105-K108 PolarHBondContact O-N 3.26Å; K108-E122 IonicContact NZ-OE1 2.83Å; K108-E122 PolarHBondContact NZ-OE1 2.79Å; K108-E122 IonicContact NZ-OE2 3.53Å; K108-E122 PolarHBondContact NZ-OE2 2.68Å; K108-R153 PolarHBondContact O-NH1 3.32Å
109	P	89.9	Confident	93.8	Very high	111 Å²	111	68.5 Å²	68.5	72%	0.721	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-56.9	154.1	-177.4	22.9	-33.7	0	0	0	113.4	R153	P109-R153 PolarHBondContact O-NH1 3.29Å; P109-R153 PolarHBondContact O-NH2 3.27Å
110	E	89.1	Confident	93.8	Very high	161 Å²	161	70 Å²	70	75%	0.752	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-68.9	143.1	172.2	-76.1	166.2	-149.3	0	0	111.1
111	R	94	Very high	93.9	Very high	123 Å²	123	70.3 Å²	70.3	46%	0.464	37%	0.372	S	S	.	.			trans	-163.1	158.4	176.2	65.4	162.6	-177.2	81.6	-6.9	109.8	D117	R111-D117 IonicContact CZ-OD1 2.74Å; R111-D117 IonicContact CZ-OD2 3.86Å; R111-D117 IonicContact NH1-OD1 3.88Å; R111-D117 IonicContact NH1-OD2 2.6Å; R111-D117 PolarHBondContact NH1-OD2 2.83Å; R111-D117 IonicContact NH2-OD1 3.75Å; R111-D117 PolarHBondContact NH2-OD1 2.83Å; R111-D117 IonicContact NH2-OD2 2.77Å; R111-D117 PolarHBondContact NH2-OD2 3.45Å
112	D	93.3	Very high	94	Very high	135 Å²	135	72.6 Å²	72.6	72%	0.722	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-59.1	152.8	174.9	-60.2	-48.1	0	0	0	113
113	V	95.8	Very high	94	Very high	19 Å²	19	75 Å²	75	12%	0.115	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-79.3	123.5	174.6	-172.8	0	0	0	0	109.4	D117 F118 V150 A151 Y154 Y217	V113-D117 HydrophobicContact CG1-CB 4.09Å; V113-F118 HydrophobicContact CG1-CE1 3.92Å; V113-F118 HydrophobicContact CG1-CE2 4.23Å; V113-F118 HydrophobicContact CG1-CZ 3.71Å; V113-V150 HydrophobicContact CG2-CG1 4.47Å; V113-A151 HydrophobicContact CG1-CB 4.04Å; V113-Y154 VanDerWaalsContact CG2-CB 3.42Å; V113-Y154 HydrophobicContact CG2-CD1 4.22Å; V113-Y154 HydrophobicContact CG2-CD2 4.11Å; V113-Y154 HydrophobicContact CG2-CG 3.66Å; V113-Y217 HydrophobicContact CB-CE2 4.24Å; V113-Y217 HydrophobicContact CG2-CE2 4.36Å
114	L	96.3	Very high	94.2	Very high	93 Å²	93	74.7 Å²	74.7	49%	0.487	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-99.9	159.3	175.5	-56.3	179.8	0	0	0	110.6	Q116 D117	L114-Q116 PolarHBondContact O-N 3.02Å; L114-Q116 VanDerWaalsContact O-N 3.12Å; L114-D117 PolarHBondContact N-OD2 2.84Å; L114-D117 WeakPolarHBondContact O-CB 3.16Å; L114-D117 PolarHBondContact O-N 2.92Å
115	M	95.4	Very high	94.4	Very high	112 Å²	112	76.1 Å²	76.1	55%	0.552	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.4	-178.4	-172.1	57.5	64.9	0	0	112.9	D117 F118 Y119 P214	M115-D117 VanDerWaalsContact C-N 3.32Å; M115-D117 PolarHBondContact O-N 3.37Å; M115-F118 HydrophobicContact SD-CD2 3.86Å; M115-F118 HydrophobicContact SD-CE2 4.17Å; M115-Y119 VanDerWaalsContact O-CD2 3.27Å; M115-Y119 WeakPolarHBondContact O-CD2 3.18Å; M115-Y119 WeakPolarHBondContact O-CE2 3.46Å; M115-Y119 HydrophobicContact SD-CE2 4.47Å; M115-P214 HydrophobicContact CE-CB 4.3Å; M115-P214 HydrophobicContact SD-CB 4.05Å; M115-P214 HydrophobicContact SD-CG 4.09Å
116	Q	95.9	Very high	94.6	Very high	131 Å²	131	75.9 Å²	75.9	61%	0.612	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-33.2	174.7	-60.9	84.6	-11.2	0	0	112.6	L114 F118 Y119 V120	L114-Q116 PolarHBondContact O-N 3.02Å; L114-Q116 VanDerWaalsContact O-N 3.12Å; Q116-F118 VanDerWaalsContact C-N 3.25Å; Q116-F118 PolarHBondContact O-N 2.95Å; Q116-Y119 PolarHBondContact O-N 3.12Å; Q116-V120 PolarHBondContact O-N 3.01Å
117	D	97	Very high	94.9	Very high	10 Å²	10	73.9 Å²	73.9	5%	0.053	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-29.5	-172.6	-69.4	-50.4	0	0	0	113	R111 V113 L114 M115 Y119 V120 A148 V150	R111-D117 IonicContact CZ-OD1 2.74Å; R111-D117 IonicContact CZ-OD2 3.86Å; R111-D117 IonicContact NH1-OD1 3.88Å; R111-D117 IonicContact NH1-OD2 2.6Å; R111-D117 PolarHBondContact NH1-OD2 2.83Å; R111-D117 IonicContact NH2-OD1 3.75Å; R111-D117 PolarHBondContact NH2-OD1 2.83Å; R111-D117 IonicContact NH2-OD2 2.77Å; R111-D117 PolarHBondContact NH2-OD2 3.45Å; V113-D117 HydrophobicContact CG1-CB 4.09Å; L114-D117 PolarHBondContact N-OD2 2.84Å; L114-D117 WeakPolarHBondContact O-CB 3.16Å; L114-D117 PolarHBondContact O-N 2.92Å; M115-D117 VanDerWaalsContact C-N 3.32Å; M115-D117 PolarHBondContact O-N 3.37Å; D117-Y119 PolarHBondContact O-N 3.42Å; D117-V120 PolarHBondContact O-N 3.45Å; D117-A148 VanDerWaalsContact O-CA 3.28Å; D117-A148 WeakPolarHBondContact O-CA 3.03Å; D117-A148 WeakPolarHBondContact O-CB 3.49Å; D117-V150 HydrophobicContact CB-CB 4.24Å
118	F	97.3	Very high	95.2	Very high	6 Å²	6	71.8 Å²	71.8	3%	0.026	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.6	175.2	-58.3	-62.1	0	0	0	113	V113 M115 Q116 A151 F155 Q210 L213 P214 Y217	V113-F118 HydrophobicContact CG1-CE1 3.92Å; V113-F118 HydrophobicContact CG1-CE2 4.23Å; V113-F118 HydrophobicContact CG1-CZ 3.71Å; M115-F118 HydrophobicContact SD-CD2 3.86Å; M115-F118 HydrophobicContact SD-CE2 4.17Å; Q116-F118 VanDerWaalsContact C-N 3.25Å; Q116-F118 PolarHBondContact O-N 2.95Å; F118-A151 HydrophobicContact CD1-CB 3.67Å; F118-A151 HydrophobicContact CE1-CB 3.68Å; F118-F155 HydrophobicContact CE1-CZ 4.15Å; F118-Q210 WeakPolarHBondContact O-CG 3.43Å; F118-Q210 PolarHBondContact O-NE2 2.78Å; F118-L213 HydrophobicContact CB-CB 4.34Å; F118-L213 HydrophobicContact CD1-CB 3.5Å; F118-L213 VanDerWaalsContact CD1-CB 3.5Å; F118-L213 HydrophobicContact CD1-CD1 4.28Å; F118-L213 HydrophobicContact CE1-CB 4.13Å; F118-L213 HydrophobicContact CG-CB 4.18Å; F118-P214 HydrophobicContact CB-CG 4.17Å; F118-P214 HydrophobicContact CD2-CB 4.14Å; F118-P214 HydrophobicContact CD2-CG 3.76Å; F118-P214 HydrophobicContact CE2-CB 4.17Å; F118-P214 HydrophobicContact CE2-CG 4.3Å; F118-P214 HydrophobicContact CG-CG 3.95Å; F118-Y217 HydrophobicContact CZ-CD2 4.11Å; F118-Y217 AromaticContact CZ-CG 3.96Å; F118-Y217 HydrophobicContact CZ-CG 3.96Å
119	Y	95.9	Very high	95.4	Very high	136 Å²	136	77.2 Å²	77.2	53%	0.533	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-13.4	-178	-58.4	-79.6	0	0	0	113.6	M115 Q116 D117 Q210	M115-Y119 VanDerWaalsContact O-CD2 3.27Å; M115-Y119 WeakPolarHBondContact O-CD2 3.18Å; M115-Y119 WeakPolarHBondContact O-CE2 3.46Å; M115-Y119 HydrophobicContact SD-CE2 4.47Å; Q116-Y119 PolarHBondContact O-N 3.12Å; D117-Y119 PolarHBondContact O-N 3.42Å; Y119-Q210 PolarHBondContact O-NE2 3.19Å
120	V	96.9	Very high	95.6	Very high	54 Å²	54	73 Å²	73	33%	0.327	37%	0.365	S	S	.	.			trans	-62.2	139.1	178.4	173.6	0	0	0	0	111.3	Q116 D117 E122 A148 P149	Q116-V120 PolarHBondContact O-N 3.01Å; D117-V120 PolarHBondContact O-N 3.45Å; V120-E122 HydrophobicContact CG1-CG 4.31Å; V120-A148 PolarHBondContact O-N 2.86Å; V120-P149 HydrophobicContact CG1-CG 4.29Å
121	V	97.6	Very high	95.8	Very high	59 Å²	59	68 Å²	68	36%	0.358	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	106.9	168.7	-172.3	0	0	0	0	109	K145 T146 Y147	V121-K145 HydrophobicContact CG1-CB 4.03Å; V121-T146 CarbonylContact C-O 3.59Å; V121-T146 WeakPolarHBondContact CA-O 3.48Å; V121-Y147 HydrophobicContact CB-CD1 4.44Å; V121-Y147 HydrophobicContact CG1-CD1 4.09Å; V121-Y147 HydrophobicContact CG1-CD2 4.39Å; V121-Y147 HydrophobicContact CG1-CE1 4.06Å; V121-Y147 HydrophobicContact CG1-CE2 4.37Å; V121-Y147 HydrophobicContact CG1-CG 4.25Å; V121-Y147 HydrophobicContact CG2-CD1 3.49Å; V121-Y147 VanDerWaalsContact CG2-CD1 3.49Å; V121-Y147 HydrophobicContact CG2-CE1 3.78Å; V121-Y147 HydrophobicContact CG2-CG 4.2Å
122	E	96.7	Very high	95.7	Very high	55 Å²	55	70.7 Å²	70.7	26%	0.257	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	144.5	172.8	-69.5	-172.6	168.9	0	0	109.7	K108 V120 K145 T146 P149	K108-E122 IonicContact NZ-OE1 2.83Å; K108-E122 PolarHBondContact NZ-OE1 2.79Å; K108-E122 IonicContact NZ-OE2 3.53Å; K108-E122 PolarHBondContact NZ-OE2 2.68Å; V120-E122 HydrophobicContact CG1-CG 4.31Å; E122-K145 CarbonylContact O-C 3.5Å; E122-K145 VanDerWaalsContact O-CA 3.24Å; E122-K145 WeakPolarHBondContact O-CA 3.42Å; E122-T146 PolarHBondContact N-O 3.17Å; E122-T146 PolarHBondContact O-N 2.86Å; E122-P149 HydrophobicContact CG-CG 4.11Å
123	S	96.8	Very high	95.5	Very high	53 Å²	53	70 Å²	70	37%	0.371	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	107.5	-168.1	175.6	0	0	0	0	111.1	R143	S123-R143 PolarHBondContact OG-NH1 2.98Å; S123-R143 VanDerWaalsContact OG-NH1 3.11Å
124	I	96.6	Very high	95.4	Very high	26 Å²	26	69.3 Å²	69.3	13%	0.133	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	144.5	-177.3	-63.2	114.2	0	0	0	110.3	Y100 T101 F126 T134 R143 F144	Y100-I124 HydrophobicContact CD1-CD1 4.1Å; Y100-I124 HydrophobicContact CD1-CG1 4.43Å; Y100-I124 HydrophobicContact CD1-CG2 4.28Å; Y100-I124 HydrophobicContact CE1-CB 4.38Å; Y100-I124 HydrophobicContact CE1-CD1 3.79Å; Y100-I124 HydrophobicContact CE1-CG1 3.85Å; Y100-I124 HydrophobicContact CE1-CG2 3.94Å; T101-I124 HydrophobicContact CG2-CD1 3.68Å; I124-F126 HydrophobicContact CB-CE2 4.01Å; I124-F126 HydrophobicContact CG2-CD2 4.09Å; I124-F126 HydrophobicContact CG2-CE2 3.61Å; I124-F126 HydrophobicContact CG2-CZ 4.2Å; I124-T134 HydrophobicContact CG2-CG2 3.78Å; I124-R143 CarbonylContact O-C 3.55Å; I124-R143 WeakPolarHBondContact O-CA 3Å; I124-R143 WeakPolarHBondContact O-CG 3.45Å; I124-F144 PolarHBondContact N-O 3.03Å; I124-F144 PolarHBondContact O-N 2.9Å
125	F	96.6	Very high	95.2	Very high	90 Å²	90	68.5 Å²	68.5	40%	0.395	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	136	176.9	179.8	-121.8	0	0	0	110.6	P127 T134 D141 F142 R143	F125-P127 HydrophobicContact CD1-CB 4.46Å; F125-P127 HydrophobicContact CD1-CG 4.34Å; F125-P127 HydrophobicContact CE1-CB 3.74Å; F125-P127 HydrophobicContact CE1-CG 4.08Å; F125-P127 HydrophobicContact CZ-CB 4.09Å; F125-T134 WeakPolarHBondContact O-CG2 3.13Å; F125-D141 HydrophobicContact CE2-CB 4.13Å; F125-D141 HydrophobicContact CZ-CB 4.1Å; F125-F142 VanDerWaalsContact CD2-O 3.25Å; F125-F142 WeakPolarHBondContact CD2-O 3.23Å; F125-R143 HydrophobicContact CD2-CB 4.39Å
126	F	97	Very high	95.1	Very high	1 Å²	1	66.4 Å²	66.4	0%	0.004	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	90.8	-179	-73	-102	0	0	0	108.1	L96 Y100 I124 T134 H137 D141 F142 F144	L96-F126 HydrophobicContact CB-CE1 4.39Å; Y100-F126 HydrophobicContact CD1-CZ 4.11Å; Y100-F126 HydrophobicContact CG-CZ 4Å; I124-F126 HydrophobicContact CB-CE2 4.01Å; I124-F126 HydrophobicContact CG2-CD2 4.09Å; I124-F126 HydrophobicContact CG2-CE2 3.61Å; I124-F126 HydrophobicContact CG2-CZ 4.2Å; F126-T134 HydrophobicContact CD1-CG2 3.74Å; F126-T134 HydrophobicContact CD2-CG2 4.31Å; F126-T134 HydrophobicContact CE1-CG2 3.71Å; F126-T134 HydrophobicContact CE2-CG2 4.27Å; F126-T134 HydrophobicContact CG-CG2 4.05Å; F126-T134 HydrophobicContact CZ-CG2 3.98Å; F126-H137 PolarHBondContact O-NE2 3.44Å; F126-D141 WeakPolarHBondContact O-CA 3.37Å; F126-F142 HydrophobicContact CB-CD1 3.8Å; F126-F142 HydrophobicContact CB-CD2 4.16Å; F126-F142 HydrophobicContact CB-CE1 3.45Å; F126-F142 VanDerWaalsContact CB-CE1 3.45Å; F126-F142 HydrophobicContact CB-CE2 3.85Å; F126-F142 HydrophobicContact CB-CG 4.14Å; F126-F142 HydrophobicContact CB-CZ 3.47Å; F126-F142 VanDerWaalsContact CB-CZ 3.47Å; F126-F142 HydrophobicContact CD1-CE1 4.37Å; F126-F142 HydrophobicContact CD1-CE2 4.35Å; F126-F142 AromaticContact CD1-CZ 3.77Å; F126-F142 HydrophobicContact CD1-CZ 3.77Å; F126-F142 HydrophobicContact CD2-CD2 4.28Å; F126-F142 AromaticContact CD2-CE2 3.69Å; F126-F142 HydrophobicContact CD2-CE2 3.69Å; F126-F142 AromaticContact CD2-CZ 3.95Å; F126-F142 HydrophobicContact CD2-CZ 3.95Å; F126-F142 HydrophobicContact CE1-CZ 4.49Å; F126-F142 HydrophobicContact CE2-CE2 4.32Å; F126-F142 HydrophobicContact CG-CD2 4.41Å; F126-F142 AromaticContact CG-CE1 4Å; F126-F142 HydrophobicContact CG-CE1 4Å; F126-F142 AromaticContact CG-CE2 3.72Å; F126-F142 HydrophobicContact CG-CE2 3.72Å; F126-F142 AromaticContact CG-CZ 3.47Å; F126-F142 HydrophobicContact CG-CZ 3.47Å; F126-F142 VanDerWaalsContact CG-CZ 3.47Å; F126-F142 PolarHBondContact N-O 2.75Å; F126-F142 PolarHBondContact O-N 2.81Å; F126-F144 HydrophobicContact CD2-CB 4Å; F126-F144 HydrophobicContact CE2-CB 3.7Å
127	P	96.1	Very high	95	Very high	21 Å²	21	61 Å²	61	14%	0.136	34%	0.339	C	S	.	.			trans	-74.6	144.1	169.1	30.4	-33.4	0	0	0	110.7	F125 E129 G130 H137	F125-P127 HydrophobicContact CD1-CB 4.46Å; F125-P127 HydrophobicContact CD1-CG 4.34Å; F125-P127 HydrophobicContact CE1-CB 3.74Å; F125-P127 HydrophobicContact CE1-CG 4.08Å; F125-P127 HydrophobicContact CZ-CB 4.09Å; P127-E129 VanDerWaalsContact C-N 3.29Å; P127-E129 PolarHBondContact O-N 2.79Å; P127-G130 WeakPolarHBondContact CG-O 3.46Å; P127-G130 WeakPolarHBondContact O-CA 3.28Å; P127-G130 PolarHBondContact O-N 3.04Å; P127-H137 PolarHBondContact O-NE2 3.24Å
128	S	94.3	Very high	94.8	Very high	44 Å²	44	70.1 Å²	70.1	31%	0.308	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-37.1	177.9	46.8	0	0	0	0	113.8	G130 A136 H137 F139 D141	S128-G130 PolarHBondContact O-N 3.02Å; S128-A136 WeakPolarHBondContact O-CA 3.46Å; S128-H137 WeakPolarHBondContact CA-O 3.43Å; S128-H137 PolarHBondContact O-N 3.48Å; S128-F139 WeakPolarHBondContact CB-O 3.13Å; S128-D141 VanDerWaalsContact CB-OD1 3.3Å; S128-D141 WeakPolarHBondContact CB-OD1 3.32Å; S128-D141 PolarHBondContact N-OD1 3.47Å; S128-D141 PolarHBondContact OG-OD1 2.95Å
129	E	95.3	Very high	94.4	Very high	182 Å²	182	72.8 Å²	72.8	85%	0.85	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-12.1	174.5	-60	-174.1	165	0	0	113.9	P127 A136	P127-E129 VanDerWaalsContact C-N 3.29Å; P127-E129 PolarHBondContact O-N 2.79Å; E129-A136 WeakPolarHBondContact O-CB 3.22Å
130	G	93.9	Very high	94.2	Very high	21 Å²	21	70.3 Å²	70.3	22%	0.216	39%	0.393	C	S	.	.			trans	84.5	175.3	-174.1	0	0	0	0	0	113.9	P127 S128 T134	P127-G130 WeakPolarHBondContact CG-O 3.46Å; P127-G130 WeakPolarHBondContact O-CA 3.28Å; P127-G130 PolarHBondContact O-N 3.04Å; S128-G130 PolarHBondContact O-N 3.02Å; G130-T134 WeakPolarHBondContact CA-O 2.99Å
131	S	94	Very high	94.1	Very high	58 Å²	58	71 Å²	71	41%	0.406	40%	0.396	S	S	.	.			trans	-151.8	174.9	178.3	77.3	0	0	0	0	111.4	L133 T134	S131-L133 PolarHBondContact O-N 2.87Å; S131-L133 PolarHBondContact OG-N 2.88Å; S131-T134 PolarHBondContact N-O 3.41Å; S131-T134 PolarHBondContact O-N 3.08Å; S131-T134 VanDerWaalsContact O-O 3.13Å; S131-T134 PolarHBondContact OG-N 3.36Å; S131-T134 PolarHBondContact OG-OG1 3.26Å
132	N	91.6	Very high	94	Very high	178 Å²	178	68.4 Å²	68.4	95%	0.952	38%	0.379	S	S	*	.	S	Bend	trans	-61.3	-10.9	173.2	-63.3	-9.9	0	0	0	113.9
133	L	89.6	Confident	94	Very high	122 Å²	122	70.5 Å²	70.5	64%	0.639	39%	0.385	S	S	*	.	S	Bend	trans	-114.3	-33.5	178.2	-61.7	177.5	0	0	0	112.9	Y100 S131	Y100-L133 WeakPolarHBondContact CE2-O 3.44Å; S131-L133 PolarHBondContact O-N 2.87Å; S131-L133 PolarHBondContact OG-N 2.88Å
134	T	93.4	Very high	94.1	Very high	4 Å²	4	68 Å²	68	3%	0.025	37%	0.367	C	S	.	.	S	Bend	trans	-122.5	134.5	-169.1	59.5	0	0	0	0	111.6	I124 F125 F126 G130 S131	I124-T134 HydrophobicContact CG2-CG2 3.78Å; F125-T134 WeakPolarHBondContact O-CG2 3.13Å; F126-T134 HydrophobicContact CD1-CG2 3.74Å; F126-T134 HydrophobicContact CD2-CG2 4.31Å; F126-T134 HydrophobicContact CE1-CG2 3.71Å; F126-T134 HydrophobicContact CE2-CG2 4.27Å; F126-T134 HydrophobicContact CG-CG2 4.05Å; F126-T134 HydrophobicContact CZ-CG2 3.98Å; G130-T134 WeakPolarHBondContact CA-O 2.99Å; S131-T134 PolarHBondContact N-O 3.41Å; S131-T134 PolarHBondContact O-N 3.08Å; S131-T134 VanDerWaalsContact O-O 3.13Å; S131-T134 PolarHBondContact OG-N 3.36Å; S131-T134 PolarHBondContact OG-OG1 3.26Å
135	P	91.6	Very high	94.2	Very high	75 Å²	75	69.3 Å²	69.3	49%	0.487	37%	0.372	S	S	.	.			trans	-64.7	149.9	177.6	29.2	-35.7	0	0	0	111.8
136	A	93.4	Very high	94.3	Very high	69 Å²	69	65.4 Å²	65.4	57%	0.57	36%	0.355	S	S	*	.			trans	-64.3	150.3	171.8	0	0	0	0	0	111.7	S128 E129	S128-A136 WeakPolarHBondContact O-CA 3.46Å; E129-A136 WeakPolarHBondContact O-CB 3.22Å
137	H	93.7	Very high	94.3	Very high	16 Å²	16	66.6 Å²	66.6	7%	0.074	36%	0.36	C	S	.	.			trans	-155.4	152.2	-176.5	56.8	65.1	0	0	0	113.9	L96 F126 P127 S128 F139 F142	L96-H137 HydrophobicContact CD1-CB 3.8Å; F126-H137 PolarHBondContact O-NE2 3.44Å; P127-H137 PolarHBondContact O-NE2 3.24Å; S128-H137 WeakPolarHBondContact CA-O 3.43Å; S128-H137 PolarHBondContact O-N 3.48Å; H137-F139 HydrophobicContact CB-CD2 4.07Å; H137-F139 PolarHBondContact CE1-O 3.12Å; H137-F139 VanDerWaalsContact CE1-O 3.23Å; H137-F139 PolarHBondContact ND1-O 3.3Å; H137-F139 PolarHBondContact O-N 2.86Å; H137-F142 AromaticContact CE1-CD1 3.98Å; H137-F142 AromaticContact CE1-CE1 3.75Å; H137-F142 AromaticContact NE2-CD1 3.98Å; H137-F142 AromaticContact NE2-CE1 3.43Å; H137-F142 WeakPolarHBondContact NE2-CE1 3.48Å
138	H	91.6	Very high	94.4	Very high	203 Å²	203	65.6 Å²	65.6	94%	0.94	35%	0.354	S	S	*	.	S	Bend	trans	-75.5	-4.8	179.5	-52.9	-51.7	0	0	0	114.8
139	F	90.3	Very high	94.6	Very high	62 Å²	62	63.9 Å²	63.9	27%	0.272	34%	0.341	S	S	.	.	S	Bend	trans	-81.4	152.4	176.3	-48	-60.5	0	0	0	111.3	A89 G92 L96 S128 H137	A89-F139 HydrophobicContact CB-CB 4.47Å; A89-F139 HydrophobicContact CB-CD1 4.12Å; G92-F139 VanDerWaalsContact CA-CE2 3.5Å; L96-F139 HydrophobicContact CD1-CD2 3.77Å; L96-F139 HydrophobicContact CD1-CE2 3.91Å; S128-F139 WeakPolarHBondContact CB-O 3.13Å; H137-F139 HydrophobicContact CB-CD2 4.07Å; H137-F139 PolarHBondContact CE1-O 3.12Å; H137-F139 VanDerWaalsContact CE1-O 3.23Å; H137-F139 PolarHBondContact ND1-O 3.3Å; H137-F139 PolarHBondContact O-N 2.86Å
140	P	91.4	Very high	94.7	Very high	83 Å²	83	56 Å²	56	54%	0.539	31%	0.305	S	S	.	.			trans	-59.8	150.2	172.5	-21	32.7	0	0	0	112.2	F142	P140-F142 PolarHBondContact O-N 3.28Å
141	D	94.8	Very high	94.8	Very high	70 Å²	70	55 Å²	55	37%	0.374	30%	0.295	S	S	.	.			trans	-45.9	133.9	176.6	-71.1	23	0	0	0	113	F125 F126 S128 S239	F125-D141 HydrophobicContact CE2-CB 4.13Å; F125-D141 HydrophobicContact CZ-CB 4.1Å; F126-D141 WeakPolarHBondContact O-CA 3.37Å; S128-D141 VanDerWaalsContact CB-OD1 3.3Å; S128-D141 WeakPolarHBondContact CB-OD1 3.32Å; S128-D141 PolarHBondContact N-OD1 3.47Å; S128-D141 PolarHBondContact OG-OD1 2.95Å; D141-S239 PolarHBondContact O-OG 2.94Å
142	F	96.3	Very high	95	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.018	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	156.2	178.7	70	-82.9	0	0	0	112.7	A93 L96 F125 F126 H137 P140 F144 V237 Q238	A93-F142 HydrophobicContact CB-CD1 4.01Å; A93-F142 HydrophobicContact CB-CD2 3.79Å; A93-F142 HydrophobicContact CB-CE1 3.92Å; A93-F142 HydrophobicContact CB-CE2 3.69Å; A93-F142 HydrophobicContact CB-CG 3.96Å; A93-F142 HydrophobicContact CB-CZ 3.77Å; L96-F142 HydrophobicContact CB-CZ 4.23Å; L96-F142 HydrophobicContact CD1-CE1 4.48Å; L96-F142 HydrophobicContact CD1-CZ 4.47Å; F125-F142 VanDerWaalsContact CD2-O 3.25Å; F125-F142 WeakPolarHBondContact CD2-O 3.23Å; F126-F142 HydrophobicContact CB-CD1 3.8Å; F126-F142 HydrophobicContact CB-CD2 4.16Å; F126-F142 HydrophobicContact CB-CE1 3.45Å; F126-F142 VanDerWaalsContact CB-CE1 3.45Å; F126-F142 HydrophobicContact CB-CE2 3.85Å; F126-F142 HydrophobicContact CB-CG 4.14Å; F126-F142 HydrophobicContact CB-CZ 3.47Å; F126-F142 VanDerWaalsContact CB-CZ 3.47Å; F126-F142 HydrophobicContact CD1-CE1 4.37Å; F126-F142 HydrophobicContact CD1-CE2 4.35Å; F126-F142 AromaticContact CD1-CZ 3.77Å; F126-F142 HydrophobicContact CD1-CZ 3.77Å; F126-F142 HydrophobicContact CD2-CD2 4.28Å; F126-F142 AromaticContact CD2-CE2 3.69Å; F126-F142 HydrophobicContact CD2-CE2 3.69Å; F126-F142 AromaticContact CD2-CZ 3.95Å; F126-F142 HydrophobicContact CD2-CZ 3.95Å; F126-F142 HydrophobicContact CE1-CZ 4.49Å; F126-F142 HydrophobicContact CE2-CE2 4.32Å; F126-F142 HydrophobicContact CG-CD2 4.41Å; F126-F142 AromaticContact CG-CE1 4Å; F126-F142 HydrophobicContact CG-CE1 4Å; F126-F142 AromaticContact CG-CE2 3.72Å; F126-F142 HydrophobicContact CG-CE2 3.72Å; F126-F142 AromaticContact CG-CZ 3.47Å; F126-F142 HydrophobicContact CG-CZ 3.47Å; F126-F142 VanDerWaalsContact CG-CZ 3.47Å; F126-F142 PolarHBondContact N-O 2.75Å; F126-F142 PolarHBondContact O-N 2.81Å; H137-F142 AromaticContact CE1-CD1 3.98Å; H137-F142 AromaticContact CE1-CE1 3.75Å; H137-F142 AromaticContact NE2-CD1 3.98Å; H137-F142 AromaticContact NE2-CE1 3.43Å; H137-F142 WeakPolarHBondContact NE2-CE1 3.48Å; P140-F142 PolarHBondContact O-N 3.28Å; F142-F144 HydrophobicContact CD2-CB 4.28Å; F142-F144 HydrophobicContact CE2-CB 4.04Å; F142-F144 HydrophobicContact CE2-CD2 4.26Å; F142-V237 HydrophobicContact CB-CG1 4.29Å; F142-V237 HydrophobicContact CD2-CG1 4.23Å; F142-Q238 CarbonylContact C-O 3.58Å; F142-Q238 WeakPolarHBondContact CA-O 3.15Å
143	R	96.8	Very high	95.2	Very high	98 Å²	98	44.8 Å²	44.8	37%	0.37	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127.3	168.9	179.5	176.9	-74.3	-88.6	6.2	108.7	S123 I124 F125 Q238	S123-R143 PolarHBondContact OG-NH1 2.98Å; S123-R143 VanDerWaalsContact OG-NH1 3.11Å; I124-R143 CarbonylContact O-C 3.55Å; I124-R143 WeakPolarHBondContact O-CA 3Å; I124-R143 WeakPolarHBondContact O-CG 3.45Å; F125-R143 HydrophobicContact CD2-CB 4.39Å; R143-Q238 HydrophobicContact CB-CB 4.25Å; R143-Q238 PolarHBondContact N-O 2.96Å; R143-Q238 PolarHBondContact O-N 3.29Å
144	F	97.9	Very high	95.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126	179.5	-163.3	-101.4	0	0	0	109.9	I98 T101 I124 F126 F142 Y235 V237	I98-F144 HydrophobicContact CG1-CZ 3.93Å; T101-F144 HydrophobicContact CG2-CD1 4.03Å; T101-F144 HydrophobicContact CG2-CE1 4.3Å; I124-F144 PolarHBondContact N-O 3.03Å; I124-F144 PolarHBondContact O-N 2.9Å; F126-F144 HydrophobicContact CD2-CB 4Å; F126-F144 HydrophobicContact CE2-CB 3.7Å; F142-F144 HydrophobicContact CD2-CB 4.28Å; F142-F144 HydrophobicContact CE2-CB 4.04Å; F142-F144 HydrophobicContact CE2-CD2 4.26Å; F144-Y235 AromaticContact CE1-CD1 3.54Å; F144-Y235 HydrophobicContact CE1-CD1 3.54Å; F144-Y235 HydrophobicContact CE1-CE1 4.24Å; F144-Y235 HydrophobicContact CE1-CG 4.15Å; F144-Y235 AromaticContact CZ-CD1 3.59Å; F144-Y235 HydrophobicContact CZ-CD1 3.59Å; F144-Y235 HydrophobicContact CZ-CE1 4.4Å; F144-Y235 AromaticContact CZ-CG 3.73Å; F144-Y235 HydrophobicContact CZ-CG 3.73Å; F144-V237 HydrophobicContact CD2-CG2 3.99Å; F144-V237 HydrophobicContact CE2-CG2 3.99Å
145	K	98.2	Very high	95.6	Very high	54 Å²	54	41 Å²	41	24%	0.235	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	130.2	177.4	-53.8	-173.1	-178	-175.3	0	110.3	V121 E122 Y147 Y235 C236 Q238	V121-K145 HydrophobicContact CG1-CB 4.03Å; E122-K145 CarbonylContact O-C 3.5Å; E122-K145 VanDerWaalsContact O-CA 3.24Å; E122-K145 WeakPolarHBondContact O-CA 3.42Å; K145-Y147 HydrophobicContact CB-CE2 4.25Å; K145-Y235 CarbonylContact O-C 3.54Å; K145-Y235 VanDerWaalsContact O-CA 3.24Å; K145-Y235 WeakPolarHBondContact O-CA 3.48Å; K145-C236 HydrophobicContact CB-CB 4.2Å; K145-C236 PolarHBondContact N-O 2.85Å; K145-C236 PolarHBondContact O-N 3.48Å; K145-Q238 VanDerWaalsContact CE-OE1 3.25Å
146	T	98.4	Very high	95.8	Very high	8 Å²	8	38 Å²	38	5%	0.049	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	120.8	175.4	-60.7	0	0	0	0	109.1	T101 V121 E122 P149 Y235	T101-T146 WeakPolarHBondContact CG2-OG1 3.43Å; T101-T146 PolarHBondContact OG1-OG1 3.43Å; V121-T146 CarbonylContact C-O 3.59Å; V121-T146 WeakPolarHBondContact CA-O 3.48Å; E122-T146 PolarHBondContact N-O 3.17Å; E122-T146 PolarHBondContact O-N 2.86Å; T146-P149 HydrophobicContact CG2-CB 3.95Å; T146-Y235 HydrophobicContact CG2-CD1 3.94Å; T146-Y235 HydrophobicContact CG2-CE1 3.76Å
147	Y	98.5	Very high	95.7	Very high	27 Å²	27	38.5 Å²	38.5	11%	0.106	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	138.8	180	-64.7	-104.9	0	0	0	109.5	V121 K145 F152 L234 C236	V121-Y147 HydrophobicContact CB-CD1 4.44Å; V121-Y147 HydrophobicContact CG1-CD1 4.09Å; V121-Y147 HydrophobicContact CG1-CD2 4.39Å; V121-Y147 HydrophobicContact CG1-CE1 4.06Å; V121-Y147 HydrophobicContact CG1-CE2 4.37Å; V121-Y147 HydrophobicContact CG1-CG 4.25Å; V121-Y147 HydrophobicContact CG2-CD1 3.49Å; V121-Y147 VanDerWaalsContact CG2-CD1 3.49Å; V121-Y147 HydrophobicContact CG2-CE1 3.78Å; V121-Y147 HydrophobicContact CG2-CG 4.2Å; K145-Y147 HydrophobicContact CB-CE2 4.25Å; Y147-F152 WeakPolarHBondContact O-CD2 3.44Å; Y147-F152 WeakPolarHBondContact O-CE2 3.4Å; Y147-L234 HydrophobicContact CD1-CD2 4.27Å; Y147-L234 HydrophobicContact CD2-CD2 4.31Å; Y147-L234 HydrophobicContact CD2-CG 3.86Å; Y147-L234 WeakPolarHBondContact CD2-O 3.35Å; Y147-L234 HydrophobicContact CG-CD2 3.88Å; Y147-L234 HydrophobicContact CG-CG 3.89Å; Y147-L234 PolarHBondContact N-O 2.77Å; Y147-C236 HydrophobicContact CE2-CB 3.87Å
148	A	98.1	Very high	95.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	43.2	51.2	176.5	0	0	0	0	0	115.7	D117 V120 V150 A151 F152 L213	D117-A148 VanDerWaalsContact O-CA 3.28Å; D117-A148 WeakPolarHBondContact O-CA 3.03Å; D117-A148 WeakPolarHBondContact O-CB 3.49Å; V120-A148 PolarHBondContact O-N 2.86Å; A148-V150 VanDerWaalsContact C-N 3.32Å; A148-V150 PolarHBondContact O-N 2.81Å; A148-A151 HydrophobicContact CB-CB 4.08Å; A148-A151 PolarHBondContact O-N 3.06Å; A148-F152 HydrophobicContact CB-CD2 4.11Å; A148-F152 HydrophobicContact CB-CE2 4.14Å; A148-F152 WeakPolarHBondContact O-CD2 3.33Å; A148-F152 PolarHBondContact O-N 3.04Å; A148-L213 HydrophobicContact CB-CD1 3.51Å
149	P	97.4	Very high	95.4	Very high	7 Å²	7	32.8 Å²	32.8	5%	0.045	16%	0.157	C	C	.	.	H	α-helix	trans	-55.3	-41.5	-169	19.1	-31.6	0	0	0	114	L105 V120 E122 T146 F152 R153	L105-P149 HydrophobicContact CD2-CB 4.05Å; L105-P149 WeakPolarHBondContact CD2-O 3.44Å; V120-P149 HydrophobicContact CG1-CG 4.29Å; E122-P149 HydrophobicContact CG-CG 4.11Å; T146-P149 HydrophobicContact CG2-CB 3.95Å; P149-F152 PolarHBondContact O-N 3.44Å; P149-R153 PolarHBondContact O-N 2.8Å
150	V	96.9	Very high	95.4	Very high	16 Å²	16	32.4 Å²	32.4	10%	0.097	17%	0.17	C	C	.	.	H	α-helix	trans	-68.3	-39.9	179.7	-177.2	0	0	0	0	111.6	V113 D117 A148 R153 Y154	V113-V150 HydrophobicContact CG2-CG1 4.47Å; D117-V150 HydrophobicContact CB-CB 4.24Å; A148-V150 VanDerWaalsContact C-N 3.32Å; A148-V150 PolarHBondContact O-N 2.81Å; V150-R153 WeakPolarHBondContact O-CB 3.37Å; V150-R153 PolarHBondContact O-N 2.85Å; V150-Y154 PolarHBondContact O-N 2.77Å
151	A	97.3	Very high	95.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.8	-41.1	176	0	0	0	0	0	111.8	V113 F118 A148 Y154 F155	V113-A151 HydrophobicContact CG1-CB 4.04Å; F118-A151 HydrophobicContact CD1-CB 3.67Å; F118-A151 HydrophobicContact CE1-CB 3.68Å; A148-A151 HydrophobicContact CB-CB 4.08Å; A148-A151 PolarHBondContact O-N 3.06Å; A151-Y154 PolarHBondContact O-N 3.03Å; A151-F155 HydrophobicContact CB-CE2 4.06Å; A151-F155 HydrophobicContact CB-CZ 4.33Å; A151-F155 WeakPolarHBondContact O-CD2 3.17Å; A151-F155 WeakPolarHBondContact O-CG 3.12Å; A151-F155 PolarHBondContact O-N 3.05Å
152	F	97.8	Very high	95.4	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.018	15%	0.15	C	C	.	.	H	α-helix	trans	-73.4	-22.2	175.5	-75.9	-69	0	0	0	114	Y147 A148 P149 F155 R156 L213 F231 L234	Y147-F152 WeakPolarHBondContact O-CD2 3.44Å; Y147-F152 WeakPolarHBondContact O-CE2 3.4Å; A148-F152 HydrophobicContact CB-CD2 4.11Å; A148-F152 HydrophobicContact CB-CE2 4.14Å; A148-F152 WeakPolarHBondContact O-CD2 3.33Å; A148-F152 PolarHBondContact O-N 3.04Å; P149-F152 PolarHBondContact O-N 3.44Å; F152-F155 AromaticContact CD1-CD2 3.77Å; F152-F155 HydrophobicContact CD1-CD2 3.77Å; F152-F155 HydrophobicContact CD1-CE2 4.44Å; F152-F155 HydrophobicContact CE1-CD2 4.11Å; F152-F155 HydrophobicContact CE1-CE2 4.48Å; F152-F155 HydrophobicContact CG-CD2 4.33Å; F152-R156 WeakPolarHBondContact O-CG 3.17Å; F152-R156 PolarHBondContact O-N 3.19Å; F152-R156 PolarHBondContact O-NE 2.88Å; F152-L213 HydrophobicContact CE1-CD2 4.47Å; F152-L213 HydrophobicContact CE2-CD1 3.95Å; F152-L213 HydrophobicContact CE2-CD2 4.49Å; F152-L213 HydrophobicContact CZ-CD1 4.18Å; F152-L213 HydrophobicContact CZ-CD2 3.88Å; F152-F231 HydrophobicContact CE1-CB 3.9Å; F152-L234 HydrophobicContact CE2-CB 3.75Å; F152-L234 HydrophobicContact CZ-CB 3.77Å
153	R	96.4	Very high	95.3	Very high	18 Å²	18	33.1 Å²	33.1	7%	0.068	16%	0.162	C	C	.	.	H	α-helix	trans	-62.2	-56.4	163	170.8	169.4	76	-178.2	4.4	110	L105 K108 P109 P149 V150 F155 R156 E157	L105-R153 HydrophobicContact CD2-CB 3.89Å; L105-R153 PolarHBondContact O-NH1 2.9Å; K108-R153 PolarHBondContact O-NH1 3.32Å; P109-R153 PolarHBondContact O-NH1 3.29Å; P109-R153 PolarHBondContact O-NH2 3.27Å; P149-R153 PolarHBondContact O-N 2.8Å; V150-R153 WeakPolarHBondContact O-CB 3.37Å; V150-R153 PolarHBondContact O-N 2.85Å; R153-F155 VanDerWaalsContact C-N 3.32Å; R153-F155 PolarHBondContact O-N 2.81Å; R153-R156 PolarHBondContact O-N 2.86Å; R153-E157 VanDerWaalsContact CD-OE1 3.27Å; R153-E157 WeakPolarHBondContact CD-OE1 3.46Å; R153-E157 HydrophobicContact CG-CG 4.46Å; R153-E157 WeakPolarHBondContact CG-OE1 3.43Å; R153-E157 IonicContact NE-OE1 2.64Å; R153-E157 WeakPolarHBondContact O-CG 3.37Å; R153-E157 PolarHBondContact O-N 2.76Å
154	Y	95.6	Very high	95.1	Very high	47 Å²	47	33 Å²	33	18%	0.184	17%	0.169	C	C	.	.	H	α-helix	trans	-55.7	-40.7	177.8	175.5	-90.9	0	0	0	113.8	V113 V150 A151 R156 E157 L158 Y217 N221	V113-Y154 VanDerWaalsContact CG2-CB 3.42Å; V113-Y154 HydrophobicContact CG2-CD1 4.22Å; V113-Y154 HydrophobicContact CG2-CD2 4.11Å; V113-Y154 HydrophobicContact CG2-CG 3.66Å; V150-Y154 PolarHBondContact O-N 2.77Å; A151-Y154 PolarHBondContact O-N 3.03Å; Y154-R156 PolarHBondContact O-N 3.21Å; Y154-E157 WeakPolarHBondContact CA-OE2 3.29Å; Y154-E157 PolarHBondContact O-N 3.21Å; Y154-L158 WeakPolarHBondContact O-CB 3.44Å; Y154-L158 PolarHBondContact O-N 3.27Å; Y154-Y217 AromaticContact CD1-CD2 3.81Å; Y154-Y217 HydrophobicContact CD1-CD2 3.81Å; Y154-Y217 AromaticContact CD1-CE2 3.67Å; Y154-Y217 HydrophobicContact CD1-CE2 3.67Å; Y154-Y217 AromaticContact CE1-CD2 3.51Å; Y154-Y217 HydrophobicContact CE1-CD2 3.51Å; Y154-Y217 AromaticContact CE1-CE2 3.22Å; Y154-Y217 HydrophobicContact CE1-CE2 3.22Å; Y154-Y217 HydrophobicContact CE2-CE2 4.28Å; Y154-Y217 HydrophobicContact CG-CE2 4.37Å; Y154-Y217 AromaticContact CZ-CE2 3.56Å; Y154-N221 PolarHBondContact OH-ND2 3.43Å; Y154-N221 PolarHBondContact OH-OD1 2.89Å
155	F	95.3	Very high	94.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.2	-37.5	176.7	-60.4	-37	0	0	0	112.7	F118 A151 F152 R153 F159 L213 Y216 Y217 L220	F118-F155 HydrophobicContact CE1-CZ 4.15Å; A151-F155 HydrophobicContact CB-CE2 4.06Å; A151-F155 HydrophobicContact CB-CZ 4.33Å; A151-F155 WeakPolarHBondContact O-CD2 3.17Å; A151-F155 WeakPolarHBondContact O-CG 3.12Å; A151-F155 PolarHBondContact O-N 3.05Å; F152-F155 AromaticContact CD1-CD2 3.77Å; F152-F155 HydrophobicContact CD1-CD2 3.77Å; F152-F155 HydrophobicContact CD1-CE2 4.44Å; F152-F155 HydrophobicContact CE1-CD2 4.11Å; F152-F155 HydrophobicContact CE1-CE2 4.48Å; F152-F155 HydrophobicContact CG-CD2 4.33Å; R153-F155 VanDerWaalsContact C-N 3.32Å; R153-F155 PolarHBondContact O-N 2.81Å; F155-F159 WeakPolarHBondContact O-CD2 3.17Å; F155-F159 WeakPolarHBondContact O-CG 3.29Å; F155-F159 PolarHBondContact O-N 3.22Å; F155-L213 HydrophobicContact CE2-CD2 4.23Å; F155-Y216 HydrophobicContact CD1-CD1 4.43Å; F155-Y216 HydrophobicContact CD1-CE1 4.34Å; F155-Y216 HydrophobicContact CD2-CD1 4.42Å; F155-Y216 HydrophobicContact CD2-CE1 4.27Å; F155-Y216 HydrophobicContact CE1-CD1 4.02Å; F155-Y216 HydrophobicContact CE1-CE1 4.39Å; F155-Y216 HydrophobicContact CE2-CD1 4.03Å; F155-Y216 HydrophobicContact CE2-CE1 4.33Å; F155-Y216 HydrophobicContact CG-CE1 4.3Å; F155-Y216 AromaticContact CZ-CD1 3.81Å; F155-Y216 HydrophobicContact CZ-CD1 3.81Å; F155-Y216 HydrophobicContact CZ-CE1 4.39Å; F155-Y217 AromaticContact CE1-CD2 4Å; F155-Y217 HydrophobicContact CE1-CD2 4Å; F155-Y217 HydrophobicContact CE1-CG 4.46Å; F155-L220 HydrophobicContact CD1-CD1 3.67Å; F155-L220 HydrophobicContact CE1-CD1 4.09Å; F155-L220 HydrophobicContact CG-CD1 4.41Å
156	R	95	Very high	94.8	Very high	12 Å²	12	33.3 Å²	33.3	5%	0.045	17%	0.173	C	C	.	.	H	α-helix	trans	-66.5	-44.9	175	-76.5	173.3	-69.3	156.9	3.3	111.3	V102 F152 R153 Y154 L158 F159 G160 I161 Y166 F232	V102-R156 VanDerWaalsContact CG1-NH1 3.34Å; F152-R156 WeakPolarHBondContact O-CG 3.17Å; F152-R156 PolarHBondContact O-N 3.19Å; F152-R156 PolarHBondContact O-NE 2.88Å; R153-R156 PolarHBondContact O-N 2.86Å; Y154-R156 PolarHBondContact O-N 3.21Å; R156-L158 PolarHBondContact O-N 2.75Å; R156-F159 CarbonylContact O-C 3.6Å; R156-F159 PolarHBondContact O-N 3.44Å; R156-F159 VanDerWaalsContact O-N 3.13Å; R156-G160 PolarHBondContact O-N 3.43Å; R156-G160 VanDerWaalsContact O-N 3.13Å; R156-I161 HydrophobicContact CB-CB 4.08Å; R156-I161 HydrophobicContact CB-CG2 4.3Å; R156-I161 HydrophobicContact CG-CB 4.44Å; R156-I161 HydrophobicContact CG-CG2 4.33Å; R156-I161 PolarHBondContact O-N 2.83Å; R156-Y166 VanDerWaalsContact NH1-CD1 3.33Å; R156-F232 HydrophobicContact CG-CB 3.83Å; R156-F232 HydrophobicContact CG-CD1 4.06Å; R156-F232 HydrophobicContact CG-CG 4.29Å; R156-F232 PolarHBondContact NE-O 3.29Å
157	E	91.9	Very high	94.6	Very high	80 Å²	80	34.5 Å²	34.5	37%	0.374	18%	0.179	S	C	.	.	H	α-helix	trans	-57.3	-47.2	175	-69.9	158.9	-179.5	0	0	111.7	R153 Y154 F159 G160	R153-E157 VanDerWaalsContact CD-OE1 3.27Å; R153-E157 WeakPolarHBondContact CD-OE1 3.46Å; R153-E157 HydrophobicContact CG-CG 4.46Å; R153-E157 WeakPolarHBondContact CG-OE1 3.43Å; R153-E157 IonicContact NE-OE1 2.64Å; R153-E157 WeakPolarHBondContact O-CG 3.37Å; R153-E157 PolarHBondContact O-N 2.76Å; Y154-E157 WeakPolarHBondContact CA-OE2 3.29Å; Y154-E157 PolarHBondContact O-N 3.21Å; E157-F159 PolarHBondContact O-N 3.21Å; E157-G160 PolarHBondContact O-N 2.88Å
158	L	90.4	Very high	94.4	Very high	70 Å²	70	39.4 Å²	39.4	37%	0.366	20%	0.198	S	C	.	.	H	α-helix	trans	-63	-28.4	177.5	-164.1	82.5	0	0	0	113.2	Y154 R156 L220	Y154-L158 WeakPolarHBondContact O-CB 3.44Å; Y154-L158 PolarHBondContact O-N 3.27Å; R156-L158 PolarHBondContact O-N 2.75Å; L158-L220 HydrophobicContact CD2-CB 3.58Å; L158-L220 HydrophobicContact CD2-CD1 3.9Å; L158-L220 HydrophobicContact CD2-CG 4.33Å
159	F	89.4	Confident	94.2	Very high	29 Å²	29	39.7 Å²	39.7	13%	0.127	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	10.4	174.6	-65.2	-50.8	0	0	0	113.5	F155 R156 E157 I161 L220 K230 F232 Y366	F155-F159 WeakPolarHBondContact O-CD2 3.17Å; F155-F159 WeakPolarHBondContact O-CG 3.29Å; F155-F159 PolarHBondContact O-N 3.22Å; R156-F159 CarbonylContact O-C 3.6Å; R156-F159 PolarHBondContact O-N 3.44Å; R156-F159 VanDerWaalsContact O-N 3.13Å; E157-F159 PolarHBondContact O-N 3.21Å; F159-I161 VanDerWaalsContact C-N 3.28Å; F159-I161 HydrophobicContact CB-CD1 4.13Å; F159-I161 PolarHBondContact O-N 2.98Å; F159-L220 HydrophobicContact CE1-CD2 4.12Å; F159-L220 HydrophobicContact CE2-CD1 3.97Å; F159-L220 HydrophobicContact CZ-CD1 3.71Å; F159-L220 HydrophobicContact CZ-CD2 3.58Å; F159-L220 HydrophobicContact CZ-CG 4.3Å; F159-K230 HydrophobicContact CD1-CD 3.86Å; F159-K230 HydrophobicContact CD1-CG 4.25Å; F159-K230 HydrophobicContact CD2-CB 3.98Å; F159-K230 HydrophobicContact CD2-CG 4.46Å; F159-K230 HydrophobicContact CE1-CB 4.35Å; F159-K230 HydrophobicContact CE1-CD 3.92Å; F159-K230 HydrophobicContact CE1-CG 3.85Å; F159-K230 HydrophobicContact CE2-CB 3.66Å; F159-K230 HydrophobicContact CE2-CG 4.08Å; F159-K230 HydrophobicContact CG-CB 4.45Å; F159-K230 HydrophobicContact CG-CD 4.18Å; F159-K230 HydrophobicContact CZ-CB 3.85Å; F159-K230 HydrophobicContact CZ-CD 4.28Å; F159-K230 HydrophobicContact CZ-CG 3.74Å; F159-F232 HydrophobicContact CB-CE1 4.11Å; F159-F232 HydrophobicContact CD2-CD1 4.09Å; F159-F232 AromaticContact CD2-CE1 3.54Å; F159-F232 HydrophobicContact CD2-CE1 3.54Å; F159-F232 HydrophobicContact CE2-CE1 4.27Å; F159-F232 HydrophobicContact CG-CE1 4.12Å; F159-Y366 WeakPolarHBondContact O-CE1 3.37Å
160	G	90.1	Very high	94	Very high	54 Å²	54	39.4 Å²	39.4	56%	0.557	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.5	6.2	176.3	0	0	0	0	0	115.5	R156 E157 R162	R156-G160 PolarHBondContact O-N 3.43Å; R156-G160 VanDerWaalsContact O-N 3.13Å; E157-G160 PolarHBondContact O-N 2.88Å; G160-R162 PolarHBondContact O-N 3.49Å
161	I	91.7	Very high	93.9	Very high	3 Å²	3	40 Å²	40	2%	0.015	20%	0.203	C	C	.	.			trans	-84.8	111.5	-175.7	-64.8	157.4	0	0	0	109.5	R156 F159 Y166 F196 F232 Y366	R156-I161 HydrophobicContact CB-CB 4.08Å; R156-I161 HydrophobicContact CB-CG2 4.3Å; R156-I161 HydrophobicContact CG-CB 4.44Å; R156-I161 HydrophobicContact CG-CG2 4.33Å; R156-I161 PolarHBondContact O-N 2.83Å; F159-I161 VanDerWaalsContact C-N 3.28Å; F159-I161 HydrophobicContact CB-CD1 4.13Å; F159-I161 PolarHBondContact O-N 2.98Å; I161-Y166 HydrophobicContact CG2-CD2 4.02Å; I161-Y166 HydrophobicContact CG2-CG 4.3Å; I161-F196 HydrophobicContact CD1-CE1 3.95Å; I161-F196 HydrophobicContact CD1-CZ 4.38Å; I161-F196 HydrophobicContact CG2-CZ 4.22Å; I161-F232 HydrophobicContact CD1-CD1 3.56Å; I161-F232 HydrophobicContact CD1-CD2 4.25Å; I161-F232 HydrophobicContact CD1-CE1 3.14Å; I161-F232 HydrophobicContact CD1-CE2 3.88Å; I161-F232 HydrophobicContact CD1-CG 4.1Å; I161-F232 HydrophobicContact CD1-CZ 3.31Å; I161-Y366 HydrophobicContact CD1-CD1 4.07Å; I161-Y366 HydrophobicContact CD1-CE1 4.13Å; I161-Y366 HydrophobicContact CD1-CG 4.42Å; I161-Y366 HydrophobicContact CG1-CD1 3.8Å; I161-Y366 HydrophobicContact CG1-CE1 3.34Å; I161-Y366 HydrophobicContact CG1-CE2 4.17Å; I161-Y366 HydrophobicContact CG1-CG 4.4Å
162	R	93.3	Very high	93.4	Very high	126 Å²	126	45.3 Å²	45.3	48%	0.475	23%	0.231	S	C	.	.			trans	-71.5	149.9	174.6	-67.4	169.9	49.4	-119.8	-3.7	111.3	G160 D164 D165 Y166	G160-R162 PolarHBondContact O-N 3.49Å; R162-D164 VanDerWaalsContact C-N 3.3Å; R162-D164 IonicContact CZ-OD2 2.72Å; R162-D164 IonicContact NE-OD2 3.17Å; R162-D164 IonicContact NH2-OD2 2.9Å; R162-D164 PolarHBondContact NH2-OD2 2.69Å; R162-D164 PolarHBondContact O-N 2.74Å; R162-D165 HydrophobicContact CB-CB 4.47Å; R162-D165 WeakPolarHBondContact CB-OD2 3.45Å; R162-D165 IonicContact CZ-OD1 3.4Å; R162-D165 IonicContact CZ-OD2 2.73Å; R162-D165 IonicContact NE-OD2 3.76Å; R162-D165 IonicContact NH1-OD1 3.92Å; R162-D165 PolarHBondContact NH1-OD1 3.44Å; R162-D165 IonicContact NH1-OD2 3.35Å; R162-D165 PolarHBondContact NH1-OD2 2.89Å; R162-D165 PolarHBondContact O-N 3.45Å; R162-Y166 WeakPolarHBondContact O-CB 3.49Å; R162-Y166 PolarHBondContact O-N 2.95Å; R162-Y166 VanDerWaalsContact O-N 3.09Å
163	P	94.2	Very high	93	Very high	43 Å²	43	47.2 Å²	47.2	28%	0.279	24%	0.24	S	C	.	.	H	α-helix	trans	-58.3	-39.6	176.5	-24.8	34.7	0	0	0	113.4	V102 L167	V102-P163 HydrophobicContact CG1-CB 4.37Å; P163-L167 WeakPolarHBondContact O-CB 3.45Å; P163-L167 VanDerWaalsContact O-CG 3.28Å; P163-L167 WeakPolarHBondContact O-CG 3.27Å; P163-L167 PolarHBondContact O-N 2.73Å
164	D	94.3	Very high	92.7	Very high	95 Å²	95	50.5 Å²	50.5	51%	0.508	26%	0.264	S	S	.	.	H	α-helix	trans	-62.7	-45.7	-179.5	-48.6	-57.4	0	0	0	111.7	R162 L167 Y168	R162-D164 VanDerWaalsContact C-N 3.3Å; R162-D164 IonicContact CZ-OD2 2.72Å; R162-D164 IonicContact NE-OD2 3.17Å; R162-D164 IonicContact NH2-OD2 2.9Å; R162-D164 PolarHBondContact NH2-OD2 2.69Å; R162-D164 PolarHBondContact O-N 2.74Å; D164-L167 PolarHBondContact O-N 3.43Å; D164-Y168 WeakPolarHBondContact O-CB 3.38Å; D164-Y168 PolarHBondContact O-N 2.96Å
165	D	93.1	Very high	92.6	Very high	60 Å²	60	48.5 Å²	48.5	32%	0.321	26%	0.257	S	S	.	.	H	α-helix	trans	-70.3	-45.1	-176.3	-54.6	-25	0	0	0	109.5	R162 L167 Y168 S169	R162-D165 HydrophobicContact CB-CB 4.47Å; R162-D165 WeakPolarHBondContact CB-OD2 3.45Å; R162-D165 IonicContact CZ-OD1 3.4Å; R162-D165 IonicContact CZ-OD2 2.73Å; R162-D165 IonicContact NE-OD2 3.76Å; R162-D165 IonicContact NH1-OD1 3.92Å; R162-D165 PolarHBondContact NH1-OD1 3.44Å; R162-D165 IonicContact NH1-OD2 3.35Å; R162-D165 PolarHBondContact NH1-OD2 2.89Å; R162-D165 PolarHBondContact O-N 3.45Å; D165-L167 VanDerWaalsContact C-N 3.31Å; D165-L167 PolarHBondContact O-N 3.38Å; D165-Y168 PolarHBondContact O-N 2.69Å; D165-Y168 VanDerWaalsContact O-N 3.13Å; D165-S169 PolarHBondContact O-N 2.96Å; D165-S169 PolarHBondContact O-OG 3.43Å; D165-S169 VanDerWaalsContact O-OG 3.1Å
166	Y	95.3	Very high	92.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-56.1	-42	172.6	-173.4	-103.6	0	0	0	112.8	I98 V102 R156 I161 R162 L170 F196 F232 Y235 V248	I98-Y166 HydrophobicContact CG2-CD1 4.49Å; I98-Y166 HydrophobicContact CG2-CE1 3.91Å; V102-Y166 HydrophobicContact CG1-CD1 4.45Å; V102-Y166 HydrophobicContact CG2-CD1 4.28Å; V102-Y166 HydrophobicContact CG2-CE1 4.02Å; R156-Y166 VanDerWaalsContact NH1-CD1 3.33Å; I161-Y166 HydrophobicContact CG2-CD2 4.02Å; I161-Y166 HydrophobicContact CG2-CG 4.3Å; R162-Y166 WeakPolarHBondContact O-CB 3.49Å; R162-Y166 PolarHBondContact O-N 2.95Å; R162-Y166 VanDerWaalsContact O-N 3.09Å; Y166-L170 HydrophobicContact CD1-CD1 3.85Å; Y166-L170 HydrophobicContact CD2-CD1 3.73Å; Y166-L170 HydrophobicContact CE1-CD1 3.53Å; Y166-L170 HydrophobicContact CE2-CD1 3.39Å; Y166-L170 HydrophobicContact CG-CD1 3.96Å; Y166-L170 WeakPolarHBondContact O-CB 3.47Å; Y166-L170 WeakPolarHBondContact O-CD1 3.4Å; Y166-L170 WeakPolarHBondContact O-CG 3.14Å; Y166-L170 PolarHBondContact O-N 3.43Å; Y166-F196 HydrophobicContact CD2-CE1 4.08Å; Y166-F196 HydrophobicContact CD2-CZ 4.09Å; Y166-F196 HydrophobicContact CE2-CE1 4.4Å; Y166-F232 HydrophobicContact CE2-CB 3.6Å; Y166-F232 HydrophobicContact CE2-CG 4.4Å; Y166-F232 PolarHBondContact OH-O 2.99Å; Y166-Y235 PolarHBondContact OH-OH 2.96Å; Y166-Y235 VanDerWaalsContact OH-OH 3.05Å; Y166-V248 HydrophobicContact CE2-CG1 4.01Å
167	L	95.4	Very high	91.9	Very high	33 Å²	33	53.2 Å²	53.2	17%	0.173	28%	0.281	C	S	.	.	H	α-helix	trans	-67.7	-42.3	175.7	-80.2	173.1	0	0	0	111.9	V102 P163 D164 D165 C171	V102-L167 HydrophobicContact CB-CD2 3.95Å; V102-L167 HydrophobicContact CB-CG 4.27Å; V102-L167 HydrophobicContact CG1-CD1 4.09Å; V102-L167 HydrophobicContact CG1-CD2 4.19Å; V102-L167 HydrophobicContact CG1-CG 3.95Å; P163-L167 WeakPolarHBondContact O-CB 3.45Å; P163-L167 VanDerWaalsContact O-CG 3.28Å; P163-L167 WeakPolarHBondContact O-CG 3.27Å; P163-L167 PolarHBondContact O-N 2.73Å; D164-L167 PolarHBondContact O-N 3.43Å; D165-L167 VanDerWaalsContact C-N 3.31Å; D165-L167 PolarHBondContact O-N 3.38Å; L167-C171 WeakPolarHBondContact O-CA 3.31Å; L167-C171 WeakPolarHBondContact O-CB 3.3Å; L167-C171 PolarHBondContact O-N 3.04Å
168	Y	93.8	Very high	91.3	Very high	130 Å²	130	49.7 Å²	49.7	51%	0.51	26%	0.264	S	S	.	.	I	π-helix	trans	-60.7	-52.9	178.4	-171.4	-83.1	0	0	0	111.3	D164 D165 L170 N172 E173	D164-Y168 WeakPolarHBondContact O-CB 3.38Å; D164-Y168 PolarHBondContact O-N 2.96Å; D165-Y168 PolarHBondContact O-N 2.69Å; D165-Y168 VanDerWaalsContact O-N 3.13Å; Y168-L170 PolarHBondContact O-N 2.98Å; Y168-N172 HydrophobicContact CD2-CB 4.39Å; Y168-N172 WeakPolarHBondContact CD2-ND2 3.47Å; Y168-N172 WeakPolarHBondContact O-CB 3.33Å; Y168-N172 PolarHBondContact O-N 3.12Å; Y168-E173 HydrophobicContact CE1-CG 4.29Å
169	S	93	Very high	89.7	Confident	6 Å²	6	49.5 Å²	49.5	4%	0.042	27%	0.269	C	S	.	.	I	π-helix	trans	-59.3	-40.6	-178.7	-60.9	0	0	0	0	113.9	D165 T191 D193	D165-S169 PolarHBondContact O-N 2.96Å; D165-S169 PolarHBondContact O-OG 3.43Å; D165-S169 VanDerWaalsContact O-OG 3.1Å; S169-T191 WeakPolarHBondContact O-CB 3.35Å; S169-T191 WeakPolarHBondContact O-CG2 3.5Å; S169-D193 WeakPolarHBondContact CA-OD2 3.37Å; S169-D193 WeakPolarHBondContact CB-OD2 3.42Å; S169-D193 PolarHBondContact OG-OD2 2.81Å
170	L	94.1	Very high	88.1	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.01	28%	0.278	C	S	.	.	I	π-helix	trans	-91.6	-38.1	-174.3	-71.8	164.1	0	0	0	113.9	Q95 I98 Y166 Y168 T191 F196 I198 V248	Q95-L170 WeakPolarHBondContact CG-O 3.31Å; Q95-L170 PolarHBondContact NE2-O 2.95Å; I98-L170 HydrophobicContact CD1-CD1 4.43Å; I98-L170 HydrophobicContact CG2-CD1 4.38Å; Y166-L170 HydrophobicContact CD1-CD1 3.85Å; Y166-L170 HydrophobicContact CD2-CD1 3.73Å; Y166-L170 HydrophobicContact CE1-CD1 3.53Å; Y166-L170 HydrophobicContact CE2-CD1 3.39Å; Y166-L170 HydrophobicContact CG-CD1 3.96Å; Y166-L170 WeakPolarHBondContact O-CB 3.47Å; Y166-L170 WeakPolarHBondContact O-CD1 3.4Å; Y166-L170 WeakPolarHBondContact O-CG 3.14Å; Y166-L170 PolarHBondContact O-N 3.43Å; Y168-L170 PolarHBondContact O-N 2.98Å; L170-T191 HydrophobicContact CD2-CG2 3.53Å; L170-T191 HydrophobicContact CG-CG2 4.06Å; L170-F196 HydrophobicContact CD2-CB 4.33Å; L170-I198 HydrophobicContact CD2-CD1 3.73Å; L170-I198 HydrophobicContact CD2-CG1 4.11Å; L170-V248 HydrophobicContact CD1-CG1 4.14Å; L170-V248 HydrophobicContact CD2-CG1 4.25Å
171	C	93.5	Very high	86.2	Confident	29 Å²	29	50.5 Å²	50.5	20%	0.196	27%	0.265	C	S	.	.	I	π-helix	trans	-105.4	-29.9	-166.9	-59.7	0	0	0	0	114	Q95 G99 L167	Q95-C171 PolarHBondContact O-SG 3.07Å; G99-C171 PolarHBondContact N-SG 3.15Å; L167-C171 WeakPolarHBondContact O-CA 3.31Å; L167-C171 WeakPolarHBondContact O-CB 3.3Å; L167-C171 PolarHBondContact O-N 3.04Å
172	N	88.1	Confident	84.3	Confident	110 Å²	110	50.9 Å²	50.9	59%	0.588	27%	0.27	S	S	*	.	I	π-helix	trans	-91.6	-19.4	-174.2	-64	-12.7	0	0	0	113.7	Y168	Y168-N172 HydrophobicContact CD2-CB 4.39Å; Y168-N172 WeakPolarHBondContact CD2-ND2 3.47Å; Y168-N172 WeakPolarHBondContact O-CB 3.33Å; Y168-N172 PolarHBondContact O-N 3.12Å
173	E	89.9	Confident	82.2	Confident	44 Å²	44	47.3 Å²	47.3	21%	0.206	27%	0.268	C	S	.	.	S	Bend	trans	-117.1	148.7	-177.1	-69.9	-78.7	-152.5	0	0	111.4	Q95 Y168 L175 K192	Q95-E173 PolarHBondContact NE2-O 3.11Å; Y168-E173 HydrophobicContact CE1-CG 4.29Å; E173-L175 PolarHBondContact O-N 2.83Å; E173-K192 HydrophobicContact CB-CB 3.92Å; E173-K192 HydrophobicContact CB-CD 3.96Å; E173-K192 HydrophobicContact CG-CB 4.48Å; E173-K192 HydrophobicContact CG-CD 3.89Å; E173-K192 WeakPolarHBondContact OE1-CD 3.48Å; E173-K192 IonicContact OE1-NZ 3.97Å; E173-K192 PolarHBondContact OE1-NZ 2.93Å; E173-K192 WeakPolarHBondContact OE2-CD 3.43Å; E173-K192 WeakPolarHBondContact OE2-CE 3.4Å; E173-K192 IonicContact OE2-NZ 2.71Å; E173-K192 PolarHBondContact OE2-NZ 3.49Å
174	P	89.7	Confident	80.3	Confident	87 Å²	87	46.7 Å²	46.7	57%	0.565	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-74.3	123	-171	28.4	-34.2	0	0	0	112.4	I176	P174-I176 PolarHBondContact O-N 3.29Å
175	L	92.4	Very high	79.1	Confident	6 Å²	6	42.4 Å²	42.4	3%	0.031	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-61.9	121.5	178.5	-66.8	175.3	0	0	0	112.2	K91 I94 Q95 E173 E177 T191 I198	K91-L175 HydrophobicContact CB-CD1 4.34Å; K91-L175 HydrophobicContact CD-CB 4.17Å; K91-L175 VanDerWaalsContact CE-O 3.28Å; K91-L175 WeakPolarHBondContact CE-O 3.48Å; K91-L175 HydrophobicContact CG-CB 4.11Å; K91-L175 HydrophobicContact CG-CD1 4.35Å; K91-L175 PolarHBondContact NZ-O 2.89Å; I94-L175 HydrophobicContact CG2-CD1 4.32Å; Q95-L175 HydrophobicContact CG-CD1 3.73Å; Q95-L175 HydrophobicContact CG-CG 4.15Å; E173-L175 PolarHBondContact O-N 2.83Å; L175-E177 PolarHBondContact O-N 3.26Å; L175-T191 HydrophobicContact CD2-CG2 4.06Å; L175-I198 HydrophobicContact CD1-CD1 3.85Å; L175-I198 HydrophobicContact CD2-CD1 3.9Å
176	I	89.6	Confident	78.5	Confident	66 Å²	66	39.8 Å²	39.8	34%	0.338	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	121.4	178.7	-56.3	174.6	0	0	0	108	P174 L178 Y189 L190	P174-I176 PolarHBondContact O-N 3.29Å; I176-L178 HydrophobicContact CG2-CD2 4.23Å; I176-Y189 VanDerWaalsContact O-CA 3.3Å; I176-Y189 WeakPolarHBondContact O-CA 2.96Å; I176-L190 HydrophobicContact CB-CB 4.37Å; I176-L190 HydrophobicContact CD1-CD2 4.34Å; I176-L190 PolarHBondContact N-O 3.48Å; I176-L190 PolarHBondContact O-N 3.06Å
177	E	86.7	Confident	78	Confident	45 Å²	45	39.9 Å²	39.9	21%	0.21	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	135.8	176.1	-176.9	179.6	160	0	0	111.4	R72 T80 S87 L175 V187 Y189	R72-E177 IonicContact CZ-OE1 2.67Å; R72-E177 IonicContact NH1-OE1 2.68Å; R72-E177 PolarHBondContact NH1-OE1 2.71Å; T80-E177 PolarHBondContact OG1-OE1 2.97Å; T80-E177 PolarHBondContact OG1-OE2 3.11Å; S87-E177 VanDerWaalsContact CB-OE2 3.23Å; S87-E177 WeakPolarHBondContact CB-OE2 3.46Å; S87-E177 PolarHBondContact OG-OE2 2.9Å; L175-E177 PolarHBondContact O-N 3.26Å; E177-V187 HydrophobicContact CG-CG1 4.37Å; E177-Y189 HydrophobicContact CB-CD1 3.98Å; E177-Y189 HydrophobicContact CB-CE1 3.86Å; E177-Y189 HydrophobicContact CG-CD1 4.23Å; E177-Y189 HydrophobicContact CG-CE1 3.81Å
178	L	79	Confident	77.7	Confident	6 Å²	6	39.3 Å²	39.3	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	108.5	-177.4	-59.8	-165.2	0	0	0	109.2	R72 I176 N180 F188 L190 Y694	R72-L178 PolarHBondContact NH2-O 3.44Å; I176-L178 HydrophobicContact CG2-CD2 4.23Å; L178-N180 PolarHBondContact O-N 2.82Å; L178-F188 HydrophobicContact CB-CB 3.79Å; L178-F188 VanDerWaalsContact CB-O 3.24Å; L178-F188 WeakPolarHBondContact CB-O 3.33Å; L178-F188 HydrophobicContact CD1-CB 3.55Å; L178-F188 HydrophobicContact CG-CB 4.01Å; L178-F188 WeakPolarHBondContact CG-O 3.31Å; L178-F188 PolarHBondContact N-O 3.28Å; L178-L190 HydrophobicContact CD1-CB 4.11Å; L178-L190 HydrophobicContact CD2-CB 4.07Å; L178-L190 HydrophobicContact CG-CB 4.36Å; L178-Y694 WeakPolarHBondContact CA-OH 3.3Å; L178-Y694 HydrophobicContact CB-CD1 3.69Å; L178-Y694 HydrophobicContact CB-CD2 4.19Å; L178-Y694 HydrophobicContact CB-CE1 3.32Å; L178-Y694 HydrophobicContact CB-CE2 3.84Å; L178-Y694 HydrophobicContact CB-CG 4.11Å; L178-Y694 HydrophobicContact CD1-CD1 3.3Å; L178-Y694 HydrophobicContact CD1-CE1 3.32Å; L178-Y694 HydrophobicContact CD1-CG 4.28Å; L178-Y694 HydrophobicContact CD2-CD1 4.44Å; L178-Y694 HydrophobicContact CD2-CE1 3.6Å; L178-Y694 HydrophobicContact CG-CD1 3.94Å; L178-Y694 HydrophobicContact CG-CE1 3.52Å
179	S	57.3	Low	77.5	Confident	66 Å²	66	33.1 Å²	33.1	46%	0.462	20%	0.201	S	C	.	.			trans	-79.8	-11.4	-159.5	54.5	0	0	0	0	116.5	Y694	S179-Y694 PolarHBondContact N-OH 3.41Å
180	N	55.2	Low	77.4	Confident	58 Å²	58	33 Å²	33	31%	0.31	20%	0.2	S	C	.	.	S	Bend	trans	-96	115.2	172.7	-52.5	-64.9	0	0	0	107.9	L178 G182 Y694	L178-N180 PolarHBondContact O-N 2.82Å; N180-G182 PolarHBondContact O-N 3.15Å; N180-Y694 HydrophobicContact CB-CD2 3.82Å; N180-Y694 HydrophobicContact CB-CE2 3.59Å; N180-Y694 WeakPolarHBondContact ND2-CE2 3.5Å; N180-Y694 WeakPolarHBondContact O-CD2 3.36Å
181	P	50.7	Low	77.4	Confident	45 Å²	45	33 Å²	33	29%	0.292	20%	0.2	S	C	.	.			trans	-62.8	129.1	160.5	27.6	-31.6	0	0	0	108.3
182	G	51.4	Low	77.2	Confident	12 Å²	12	37.2 Å²	37.2	12%	0.124	22%	0.215	C	C	.	.			trans	-61.8	163.7	158.1	0	0	0	0	0	109.4	N180 S184 G185	N180-G182 PolarHBondContact O-N 3.15Å; G182-S184 PolarHBondContact O-N 2.95Å; G182-G185 PolarHBondContact O-N 2.77Å
183	A	49.7	Very low	77.1	Confident	51 Å²	51	33.9 Å²	33.9	42%	0.421	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-23.6	-175.2	0	0	0	0	0	114.2	G185 V690	A183-G185 PolarHBondContact O-N 3.44Å; A183-V690 WeakPolarHBondContact CB-O 3.16Å
184	S	55.3	Low	76.9	Confident	29 Å²	29	32.4 Å²	32.4	20%	0.203	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-6.7	170.2	154.2	0	0	0	0	115.4	G182 S186	G182-S184 PolarHBondContact O-N 2.95Å; S184-S186 PolarHBondContact O-N 3.44Å; S184-S186 PolarHBondContact OG-OG 2.6Å
185	G	69.2	Low	76.7	Confident	5 Å²	5	30.3 Å²	30.3	5%	0.052	17%	0.173	C	C	.	.			trans	72.3	5.7	-178.5	0	0	0	0	0	115.3	G182 A183	G182-G185 PolarHBondContact O-N 2.77Å; A183-G185 PolarHBondContact O-N 3.44Å
186	S	79.2	Confident	76.7	Confident	5 Å²	5	30.1 Å²	30.1	4%	0.035	17%	0.172	C	C	.	.			trans	-68.3	142	-179.7	31.9	0	0	0	0	112.2	S184 T200	S184-S186 PolarHBondContact O-N 3.44Å; S184-S186 PolarHBondContact OG-OG 2.6Å; S186-T200 WeakPolarHBondContact CA-OG1 3.46Å; S186-T200 WeakPolarHBondContact CB-O 3.01Å
187	V	84.4	Confident	76.8	Confident	2 Å²	2	28.3 Å²	28.3	1%	0.012	16%	0.163	C	C	.	.			trans	-89.6	139.4	166.5	-174.8	0	0	0	0	107.7	Y82 E177 Y189 T200	Y82-V187 HydrophobicContact CD1-CG2 4.48Å; Y82-V187 HydrophobicContact CD2-CG2 3.54Å; Y82-V187 HydrophobicContact CE2-CG2 3.96Å; Y82-V187 HydrophobicContact CG-CG2 3.83Å; E177-V187 HydrophobicContact CG-CG1 4.37Å; V187-Y189 HydrophobicContact CG1-CD2 4.48Å; V187-Y189 HydrophobicContact CG1-CE1 4.02Å; V187-Y189 HydrophobicContact CG1-CE2 3.89Å; V187-T200 HydrophobicContact CB-CG2 3.86Å; V187-T200 PolarHBondContact N-OG1 3.28Å; V187-T200 PolarHBondContact O-N 2.9Å; V187-T200 PolarHBondContact O-OG1 3.4Å
188	F	88.8	Confident	77.2	Confident	21 Å²	21	26.2 Å²	26.2	9%	0.092	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	145.5	169.2	-65.3	-107.1	0	0	0	108.5	L178 I197 I198 K199	L178-F188 HydrophobicContact CB-CB 3.79Å; L178-F188 VanDerWaalsContact CB-O 3.24Å; L178-F188 WeakPolarHBondContact CB-O 3.33Å; L178-F188 HydrophobicContact CD1-CB 3.55Å; L178-F188 HydrophobicContact CG-CB 4.01Å; L178-F188 WeakPolarHBondContact CG-O 3.31Å; L178-F188 PolarHBondContact N-O 3.28Å; F188-I197 HydrophobicContact CD1-CG2 3.85Å; F188-I198 CarbonylContact C-O 3.52Å; F188-I198 VanDerWaalsContact CA-O 3.29Å; F188-I198 WeakPolarHBondContact CA-O 3.45Å; F188-K199 HydrophobicContact CD1-CB 3.98Å; F188-K199 HydrophobicContact CD1-CG 3.97Å; F188-K199 HydrophobicContact CE1-CB 3.96Å; F188-K199 HydrophobicContact CE1-CD 3.69Å; F188-K199 HydrophobicContact CE1-CG 3.57Å; F188-K199 HydrophobicContact CZ-CD 3.89Å; F188-K199 HydrophobicContact CZ-CG 3.9Å
189	Y	91.5	Very high	77.9	Confident	1 Å²	1	26.5 Å²	26.5	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	159.6	164.3	-55.2	-75.9	0	0	0	109.4	S87 L90 K91 I94 I176 E177 V187 I198	S87-Y189 PolarHBondContact OG-OH 3Å; S87-Y189 VanDerWaalsContact OG-OH 3.1Å; L90-Y189 HydrophobicContact CD2-CE2 4.22Å; L90-Y189 WeakPolarHBondContact CD2-OH 3.48Å; L90-Y189 HydrophobicContact CG-CE2 4.42Å; K91-Y189 HydrophobicContact CD-CD1 4.43Å; K91-Y189 HydrophobicContact CD-CE1 4.15Å; K91-Y189 HydrophobicContact CG-CD1 4.07Å; K91-Y189 HydrophobicContact CG-CE1 3.72Å; I94-Y189 HydrophobicContact CD1-CD2 4.42Å; I94-Y189 HydrophobicContact CD1-CE2 4.24Å; I176-Y189 VanDerWaalsContact O-CA 3.3Å; I176-Y189 WeakPolarHBondContact O-CA 2.96Å; E177-Y189 HydrophobicContact CB-CD1 3.98Å; E177-Y189 HydrophobicContact CB-CE1 3.86Å; E177-Y189 HydrophobicContact CG-CD1 4.23Å; E177-Y189 HydrophobicContact CG-CE1 3.81Å; V187-Y189 HydrophobicContact CG1-CD2 4.48Å; V187-Y189 HydrophobicContact CG1-CE1 4.02Å; V187-Y189 HydrophobicContact CG1-CE2 3.89Å; Y189-I198 HydrophobicContact CD2-CB 4.49Å; Y189-I198 PolarHBondContact N-O 3.47Å; Y189-I198 PolarHBondContact O-N 3.13Å
190	L	90.9	Very high	79.6	Confident	4 Å²	4	23.5 Å²	23.5	2%	0.021	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	139.3	-177.5	177.7	83	0	0	0	108.4	I176 L178 D194 F196 I197	I176-L190 HydrophobicContact CB-CB 4.37Å; I176-L190 HydrophobicContact CD1-CD2 4.34Å; I176-L190 PolarHBondContact N-O 3.48Å; I176-L190 PolarHBondContact O-N 3.06Å; L178-L190 HydrophobicContact CD1-CB 4.11Å; L178-L190 HydrophobicContact CD2-CB 4.07Å; L178-L190 HydrophobicContact CG-CB 4.36Å; L190-D194 WeakPolarHBondContact CD1-OD1 3.47Å; L190-D194 WeakPolarHBondContact CD2-OD1 3.46Å; L190-F196 WeakPolarHBondContact CA-O 3.36Å; L190-I197 HydrophobicContact CD1-CG1 4.01Å
191	T	92.6	Very high	81.3	Confident	1 Å²	1	20.9 Å²	20.9	1%	0.006	12%	0.119	C	C	.	.			trans	-72.7	159.7	173.1	52.3	0	0	0	0	111.7	S169 L170 L175 D193 D194 F196	S169-T191 WeakPolarHBondContact O-CB 3.35Å; S169-T191 WeakPolarHBondContact O-CG2 3.5Å; L170-T191 HydrophobicContact CD2-CG2 3.53Å; L170-T191 HydrophobicContact CG-CG2 4.06Å; L175-T191 HydrophobicContact CD2-CG2 4.06Å; T191-D193 VanDerWaalsContact C-N 3.32Å; T191-D193 WeakPolarHBondContact CB-OD1 3.38Å; T191-D193 PolarHBondContact O-N 3.26Å; T191-D193 PolarHBondContact OG1-OD1 2.97Å; T191-D194 WeakPolarHBondContact O-CA 3.31Å; T191-D194 PolarHBondContact O-N 2.7Å; T191-F196 HydrophobicContact CG2-CB 3.8Å; T191-F196 HydrophobicContact CG2-CD2 4.17Å; T191-F196 HydrophobicContact CG2-CG 4.48Å; T191-F196 PolarHBondContact N-O 2.99Å; T191-F196 VanDerWaalsContact N-O 3.12Å; T191-F196 PolarHBondContact OG1-N 3.21Å; T191-F196 VanDerWaalsContact OG1-N 3.1Å; T191-F196 PolarHBondContact OG1-O 2.76Å
192	K	89.9	Confident	83.2	Confident	118 Å²	118	23.3 Å²	23.3	51%	0.513	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-31.3	-174.5	-177.7	-171.8	177.5	-174.5	0	113.1	E173	E173-K192 HydrophobicContact CB-CB 3.92Å; E173-K192 HydrophobicContact CB-CD 3.96Å; E173-K192 HydrophobicContact CG-CB 4.48Å; E173-K192 HydrophobicContact CG-CD 3.89Å; E173-K192 WeakPolarHBondContact OE1-CD 3.48Å; E173-K192 IonicContact OE1-NZ 3.97Å; E173-K192 PolarHBondContact OE1-NZ 2.93Å; E173-K192 WeakPolarHBondContact OE2-CD 3.43Å; E173-K192 WeakPolarHBondContact OE2-CE 3.4Å; E173-K192 IonicContact OE2-NZ 2.71Å; E173-K192 PolarHBondContact OE2-NZ 3.49Å
193	D	86.6	Confident	85.1	Confident	40 Å²	40	27.2 Å²	27.2	21%	0.214	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-7.2	171	50.8	24.6	0	0	0	113.7	S169 T191 E195 Q362	S169-D193 WeakPolarHBondContact CA-OD2 3.37Å; S169-D193 WeakPolarHBondContact CB-OD2 3.42Å; S169-D193 PolarHBondContact OG-OD2 2.81Å; T191-D193 VanDerWaalsContact C-N 3.32Å; T191-D193 WeakPolarHBondContact CB-OD1 3.38Å; T191-D193 PolarHBondContact O-N 3.26Å; T191-D193 PolarHBondContact OG1-OD1 2.97Å; D193-E195 HydrophobicContact CB-CG 4.26Å; D193-E195 PolarHBondContact O-N 3.4Å; D193-E195 PolarHBondContact OD1-N 2.89Å; D193-Q362 PolarHBondContact O-NE2 2.93Å
194	D	85	Confident	87	Confident	12 Å²	12	29.5 Å²	29.5	6%	0.064	14%	0.143	C	C	.	.	S	Bend	trans	67.5	9.8	177.6	-166.6	78.1	0	0	0	115.2	L190 T191 N251 P254 R255	L190-D194 WeakPolarHBondContact CD1-OD1 3.47Å; L190-D194 WeakPolarHBondContact CD2-OD1 3.46Å; T191-D194 WeakPolarHBondContact O-CA 3.31Å; T191-D194 PolarHBondContact O-N 2.7Å; D194-N251 VanDerWaalsContact CG-ND2 3.34Å; D194-N251 WeakPolarHBondContact O-CB 3.44Å; D194-N251 PolarHBondContact O-ND2 3.22Å; D194-N251 PolarHBondContact OD2-ND2 3.3Å; D194-P254 WeakPolarHBondContact OD2-CA 3.22Å; D194-R255 WeakPolarHBondContact OD1-CD 3.47Å; D194-R255 VanDerWaalsContact OD1-CG 3.27Å; D194-R255 WeakPolarHBondContact OD1-CG 3.28Å; D194-R255 IonicContact OD1-NE 3.06Å; D194-R255 PolarHBondContact OD1-NE 2.83Å; D194-R255 WeakPolarHBondContact OD2-CG 3.37Å; D194-R255 PolarHBondContact OD2-N 3.06Å
195	E	85.5	Confident	88.7	Confident	44 Å²	44	28.8 Å²	28.8	21%	0.206	14%	0.136	C	C	.	.			trans	-74.7	-37.1	-179.6	-61.6	-160.9	133.9	0	0	113.8	D193 N251 Y366	D193-E195 HydrophobicContact CB-CG 4.26Å; D193-E195 PolarHBondContact O-N 3.4Å; D193-E195 PolarHBondContact OD1-N 2.89Å; E195-N251 WeakPolarHBondContact O-CB 3.29Å; E195-N251 PolarHBondContact O-N 3.03Å; E195-Y366 HydrophobicContact CB-CD2 4.31Å; E195-Y366 HydrophobicContact CG-CD2 4.46Å; E195-Y366 WeakPolarHBondContact OE1-CE2 3.4Å; E195-Y366 WeakPolarHBondContact OE2-CE2 3.5Å
196	F	92	Very high	89.9	Confident	1 Å²	1	28.6 Å²	28.6	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.9	-170.8	-56.4	-73.1	0	0	0	112.7	I161 Y166 L170 L190 T191 F232 V248	I161-F196 HydrophobicContact CD1-CE1 3.95Å; I161-F196 HydrophobicContact CD1-CZ 4.38Å; I161-F196 HydrophobicContact CG2-CZ 4.22Å; Y166-F196 HydrophobicContact CD2-CE1 4.08Å; Y166-F196 HydrophobicContact CD2-CZ 4.09Å; Y166-F196 HydrophobicContact CE2-CE1 4.4Å; L170-F196 HydrophobicContact CD2-CB 4.33Å; L190-F196 WeakPolarHBondContact CA-O 3.36Å; T191-F196 HydrophobicContact CG2-CB 3.8Å; T191-F196 HydrophobicContact CG2-CD2 4.17Å; T191-F196 HydrophobicContact CG2-CG 4.48Å; T191-F196 PolarHBondContact N-O 2.99Å; T191-F196 VanDerWaalsContact N-O 3.12Å; T191-F196 PolarHBondContact OG1-N 3.21Å; T191-F196 VanDerWaalsContact OG1-N 3.1Å; T191-F196 PolarHBondContact OG1-O 2.76Å; F196-F232 AromaticContact CD1-CD2 3.5Å; F196-F232 HydrophobicContact CD1-CD2 3.5Å; F196-F232 AromaticContact CD1-CE2 3.54Å; F196-F232 HydrophobicContact CD1-CE2 3.54Å; F196-F232 AromaticContact CE1-CD2 3.59Å; F196-F232 HydrophobicContact CE1-CD2 3.59Å; F196-F232 AromaticContact CE1-CE2 3.51Å; F196-F232 HydrophobicContact CE1-CE2 3.51Å; F196-F232 HydrophobicContact CE1-CG 4.44Å; F196-F232 HydrophobicContact CE1-CZ 4.33Å; F196-V248 HydrophobicContact CB-CG1 4.32Å; F196-V248 HydrophobicContact CD1-CG1 4.45Å
197	I	92.4	Very high	90.6	Very high	29 Å²	29	32.3 Å²	32.3	15%	0.149	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.3	169.4	-65.5	177.9	0	0	0	108.9	F188 L190 V248 M249 N251	F188-I197 HydrophobicContact CD1-CG2 3.85Å; L190-I197 HydrophobicContact CD1-CG1 4.01Å; I197-V248 WeakPolarHBondContact O-CA 3.19Å; I197-M249 HydrophobicContact CB-CG 4.31Å; I197-M249 PolarHBondContact N-O 3.34Å; I197-M249 WeakPolarHBondContact O-CG 3.28Å; I197-M249 PolarHBondContact O-N 3.44Å; I197-N251 HydrophobicContact CD1-CB 4.06Å; I197-N251 HydrophobicContact CG1-CB 4.01Å
198	I	95.2	Very high	91	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	115.3	168.8	-42.6	-174.5	0	0	0	108.2	I94 L170 L175 F188 Y189 V246 V247 V248	I94-I198 HydrophobicContact CG2-CD1 3.98Å; L170-I198 HydrophobicContact CD2-CD1 3.73Å; L170-I198 HydrophobicContact CD2-CG1 4.11Å; L175-I198 HydrophobicContact CD1-CD1 3.85Å; L175-I198 HydrophobicContact CD2-CD1 3.9Å; F188-I198 CarbonylContact C-O 3.52Å; F188-I198 VanDerWaalsContact CA-O 3.29Å; F188-I198 WeakPolarHBondContact CA-O 3.45Å; Y189-I198 HydrophobicContact CD2-CB 4.49Å; Y189-I198 PolarHBondContact N-O 3.47Å; Y189-I198 PolarHBondContact O-N 3.13Å; I198-V246 HydrophobicContact CG2-CB 3.73Å; I198-V246 HydrophobicContact CG2-CG1 4.12Å; I198-V246 HydrophobicContact CG2-CG2 4.23Å; I198-V247 CarbonylContact C-O 3.55Å; I198-V247 WeakPolarHBondContact CA-O 3.37Å; I198-V248 HydrophobicContact CD1-CG2 4.49Å; I198-V248 HydrophobicContact CG1-CG2 4.18Å; I198-V248 HydrophobicContact CG2-CG2 4.24Å
199	K	92.6	Very high	91.4	Very high	12 Å²	12	32.4 Å²	32.4	5%	0.052	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.7	177.6	-176.2	-177.7	-178.2	-168.6	0	110.2	F188 V201 V246 V247 D410	F188-K199 HydrophobicContact CD1-CB 3.98Å; F188-K199 HydrophobicContact CD1-CG 3.97Å; F188-K199 HydrophobicContact CE1-CB 3.96Å; F188-K199 HydrophobicContact CE1-CD 3.69Å; F188-K199 HydrophobicContact CE1-CG 3.57Å; F188-K199 HydrophobicContact CZ-CD 3.89Å; F188-K199 HydrophobicContact CZ-CG 3.9Å; K199-V201 HydrophobicContact CG-CG1 4.48Å; K199-V246 WeakPolarHBondContact O-CA 3.14Å; K199-V247 PolarHBondContact N-O 3.15Å; K199-V247 PolarHBondContact O-N 3.23Å; K199-D410 IonicContact NZ-OD1 3.57Å; K199-D410 PolarHBondContact NZ-OD1 3.09Å; K199-D410 IonicContact NZ-OD2 2.66Å
200	T	92.8	Very high	91.5	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.018	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	130.9	166.3	62.5	0	0	0	0	110.2	Y82 S186 V187 I244 R245 V246	Y82-T200 HydrophobicContact CE1-CG2 4.19Å; S186-T200 WeakPolarHBondContact CA-OG1 3.46Å; S186-T200 WeakPolarHBondContact CB-O 3.01Å; V187-T200 HydrophobicContact CB-CG2 3.86Å; V187-T200 PolarHBondContact N-OG1 3.28Å; V187-T200 PolarHBondContact O-N 2.9Å; V187-T200 PolarHBondContact O-OG1 3.4Å; T200-I244 HydrophobicContact CG2-CG2 4.23Å; T200-R245 CarbonylContact C-O 3.59Å; T200-R245 VanDerWaalsContact CA-O 3.28Å; T200-R245 WeakPolarHBondContact CA-O 3.34Å; T200-V246 HydrophobicContact CG2-CG1 4.02Å
201	V	92.2	Very high	91.6	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.024	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	155.3	-179.2	-64.8	0	0	0	0	112.1	K199 E205 A206 R245 V247 L412	K199-V201 HydrophobicContact CG-CG1 4.48Å; V201-E205 WeakPolarHBondContact CA-OE2 3.44Å; V201-E205 HydrophobicContact CB-CB 4.12Å; V201-A206 HydrophobicContact CG2-CB 4.01Å; V201-R245 HydrophobicContact CG2-CB 3.82Å; V201-R245 PolarHBondContact N-O 3.35Å; V201-V247 HydrophobicContact CG1-CB 4.39Å; V201-V247 HydrophobicContact CG1-CG2 3.85Å; V201-V247 HydrophobicContact CG2-CG2 3.93Å; V201-L412 HydrophobicContact CG1-CD1 4.06Å
202	M	90.6	Very high	91.7	Very high	96 Å²	96	39.5 Å²	39.5	47%	0.473	18%	0.183	S	C	.	.			trans	-70.4	164.5	173.9	-60.6	-166.8	-179.5	0	0	111.7	K204 E205 A206	M202-K204 VanDerWaalsContact C-N 3.31Å; M202-K204 PolarHBondContact O-N 3.02Å; M202-E205 HydrophobicContact CB-CB 4.43Å; M202-E205 HydrophobicContact CB-CG 4.17Å; M202-E205 PolarHBondContact N-OE2 3.22Å; M202-E205 PolarHBondContact O-N 3.16Å; M202-A206 PolarHBondContact O-N 3.35Å
203	H	90.9	Very high	92	Very high	94 Å²	94	33.9 Å²	33.9	44%	0.435	16%	0.158	S	C	.	.	H	α-helix	trans	-60.1	-43.7	175.3	-167.9	-20.2	0	0	0	112	A206 E207 R245	H203-A206 PolarHBondContact O-N 2.97Å; H203-E207 IonicContact CE1-OE1 2.71Å; H203-E207 PolarHBondContact CE1-OE1 3.13Å; H203-E207 IonicContact ND1-OE1 2.77Å; H203-E207 PolarHBondContact O-N 3.3Å; H203-E207 VanDerWaalsContact O-N 3.12Å; H203-R245 PolarHBondContact CD2-NH2 3.08Å; H203-R245 PolarHBondContact CE1-NH2 3.17Å; H203-R245 VanDerWaalsContact CE1-NH2 3.3Å; H203-R245 PolarHBondContact ND1-NH2 2.89Å; H203-R245 PolarHBondContact NE2-NH2 3.5Å
204	K	89.1	Confident	92.5	Very high	98 Å²	98	33 Å²	33	43%	0.426	16%	0.155	S	C	.	.	H	α-helix	trans	-63.2	-41.8	-179	-62.5	161.4	-176.3	164.9	0	110.8	M202 F208 L417 D685	M202-K204 VanDerWaalsContact C-N 3.31Å; M202-K204 PolarHBondContact O-N 3.02Å; K204-F208 WeakPolarHBondContact O-CB 3.11Å; K204-F208 PolarHBondContact O-N 3.38Å; K204-F208 VanDerWaalsContact O-N 3.16Å; K204-L417 HydrophobicContact CB-CD1 4.1Å; K204-D685 IonicContact NZ-OD1 3.77Å; K204-D685 PolarHBondContact NZ-OD1 2.58Å; K204-D685 IonicContact NZ-OD2 3.93Å; K204-D685 PolarHBondContact NZ-OD2 2.79Å
205	E	92.2	Very high	92.9	Very high	14 Å²	14	33 Å²	33	7%	0.065	16%	0.159	C	C	.	.	H	α-helix	trans	-66.7	-44.4	175.3	-68.8	179.6	121.5	0	0	113	V201 M202 F208 L209 L412	V201-E205 WeakPolarHBondContact CA-OE2 3.44Å; V201-E205 HydrophobicContact CB-CB 4.12Å; M202-E205 HydrophobicContact CB-CB 4.43Å; M202-E205 HydrophobicContact CB-CG 4.17Å; M202-E205 PolarHBondContact N-OE2 3.22Å; M202-E205 PolarHBondContact O-N 3.16Å; E205-F208 PolarHBondContact O-N 2.91Å; E205-L209 PolarHBondContact O-N 3.09Å; E205-L412 HydrophobicContact CB-CB 4.02Å; E205-L412 HydrophobicContact CB-CD1 4.22Å; E205-L412 HydrophobicContact CG-CB 4.07Å
206	A	94.1	Very high	93.4	Very high	2 Å²	2	31.1 Å²	31.1	2%	0.017	15%	0.149	C	C	.	.	H	α-helix	trans	-65.9	-41.5	-178.8	0	0	0	0	0	112.7	V201 M202 H203 F208 L209 Q210 L234 R245	V201-A206 HydrophobicContact CG2-CB 4.01Å; M202-A206 PolarHBondContact O-N 3.35Å; H203-A206 PolarHBondContact O-N 2.97Å; A206-F208 VanDerWaalsContact C-N 3.29Å; A206-F208 PolarHBondContact O-N 3.42Å; A206-L209 PolarHBondContact O-N 3.35Å; A206-Q210 PolarHBondContact O-N 3.38Å; A206-L234 HydrophobicContact CB-CD1 4.05Å; A206-R245 HydrophobicContact CB-CB 4.3Å; A206-R245 VanDerWaalsContact CB-CD 3.4Å; A206-R245 HydrophobicContact CB-CG 4.43Å
207	E	93.3	Very high	93.6	Very high	83 Å²	83	34.2 Å²	34.2	39%	0.388	16%	0.162	S	C	.	.	H	α-helix	trans	-62.5	-37.6	171.2	-82	-166.1	-154.1	0	0	112.4	H203 Q210 K211	H203-E207 IonicContact CE1-OE1 2.71Å; H203-E207 PolarHBondContact CE1-OE1 3.13Å; H203-E207 IonicContact ND1-OE1 2.77Å; H203-E207 PolarHBondContact O-N 3.3Å; H203-E207 VanDerWaalsContact O-N 3.12Å; E207-Q210 PolarHBondContact O-N 3.23Å; E207-K211 VanDerWaalsContact O-CD 3.32Å; E207-K211 WeakPolarHBondContact O-CD 3.35Å; E207-K211 VanDerWaalsContact O-CG 3.27Å; E207-K211 WeakPolarHBondContact O-CG 3.19Å; E207-K211 PolarHBondContact O-N 3.24Å; E207-K211 VanDerWaalsContact O-N 3.09Å; E207-K211 IonicContact OE2-NZ 3.28Å; E207-K211 PolarHBondContact OE2-NZ 3.11Å
208	F	93.6	Very high	93.7	Very high	25 Å²	25	38.1 Å²	38.1	11%	0.11	18%	0.181	C	C	.	.	H	α-helix	trans	-68.1	-41.9	178.1	179.1	-105.3	0	0	0	111.4	K204 E205 A206 Q210 K211 L212 F323 I325 L412 S414	K204-F208 WeakPolarHBondContact O-CB 3.11Å; K204-F208 PolarHBondContact O-N 3.38Å; K204-F208 VanDerWaalsContact O-N 3.16Å; E205-F208 PolarHBondContact O-N 2.91Å; A206-F208 VanDerWaalsContact C-N 3.29Å; A206-F208 PolarHBondContact O-N 3.42Å; F208-Q210 VanDerWaalsContact C-N 3.32Å; F208-Q210 PolarHBondContact O-N 2.91Å; F208-K211 CarbonylContact O-C 3.51Å; F208-K211 PolarHBondContact O-N 3.35Å; F208-K211 VanDerWaalsContact O-N 3.16Å; F208-L212 HydrophobicContact CE1-CD2 4.42Å; F208-L212 WeakPolarHBondContact O-CB 3.3Å; F208-L212 PolarHBondContact O-N 3.36Å; F208-F323 HydrophobicContact CZ-CB 4.24Å; F208-I325 HydrophobicContact CE1-CD1 3.85Å; F208-I325 HydrophobicContact CE1-CG1 3.71Å; F208-I325 HydrophobicContact CZ-CD1 3.8Å; F208-I325 HydrophobicContact CZ-CG1 3.49Å; F208-I325 VanDerWaalsContact CZ-CG1 3.49Å; F208-L412 HydrophobicContact CD1-CD2 4.46Å; F208-L412 WeakPolarHBondContact CD1-O 3.32Å; F208-S414 VanDerWaalsContact CE2-CB 3.44Å; F208-S414 WeakPolarHBondContact CE2-OG 3.49Å
209	L	95.9	Very high	93.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.5	-44.5	172	178.6	54.2	0	0	0	111.3	E205 A206 K211 L212 L213 F231 L234 V247 L412	E205-L209 PolarHBondContact O-N 3.09Å; A206-L209 PolarHBondContact O-N 3.35Å; L209-K211 VanDerWaalsContact C-N 3.31Å; L209-K211 PolarHBondContact O-N 2.77Å; L209-L212 HydrophobicContact CD1-CD2 4.43Å; L209-L212 WeakPolarHBondContact O-CB 3.08Å; L209-L212 PolarHBondContact O-N 3.24Å; L209-L213 HydrophobicContact CD1-CD2 3.85Å; L209-L213 HydrophobicContact CG-CD2 4.2Å; L209-L213 WeakPolarHBondContact O-CD2 3.47Å; L209-L213 VanDerWaalsContact O-CG 3.31Å; L209-L213 WeakPolarHBondContact O-CG 3.44Å; L209-L213 PolarHBondContact O-N 3.44Å; L209-F231 HydrophobicContact CD1-CD2 3.77Å; L209-F231 HydrophobicContact CD1-CE2 3.65Å; L209-F231 HydrophobicContact CD1-CG 4.28Å; L209-F231 HydrophobicContact CD1-CZ 4.08Å; L209-L234 HydrophobicContact CB-CD2 4.48Å; L209-L234 HydrophobicContact CD2-CB 4.31Å; L209-L234 HydrophobicContact CD2-CD1 4.41Å; L209-L234 HydrophobicContact CD2-CD2 4.21Å; L209-L234 HydrophobicContact CG-CD2 4.35Å; L209-V247 HydrophobicContact CD2-CG1 4.15Å; L209-V247 HydrophobicContact CD2-CG2 3.59Å; L209-L412 HydrophobicContact CB-CD1 4.5Å; L209-L412 HydrophobicContact CB-CD2 3.91Å; L209-L412 HydrophobicContact CD1-CD2 4.12Å; L209-L412 HydrophobicContact CG-CD2 4.43Å
210	Q	94.5	Very high	93.6	Very high	29 Å²	29	38 Å²	38	14%	0.136	18%	0.18	C	C	.	.	H	α-helix	trans	-61	-39.7	177	-165.1	172.5	17.5	0	0	112.3	F118 Y119 A206 E207 F208 L212 L213	F118-Q210 WeakPolarHBondContact O-CG 3.43Å; F118-Q210 PolarHBondContact O-NE2 2.78Å; Y119-Q210 PolarHBondContact O-NE2 3.19Å; A206-Q210 PolarHBondContact O-N 3.38Å; E207-Q210 PolarHBondContact O-N 3.23Å; F208-Q210 VanDerWaalsContact C-N 3.32Å; F208-Q210 PolarHBondContact O-N 2.91Å; Q210-L212 VanDerWaalsContact C-N 3.27Å; Q210-L212 PolarHBondContact O-N 3.16Å; Q210-L213 PolarHBondContact O-N 2.88Å
211	K	92.8	Very high	93.5	Very high	121 Å²	121	41.5 Å²	41.5	53%	0.526	20%	0.199	S	C	.	.	H	α-helix	trans	-71.5	-19.5	175.6	-66.5	159.2	-165.1	166.2	0	113.2	E207 F208 L209	E207-K211 VanDerWaalsContact O-CD 3.32Å; E207-K211 WeakPolarHBondContact O-CD 3.35Å; E207-K211 VanDerWaalsContact O-CG 3.27Å; E207-K211 WeakPolarHBondContact O-CG 3.19Å; E207-K211 PolarHBondContact O-N 3.24Å; E207-K211 VanDerWaalsContact O-N 3.09Å; E207-K211 IonicContact OE2-NZ 3.28Å; E207-K211 PolarHBondContact OE2-NZ 3.11Å; F208-K211 CarbonylContact O-C 3.51Å; F208-K211 PolarHBondContact O-N 3.35Å; F208-K211 VanDerWaalsContact O-N 3.16Å; L209-K211 VanDerWaalsContact C-N 3.31Å; L209-K211 PolarHBondContact O-N 2.77Å
212	L	94.8	Very high	93.4	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-83.4	-26.4	177.2	-178.8	63.6	0	0	0	112.8	F208 L209 Q210 P214 G215 Y216 F323 I325 I411	F208-L212 HydrophobicContact CE1-CD2 4.42Å; F208-L212 WeakPolarHBondContact O-CB 3.3Å; F208-L212 PolarHBondContact O-N 3.36Å; L209-L212 HydrophobicContact CD1-CD2 4.43Å; L209-L212 WeakPolarHBondContact O-CB 3.08Å; L209-L212 PolarHBondContact O-N 3.24Å; Q210-L212 VanDerWaalsContact C-N 3.27Å; Q210-L212 PolarHBondContact O-N 3.16Å; L212-P214 VanDerWaalsContact C-CD 3.5Å; L212-G215 PolarHBondContact O-N 3.13Å; L212-G215 VanDerWaalsContact O-N 3.09Å; L212-Y216 PolarHBondContact O-N 3.33Å; L212-F323 HydrophobicContact CD1-CB 4.1Å; L212-F323 HydrophobicContact CD1-CD1 3.78Å; L212-F323 HydrophobicContact CD1-CD2 3.44Å; L212-F323 VanDerWaalsContact CD1-CD2 3.44Å; L212-F323 HydrophobicContact CD1-CE1 4.17Å; L212-F323 HydrophobicContact CD1-CE2 3.87Å; L212-F323 HydrophobicContact CD1-CG 3.44Å; L212-F323 VanDerWaalsContact CD1-CG 3.44Å; L212-F323 HydrophobicContact CD1-CZ 4.25Å; L212-I325 HydrophobicContact CD1-CD1 4.35Å; L212-I325 HydrophobicContact CD2-CD1 4.49Å; L212-I411 HydrophobicContact CD2-CD1 4.18Å
213	L	96.7	Very high	93.2	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-53.7	-41.7	-170.1	-56.3	-175.2	0	0	0	115.7	F118 A148 F152 F155 L209 Q210 G215 Y216 Y217	F118-L213 HydrophobicContact CB-CB 4.34Å; F118-L213 HydrophobicContact CD1-CB 3.5Å; F118-L213 VanDerWaalsContact CD1-CB 3.5Å; F118-L213 HydrophobicContact CD1-CD1 4.28Å; F118-L213 HydrophobicContact CE1-CB 4.13Å; F118-L213 HydrophobicContact CG-CB 4.18Å; A148-L213 HydrophobicContact CB-CD1 3.51Å; F152-L213 HydrophobicContact CE1-CD2 4.47Å; F152-L213 HydrophobicContact CE2-CD1 3.95Å; F152-L213 HydrophobicContact CE2-CD2 4.49Å; F152-L213 HydrophobicContact CZ-CD1 4.18Å; F152-L213 HydrophobicContact CZ-CD2 3.88Å; F155-L213 HydrophobicContact CE2-CD2 4.23Å; L209-L213 HydrophobicContact CD1-CD2 3.85Å; L209-L213 HydrophobicContact CG-CD2 4.2Å; L209-L213 WeakPolarHBondContact O-CD2 3.47Å; L209-L213 VanDerWaalsContact O-CG 3.31Å; L209-L213 WeakPolarHBondContact O-CG 3.44Å; L209-L213 PolarHBondContact O-N 3.44Å; Q210-L213 PolarHBondContact O-N 2.88Å; L213-G215 VanDerWaalsContact C-N 3.35Å; L213-G215 PolarHBondContact O-N 3.36Å; L213-Y216 PolarHBondContact O-N 3.1Å; L213-Y217 WeakPolarHBondContact O-CB 3.08Å; L213-Y217 PolarHBondContact O-N 2.93Å
214	P	96	Very high	92.7	Very high	21 Å²	21	42.7 Å²	42.7	14%	0.136	21%	0.211	C	C	.	.	H	α-helix	trans	-64.1	-39.4	178.7	-20.7	32.5	0	0	0	112.6	M115 F118 L212 M218	M115-P214 HydrophobicContact CE-CB 4.3Å; M115-P214 HydrophobicContact SD-CB 4.05Å; M115-P214 HydrophobicContact SD-CG 4.09Å; F118-P214 HydrophobicContact CB-CG 4.17Å; F118-P214 HydrophobicContact CD2-CB 4.14Å; F118-P214 HydrophobicContact CD2-CG 3.76Å; F118-P214 HydrophobicContact CE2-CB 4.17Å; F118-P214 HydrophobicContact CE2-CG 4.3Å; F118-P214 HydrophobicContact CG-CG 3.95Å; L212-P214 VanDerWaalsContact C-CD 3.5Å; P214-M218 WeakPolarHBondContact O-CG 3.2Å; P214-M218 PolarHBondContact O-N 3.08Å; P214-M218 VanDerWaalsContact O-N 3.16Å
215	G	94.8	Very high	92.3	Very high	14 Å²	14	41.3 Å²	41.3	14%	0.144	20%	0.203	C	C	.	.	H	α-helix	trans	-73.2	-34.3	176	0	0	0	0	0	113.3	L212 L213 M218 N219	L212-G215 PolarHBondContact O-N 3.13Å; L212-G215 VanDerWaalsContact O-N 3.09Å; L213-G215 VanDerWaalsContact C-N 3.35Å; L213-G215 PolarHBondContact O-N 3.36Å; G215-M218 PolarHBondContact O-N 2.69Å; G215-N219 PolarHBondContact O-N 2.57Å
216	Y	95.8	Very high	92.3	Very high	3 Å²	3	40.6 Å²	40.6	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-62.9	-46.5	172.4	-176.1	-108.7	0	0	0	110.9	F155 L212 L213 M218 N219 L220 P229 K230 F231	F155-Y216 HydrophobicContact CD1-CD1 4.43Å; F155-Y216 HydrophobicContact CD1-CE1 4.34Å; F155-Y216 HydrophobicContact CD2-CD1 4.42Å; F155-Y216 HydrophobicContact CD2-CE1 4.27Å; F155-Y216 HydrophobicContact CE1-CD1 4.02Å; F155-Y216 HydrophobicContact CE1-CE1 4.39Å; F155-Y216 HydrophobicContact CE2-CD1 4.03Å; F155-Y216 HydrophobicContact CE2-CE1 4.33Å; F155-Y216 HydrophobicContact CG-CE1 4.3Å; F155-Y216 AromaticContact CZ-CD1 3.81Å; F155-Y216 HydrophobicContact CZ-CD1 3.81Å; F155-Y216 HydrophobicContact CZ-CE1 4.39Å; L212-Y216 PolarHBondContact O-N 3.33Å; L213-Y216 PolarHBondContact O-N 3.1Å; Y216-M218 VanDerWaalsContact C-N 3.32Å; Y216-M218 PolarHBondContact O-N 2.81Å; Y216-N219 PolarHBondContact O-N 3.38Å; Y216-N219 VanDerWaalsContact O-N 3.1Å; Y216-L220 HydrophobicContact CD1-CD1 3.98Å; Y216-L220 HydrophobicContact CD1-CG 4.31Å; Y216-L220 HydrophobicContact CE1-CD1 3.53Å; Y216-L220 HydrophobicContact CE1-CD2 4.47Å; Y216-L220 HydrophobicContact CE1-CG 4.11Å; Y216-L220 HydrophobicContact CE2-CD2 4.21Å; Y216-L220 HydrophobicContact CE2-CG 4.47Å; Y216-L220 WeakPolarHBondContact O-CG 3.48Å; Y216-L220 PolarHBondContact O-N 3.23Å; Y216-P229 WeakPolarHBondContact CE2-O 3.1Å; Y216-P229 PolarHBondContact OH-O 2.96Å; Y216-K230 WeakPolarHBondContact OH-CA 3.38Å; Y216-F231 HydrophobicContact CD2-CD2 4.41Å; Y216-F231 HydrophobicContact CE1-CB 4.45Å; Y216-F231 HydrophobicContact CE1-CD2 4.06Å; Y216-F231 AromaticContact CE2-CD2 3.87Å; Y216-F231 HydrophobicContact CE2-CD2 3.87Å; Y216-F231 HydrophobicContact CE2-CE2 4.21Å; Y216-F231 AromaticContact CZ-CD2 3.68Å; Y216-F231 PolarHBondContact OH-N 2.9Å
217	Y	95.7	Very high	92.3	Very high	67 Å²	67	40.8 Å²	40.8	26%	0.263	20%	0.201	S	C	.	.	H	α-helix	trans	-54.8	-43.8	172.2	176.1	-84.3	0	0	0	112.6	V113 F118 Y154 F155 L213 N221	V113-Y217 HydrophobicContact CB-CE2 4.24Å; V113-Y217 HydrophobicContact CG2-CE2 4.36Å; F118-Y217 HydrophobicContact CZ-CD2 4.11Å; F118-Y217 AromaticContact CZ-CG 3.96Å; F118-Y217 HydrophobicContact CZ-CG 3.96Å; Y154-Y217 AromaticContact CD1-CD2 3.81Å; Y154-Y217 HydrophobicContact CD1-CD2 3.81Å; Y154-Y217 AromaticContact CD1-CE2 3.67Å; Y154-Y217 HydrophobicContact CD1-CE2 3.67Å; Y154-Y217 AromaticContact CE1-CD2 3.51Å; Y154-Y217 HydrophobicContact CE1-CD2 3.51Å; Y154-Y217 AromaticContact CE1-CE2 3.22Å; Y154-Y217 HydrophobicContact CE1-CE2 3.22Å; Y154-Y217 HydrophobicContact CE2-CE2 4.28Å; Y154-Y217 HydrophobicContact CG-CE2 4.37Å; Y154-Y217 AromaticContact CZ-CE2 3.56Å; F155-Y217 AromaticContact CE1-CD2 4Å; F155-Y217 HydrophobicContact CE1-CD2 4Å; F155-Y217 HydrophobicContact CE1-CG 4.46Å; L213-Y217 WeakPolarHBondContact O-CB 3.08Å; L213-Y217 PolarHBondContact O-N 2.93Å; Y217-N221 PolarHBondContact O-N 2.56Å; Y217-N221 PolarHBondContact O-ND2 3.1Å
218	M	94.8	Very high	92.4	Very high	111 Å²	111	37 Å²	37	55%	0.547	18%	0.183	S	C	.	.	H	α-helix	trans	-64.3	-44.2	174.4	-69.6	177	69.8	0	0	112.2	P214 G215 Y216 N221 Q222	P214-M218 WeakPolarHBondContact O-CG 3.2Å; P214-M218 PolarHBondContact O-N 3.08Å; P214-M218 VanDerWaalsContact O-N 3.16Å; G215-M218 PolarHBondContact O-N 2.69Å; Y216-M218 VanDerWaalsContact C-N 3.32Å; Y216-M218 PolarHBondContact O-N 2.81Å; M218-N221 PolarHBondContact O-N 2.94Å; M218-Q222 WeakPolarHBondContact O-CB 3.32Å; M218-Q222 VanDerWaalsContact O-CG 3.3Å; M218-Q222 WeakPolarHBondContact O-CG 3.36Å; M218-Q222 PolarHBondContact O-N 2.99Å
219	N	93.9	Very high	92.4	Very high	8 Å²	8	36.1 Å²	36.1	4%	0.043	18%	0.18	C	C	.	.	H	α-helix	trans	-63.5	-43.9	178	-179.4	59.7	0	0	0	112	G215 Y216 N221 Q222 N223 T226 V319	G215-N219 PolarHBondContact O-N 2.57Å; Y216-N219 PolarHBondContact O-N 3.38Å; Y216-N219 VanDerWaalsContact O-N 3.1Å; N219-N221 VanDerWaalsContact C-N 3.34Å; N219-N221 PolarHBondContact O-N 3.28Å; N219-Q222 CarbonylContact O-C 3.51Å; N219-Q222 PolarHBondContact O-N 3.29Å; N219-N223 CarbonylContact O-C 3.56Å; N219-N223 VanDerWaalsContact O-CA 3.3Å; N219-N223 WeakPolarHBondContact O-CA 3.34Å; N219-N223 VanDerWaalsContact O-CB 3.31Å; N219-N223 WeakPolarHBondContact O-CB 3.44Å; N219-N223 PolarHBondContact O-N 2.92Å; N219-T226 PolarHBondContact ND2-OG1 2.65Å; N219-T226 VanDerWaalsContact ND2-OG1 3.16Å; N219-V319 HydrophobicContact CB-CG2 4.23Å
220	L	91.5	Very high	92.3	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-60.5	-43.4	179.6	-66.4	-172.1	0	0	0	112.1	F155 L158 F159 Y216 Q222 N223 P224 T226	F155-L220 HydrophobicContact CD1-CD1 3.67Å; F155-L220 HydrophobicContact CE1-CD1 4.09Å; F155-L220 HydrophobicContact CG-CD1 4.41Å; L158-L220 HydrophobicContact CD2-CB 3.58Å; L158-L220 HydrophobicContact CD2-CD1 3.9Å; L158-L220 HydrophobicContact CD2-CG 4.33Å; F159-L220 HydrophobicContact CE1-CD2 4.12Å; F159-L220 HydrophobicContact CE2-CD1 3.97Å; F159-L220 HydrophobicContact CZ-CD1 3.71Å; F159-L220 HydrophobicContact CZ-CD2 3.58Å; F159-L220 HydrophobicContact CZ-CG 4.3Å; Y216-L220 HydrophobicContact CD1-CD1 3.98Å; Y216-L220 HydrophobicContact CD1-CG 4.31Å; Y216-L220 HydrophobicContact CE1-CD1 3.53Å; Y216-L220 HydrophobicContact CE1-CD2 4.47Å; Y216-L220 HydrophobicContact CE1-CG 4.11Å; Y216-L220 HydrophobicContact CE2-CD2 4.21Å; Y216-L220 HydrophobicContact CE2-CG 4.47Å; Y216-L220 WeakPolarHBondContact O-CG 3.48Å; Y216-L220 PolarHBondContact O-N 3.23Å; L220-Q222 PolarHBondContact O-N 3.35Å; L220-N223 CarbonylContact O-C 3Å; L220-P224 WeakPolarHBondContact O-CA 3.36Å; L220-P224 VanDerWaalsContact O-N 3.14Å; L220-T226 HydrophobicContact CD2-CG2 3.63Å
221	N	89.6	Confident	92.4	Very high	77 Å²	77	35.6 Å²	35.6	41%	0.412	18%	0.177	S	C	.	.	H	α-helix	trans	-69.9	-28.3	177.7	-79.5	-67.3	0	0	0	113.8	Y154 Y217 M218 N219	Y154-N221 PolarHBondContact OH-ND2 3.43Å; Y154-N221 PolarHBondContact OH-OD1 2.89Å; Y217-N221 PolarHBondContact O-N 2.56Å; Y217-N221 PolarHBondContact O-ND2 3.1Å; M218-N221 PolarHBondContact O-N 2.94Å; N219-N221 VanDerWaalsContact C-N 3.34Å; N219-N221 PolarHBondContact O-N 3.28Å
222	Q	89.9	Confident	92.6	Very high	124 Å²	124	29.9 Å²	29.9	58%	0.579	15%	0.152	S	C	*	.	H	α-helix	trans	-96.5	-13.9	178.7	-65.5	-178	9.3	0	0	113.9	M218 N219 L220 R315	M218-Q222 WeakPolarHBondContact O-CB 3.32Å; M218-Q222 VanDerWaalsContact O-CG 3.3Å; M218-Q222 WeakPolarHBondContact O-CG 3.36Å; M218-Q222 PolarHBondContact O-N 2.99Å; N219-Q222 CarbonylContact O-C 3.51Å; N219-Q222 PolarHBondContact O-N 3.29Å; L220-Q222 PolarHBondContact O-N 3.35Å; Q222-R315 PolarHBondContact O-NH2 3.47Å
223	N	87.5	Confident	92.8	Very high	8 Å²	8	29.7 Å²	29.7	4%	0.043	15%	0.151	C	C	.	.			trans	-151	67.4	-175	-165.9	29.7	0	0	0	109.4	N219 L220 R225 T226 D316	N219-N223 CarbonylContact O-C 3.56Å; N219-N223 VanDerWaalsContact O-CA 3.3Å; N219-N223 WeakPolarHBondContact O-CA 3.34Å; N219-N223 VanDerWaalsContact O-CB 3.31Å; N219-N223 WeakPolarHBondContact O-CB 3.44Å; N219-N223 PolarHBondContact O-N 2.92Å; L220-N223 CarbonylContact O-C 3Å; N223-R225 PolarHBondContact O-N 2.82Å; N223-T226 VanDerWaalsContact O-CB 3.31Å; N223-T226 WeakPolarHBondContact O-CB 3.39Å; N223-T226 WeakPolarHBondContact O-CG2 3.46Å; N223-T226 PolarHBondContact O-N 2.93Å; N223-D316 PolarHBondContact ND2-OD1 2.97Å
224	P	80.2	Confident	92.9	Very high	87 Å²	87	29.7 Å²	29.7	57%	0.565	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-9.4	176.3	26.5	-35.7	0	0	0	112.9	L220	L220-P224 WeakPolarHBondContact O-CA 3.36Å; L220-P224 VanDerWaalsContact O-N 3.14Å
225	R	80.8	Confident	93	Very high	68 Å²	68	28.9 Å²	28.9	26%	0.257	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-5.7	179.9	-58.9	-162.6	144	-148.3	-17	113.6	N223 T312 E371 S372 I373 Q374	N223-R225 PolarHBondContact O-N 2.82Å; R225-T312 HydrophobicContact CB-CG2 4.21Å; R225-T312 WeakPolarHBondContact O-CG2 3.25Å; R225-E371 PolarHBondContact NH2-O 3.49Å; R225-S372 WeakPolarHBondContact CB-O 3.36Å; R225-S372 WeakPolarHBondContact CD-O 3.3Å; R225-S372 WeakPolarHBondContact CG-O 3.13Å; R225-S372 PolarHBondContact NE-O 3.33Å; R225-I373 PolarHBondContact NH1-O 3.38Å; R225-Q374 PolarHBondContact NH2-O 2.71Å
226	T	92	Very high	93.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.138	C	C	.	.			trans	-50.2	140	-172.3	-173.5	0	0	0	0	114.1	N219 L220 N223 L228 D316	N219-T226 PolarHBondContact ND2-OG1 2.65Å; N219-T226 VanDerWaalsContact ND2-OG1 3.16Å; L220-T226 HydrophobicContact CD2-CG2 3.63Å; N223-T226 VanDerWaalsContact O-CB 3.31Å; N223-T226 WeakPolarHBondContact O-CB 3.39Å; N223-T226 WeakPolarHBondContact O-CG2 3.46Å; N223-T226 PolarHBondContact O-N 2.93Å; T226-L228 VanDerWaalsContact C-N 3.35Å; T226-L228 WeakPolarHBondContact OG1-CB 3.35Å; T226-L228 WeakPolarHBondContact OG1-CG 3.27Å; T226-L228 PolarHBondContact OG1-N 3.05Å; T226-D316 VanDerWaalsContact CB-OD1 3.31Å; T226-D316 WeakPolarHBondContact CB-OD1 3.32Å; T226-D316 PolarHBondContact OG1-OD1 3.44Å; T226-D316 PolarHBondContact OG1-OD2 3.45Å
227	L	93.8	Very high	93.2	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.026	14%	0.138	C	C	.	.			trans	-87	-3.6	173.4	-59.2	179.7	0	0	0	112.8	T312 L313 D316 L330 T368 I406 I408	L227-T312 HydrophobicContact CG-CG2 4.08Å; L227-L313 HydrophobicContact CD1-CD1 3.82Å; L227-D316 PolarHBondContact N-OD2 2.84Å; L227-L330 HydrophobicContact CD1-CD1 4.46Å; L227-T368 HydrophobicContact CD2-CG2 3.89Å; L227-I406 HydrophobicContact CD1-CD1 3.95Å; L227-I406 HydrophobicContact CD2-CD1 3.93Å; L227-I406 HydrophobicContact CD2-CG1 4.01Å; L227-I408 HydrophobicContact CB-CD1 4.19Å; L227-I408 HydrophobicContact CB-CG1 4Å; L227-I408 PolarHBondContact O-N 2.88Å
228	L	95	Very high	93.2	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.026	14%	0.139	C	C	.	.	S	Bend	trans	-63.1	155.5	174.5	-60.6	-178	0	0	0	111.2	T226 K230 D316 V319 L320 I408 I411	T226-L228 VanDerWaalsContact C-N 3.35Å; T226-L228 WeakPolarHBondContact OG1-CB 3.35Å; T226-L228 WeakPolarHBondContact OG1-CG 3.27Å; T226-L228 PolarHBondContact OG1-N 3.05Å; L228-K230 PolarHBondContact O-N 2.96Å; L228-D316 HydrophobicContact CD2-CB 4.19Å; L228-D316 HydrophobicContact CG-CB 4.22Å; L228-V319 HydrophobicContact CD1-CG1 4.1Å; L228-L320 HydrophobicContact CD2-CD1 3.84Å; L228-L320 HydrophobicContact CD2-CD2 3.83Å; L228-L320 HydrophobicContact CD2-CG 3.91Å; L228-I408 HydrophobicContact CD2-CB 4.32Å; L228-I408 HydrophobicContact CD2-CD1 4.14Å; L228-I408 HydrophobicContact CD2-CG2 4.43Å; L228-I411 HydrophobicContact CD2-CD1 4.34Å; L228-I411 HydrophobicContact CD2-CG2 4.33Å
229	P	94.4	Very high	92.9	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.032	12%	0.12	C	C	.	.			trans	-56.2	140.7	178.6	-23.1	34.1	0	0	0	111.7	Y216 F231 M249 I408 I411	Y216-P229 WeakPolarHBondContact CE2-O 3.1Å; Y216-P229 PolarHBondContact OH-O 2.96Å; P229-F231 HydrophobicContact CB-CD1 4.28Å; P229-F231 HydrophobicContact CB-CE1 3.79Å; P229-F231 HydrophobicContact CB-CE2 4.41Å; P229-F231 HydrophobicContact CB-CZ 3.87Å; P229-F231 HydrophobicContact CG-CE1 4.38Å; P229-F231 HydrophobicContact CG-CZ 4.12Å; P229-F231 PolarHBondContact O-N 3.2Å; P229-M249 HydrophobicContact CB-CE 4.27Å; P229-I408 WeakPolarHBondContact CD-O 3.39Å; P229-I408 VanDerWaalsContact CG-O 3.28Å; P229-I408 WeakPolarHBondContact CG-O 2.89Å; P229-I411 HydrophobicContact CG-CD1 4.31Å; P229-I411 HydrophobicContact CG-CG1 4.16Å
230	K	93.9	Very high	92.3	Very high	14 Å²	14	26.8 Å²	26.8	6%	0.061	16%	0.156	C	C	.	.			trans	-85.6	106.8	172.8	-54.2	-176.8	-173.1	-64.3	0	107.6	F159 Y216 L228 F232 M249 N250	F159-K230 HydrophobicContact CD1-CD 3.86Å; F159-K230 HydrophobicContact CD1-CG 4.25Å; F159-K230 HydrophobicContact CD2-CB 3.98Å; F159-K230 HydrophobicContact CD2-CG 4.46Å; F159-K230 HydrophobicContact CE1-CB 4.35Å; F159-K230 HydrophobicContact CE1-CD 3.92Å; F159-K230 HydrophobicContact CE1-CG 3.85Å; F159-K230 HydrophobicContact CE2-CB 3.66Å; F159-K230 HydrophobicContact CE2-CG 4.08Å; F159-K230 HydrophobicContact CG-CB 4.45Å; F159-K230 HydrophobicContact CG-CD 4.18Å; F159-K230 HydrophobicContact CZ-CB 3.85Å; F159-K230 HydrophobicContact CZ-CD 4.28Å; F159-K230 HydrophobicContact CZ-CG 3.74Å; Y216-K230 WeakPolarHBondContact OH-CA 3.38Å; L228-K230 PolarHBondContact O-N 2.96Å; K230-F232 HydrophobicContact CB-CE1 3.61Å; K230-F232 HydrophobicContact CB-CZ 3.58Å; K230-M249 WeakPolarHBondContact O-CA 3.34Å; K230-M249 WeakPolarHBondContact O-CB 3.44Å; K230-N250 HydrophobicContact CB-CB 4.01Å; K230-N250 WeakPolarHBondContact CB-OD1 3.49Å; K230-N250 HydrophobicContact CD-CB 4.31Å; K230-N250 HydrophobicContact CG-CB 4.4Å; K230-N250 PolarHBondContact N-OD1 2.9Å; K230-N250 PolarHBondContact O-N 3.15Å; K230-N250 VanDerWaalsContact O-N 3.14Å
231	F	96.8	Very high	91.9	Very high	5 Å²	5	29.9 Å²	29.9	2%	0.022	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125	-177.7	-59.7	-61.9	0	0	0	111	F152 L209 Y216 P229 V247 M249 I411 L412	F152-F231 HydrophobicContact CE1-CB 3.9Å; L209-F231 HydrophobicContact CD1-CD2 3.77Å; L209-F231 HydrophobicContact CD1-CE2 3.65Å; L209-F231 HydrophobicContact CD1-CG 4.28Å; L209-F231 HydrophobicContact CD1-CZ 4.08Å; Y216-F231 HydrophobicContact CD2-CD2 4.41Å; Y216-F231 HydrophobicContact CE1-CB 4.45Å; Y216-F231 HydrophobicContact CE1-CD2 4.06Å; Y216-F231 AromaticContact CE2-CD2 3.87Å; Y216-F231 HydrophobicContact CE2-CD2 3.87Å; Y216-F231 HydrophobicContact CE2-CE2 4.21Å; Y216-F231 AromaticContact CZ-CD2 3.68Å; Y216-F231 PolarHBondContact OH-N 2.9Å; P229-F231 HydrophobicContact CB-CD1 4.28Å; P229-F231 HydrophobicContact CB-CE1 3.79Å; P229-F231 HydrophobicContact CB-CE2 4.41Å; P229-F231 HydrophobicContact CB-CZ 3.87Å; P229-F231 HydrophobicContact CG-CE1 4.38Å; P229-F231 HydrophobicContact CG-CZ 4.12Å; P229-F231 PolarHBondContact O-N 3.2Å; F231-V247 HydrophobicContact CD1-CG1 3.55Å; F231-V247 HydrophobicContact CE1-CG1 3.97Å; F231-M249 HydrophobicContact CD1-CB 4.23Å; F231-I411 HydrophobicContact CE2-CD1 4.04Å; F231-I411 HydrophobicContact CZ-CD1 4.07Å; F231-I411 HydrophobicContact CZ-CG1 4.1Å; F231-L412 HydrophobicContact CZ-CD2 4.12Å
232	F	97.2	Very high	91.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-16.2	-173.4	-51	-47.7	0	0	0	113.9	R156 F159 I161 Y166 F196 K230 V248 N250	R156-F232 HydrophobicContact CG-CB 3.83Å; R156-F232 HydrophobicContact CG-CD1 4.06Å; R156-F232 HydrophobicContact CG-CG 4.29Å; R156-F232 PolarHBondContact NE-O 3.29Å; F159-F232 HydrophobicContact CB-CE1 4.11Å; F159-F232 HydrophobicContact CD2-CD1 4.09Å; F159-F232 AromaticContact CD2-CE1 3.54Å; F159-F232 HydrophobicContact CD2-CE1 3.54Å; F159-F232 HydrophobicContact CE2-CE1 4.27Å; F159-F232 HydrophobicContact CG-CE1 4.12Å; I161-F232 HydrophobicContact CD1-CD1 3.56Å; I161-F232 HydrophobicContact CD1-CD2 4.25Å; I161-F232 HydrophobicContact CD1-CE1 3.14Å; I161-F232 HydrophobicContact CD1-CE2 3.88Å; I161-F232 HydrophobicContact CD1-CG 4.1Å; I161-F232 HydrophobicContact CD1-CZ 3.31Å; Y166-F232 HydrophobicContact CE2-CB 3.6Å; Y166-F232 HydrophobicContact CE2-CG 4.4Å; Y166-F232 PolarHBondContact OH-O 2.99Å; F196-F232 AromaticContact CD1-CD2 3.5Å; F196-F232 HydrophobicContact CD1-CD2 3.5Å; F196-F232 AromaticContact CD1-CE2 3.54Å; F196-F232 HydrophobicContact CD1-CE2 3.54Å; F196-F232 AromaticContact CE1-CD2 3.59Å; F196-F232 HydrophobicContact CE1-CD2 3.59Å; F196-F232 AromaticContact CE1-CE2 3.51Å; F196-F232 HydrophobicContact CE1-CE2 3.51Å; F196-F232 HydrophobicContact CE1-CG 4.44Å; F196-F232 HydrophobicContact CE1-CZ 4.33Å; K230-F232 HydrophobicContact CB-CE1 3.61Å; K230-F232 HydrophobicContact CB-CZ 3.58Å; F232-V248 HydrophobicContact CB-CG1 4.35Å; F232-V248 HydrophobicContact CD2-CG1 4.4Å; F232-V248 PolarHBondContact N-O 3.38Å; F232-N250 HydrophobicContact CE2-CB 3.81Å; F232-N250 HydrophobicContact CZ-CB 3.81Å
233	G	97.9	Very high	92	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	148.6	171.8	0	0	0	0	0	113.1	V247 V248	G233-V247 WeakPolarHBondContact O-CA 3.2Å; G233-V248 PolarHBondContact N-O 2.82Å; G233-V248 PolarHBondContact O-N 3.03Å
234	L	98.6	Very high	92.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.9	169.2	169.3	63.9	0	0	0	108.6	Y147 F152 A206 L209 V247	Y147-L234 HydrophobicContact CD1-CD2 4.27Å; Y147-L234 HydrophobicContact CD2-CD2 4.31Å; Y147-L234 HydrophobicContact CD2-CG 3.86Å; Y147-L234 WeakPolarHBondContact CD2-O 3.35Å; Y147-L234 HydrophobicContact CG-CD2 3.88Å; Y147-L234 HydrophobicContact CG-CG 3.89Å; Y147-L234 PolarHBondContact N-O 2.77Å; F152-L234 HydrophobicContact CE2-CB 3.75Å; F152-L234 HydrophobicContact CZ-CB 3.77Å; A206-L234 HydrophobicContact CB-CD1 4.05Å; L209-L234 HydrophobicContact CB-CD2 4.48Å; L209-L234 HydrophobicContact CD2-CB 4.31Å; L209-L234 HydrophobicContact CD2-CD1 4.41Å; L209-L234 HydrophobicContact CD2-CD2 4.21Å; L209-L234 HydrophobicContact CG-CD2 4.35Å; L234-V247 HydrophobicContact CD1-CG2 3.73Å
235	Y	98.4	Very high	93.1	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.016	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	160.5	-173.7	-47.3	-84.8	0	0	0	112	I98 F144 K145 T146 Y166 R245 V246 V248	I98-Y235 HydrophobicContact CD1-CD2 4.09Å; I98-Y235 HydrophobicContact CD1-CE2 3.71Å; I98-Y235 HydrophobicContact CG1-CD1 4.38Å; I98-Y235 HydrophobicContact CG1-CD2 4.25Å; I98-Y235 HydrophobicContact CG1-CE1 4.05Å; I98-Y235 HydrophobicContact CG1-CE2 3.91Å; I98-Y235 HydrophobicContact CG1-CG 4.47Å; F144-Y235 AromaticContact CE1-CD1 3.54Å; F144-Y235 HydrophobicContact CE1-CD1 3.54Å; F144-Y235 HydrophobicContact CE1-CE1 4.24Å; F144-Y235 HydrophobicContact CE1-CG 4.15Å; F144-Y235 AromaticContact CZ-CD1 3.59Å; F144-Y235 HydrophobicContact CZ-CD1 3.59Å; F144-Y235 HydrophobicContact CZ-CE1 4.4Å; F144-Y235 AromaticContact CZ-CG 3.73Å; F144-Y235 HydrophobicContact CZ-CG 3.73Å; K145-Y235 CarbonylContact O-C 3.54Å; K145-Y235 VanDerWaalsContact O-CA 3.24Å; K145-Y235 WeakPolarHBondContact O-CA 3.48Å; T146-Y235 HydrophobicContact CG2-CD1 3.94Å; T146-Y235 HydrophobicContact CG2-CE1 3.76Å; Y166-Y235 PolarHBondContact OH-OH 2.96Å; Y166-Y235 VanDerWaalsContact OH-OH 3.05Å; Y235-R245 CarbonylContact O-C 3.58Å; Y235-R245 WeakPolarHBondContact O-CA 3.28Å; Y235-V246 HydrophobicContact CD2-CG2 4.32Å; Y235-V246 PolarHBondContact N-O 3.2Å; Y235-V246 PolarHBondContact O-N 3.05Å; Y235-V248 HydrophobicContact CD2-CG2 4.15Å; Y235-V248 HydrophobicContact CE2-CB 4.49Å; Y235-V248 HydrophobicContact CE2-CG2 3.73Å
236	C	97.9	Very high	93.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	124.9	168.9	-171.6	0	0	0	0	111.3	K145 Y147 I244 R245	K145-C236 HydrophobicContact CB-CB 4.2Å; K145-C236 PolarHBondContact N-O 2.85Å; K145-C236 PolarHBondContact O-N 3.48Å; Y147-C236 HydrophobicContact CE2-CB 3.87Å; C236-I244 CarbonylContact C-O 3.57Å; C236-I244 WeakPolarHBondContact CA-O 3.18Å; C236-R245 HydrophobicContact CB-CG 3.87Å; C236-R245 VanDerWaalsContact SG-CG 3.57Å
237	V	97.3	Very high	94.2	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	124.5	164.2	-177.3	0	0	0	0	107.8	L90 A93 I94 F142 F144 I244	L90-V237 HydrophobicContact CD1-CB 4.22Å; L90-V237 HydrophobicContact CD1-CG1 4.47Å; L90-V237 HydrophobicContact CD1-CG2 4.1Å; A93-V237 HydrophobicContact CB-CG1 3.77Å; A93-V237 HydrophobicContact CB-CG2 4.16Å; I94-V237 HydrophobicContact CG1-CG2 3.98Å; F142-V237 HydrophobicContact CB-CG1 4.29Å; F142-V237 HydrophobicContact CD2-CG1 4.23Å; F144-V237 HydrophobicContact CD2-CG2 3.99Å; F144-V237 HydrophobicContact CE2-CG2 3.99Å; V237-I244 PolarHBondContact N-O 3.16Å; V237-I244 PolarHBondContact O-N 3.36Å
238	Q	95.1	Very high	94.4	Very high	60 Å²	60	19.4 Å²	19.4	28%	0.28	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	109	174.6	179	179.1	-3.6	0	0	108.5	F142 R143 K145 K242 N243	F142-Q238 CarbonylContact C-O 3.58Å; F142-Q238 WeakPolarHBondContact CA-O 3.15Å; R143-Q238 HydrophobicContact CB-CB 4.25Å; R143-Q238 PolarHBondContact N-O 2.96Å; R143-Q238 PolarHBondContact O-N 3.29Å; K145-Q238 VanDerWaalsContact CE-OE1 3.25Å; Q238-K242 WeakPolarHBondContact CA-O 3.31Å; Q238-N243 WeakPolarHBondContact CB-OD1 3.22Å; Q238-N243 WeakPolarHBondContact CG-OD1 2.97Å
239	S	88.7	Confident	94.3	Very high	21 Å²	21	20.4 Å²	20.4	15%	0.147	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	153.2	176.9	-171.9	0	0	0	0	110	D141 G241 K242	D141-S239 PolarHBondContact O-OG 2.94Å; S239-G241 PolarHBondContact O-N 3.3Å; S239-K242 PolarHBondContact N-O 3.33Å; S239-K242 PolarHBondContact O-N 2.86Å; S239-K242 VanDerWaalsContact O-O 3.11Å
240	G	82.1	Confident	94.1	Very high	77 Å²	77	20.2 Å²	20.2	79%	0.794	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	26.2	-178.4	0	0	0	0	0	115	K242	G240-K242 VanDerWaalsContact C-N 3.25Å; G240-K242 PolarHBondContact O-N 3.1Å
241	G	83.1	Confident	93.9	Very high	67 Å²	67	20.4 Å²	20.4	69%	0.691	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	74	0.7	-175.6	0	0	0	0	0	115.9	S239	S239-G241 PolarHBondContact O-N 3.3Å
242	K	88.9	Confident	93.5	Very high	72 Å²	72	20.5 Å²	20.5	31%	0.313	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	154.5	175.8	-71.4	-59.8	-168.2	-175.4	0	111.7	K83 Q238 S239 G240 D683	K83-K242 HydrophobicContact CB-CB 4.43Å; Q238-K242 WeakPolarHBondContact CA-O 3.31Å; S239-K242 PolarHBondContact N-O 3.33Å; S239-K242 PolarHBondContact O-N 2.86Å; S239-K242 VanDerWaalsContact O-O 3.11Å; G240-K242 VanDerWaalsContact C-N 3.25Å; G240-K242 PolarHBondContact O-N 3.1Å; K242-D683 VanDerWaalsContact NZ-CG 3.26Å; K242-D683 IonicContact NZ-OD1 2.63Å; K242-D683 PolarHBondContact NZ-OD1 2.63Å; K242-D683 IonicContact NZ-OD2 3.03Å; K242-D683 PolarHBondContact NZ-OD2 3.3Å
243	N	93.4	Very high	93	Very high	50 Å²	50	21.2 Å²	21.2	27%	0.267	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.6	-175.5	-70.3	-73.3	0	0	0	110.6	K83 Q238	K83-N243 PolarHBondContact NZ-O 2.91Å; K83-N243 VanDerWaalsContact NZ-O 3.08Å; Q238-N243 WeakPolarHBondContact CB-OD1 3.22Å; Q238-N243 WeakPolarHBondContact CG-OD1 2.97Å
244	I	94.6	Very high	92	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	109.3	177.5	-60.8	164.6	0	0	0	107.2	Y82 K83 T85 L90 T200 C236 V237 V246	Y82-I244 HydrophobicContact CD1-CD1 4.12Å; Y82-I244 HydrophobicContact CD1-CG1 4.11Å; Y82-I244 HydrophobicContact CD1-CG2 4.15Å; Y82-I244 HydrophobicContact CE1-CG1 4.23Å; Y82-I244 HydrophobicContact CE1-CG2 4.04Å; K83-I244 HydrophobicContact CB-CD1 4.37Å; K83-I244 HydrophobicContact CB-CG1 4.26Å; K83-I244 HydrophobicContact CD-CG1 4.07Å; K83-I244 HydrophobicContact CG-CG1 4.49Å; T85-I244 WeakPolarHBondContact OG1-CD1 3.28Å; L90-I244 HydrophobicContact CD1-CB 4.23Å; L90-I244 HydrophobicContact CD1-CD1 4.01Å; L90-I244 HydrophobicContact CD1-CG2 3.75Å; L90-I244 HydrophobicContact CD2-CD1 4.2Å; L90-I244 HydrophobicContact CD2-CG2 3.95Å; T200-I244 HydrophobicContact CG2-CG2 4.23Å; C236-I244 CarbonylContact C-O 3.57Å; C236-I244 WeakPolarHBondContact CA-O 3.18Å; V237-I244 PolarHBondContact N-O 3.16Å; V237-I244 PolarHBondContact O-N 3.36Å; I244-V246 HydrophobicContact CG2-CG1 4.5Å
245	R	96.3	Very high	91.1	Very high	21 Å²	21	25.1 Å²	25.1	8%	0.079	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	138.6	-179.2	-64.2	-178.9	-177.1	84	-8.5	109.4	T200 V201 H203 A206 Y235 C236	T200-R245 CarbonylContact C-O 3.59Å; T200-R245 VanDerWaalsContact CA-O 3.28Å; T200-R245 WeakPolarHBondContact CA-O 3.34Å; V201-R245 HydrophobicContact CG2-CB 3.82Å; V201-R245 PolarHBondContact N-O 3.35Å; H203-R245 PolarHBondContact CD2-NH2 3.08Å; H203-R245 PolarHBondContact CE1-NH2 3.17Å; H203-R245 VanDerWaalsContact CE1-NH2 3.3Å; H203-R245 PolarHBondContact ND1-NH2 2.89Å; H203-R245 PolarHBondContact NE2-NH2 3.5Å; A206-R245 HydrophobicContact CB-CB 4.3Å; A206-R245 VanDerWaalsContact CB-CD 3.4Å; A206-R245 HydrophobicContact CB-CG 4.43Å; Y235-R245 CarbonylContact O-C 3.58Å; Y235-R245 WeakPolarHBondContact O-CA 3.28Å; C236-R245 HydrophobicContact CB-CG 3.87Å; C236-R245 VanDerWaalsContact SG-CG 3.57Å
246	V	96.9	Very high	90.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.2	-178.6	-66.2	0	0	0	0	111.2	I94 I198 K199 T200 Y235 I244	I94-V246 HydrophobicContact CD1-CG1 4.03Å; I94-V246 HydrophobicContact CD1-CG2 4.41Å; I94-V246 HydrophobicContact CG1-CG2 4.36Å; I198-V246 HydrophobicContact CG2-CB 3.73Å; I198-V246 HydrophobicContact CG2-CG1 4.12Å; I198-V246 HydrophobicContact CG2-CG2 4.23Å; K199-V246 WeakPolarHBondContact O-CA 3.14Å; T200-V246 HydrophobicContact CG2-CG1 4.02Å; Y235-V246 HydrophobicContact CD2-CG2 4.32Å; Y235-V246 PolarHBondContact N-O 3.2Å; Y235-V246 PolarHBondContact O-N 3.05Å; I244-V246 HydrophobicContact CG2-CG1 4.5Å
247	V	97.6	Very high	89.4	Confident	3 Å²	3	27.7 Å²	27.7	2%	0.018	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.7	171.6	174.9	0	0	0	0	108	I198 K199 V201 L209 F231 G233 L234	I198-V247 CarbonylContact C-O 3.55Å; I198-V247 WeakPolarHBondContact CA-O 3.37Å; K199-V247 PolarHBondContact N-O 3.15Å; K199-V247 PolarHBondContact O-N 3.23Å; V201-V247 HydrophobicContact CG1-CB 4.39Å; V201-V247 HydrophobicContact CG1-CG2 3.85Å; V201-V247 HydrophobicContact CG2-CG2 3.93Å; L209-V247 HydrophobicContact CD2-CG1 4.15Å; L209-V247 HydrophobicContact CD2-CG2 3.59Å; F231-V247 HydrophobicContact CD1-CG1 3.55Å; F231-V247 HydrophobicContact CE1-CG1 3.97Å; G233-V247 WeakPolarHBondContact O-CA 3.2Å; L234-V247 HydrophobicContact CD1-CG2 3.73Å
248	V	97.6	Very high	88.9	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	129.1	170.1	-174.6	0	0	0	0	108.3	I98 Y166 L170 F196 I197 I198 F232 G233 Y235	I98-V248 HydrophobicContact CD1-CG2 4.14Å; Y166-V248 HydrophobicContact CE2-CG1 4.01Å; L170-V248 HydrophobicContact CD1-CG1 4.14Å; L170-V248 HydrophobicContact CD2-CG1 4.25Å; F196-V248 HydrophobicContact CB-CG1 4.32Å; F196-V248 HydrophobicContact CD1-CG1 4.45Å; I197-V248 WeakPolarHBondContact O-CA 3.19Å; I198-V248 HydrophobicContact CD1-CG2 4.49Å; I198-V248 HydrophobicContact CG1-CG2 4.18Å; I198-V248 HydrophobicContact CG2-CG2 4.24Å; F232-V248 HydrophobicContact CB-CG1 4.35Å; F232-V248 HydrophobicContact CD2-CG1 4.4Å; F232-V248 PolarHBondContact N-O 3.38Å; G233-V248 PolarHBondContact N-O 2.82Å; G233-V248 PolarHBondContact O-N 3.03Å; Y235-V248 HydrophobicContact CD2-CG2 4.15Å; Y235-V248 HydrophobicContact CE2-CB 4.49Å; Y235-V248 HydrophobicContact CE2-CG2 3.73Å
249	M	94.6	Very high	88.7	Confident	26 Å²	26	31.1 Å²	31.1	13%	0.128	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	165.8	-174.1	53.6	174.8	-80	0	0	112	I197 P229 K230 F231	I197-M249 HydrophobicContact CB-CG 4.31Å; I197-M249 PolarHBondContact N-O 3.34Å; I197-M249 WeakPolarHBondContact O-CG 3.28Å; I197-M249 PolarHBondContact O-N 3.44Å; P229-M249 HydrophobicContact CB-CE 4.27Å; K230-M249 WeakPolarHBondContact O-CA 3.34Å; K230-M249 WeakPolarHBondContact O-CB 3.44Å; F231-M249 HydrophobicContact CD1-CB 4.23Å
250	N	90.2	Very high	88.9	Confident	2 Å²	2	32 Å²	32	1%	0.011	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	146.1	178.9	69.4	-48.2	0	0	0	113.1	K230 F232 V252 Y366	K230-N250 HydrophobicContact CB-CB 4.01Å; K230-N250 WeakPolarHBondContact CB-OD1 3.49Å; K230-N250 HydrophobicContact CD-CB 4.31Å; K230-N250 HydrophobicContact CG-CB 4.4Å; K230-N250 PolarHBondContact N-OD1 2.9Å; K230-N250 PolarHBondContact O-N 3.15Å; K230-N250 VanDerWaalsContact O-N 3.14Å; F232-N250 HydrophobicContact CE2-CB 3.81Å; F232-N250 HydrophobicContact CZ-CB 3.81Å; N250-V252 PolarHBondContact O-N 3.48Å; N250-Y366 PolarHBondContact ND2-O 3.11Å
251	N	89.1	Confident	89.5	Confident	17 Å²	17	31 Å²	31	9%	0.091	16%	0.163	C	C	.	.			trans	-75.1	119.5	162.7	-171.9	2.7	0	0	0	110.4	D194 E195 I197 L253	D194-N251 VanDerWaalsContact CG-ND2 3.34Å; D194-N251 WeakPolarHBondContact O-CB 3.44Å; D194-N251 PolarHBondContact O-ND2 3.22Å; D194-N251 PolarHBondContact OD2-ND2 3.3Å; E195-N251 WeakPolarHBondContact O-CB 3.29Å; E195-N251 PolarHBondContact O-N 3.03Å; I197-N251 HydrophobicContact CD1-CB 4.06Å; I197-N251 HydrophobicContact CG1-CB 4.01Å; N251-L253 PolarHBondContact ND2-O 3.27Å; N251-L253 PolarHBondContact OD1-N 3.3Å; N251-L253 PolarHBondContact OD1-O 2.88Å
252	V	87.1	Confident	90	Very high	7 Å²	7	28.3 Å²	28.3	4%	0.042	13%	0.132	C	C	.	.	S	Bend	trans	-74.4	-36.7	175.9	-179.2	0	0	0	0	110.9	N250 P254 L331 S367 I409	N250-V252 PolarHBondContact O-N 3.48Å; V252-P254 VanDerWaalsContact O-CD 3.29Å; V252-P254 WeakPolarHBondContact O-CD 3.48Å; V252-L331 HydrophobicContact CB-CD2 4.01Å; V252-L331 HydrophobicContact CG1-CD2 4.17Å; V252-L331 HydrophobicContact CG1-CG 4.27Å; V252-S367 PolarHBondContact O-OG 3.06Å; V252-I409 HydrophobicContact CG2-CG2 4.45Å
253	L	87.6	Confident	90.3	Very high	15 Å²	15	24.9 Å²	24.9	8%	0.079	12%	0.117	C	C	.	.	S	Bend	trans	-117.8	83.9	-175.3	-62.2	-162	0	0	0	111.6	N251 M259 K262 L331 F695	N251-L253 PolarHBondContact ND2-O 3.27Å; N251-L253 PolarHBondContact OD1-N 3.3Å; N251-L253 PolarHBondContact OD1-O 2.88Å; L253-M259 HydrophobicContact CB-CE 4.32Å; L253-M259 HydrophobicContact CB-CG 4.34Å; L253-M259 HydrophobicContact CD1-CG 4.31Å; L253-M259 HydrophobicContact CD2-CE 4.21Å; L253-M259 HydrophobicContact CD2-SD 4.33Å; L253-K262 HydrophobicContact CD1-CD 3.9Å; L253-K262 HydrophobicContact CD1-CG 3.82Å; L253-L331 HydrophobicContact CD1-CD1 3.9Å; L253-L331 HydrophobicContact CD1-CG 4.32Å; L253-L331 HydrophobicContact CG-CD1 4.35Å; L253-L331 HydrophobicContact CG-CD2 4.16Å; L253-L331 HydrophobicContact CG-CG 4.21Å; L253-F695 HydrophobicContact CD1-CD1 4.28Å; L253-F695 HydrophobicContact CD1-CE1 3.71Å; L253-F695 HydrophobicContact CG-CE1 4.4Å
254	P	78	Confident	90.4	Very high	10 Å²	10	22.6 Å²	22.6	7%	0.065	11%	0.105	C	C	.	.			trans	-74.6	134.8	-176.2	31.9	-37.4	0	0	0	112.6	D194 V252 V256 V257 A364	D194-P254 WeakPolarHBondContact OD2-CA 3.22Å; V252-P254 VanDerWaalsContact O-CD 3.29Å; V252-P254 WeakPolarHBondContact O-CD 3.48Å; P254-V256 HydrophobicContact CB-CG1 4.21Å; P254-V256 PolarHBondContact O-N 2.64Å; P254-V257 PolarHBondContact O-N 3.01Å; P254-V257 VanDerWaalsContact O-O 3.09Å; P254-A364 HydrophobicContact CB-CB 4.33Å; P254-A364 HydrophobicContact CG-CB 3.74Å
255	R	78.8	Confident	90.4	Very high	72 Å²	72	22.5 Å²	22.5	27%	0.272	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-30.2	-179.4	-66.8	170.2	-170.4	-106.9	17.3	114.3	D194 V257 P696 E698	D194-R255 WeakPolarHBondContact OD1-CD 3.47Å; D194-R255 VanDerWaalsContact OD1-CG 3.27Å; D194-R255 WeakPolarHBondContact OD1-CG 3.28Å; D194-R255 IonicContact OD1-NE 3.06Å; D194-R255 PolarHBondContact OD1-NE 2.83Å; D194-R255 WeakPolarHBondContact OD2-CG 3.37Å; D194-R255 PolarHBondContact OD2-N 3.06Å; R255-V257 CarbonylContact O-C 3.52Å; R255-V257 PolarHBondContact O-N 2.91Å; R255-P696 VanDerWaalsContact CZ-CB 3.5Å; R255-E698 WeakPolarHBondContact CD-OE1 3.5Å; R255-E698 WeakPolarHBondContact CG-OE1 3.5Å; R255-E698 IonicContact CZ-OE1 3.48Å; R255-E698 IonicContact NE-OE1 2.68Å; R255-E698 IonicContact NH1-OE1 3.65Å; R255-E698 PolarHBondContact NH1-OE1 3.47Å
256	V	78.3	Confident	90.3	Very high	56 Å²	56	22 Å²	22	34%	0.339	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-22.9	176.2	75	0	0	0	0	111	P254 Q362 M389	P254-V256 HydrophobicContact CB-CG1 4.21Å; P254-V256 PolarHBondContact O-N 2.64Å; V256-Q362 HydrophobicContact CG2-CB 4.03Å; V256-M389 HydrophobicContact CG1-CE 4.11Å; V256-M389 HydrophobicContact CG2-CE 4Å
257	V	82.8	Confident	90	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.018	11%	0.108	C	C	.	.	S	Bend	trans	-106.2	119.8	168.9	-175.3	0	0	0	0	110.6	P254 R255 M259 H335 M389 Y405	P254-V257 PolarHBondContact O-N 3.01Å; P254-V257 VanDerWaalsContact O-O 3.09Å; R255-V257 CarbonylContact O-C 3.52Å; R255-V257 PolarHBondContact O-N 2.91Å; V257-M259 HydrophobicContact CB-CE 3.79Å; V257-M259 HydrophobicContact CG1-CE 3.88Å; V257-M259 HydrophobicContact CG1-SD 4.42Å; V257-M259 PolarHBondContact O-N 3.48Å; V257-H335 HydrophobicContact CG1-CB 3.65Å; V257-M389 HydrophobicContact CG2-CB 4.05Å; V257-M389 HydrophobicContact CG2-CE 3.75Å; V257-M389 HydrophobicContact CG2-SD 3.98Å; V257-Y405 HydrophobicContact CB-CE2 4.4Å; V257-Y405 HydrophobicContact CG1-CD2 4.48Å; V257-Y405 HydrophobicContact CG1-CE2 3.71Å; V257-Y405 HydrophobicContact CG2-CE1 4.46Å; V257-Y405 HydrophobicContact CG2-CE2 4.42Å
258	R	87.3	Confident	89.6	Confident	113 Å²	113	24 Å²	24	43%	0.426	12%	0.119	S	C	.	.			trans	-66.6	99.5	176.3	-176.6	174.4	174.9	113	-10.8	110.7	H260 H335 E343	R258-H260 PolarHBondContact O-CE1 3.45Å; R258-H260 PolarHBondContact O-N 2.94Å; R258-H260 PolarHBondContact O-ND1 2.88Å; R258-H335 PolarHBondContact O-ND1 2.73Å; R258-E343 IonicContact CZ-OE2 3.15Å; R258-E343 IonicContact NE-OE2 2.74Å; R258-E343 PolarHBondContact NE-OE2 3.06Å; R258-E343 IonicContact NH2-OE1 3.3Å; R258-E343 IonicContact NH2-OE2 2.63Å; R258-E343 PolarHBondContact NH2-OE2 2.92Å
259	M	90.8	Very high	89	Confident	20 Å²	20	28.3 Å²	28.3	10%	0.099	15%	0.145	C	C	.	.			trans	-73.1	120.5	172.4	-56.9	-57.6	162.9	0	0	110.1	L253 V257 K262 Y405	L253-M259 HydrophobicContact CB-CE 4.32Å; L253-M259 HydrophobicContact CB-CG 4.34Å; L253-M259 HydrophobicContact CD1-CG 4.31Å; L253-M259 HydrophobicContact CD2-CE 4.21Å; L253-M259 HydrophobicContact CD2-SD 4.33Å; V257-M259 HydrophobicContact CB-CE 3.79Å; V257-M259 HydrophobicContact CG1-CE 3.88Å; V257-M259 HydrophobicContact CG1-SD 4.42Å; V257-M259 PolarHBondContact O-N 3.48Å; M259-K262 HydrophobicContact CB-CG 4.19Å; M259-Y405 HydrophobicContact CE-CD1 4.39Å; M259-Y405 HydrophobicContact CE-CD2 3.55Å; M259-Y405 HydrophobicContact CE-CE2 4.1Å; M259-Y405 HydrophobicContact CE-CG 3.73Å; M259-Y405 HydrophobicContact SD-CD2 3.97Å
260	H	92.1	Very high	88.4	Confident	38 Å²	38	35.5 Å²	35.5	18%	0.176	17%	0.172	C	C	.	.	S	Bend	trans	-92.7	-36.6	-178.6	-61.1	76.8	0	0	0	111.4	R258 V334 H335 N336 E343	R258-H260 PolarHBondContact O-CE1 3.45Å; R258-H260 PolarHBondContact O-N 2.94Å; R258-H260 PolarHBondContact O-ND1 2.88Å; H260-V334 PolarHBondContact N-O 3.13Å; H260-H335 AromaticContact CE1-CE1 3.82Å; H260-H335 AromaticContact CE1-ND1 3.52Å; H260-H335 AromaticContact ND1-ND1 3.76Å; H260-N336 PolarHBondContact CE1-O 3.33Å; H260-N336 PolarHBondContact ND1-N 2.85Å; H260-E343 IonicContact NE2-OE2 2.73Å
261	L	93.7	Very high	88.1	Confident	57 Å²	57	43 Å²	43	30%	0.298	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150.3	170.6	-55.4	168.9	0	0	0	109.8	Y263 F286 V334	L261-Y263 HydrophobicContact CB-CD2 4.44Å; L261-Y263 HydrophobicContact CB-CE2 3.72Å; L261-Y263 HydrophobicContact CD1-CE2 4.18Å; L261-Y263 HydrophobicContact CG-CE2 4.49Å; L261-F286 HydrophobicContact CD2-CE2 4.23Å; L261-V334 HydrophobicContact CB-CB 4.09Å; L261-V334 HydrophobicContact CB-CG2 4.27Å; L261-V334 PolarHBondContact N-O 3.49Å; L261-V334 PolarHBondContact O-N 2.96Å
262	K	94.4	Very high	88	Confident	10 Å²	10	43 Å²	43	4%	0.043	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	131.9	175.3	-65.4	179.8	-70.9	120.5	0	109.8	L253 M259 K283 P284 T285 F286 L332 F695	L253-K262 HydrophobicContact CD1-CD 3.9Å; L253-K262 HydrophobicContact CD1-CG 3.82Å; M259-K262 HydrophobicContact CB-CG 4.19Å; K262-K283 VanDerWaalsContact CE-O 3.32Å; K262-K283 WeakPolarHBondContact CE-O 3.29Å; K262-K283 PolarHBondContact NZ-O 2.78Å; K262-P284 WeakPolarHBondContact CE-O 3.11Å; K262-P284 PolarHBondContact NZ-O 2.82Å; K262-T285 PolarHBondContact NZ-OG1 2.91Å; K262-T285 VanDerWaalsContact NZ-OG1 3.16Å; K262-F286 PolarHBondContact O-N 2.71Å; K262-L332 CarbonylContact C-O 3.58Å; K262-L332 WeakPolarHBondContact CA-O 3.23Å; K262-F695 HydrophobicContact CD-CD1 3.73Å; K262-F695 HydrophobicContact CD-CD2 4.33Å; K262-F695 HydrophobicContact CD-CE1 3.99Å; K262-F695 HydrophobicContact CD-CG 3.91Å; K262-F695 HydrophobicContact CD-CZ 4.39Å; K262-F695 VanDerWaalsContact NZ-CG 3.29Å
263	Y	95.6	Very high	88.3	Confident	1 Å²	1	47.4 Å²	47.4	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	133.1	178.8	-62.2	-88.6	0	0	0	111.3	L261 F286 F291 D294 L332	L261-Y263 HydrophobicContact CB-CD2 4.44Å; L261-Y263 HydrophobicContact CB-CE2 3.72Å; L261-Y263 HydrophobicContact CD1-CE2 4.18Å; L261-Y263 HydrophobicContact CG-CE2 4.49Å; Y263-F286 WeakPolarHBondContact CA-O 3.38Å; Y263-F286 HydrophobicContact CD1-CB 3.29Å; Y263-F286 HydrophobicContact CD1-CG 4.4Å; Y263-F286 HydrophobicContact CE1-CB 3.29Å; Y263-F286 HydrophobicContact CE1-CD2 4.08Å; Y263-F286 AromaticContact CE1-CG 3.99Å; Y263-F286 HydrophobicContact CE1-CG 3.99Å; Y263-F286 HydrophobicContact CG-CB 4.18Å; Y263-F291 HydrophobicContact CD1-CB 3.65Å; Y263-F291 AromaticContact CD1-CD2 3.91Å; Y263-F291 HydrophobicContact CD1-CD2 3.91Å; Y263-F291 HydrophobicContact CD1-CG 4.29Å; Y263-F291 AromaticContact CD2-CD2 3.92Å; Y263-F291 HydrophobicContact CD2-CD2 3.92Å; Y263-F291 HydrophobicContact CE1-CB 3.72Å; Y263-F291 AromaticContact CE1-CD2 3.98Å; Y263-F291 HydrophobicContact CE1-CD2 3.98Å; Y263-F291 HydrophobicContact CE1-CG 4.34Å; Y263-F291 AromaticContact CE2-CD2 3.96Å; Y263-F291 HydrophobicContact CE2-CD2 3.96Å; Y263-F291 HydrophobicContact CG-CB 4.42Å; Y263-F291 AromaticContact CG-CD2 3.92Å; Y263-F291 HydrophobicContact CG-CD2 3.92Å; Y263-D294 PolarHBondContact OH-OD2 2.98Å; Y263-D294 VanDerWaalsContact OH-OD2 3.11Å; Y263-L332 HydrophobicContact CD2-CD2 4.17Å; Y263-L332 PolarHBondContact N-O 3.43Å; Y263-L332 PolarHBondContact O-N 2.52Å
264	D	94.7	Very high	88.4	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.011	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	118.7	160.4	172.1	-83.1	0	0	0	106.7	R272 T285 F286 K287 S329 I693	D264-R272 PolarHBondContact O-NH2 2.89Å; D264-R272 IonicContact OD1-CZ 2.73Å; D264-R272 IonicContact OD1-NH1 3.33Å; D264-R272 PolarHBondContact OD1-NH1 2.86Å; D264-R272 IonicContact OD1-NH2 3.65Å; D264-R272 PolarHBondContact OD1-NH2 3.49Å; D264-T285 HydrophobicContact CB-CG2 4.44Å; D264-F286 PolarHBondContact N-O 3.46Å; D264-K287 WeakPolarHBondContact O-CA 3.24Å; D264-S329 WeakPolarHBondContact OD2-CB 3.24Å; D264-S329 PolarHBondContact OD2-OG 3.09Å; D264-I693 HydrophobicContact CB-CD1 3.86Å; D264-I693 HydrophobicContact CB-CG1 4.33Å; D264-I693 WeakPolarHBondContact OD2-CD1 3.39Å; D264-I693 WeakPolarHBondContact OD2-CG1 3.44Å
265	L	96	Very high	89	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133	-172.1	-60.1	175.5	0	0	0	110.9	D288 F291 S329 L330 L332 F450 M451 V455	L265-D288 HydrophobicContact CD2-CB 4.38Å; L265-F291 HydrophobicContact CD1-CD2 4.38Å; L265-F291 HydrophobicContact CD2-CB 3.94Å; L265-F291 HydrophobicContact CD2-CG 4.36Å; L265-S329 CarbonylContact O-C 3.55Å; L265-S329 VanDerWaalsContact O-CA 3.24Å; L265-S329 WeakPolarHBondContact O-CA 3.46Å; L265-S329 WeakPolarHBondContact O-CB 3.24Å; L265-L330 PolarHBondContact N-O 3.4Å; L265-L330 PolarHBondContact O-N 3.22Å; L265-L332 HydrophobicContact CD1-CB 4.47Å; L265-L332 HydrophobicContact CD1-CD2 4.04Å; L265-F450 HydrophobicContact CB-CE1 4.37Å; L265-F450 HydrophobicContact CD2-CE1 4.28Å; L265-M451 HydrophobicContact CB-CE 3.71Å; L265-M451 HydrophobicContact CB-SD 4.17Å; L265-M451 HydrophobicContact CD1-SD 4.49Å; L265-M451 WeakPolarHBondContact O-CE 3.32Å; L265-V455 HydrophobicContact CD1-CG1 3.84Å; L265-V455 HydrophobicContact CD1-CG2 3.87Å
266	K	94.2	Very high	89.5	Confident	11 Å²	11	54.7 Å²	54.7	5%	0.048	26%	0.261	C	S	.	.			trans	-130.5	-0	-176.4	-66.1	-168	-177.7	-169.4	0	113.8	S268 D288 D327 S329 R446	K266-S268 VanDerWaalsContact C-N 3.3Å; K266-S268 PolarHBondContact O-N 3.45Å; K266-D288 PolarHBondContact N-OD1 3.46Å; K266-D288 PolarHBondContact N-OD2 3.14Å; K266-D327 WeakPolarHBondContact CE-O 3.38Å; K266-D327 PolarHBondContact NZ-O 2.64Å; K266-S329 WeakPolarHBondContact CE-OG 3.33Å; K266-R446 PolarHBondContact O-NH2 2.96Å
267	G	90.7	Very high	89.9	Confident	10 Å²	10	59.7 Å²	59.7	10%	0.103	28%	0.278	C	S	.	.	S	Bend	trans	65.8	31	-176	0	0	0	0	0	113.2	D288 R446 F450	G267-D288 PolarHBondContact N-OD1 3.48Å; G267-R446 WeakPolarHBondContact O-CD 3.12Å; G267-R446 VanDerWaalsContact O-CG 3.28Å; G267-R446 WeakPolarHBondContact O-CG 3.49Å; G267-R446 PolarHBondContact O-NE 2.92Å; G267-F450 VanDerWaalsContact CA-CG 3.47Å
268	S	87.9	Confident	90.1	Very high	34 Å²	34	60.9 Å²	60.9	24%	0.238	28%	0.284	C	S	.	.			trans	-134.1	165.7	179.4	62.3	0	0	0	0	111.1	K266 R272 D288	K266-S268 VanDerWaalsContact C-N 3.3Å; K266-S268 PolarHBondContact O-N 3.45Å; S268-R272 VanDerWaalsContact O-CB 3.29Å; S268-R272 WeakPolarHBondContact O-CB 3.48Å; S268-R272 VanDerWaalsContact O-CG 3.25Å; S268-R272 WeakPolarHBondContact O-CG 3.21Å; S268-R272 WeakPolarHBondContact OG-CG 3.48Å; S268-D288 VanDerWaalsContact O-CB 3.3Å; S268-D288 WeakPolarHBondContact O-CB 3.42Å
269	T	85.1	Confident	90.2	Very high	90 Å²	90	62.2 Å²	62.2	55%	0.552	29%	0.289	S	S	*	.			trans	-114.1	-34.1	-173.5	53.5	0	0	0	0	113.3	K271 R272 L289	T269-K271 PolarHBondContact O-N 3.25Å; T269-R272 PolarHBondContact O-N 2.86Å; T269-R272 VanDerWaalsContact O-N 3.09Å; T269-L289 HydrophobicContact CG2-CD2 3.92Å; T269-L289 WeakPolarHBondContact O-CD1 3.32Å
270	Y	81.6	Confident	90.2	Very high	178 Å²	178	68 Å²	68	70%	0.698	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	118.5	-175	-177.3	-98	0	0	0	112.7	R272	Y270-R272 WeakPolarHBondContact O-CG 3.22Å; Y270-R272 PolarHBondContact O-N 3.1Å; Y270-R272 VanDerWaalsContact O-N 3.13Å
271	K	83.9	Confident	89.9	Confident	160 Å²	160	69.3 Å²	69.3	70%	0.696	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	18.3	-172.5	-64.4	178.6	177.7	171.5	0	114.5	T269 R273	T269-K271 PolarHBondContact O-N 3.25Å; K271-R273 VanDerWaalsContact C-N 3.26Å; K271-R273 PolarHBondContact O-N 2.86Å; K271-R273 VanDerWaalsContact O-N 3.12Å
272	R	88.5	Confident	89.5	Confident	15 Å²	15	71.1 Å²	71.1	6%	0.057	34%	0.344	C	S	.	.			trans	-90.4	52	-179	-61.3	-58.4	-61.3	167.5	3.2	112.8	D264 S268 T269 Y270 K287 D288 L289	D264-R272 PolarHBondContact O-NH2 2.89Å; D264-R272 IonicContact OD1-CZ 2.73Å; D264-R272 IonicContact OD1-NH1 3.33Å; D264-R272 PolarHBondContact OD1-NH1 2.86Å; D264-R272 IonicContact OD1-NH2 3.65Å; D264-R272 PolarHBondContact OD1-NH2 3.49Å; S268-R272 VanDerWaalsContact O-CB 3.29Å; S268-R272 WeakPolarHBondContact O-CB 3.48Å; S268-R272 VanDerWaalsContact O-CG 3.25Å; S268-R272 WeakPolarHBondContact O-CG 3.21Å; S268-R272 WeakPolarHBondContact OG-CG 3.48Å; T269-R272 PolarHBondContact O-N 2.86Å; T269-R272 VanDerWaalsContact O-N 3.09Å; Y270-R272 WeakPolarHBondContact O-CG 3.22Å; Y270-R272 PolarHBondContact O-N 3.1Å; Y270-R272 VanDerWaalsContact O-N 3.13Å; R272-K287 VanDerWaalsContact C-CB 3.42Å; R272-K287 CarbonylContact O-C 3.57Å; R272-K287 VanDerWaalsContact O-CB 3.32Å; R272-K287 WeakPolarHBondContact O-CB 3.5Å; R272-D288 HydrophobicContact CB-CB 4.08Å; R272-D288 IonicContact CZ-OD2 2.74Å; R272-D288 IonicContact NE-OD2 3.26Å; R272-D288 PolarHBondContact NE-OD2 3.02Å; R272-D288 IonicContact NH2-OD2 3.58Å; R272-D288 PolarHBondContact NH2-OD2 2.85Å; R272-D288 PolarHBondContact O-N 3.27Å; R272-L289 VanDerWaalsContact O-CB 3.26Å; R272-L289 WeakPolarHBondContact O-CB 3.34Å; R272-L289 WeakPolarHBondContact O-CG 3.16Å; R272-L289 PolarHBondContact O-N 2.71Å
273	R	92.1	Very high	88.9	Confident	100 Å²	100	74.8 Å²	74.8	38%	0.377	36%	0.359	S	S	.	.	S	Bend	trans	-133.3	146	171.9	-163.6	174.8	-82.9	-83.2	12.9	109.7	K271 L289 D290 Q293	K271-R273 VanDerWaalsContact C-N 3.26Å; K271-R273 PolarHBondContact O-N 2.86Å; K271-R273 VanDerWaalsContact O-N 3.12Å; R273-L289 HydrophobicContact CB-CB 4.29Å; R273-L289 HydrophobicContact CB-CD1 4.41Å; R273-L289 PolarHBondContact NH1-O 3.16Å; R273-L289 PolarHBondContact NH2-O 3.12Å; R273-D290 WeakPolarHBondContact CA-OD2 3.21Å; R273-D290 WeakPolarHBondContact CG-OD1 3.42Å; R273-D290 WeakPolarHBondContact CG-OD2 3.31Å; R273-D290 IonicContact CZ-OD1 2.67Å; R273-D290 IonicContact NH1-OD1 3.75Å; R273-D290 PolarHBondContact NH1-OD1 2.9Å; R273-Q293 VanDerWaalsContact CZ-OE1 3.28Å
274	A	90.4	Very high	88.7	Confident	10 Å²	10	76 Å²	76	8%	0.083	37%	0.368	C	S	.	.			trans	-59.1	137.9	176.1	0	0	0	0	0	111.7	E278 R279 T285 F286 D290	A274-E278 HydrophobicContact CB-CB 4.44Å; A274-E278 HydrophobicContact CB-CG 4.46Å; A274-R279 HydrophobicContact CB-CG 3.59Å; A274-T285 WeakPolarHBondContact CB-O 3.46Å; A274-F286 HydrophobicContact CB-CD1 4.13Å; A274-D290 PolarHBondContact N-OD2 3.12Å
275	S	89.4	Confident	88.5	Confident	65 Å²	65	76.3 Å²	76.3	46%	0.455	37%	0.37	S	S	.	.			trans	-70.9	159.2	175.5	74.7	0	0	0	0	110.7	K277 E278 R279	S275-K277 VanDerWaalsContact C-N 3.32Å; S275-K277 PolarHBondContact O-N 3.46Å; S275-E278 WeakPolarHBondContact O-CB 3.42Å; S275-E278 PolarHBondContact O-N 2.9Å; S275-E278 WeakPolarHBondContact OG-CB 3.3Å; S275-E278 PolarHBondContact OG-N 2.83Å; S275-E278 VanDerWaalsContact OG-N 3.13Å; S275-R279 WeakPolarHBondContact O-CG 3.3Å; S275-R279 PolarHBondContact O-N 2.87Å
276	K	89.4	Confident	88.5	Confident	175 Å²	175	77.6 Å²	77.6	76%	0.761	38%	0.375	S	S	*	.	H	α-helix	trans	-53.7	-50.7	176.6	-64.3	-174.7	177.3	-177.4	0	111.1	E278 R279 E280	K276-E278 VanDerWaalsContact C-N 3.26Å; K276-E278 PolarHBondContact O-N 2.77Å; K276-R279 CarbonylContact O-C 3.58Å; K276-R279 WeakPolarHBondContact O-CA 3.48Å; K276-R279 PolarHBondContact O-N 2.81Å; K276-E280 VanDerWaalsContact C-CD 3.5Å; K276-E280 WeakPolarHBondContact CB-OE1 3.35Å; K276-E280 VanDerWaalsContact O-CD 3.3Å; K276-E280 VanDerWaalsContact O-CG 3.29Å; K276-E280 WeakPolarHBondContact O-CG 3.45Å; K276-E280 PolarHBondContact O-N 3.12Å
277	K	87	Confident	88.5	Confident	162 Å²	162	78.1 Å²	78.1	70%	0.704	38%	0.378	S	S	*	.	H	α-helix	trans	-56.6	-30.1	174.1	-171.6	178.1	179.5	-177.4	0	114.8	S275 E280	S275-K277 VanDerWaalsContact C-N 3.32Å; S275-K277 PolarHBondContact O-N 3.46Å; K277-E280 WeakPolarHBondContact CA-OE2 2.98Å; K277-E280 PolarHBondContact N-OE1 3.47Å
278	E	88	Confident	88.7	Confident	28 Å²	28	77.7 Å²	77.7	13%	0.131	37%	0.373	C	S	.	.	H	α-helix	trans	-76.1	-40.3	174	-171.8	60.4	-152.1	0	0	111.5	A274 S275 K276 E280 K281 P284 T285	A274-E278 HydrophobicContact CB-CB 4.44Å; A274-E278 HydrophobicContact CB-CG 4.46Å; S275-E278 WeakPolarHBondContact O-CB 3.42Å; S275-E278 PolarHBondContact O-N 2.9Å; S275-E278 WeakPolarHBondContact OG-CB 3.3Å; S275-E278 PolarHBondContact OG-N 2.83Å; S275-E278 VanDerWaalsContact OG-N 3.13Å; K276-E278 VanDerWaalsContact C-N 3.26Å; K276-E278 PolarHBondContact O-N 2.77Å; E278-E280 VanDerWaalsContact C-N 3.26Å; E278-E280 PolarHBondContact O-N 2.81Å; E278-K281 VanDerWaalsContact CD-NZ 3.34Å; E278-K281 WeakPolarHBondContact O-CB 3.22Å; E278-K281 PolarHBondContact O-N 2.58Å; E278-K281 IonicContact OE1-NZ 2.73Å; E278-K281 PolarHBondContact OE1-NZ 2.66Å; E278-K281 WeakPolarHBondContact OE2-CE 3.25Å; E278-K281 IonicContact OE2-NZ 2.69Å; E278-K281 PolarHBondContact OE2-NZ 2.77Å; E278-P284 VanDerWaalsContact O-CB 3.25Å; E278-P284 WeakPolarHBondContact O-CB 3.15Å; E278-T285 VanDerWaalsContact CG-O 3.31Å; E278-T285 WeakPolarHBondContact CG-O 3.29Å; E278-T285 WeakPolarHBondContact OE1-CB 3.32Å; E278-T285 PolarHBondContact OE1-N 2.73Å; E278-T285 PolarHBondContact OE1-OG1 2.74Å
279	R	89.7	Confident	89	Confident	141 Å²	141	78.6 Å²	78.6	53%	0.532	38%	0.375	S	S	.	.	H	α-helix	trans	-72.9	-17.1	178.2	-60.5	174.7	93.8	-101.3	2.1	113.2	A274 S275 K276 K281 F286	A274-R279 HydrophobicContact CB-CG 3.59Å; S275-R279 WeakPolarHBondContact O-CG 3.3Å; S275-R279 PolarHBondContact O-N 2.87Å; K276-R279 CarbonylContact O-C 3.58Å; K276-R279 WeakPolarHBondContact O-CA 3.48Å; K276-R279 PolarHBondContact O-N 2.81Å; R279-K281 VanDerWaalsContact C-N 3.32Å; R279-F286 HydrophobicContact CG-CE1 4.34Å
280	E	89.5	Confident	89.4	Confident	141 Å²	141	74.3 Å²	74.3	66%	0.659	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-11.4	172.6	-73.1	152	-147.3	0	0	113.2	K276 K277 E278	K276-E280 VanDerWaalsContact C-CD 3.5Å; K276-E280 WeakPolarHBondContact CB-OE1 3.35Å; K276-E280 VanDerWaalsContact O-CD 3.3Å; K276-E280 VanDerWaalsContact O-CG 3.29Å; K276-E280 WeakPolarHBondContact O-CG 3.45Å; K276-E280 PolarHBondContact O-N 3.12Å; K277-E280 WeakPolarHBondContact CA-OE2 2.98Å; K277-E280 PolarHBondContact N-OE1 3.47Å; E278-E280 VanDerWaalsContact C-N 3.26Å; E278-E280 PolarHBondContact O-N 2.81Å
281	K	85.9	Confident	90.1	Very high	66 Å²	66	66 Å²	66	29%	0.287	32%	0.316	S	S	.	.	S	Bend	trans	-77.5	144.8	175.1	-63.7	175.8	178.2	172.3	0	111.3	E278 R279 K283 P284	E278-K281 VanDerWaalsContact CD-NZ 3.34Å; E278-K281 WeakPolarHBondContact O-CB 3.22Å; E278-K281 PolarHBondContact O-N 2.58Å; E278-K281 IonicContact OE1-NZ 2.73Å; E278-K281 PolarHBondContact OE1-NZ 2.66Å; E278-K281 WeakPolarHBondContact OE2-CE 3.25Å; E278-K281 IonicContact OE2-NZ 2.69Å; E278-K281 PolarHBondContact OE2-NZ 2.77Å; R279-K281 VanDerWaalsContact C-N 3.32Å; K281-K283 PolarHBondContact O-N 2.68Å; K281-P284 WeakPolarHBondContact O-CD 3.2Å
282	A	84.6	Confident	90.6	Very high	94 Å²	94	62.7 Å²	62.7	78%	0.777	30%	0.304	S	S	*	.	S	Bend	trans	-57.9	-31.3	176.2	0	0	0	0	0	114.4
283	K	83.3	Confident	90.8	Very high	87 Å²	87	67.8 Å²	67.8	38%	0.378	33%	0.329	S	S	.	.	S	Bend	trans	-125.4	78.1	173.9	-64.7	-179.6	-177.3	179.2	0	108.9	K262 K281 E698	K262-K283 VanDerWaalsContact CE-O 3.32Å; K262-K283 WeakPolarHBondContact CE-O 3.29Å; K262-K283 PolarHBondContact NZ-O 2.78Å; K281-K283 PolarHBondContact O-N 2.68Å; K283-E698 IonicContact NZ-OE2 3.65Å; K283-E698 PolarHBondContact NZ-OE2 3.33Å
284	P	90.1	Very high	90.8	Very high	28 Å²	28	66.5 Å²	66.5	18%	0.182	33%	0.329	C	S	.	.			trans	-69.9	169.2	-171.2	32.1	-37.2	0	0	0	112.3	K262 E278 K281 F286	K262-P284 WeakPolarHBondContact CE-O 3.11Å; K262-P284 PolarHBondContact NZ-O 2.82Å; E278-P284 VanDerWaalsContact O-CB 3.25Å; E278-P284 WeakPolarHBondContact O-CB 3.15Å; K281-P284 WeakPolarHBondContact O-CD 3.2Å; P284-F286 HydrophobicContact CB-CE1 4.4Å; P284-F286 HydrophobicContact CB-CZ 4.18Å; P284-F286 HydrophobicContact CG-CE1 4.18Å; P284-F286 HydrophobicContact CG-CE2 3.76Å; P284-F286 HydrophobicContact CG-CZ 3.49Å; P284-F286 VanDerWaalsContact CG-CZ 3.49Å
285	T	91.4	Very high	90.9	Very high	8 Å²	8	67.3 Å²	67.3	5%	0.049	33%	0.332	C	S	.	.			trans	-120.9	113.8	174.3	-40.5	0	0	0	0	109.8	K262 D264 A274 E278 F695	K262-T285 PolarHBondContact NZ-OG1 2.91Å; K262-T285 VanDerWaalsContact NZ-OG1 3.16Å; D264-T285 HydrophobicContact CB-CG2 4.44Å; A274-T285 WeakPolarHBondContact CB-O 3.46Å; E278-T285 VanDerWaalsContact CG-O 3.31Å; E278-T285 WeakPolarHBondContact CG-O 3.29Å; E278-T285 WeakPolarHBondContact OE1-CB 3.32Å; E278-T285 PolarHBondContact OE1-N 2.73Å; E278-T285 PolarHBondContact OE1-OG1 2.74Å; T285-F695 HydrophobicContact CG2-CD2 4.25Å; T285-F695 HydrophobicContact CG2-CE2 3.44Å; T285-F695 VanDerWaalsContact CG2-CE2 3.44Å; T285-F695 HydrophobicContact CG2-CZ 4.13Å; T285-F695 WeakPolarHBondContact OG1-CD2 3.36Å; T285-F695 WeakPolarHBondContact OG1-CE2 3.23Å
286	F	95	Very high	91	Very high	27 Å²	27	68.2 Å²	68.2	12%	0.118	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-89	163.5	-177.1	-65	-59.2	0	0	0	111.9	L261 K262 Y263 D264 A274 R279 P284 D290	L261-F286 HydrophobicContact CD2-CE2 4.23Å; K262-F286 PolarHBondContact O-N 2.71Å; Y263-F286 WeakPolarHBondContact CA-O 3.38Å; Y263-F286 HydrophobicContact CD1-CB 3.29Å; Y263-F286 HydrophobicContact CD1-CG 4.4Å; Y263-F286 HydrophobicContact CE1-CB 3.29Å; Y263-F286 HydrophobicContact CE1-CD2 4.08Å; Y263-F286 AromaticContact CE1-CG 3.99Å; Y263-F286 HydrophobicContact CE1-CG 3.99Å; Y263-F286 HydrophobicContact CG-CB 4.18Å; D264-F286 PolarHBondContact N-O 3.46Å; A274-F286 HydrophobicContact CB-CD1 4.13Å; R279-F286 HydrophobicContact CG-CE1 4.34Å; P284-F286 HydrophobicContact CB-CE1 4.4Å; P284-F286 HydrophobicContact CB-CZ 4.18Å; P284-F286 HydrophobicContact CG-CE1 4.18Å; P284-F286 HydrophobicContact CG-CE2 3.76Å; P284-F286 HydrophobicContact CG-CZ 3.49Å; P284-F286 VanDerWaalsContact CG-CZ 3.49Å; F286-D290 HydrophobicContact CB-CB 3.85Å; F286-D290 HydrophobicContact CD1-CB 4.01Å; F286-D290 HydrophobicContact CG-CB 4.22Å
287	K	95.3	Very high	91.1	Very high	22 Å²	22	64.4 Å²	64.4	10%	0.096	32%	0.324	C	S	.	.			trans	-126.9	180	179.5	-65.4	-177.9	179.9	178.4	0	111.2	D264 R272 L289 D290 F291 D692	D264-K287 WeakPolarHBondContact O-CA 3.24Å; R272-K287 VanDerWaalsContact C-CB 3.42Å; R272-K287 CarbonylContact O-C 3.57Å; R272-K287 VanDerWaalsContact O-CB 3.32Å; R272-K287 WeakPolarHBondContact O-CB 3.5Å; K287-L289 VanDerWaalsContact C-N 3.3Å; K287-L289 PolarHBondContact O-N 3.37Å; K287-L289 VanDerWaalsContact O-N 3.15Å; K287-D290 PolarHBondContact N-OD2 3.36Å; K287-D290 VanDerWaalsContact N-OD2 3.12Å; K287-D290 WeakPolarHBondContact O-CA 3.28Å; K287-D290 WeakPolarHBondContact O-CB 3.04Å; K287-D290 PolarHBondContact O-N 2.79Å; K287-F291 PolarHBondContact O-N 2.79Å; K287-D692 WeakPolarHBondContact CE-OD1 3.25Å; K287-D692 IonicContact NZ-OD1 3.07Å; K287-D692 PolarHBondContact NZ-OD1 3.22Å; K287-D692 IonicContact NZ-OD2 2.68Å
288	D	94.6	Very high	91.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-51.8	-41.6	-168.9	-48.9	-116.4	0	0	0	113.9	L265 K266 G267 S268 R272 D290 F291 M292 F450	L265-D288 HydrophobicContact CD2-CB 4.38Å; K266-D288 PolarHBondContact N-OD1 3.46Å; K266-D288 PolarHBondContact N-OD2 3.14Å; G267-D288 PolarHBondContact N-OD1 3.48Å; S268-D288 VanDerWaalsContact O-CB 3.3Å; S268-D288 WeakPolarHBondContact O-CB 3.42Å; R272-D288 HydrophobicContact CB-CB 4.08Å; R272-D288 IonicContact CZ-OD2 2.74Å; R272-D288 IonicContact NE-OD2 3.26Å; R272-D288 PolarHBondContact NE-OD2 3.02Å; R272-D288 IonicContact NH2-OD2 3.58Å; R272-D288 PolarHBondContact NH2-OD2 2.85Å; R272-D288 PolarHBondContact O-N 3.27Å; D288-D290 VanDerWaalsContact C-N 3.33Å; D288-D290 PolarHBondContact O-N 2.86Å; D288-F291 PolarHBondContact O-N 2.9Å; D288-M292 VanDerWaalsContact O-CG 3.3Å; D288-M292 WeakPolarHBondContact O-CG 3.26Å; D288-M292 PolarHBondContact O-N 3.41Å; D288-F450 HydrophobicContact CB-CE1 4.34Å; D288-F450 HydrophobicContact CB-CZ 3.96Å; D288-F450 WeakPolarHBondContact OD1-CE1 3.24Å
289	L	93.4	Very high	91.8	Very high	53 Å²	53	55.4 Å²	55.4	28%	0.277	29%	0.285	S	S	.	.	H	α-helix	trans	-74.2	-20.8	178.8	-63.4	-179.1	0	0	0	114.1	T269 R272 R273 K287	T269-L289 HydrophobicContact CG2-CD2 3.92Å; T269-L289 WeakPolarHBondContact O-CD1 3.32Å; R272-L289 VanDerWaalsContact O-CB 3.26Å; R272-L289 WeakPolarHBondContact O-CB 3.34Å; R272-L289 WeakPolarHBondContact O-CG 3.16Å; R272-L289 PolarHBondContact O-N 2.71Å; R273-L289 HydrophobicContact CB-CB 4.29Å; R273-L289 HydrophobicContact CB-CD1 4.41Å; R273-L289 PolarHBondContact NH1-O 3.16Å; R273-L289 PolarHBondContact NH2-O 3.12Å; K287-L289 VanDerWaalsContact C-N 3.3Å; K287-L289 PolarHBondContact O-N 3.37Å; K287-L289 VanDerWaalsContact O-N 3.15Å
290	D	95.4	Very high	92	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-79	-46.8	169.4	-56.4	-63.9	0	0	0	109.1	R273 A274 F286 K287 D288 M292 Q293 D294	R273-D290 WeakPolarHBondContact CA-OD2 3.21Å; R273-D290 WeakPolarHBondContact CG-OD1 3.42Å; R273-D290 WeakPolarHBondContact CG-OD2 3.31Å; R273-D290 IonicContact CZ-OD1 2.67Å; R273-D290 IonicContact NH1-OD1 3.75Å; R273-D290 PolarHBondContact NH1-OD1 2.9Å; A274-D290 PolarHBondContact N-OD2 3.12Å; F286-D290 HydrophobicContact CB-CB 3.85Å; F286-D290 HydrophobicContact CD1-CB 4.01Å; F286-D290 HydrophobicContact CG-CB 4.22Å; K287-D290 PolarHBondContact N-OD2 3.36Å; K287-D290 VanDerWaalsContact N-OD2 3.12Å; K287-D290 WeakPolarHBondContact O-CA 3.28Å; K287-D290 WeakPolarHBondContact O-CB 3.04Å; K287-D290 PolarHBondContact O-N 2.79Å; D288-D290 VanDerWaalsContact C-N 3.33Å; D288-D290 PolarHBondContact O-N 2.86Å; D290-M292 PolarHBondContact O-N 2.63Å; D290-Q293 CarbonylContact O-C 3.58Å; D290-Q293 WeakPolarHBondContact O-CA 3.45Å; D290-Q293 WeakPolarHBondContact O-CB 3.45Å; D290-Q293 PolarHBondContact O-N 3.3Å; D290-D294 PolarHBondContact O-N 3.27Å
291	F	96.2	Very high	92.2	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.009	24%	0.239	C	C	.	.	H	α-helix	trans	-55	-47.8	176.5	-175.7	-83.3	0	0	0	112.4	Y263 L265 K287 D288 Q293 D294 M295 L299 L332 V455	Y263-F291 HydrophobicContact CD1-CB 3.65Å; Y263-F291 AromaticContact CD1-CD2 3.91Å; Y263-F291 HydrophobicContact CD1-CD2 3.91Å; Y263-F291 HydrophobicContact CD1-CG 4.29Å; Y263-F291 AromaticContact CD2-CD2 3.92Å; Y263-F291 HydrophobicContact CD2-CD2 3.92Å; Y263-F291 HydrophobicContact CE1-CB 3.72Å; Y263-F291 AromaticContact CE1-CD2 3.98Å; Y263-F291 HydrophobicContact CE1-CD2 3.98Å; Y263-F291 HydrophobicContact CE1-CG 4.34Å; Y263-F291 AromaticContact CE2-CD2 3.96Å; Y263-F291 HydrophobicContact CE2-CD2 3.96Å; Y263-F291 HydrophobicContact CG-CB 4.42Å; Y263-F291 AromaticContact CG-CD2 3.92Å; Y263-F291 HydrophobicContact CG-CD2 3.92Å; L265-F291 HydrophobicContact CD1-CD2 4.38Å; L265-F291 HydrophobicContact CD2-CB 3.94Å; L265-F291 HydrophobicContact CD2-CG 4.36Å; K287-F291 PolarHBondContact O-N 2.79Å; D288-F291 PolarHBondContact O-N 2.9Å; F291-Q293 PolarHBondContact O-N 3.46Å; F291-Q293 VanDerWaalsContact O-N 3.15Å; F291-D294 PolarHBondContact O-N 3.43Å; F291-M295 HydrophobicContact CD2-CB 4.38Å; F291-M295 HydrophobicContact CE1-CB 4.15Å; F291-M295 HydrophobicContact CE2-CB 4.04Å; F291-M295 HydrophobicContact CE2-CG 4.32Å; F291-M295 HydrophobicContact CZ-CB 3.9Å; F291-M295 CarbonylContact O-C 3.58Å; F291-M295 WeakPolarHBondContact O-CA 3.45Å; F291-M295 WeakPolarHBondContact O-CB 3.48Å; F291-M295 PolarHBondContact O-N 2.94Å; F291-L299 HydrophobicContact CE2-CD1 4.24Å; F291-L299 HydrophobicContact CZ-CD1 4.41Å; F291-L299 HydrophobicContact CZ-CG 4.4Å; F291-L332 HydrophobicContact CD2-CD2 4.43Å; F291-L332 HydrophobicContact CE2-CD2 4Å; F291-V455 HydrophobicContact CD1-CG2 4.46Å; F291-V455 HydrophobicContact CE1-CB 4.24Å; F291-V455 HydrophobicContact CE1-CG1 4.24Å; F291-V455 HydrophobicContact CE1-CG2 4.23Å; F291-V455 HydrophobicContact CE2-CG1 4.05Å; F291-V455 HydrophobicContact CZ-CB 4.21Å; F291-V455 HydrophobicContact CZ-CG1 3.76Å
292	M	93.8	Very high	92.5	Very high	92 Å²	92	44.3 Å²	44.3	45%	0.453	24%	0.243	S	C	.	.	H	α-helix	trans	-63.4	-18	178.2	-71.1	178.9	71.5	0	0	113.8	D288 D290 F450 T454	D288-M292 VanDerWaalsContact O-CG 3.3Å; D288-M292 WeakPolarHBondContact O-CG 3.26Å; D288-M292 PolarHBondContact O-N 3.41Å; D290-M292 PolarHBondContact O-N 2.63Å; M292-F450 HydrophobicContact CG-CE2 4.11Å; M292-F450 HydrophobicContact CG-CZ 4.28Å; M292-F450 HydrophobicContact SD-CE2 3.89Å; M292-F450 HydrophobicContact SD-CZ 4.46Å; M292-T454 HydrophobicContact CG-CG2 4.18Å
293	Q	93.4	Very high	92.9	Very high	121 Å²	121	42.7 Å²	42.7	57%	0.565	22%	0.219	S	C	*	.	H	α-helix	trans	-96.7	-42.2	179.2	177.3	174.3	-3.2	0	0	112.2	R273 D290 F291	R273-Q293 VanDerWaalsContact CZ-OE1 3.28Å; D290-Q293 CarbonylContact O-C 3.58Å; D290-Q293 WeakPolarHBondContact O-CA 3.45Å; D290-Q293 WeakPolarHBondContact O-CB 3.45Å; D290-Q293 PolarHBondContact O-N 3.3Å; F291-Q293 PolarHBondContact O-N 3.46Å; F291-Q293 VanDerWaalsContact O-N 3.15Å
294	D	91.4	Very high	93.2	Very high	74 Å²	74	44 Å²	44	40%	0.396	23%	0.23	S	C	.	.	H	α-helix	trans	-79.2	-32.4	-177.7	-56	-27.8	0	0	0	112.1	Y263 D290 F291	Y263-D294 PolarHBondContact OH-OD2 2.98Å; Y263-D294 VanDerWaalsContact OH-OD2 3.11Å; D290-D294 PolarHBondContact O-N 3.27Å; F291-D294 PolarHBondContact O-N 3.43Å
295	M	91.8	Very high	93.2	Very high	27 Å²	27	43 Å²	43	13%	0.133	22%	0.224	C	C	.	.			trans	-132.1	56.9	-171.1	-65.1	-71.2	-71	0	0	111.9	F291 D297 G298 L299 N396	F291-M295 HydrophobicContact CD2-CB 4.38Å; F291-M295 HydrophobicContact CE1-CB 4.15Å; F291-M295 HydrophobicContact CE2-CB 4.04Å; F291-M295 HydrophobicContact CE2-CG 4.32Å; F291-M295 HydrophobicContact CZ-CB 3.9Å; F291-M295 CarbonylContact O-C 3.58Å; F291-M295 WeakPolarHBondContact O-CA 3.45Å; F291-M295 WeakPolarHBondContact O-CB 3.48Å; F291-M295 PolarHBondContact O-N 2.94Å; M295-D297 VanDerWaalsContact C-N 3.29Å; M295-D297 PolarHBondContact O-N 2.99Å; M295-G298 WeakPolarHBondContact O-CA 3.42Å; M295-G298 PolarHBondContact O-N 3.01Å; M295-L299 HydrophobicContact CE-CD2 3.43Å; M295-L299 VanDerWaalsContact CE-CD2 3.43Å; M295-L299 HydrophobicContact CE-CG 4.1Å; M295-N396 HydrophobicContact CE-CB 3.73Å
296	P	91.3	Very high	93.3	Very high	84 Å²	84	44.5 Å²	44.5	55%	0.545	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-34.6	-176.3	26.2	-35.5	0	0	0	113.2	G298 K457	P296-G298 PolarHBondContact O-N 3.19Å; P296-K457 PolarHBondContact O-NZ 3.44Å
297	D	92.3	Very high	93.3	Very high	94 Å²	94	46 Å²	46	50%	0.503	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-18.5	173.9	-63.1	-53.7	0	0	0	112.7	M295 M300 K457	M295-D297 VanDerWaalsContact C-N 3.29Å; M295-D297 PolarHBondContact O-N 2.99Å; D297-M300 WeakPolarHBondContact O-CE 3.48Å; D297-K457 VanDerWaalsContact O-CD 3.28Å; D297-K457 WeakPolarHBondContact O-CD 3.35Å; D297-K457 VanDerWaalsContact O-CE 3.23Å; D297-K457 WeakPolarHBondContact O-CE 3.26Å; D297-K457 PolarHBondContact O-NZ 2.96Å
298	G	93.8	Very high	93	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.01	24%	0.241	C	C	.	.			trans	73.7	-169.2	-174.2	0	0	0	0	0	113	M295 P296	M295-G298 WeakPolarHBondContact O-CA 3.42Å; M295-G298 PolarHBondContact O-N 3.01Å; P296-G298 PolarHBondContact O-N 3.19Å
299	L	95.3	Very high	92.9	Very high	1 Å²	1	46 Å²	46	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	116.7	178.9	-66.2	166.1	0	0	0	109.7	F291 M295 L301 L332 L402 L404 V455 F456 K457	F291-L299 HydrophobicContact CE2-CD1 4.24Å; F291-L299 HydrophobicContact CZ-CD1 4.41Å; F291-L299 HydrophobicContact CZ-CG 4.4Å; M295-L299 HydrophobicContact CE-CD2 3.43Å; M295-L299 VanDerWaalsContact CE-CD2 3.43Å; M295-L299 HydrophobicContact CE-CG 4.1Å; L299-L301 PolarHBondContact O-N 2.71Å; L299-L332 HydrophobicContact CD1-CD1 4.21Å; L299-L332 HydrophobicContact CD1-CD2 3.77Å; L299-L402 HydrophobicContact CD2-CD1 3.4Å; L299-L404 HydrophobicContact CB-CD1 4.37Å; L299-L404 HydrophobicContact CD1-CD1 3.91Å; L299-L404 HydrophobicContact CD1-CD2 4.22Å; L299-L404 HydrophobicContact CD2-CD2 4.18Å; L299-V455 WeakPolarHBondContact CB-O 3.41Å; L299-V455 PolarHBondContact N-O 3.02Å; L299-F456 HydrophobicContact CB-CD1 4.08Å; L299-F456 HydrophobicContact CD1-CD1 4.16Å; L299-F456 HydrophobicContact CD1-CE1 3.91Å; L299-F456 CarbonylContact O-C 3.53Å; L299-F456 WeakPolarHBondContact O-CA 3.48Å; L299-K457 PolarHBondContact O-N 3.43Å
300	M	95.4	Very high	93	Very high	45 Å²	45	44.5 Å²	44.5	22%	0.222	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	121.7	174.8	-56.8	-59.1	112.1	0	0	109.3	D297 A394 V395 K457	D297-M300 WeakPolarHBondContact O-CE 3.48Å; M300-A394 CarbonylContact O-C 3.42Å; M300-A394 VanDerWaalsContact O-CA 3.31Å; M300-A394 WeakPolarHBondContact O-CA 3.33Å; M300-A394 WeakPolarHBondContact O-CB 3.43Å; M300-V395 WeakPolarHBondContact CA-O 3.29Å; M300-V395 HydrophobicContact CB-CB 4.27Å; M300-V395 WeakPolarHBondContact CB-O 3.42Å; M300-V395 PolarHBondContact N-O 3.38Å; M300-V395 PolarHBondContact O-N 2.7Å; M300-K457 WeakPolarHBondContact CA-O 3.37Å; M300-K457 HydrophobicContact CE-CB 3.83Å; M300-K457 HydrophobicContact CE-CD 4.18Å; M300-K457 HydrophobicContact CE-CG 4.36Å; M300-K457 HydrophobicContact SD-CB 4.3Å
301	L	93.4	Very high	92.9	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	151.6	168.6	-67.9	175.9	0	0	0	109.4	L299 T305 M309 I392 P393 A394 L404 F456 K457 S459	L299-L301 PolarHBondContact O-N 2.71Å; L301-T305 HydrophobicContact CB-CG2 4.47Å; L301-T305 HydrophobicContact CD1-CG2 4.44Å; L301-T305 HydrophobicContact CD2-CG2 4.09Å; L301-M309 HydrophobicContact CD1-CE 3.78Å; L301-M309 HydrophobicContact CD1-SD 3.55Å; L301-M309 VanDerWaalsContact CD1-SD 3.55Å; L301-I392 HydrophobicContact CD2-CG2 3.76Å; L301-P393 WeakPolarHBondContact CD2-O 3.34Å; L301-A394 HydrophobicContact CD2-CB 3.75Å; L301-L404 HydrophobicContact CD2-CD1 4.16Å; L301-F456 HydrophobicContact CD1-CB 4.04Å; L301-F456 HydrophobicContact CD1-CD1 3.96Å; L301-F456 HydrophobicContact CD1-CG 4.2Å; L301-F456 HydrophobicContact CG-CD1 4.49Å; L301-K457 PolarHBondContact N-O 2.95Å; L301-S459 VanDerWaalsContact O-CB 3.29Å; L301-S459 WeakPolarHBondContact O-CB 3.41Å; L301-S459 PolarHBondContact O-N 2.83Å; L301-S459 PolarHBondContact O-OG 2.92Å
302	D	91.9	Very high	92.8	Very high	67 Å²	67	51.4 Å²	51.4	36%	0.358	27%	0.265	S	S	.	.			trans	-61.2	165.6	169.6	77.3	-104.2	0	0	0	111.3	D304 T305 Y306	D302-D304 PolarHBondContact O-N 2.88Å; D302-D304 PolarHBondContact OD2-N 3.32Å; D302-T305 VanDerWaalsContact CG-OG1 3.3Å; D302-T305 WeakPolarHBondContact OD1-CB 3.49Å; D302-T305 PolarHBondContact OD1-OG1 3.21Å; D302-T305 WeakPolarHBondContact OD2-CB 3.28Å; D302-T305 PolarHBondContact OD2-N 3.09Å; D302-T305 PolarHBondContact OD2-OG1 3.07Å; D302-Y306 WeakPolarHBondContact O-CB 3.12Å; D302-Y306 PolarHBondContact O-N 3.34Å
303	Q	92.2	Very high	92.9	Very high	60 Å²	60	47.1 Å²	47.1	28%	0.28	24%	0.244	S	C	.	.	H	α-helix	trans	-58.5	-43.3	-172.2	-179.1	55.8	92	0	0	113.3	N307	Q303-N307 VanDerWaalsContact NE2-CG 3.33Å; Q303-N307 PolarHBondContact NE2-ND2 3.13Å; Q303-N307 PolarHBondContact NE2-OD1 3.07Å; Q303-N307 VanDerWaalsContact NE2-OD1 3.14Å; Q303-N307 WeakPolarHBondContact O-CB 3.37Å; Q303-N307 PolarHBondContact O-N 3.31Å; Q303-N307 VanDerWaalsContact O-N 3.15Å; Q303-N307 PolarHBondContact O-ND2 3.16Å
304	D	90.4	Very high	93	Very high	114 Å²	114	46.2 Å²	46.2	61%	0.61	24%	0.24	S	C	*	.	H	α-helix	trans	-90.9	-35.2	-169.3	-66.5	-40.3	0	0	0	111.6	D302 N307 A308	D302-D304 PolarHBondContact O-N 2.88Å; D302-D304 PolarHBondContact OD2-N 3.32Å; D304-N307 PolarHBondContact O-N 2.91Å; D304-A308 VanDerWaalsContact O-CB 3.29Å; D304-A308 WeakPolarHBondContact O-CB 3.4Å; D304-A308 PolarHBondContact O-N 3.45Å
305	T	90.6	Very high	93.2	Very high	8 Å²	8	47.8 Å²	47.8	5%	0.049	24%	0.24	C	C	.	.	H	α-helix	trans	-57.8	-48	166.4	-64.9	0	0	0	0	111.3	L301 D302 N307 A308 M309 I373 I392	L301-T305 HydrophobicContact CB-CG2 4.47Å; L301-T305 HydrophobicContact CD1-CG2 4.44Å; L301-T305 HydrophobicContact CD2-CG2 4.09Å; D302-T305 VanDerWaalsContact CG-OG1 3.3Å; D302-T305 WeakPolarHBondContact OD1-CB 3.49Å; D302-T305 PolarHBondContact OD1-OG1 3.21Å; D302-T305 WeakPolarHBondContact OD2-CB 3.28Å; D302-T305 PolarHBondContact OD2-N 3.09Å; D302-T305 PolarHBondContact OD2-OG1 3.07Å; T305-N307 PolarHBondContact O-N 2.95Å; T305-A308 PolarHBondContact O-N 2.95Å; T305-M309 WeakPolarHBondContact O-CB 3.35Å; T305-M309 PolarHBondContact O-N 3.17Å; T305-I373 HydrophobicContact CG2-CG2 4.03Å; T305-I392 HydrophobicContact CG2-CG2 3.37Å
306	Y	93.7	Very high	93.4	Very high	39 Å²	39	46.5 Å²	46.5	15%	0.153	23%	0.234	C	C	.	.	H	α-helix	trans	-58.3	-49	174.7	176.2	-90.8	0	0	0	111.5	D302 A308 M309 V310 S452 K458	D302-Y306 WeakPolarHBondContact O-CB 3.12Å; D302-Y306 PolarHBondContact O-N 3.34Å; Y306-A308 PolarHBondContact O-N 3.3Å; Y306-M309 PolarHBondContact O-N 3.28Å; Y306-V310 HydrophobicContact CD1-CG2 4.36Å; Y306-V310 HydrophobicContact CD2-CG2 4.3Å; Y306-V310 HydrophobicContact CE1-CG2 3.99Å; Y306-V310 HydrophobicContact CE2-CG2 3.93Å; Y306-V310 HydrophobicContact CG-CG2 4.5Å; Y306-V310 WeakPolarHBondContact O-CB 3.2Å; Y306-V310 VanDerWaalsContact O-CG2 3.32Å; Y306-V310 WeakPolarHBondContact O-CG2 3.38Å; Y306-V310 PolarHBondContact O-N 3.25Å; Y306-S452 PolarHBondContact OH-O 2.95Å; Y306-K458 HydrophobicContact CD1-CB 4.12Å; Y306-K458 HydrophobicContact CD2-CB 4.49Å; Y306-K458 HydrophobicContact CE1-CB 4.29Å; Y306-K458 HydrophobicContact CG-CB 4.23Å
307	N	92.9	Very high	93.6	Very high	58 Å²	58	42.8 Å²	42.8	31%	0.31	21%	0.21	S	C	.	.	H	α-helix	trans	-61.8	-42.2	-179.1	-74.2	-23.2	0	0	0	112.4	Q303 D304 T305 K311	Q303-N307 VanDerWaalsContact NE2-CG 3.33Å; Q303-N307 PolarHBondContact NE2-ND2 3.13Å; Q303-N307 PolarHBondContact NE2-OD1 3.07Å; Q303-N307 VanDerWaalsContact NE2-OD1 3.14Å; Q303-N307 WeakPolarHBondContact O-CB 3.37Å; Q303-N307 PolarHBondContact O-N 3.31Å; Q303-N307 VanDerWaalsContact O-N 3.15Å; Q303-N307 PolarHBondContact O-ND2 3.16Å; D304-N307 PolarHBondContact O-N 2.91Å; T305-N307 PolarHBondContact O-N 2.95Å; N307-K311 WeakPolarHBondContact O-CB 3.17Å; N307-K311 WeakPolarHBondContact O-CD 3.46Å; N307-K311 WeakPolarHBondContact O-CG 3.49Å; N307-K311 PolarHBondContact O-N 3.15Å; N307-K311 VanDerWaalsContact O-N 3.12Å
308	A	90.9	Very high	93.7	Very high	19 Å²	19	43.2 Å²	43.2	16%	0.157	21%	0.212	C	C	.	.	H	α-helix	trans	-72.4	-42	-179.9	0	0	0	0	0	112	D304 T305 Y306 K311 T312 I373	D304-A308 VanDerWaalsContact O-CB 3.29Å; D304-A308 WeakPolarHBondContact O-CB 3.4Å; D304-A308 PolarHBondContact O-N 3.45Å; T305-A308 PolarHBondContact O-N 2.95Å; Y306-A308 PolarHBondContact O-N 3.3Å; A308-K311 PolarHBondContact O-N 3.19Å; A308-T312 WeakPolarHBondContact O-CB 3.47Å; A308-T312 PolarHBondContact O-N 3.24Å; A308-T312 PolarHBondContact O-OG1 2.89Å; A308-I373 HydrophobicContact CB-CG2 3.7Å
309	M	92.2	Very high	93.7	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.02	22%	0.219	C	C	.	.	H	α-helix	trans	-61.7	-47.2	174.7	-176.2	-153.5	64.5	0	0	111.5	L301 T305 Y306 K311 T312 L313 I373 I406 F456	L301-M309 HydrophobicContact CD1-CE 3.78Å; L301-M309 HydrophobicContact CD1-SD 3.55Å; L301-M309 VanDerWaalsContact CD1-SD 3.55Å; T305-M309 WeakPolarHBondContact O-CB 3.35Å; T305-M309 PolarHBondContact O-N 3.17Å; Y306-M309 PolarHBondContact O-N 3.28Å; M309-K311 PolarHBondContact O-N 2.94Å; M309-T312 WeakPolarHBondContact O-CB 3.37Å; M309-T312 PolarHBondContact O-N 3.38Å; M309-L313 WeakPolarHBondContact O-CB 3.18Å; M309-L313 PolarHBondContact O-N 3.45Å; M309-I373 HydrophobicContact CB-CD1 4.24Å; M309-I406 HydrophobicContact CG-CD1 4.15Å; M309-I406 HydrophobicContact SD-CD1 4.21Å; M309-F456 HydrophobicContact CE-CB 3.69Å; M309-F456 HydrophobicContact CE-CD1 4.44Å; M309-F456 HydrophobicContact CE-CD2 3.58Å; M309-F456 HydrophobicContact CE-CE2 4.34Å; M309-F456 HydrophobicContact CE-CG 3.64Å; M309-F456 HydrophobicContact SD-CB 4.43Å; M309-F456 HydrophobicContact SD-CD1 4.1Å; M309-F456 HydrophobicContact SD-CD2 3.77Å; M309-F456 HydrophobicContact SD-CE1 4.3Å; M309-F456 HydrophobicContact SD-CE2 4Å; M309-F456 HydrophobicContact SD-CG 3.83Å; M309-F456 HydrophobicContact SD-CZ 4.27Å
310	V	94.2	Very high	93.7	Very high	22 Å²	22	44.5 Å²	44.5	13%	0.133	22%	0.219	C	C	.	.	H	α-helix	trans	-63.7	-42	178.6	171.5	0	0	0	0	111.6	Y306 T312 L313 Q314 F448	Y306-V310 HydrophobicContact CD1-CG2 4.36Å; Y306-V310 HydrophobicContact CD2-CG2 4.3Å; Y306-V310 HydrophobicContact CE1-CG2 3.99Å; Y306-V310 HydrophobicContact CE2-CG2 3.93Å; Y306-V310 HydrophobicContact CG-CG2 4.5Å; Y306-V310 WeakPolarHBondContact O-CB 3.2Å; Y306-V310 VanDerWaalsContact O-CG2 3.32Å; Y306-V310 WeakPolarHBondContact O-CG2 3.38Å; Y306-V310 PolarHBondContact O-N 3.25Å; V310-T312 VanDerWaalsContact C-N 3.32Å; V310-T312 PolarHBondContact O-N 3.42Å; V310-L313 PolarHBondContact O-N 3.03Å; V310-Q314 WeakPolarHBondContact O-CB 3.17Å; V310-Q314 PolarHBondContact O-N 2.95Å; V310-F448 HydrophobicContact CG1-CE2 3.91Å; V310-F448 HydrophobicContact CG1-CZ 3.7Å
311	K	94	Very high	93.5	Very high	139 Å²	139	45.5 Å²	45.5	60%	0.604	22%	0.223	S	C	*	.	H	α-helix	trans	-60.3	-40.6	173.7	-76.7	170.6	-178.7	178.7	0	112.4	N307 A308 M309 R315	N307-K311 WeakPolarHBondContact O-CB 3.17Å; N307-K311 WeakPolarHBondContact O-CD 3.46Å; N307-K311 WeakPolarHBondContact O-CG 3.49Å; N307-K311 PolarHBondContact O-N 3.15Å; N307-K311 VanDerWaalsContact O-N 3.12Å; A308-K311 PolarHBondContact O-N 3.19Å; M309-K311 PolarHBondContact O-N 2.94Å; K311-R315 WeakPolarHBondContact O-CG 3.37Å; K311-R315 PolarHBondContact O-N 2.89Å
312	T	93.9	Very high	93.4	Very high	8 Å²	8	48.5 Å²	48.5	5%	0.049	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-51.3	178.2	-57.2	0	0	0	0	110.5	R225 L227 A308 M309 V310 Q314 R315 D316	R225-T312 HydrophobicContact CB-CG2 4.21Å; R225-T312 WeakPolarHBondContact O-CG2 3.25Å; L227-T312 HydrophobicContact CG-CG2 4.08Å; A308-T312 WeakPolarHBondContact O-CB 3.47Å; A308-T312 PolarHBondContact O-N 3.24Å; A308-T312 PolarHBondContact O-OG1 2.89Å; M309-T312 WeakPolarHBondContact O-CB 3.37Å; M309-T312 PolarHBondContact O-N 3.38Å; V310-T312 VanDerWaalsContact C-N 3.32Å; V310-T312 PolarHBondContact O-N 3.42Å; T312-Q314 VanDerWaalsContact C-N 3.28Å; T312-Q314 PolarHBondContact O-N 2.89Å; T312-R315 WeakPolarHBondContact O-CB 3.5Å; T312-R315 PolarHBondContact O-N 3.08Å; T312-D316 PolarHBondContact O-N 3.43Å
313	L	95.2	Very high	93.4	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-57.6	-40	178.1	-167.3	77.3	0	0	0	112	L227 M309 V310 D316 C317 L330 I408 F447 F448 M451	L227-L313 HydrophobicContact CD1-CD1 3.82Å; M309-L313 WeakPolarHBondContact O-CB 3.18Å; M309-L313 PolarHBondContact O-N 3.45Å; V310-L313 PolarHBondContact O-N 3.03Å; L313-D316 PolarHBondContact O-N 3.48Å; L313-C317 WeakPolarHBondContact O-CB 3.35Å; L313-C317 PolarHBondContact O-N 2.91Å; L313-C317 PolarHBondContact O-SG 3.19Å; L313-C317 VanDerWaalsContact O-SG 3.38Å; L313-L330 HydrophobicContact CD1-CD1 4.49Å; L313-I408 HydrophobicContact CD1-CD1 4.16Å; L313-F447 HydrophobicContact CD1-CE1 4.09Å; L313-F448 HydrophobicContact CB-CD2 4.38Å; L313-F448 HydrophobicContact CB-CE2 4.43Å; L313-F448 HydrophobicContact CD2-CD2 3.85Å; L313-F448 HydrophobicContact CD2-CE2 4.37Å; L313-F448 HydrophobicContact CG-CD2 4.11Å; L313-M451 HydrophobicContact CD2-CB 3.47Å; L313-M451 VanDerWaalsContact CD2-CB 3.47Å; L313-M451 HydrophobicContact CD2-CG 3.9Å
314	Q	95.9	Very high	93.2	Very high	101 Å²	101	48.8 Å²	48.8	47%	0.472	24%	0.242	S	C	.	.	H	α-helix	trans	-62.6	-41.9	176.3	-166.1	179.8	6.9	0	0	112	V310 T312 L318 F448	V310-Q314 WeakPolarHBondContact O-CB 3.17Å; V310-Q314 PolarHBondContact O-N 2.95Å; T312-Q314 VanDerWaalsContact C-N 3.28Å; T312-Q314 PolarHBondContact O-N 2.89Å; Q314-L318 WeakPolarHBondContact O-CG 3.19Å; Q314-L318 PolarHBondContact O-N 3.01Å; Q314-L318 VanDerWaalsContact O-N 3.15Å; Q314-F448 HydrophobicContact CB-CD2 4.25Å; Q314-F448 HydrophobicContact CB-CE2 3.58Å; Q314-F448 HydrophobicContact CB-CZ 3.93Å; Q314-F448 HydrophobicContact CG-CE2 4.14Å; Q314-F448 HydrophobicContact CG-CZ 4.09Å
315	R	95.4	Very high	93.2	Very high	107 Å²	107	43.4 Å²	43.4	40%	0.404	21%	0.213	S	C	.	.	H	α-helix	trans	-65.7	-45.2	177.2	-68.9	169.7	72.2	68.2	-4.7	111.1	Q222 K311 T312 C317 L318 V319	Q222-R315 PolarHBondContact O-NH2 3.47Å; K311-R315 WeakPolarHBondContact O-CG 3.37Å; K311-R315 PolarHBondContact O-N 2.89Å; T312-R315 WeakPolarHBondContact O-CB 3.5Å; T312-R315 PolarHBondContact O-N 3.08Å; R315-C317 PolarHBondContact O-N 2.92Å; R315-L318 PolarHBondContact O-N 3.05Å; R315-V319 WeakPolarHBondContact O-CG2 3.3Å; R315-V319 PolarHBondContact O-N 3.47Å; R315-V319 VanDerWaalsContact O-N 3.08Å
316	D	95.9	Very high	93.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.6	-39.7	179.2	-62.8	-30.2	0	0	0	111.8	N223 T226 L227 L228 T312 L313 L318 V319 L320 I408	N223-D316 PolarHBondContact ND2-OD1 2.97Å; T226-D316 VanDerWaalsContact CB-OD1 3.31Å; T226-D316 WeakPolarHBondContact CB-OD1 3.32Å; T226-D316 PolarHBondContact OG1-OD1 3.44Å; T226-D316 PolarHBondContact OG1-OD2 3.45Å; L227-D316 PolarHBondContact N-OD2 2.84Å; L228-D316 HydrophobicContact CD2-CB 4.19Å; L228-D316 HydrophobicContact CG-CB 4.22Å; T312-D316 PolarHBondContact O-N 3.43Å; L313-D316 PolarHBondContact O-N 3.48Å; D316-L318 PolarHBondContact O-N 3.48Å; D316-V319 PolarHBondContact O-N 2.95Å; D316-L320 VanDerWaalsContact O-CG 3.28Å; D316-L320 WeakPolarHBondContact O-CG 3.41Å; D316-L320 PolarHBondContact O-N 2.9Å; D316-I408 HydrophobicContact CB-CD1 3.86Å
317	C	95.7	Very high	92.7	Very high	7 Å²	7	45.5 Å²	45.5	5%	0.047	23%	0.226	C	C	.	.	H	α-helix	trans	-60.3	-39.9	172.7	-79.5	0	0	0	0	113	L313 R315 L320 E321 A444	L313-C317 WeakPolarHBondContact O-CB 3.35Å; L313-C317 PolarHBondContact O-N 2.91Å; L313-C317 PolarHBondContact O-SG 3.19Å; L313-C317 VanDerWaalsContact O-SG 3.38Å; R315-C317 PolarHBondContact O-N 2.92Å; C317-L320 PolarHBondContact O-N 2.91Å; C317-E321 WeakPolarHBondContact O-CB 3.4Å; C317-E321 PolarHBondContact O-N 3.3Å; C317-A444 HydrophobicContact CB-CB 4.25Å
318	L	94.6	Very high	92.7	Very high	103 Å²	103	42.7 Å²	42.7	54%	0.539	21%	0.211	S	C	.	.	H	α-helix	trans	-66	-36.3	175.2	-71.6	167.2	0	0	0	112.3	Q314 R315 D316 S322	Q314-L318 WeakPolarHBondContact O-CG 3.19Å; Q314-L318 PolarHBondContact O-N 3.01Å; Q314-L318 VanDerWaalsContact O-N 3.15Å; R315-L318 PolarHBondContact O-N 3.05Å; D316-L318 PolarHBondContact O-N 3.48Å; L318-S322 WeakPolarHBondContact O-CB 3.33Å; L318-S322 PolarHBondContact O-N 2.88Å
319	V	94	Very high	92.9	Very high	28 Å²	28	41.8 Å²	41.8	17%	0.17	20%	0.204	C	C	.	.	H	α-helix	trans	-65.8	-46.6	173.1	171.7	0	0	0	0	110.7	N219 L228 R315 D316 E321 S322 F323	N219-V319 HydrophobicContact CB-CG2 4.23Å; L228-V319 HydrophobicContact CD1-CG1 4.1Å; R315-V319 WeakPolarHBondContact O-CG2 3.3Å; R315-V319 PolarHBondContact O-N 3.47Å; R315-V319 VanDerWaalsContact O-N 3.08Å; D316-V319 PolarHBondContact O-N 2.95Å; V319-E321 VanDerWaalsContact C-N 3.33Å; V319-E321 PolarHBondContact O-N 3.48Å; V319-S322 PolarHBondContact O-N 3.19Å; V319-S322 VanDerWaalsContact O-N 3.17Å; V319-S322 PolarHBondContact O-OG 3.28Å; V319-F323 HydrophobicContact CG1-CD2 4.02Å; V319-F323 HydrophobicContact CG1-CE2 4.16Å; V319-F323 VanDerWaalsContact O-CD2 3.28Å; V319-F323 WeakPolarHBondContact O-CD2 3.32Å; V319-F323 PolarHBondContact O-N 3.44Å
320	L	94.4	Very high	93.1	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-63	-39.6	177.8	-65.9	167.4	0	0	0	111.9	L228 D316 C317 K324 I325 Y328 I408 I411	L228-L320 HydrophobicContact CD2-CD1 3.84Å; L228-L320 HydrophobicContact CD2-CD2 3.83Å; L228-L320 HydrophobicContact CD2-CG 3.91Å; D316-L320 VanDerWaalsContact O-CG 3.28Å; D316-L320 WeakPolarHBondContact O-CG 3.41Å; D316-L320 PolarHBondContact O-N 2.9Å; C317-L320 PolarHBondContact O-N 2.91Å; L320-K324 PolarHBondContact O-N 2.89Å; L320-I325 HydrophobicContact CB-CB 4.43Å; L320-I325 HydrophobicContact CD2-CB 4.13Å; L320-I325 HydrophobicContact CD2-CD1 3.69Å; L320-I325 HydrophobicContact CD2-CG2 4.03Å; L320-I325 PolarHBondContact O-N 3.29Å; L320-Y328 HydrophobicContact CB-CD1 4.44Å; L320-Y328 HydrophobicContact CB-CE1 3.79Å; L320-Y328 HydrophobicContact CD1-CD1 4.06Å; L320-Y328 HydrophobicContact CD1-CD2 3.77Å; L320-Y328 HydrophobicContact CD1-CE1 3.86Å; L320-Y328 HydrophobicContact CD1-CE2 3.57Å; L320-Y328 HydrophobicContact CD1-CG 4Å; L320-Y328 HydrophobicContact CG-CE1 4.31Å; L320-I408 HydrophobicContact CD1-CD1 4.14Å; L320-I408 HydrophobicContact CD1-CG2 4.03Å; L320-I411 HydrophobicContact CD2-CB 3.79Å; L320-I411 HydrophobicContact CD2-CD1 4.43Å; L320-I411 HydrophobicContact CD2-CG2 3.66Å
321	E	93	Very high	93.1	Very high	65 Å²	65	41 Å²	41	30%	0.304	20%	0.199	S	C	.	.	H	α-helix	trans	-63.2	-43.4	172.1	174.4	169	-164.6	0	0	112	C317 V319 F323 K324 P440 G441 A444	C317-E321 WeakPolarHBondContact O-CB 3.4Å; C317-E321 PolarHBondContact O-N 3.3Å; V319-E321 VanDerWaalsContact C-N 3.33Å; V319-E321 PolarHBondContact O-N 3.48Å; E321-F323 VanDerWaalsContact C-N 3.33Å; E321-F323 PolarHBondContact O-N 2.82Å; E321-K324 VanDerWaalsContact O-CD 3.25Å; E321-K324 WeakPolarHBondContact O-CD 3.29Å; E321-K324 VanDerWaalsContact O-CE 3.26Å; E321-K324 WeakPolarHBondContact O-CE 2.89Å; E321-K324 PolarHBondContact O-N 2.71Å; E321-K324 PolarHBondContact O-NZ 2.67Å; E321-P440 HydrophobicContact CG-CB 4.39Å; E321-G441 WeakPolarHBondContact OE1-CA 3.48Å; E321-G441 PolarHBondContact OE1-N 3.19Å; E321-G441 WeakPolarHBondContact OE2-CA 3.37Å; E321-A444 HydrophobicContact CB-CB 4.35Å
322	S	91.3	Very high	93.2	Very high	65 Å²	65	34.4 Å²	34.4	46%	0.455	17%	0.17	S	C	.	.	H	α-helix	trans	-61.8	-42.6	-176.8	78.9	0	0	0	0	111.3	L318 V319 K324	L318-S322 WeakPolarHBondContact O-CB 3.33Å; L318-S322 PolarHBondContact O-N 2.88Å; V319-S322 PolarHBondContact O-N 3.19Å; V319-S322 VanDerWaalsContact O-N 3.17Å; V319-S322 PolarHBondContact O-OG 3.28Å; S322-K324 VanDerWaalsContact O-CE 3.29Å; S322-K324 WeakPolarHBondContact O-CE 3.35Å; S322-K324 PolarHBondContact O-N 2.88Å
323	F	90.3	Very high	93.3	Very high	60 Å²	60	34 Å²	34	26%	0.263	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	1.5	174.6	-70.2	-69.3	0	0	0	115	F208 L212 V319 E321 I325 S414	F208-F323 HydrophobicContact CZ-CB 4.24Å; L212-F323 HydrophobicContact CD1-CB 4.1Å; L212-F323 HydrophobicContact CD1-CD1 3.78Å; L212-F323 HydrophobicContact CD1-CD2 3.44Å; L212-F323 VanDerWaalsContact CD1-CD2 3.44Å; L212-F323 HydrophobicContact CD1-CE1 4.17Å; L212-F323 HydrophobicContact CD1-CE2 3.87Å; L212-F323 HydrophobicContact CD1-CG 3.44Å; L212-F323 VanDerWaalsContact CD1-CG 3.44Å; L212-F323 HydrophobicContact CD1-CZ 4.25Å; V319-F323 HydrophobicContact CG1-CD2 4.02Å; V319-F323 HydrophobicContact CG1-CE2 4.16Å; V319-F323 VanDerWaalsContact O-CD2 3.28Å; V319-F323 WeakPolarHBondContact O-CD2 3.32Å; V319-F323 PolarHBondContact O-N 3.44Å; E321-F323 VanDerWaalsContact C-N 3.33Å; E321-F323 PolarHBondContact O-N 2.82Å; F323-I325 HydrophobicContact CB-CD1 3.67Å; F323-I325 HydrophobicContact CB-CG1 3.87Å; F323-I325 PolarHBondContact O-N 3.13Å; F323-S414 PolarHBondContact O-OG 2.86Å
324	K	89.8	Confident	93.2	Very high	73 Å²	73	34.1 Å²	34.1	32%	0.317	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	37.7	-179.8	-46.4	-60.4	153.3	-149.6	0	112.2	L320 E321 S322 Y415 P440	L320-K324 PolarHBondContact O-N 2.89Å; E321-K324 VanDerWaalsContact O-CD 3.25Å; E321-K324 WeakPolarHBondContact O-CD 3.29Å; E321-K324 VanDerWaalsContact O-CE 3.26Å; E321-K324 WeakPolarHBondContact O-CE 2.89Å; E321-K324 PolarHBondContact O-N 2.71Å; E321-K324 PolarHBondContact O-NZ 2.67Å; S322-K324 VanDerWaalsContact O-CE 3.29Å; S322-K324 WeakPolarHBondContact O-CE 3.35Å; S322-K324 PolarHBondContact O-N 2.88Å; K324-Y415 WeakPolarHBondContact O-CB 3.35Å; K324-Y415 PolarHBondContact O-N 3.1Å; K324-P440 HydrophobicContact CB-CG 3.98Å; K324-P440 HydrophobicContact CD-CB 4.37Å; K324-P440 HydrophobicContact CD-CG 3.98Å
325	I	90.4	Very high	93.1	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-82.1	141.4	174.8	-59.6	163.9	0	0	0	108.3	F208 L212 L320 F323 Y328 I411	F208-I325 HydrophobicContact CE1-CD1 3.85Å; F208-I325 HydrophobicContact CE1-CG1 3.71Å; F208-I325 HydrophobicContact CZ-CD1 3.8Å; F208-I325 HydrophobicContact CZ-CG1 3.49Å; F208-I325 VanDerWaalsContact CZ-CG1 3.49Å; L212-I325 HydrophobicContact CD1-CD1 4.35Å; L212-I325 HydrophobicContact CD2-CD1 4.49Å; L320-I325 HydrophobicContact CB-CB 4.43Å; L320-I325 HydrophobicContact CD2-CB 4.13Å; L320-I325 HydrophobicContact CD2-CD1 3.69Å; L320-I325 HydrophobicContact CD2-CG2 4.03Å; L320-I325 PolarHBondContact O-N 3.29Å; F323-I325 HydrophobicContact CB-CD1 3.67Å; F323-I325 HydrophobicContact CB-CG1 3.87Å; F323-I325 PolarHBondContact O-N 3.13Å; I325-Y328 HydrophobicContact CG2-CD1 4.01Å; I325-I411 WeakPolarHBondContact CD1-O 3.45Å; I325-I411 HydrophobicContact CG2-CB 4.2Å; I325-I411 WeakPolarHBondContact CG2-O 3.37Å
326	M	86.9	Confident	93	Very high	14 Å²	14	25.8 Å²	25.8	7%	0.069	13%	0.134	C	C	.	.			trans	-137.6	177.5	175.3	-56.7	-161.7	-47.9	0	0	110.1	Y328 Q413 Y415 H438 P440 Y443	M326-Y328 PolarHBondContact O-N 3.05Å; M326-Q413 PolarHBondContact N-O 2.92Å; M326-Y415 HydrophobicContact CE-CD2 3.52Å; M326-Y415 HydrophobicContact CE-CE2 4.19Å; M326-Y415 HydrophobicContact CE-CG 3.92Å; M326-Y415 HydrophobicContact SD-CD2 4.44Å; M326-Y415 HydrophobicContact SD-CG 4.33Å; M326-H438 HydrophobicContact CE-CB 4.38Å; M326-H438 HydrophobicContact SD-CB 4.32Å; M326-P440 HydrophobicContact CG-CB 4.23Å; M326-P440 HydrophobicContact CG-CG 4.04Å; M326-P440 HydrophobicContact SD-CB 4.43Å; M326-P440 HydrophobicContact SD-CG 3.93Å; M326-Y443 HydrophobicContact CB-CD2 4.2Å; M326-Y443 HydrophobicContact CB-CG 4.46Å
327	D	86.4	Confident	92.7	Very high	77 Å²	77	28.3 Å²	28.3	41%	0.412	15%	0.147	S	C	.	.	S	Bend	trans	58	14.3	174.2	-70	-54.4	0	0	0	117.5	K266 Y443	K266-D327 WeakPolarHBondContact CE-O 3.38Å; K266-D327 PolarHBondContact NZ-O 2.64Å; D327-Y443 WeakPolarHBondContact CA-OH 3.47Å; D327-Y443 WeakPolarHBondContact OD1-CE2 3.42Å
328	Y	93.5	Very high	92.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.			trans	-66.6	147.5	165.6	55.1	-92	0	0	0	112.3	L320 I325 M326 I408 I409 Y443 A444 F447	L320-Y328 HydrophobicContact CB-CD1 4.44Å; L320-Y328 HydrophobicContact CB-CE1 3.79Å; L320-Y328 HydrophobicContact CD1-CD1 4.06Å; L320-Y328 HydrophobicContact CD1-CD2 3.77Å; L320-Y328 HydrophobicContact CD1-CE1 3.86Å; L320-Y328 HydrophobicContact CD1-CE2 3.57Å; L320-Y328 HydrophobicContact CD1-CG 4Å; L320-Y328 HydrophobicContact CG-CE1 4.31Å; I325-Y328 HydrophobicContact CG2-CD1 4.01Å; M326-Y328 PolarHBondContact O-N 3.05Å; Y328-I408 HydrophobicContact CD2-CG2 3.8Å; Y328-I408 HydrophobicContact CG-CG2 4.21Å; Y328-I409 WeakPolarHBondContact CA-O 3.34Å; Y328-I409 WeakPolarHBondContact CB-O 3.33Å; Y328-Y443 HydrophobicContact CD1-CD1 4.39Å; Y328-Y443 HydrophobicContact CD1-CE1 4.15Å; Y328-Y443 HydrophobicContact CD2-CE1 4.27Å; Y328-Y443 AromaticContact CE1-CD1 3.78Å; Y328-Y443 HydrophobicContact CE1-CD1 3.78Å; Y328-Y443 AromaticContact CE1-CE1 3.95Å; Y328-Y443 HydrophobicContact CE1-CE1 3.95Å; Y328-Y443 HydrophobicContact CE2-CD1 4.3Å; Y328-Y443 HydrophobicContact CE2-CE1 4.07Å; Y328-Y443 HydrophobicContact CG-CE1 4.33Å; Y328-Y443 AromaticContact CZ-CD1 3.74Å; Y328-Y443 AromaticContact CZ-CE1 3.93Å; Y328-Y443 PolarHBondContact O-OH 2.89Å; Y328-A444 WeakPolarHBondContact OH-CA 3.35Å; Y328-A444 WeakPolarHBondContact OH-CB 3.49Å; Y328-F447 AromaticContact CD2-CD2 3.97Å; Y328-F447 HydrophobicContact CD2-CD2 3.97Å; Y328-F447 HydrophobicContact CD2-CE1 4.2Å; Y328-F447 AromaticContact CD2-CE2 3.61Å; Y328-F447 HydrophobicContact CD2-CE2 3.61Å; Y328-F447 HydrophobicContact CD2-CG 4.41Å; Y328-F447 AromaticContact CD2-CZ 3.73Å; Y328-F447 HydrophobicContact CD2-CZ 3.73Å; Y328-F447 HydrophobicContact CE2-CB 4.41Å; Y328-F447 AromaticContact CE2-CD1 3.75Å; Y328-F447 HydrophobicContact CE2-CD1 3.75Å; Y328-F447 AromaticContact CE2-CD2 3.76Å; Y328-F447 HydrophobicContact CE2-CD2 3.76Å; Y328-F447 AromaticContact CE2-CE1 3.77Å; Y328-F447 HydrophobicContact CE2-CE1 3.77Å; Y328-F447 AromaticContact CE2-CE2 3.78Å; Y328-F447 HydrophobicContact CE2-CE2 3.78Å; Y328-F447 AromaticContact CE2-CG 3.74Å; Y328-F447 HydrophobicContact CE2-CG 3.74Å; Y328-F447 AromaticContact CE2-CZ 3.78Å; Y328-F447 HydrophobicContact CE2-CZ 3.78Å
329	S	93.9	Very high	92.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	153.1	172.4	7.9	0	0	0	0	111.6	D264 L265 K266 I408 I409	D264-S329 WeakPolarHBondContact OD2-CB 3.24Å; D264-S329 PolarHBondContact OD2-OG 3.09Å; L265-S329 CarbonylContact O-C 3.55Å; L265-S329 VanDerWaalsContact O-CA 3.24Å; L265-S329 WeakPolarHBondContact O-CA 3.46Å; L265-S329 WeakPolarHBondContact O-CB 3.24Å; K266-S329 WeakPolarHBondContact CE-OG 3.33Å; S329-I408 CarbonylContact O-C 3.48Å; S329-I408 VanDerWaalsContact O-CA 3.29Å; S329-I408 WeakPolarHBondContact O-CA 3.43Å; S329-I409 PolarHBondContact N-O 3.31Å; S329-I409 PolarHBondContact O-N 2.92Å; S329-I409 WeakPolarHBondContact OG-CD1 3.14Å
330	L	96.4	Very high	92.1	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	118.6	152.9	-168.2	75.4	0	0	0	107.4	L227 L265 L313 I406 I408 F447 M451 F456	L227-L330 HydrophobicContact CD1-CD1 4.46Å; L265-L330 PolarHBondContact N-O 3.4Å; L265-L330 PolarHBondContact O-N 3.22Å; L313-L330 HydrophobicContact CD1-CD1 4.49Å; L330-I406 HydrophobicContact CD1-CB 4.46Å; L330-I408 HydrophobicContact CD1-CG1 3.93Å; L330-F447 HydrophobicContact CB-CE2 4.35Å; L330-F447 HydrophobicContact CB-CZ 3.89Å; L330-M451 HydrophobicContact CB-CE 3.58Å; L330-M451 HydrophobicContact CB-SD 4Å; L330-M451 HydrophobicContact CD2-CE 4.43Å; L330-M451 HydrophobicContact CD2-CG 4.25Å; L330-M451 HydrophobicContact CD2-SD 3.69Å; L330-F456 HydrophobicContact CD2-CE2 3.68Å; L330-F456 HydrophobicContact CD2-CZ 3.9Å
331	L	95.3	Very high	91.8	Very high	8 Å²	8	31 Å²	31	4%	0.042	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	126.8	163.4	172.8	51.5	0	0	0	108.2	V252 L253 I406 G407 I409 I693 F695	V252-L331 HydrophobicContact CB-CD2 4.01Å; V252-L331 HydrophobicContact CG1-CD2 4.17Å; V252-L331 HydrophobicContact CG1-CG 4.27Å; L253-L331 HydrophobicContact CD1-CD1 3.9Å; L253-L331 HydrophobicContact CD1-CG 4.32Å; L253-L331 HydrophobicContact CG-CD1 4.35Å; L253-L331 HydrophobicContact CG-CD2 4.16Å; L253-L331 HydrophobicContact CG-CG 4.21Å; L331-I406 VanDerWaalsContact O-CA 3.29Å; L331-I406 WeakPolarHBondContact O-CA 3.45Å; L331-G407 PolarHBondContact N-O 2.98Å; L331-G407 PolarHBondContact O-N 3.4Å; L331-G407 VanDerWaalsContact O-N 3.08Å; L331-I409 HydrophobicContact CB-CG1 4.3Å; L331-I409 HydrophobicContact CB-CG2 4.03Å; L331-I409 HydrophobicContact CD2-CG2 4.35Å; L331-I693 HydrophobicContact CB-CD1 4.1Å; L331-I693 HydrophobicContact CD1-CD1 3.95Å; L331-I693 HydrophobicContact CD2-CD1 4.31Å; L331-I693 HydrophobicContact CD2-CG2 4.41Å; L331-I693 HydrophobicContact CG-CD1 4.35Å; L331-F695 HydrophobicContact CD1-CE1 3.88Å; L331-F695 HydrophobicContact CD1-CZ 3.56Å; L331-F695 HydrophobicContact CD2-CE1 4.1Å; L331-F695 HydrophobicContact CD2-CZ 4.26Å
332	L	95.8	Very high	91.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	116.9	176.7	165.2	66.2	0	0	0	109.5	K262 Y263 L265 F291 L299 V334 L404 I406 V455 F456	K262-L332 CarbonylContact C-O 3.58Å; K262-L332 WeakPolarHBondContact CA-O 3.23Å; Y263-L332 HydrophobicContact CD2-CD2 4.17Å; Y263-L332 PolarHBondContact N-O 3.43Å; Y263-L332 PolarHBondContact O-N 2.52Å; L265-L332 HydrophobicContact CD1-CB 4.47Å; L265-L332 HydrophobicContact CD1-CD2 4.04Å; F291-L332 HydrophobicContact CD2-CD2 4.43Å; F291-L332 HydrophobicContact CE2-CD2 4Å; L299-L332 HydrophobicContact CD1-CD1 4.21Å; L299-L332 HydrophobicContact CD1-CD2 3.77Å; L332-V334 HydrophobicContact CD1-CG2 4.19Å; L332-V334 HydrophobicContact CG-CG2 4.17Å; L332-L404 HydrophobicContact CD1-CB 4.29Å; L332-L404 HydrophobicContact CD1-CD2 4.45Å; L332-I406 HydrophobicContact CB-CG2 4.41Å; L332-I406 HydrophobicContact CD1-CG2 3.59Å; L332-V455 HydrophobicContact CD2-CG1 4.08Å; L332-F456 HydrophobicContact CD1-CE1 4.42Å; L332-F456 HydrophobicContact CD1-CZ 4.48Å
333	G	95	Very high	91.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	140.3	164.9	0	0	0	0	0	110.7	L404 Y405	G333-L404 WeakPolarHBondContact O-CA 3.43Å; G333-Y405 PolarHBondContact N-O 3.14Å; G333-Y405 PolarHBondContact O-N 3.33Å
334	V	94.2	Very high	91.2	Very high	5 Å²	5	39 Å²	39	3%	0.03	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	117.7	179.3	-174.1	0	0	0	0	109.2	H260 L261 L332 L402 L404	H260-V334 PolarHBondContact N-O 3.13Å; L261-V334 HydrophobicContact CB-CB 4.09Å; L261-V334 HydrophobicContact CB-CG2 4.27Å; L261-V334 PolarHBondContact N-O 3.49Å; L261-V334 PolarHBondContact O-N 2.96Å; L332-V334 HydrophobicContact CD1-CG2 4.19Å; L332-V334 HydrophobicContact CG-CG2 4.17Å; V334-L402 HydrophobicContact CG1-CB 4.32Å; V334-L402 HydrophobicContact CG1-CD1 3.78Å; V334-L402 HydrophobicContact CG1-CD2 3.86Å; V334-L402 HydrophobicContact CG1-CG 4.21Å; V334-L404 HydrophobicContact CB-CD2 4.35Å; V334-L404 HydrophobicContact CG1-CD2 3.95Å; V334-L404 HydrophobicContact CG2-CD2 4.07Å
335	H	93.3	Very high	90.9	Very high	22 Å²	22	41.9 Å²	41.9	10%	0.102	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	120.6	164.8	176.8	81.3	0	0	0	108.9	V257 R258 H260 L402 L403 Y405	V257-H335 HydrophobicContact CG1-CB 3.65Å; R258-H335 PolarHBondContact O-ND1 2.73Å; H260-H335 AromaticContact CE1-CE1 3.82Å; H260-H335 AromaticContact CE1-ND1 3.52Å; H260-H335 AromaticContact ND1-ND1 3.76Å; H335-L402 CarbonylContact O-C 3.54Å; H335-L402 WeakPolarHBondContact O-CA 3.22Å; H335-L403 HydrophobicContact CB-CB 4.2Å; H335-L403 PolarHBondContact N-O 2.99Å; H335-L403 PolarHBondContact O-N 3.07Å; H335-Y405 HydrophobicContact CB-CE2 4.41Å
336	N	93.1	Very high	90.4	Very high	11 Å²	11	48.3 Å²	48.3	6%	0.059	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	112.8	176.3	-177.6	-22	0	0	0	108.6	H260 D338 Q339 A340 E400 L402	H260-N336 PolarHBondContact CE1-O 3.33Å; H260-N336 PolarHBondContact ND1-N 2.85Å; N336-D338 PolarHBondContact OD1-N 3.19Å; N336-Q339 HydrophobicContact CB-CB 3.83Å; N336-Q339 PolarHBondContact O-N 3.12Å; N336-Q339 PolarHBondContact OD1-N 3.48Å; N336-Q339 VanDerWaalsContact OD1-N 3.12Å; N336-A340 WeakPolarHBondContact O-CB 3.18Å; N336-A340 PolarHBondContact O-N 2.93Å; N336-E400 PolarHBondContact ND2-OE2 3.13Å; N336-L402 HydrophobicContact CB-CD2 3.63Å
337	M	90.4	Very high	89.8	Confident	54 Å²	54	53.6 Å²	53.6	27%	0.266	25%	0.245	S	C	.	.	H	α-helix	trans	-70.5	-44.4	-174.4	-59.1	179	77.4	0	0	110.9	Q339 A340 E341 R401	M337-Q339 PolarHBondContact O-N 3.23Å; M337-A340 PolarHBondContact O-N 3.38Å; M337-A340 VanDerWaalsContact O-N 3.15Å; M337-E341 WeakPolarHBondContact O-CB 3.44Å; M337-E341 VanDerWaalsContact O-CG 3.28Å; M337-E341 WeakPolarHBondContact O-CG 3.36Å; M337-E341 PolarHBondContact O-N 3.27Å; M337-R401 HydrophobicContact CB-CB 4.15Å; M337-R401 HydrophobicContact CG-CB 4.48Å; M337-R401 PolarHBondContact N-O 2.87Å; M337-R401 HydrophobicContact SD-CB 4.22Å
338	D	90.2	Very high	88.5	Confident	37 Å²	37	52.5 Å²	52.5	20%	0.198	25%	0.252	C	S	.	.	H	α-helix	trans	-65.2	-21.7	177.6	-71	-63.1	0	0	0	113.4	N336 R342 E400 R401	N336-D338 PolarHBondContact OD1-N 3.19Å; D338-R342 PolarHBondContact O-NH2 3.41Å; D338-E400 HydrophobicContact CB-CB 4.5Å; D338-E400 WeakPolarHBondContact OD2-CA 3.4Å; D338-R401 IonicContact OD1-CZ 3.24Å; D338-R401 VanDerWaalsContact OD1-CZ 3.24Å; D338-R401 IonicContact OD1-NH1 2.68Å; D338-R401 PolarHBondContact OD1-NH1 3.48Å; D338-R401 IonicContact OD1-NH2 3.06Å; D338-R401 PolarHBondContact OD1-NH2 3.39Å; D338-R401 VanDerWaalsContact OD1-NH2 3.12Å; D338-R401 IonicContact OD2-CZ 3.7Å; D338-R401 PolarHBondContact OD2-N 3.13Å; D338-R401 IonicContact OD2-NH1 3.14Å; D338-R401 PolarHBondContact OD2-NH1 3.31Å; D338-R401 VanDerWaalsContact OD2-NH1 3.14Å
339	Q	90.9	Very high	86.7	Confident	69 Å²	69	57.3 Å²	57.3	32%	0.322	29%	0.286	S	S	.	.	H	α-helix	trans	-82	-48.3	169.5	-176.8	171.2	-9.1	0	0	111.3	N336 M337 E341 R342 E343	N336-Q339 HydrophobicContact CB-CB 3.83Å; N336-Q339 PolarHBondContact O-N 3.12Å; N336-Q339 PolarHBondContact OD1-N 3.48Å; N336-Q339 VanDerWaalsContact OD1-N 3.12Å; M337-Q339 PolarHBondContact O-N 3.23Å; Q339-E341 VanDerWaalsContact C-N 3.33Å; Q339-E341 PolarHBondContact O-N 3.26Å; Q339-R342 WeakPolarHBondContact O-CB 3.28Å; Q339-R342 PolarHBondContact O-N 3.47Å; Q339-E343 HydrophobicContact CG-CG 4.31Å; Q339-E343 WeakPolarHBondContact CG-OE1 3.41Å; Q339-E343 PolarHBondContact NE2-OE1 2.76Å; Q339-E343 WeakPolarHBondContact O-CG 3.36Å; Q339-E343 PolarHBondContact O-N 3.28Å
340	A	89.1	Confident	84.7	Confident	9 Å²	9	66.4 Å²	66.4	7%	0.074	33%	0.328	C	S	.	.	H	α-helix	trans	-60.3	-39.9	179.3	0	0	0	0	0	112.9	N336 M337 R342 R344	N336-A340 WeakPolarHBondContact O-CB 3.18Å; N336-A340 PolarHBondContact O-N 2.93Å; M337-A340 PolarHBondContact O-N 3.38Å; M337-A340 VanDerWaalsContact O-N 3.15Å; A340-R342 VanDerWaalsContact C-N 3.31Å; A340-R342 PolarHBondContact O-N 3.18Å; A340-R344 WeakPolarHBondContact O-CB 3.26Å; A340-R344 VanDerWaalsContact O-CG 3.28Å; A340-R344 WeakPolarHBondContact O-CG 3.25Å; A340-R344 PolarHBondContact O-N 3.02Å
341	E	87.9	Confident	82	Confident	79 Å²	79	69.3 Å²	69.3	37%	0.369	36%	0.359	S	S	.	.	H	α-helix	trans	-60.6	-39.7	173.8	-73.9	166.5	-149.5	0	0	111.6	M337 Q339 Q345 R401	M337-E341 WeakPolarHBondContact O-CB 3.44Å; M337-E341 VanDerWaalsContact O-CG 3.28Å; M337-E341 WeakPolarHBondContact O-CG 3.36Å; M337-E341 PolarHBondContact O-N 3.27Å; Q339-E341 VanDerWaalsContact C-N 3.33Å; Q339-E341 PolarHBondContact O-N 3.26Å; E341-Q345 VanDerWaalsContact O-CG 3.25Å; E341-Q345 WeakPolarHBondContact O-CG 3.27Å; E341-Q345 PolarHBondContact O-N 2.74Å; E341-Q345 PolarHBondContact O-NE2 3.37Å; E341-R401 IonicContact OE1-CZ 3.86Å; E341-R401 IonicContact OE1-NH2 3.94Å; E341-R401 PolarHBondContact OE1-NH2 2.8Å; E341-R401 IonicContact OE2-NH2 2.77Å; E341-R401 PolarHBondContact OE2-NH2 2.96Å
342	R	89.1	Confident	79.5	Confident	126 Å²	126	72.3 Å²	72.3	48%	0.475	39%	0.392	S	S	.	.	H	α-helix	trans	-73.9	-41	-179.6	-164.4	-177.4	-48.6	158.1	14.8	112.5	D338 Q339 A340 Q345 M346	D338-R342 PolarHBondContact O-NH2 3.41Å; Q339-R342 WeakPolarHBondContact O-CB 3.28Å; Q339-R342 PolarHBondContact O-N 3.47Å; A340-R342 VanDerWaalsContact C-N 3.31Å; A340-R342 PolarHBondContact O-N 3.18Å; R342-Q345 PolarHBondContact O-N 3.42Å; R342-M346 HydrophobicContact CG-CE 4.43Å; R342-M346 PolarHBondContact O-N 3.16Å
343	E	88.1	Confident	76.9	Confident	45 Å²	45	78.1 Å²	78.1	21%	0.21	43%	0.433	C	S	.	.	H	α-helix	trans	-63.4	-45.7	175.8	-70.4	175.9	179.1	0	0	110.4	R258 H260 Q339 Q345 M346 E347	R258-E343 IonicContact CZ-OE2 3.15Å; R258-E343 IonicContact NE-OE2 2.74Å; R258-E343 PolarHBondContact NE-OE2 3.06Å; R258-E343 IonicContact NH2-OE1 3.3Å; R258-E343 IonicContact NH2-OE2 2.63Å; R258-E343 PolarHBondContact NH2-OE2 2.92Å; H260-E343 IonicContact NE2-OE2 2.73Å; Q339-E343 HydrophobicContact CG-CG 4.31Å; Q339-E343 WeakPolarHBondContact CG-OE1 3.41Å; Q339-E343 PolarHBondContact NE2-OE1 2.76Å; Q339-E343 WeakPolarHBondContact O-CG 3.36Å; Q339-E343 PolarHBondContact O-N 3.28Å; E343-Q345 VanDerWaalsContact C-N 3.31Å; E343-Q345 PolarHBondContact O-N 3.42Å; E343-M346 PolarHBondContact O-N 3.32Å; E343-M346 VanDerWaalsContact O-N 3.13Å; E343-E347 WeakPolarHBondContact O-CG 3.29Å; E343-E347 PolarHBondContact O-N 3.43Å
344	R	84.8	Confident	74.5	Confident	187 Å²	187	85.2 Å²	85.2	71%	0.706	47%	0.47	S	S	*	.	H	α-helix	trans	-58.8	-36.4	173.8	-75.1	175.7	176	-172.2	0.5	113.6	A340 G348	A340-R344 WeakPolarHBondContact O-CB 3.26Å; A340-R344 VanDerWaalsContact O-CG 3.28Å; A340-R344 WeakPolarHBondContact O-CG 3.25Å; A340-R344 PolarHBondContact O-N 3.02Å; R344-G348 PolarHBondContact O-N 2.9Å
345	Q	84	Confident	71.8	Confident	134 Å²	134	91.4 Å²	91.4	63%	0.626	50%	0.499	S	S	*	.	H	α-helix	trans	-69.4	-34.4	176.9	-74.3	168.1	34.6	0	0	112.7	E341 R342 E343 S349	E341-Q345 VanDerWaalsContact O-CG 3.25Å; E341-Q345 WeakPolarHBondContact O-CG 3.27Å; E341-Q345 PolarHBondContact O-N 2.74Å; E341-Q345 PolarHBondContact O-NE2 3.37Å; R342-Q345 PolarHBondContact O-N 3.42Å; E343-Q345 VanDerWaalsContact C-N 3.31Å; E343-Q345 PolarHBondContact O-N 3.42Å; Q345-S349 PolarHBondContact O-OG 3.07Å
346	M	80.5	Confident	69.4	Low	137 Å²	137	99.9 Å²	99.9	68%	0.675	54%	0.536	S	S	*	.	H	α-helix	trans	-71.5	-46.5	174.8	-68	-178.2	175.5	0	0	111.3	R342 E343 S349	R342-M346 HydrophobicContact CG-CE 4.43Å; R342-M346 PolarHBondContact O-N 3.16Å; E343-M346 PolarHBondContact O-N 3.32Å; E343-M346 VanDerWaalsContact O-N 3.13Å; M346-S349 WeakPolarHBondContact O-CB 3.47Å; M346-S349 PolarHBondContact O-N 3.46Å
347	E	74.8	Confident	66.6	Low	124 Å²	124	107.8 Å²	107.8	58%	0.579	56%	0.564	S	S	*	*	H	α-helix	trans	-63.7	-42.5	178	-68.5	171.3	175.9	0	0	111.7	E343 S349 Q350	E343-E347 WeakPolarHBondContact O-CG 3.29Å; E343-E347 PolarHBondContact O-N 3.43Å; E347-S349 PolarHBondContact O-N 3.12Å; E347-Q350 PolarHBondContact O-N 3.22Å
348	G	58.2	Low	64	Low	54 Å²	54	110.6 Å²	110.6	56%	0.557	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-6.5	177.8	0	0	0	0	0	115.5	R344 Q350	R344-G348 PolarHBondContact O-N 2.9Å; G348-Q350 VanDerWaalsContact C-N 3.34Å
349	S	56	Low	61.6	Low	101 Å²	101	115.2 Å²	115.2	71%	0.706	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-0.6	178.3	-62.6	0	0	0	0	114.2	Q345 M346 E347	Q345-S349 PolarHBondContact O-OG 3.07Å; M346-S349 WeakPolarHBondContact O-CB 3.47Å; M346-S349 PolarHBondContact O-N 3.46Å; E347-S349 PolarHBondContact O-N 3.12Å
350	Q	52.4	Low	58.8	Low	191 Å²	191	115.3 Å²	115.3	89%	0.893	63%	0.629	S	S	*	*	S	Bend	trans	-120.2	-0.3	-178.4	-71.2	-170	-21	0	0	115.5	E347 G348	E347-Q350 PolarHBondContact O-N 3.22Å; G348-Q350 VanDerWaalsContact C-N 3.34Å
351	G	39.4	Very low	56.5	Low	63 Å²	63	122.3 Å²	122.3	65%	0.649	66%	0.66	S	S	*	*			trans	-126.5	117.3	-178.1	0	0	0	0	0	113.2
352	G	42.9	Very low	54.3	Low	71 Å²	71	123.8 Å²	123.8	73%	0.732	67%	0.667	S	S	*	*			trans	-91.5	165.1	170.7	0	0	0	0	0	113
353	S	40.2	Very low	52.1	Low	122 Å²	122	122.2 Å²	122.2	85%	0.853	66%	0.664	S	S	*	*	S	Bend	trans	57.4	93.7	173.9	50.3	0	0	0	0	117.8
354	D	44.7	Very low	50.1	Low	149 Å²	149	120.8 Å²	120.8	80%	0.797	66%	0.659	S	S	*	*				45.9	94	121.7	-158.5	16.8	0	0	0	119.8
355	E	38	Very low	48.2	Very low	134 Å²	134	116.9 Å²	116.9	63%	0.626	65%	0.652	S	S	*	*				-139.9	98.8	127.9	-134	-148.9	117.6	0	0	109.8	R357	E355-R357 VanDerWaalsContact CD-NE 3.27Å; E355-R357 PolarHBondContact O-N 3.14Å; E355-R357 WeakPolarHBondContact OE1-CG 3.39Å; E355-R357 IonicContact OE1-CZ 2.71Å; E355-R357 IonicContact OE1-NE 2.78Å; E355-R357 PolarHBondContact OE1-NE 2.99Å; E355-R357 IonicContact OE1-NH2 2.66Å; E355-R357 PolarHBondContact OE1-NH2 3.36Å; E355-R357 IonicContact OE2-CZ 3.12Å; E355-R357 IonicContact OE2-NE 3.51Å; E355-R357 PolarHBondContact OE2-NE 3Å; E355-R357 IonicContact OE2-NH2 2.68Å; E355-R357 PolarHBondContact OE2-NH2 3.21Å
356	K	43.1	Very low	46.7	Very low	201 Å²	201	111.8 Å²	111.8	87%	0.874	63%	0.627	S	S	*	*			trans	-77	63.8	175.7	-123.6	-169	-173.6	-172.6	0	111.9	P358	K356-P358 WeakPolarHBondContact O-CD 3.31Å
357	R	34	Very low	45.3	Very low	176 Å²	176	105.9 Å²	105.9	66%	0.664	60%	0.599	S	S	*	*			trans	-63.7	126.4	165.1	-66.7	-166.9	-173.8	176.9	11.6	108.9	E355 V359	E355-R357 VanDerWaalsContact CD-NE 3.27Å; E355-R357 PolarHBondContact O-N 3.14Å; E355-R357 WeakPolarHBondContact OE1-CG 3.39Å; E355-R357 IonicContact OE1-CZ 2.71Å; E355-R357 IonicContact OE1-NE 2.78Å; E355-R357 PolarHBondContact OE1-NE 2.99Å; E355-R357 IonicContact OE1-NH2 2.66Å; E355-R357 PolarHBondContact OE1-NH2 3.36Å; E355-R357 IonicContact OE2-CZ 3.12Å; E355-R357 IonicContact OE2-NE 3.51Å; E355-R357 PolarHBondContact OE2-NE 3Å; E355-R357 IonicContact OE2-NH2 2.68Å; E355-R357 PolarHBondContact OE2-NH2 3.21Å; R357-V359 PolarHBondContact O-N 3.42Å
358	P	34.8	Very low	44.3	Very low	113 Å²	113	100.1 Å²	100.1	73%	0.734	57%	0.572	S	S	*	*			trans	-64.1	124	163.2	27.9	-31.1	0	0	0	107.5	K356 A360	K356-P358 WeakPolarHBondContact O-CD 3.31Å; P358-A360 PolarHBondContact O-N 2.86Å
359	V	40.2	Very low	44.2	Very low	134 Å²	134	97.6 Å²	97.6	81%	0.812	55%	0.547	S	S	*	.			trans	-74.6	73.2	166.1	-177.6	0	0	0	0	107	R357 Q361	R357-V359 PolarHBondContact O-N 3.42Å; V359-Q361 PolarHBondContact O-N 3.18Å
360	A	33.5	Very low	43.7	Very low	72 Å²	72	93.9 Å²	93.9	60%	0.595	52%	0.518	S	S	*	.			trans	-72	114.7	-176.6	0	0	0	0	0	109.6	P358 Q362	P358-A360 PolarHBondContact O-N 2.86Å; A360-Q362 PolarHBondContact O-N 2.96Å
361	Q	40.4	Very low	43.4	Very low	155 Å²	155	93.5 Å²	93.5	72%	0.724	52%	0.516	S	S	*	.			trans	63.4	34.6	148.2	-57.2	177	-27.6	0	0	117.9	V359 K363	V359-Q361 PolarHBondContact O-N 3.18Å; Q361-K363 PolarHBondContact O-N 2.97Å
362	Q	40.7	Very low	43.5	Very low	110 Å²	110	91 Å²	91	51%	0.514	49%	0.49	S	S	.	.			trans	-77.3	71.8	144	-80.5	-163.2	-72.6	0	0	109.3	D193 V256 A360	D193-Q362 PolarHBondContact O-NE2 2.93Å; V256-Q362 HydrophobicContact CG2-CB 4.03Å; A360-Q362 PolarHBondContact O-N 2.96Å
363	K	42.9	Very low	43.7	Very low	94 Å²	94	88 Å²	88	41%	0.409	46%	0.456	S	S	.	.			trans	-68	133.3	167.4	-69.4	-171.4	173.3	-159	0	108	Q361 L365 D386	Q361-K363 PolarHBondContact O-N 2.97Å; K363-L365 HydrophobicContact CB-CD2 3.67Å; K363-L365 HydrophobicContact CB-CG 3.83Å; K363-L365 HydrophobicContact CD-CD2 4.06Å; K363-L365 HydrophobicContact CG-CD2 4.48Å; K363-L365 PolarHBondContact O-N 2.89Å; K363-D386 WeakPolarHBondContact CE-OD1 3.21Å; K363-D386 IonicContact NZ-OD1 2.71Å; K363-D386 PolarHBondContact NZ-OD1 2.89Å
364	A	46.5	Very low	43.8	Very low	14 Å²	14	87.1 Å²	87.1	12%	0.116	44%	0.439	C	S	.	.			trans	-77.8	60.8	171.4	0	0	0	0	0	111	P254 Y366 S367	P254-A364 HydrophobicContact CB-CB 4.33Å; P254-A364 HydrophobicContact CG-CB 3.74Å; A364-Y366 PolarHBondContact O-N 2.93Å; A364-S367 PolarHBondContact O-N 2.92Å; A364-S367 VanDerWaalsContact O-N 3.12Å
365	L	45.9	Very low	43.3	Very low	106 Å²	106	82.6 Å²	82.6	56%	0.555	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-30.1	-169.7	-65.8	172.3	0	0	0	113.6	K363	K363-L365 HydrophobicContact CB-CD2 3.67Å; K363-L365 HydrophobicContact CB-CG 3.83Å; K363-L365 HydrophobicContact CD-CD2 4.06Å; K363-L365 HydrophobicContact CG-CD2 4.48Å; K363-L365 PolarHBondContact O-N 2.89Å
366	Y	50.6	Low	43.3	Very low	26 Å²	26	81 Å²	81	10%	0.102	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	6	-171.7	-45	-60.5	0	0	0	114.3	F159 I161 E195 N250 A364	F159-Y366 WeakPolarHBondContact O-CE1 3.37Å; I161-Y366 HydrophobicContact CD1-CD1 4.07Å; I161-Y366 HydrophobicContact CD1-CE1 4.13Å; I161-Y366 HydrophobicContact CD1-CG 4.42Å; I161-Y366 HydrophobicContact CG1-CD1 3.8Å; I161-Y366 HydrophobicContact CG1-CE1 3.34Å; I161-Y366 HydrophobicContact CG1-CE2 4.17Å; I161-Y366 HydrophobicContact CG1-CG 4.4Å; E195-Y366 HydrophobicContact CB-CD2 4.31Å; E195-Y366 HydrophobicContact CG-CD2 4.46Å; E195-Y366 WeakPolarHBondContact OE1-CE2 3.4Å; E195-Y366 WeakPolarHBondContact OE2-CE2 3.5Å; N250-Y366 PolarHBondContact ND2-O 3.11Å; A364-Y366 PolarHBondContact O-N 2.93Å
367	S	52.5	Low	42.9	Very low	13 Å²	13	75.2 Å²	75.2	9%	0.091	44%	0.437	C	S	.	.	S	Bend	trans	-83.4	147.1	166.3	-165.6	0	0	0	0	111	V252 A364 A369 Y405	V252-S367 PolarHBondContact O-OG 3.06Å; A364-S367 PolarHBondContact O-N 2.92Å; A364-S367 VanDerWaalsContact O-N 3.12Å; S367-A369 VanDerWaalsContact C-N 3.25Å; S367-A369 PolarHBondContact O-N 3.04Å; S367-Y405 WeakPolarHBondContact OG-CD1 3.39Å
368	T	53.5	Low	43.2	Very low	3 Å²	3	72 Å²	72	2%	0.018	45%	0.448	C	S	.	.	S	Bend	trans	-76.3	6.6	-148.6	-23.8	0	0	0	0	116.5	L227 S372 I406	L227-T368 HydrophobicContact CD2-CG2 3.89Å; T368-S372 WeakPolarHBondContact O-CB 3.48Å; T368-S372 PolarHBondContact O-OG 3.27Å; T368-I406 WeakPolarHBondContact CB-O 3.36Å; T368-I406 PolarHBondContact OG1-O 3.24Å
369	A	54.9	Low	43	Very low	2 Å²	2	72.2 Å²	72.2	2%	0.017	45%	0.451	C	S	.	.	S	Bend	trans	-121.4	9.1	-132.6	0	0	0	0	0	117.7	S367 G390 G391 I392	S367-A369 VanDerWaalsContact C-N 3.25Å; S367-A369 PolarHBondContact O-N 3.04Å; A369-G390 CarbonylContact C-O 3.55Å; A369-G390 WeakPolarHBondContact CA-O 3.42Å; A369-G390 WeakPolarHBondContact CB-O 3.33Å; A369-G390 PolarHBondContact N-O 3.04Å; A369-G391 CarbonylContact O-C 3.56Å; A369-I392 HydrophobicContact CB-CG1 3.83Å; A369-I392 WeakPolarHBondContact O-CG1 3.11Å; A369-I392 PolarHBondContact O-N 3.45Å
370	M	47.4	Very low	42.7	Very low	22 Å²	22	70.1 Å²	70.1	11%	0.108	46%	0.456	C	S	.	.	S	Bend	trans	-136	-59	168.4	-83	-154.4	69.4	0	0	117.1	S372 I373 Q374 T388 G390 G391	M370-S372 PolarHBondContact O-N 2.88Å; M370-S372 VanDerWaalsContact O-N 3.08Å; M370-I373 PolarHBondContact O-N 3.34Å; M370-Q374 VanDerWaalsContact CE-CD 3.42Å; M370-Q374 HydrophobicContact CE-CG 4.4Å; M370-Q374 PolarHBondContact O-N 2.9Å; M370-T388 WeakPolarHBondContact SD-CB 3.44Å; M370-T388 HydrophobicContact SD-CG2 3.83Å; M370-T388 PolarHBondContact SD-OG1 2.92Å; M370-G390 PolarHBondContact N-O 2.88Å; M370-G391 WeakPolarHBondContact CG-O 3.42Å
371	E	44.6	Very low	42.5	Very low	183 Å²	183	69.9 Å²	69.9	86%	0.855	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-27	179.9	-60	-171.4	166.5	0	0	111.8	R225 I373	R225-E371 PolarHBondContact NH2-O 3.49Å; E371-I373 VanDerWaalsContact C-N 3.29Å; E371-I373 PolarHBondContact O-N 3.19Å
372	S	41.1	Very low	42	Very low	12 Å²	12	67.7 Å²	67.7	8%	0.084	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-12.1	173.3	-55.5	0	0	0	0	114.9	R225 T368 M370	R225-S372 WeakPolarHBondContact CB-O 3.36Å; R225-S372 WeakPolarHBondContact CD-O 3.3Å; R225-S372 WeakPolarHBondContact CG-O 3.13Å; R225-S372 PolarHBondContact NE-O 3.33Å; T368-S372 WeakPolarHBondContact O-CB 3.48Å; T368-S372 PolarHBondContact O-OG 3.27Å; M370-S372 PolarHBondContact O-N 2.88Å; M370-S372 VanDerWaalsContact O-N 3.08Å
373	I	48.5	Very low	42.1	Very low	7 Å²	7	68.5 Å²	68.5	4%	0.036	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	-43.6	-170.4	-52.7	-168.8	0	0	0	114	R225 T305 A308 M309 M370 E371 G375 I392	R225-I373 PolarHBondContact NH1-O 3.38Å; T305-I373 HydrophobicContact CG2-CG2 4.03Å; A308-I373 HydrophobicContact CB-CG2 3.7Å; M309-I373 HydrophobicContact CB-CD1 4.24Å; M370-I373 PolarHBondContact O-N 3.34Å; E371-I373 VanDerWaalsContact C-N 3.29Å; E371-I373 PolarHBondContact O-N 3.19Å; I373-G375 PolarHBondContact O-N 3.5Å; I373-I392 HydrophobicContact CD1-CD1 3.43Å; I373-I392 VanDerWaalsContact CD1-CD1 3.43Å; I373-I392 HydrophobicContact CD1-CG1 3.85Å
374	Q	41.6	Very low	41.8	Very low	103 Å²	103	69.1 Å²	69.1	48%	0.481	48%	0.477	S	S	.	.			trans	-72.4	118.5	-177.9	-69.1	-175.3	-17	0	0	111.6	R225 M370	R225-Q374 PolarHBondContact NH2-O 2.71Å; M370-Q374 VanDerWaalsContact CE-CD 3.42Å; M370-Q374 HydrophobicContact CE-CG 4.4Å; M370-Q374 PolarHBondContact O-N 2.9Å
375	G	34	Very low	41.7	Very low	55 Å²	55	73.8 Å²	73.8	57%	0.567	50%	0.504	S	S	*	.			trans	-75.5	156.7	175.6	0	0	0	0	0	111.8	I373 A377	I373-G375 PolarHBondContact O-N 3.5Å; G375-A377 PolarHBondContact O-N 2.9Å
376	G	37.7	Very low	41.5	Very low	101 Å²	101	73.7 Å²	73.7	100%	1.041	50%	0.504	S	S	*	.	S	Bend	trans	-70	68.7	179.2	0	0	0	0	0	114
377	A	36.1	Very low	41.5	Very low	78 Å²	78	78.2 Å²	78.2	65%	0.645	53%	0.53	S	S	*	.			trans	-114.6	106.1	177.8	0	0	0	0	0	110.2	G375 C379	G375-A377 PolarHBondContact O-N 2.9Å; A377-C379 VanDerWaalsContact C-N 3.34Å; A377-C379 PolarHBondContact O-N 3.41Å
378	A	39.2	Very low	41.6	Very low	110 Å²	110	78.3 Å²	78.3	91%	0.909	53%	0.53	S	S	*	.			trans	-75.3	81.4	179.8	0	0	0	0	0	111.5
379	C	30.9	Very low	41.8	Very low	117 Å²	117	81.2 Å²	81.2	79%	0.791	55%	0.545	S	S	*	.			trans	-125.1	70.3	-177.4	-80.5	0	0	0	0	113.2	A377 G381	A377-C379 VanDerWaalsContact C-N 3.34Å; A377-C379 PolarHBondContact O-N 3.41Å; C379-G381 PolarHBondContact O-N 2.9Å
380	G	34.5	Very low	42.5	Very low	90 Å²	90	82.2 Å²	82.2	93%	0.928	56%	0.555	S	S	*	*	S	Bend	trans	42.7	63.1	148.5	0	0	0	0	0	119.2
381	G	29.1	Very low	44.1	Very low	67 Å²	67	81.1 Å²	81.1	69%	0.691	55%	0.549	S	S	*	.			trans	-167.1	103.6	167.1	0	0	0	0	0	111.4	C379 I383	C379-G381 PolarHBondContact O-N 2.9Å; G381-I383 VanDerWaalsContact C-N 3.34Å; G381-I383 PolarHBondContact O-N 2.9Å
382	S	30.2	Very low	46.2	Very low	109 Å²	109	72.6 Å²	72.6	76%	0.762	51%	0.509	S	S	*	.			trans	-77.2	84.1	177.1	55	0	0	0	0	110.5
383	I	42.1	Very low	48.6	Very low	126 Å²	126	74.1 Å²	74.1	65%	0.646	52%	0.519	S	S	*	.			trans	-79.2	111.5	147.1	-64.6	174.8	0	0	0	104.5	G381 T385 T388	G381-I383 VanDerWaalsContact C-N 3.34Å; G381-I383 PolarHBondContact O-N 2.9Å; I383-T385 PolarHBondContact O-N 3.4Å; I383-T388 HydrophobicContact CG2-CG2 3.98Å
384	D	36.9	Very low	50.8	Low	107 Å²	107	74.2 Å²	74.2	57%	0.572	52%	0.521	S	S	*	.			trans	-64.8	129.8	-179.5	-77.9	-58.3	0	0	0	110.2	D386 D387	D384-D386 PolarHBondContact O-N 3.1Å; D384-D387 PolarHBondContact O-N 2.82Å; D384-D387 VanDerWaalsContact O-N 3.12Å
385	T	43.4	Very low	53.2	Low	112 Å²	112	72.1 Å²	72.1	69%	0.687	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-0	-172.1	-15.3	0	0	0	0	114.2	I383	I383-T385 PolarHBondContact O-N 3.4Å
386	D	43.1	Very low	56	Low	104 Å²	104	70.1 Å²	70.1	56%	0.556	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-31.6	174.5	-117.5	31.5	0	0	0	111.8	K363 D384 T388	K363-D386 WeakPolarHBondContact CE-OD1 3.21Å; K363-D386 IonicContact NZ-OD1 2.71Å; K363-D386 PolarHBondContact NZ-OD1 2.89Å; D384-D386 PolarHBondContact O-N 3.1Å; D386-T388 PolarHBondContact O-N 3.22Å
387	D	49.6	Very low	58.4	Low	122 Å²	122	67.5 Å²	67.5	65%	0.652	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-27.4	-174.6	-87.6	-18.5	0	0	0	113.6	D384	D384-D387 PolarHBondContact O-N 2.82Å; D384-D387 VanDerWaalsContact O-N 3.12Å
388	T	54.4	Low	60.8	Low	15 Å²	15	71.8 Å²	71.8	9%	0.092	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-5.7	-173	49.5	0	0	0	0	114.1	M370 I383 D386 G390 G391 L403 Y405	M370-T388 WeakPolarHBondContact SD-CB 3.44Å; M370-T388 HydrophobicContact SD-CG2 3.83Å; M370-T388 PolarHBondContact SD-OG1 2.92Å; I383-T388 HydrophobicContact CG2-CG2 3.98Å; D386-T388 PolarHBondContact O-N 3.22Å; T388-G390 PolarHBondContact O-N 3.24Å; T388-G391 PolarHBondContact O-N 2.98Å; T388-L403 WeakPolarHBondContact O-CD1 3.21Å; T388-L403 WeakPolarHBondContact O-CD2 3.47Å; T388-Y405 PolarHBondContact O-OH 3.35Å
389	M	59.6	Low	63.2	Low	64 Å²	64	69 Å²	69	32%	0.315	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	22.1	177.6	-56.7	-175.4	74.2	0	0	115.2	V256 V257 Y405	V256-M389 HydrophobicContact CG1-CE 4.11Å; V256-M389 HydrophobicContact CG2-CE 4Å; V257-M389 HydrophobicContact CG2-CB 4.05Å; V257-M389 HydrophobicContact CG2-CE 3.75Å; V257-M389 HydrophobicContact CG2-SD 3.98Å; M389-Y405 PolarHBondContact O-OH 3.26Å
390	G	69.3	Low	66.1	Low	22 Å²	22	65.2 Å²	65.2	23%	0.227	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	4.7	-177.2	0	0	0	0	0	116.5	A369 M370 T388	A369-G390 CarbonylContact C-O 3.55Å; A369-G390 WeakPolarHBondContact CA-O 3.42Å; A369-G390 WeakPolarHBondContact CB-O 3.33Å; A369-G390 PolarHBondContact N-O 3.04Å; M370-G390 PolarHBondContact N-O 2.88Å; T388-G390 PolarHBondContact O-N 3.24Å
391	G	81.3	Confident	68.9	Low	0 Å²	0	65.9 Å²	65.9	0%	0	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-92.4	158.7	-178.2	0	0	0	0	0	116.1	A369 M370 T388 L403 Y405	A369-G391 CarbonylContact O-C 3.56Å; M370-G391 WeakPolarHBondContact CG-O 3.42Å; T388-G391 PolarHBondContact O-N 2.98Å; G391-L403 VanDerWaalsContact C-CD1 3.49Å; G391-L403 WeakPolarHBondContact O-CD1 3.28Å; G391-Y405 PolarHBondContact N-OH 3.34Å
392	I	88.6	Confident	72	Confident	3 Å²	3	63 Å²	63	2%	0.015	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	123.5	177.4	-50.5	173.6	0	0	0	109.9	L301 T305 A369 I373 L403 L404 I406	L301-I392 HydrophobicContact CD2-CG2 3.76Å; T305-I392 HydrophobicContact CG2-CG2 3.37Å; A369-I392 HydrophobicContact CB-CG1 3.83Å; A369-I392 WeakPolarHBondContact O-CG1 3.11Å; A369-I392 PolarHBondContact O-N 3.45Å; I373-I392 HydrophobicContact CD1-CD1 3.43Å; I373-I392 VanDerWaalsContact CD1-CD1 3.43Å; I373-I392 HydrophobicContact CD1-CG1 3.85Å; I392-L403 CarbonylContact O-C 3.57Å; I392-L403 WeakPolarHBondContact O-CA 3.24Å; I392-L404 HydrophobicContact CB-CB 4.23Å; I392-L404 PolarHBondContact N-O 2.98Å; I392-L404 PolarHBondContact O-N 3.09Å; I392-I406 HydrophobicContact CD1-CD1 3.47Å; I392-I406 VanDerWaalsContact CD1-CD1 3.47Å; I392-I406 HydrophobicContact CD1-CG1 3.7Å
393	P	91.3	Very high	74.9	Confident	45 Å²	45	58 Å²	58	29%	0.292	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	136.1	174.5	29.1	-34.4	0	0	0	111.9	L301	L301-P393 WeakPolarHBondContact CD2-O 3.34Å
394	A	93.3	Very high	77.4	Confident	8 Å²	8	52 Å²	52	7%	0.066	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	172.3	-178.5	0	0	0	0	0	112.3	M300 L301 L402 L404	M300-A394 CarbonylContact O-C 3.42Å; M300-A394 VanDerWaalsContact O-CA 3.31Å; M300-A394 WeakPolarHBondContact O-CA 3.33Å; M300-A394 WeakPolarHBondContact O-CB 3.43Å; L301-A394 HydrophobicContact CD2-CB 3.75Å; A394-L402 HydrophobicContact CB-CB 4.14Å; A394-L402 PolarHBondContact N-O 3.08Å; A394-L402 PolarHBondContact O-N 3.4Å; A394-L402 VanDerWaalsContact O-O 3.13Å; A394-L404 HydrophobicContact CB-CD1 3.47Å; A394-L404 VanDerWaalsContact CB-CD1 3.47Å; A394-L404 HydrophobicContact CB-CD2 4.13Å; A394-L404 HydrophobicContact CB-CG 3.64Å
395	V	93.1	Very high	80.1	Confident	60 Å²	60	47 Å²	47	36%	0.364	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	142.6	176.1	-172.7	0	0	0	0	109.8	M300 E400	M300-V395 WeakPolarHBondContact CA-O 3.29Å; M300-V395 HydrophobicContact CB-CB 4.27Å; M300-V395 WeakPolarHBondContact CB-O 3.42Å; M300-V395 PolarHBondContact N-O 3.38Å; M300-V395 PolarHBondContact O-N 2.7Å; V395-E400 WeakPolarHBondContact CA-O 3.42Å
396	N	92.4	Very high	82.4	Confident	12 Å²	12	41.7 Å²	41.7	6%	0.064	24%	0.239	C	C	.	.			trans	-91.7	174.9	173.7	68.3	17	0	0	0	113	M295 K398 G399 E400 L402	M295-N396 HydrophobicContact CE-CB 3.73Å; N396-K398 PolarHBondContact O-N 3.47Å; N396-K398 WeakPolarHBondContact OD1-CA 3.36Å; N396-K398 WeakPolarHBondContact OD1-CB 3.44Å; N396-K398 PolarHBondContact OD1-N 2.73Å; N396-G399 PolarHBondContact O-N 2.91Å; N396-G399 PolarHBondContact OD1-N 3.17Å; N396-E400 PolarHBondContact N-O 3.49Å; N396-E400 PolarHBondContact ND2-OE2 3.42Å; N396-E400 PolarHBondContact OD1-N 2.66Å; N396-L402 HydrophobicContact CB-CD1 3.86Å; N396-L402 HydrophobicContact CB-CG 4.48Å
397	G	87.8	Confident	84.9	Confident	46 Å²	46	36.8 Å²	36.8	47%	0.474	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-14.9	176.8	0	0	0	0	0	115.6
398	K	87.8	Confident	87.1	Confident	168 Å²	168	31 Å²	31	73%	0.73	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-12.5	175.1	-52.2	172.8	-172.3	165.4	0	113.4	N396 E400	N396-K398 PolarHBondContact O-N 3.47Å; N396-K398 WeakPolarHBondContact OD1-CA 3.36Å; N396-K398 WeakPolarHBondContact OD1-CB 3.44Å; N396-K398 PolarHBondContact OD1-N 2.73Å; K398-E400 HydrophobicContact CB-CG 4.21Å; K398-E400 IonicContact NZ-OE2 3.13Å
399	G	88.3	Confident	88.9	Confident	52 Å²	52	30.8 Å²	30.8	54%	0.536	18%	0.18	S	C	.	.			trans	89.3	8.7	-173.7	0	0	0	0	0	115.5	N396	N396-G399 PolarHBondContact O-N 2.91Å; N396-G399 PolarHBondContact OD1-N 3.17Å
400	E	92.3	Very high	90.3	Very high	38 Å²	38	28.9 Å²	28.9	18%	0.178	17%	0.172	C	C	.	.			trans	-75.1	139.4	178.9	-59.5	171	147.2	0	0	110.8	N336 D338 V395 N396 K398 L402	N336-E400 PolarHBondContact ND2-OE2 3.13Å; D338-E400 HydrophobicContact CB-CB 4.5Å; D338-E400 WeakPolarHBondContact OD2-CA 3.4Å; V395-E400 WeakPolarHBondContact CA-O 3.42Å; N396-E400 PolarHBondContact N-O 3.49Å; N396-E400 PolarHBondContact ND2-OE2 3.42Å; N396-E400 PolarHBondContact OD1-N 2.66Å; K398-E400 HydrophobicContact CB-CG 4.21Å; K398-E400 IonicContact NZ-OE2 3.13Å; E400-L402 PolarHBondContact O-N 3.08Å
401	R	93.2	Very high	91.4	Very high	104 Å²	104	28 Å²	28	39%	0.392	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	121.5	177.3	-69	-171.9	-53.3	-62.7	0.6	110.5	M337 D338 E341	M337-R401 HydrophobicContact CB-CB 4.15Å; M337-R401 HydrophobicContact CG-CB 4.48Å; M337-R401 PolarHBondContact N-O 2.87Å; M337-R401 HydrophobicContact SD-CB 4.22Å; D338-R401 IonicContact OD1-CZ 3.24Å; D338-R401 VanDerWaalsContact OD1-CZ 3.24Å; D338-R401 IonicContact OD1-NH1 2.68Å; D338-R401 PolarHBondContact OD1-NH1 3.48Å; D338-R401 IonicContact OD1-NH2 3.06Å; D338-R401 PolarHBondContact OD1-NH2 3.39Å; D338-R401 VanDerWaalsContact OD1-NH2 3.12Å; D338-R401 IonicContact OD2-CZ 3.7Å; D338-R401 PolarHBondContact OD2-N 3.13Å; D338-R401 IonicContact OD2-NH1 3.14Å; D338-R401 PolarHBondContact OD2-NH1 3.31Å; D338-R401 VanDerWaalsContact OD2-NH1 3.14Å; E341-R401 IonicContact OE1-CZ 3.86Å; E341-R401 IonicContact OE1-NH2 3.94Å; E341-R401 PolarHBondContact OE1-NH2 2.8Å; E341-R401 IonicContact OE2-NH2 2.77Å; E341-R401 PolarHBondContact OE2-NH2 2.96Å
402	L	93.6	Very high	91.8	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.031	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	153.2	178.1	-59	-173.1	0	0	0	111.5	L299 V334 H335 N336 A394 N396 E400 L404	L299-L402 HydrophobicContact CD2-CD1 3.4Å; V334-L402 HydrophobicContact CG1-CB 4.32Å; V334-L402 HydrophobicContact CG1-CD1 3.78Å; V334-L402 HydrophobicContact CG1-CD2 3.86Å; V334-L402 HydrophobicContact CG1-CG 4.21Å; H335-L402 CarbonylContact O-C 3.54Å; H335-L402 WeakPolarHBondContact O-CA 3.22Å; N336-L402 HydrophobicContact CB-CD2 3.63Å; A394-L402 HydrophobicContact CB-CB 4.14Å; A394-L402 PolarHBondContact N-O 3.08Å; A394-L402 PolarHBondContact O-N 3.4Å; A394-L402 VanDerWaalsContact O-O 3.13Å; N396-L402 HydrophobicContact CB-CD1 3.86Å; N396-L402 HydrophobicContact CB-CG 4.48Å; E400-L402 PolarHBondContact O-N 3.08Å; L402-L404 HydrophobicContact CB-CD2 4.04Å; L402-L404 HydrophobicContact CD1-CD2 4.39Å
403	L	92.7	Very high	91.3	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.026	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	116.6	175.6	-173.2	69.9	0	0	0	107.5	H335 T388 G391 I392 Y405	H335-L403 HydrophobicContact CB-CB 4.2Å; H335-L403 PolarHBondContact N-O 2.99Å; H335-L403 PolarHBondContact O-N 3.07Å; T388-L403 WeakPolarHBondContact O-CD1 3.21Å; T388-L403 WeakPolarHBondContact O-CD2 3.47Å; G391-L403 VanDerWaalsContact C-CD1 3.49Å; G391-L403 WeakPolarHBondContact O-CD1 3.28Å; I392-L403 CarbonylContact O-C 3.57Å; I392-L403 WeakPolarHBondContact O-CA 3.24Å; L403-Y405 HydrophobicContact CB-CE2 4.44Å; L403-Y405 HydrophobicContact CD2-CE2 3.98Å; L403-Y405 VanDerWaalsContact CD2-OH 3.24Å; L403-Y405 WeakPolarHBondContact CD2-OH 3.39Å; L403-Y405 HydrophobicContact CG-CE2 3.77Å
404	L	93.6	Very high	90.4	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139	-166.5	-45.8	-179.5	0	0	0	111.9	L299 L301 L332 G333 V334 I392 A394 L402 F456	L299-L404 HydrophobicContact CB-CD1 4.37Å; L299-L404 HydrophobicContact CD1-CD1 3.91Å; L299-L404 HydrophobicContact CD1-CD2 4.22Å; L299-L404 HydrophobicContact CD2-CD2 4.18Å; L301-L404 HydrophobicContact CD2-CD1 4.16Å; L332-L404 HydrophobicContact CD1-CB 4.29Å; L332-L404 HydrophobicContact CD1-CD2 4.45Å; G333-L404 WeakPolarHBondContact O-CA 3.43Å; V334-L404 HydrophobicContact CB-CD2 4.35Å; V334-L404 HydrophobicContact CG1-CD2 3.95Å; V334-L404 HydrophobicContact CG2-CD2 4.07Å; I392-L404 HydrophobicContact CB-CB 4.23Å; I392-L404 PolarHBondContact N-O 2.98Å; I392-L404 PolarHBondContact O-N 3.09Å; A394-L404 HydrophobicContact CB-CD1 3.47Å; A394-L404 VanDerWaalsContact CB-CD1 3.47Å; A394-L404 HydrophobicContact CB-CD2 4.13Å; A394-L404 HydrophobicContact CB-CG 3.64Å; L402-L404 HydrophobicContact CB-CD2 4.04Å; L402-L404 HydrophobicContact CD1-CD2 4.39Å; L404-F456 HydrophobicContact CD1-CD1 4.4Å; L404-F456 HydrophobicContact CD1-CE1 4.01Å
405	Y	92.8	Very high	88.9	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	114.9	179.3	-66.1	-91.8	0	0	0	108	V257 M259 G333 H335 S367 T388 M389 G391 L403	V257-Y405 HydrophobicContact CB-CE2 4.4Å; V257-Y405 HydrophobicContact CG1-CD2 4.48Å; V257-Y405 HydrophobicContact CG1-CE2 3.71Å; V257-Y405 HydrophobicContact CG2-CE1 4.46Å; V257-Y405 HydrophobicContact CG2-CE2 4.42Å; M259-Y405 HydrophobicContact CE-CD1 4.39Å; M259-Y405 HydrophobicContact CE-CD2 3.55Å; M259-Y405 HydrophobicContact CE-CE2 4.1Å; M259-Y405 HydrophobicContact CE-CG 3.73Å; M259-Y405 HydrophobicContact SD-CD2 3.97Å; G333-Y405 PolarHBondContact N-O 3.14Å; G333-Y405 PolarHBondContact O-N 3.33Å; H335-Y405 HydrophobicContact CB-CE2 4.41Å; S367-Y405 WeakPolarHBondContact OG-CD1 3.39Å; T388-Y405 PolarHBondContact O-OH 3.35Å; M389-Y405 PolarHBondContact O-OH 3.26Å; G391-Y405 PolarHBondContact N-OH 3.34Å; L403-Y405 HydrophobicContact CB-CE2 4.44Å; L403-Y405 HydrophobicContact CD2-CE2 3.98Å; L403-Y405 VanDerWaalsContact CD2-OH 3.24Å; L403-Y405 WeakPolarHBondContact CD2-OH 3.39Å; L403-Y405 HydrophobicContact CG-CE2 3.77Å
406	I	93.8	Very high	87.2	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	149	-170.1	62.6	169.5	0	0	0	112.7	L227 M309 L330 L331 L332 T368 I392 F456	L227-I406 HydrophobicContact CD1-CD1 3.95Å; L227-I406 HydrophobicContact CD2-CD1 3.93Å; L227-I406 HydrophobicContact CD2-CG1 4.01Å; M309-I406 HydrophobicContact CG-CD1 4.15Å; M309-I406 HydrophobicContact SD-CD1 4.21Å; L330-I406 HydrophobicContact CD1-CB 4.46Å; L331-I406 VanDerWaalsContact O-CA 3.29Å; L331-I406 WeakPolarHBondContact O-CA 3.45Å; L332-I406 HydrophobicContact CB-CG2 4.41Å; L332-I406 HydrophobicContact CD1-CG2 3.59Å; T368-I406 WeakPolarHBondContact CB-O 3.36Å; T368-I406 PolarHBondContact OG1-O 3.24Å; I392-I406 HydrophobicContact CD1-CD1 3.47Å; I392-I406 VanDerWaalsContact CD1-CD1 3.47Å; I392-I406 HydrophobicContact CD1-CG1 3.7Å; I406-F456 HydrophobicContact CG2-CZ 4.12Å
407	G	94.3	Very high	85.2	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	145.8	172.1	0	0	0	0	0	111.3	L331	L331-G407 PolarHBondContact N-O 2.98Å; L331-G407 PolarHBondContact O-N 3.4Å; L331-G407 VanDerWaalsContact O-N 3.08Å
408	I	95.4	Very high	83.5	Confident	1 Å²	1	44 Å²	44	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	134.5	170.8	-55.5	173.8	0	0	0	107.9	L227 L228 P229 L313 D316 L320 Y328 S329 L330 I411 F447	L227-I408 HydrophobicContact CB-CD1 4.19Å; L227-I408 HydrophobicContact CB-CG1 4Å; L227-I408 PolarHBondContact O-N 2.88Å; L228-I408 HydrophobicContact CD2-CB 4.32Å; L228-I408 HydrophobicContact CD2-CD1 4.14Å; L228-I408 HydrophobicContact CD2-CG2 4.43Å; P229-I408 WeakPolarHBondContact CD-O 3.39Å; P229-I408 VanDerWaalsContact CG-O 3.28Å; P229-I408 WeakPolarHBondContact CG-O 2.89Å; L313-I408 HydrophobicContact CD1-CD1 4.16Å; D316-I408 HydrophobicContact CB-CD1 3.86Å; L320-I408 HydrophobicContact CD1-CD1 4.14Å; L320-I408 HydrophobicContact CD1-CG2 4.03Å; Y328-I408 HydrophobicContact CD2-CG2 3.8Å; Y328-I408 HydrophobicContact CG-CG2 4.21Å; S329-I408 CarbonylContact O-C 3.48Å; S329-I408 VanDerWaalsContact O-CA 3.29Å; S329-I408 WeakPolarHBondContact O-CA 3.43Å; L330-I408 HydrophobicContact CD1-CG1 3.93Å; I408-I411 HydrophobicContact CG2-CG2 3.75Å; I408-F447 HydrophobicContact CD1-CE1 4.48Å; I408-F447 HydrophobicContact CG1-CZ 4.4Å
409	I	92.6	Very high	81.7	Confident	10 Å²	10	40.5 Å²	40.5	5%	0.051	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	166.9	-173.8	66.8	108	0	0	0	112.4	V252 Y328 S329 L331 I411 I693	V252-I409 HydrophobicContact CG2-CG2 4.45Å; Y328-I409 WeakPolarHBondContact CA-O 3.34Å; Y328-I409 WeakPolarHBondContact CB-O 3.33Å; S329-I409 PolarHBondContact N-O 3.31Å; S329-I409 PolarHBondContact O-N 2.92Å; S329-I409 WeakPolarHBondContact OG-CD1 3.14Å; L331-I409 HydrophobicContact CB-CG1 4.3Å; L331-I409 HydrophobicContact CB-CG2 4.03Å; L331-I409 HydrophobicContact CD2-CG2 4.35Å; I409-I411 VanDerWaalsContact C-N 3.28Å; I409-I411 PolarHBondContact O-N 3.42Å; I409-I693 HydrophobicContact CD1-CD1 3.48Å; I409-I693 VanDerWaalsContact CD1-CD1 3.48Å; I409-I693 HydrophobicContact CD1-CG1 3.57Å; I409-I693 HydrophobicContact CG1-CD1 3.92Å
410	D	89.3	Confident	79.7	Confident	25 Å²	25	46.9 Å²	46.9	13%	0.134	21%	0.208	C	C	.	.			trans	57.2	30.8	179.8	-77.1	-5.5	0	0	0	116.2	K199 L412 S691	K199-D410 IonicContact NZ-OD1 3.57Å; K199-D410 PolarHBondContact NZ-OD1 3.09Å; K199-D410 IonicContact NZ-OD2 2.66Å; D410-L412 PolarHBondContact O-N 3.49Å; D410-S691 WeakPolarHBondContact OD2-CB 3.44Å; D410-S691 PolarHBondContact OD2-OG 3.15Å; D410-S691 VanDerWaalsContact OD2-OG 3.1Å
411	I	92.6	Very high	77.8	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.015	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	9.5	-178.5	70.4	160.5	0	0	0	115.8	L212 L228 P229 F231 L320 I325 I408 I409	L212-I411 HydrophobicContact CD2-CD1 4.18Å; L228-I411 HydrophobicContact CD2-CD1 4.34Å; L228-I411 HydrophobicContact CD2-CG2 4.33Å; P229-I411 HydrophobicContact CG-CD1 4.31Å; P229-I411 HydrophobicContact CG-CG1 4.16Å; F231-I411 HydrophobicContact CE2-CD1 4.04Å; F231-I411 HydrophobicContact CZ-CD1 4.07Å; F231-I411 HydrophobicContact CZ-CG1 4.1Å; L320-I411 HydrophobicContact CD2-CB 3.79Å; L320-I411 HydrophobicContact CD2-CD1 4.43Å; L320-I411 HydrophobicContact CD2-CG2 3.66Å; I325-I411 WeakPolarHBondContact CD1-O 3.45Å; I325-I411 HydrophobicContact CG2-CB 4.2Å; I325-I411 WeakPolarHBondContact CG2-O 3.37Å; I408-I411 HydrophobicContact CG2-CG2 3.75Å; I409-I411 VanDerWaalsContact C-N 3.28Å; I409-I411 PolarHBondContact O-N 3.42Å
412	L	89	Confident	75.6	Confident	12 Å²	12	46.7 Å²	46.7	6%	0.063	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	1.3	-176.3	-58.5	-172.9	0	0	0	114.1	V201 E205 F208 L209 F231 D410	V201-L412 HydrophobicContact CG1-CD1 4.06Å; E205-L412 HydrophobicContact CB-CB 4.02Å; E205-L412 HydrophobicContact CB-CD1 4.22Å; E205-L412 HydrophobicContact CG-CB 4.07Å; F208-L412 HydrophobicContact CD1-CD2 4.46Å; F208-L412 WeakPolarHBondContact CD1-O 3.32Å; L209-L412 HydrophobicContact CB-CD1 4.5Å; L209-L412 HydrophobicContact CB-CD2 3.91Å; L209-L412 HydrophobicContact CD1-CD2 4.12Å; L209-L412 HydrophobicContact CG-CD2 4.43Å; F231-L412 HydrophobicContact CZ-CD2 4.12Å; D410-L412 PolarHBondContact O-N 3.49Å
413	Q	79.1	Confident	73.4	Confident	66 Å²	66	53.1 Å²	53.1	31%	0.308	24%	0.244	S	C	.	.			trans	-94.4	101.2	-178	-63.4	-178.8	-3.1	0	0	110.6	M326 S691	M326-Q413 PolarHBondContact N-O 2.92Å; Q413-S691 PolarHBondContact NE2-OG 2.86Å; Q413-S691 VanDerWaalsContact NE2-OG 3.11Å
414	S	71.5	Confident	71.3	Confident	12 Å²	12	58 Å²	58	8%	0.084	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-101.3	128.9	-176.7	-173.7	0	0	0	0	113.5	F208 F323 R416 L417	F208-S414 VanDerWaalsContact CE2-CB 3.44Å; F208-S414 WeakPolarHBondContact CE2-OG 3.49Å; F323-S414 PolarHBondContact O-OG 2.86Å; S414-R416 PolarHBondContact O-N 3.04Å; S414-R416 VanDerWaalsContact O-N 3.15Å; S414-L417 PolarHBondContact O-N 3.48Å
415	Y	61.6	Low	69.2	Low	29 Å²	29	66.5 Å²	66.5	11%	0.114	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-19.1	-180	179.1	-121.5	0	0	0	114.3	K324 M326 L417 I418 K419 E422 V437 P440	K324-Y415 WeakPolarHBondContact O-CB 3.35Å; K324-Y415 PolarHBondContact O-N 3.1Å; M326-Y415 HydrophobicContact CE-CD2 3.52Å; M326-Y415 HydrophobicContact CE-CE2 4.19Å; M326-Y415 HydrophobicContact CE-CG 3.92Å; M326-Y415 HydrophobicContact SD-CD2 4.44Å; M326-Y415 HydrophobicContact SD-CG 4.33Å; Y415-L417 PolarHBondContact O-N 3.17Å; Y415-L417 VanDerWaalsContact O-N 3.15Å; Y415-I418 HydrophobicContact CD2-CB 4.06Å; Y415-I418 HydrophobicContact CD2-CD1 4.15Å; Y415-I418 HydrophobicContact CD2-CG2 4.23Å; Y415-I418 HydrophobicContact CE2-CB 4.32Å; Y415-I418 HydrophobicContact CE2-CG2 4Å; Y415-I418 PolarHBondContact O-N 3.16Å; Y415-I418 VanDerWaalsContact O-N 3.17Å; Y415-K419 HydrophobicContact CE1-CD 4.47Å; Y415-K419 HydrophobicContact CE1-CG 4.25Å; Y415-E422 PolarHBondContact OH-OE2 3.12Å; Y415-V437 PolarHBondContact OH-O 3.41Å; Y415-P440 HydrophobicContact CD1-CG 4.16Å
416	R	57.4	Low	67	Low	204 Å²	204	70.9 Å²	70.9	77%	0.77	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-24.9	176.9	-88.3	-167.7	-179.6	-119.6	7.3	113.2	S414	S414-R416 PolarHBondContact O-N 3.04Å; S414-R416 VanDerWaalsContact O-N 3.15Å
417	L	51.4	Low	64.9	Low	103 Å²	103	75.1 Å²	75.1	54%	0.539	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-43	177.1	-60.8	177.2	0	0	0	111.7	K204 S414 Y415 K419 K420	K204-L417 HydrophobicContact CB-CD1 4.1Å; S414-L417 PolarHBondContact O-N 3.48Å; Y415-L417 PolarHBondContact O-N 3.17Å; Y415-L417 VanDerWaalsContact O-N 3.15Å; L417-K419 VanDerWaalsContact C-N 3.29Å; L417-K419 PolarHBondContact O-N 3.3Å; L417-K420 PolarHBondContact O-N 3.17Å
418	I	52.7	Low	63	Low	83 Å²	83	82.1 Å²	82.1	43%	0.426	40%	0.398	S	S	.	.	H	α-helix	trans	-61.7	-36.3	-176.8	-70.6	164.9	0	0	0	111.5	Y415 K420 L421 E422	Y415-I418 HydrophobicContact CD2-CB 4.06Å; Y415-I418 HydrophobicContact CD2-CD1 4.15Å; Y415-I418 HydrophobicContact CD2-CG2 4.23Å; Y415-I418 HydrophobicContact CE2-CB 4.32Å; Y415-I418 HydrophobicContact CE2-CG2 4Å; Y415-I418 PolarHBondContact O-N 3.16Å; Y415-I418 VanDerWaalsContact O-N 3.17Å; I418-K420 VanDerWaalsContact C-N 3.27Å; I418-K420 PolarHBondContact O-N 3.15Å; I418-L421 PolarHBondContact O-N 2.74Å; I418-E422 HydrophobicContact CG2-CG 3.78Å; I418-E422 PolarHBondContact O-N 2.84Å
419	K	49.2	Very low	60.6	Low	96 Å²	96	86.5 Å²	86.5	42%	0.417	42%	0.424	S	S	.	.	H	α-helix	trans	-61.2	-27.3	179.5	-79.4	-154.6	168.7	-158.8	0	115.2	Y415 L417 L421 H423	Y415-K419 HydrophobicContact CE1-CD 4.47Å; Y415-K419 HydrophobicContact CE1-CG 4.25Å; L417-K419 VanDerWaalsContact C-N 3.29Å; L417-K419 PolarHBondContact O-N 3.3Å; K419-L421 VanDerWaalsContact C-N 3.28Å; K419-L421 PolarHBondContact O-N 2.89Å; K419-H423 PolarHBondContact O-CD2 2.87Å; K419-H423 VanDerWaalsContact O-CD2 3.3Å; K419-H423 PolarHBondContact O-N 3.18Å; K419-H423 VanDerWaalsContact O-N 3.07Å
420	K	46.8	Very low	58.3	Low	185 Å²	185	94.9 Å²	94.9	80%	0.804	46%	0.462	S	S	*	.	H	α-helix	trans	-68.7	-28.1	174.4	-84.1	-164.8	171.1	-168.9	0	112.7	L417 I418 T424	L417-K420 PolarHBondContact O-N 3.17Å; I418-K420 VanDerWaalsContact C-N 3.27Å; I418-K420 PolarHBondContact O-N 3.15Å; K420-T424 PolarHBondContact O-OG1 3.03Å
421	L	50.8	Low	56.1	Low	111 Å²	111	99.5 Å²	99.5	58%	0.581	49%	0.487	S	S	*	.	H	α-helix	trans	-85.5	-42.2	175	-168.6	64.2	0	0	0	110.9	I418 K419 H423 T424 W425	I418-L421 PolarHBondContact O-N 2.74Å; K419-L421 VanDerWaalsContact C-N 3.28Å; K419-L421 PolarHBondContact O-N 2.89Å; L421-H423 PolarHBondContact O-N 2.78Å; L421-T424 PolarHBondContact O-N 2.99Å; L421-W425 PolarHBondContact O-N 3.41Å
422	E	48.2	Very low	54.1	Low	28 Å²	28	102.4 Å²	102.4	13%	0.131	52%	0.518	C	S	.	.	H	α-helix	trans	-60.8	-38.1	177.6	-72	-163.9	142.5	0	0	113.5	Y415 I418 T424 W425 K426 V437	Y415-E422 PolarHBondContact OH-OE2 3.12Å; I418-E422 HydrophobicContact CG2-CG 3.78Å; I418-E422 PolarHBondContact O-N 2.84Å; E422-T424 PolarHBondContact O-N 2.81Å; E422-W425 PolarHBondContact O-N 2.81Å; E422-K426 HydrophobicContact CB-CD 4.15Å; E422-K426 HydrophobicContact CB-CG 4.47Å; E422-K426 VanDerWaalsContact CD-CE 3.44Å; E422-K426 VanDerWaalsContact O-CB 3.23Å; E422-K426 WeakPolarHBondContact O-CB 3.27Å; E422-K426 WeakPolarHBondContact O-CG 3.24Å; E422-K426 PolarHBondContact O-N 2.85Å; E422-K426 VanDerWaalsContact OE1-CE 3.29Å; E422-K426 WeakPolarHBondContact OE1-CE 3.42Å; E422-K426 IonicContact OE1-NZ 2.84Å; E422-K426 PolarHBondContact OE1-NZ 2.86Å; E422-K426 IonicContact OE2-NZ 2.65Å; E422-K426 PolarHBondContact OE2-NZ 2.77Å; E422-V437 WeakPolarHBondContact OE1-CG1 3.45Å
423	H	46.9	Very low	51.9	Low	140 Å²	140	109.2 Å²	109.2	65%	0.648	56%	0.555	S	S	*	*	H	α-helix	trans	-66.8	-25.9	179.6	-89.7	-74.7	0	0	0	113.2	K419 L421	K419-H423 PolarHBondContact O-CD2 2.87Å; K419-H423 VanDerWaalsContact O-CD2 3.3Å; K419-H423 PolarHBondContact O-N 3.18Å; K419-H423 VanDerWaalsContact O-N 3.07Å; L421-H423 PolarHBondContact O-N 2.78Å
424	T	47.8	Very low	50	Low	107 Å²	107	111.7 Å²	111.7	66%	0.656	57%	0.574	S	S	*	*	H	α-helix	trans	-80	-41.6	172.1	-47.1	0	0	0	0	111.2	K420 L421 E422	K420-T424 PolarHBondContact O-OG1 3.03Å; L421-T424 PolarHBondContact O-N 2.99Å; E422-T424 PolarHBondContact O-N 2.81Å
425	W	50.1	Low	48.7	Very low	179 Å²	179	114.2 Å²	114.2	68%	0.678	59%	0.589	S	S	*	*	H	α-helix	trans	-75.8	-42.8	-176.7	-164.7	-65.2	0	0	0	113.4	L421 E422 A427 L428	L421-W425 PolarHBondContact O-N 3.41Å; E422-W425 PolarHBondContact O-N 2.81Å; W425-A427 PolarHBondContact O-N 3.41Å; W425-L428 WeakPolarHBondContact O-CB 3.42Å; W425-L428 PolarHBondContact O-N 3.44Å
426	K	46.7	Very low	47.8	Very low	93 Å²	93	117 Å²	117	40%	0.404	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.3	-6.9	-177.7	-66.1	-178.7	179.9	172.1	0	113.7	E422 L428 V435	E422-K426 HydrophobicContact CB-CD 4.15Å; E422-K426 HydrophobicContact CB-CG 4.47Å; E422-K426 VanDerWaalsContact CD-CE 3.44Å; E422-K426 VanDerWaalsContact O-CB 3.23Å; E422-K426 WeakPolarHBondContact O-CB 3.27Å; E422-K426 WeakPolarHBondContact O-CG 3.24Å; E422-K426 PolarHBondContact O-N 2.85Å; E422-K426 VanDerWaalsContact OE1-CE 3.29Å; E422-K426 WeakPolarHBondContact OE1-CE 3.42Å; E422-K426 IonicContact OE1-NZ 2.84Å; E422-K426 PolarHBondContact OE1-NZ 2.86Å; E422-K426 IonicContact OE2-NZ 2.65Å; E422-K426 PolarHBondContact OE2-NZ 2.77Å; K426-L428 VanDerWaalsContact C-N 3.32Å; K426-V435 HydrophobicContact CD-CG1 4.31Å
427	A	48.8	Very low	47.2	Very low	90 Å²	90	110.5 Å²	110.5	74%	0.744	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-17.5	166	0	0	0	0	0	112.9	W425	W425-A427 PolarHBondContact O-N 3.41Å
428	L	55.9	Low	47.5	Very low	148 Å²	148	109.2 Å²	109.2	78%	0.775	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	-26.5	-167.1	-166.4	66.3	0	0	0	114.4	W425 K426	W425-L428 WeakPolarHBondContact O-CB 3.42Å; W425-L428 PolarHBondContact O-N 3.44Å; K426-L428 VanDerWaalsContact C-N 3.32Å
429	V	45.4	Very low	48.5	Very low	92 Å²	92	115 Å²	115	56%	0.558	60%	0.603	S	S	*	*	S	Bend	trans	-135.7	122.9	-173.6	-171	0	0	0	0	111.6
430	H	42.7	Very low	50.2	Low	186 Å²	186	111 Å²	111	86%	0.861	59%	0.587	S	S	*	*			trans	-68.9	135.9	169.8	-81.9	36.8	0	0	0	111.3
431	D	43.9	Very low	52.1	Low	122 Å²	122	102.9 Å²	102.9	65%	0.652	56%	0.556	S	S	*	*				-164	160.2	92.6	-160.9	3.5	0	0	0	110.1	V435	D431-V435 WeakPolarHBondContact O-CG2 3.42Å
432	G	50.4	Low	53.9	Low	65 Å²	65	103.1 Å²	103.1	67%	0.67	55%	0.553	S	S	*	*	S	Bend	trans	-79.9	-40	-157.3	0	0	0	0	0	117.4
433	D	43.4	Very low	55.9	Low	155 Å²	155	101.9 Å²	101.9	83%	0.829	55%	0.547	S	S	*	.	S	Bend	trans	-127.3	-5.1	-158.7	-146	14	0	0	0	115.4	V435	D433-V435 VanDerWaalsContact C-N 3.27Å
434	T	39.4	Very low	58.2	Low	117 Å²	117	95.4 Å²	95.4	72%	0.718	52%	0.518	S	S	*	.	S	Bend	trans	-80.4	-12.1	162.5	53.8	0	0	0	0	112.1	S436	T434-S436 PolarHBondContact O-N 2.84Å
435	V	43.4	Very low	60.4	Low	65 Å²	65	93.6 Å²	93.6	39%	0.394	50%	0.504	S	S	.	.			trans	-79.9	40.8	-178.4	-171.3	0	0	0	0	111.6	K426 D431 D433 V437	K426-V435 HydrophobicContact CD-CG1 4.31Å; D431-V435 WeakPolarHBondContact O-CG2 3.42Å; D433-V435 VanDerWaalsContact C-N 3.27Å; V435-V437 HydrophobicContact CG1-CG2 3.96Å; V435-V437 PolarHBondContact O-N 3.3Å
436	S	42.3	Very low	62.5	Low	88 Å²	88	87.3 Å²	87.3	62%	0.615	48%	0.48	S	S	*	.			trans	-74.1	53.1	165.5	60.5	0	0	0	0	111	T434 H438	T434-S436 PolarHBondContact O-N 2.84Å; S436-H438 PolarHBondContact O-N 2.93Å; S436-H438 PolarHBondContact O-ND1 3.32Å
437	V	44.9	Very low	64.8	Low	67 Å²	67	82.9 Å²	82.9	41%	0.406	46%	0.461	S	S	.	.			trans	-75.4	63.6	177.2	-168.6	0	0	0	0	110.1	Y415 E422 V435	Y415-V437 PolarHBondContact OH-O 3.41Å; E422-V437 WeakPolarHBondContact OE1-CG1 3.45Å; V435-V437 HydrophobicContact CG1-CG2 3.96Å; V435-V437 PolarHBondContact O-N 3.3Å
438	H	57.3	Low	67.1	Low	76 Å²	76	80.4 Å²	80.4	35%	0.352	43%	0.433	S	S	.	.			trans	47.2	88.7	152.4	-70.2	44.8	0	0	0	114.6	M326 S436	M326-H438 HydrophobicContact CE-CB 4.38Å; M326-H438 HydrophobicContact SD-CB 4.32Å; S436-H438 PolarHBondContact O-N 2.93Å; S436-H438 PolarHBondContact O-ND1 3.32Å
439	R	74.8	Confident	69.1	Low	206 Å²	206	78.5 Å²	78.5	78%	0.777	42%	0.419	S	S	*	.			trans	-66.8	136.9	164.9	-60.1	-179.7	-175.9	-177.9	1.9	108.8	G441 F442 Y443	R439-G441 VanDerWaalsContact C-N 3.27Å; R439-G441 PolarHBondContact O-N 3.03Å; R439-G441 VanDerWaalsContact O-N 3.12Å; R439-F442 WeakPolarHBondContact O-CB 3.38Å; R439-F442 PolarHBondContact O-N 2.85Å; R439-Y443 PolarHBondContact O-N 3.5Å
440	P	83.3	Confident	71.5	Confident	11 Å²	11	75.2 Å²	75.2	7%	0.071	40%	0.397	C	S	.	.	H	α-helix	trans	-52.1	-37	-178.4	-32.2	36.4	0	0	0	115.4	E321 K324 M326 Y415 F442 Y443 A444	E321-P440 HydrophobicContact CG-CB 4.39Å; K324-P440 HydrophobicContact CB-CG 3.98Å; K324-P440 HydrophobicContact CD-CB 4.37Å; K324-P440 HydrophobicContact CD-CG 3.98Å; M326-P440 HydrophobicContact CG-CB 4.23Å; M326-P440 HydrophobicContact CG-CG 4.04Å; M326-P440 HydrophobicContact SD-CB 4.43Å; M326-P440 HydrophobicContact SD-CG 3.93Å; Y415-P440 HydrophobicContact CD1-CG 4.16Å; P440-F442 PolarHBondContact O-N 2.88Å; P440-Y443 WeakPolarHBondContact O-CB 3.39Å; P440-Y443 PolarHBondContact O-N 3.43Å; P440-A444 WeakPolarHBondContact O-CB 3.43Å; P440-A444 PolarHBondContact O-N 3.27Å
441	G	87.3	Confident	74.1	Confident	15 Å²	15	66.4 Å²	66.4	16%	0.155	36%	0.356	C	S	.	.	H	α-helix	trans	-65.4	-33.1	174.5	0	0	0	0	0	114.8	E321 R439 A444 D445	E321-G441 WeakPolarHBondContact OE1-CA 3.48Å; E321-G441 PolarHBondContact OE1-N 3.19Å; E321-G441 WeakPolarHBondContact OE2-CA 3.37Å; R439-G441 VanDerWaalsContact C-N 3.27Å; R439-G441 PolarHBondContact O-N 3.03Å; R439-G441 VanDerWaalsContact O-N 3.12Å; G441-A444 PolarHBondContact O-N 2.94Å; G441-D445 VanDerWaalsContact O-CB 3.22Å; G441-D445 WeakPolarHBondContact O-CB 3.46Å; G441-D445 PolarHBondContact O-N 2.97Å
442	F	89.1	Confident	76.5	Confident	116 Å²	116	61.2 Å²	61.2	51%	0.509	33%	0.33	S	S	.	.	H	α-helix	trans	-68.5	-37.2	171.8	175.5	-100.2	0	0	0	111.2	R439 P440 R446	R439-F442 WeakPolarHBondContact O-CB 3.38Å; R439-F442 PolarHBondContact O-N 2.85Å; P440-F442 PolarHBondContact O-N 2.88Å; F442-R446 WeakPolarHBondContact O-CB 3.43Å; F442-R446 PolarHBondContact O-N 3.22Å; F442-R446 VanDerWaalsContact O-N 3.1Å
443	Y	90.5	Very high	78.6	Confident	1 Å²	1	61.6 Å²	61.6	0%	0.004	32%	0.322	C	S	.	.	H	α-helix	trans	-61.6	-50.4	172.5	-165.6	-72.3	0	0	0	110.8	M326 D327 Y328 R439 P440 R446 F447	M326-Y443 HydrophobicContact CB-CD2 4.2Å; M326-Y443 HydrophobicContact CB-CG 4.46Å; D327-Y443 WeakPolarHBondContact CA-OH 3.47Å; D327-Y443 WeakPolarHBondContact OD1-CE2 3.42Å; Y328-Y443 HydrophobicContact CD1-CD1 4.39Å; Y328-Y443 HydrophobicContact CD1-CE1 4.15Å; Y328-Y443 HydrophobicContact CD2-CE1 4.27Å; Y328-Y443 AromaticContact CE1-CD1 3.78Å; Y328-Y443 HydrophobicContact CE1-CD1 3.78Å; Y328-Y443 AromaticContact CE1-CE1 3.95Å; Y328-Y443 HydrophobicContact CE1-CE1 3.95Å; Y328-Y443 HydrophobicContact CE2-CD1 4.3Å; Y328-Y443 HydrophobicContact CE2-CE1 4.07Å; Y328-Y443 HydrophobicContact CG-CE1 4.33Å; Y328-Y443 AromaticContact CZ-CD1 3.74Å; Y328-Y443 AromaticContact CZ-CE1 3.93Å; Y328-Y443 PolarHBondContact O-OH 2.89Å; R439-Y443 PolarHBondContact O-N 3.5Å; P440-Y443 WeakPolarHBondContact O-CB 3.39Å; P440-Y443 PolarHBondContact O-N 3.43Å; Y443-R446 VanDerWaalsContact CZ-NH2 3.27Å; Y443-R446 PolarHBondContact O-N 3.14Å; Y443-F447 HydrophobicContact CD1-CB 4.42Å; Y443-F447 HydrophobicContact CE1-CB 4.36Å; Y443-F447 HydrophobicContact CE1-CD2 4.24Å; Y443-F447 WeakPolarHBondContact O-CB 3.43Å; Y443-F447 PolarHBondContact O-N 3.06Å
444	A	93.8	Very high	81	Confident	5 Å²	5	56.3 Å²	56.3	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-62.9	-46	-177.7	0	0	0	0	0	112.6	C317 E321 Y328 P440 G441 F447 F448	C317-A444 HydrophobicContact CB-CB 4.25Å; E321-A444 HydrophobicContact CB-CB 4.35Å; Y328-A444 WeakPolarHBondContact OH-CA 3.35Å; Y328-A444 WeakPolarHBondContact OH-CB 3.49Å; P440-A444 WeakPolarHBondContact O-CB 3.43Å; P440-A444 PolarHBondContact O-N 3.27Å; G441-A444 PolarHBondContact O-N 2.94Å; A444-F447 PolarHBondContact O-N 3.23Å; A444-F448 WeakPolarHBondContact O-CB 3.44Å; A444-F448 PolarHBondContact O-N 3.18Å
445	D	94.8	Very high	83.7	Confident	69 Å²	69	50.7 Å²	50.7	37%	0.369	26%	0.261	S	S	.	.	H	α-helix	trans	-61.5	-47	176.4	176.8	68.8	0	0	0	112.2	G441 F448 K449	G441-D445 VanDerWaalsContact O-CB 3.22Å; G441-D445 WeakPolarHBondContact O-CB 3.46Å; G441-D445 PolarHBondContact O-N 2.97Å; D445-F448 PolarHBondContact O-N 2.82Å; D445-K449 VanDerWaalsContact O-CB 3.31Å; D445-K449 WeakPolarHBondContact O-CB 3.24Å; D445-K449 VanDerWaalsContact O-CG 3.31Å; D445-K449 WeakPolarHBondContact O-CG 3.25Å; D445-K449 PolarHBondContact O-N 3.29Å; D445-K449 WeakPolarHBondContact OD1-CE 3.43Å; D445-K449 IonicContact OD1-NZ 3.53Å; D445-K449 PolarHBondContact OD1-NZ 2.83Å; D445-K449 IonicContact OD2-NZ 3.97Å; D445-K449 PolarHBondContact OD2-NZ 2.91Å
446	R	94.3	Very high	86.2	Confident	47 Å²	47	47.7 Å²	47.7	18%	0.177	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-46.6	177	-172.3	-159.9	74.7	-140.8	-6.1	111.8	K266 G267 F442 Y443 F450	K266-R446 PolarHBondContact O-NH2 2.96Å; G267-R446 WeakPolarHBondContact O-CD 3.12Å; G267-R446 VanDerWaalsContact O-CG 3.28Å; G267-R446 WeakPolarHBondContact O-CG 3.49Å; G267-R446 PolarHBondContact O-NE 2.92Å; F442-R446 WeakPolarHBondContact O-CB 3.43Å; F442-R446 PolarHBondContact O-N 3.22Å; F442-R446 VanDerWaalsContact O-N 3.1Å; Y443-R446 VanDerWaalsContact CZ-NH2 3.27Å; Y443-R446 PolarHBondContact O-N 3.14Å; R446-F450 WeakPolarHBondContact O-CB 3.5Å; R446-F450 PolarHBondContact O-N 2.86Å; R446-F450 VanDerWaalsContact O-N 3.16Å
447	F	96.1	Very high	88.7	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.1	-54.8	176.9	178	-86.2	0	0	0	110.8	L313 Y328 L330 I408 Y443 A444 K449 F450 M451	L313-F447 HydrophobicContact CD1-CE1 4.09Å; Y328-F447 AromaticContact CD2-CD2 3.97Å; Y328-F447 HydrophobicContact CD2-CD2 3.97Å; Y328-F447 HydrophobicContact CD2-CE1 4.2Å; Y328-F447 AromaticContact CD2-CE2 3.61Å; Y328-F447 HydrophobicContact CD2-CE2 3.61Å; Y328-F447 HydrophobicContact CD2-CG 4.41Å; Y328-F447 AromaticContact CD2-CZ 3.73Å; Y328-F447 HydrophobicContact CD2-CZ 3.73Å; Y328-F447 HydrophobicContact CE2-CB 4.41Å; Y328-F447 AromaticContact CE2-CD1 3.75Å; Y328-F447 HydrophobicContact CE2-CD1 3.75Å; Y328-F447 AromaticContact CE2-CD2 3.76Å; Y328-F447 HydrophobicContact CE2-CD2 3.76Å; Y328-F447 AromaticContact CE2-CE1 3.77Å; Y328-F447 HydrophobicContact CE2-CE1 3.77Å; Y328-F447 AromaticContact CE2-CE2 3.78Å; Y328-F447 HydrophobicContact CE2-CE2 3.78Å; Y328-F447 AromaticContact CE2-CG 3.74Å; Y328-F447 HydrophobicContact CE2-CG 3.74Å; Y328-F447 AromaticContact CE2-CZ 3.78Å; Y328-F447 HydrophobicContact CE2-CZ 3.78Å; L330-F447 HydrophobicContact CB-CE2 4.35Å; L330-F447 HydrophobicContact CB-CZ 3.89Å; I408-F447 HydrophobicContact CD1-CE1 4.48Å; I408-F447 HydrophobicContact CG1-CZ 4.4Å; Y443-F447 HydrophobicContact CD1-CB 4.42Å; Y443-F447 HydrophobicContact CE1-CB 4.36Å; Y443-F447 HydrophobicContact CE1-CD2 4.24Å; Y443-F447 WeakPolarHBondContact O-CB 3.43Å; Y443-F447 PolarHBondContact O-N 3.06Å; A444-F447 PolarHBondContact O-N 3.23Å; F447-K449 PolarHBondContact O-N 2.71Å; F447-F450 PolarHBondContact O-N 2.62Å; F447-M451 HydrophobicContact CD1-CE 4.41Å; F447-M451 HydrophobicContact CD1-CG 4.38Å; F447-M451 HydrophobicContact CD2-CE 3.77Å; F447-M451 HydrophobicContact CE1-CE 4.19Å; F447-M451 HydrophobicContact CE1-CG 4.27Å; F447-M451 HydrophobicContact CE2-CE 3.5Å; F447-M451 HydrophobicContact CG-CE 4.23Å; F447-M451 HydrophobicContact CZ-CE 3.75Å; F447-M451 WeakPolarHBondContact O-CG 3.29Å; F447-M451 PolarHBondContact O-N 3.19Å; F447-M451 VanDerWaalsContact O-N 3.11Å
448	F	96.9	Very high	91	Very high	37 Å²	37	48.3 Å²	48.3	16%	0.162	23%	0.229	C	C	.	.	H	α-helix	trans	-55.7	-51.3	-179.5	175.4	-105.9	0	0	0	112	V310 L313 Q314 A444 D445 F450 M451 S452	V310-F448 HydrophobicContact CG1-CE2 3.91Å; V310-F448 HydrophobicContact CG1-CZ 3.7Å; L313-F448 HydrophobicContact CB-CD2 4.38Å; L313-F448 HydrophobicContact CB-CE2 4.43Å; L313-F448 HydrophobicContact CD2-CD2 3.85Å; L313-F448 HydrophobicContact CD2-CE2 4.37Å; L313-F448 HydrophobicContact CG-CD2 4.11Å; Q314-F448 HydrophobicContact CB-CD2 4.25Å; Q314-F448 HydrophobicContact CB-CE2 3.58Å; Q314-F448 HydrophobicContact CB-CZ 3.93Å; Q314-F448 HydrophobicContact CG-CE2 4.14Å; Q314-F448 HydrophobicContact CG-CZ 4.09Å; A444-F448 WeakPolarHBondContact O-CB 3.44Å; A444-F448 PolarHBondContact O-N 3.18Å; D445-F448 PolarHBondContact O-N 2.82Å; F448-F450 VanDerWaalsContact C-N 3.33Å; F448-F450 PolarHBondContact O-N 3.14Å; F448-M451 PolarHBondContact O-N 2.8Å; F448-S452 WeakPolarHBondContact O-CB 3.38Å; F448-S452 PolarHBondContact O-N 3.33Å; F448-S452 PolarHBondContact O-OG 3.13Å
449	K	96.4	Very high	92.3	Very high	108 Å²	108	46.8 Å²	46.8	47%	0.47	23%	0.226	S	C	.	.	H	α-helix	trans	-59.2	-40.3	179.5	-77.7	170.2	174	159.7	0	112.8	D445 F447 S452 S453	D445-K449 VanDerWaalsContact O-CB 3.31Å; D445-K449 WeakPolarHBondContact O-CB 3.24Å; D445-K449 VanDerWaalsContact O-CG 3.31Å; D445-K449 WeakPolarHBondContact O-CG 3.25Å; D445-K449 PolarHBondContact O-N 3.29Å; D445-K449 WeakPolarHBondContact OD1-CE 3.43Å; D445-K449 IonicContact OD1-NZ 3.53Å; D445-K449 PolarHBondContact OD1-NZ 2.83Å; D445-K449 IonicContact OD2-NZ 3.97Å; D445-K449 PolarHBondContact OD2-NZ 2.91Å; F447-K449 PolarHBondContact O-N 2.71Å; K449-S452 PolarHBondContact O-OG 3.49Å; K449-S453 WeakPolarHBondContact O-CB 3.33Å; K449-S453 PolarHBondContact O-N 3.15Å; K449-S453 PolarHBondContact O-OG 3.28Å
450	F	96.3	Very high	92	Very high	24 Å²	24	41.5 Å²	41.5	11%	0.105	22%	0.221	C	C	.	.	H	α-helix	trans	-64.6	-47	177.4	-179.4	-104	0	0	0	111.7	L265 G267 D288 M292 R446 F447 F448 T454 V455	L265-F450 HydrophobicContact CB-CE1 4.37Å; L265-F450 HydrophobicContact CD2-CE1 4.28Å; G267-F450 VanDerWaalsContact CA-CG 3.47Å; D288-F450 HydrophobicContact CB-CE1 4.34Å; D288-F450 HydrophobicContact CB-CZ 3.96Å; D288-F450 WeakPolarHBondContact OD1-CE1 3.24Å; M292-F450 HydrophobicContact CG-CE2 4.11Å; M292-F450 HydrophobicContact CG-CZ 4.28Å; M292-F450 HydrophobicContact SD-CE2 3.89Å; M292-F450 HydrophobicContact SD-CZ 4.46Å; R446-F450 WeakPolarHBondContact O-CB 3.5Å; R446-F450 PolarHBondContact O-N 2.86Å; R446-F450 VanDerWaalsContact O-N 3.16Å; F447-F450 PolarHBondContact O-N 2.62Å; F448-F450 VanDerWaalsContact C-N 3.33Å; F448-F450 PolarHBondContact O-N 3.14Å; F450-T454 HydrophobicContact CD2-CG2 4.22Å; F450-T454 HydrophobicContact CE2-CG2 3.78Å; F450-T454 HydrophobicContact CZ-CG2 4.36Å; F450-T454 WeakPolarHBondContact O-CA 3.35Å; F450-T454 VanDerWaalsContact O-CB 3.29Å; F450-T454 WeakPolarHBondContact O-CB 3.45Å; F450-T454 PolarHBondContact O-N 3.44Å; F450-V455 HydrophobicContact CD1-CG2 3.61Å; F450-V455 HydrophobicContact CE1-CG2 3.37Å; F450-V455 HydrophobicContact CG-CG2 4.46Å; F450-V455 HydrophobicContact CZ-CG2 4.04Å; F450-V455 PolarHBondContact O-N 3.21Å; F450-V455 VanDerWaalsContact O-N 3.11Å
451	M	96.9	Very high	90.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.255	C	S	.	.	I	π-helix	trans	-62.6	-47.1	177.5	-56.4	-51.2	166.5	0	0	111.6	L265 L313 L330 F447 F448 S453 V455 F456	L265-M451 HydrophobicContact CB-CE 3.71Å; L265-M451 HydrophobicContact CB-SD 4.17Å; L265-M451 HydrophobicContact CD1-SD 4.49Å; L265-M451 WeakPolarHBondContact O-CE 3.32Å; L313-M451 HydrophobicContact CD2-CB 3.47Å; L313-M451 VanDerWaalsContact CD2-CB 3.47Å; L313-M451 HydrophobicContact CD2-CG 3.9Å; L330-M451 HydrophobicContact CB-CE 3.58Å; L330-M451 HydrophobicContact CB-SD 4Å; L330-M451 HydrophobicContact CD2-CE 4.43Å; L330-M451 HydrophobicContact CD2-CG 4.25Å; L330-M451 HydrophobicContact CD2-SD 3.69Å; F447-M451 HydrophobicContact CD1-CE 4.41Å; F447-M451 HydrophobicContact CD1-CG 4.38Å; F447-M451 HydrophobicContact CD2-CE 3.77Å; F447-M451 HydrophobicContact CE1-CE 4.19Å; F447-M451 HydrophobicContact CE1-CG 4.27Å; F447-M451 HydrophobicContact CE2-CE 3.5Å; F447-M451 HydrophobicContact CG-CE 4.23Å; F447-M451 HydrophobicContact CZ-CE 3.75Å; F447-M451 WeakPolarHBondContact O-CG 3.29Å; F447-M451 PolarHBondContact O-N 3.19Å; F447-M451 VanDerWaalsContact O-N 3.11Å; F448-M451 PolarHBondContact O-N 2.8Å; M451-S453 VanDerWaalsContact C-N 3.35Å; M451-S453 PolarHBondContact O-N 3.45Å; M451-V455 HydrophobicContact SD-CB 4.43Å; M451-V455 HydrophobicContact SD-CG2 3.86Å; M451-F456 HydrophobicContact CB-CD2 4.33Å; M451-F456 HydrophobicContact CB-CE2 4.38Å; M451-F456 WeakPolarHBondContact O-CD2 3.44Å; M451-F456 PolarHBondContact O-N 3.3Å
452	S	95.4	Very high	88.6	Confident	14 Å²	14	52.7 Å²	52.7	10%	0.098	29%	0.285	C	S	.	.	I	π-helix	trans	-74.9	-18.4	-174.6	73.3	0	0	0	0	114.9	Y306 F448 K449 F456	Y306-S452 PolarHBondContact OH-O 2.95Å; F448-S452 WeakPolarHBondContact O-CB 3.38Å; F448-S452 PolarHBondContact O-N 3.33Å; F448-S452 PolarHBondContact O-OG 3.13Å; K449-S452 PolarHBondContact O-OG 3.49Å; S452-F456 CarbonylContact C-O 3.37Å
453	S	93.5	Very high	86.2	Confident	73 Å²	73	56.3 Å²	56.3	51%	0.51	30%	0.3	S	S	.	.	I	π-helix	trans	-122.1	-27.1	-169.9	-35.7	0	0	0	0	113.3	K449 M451	K449-S453 WeakPolarHBondContact O-CB 3.33Å; K449-S453 PolarHBondContact O-N 3.15Å; K449-S453 PolarHBondContact O-OG 3.28Å; M451-S453 VanDerWaalsContact C-N 3.35Å; M451-S453 PolarHBondContact O-N 3.45Å
454	T	94.7	Very high	83.7	Confident	43 Å²	43	61.8 Å²	61.8	26%	0.264	34%	0.339	S	S	.	.	I	π-helix	trans	-109.8	-51.8	-178.8	-50.8	0	0	0	0	111.5	M292 F450 K457	M292-T454 HydrophobicContact CG-CG2 4.18Å; F450-T454 HydrophobicContact CD2-CG2 4.22Å; F450-T454 HydrophobicContact CE2-CG2 3.78Å; F450-T454 HydrophobicContact CZ-CG2 4.36Å; F450-T454 WeakPolarHBondContact O-CA 3.35Å; F450-T454 VanDerWaalsContact O-CB 3.29Å; F450-T454 WeakPolarHBondContact O-CB 3.45Å; F450-T454 PolarHBondContact O-N 3.44Å; T454-K457 WeakPolarHBondContact O-CE 3.29Å
455	V	96.3	Very high	80.9	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	37%	0.374	C	S	.	.	I	π-helix	trans	-74.2	-54.7	-172.7	-176	0	0	0	0	111.6	L265 F291 L299 L332 F450 M451	L265-V455 HydrophobicContact CD1-CG1 3.84Å; L265-V455 HydrophobicContact CD1-CG2 3.87Å; F291-V455 HydrophobicContact CD1-CG2 4.46Å; F291-V455 HydrophobicContact CE1-CB 4.24Å; F291-V455 HydrophobicContact CE1-CG1 4.24Å; F291-V455 HydrophobicContact CE1-CG2 4.23Å; F291-V455 HydrophobicContact CE2-CG1 4.05Å; F291-V455 HydrophobicContact CZ-CB 4.21Å; F291-V455 HydrophobicContact CZ-CG1 3.76Å; L299-V455 WeakPolarHBondContact CB-O 3.41Å; L299-V455 PolarHBondContact N-O 3.02Å; L332-V455 HydrophobicContact CD2-CG1 4.08Å; F450-V455 HydrophobicContact CD1-CG2 3.61Å; F450-V455 HydrophobicContact CE1-CG2 3.37Å; F450-V455 HydrophobicContact CG-CG2 4.46Å; F450-V455 HydrophobicContact CZ-CG2 4.04Å; F450-V455 PolarHBondContact O-N 3.21Å; F450-V455 VanDerWaalsContact O-N 3.11Å; M451-V455 HydrophobicContact SD-CB 4.43Å; M451-V455 HydrophobicContact SD-CG2 3.86Å
456	F	95.9	Very high	78.7	Confident	2 Å²	2	68.9 Å²	68.9	1%	0.009	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	141.5	178.6	-50.4	-74.3	0	0	0	109.9	L299 L301 M309 L330 L332 L404 I406 M451 S452	L299-F456 HydrophobicContact CB-CD1 4.08Å; L299-F456 HydrophobicContact CD1-CD1 4.16Å; L299-F456 HydrophobicContact CD1-CE1 3.91Å; L299-F456 CarbonylContact O-C 3.53Å; L299-F456 WeakPolarHBondContact O-CA 3.48Å; L301-F456 HydrophobicContact CD1-CB 4.04Å; L301-F456 HydrophobicContact CD1-CD1 3.96Å; L301-F456 HydrophobicContact CD1-CG 4.2Å; L301-F456 HydrophobicContact CG-CD1 4.49Å; M309-F456 HydrophobicContact CE-CB 3.69Å; M309-F456 HydrophobicContact CE-CD1 4.44Å; M309-F456 HydrophobicContact CE-CD2 3.58Å; M309-F456 HydrophobicContact CE-CE2 4.34Å; M309-F456 HydrophobicContact CE-CG 3.64Å; M309-F456 HydrophobicContact SD-CB 4.43Å; M309-F456 HydrophobicContact SD-CD1 4.1Å; M309-F456 HydrophobicContact SD-CD2 3.77Å; M309-F456 HydrophobicContact SD-CE1 4.3Å; M309-F456 HydrophobicContact SD-CE2 4Å; M309-F456 HydrophobicContact SD-CG 3.83Å; M309-F456 HydrophobicContact SD-CZ 4.27Å; L330-F456 HydrophobicContact CD2-CE2 3.68Å; L330-F456 HydrophobicContact CD2-CZ 3.9Å; L332-F456 HydrophobicContact CD1-CE1 4.42Å; L332-F456 HydrophobicContact CD1-CZ 4.48Å; L404-F456 HydrophobicContact CD1-CD1 4.4Å; L404-F456 HydrophobicContact CD1-CE1 4.01Å; I406-F456 HydrophobicContact CG2-CZ 4.12Å; M451-F456 HydrophobicContact CB-CD2 4.33Å; M451-F456 HydrophobicContact CB-CE2 4.38Å; M451-F456 WeakPolarHBondContact O-CD2 3.44Å; M451-F456 PolarHBondContact O-N 3.3Å; S452-F456 CarbonylContact C-O 3.37Å
457	K	94.1	Very high	76.3	Confident	62 Å²	62	72 Å²	72	27%	0.27	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	147	177.8	-55.8	-174.8	-164.1	159	0	110.2	P296 D297 L299 M300 L301 T454 S459	P296-K457 PolarHBondContact O-NZ 3.44Å; D297-K457 VanDerWaalsContact O-CD 3.28Å; D297-K457 WeakPolarHBondContact O-CD 3.35Å; D297-K457 VanDerWaalsContact O-CE 3.23Å; D297-K457 WeakPolarHBondContact O-CE 3.26Å; D297-K457 PolarHBondContact O-NZ 2.96Å; L299-K457 PolarHBondContact O-N 3.43Å; M300-K457 WeakPolarHBondContact CA-O 3.37Å; M300-K457 HydrophobicContact CE-CB 3.83Å; M300-K457 HydrophobicContact CE-CD 4.18Å; M300-K457 HydrophobicContact CE-CG 4.36Å; M300-K457 HydrophobicContact SD-CB 4.3Å; L301-K457 PolarHBondContact N-O 2.95Å; T454-K457 WeakPolarHBondContact O-CE 3.29Å; K457-S459 PolarHBondContact O-N 3.21Å
458	K	92.8	Very high	74	Confident	106 Å²	106	82 Å²	82	46%	0.461	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	125.8	173.6	177.7	-155	-74.2	-134.7	0	109.7	Y306 S460	Y306-K458 HydrophobicContact CD1-CB 4.12Å; Y306-K458 HydrophobicContact CD2-CB 4.49Å; Y306-K458 HydrophobicContact CE1-CB 4.29Å; Y306-K458 HydrophobicContact CG-CB 4.23Å; K458-S460 PolarHBondContact O-N 3.21Å
459	S	85.6	Confident	71.6	Confident	43 Å²	43	89.8 Å²	89.8	30%	0.301	50%	0.497	S	S	.	.			trans	-57.3	120.7	170.3	65.2	0	0	0	0	111	L301 K457 S461	L301-S459 VanDerWaalsContact O-CB 3.29Å; L301-S459 WeakPolarHBondContact O-CB 3.41Å; L301-S459 PolarHBondContact O-N 2.83Å; L301-S459 PolarHBondContact O-OG 2.92Å; K457-S459 PolarHBondContact O-N 3.21Å; S459-S461 PolarHBondContact O-N 3.09Å
460	S	67.4	Low	68.7	Low	95 Å²	95	88.1 Å²	88.1	66%	0.664	51%	0.511	S	S	*	.			trans	-78.1	110.7	176.5	49.4	0	0	0	0	110.6	K458 L462	K458-S460 PolarHBondContact O-N 3.21Å; S460-L462 PolarHBondContact O-N 3.26Å
461	S	52.3	Low	66	Low	113 Å²	113	99 Å²	99	79%	0.79	55%	0.551	S	S	*	*			trans	-75.1	46.5	-176.1	48.2	0	0	0	0	114.1	S459 K463	S459-S461 PolarHBondContact O-N 3.09Å; S461-K463 VanDerWaalsContact C-N 3.29Å; S461-K463 PolarHBondContact O-N 3.42Å
462	L	46.5	Very low	63.1	Low	149 Å²	149	105.3 Å²	105.3	78%	0.78	59%	0.589	S	S	*	*			trans	-84.3	65.2	179.7	-69.1	179.9	0	0	0	113.1	S460	S460-L462 PolarHBondContact O-N 3.26Å
463	K	39.3	Very low	60.2	Low	192 Å²	192	110 Å²	110	84%	0.835	62%	0.622	S	S	*	*			trans	-169.1	99.5	143.1	-101.3	145.5	-169.8	171.3	0	110.6	S461 S465	S461-K463 VanDerWaalsContact C-N 3.29Å; S461-K463 PolarHBondContact O-N 3.42Å; K463-S465 PolarHBondContact O-N 3.47Å
464	S	38.3	Very low	57.6	Low	115 Å²	115	114.5 Å²	114.5	80%	0.804	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-59.3	121.1	146.6	43.1	0	0	0	0	107.6
465	S	35.4	Very low	54.7	Low	111 Å²	111	117.2 Å²	117.2	78%	0.776	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-65	128.5	-176.2	-164.9	0	0	0	0	109.9	K463 S467	K463-S465 PolarHBondContact O-N 3.47Å; S465-S467 PolarHBondContact O-N 3.15Å
466	P	47.2	Very low	51.8	Low	112 Å²	112	123.4 Å²	123.4	73%	0.727	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-65.8	136.6	-172.3	25.5	-33.9	0	0	0	111.6	K468	P466-K468 PolarHBondContact O-N 2.68Å
467	S	45.6	Very low	49.4	Very low	113 Å²	113	128.6 Å²	128.6	79%	0.79	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-54.5	117.9	-173.6	-177.2	0	0	0	0	113	S465 K469	S465-S467 PolarHBondContact O-N 3.15Å; S467-K469 PolarHBondContact O-N 3.11Å
468	K	47.6	Very low	46.6	Very low	210 Å²	210	134.6 Å²	134.6	91%	0.913	76%	0.758	S	S	*	*			trans	-78.3	70.2	168.7	-117	-178.8	-177.6	176.7	0	110.7	P466 G470	P466-K468 PolarHBondContact O-N 2.68Å; K468-G470 PolarHBondContact O-N 3.3Å
469	K	46.5	Very low	43.5	Very low	201 Å²	201	134.9 Å²	134.9	87%	0.874	77%	0.772	S	S	*	*			trans	-68.8	110.6	171.6	-175.3	-179.9	-176	178.6	0	109.9	S467	S467-K469 PolarHBondContact O-N 3.11Å
470	G	34.5	Very low	40.8	Very low	73 Å²	73	137.4 Å²	137.4	75%	0.753	80%	0.796	S	S	*	*			trans	141	103.4	160.9	0	0	0	0	0	116.7	K468	K468-G470 PolarHBondContact O-N 3.3Å
471	R	39.5	Very low	39	Very low	252 Å²	252	136.2 Å²	136.2	95%	0.951	80%	0.798	S	S	*	*			trans	-135.4	142.5	135	-148.8	173.2	-153.9	176.2	7.1	108.8
472	V	36.1	Very low	38.9	Very low	132 Å²	132	137.5 Å²	137.5	80%	0.8	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-80.6	137.6	-171	176.2	0	0	0	0	110.7
473	S	35.3	Very low	38.1	Very low	112 Å²	112	134.2 Å²	134.2	78%	0.783	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-102.1	142	158.9	51.3	0	0	0	0	110
474	L	38	Very low	37.9	Very low	168 Å²	168	129.8 Å²	129.8	88%	0.88	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-84.5	170.7	178.6	-66.7	167.9	0	0	0	111.3
475	S	34.3	Very low	37.6	Very low	101 Å²	101	128.1 Å²	128.1	71%	0.706	80%	0.798	S	S	*	*			trans	-125.8	145.4	-149.6	50.4	0	0	0	0	116.6
476	V	35.3	Very low	37.3	Very low	130 Å²	130	134.7 Å²	134.7	79%	0.788	81%	0.806	S	S	*	*			trans	70.7	157.2	145.7	164.1	0	0	0	0	115.5
477	P	45.6	Very low	36.6	Very low	111 Å²	111	134.9 Å²	134.9	72%	0.721	81%	0.81	S	S	*	*			cis	-109.6	154.9	5.5	10.9	14.8	0	0	0	115.1
478	K	35.3	Very low	35.7	Very low	187 Å²	187	134.3 Å²	134.3	81%	0.813	81%	0.812	S	S	*	*				66.9	133	63	-175.9	-170.9	174.2	-172.7	0	112.1
479	C	27.5	Very low	34.9	Very low	113 Å²	113	129.5 Å²	129.5	76%	0.764	81%	0.805	S	S	*	*			cis	-123.8	-152.9	16.6	-134.9	0	0	0	0	111.4
480	A	28.5	Very low	34	Very low	96 Å²	96	129.3 Å²	129.3	79%	0.793	81%	0.807	S	S	*	*			cis	-149.7	-151.6	10.4	0	0	0	0	0	112.8
481	G	29.6	Very low	33.8	Very low	70 Å²	70	134 Å²	134	72%	0.722	81%	0.814	S	S	*	*			trans	-169.3	-158	174.6	0	0	0	0	0	110
482	P	50.6	Low	33.1	Very low	140 Å²	140	126.4 Å²	126.4	91%	0.909	81%	0.805	S	S	*	*			cis	-131.6	-178.3	-5.9	42.9	-27.2	0	0	0	114.1
483	G	29.4	Very low	32.8	Very low	79 Å²	79	126 Å²	126	81%	0.814	80%	0.803	S	S	*	*			trans	165.1	145.6	167	0	0	0	0	0	113.1
484	A	35	Very low	32.4	Very low	99 Å²	99	127.7 Å²	127.7	82%	0.818	80%	0.799	S	S	*	*			trans	-148.8	150.3	-176.1	0	0	0	0	0	113.8
485	A	32.7	Very low	31.9	Very low	80 Å²	80	129.4 Å²	129.4	66%	0.661	79%	0.794	S	S	*	*			trans	67.1	158.8	174.4	0	0	0	0	0	115.6
486	W	29.6	Very low	31.8	Very low	250 Å²	250	131 Å²	131	95%	0.947	79%	0.794	S	S	*	*			cis	-124	178	8.9	-60.8	-81	0	0	0	113.5
487	S	31.8	Very low	31.5	Very low	115 Å²	115	131.9 Å²	131.9	80%	0.804	79%	0.789	S	S	*	*			trans	-111.8	142.2	177	-180	0	0	0	0	111.2
488	A	28.2	Very low	31	Very low	101 Å²	101	131.6 Å²	131.6	84%	0.835	78%	0.782	S	S	*	*			trans	-156.2	140	161.2	0	0	0	0	0	110.2
489	S	29.5	Very low	31.1	Very low	110 Å²	110	128.1 Å²	128.1	77%	0.769	77%	0.771	S	S	*	*			trans	-94.2	154.8	-177.9	-42.4	0	0	0	0	112.2
490	Q	27.7	Very low	31.5	Very low	196 Å²	196	132 Å²	132	92%	0.916	77%	0.771	S	S	*	*			trans	-165.5	160	130.1	-107.2	158.2	12.5	0	0	112.6
491	L	30.5	Very low	31.6	Very low	172 Å²	172	133.8 Å²	133.8	90%	0.901	77%	0.767	S	S	*	*			trans	-113.1	-173.6	179	-75	167.9	0	0	0	109.6
492	A	24.4	Very low	31.8	Very low	92 Å²	92	138 Å²	138	76%	0.76	77%	0.772	S	S	*	*			trans	91.3	147.5	161.3	0	0	0	0	0	118.1
493	T	29.5	Very low	30.8	Very low	125 Å²	125	143.3 Å²	143.3	77%	0.767	77%	0.774	S	S	*	*			cis	-162.3	173.6	-29.3	-63.7	0	0	0	0	106.5
494	E	27.4	Very low	30.8	Very low	147 Å²	147	142.7 Å²	142.7	69%	0.687	77%	0.768	S	S	*	*			trans	80.5	149.8	163.9	-55.2	-163.3	-176	0	0	117
495	R	27.7	Very low	30.6	Very low	204 Å²	204	142.5 Å²	142.5	77%	0.77	77%	0.766	S	S	*	*			cis	-141.9	161	4.7	-147.6	166.6	173.8	117.3	-7.8	112.2
496	D	31.7	Very low	30.5	Very low	133 Å²	133	150.5 Å²	150.5	71%	0.711	78%	0.779	S	S	*	*			trans	-118	152.5	179.7	179.6	28.1	0	0	0	110.6
497	E	30.5	Very low	30.4	Very low	149 Å²	149	142.9 Å²	142.9	70%	0.696	76%	0.764	S	S	*	*			trans	-158.2	86.9	167.3	-85.8	-56.5	159.5	0	0	110.5
498	N	33.9	Very low	30.5	Very low	106 Å²	106	147 Å²	147	57%	0.567	77%	0.768	S	S	*	*				55.8	143.6	129.6	-68.8	-56.3	0	0	0	122.1
499	I	37.7	Very low	30.9	Very low	113 Å²	113	148.2 Å²	148.2	58%	0.579	77%	0.768	S	S	*	*			cis	-170.9	172	-13.9	-169.9	162	0	0	0	109.1
500	Y	34.9	Very low	30.9	Very low	194 Å²	194	149.6 Å²	149.6	76%	0.761	77%	0.771	S	S	*	*			trans	75.1	150.6	166	-60.2	-41.2	0	0	0	119.6
501	D	31.8	Very low	31.1	Very low	135 Å²	135	148.7 Å²	148.7	72%	0.722	77%	0.772	S	S	*	*			cis	-158.4	174.7	-40.3	-153.1	1.2	0	0	0	112.2
502	L	33.3	Very low	31.1	Very low	158 Å²	158	149.7 Å²	149.7	83%	0.827	77%	0.772	S	S	*	*			trans	81.2	93.9	167.1	-54.8	-175.7	0	0	0	117.3
503	R	30.3	Very low	31.3	Very low	252 Å²	252	153.2 Å²	153.2	95%	0.951	78%	0.778	S	S	*	*			trans	-151.8	146.7	166.2	-163.9	-140.5	-62.3	-145.4	1.4	111.4
504	G	28.3	Very low	31.5	Very low	65 Å²	65	156.3 Å²	156.3	67%	0.67	78%	0.784	S	S	*	*			trans	107.5	141.7	171.1	0	0	0	0	0	112.6
505	A	31.8	Very low	31.4	Very low	96 Å²	96	153.2 Å²	153.2	79%	0.793	79%	0.792	S	S	*	*			cis	61.2	99.1	0.2	0	0	0	0	0	118.1
506	R	30.2	Very low	31.6	Very low	247 Å²	247	155 Å²	155	93%	0.932	80%	0.798	S	S	*	*				-173.1	159.4	118.5	-102.7	171.5	-176	-166.3	-0.2	115.4
507	S	28	Very low	32.1	Very low	90 Å²	90	153.1 Å²	153.1	63%	0.629	79%	0.793	S	S	*	*			trans	-44.7	147.1	174.4	48	0	0	0	0	120.7
508	F	32.9	Very low	32	Very low	201 Å²	201	153 Å²	153	88%	0.882	80%	0.797	S	S	*	*			trans	45.7	144.7	139.1	-62.8	-65.9	0	0	0	122.3
509	P	37	Very low	31.9	Very low	128 Å²	128	156.3 Å²	156.3	83%	0.831	81%	0.814	S	S	*	*				-136.9	167.8	127.4	39.5	-28.9	0	0	0	114.9
510	T	30.3	Very low	31.6	Very low	138 Å²	138	158.6 Å²	158.6	85%	0.847	83%	0.827	S	S	*	*			trans	-119.9	147.3	170.6	16.5	0	0	0	0	110.5
511	L	30.4	Very low	31.5	Very low	177 Å²	177	155.1 Å²	155.1	93%	0.927	83%	0.828	S	S	*	*			trans	-149.7	156	165	-84	-179.3	0	0	0	110.8
512	E	31	Very low	31.5	Very low	194 Å²	194	154.9 Å²	154.9	91%	0.907	84%	0.835	S	S	*	*			trans	-122.1	138.3	171.2	-59.5	175.6	121.3	0	0	108.7
513	D	28.5	Very low	31.7	Very low	165 Å²	165	153.3 Å²	153.3	88%	0.882	83%	0.832	S	S	*	*			trans	-169.2	171.5	139.6	-152.1	-4.4	0	0	0	110.5
514	E	34.3	Very low	32.1	Very low	191 Å²	191	146.8 Å²	146.8	89%	0.893	82%	0.823	S	S	*	*			trans	-76.5	150.7	-170.8	-62.7	-159.1	109.2	0	0	116.6
515	G	25.2	Very low	32.4	Very low	82 Å²	82	148.6 Å²	148.6	85%	0.845	82%	0.823	S	S	*	*			trans	169.6	108.7	166.5	0	0	0	0	0	115
516	R	31.7	Very low	33.1	Very low	241 Å²	241	147 Å²	147	91%	0.909	81%	0.806	S	S	*	*			trans	-109.7	160.7	169.6	-121.3	-166.8	154.8	179.5	-6.5	109.1
517	P	41.6	Very low	33.7	Very low	93 Å²	93	143.9 Å²	143.9	60%	0.604	80%	0.799	S	S	*	*			cis	-135.4	-168.1	6.9	44	-26	0	0	0	116.4
518	D	28.7	Very low	34.5	Very low	146 Å²	146	146.7 Å²	146.7	78%	0.781	80%	0.802	S	S	*	*			trans	68.4	96.4	160.4	-57.3	-18.5	0	0	0	120.1
519	L	32.5	Very low	35	Very low	176 Å²	176	142.4 Å²	142.4	92%	0.921	79%	0.785	S	S	*	*				-155.5	159.2	111.3	-98.6	174.7	0	0	0	109.9
520	L	31.3	Very low	35.3	Very low	162 Å²	162	139.2 Å²	139.2	85%	0.848	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-84.6	140.2	-168.9	-64	172.1	0	0	0	113.4
521	P	32.5	Very low	36	Very low	120 Å²	120	136.2 Å²	136.2	78%	0.779	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-79.8	132.6	173.8	32	-33.5	0	0	0	112
522	C	32.4	Very low	36.7	Very low	130 Å²	130	132.3 Å²	132.3	88%	0.878	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-72.1	133.9	174.5	-57.4	0	0	0	0	111.6
523	T	36.7	Very low	37.3	Very low	125 Å²	125	126 Å²	126	77%	0.767	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-72.6	142.1	170.4	46.1	0	0	0	0	111.3
524	P	38.3	Very low	37.8	Very low	115 Å²	115	122.1 Å²	122.1	75%	0.747	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-64.6	147.3	167.9	29.4	-34.2	0	0	0	110.3
525	P	36.3	Very low	38.1	Very low	104 Å²	104	118.6 Å²	118.6	68%	0.675	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-67.4	156	-175.4	28.6	-35.8	0	0	0	112.2
526	S	45.7	Very low	38.8	Very low	62 Å²	62	118.3 Å²	118.3	43%	0.434	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-78.8	158.7	178.8	71.2	0	0	0	0	111.9	E528 E529	S526-E528 PolarHBondContact O-N 3.07Å; S526-E528 VanDerWaalsContact O-N 3.14Å; S526-E529 PolarHBondContact N-OE2 3.01Å; S526-E529 PolarHBondContact O-N 3.26Å; S526-E529 PolarHBondContact OG-OE2 3.21Å
527	F	42.1	Very low	39.3	Very low	181 Å²	181	112.4 Å²	112.4	79%	0.794	67%	0.668	S	S	*	*	H	α-helix	trans	-57.3	-29.3	-178.8	178.5	-104	0	0	0	113.5	T531	F527-T531 PolarHBondContact O-OG1 2.68Å
528	E	45	Very low	39.1	Very low	149 Å²	149	113.2 Å²	113.2	70%	0.696	67%	0.672	S	S	*	*	H	α-helix	trans	-77.3	-30.8	-173.7	-63.5	177.4	169.8	0	0	112.4	S526 T531 T532	S526-E528 PolarHBondContact O-N 3.07Å; S526-E528 VanDerWaalsContact O-N 3.14Å; E528-T531 PolarHBondContact O-OG1 3.43Å; E528-T532 PolarHBondContact O-N 3.09Å; E528-T532 PolarHBondContact O-OG1 3.23Å
529	E	43.5	Very low	39.3	Very low	112 Å²	112	113.5 Å²	113.5	52%	0.523	67%	0.672	S	S	.	*	H	α-helix	trans	-68	-41.2	177.3	-70.9	168.1	103.2	0	0	112.5	S526 T531 T532 A533	S526-E529 PolarHBondContact N-OE2 3.01Å; S526-E529 PolarHBondContact O-N 3.26Å; S526-E529 PolarHBondContact OG-OE2 3.21Å; E529-T531 VanDerWaalsContact C-N 3.34Å; E529-T531 PolarHBondContact O-N 2.83Å; E529-T532 PolarHBondContact O-N 3.32Å; E529-T532 VanDerWaalsContact O-N 3.07Å; E529-A533 PolarHBondContact O-N 2.93Å; E529-A533 VanDerWaalsContact O-N 3.08Å
530	A	43.9	Very low	39.3	Very low	61 Å²	61	110.1 Å²	110.1	50%	0.504	66%	0.663	S	S	.	*	H	α-helix	trans	-63	-38.1	-177.8	0	0	0	0	0	112.9	S534	A530-S534 PolarHBondContact O-N 2.77Å; A530-S534 PolarHBondContact O-OG 2.86Å
531	T	44.9	Very low	39.2	Very low	75 Å²	75	108.5 Å²	108.5	46%	0.46	67%	0.665	S	S	.	*	H	α-helix	trans	-62.6	-41.4	171.4	11.2	0	0	0	0	112.3	F527 E528 E529 S534 I535	F527-T531 PolarHBondContact O-OG1 2.68Å; E528-T531 PolarHBondContact O-OG1 3.43Å; E529-T531 VanDerWaalsContact C-N 3.34Å; E529-T531 PolarHBondContact O-N 2.83Å; T531-S534 PolarHBondContact O-N 3.44Å; T531-I535 PolarHBondContact O-N 3.08Å
532	T	45.3	Very low	39.1	Very low	94 Å²	94	109.2 Å²	109.2	58%	0.577	67%	0.668	S	S	*	*	H	α-helix	trans	-71	-43.4	-173.2	-53.2	0	0	0	0	111.7	E528 E529 S534 I535 A536	E528-T532 PolarHBondContact O-N 3.09Å; E528-T532 PolarHBondContact O-OG1 3.23Å; E529-T532 PolarHBondContact O-N 3.32Å; E529-T532 VanDerWaalsContact O-N 3.07Å; T532-S534 VanDerWaalsContact C-N 3.26Å; T532-S534 PolarHBondContact O-N 3.21Å; T532-I535 PolarHBondContact O-N 2.68Å; T532-A536 PolarHBondContact O-N 2.84Å
533	A	44	Very low	39.1	Very low	61 Å²	61	109.3 Å²	109.3	50%	0.504	67%	0.665	S	S	.	*	H	α-helix	trans	-59.7	-36.1	175.5	0	0	0	0	0	112.9	E529 I535 A536 T537	E529-A533 PolarHBondContact O-N 2.93Å; E529-A533 VanDerWaalsContact O-N 3.08Å; A533-I535 VanDerWaalsContact C-N 3.32Å; A533-I535 PolarHBondContact O-N 2.67Å; A533-A536 PolarHBondContact O-N 2.89Å; A533-T537 PolarHBondContact O-OG1 3.44Å; A533-T537 VanDerWaalsContact O-OG1 3.13Å
534	S	37.2	Very low	38.8	Very low	84 Å²	84	108.4 Å²	108.4	59%	0.587	66%	0.663	S	S	*	*	H	α-helix	trans	-67.8	-29.8	179.9	-57.7	0	0	0	0	113.2	A530 T531 T532	A530-S534 PolarHBondContact O-N 2.77Å; A530-S534 PolarHBondContact O-OG 2.86Å; T531-S534 PolarHBondContact O-N 3.44Å; T532-S534 VanDerWaalsContact C-N 3.26Å; T532-S534 PolarHBondContact O-N 3.21Å
535	I	42.1	Very low	38.4	Very low	117 Å²	117	111 Å²	111	60%	0.6	67%	0.67	S	S	*	*	H	α-helix	trans	-79.7	-37.1	178.2	-63.7	166.3	0	0	0	110.9	T531 T532 A533 T537 T538	T531-I535 PolarHBondContact O-N 3.08Å; T532-I535 PolarHBondContact O-N 2.68Å; A533-I535 VanDerWaalsContact C-N 3.32Å; A533-I535 PolarHBondContact O-N 2.67Å; I535-T537 PolarHBondContact O-N 3.04Å; I535-T537 VanDerWaalsContact O-N 3.15Å; I535-T538 PolarHBondContact O-N 3.49Å; I535-T538 PolarHBondContact O-OG1 3.02Å; I535-T538 VanDerWaalsContact O-OG1 3.13Å
536	A	38.7	Very low	38	Very low	76 Å²	76	111.9 Å²	111.9	63%	0.628	68%	0.679	S	S	*	*	H	α-helix	trans	-63.5	-21.1	-178.2	0	0	0	0	0	114.5	T532 A533	T532-A536 PolarHBondContact O-N 2.84Å; A533-A536 PolarHBondContact O-N 2.89Å
537	T	41.9	Very low	37.4	Very low	117 Å²	117	116.4 Å²	116.4	72%	0.718	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-9.6	-171.6	-48.5	0	0	0	0	113.2	A533 I535	A533-T537 PolarHBondContact O-OG1 3.44Å; A533-T537 VanDerWaalsContact O-OG1 3.13Å; I535-T537 PolarHBondContact O-N 3.04Å; I535-T537 VanDerWaalsContact O-N 3.15Å
538	T	38.4	Very low	37.1	Very low	111 Å²	111	113.7 Å²	113.7	68%	0.681	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	-0.6	-172	56.3	0	0	0	0	115.6	I535	I535-T538 PolarHBondContact O-N 3.49Å; I535-T538 PolarHBondContact O-OG1 3.02Å; I535-T538 VanDerWaalsContact O-OG1 3.13Å
539	L	33.3	Very low	36.6	Very low	152 Å²	152	115.2 Å²	115.2	80%	0.796	70%	0.704	S	S	*	*	S	Bend	trans	-105.9	17.2	-174.8	-67.7	179.2	0	0	0	115.2
540	S	31	Very low	35.8	Very low	105 Å²	105	121.6 Å²	121.6	73%	0.734	72%	0.723	S	S	*	*			trans	-134.4	80.3	-179.3	-71.8	0	0	0	0	114.1
541	S	29.5	Very low	35.1	Very low	127 Å²	127	124 Å²	124	89%	0.888	74%	0.737	S	S	*	*			trans	172	109.4	137.4	-80.2	0	0	0	0	112.4
542	T	31.3	Very low	35.3	Very low	136 Å²	136	125.6 Å²	125.6	83%	0.834	75%	0.748	S	S	*	*			trans	-129.2	134.8	155.9	49	0	0	0	0	108.4
543	T	31.4	Very low	34.6	Very low	132 Å²	132	126.5 Å²	126.5	81%	0.81	76%	0.759	S	S	*	*			trans	161.7	126.9	149.4	-74.7	0	0	0	0	112.8
544	S	31.5	Very low	33.8	Very low	106 Å²	106	130.4 Å²	130.4	74%	0.741	77%	0.771	S	S	*	*			trans	62.3	97	155.3	-61.2	0	0	0	0	123.7
545	L	29.7	Very low	33.5	Very low	169 Å²	169	132.3 Å²	132.3	89%	0.885	78%	0.779	S	S	*	*			trans	0.9	138.9	130.8	-61.3	166.1	0	0	0	120.6
546	S	28.3	Very low	33	Very low	123 Å²	123	130.6 Å²	130.6	86%	0.86	78%	0.782	S	S	*	*				-173.1	157.2	117.5	36.9	0	0	0	0	112.9
547	I	32.9	Very low	32.7	Very low	156 Å²	156	134.8 Å²	134.8	80%	0.8	79%	0.789	S	S	*	*			trans	-113.1	151.2	177.4	-38.7	174.3	0	0	0	108.2
548	P	34.8	Very low	32.4	Very low	125 Å²	125	136.1 Å²	136.1	81%	0.812	79%	0.787	S	S	*	*				-142.8	159.3	116.6	37.6	-24.8	0	0	0	115
549	E	34.1	Very low	32.6	Very low	181 Å²	181	135.7 Å²	135.7	85%	0.846	79%	0.786	S	S	*	*			trans	-76.7	155.8	176	-52	176.1	116.3	0	0	113.5
550	R	27.5	Very low	32.5	Very low	245 Å²	245	139.1 Å²	139.1	93%	0.925	79%	0.788	S	S	*	*			trans	-171.2	140.9	133.6	-109.3	167.3	-176.1	170.4	1.8	114.6
551	S	28.5	Very low	32.4	Very low	112 Å²	112	143.5 Å²	143.5	78%	0.783	79%	0.79	S	S	*	*			trans	-107.4	-174.9	160.6	-48.5	0	0	0	0	108.5
552	P	50.7	Low	32.3	Very low	109 Å²	109	146.9 Å²	146.9	71%	0.708	78%	0.783	S	S	*	*			cis	-141.5	179.2	2.9	44.5	-26.8	0	0	0	117.2
553	S	29.5	Very low	32.2	Very low	113 Å²	113	152.3 Å²	152.3	79%	0.79	79%	0.788	S	S	*	*			trans	61.5	147.7	148.5	-61.3	0	0	0	0	120.3
554	D	27.8	Very low	32	Very low	142 Å²	142	153.1 Å²	153.1	76%	0.759	78%	0.783	S	S	*	*				-168.5	161.5	65.1	-155.9	5.1	0	0	0	116.7
555	T	30.6	Very low	31.9	Very low	125 Å²	125	154.8 Å²	154.8	77%	0.767	79%	0.788	S	S	*	*			trans	60.3	153.4	165.4	57.3	0	0	0	0	120.3
556	A	31.2	Very low	31.9	Very low	80 Å²	80	154.7 Å²	154.7	66%	0.661	78%	0.783	S	S	*	*			cis	-146.6	149.4	6.6	0	0	0	0	0	113.9
557	E	32.3	Very low	31.9	Very low	165 Å²	165	154 Å²	154	77%	0.771	78%	0.779	S	S	*	*			trans	47.2	146.9	137.9	-61.1	-173.1	-175.5	0	0	122.5
558	H	35.3	Very low	31.6	Very low	145 Å²	145	154 Å²	154	67%	0.671	78%	0.779	S	S	*	*			cis	-171.2	-177.2	-2.1	-110	-2.4	0	0	0	109
559	P	42.8	Very low	31.3	Very low	101 Å²	101	152.6 Å²	152.6	66%	0.656	77%	0.773	S	S	*	*				-135.5	141.4	-56.2	38.1	-19.7	0	0	0	116.4
560	R	31.6	Very low	31	Very low	225 Å²	225	152.7 Å²	152.7	85%	0.849	77%	0.773	S	S	*	*			trans	28.8	130.9	144.9	-58.8	179.5	177.7	122.5	0.8	122.7
561	Y	28.4	Very low	31.2	Very low	197 Å²	197	148.1 Å²	148.1	77%	0.773	77%	0.767	S	S	*	*				-171.1	109.4	108.2	-116.5	-95.7	0	0	0	108.4
562	R	29.1	Very low	31.2	Very low	197 Å²	197	146.6 Å²	146.6	74%	0.743	77%	0.769	S	S	*	*				93.3	94.8	59	-175.6	-158.6	-165.9	173.1	4.9	114.1
563	R	28.3	Very low	30.2	Very low	250 Å²	250	153.1 Å²	153.1	94%	0.943	78%	0.779	S	S	*	*				-163	164.8	122.8	-113.7	-179.4	-174.7	177.2	3.1	113.2
564	H	27.5	Very low	30.2	Very low	150 Å²	150	155.1 Å²	155.1	69%	0.694	79%	0.787	S	S	*	*			trans	-140.4	141.6	-167.7	-169.7	-18.8	0	0	0	106.9
565	T	29.1	Very low	30.2	Very low	140 Å²	140	156 Å²	156	86%	0.859	79%	0.786	S	S	*	*			trans	-152.5	141.1	157.8	27	0	0	0	0	110.3
566	Q	29.7	Very low	30.1	Very low	167 Å²	167	159.4 Å²	159.4	78%	0.78	79%	0.794	S	S	*	*			trans	-118.8	150.2	164	-67.8	170.1	-37.4	0	0	108.1
567	S	27.4	Very low	29.9	Very low	110 Å²	110	163.8 Å²	163.8	77%	0.769	80%	0.801	S	S	*	*			trans	-162.9	113.8	157.3	51.8	0	0	0	0	107.8
568	L	28.2	Very low	29.6	Very low	154 Å²	154	164.1 Å²	164.1	81%	0.806	81%	0.807	S	S	*	*				77	93.5	66	-79.2	162.9	0	0	0	114.5
569	S	28.2	Very low	29.1	Very low	97 Å²	97	168.7 Å²	168.7	68%	0.678	82%	0.818	S	S	*	*			trans	52.8	125.4	130.5	61.4	0	0	0	0	121.9
570	H	28.4	Very low	28.4	Very low	182 Å²	182	170.6 Å²	170.6	84%	0.843	83%	0.828	S	S	*	*				-152.8	153.3	124.4	-133.4	-69.6	0	0	0	112.8
571	D	31.5	Very low	28.2	Very low	150 Å²	150	170.1 Å²	170.1	80%	0.802	83%	0.826	S	S	*	*			trans	-75.9	160	-175.1	-54	-91.6	0	0	0	116.5
572	G	28.6	Very low	28.3	Very low	80 Å²	80	169.7 Å²	169.7	83%	0.825	83%	0.831	S	S	*	*			trans	-174.4	110.6	164.2	0	0	0	0	0	113.7
573	R	29.3	Very low	28.3	Very low	246 Å²	246	168.6 Å²	168.6	93%	0.928	83%	0.834	S	S	*	*			trans	-81.8	136.6	173.9	-87.3	175.1	160.3	163.8	-7.7	112
574	T	29.9	Very low	28.4	Very low	154 Å²	154	163.8 Å²	163.8	95%	0.945	83%	0.827	S	S	*	*				-155.7	160.2	124.4	14.9	0	0	0	0	110.3
575	Q	26.3	Very low	28.4	Very low	160 Å²	160	165.6 Å²	165.6	75%	0.748	84%	0.836	S	S	*	*			trans	-123.7	124.5	-174.7	170.7	-173.8	-7.7	0	0	108.9
576	E	28.6	Very low	28.5	Very low	197 Å²	197	167 Å²	167	92%	0.921	83%	0.832	S	S	*	*			trans	-130	135.1	157	-78.5	-164.1	125.9	0	0	108.8
577	E	27.8	Very low	28.3	Very low	173 Å²	173	165.2 Å²	165.2	81%	0.808	83%	0.833	S	S	*	*			trans	-90.1	121.8	176.8	-62.6	176.8	116.2	0	0	109.4
578	L	26.3	Very low	28.5	Very low	171 Å²	171	167.4 Å²	167.4	90%	0.895	84%	0.835	S	S	*	*			trans	-121.1	128.3	160.4	-150.6	105.1	0	0	0	109.3	V580	L578-V580 PolarHBondContact O-N 2.86Å
579	R	25.5	Very low	28.4	Very low	241 Å²	241	165.9 Å²	165.9	91%	0.909	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-69.6	116.7	-170.3	-65.9	173.6	178.5	147.1	-0.4	110.8	R581	R579-R581 PolarHBondContact O-N 3.02Å
580	V	27.3	Very low	28.4	Very low	142 Å²	142	167.3 Å²	167.3	86%	0.861	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-65.8	126.3	155.9	178.8	0	0	0	0	107.1	L578	L578-V580 PolarHBondContact O-N 2.86Å
581	R	26.6	Very low	28.4	Very low	215 Å²	215	167.6 Å²	167.6	81%	0.811	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-96.9	127.2	173	-176	177.2	-177.2	168.3	-1	107.2	R579 E583	R579-R581 PolarHBondContact O-N 3.02Å; R581-E583 PolarHBondContact O-N 2.91Å
582	E	30.6	Very low	28.3	Very low	188 Å²	188	165.7 Å²	165.7	88%	0.879	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-65.1	130.8	169.9	-67.3	171.1	121.2	0	0	108.9
583	E	29.8	Very low	28.3	Very low	174 Å²	174	170 Å²	170	81%	0.813	83%	0.83	S	S	*	*			trans	-111.5	120.1	169.3	-67.8	-165.4	137.2	0	0	108.6	R581 Q585	R581-E583 PolarHBondContact O-N 2.91Å; E583-Q585 PolarHBondContact O-N 2.87Å
584	D	30	Very low	28.2	Very low	149 Å²	149	165 Å²	165	80%	0.797	82%	0.821	S	S	*	*			trans	-61.8	116	178.6	-76.9	-55.2	0	0	0	110.8	Q586	D584-Q586 VanDerWaalsContact C-N 3.27Å; D584-Q586 PolarHBondContact O-N 3.3Å
585	Q	28.2	Very low	28.2	Very low	187 Å²	187	165.3 Å²	165.3	87%	0.874	81%	0.809	S	S	*	*			trans	-72.7	81.9	170.4	-76.8	179	67.2	0	0	110.5	E583 T587	E583-Q585 PolarHBondContact O-N 2.87Å; Q585-T587 PolarHBondContact O-N 3.47Å
586	Q	29.8	Very low	28.4	Very low	169 Å²	169	167.2 Å²	167.2	79%	0.79	81%	0.81	S	S	*	*			trans	-69.5	96.7	168.7	-67.8	-169.8	-4.1	0	0	110	D584 I588	D584-Q586 VanDerWaalsContact C-N 3.27Å; D584-Q586 PolarHBondContact O-N 3.3Å; Q586-I588 PolarHBondContact O-N 3.07Å; Q586-I588 VanDerWaalsContact O-N 3.15Å
587	T	26.8	Very low	28.4	Very low	130 Å²	130	165.2 Å²	165.2	80%	0.798	80%	0.8	S	S	*	*			trans	-62.5	111.3	173.7	45.5	0	0	0	0	111	Q585	Q585-T587 PolarHBondContact O-N 3.47Å
588	I	30.3	Very low	28.5	Very low	157 Å²	157	163.5 Å²	163.5	81%	0.805	80%	0.796	S	S	*	*			trans	-78.7	126	175.5	-63.8	173	0	0	0	109.6	Q586	Q586-I588 PolarHBondContact O-N 3.07Å; Q586-I588 VanDerWaalsContact O-N 3.15Å
589	T	26.4	Very low	28.8	Very low	122 Å²	122	160.4 Å²	160.4	75%	0.748	79%	0.789	S	S	*	*			trans	-78.4	126.8	177.5	44.5	0	0	0	0	112.2
590	V	28.5	Very low	28.9	Very low	126 Å²	126	157.8 Å²	157.8	76%	0.764	79%	0.787	S	S	*	*			trans	-89.1	110	166.1	-179.7	0	0	0	0	108.7	V592	V590-V592 HydrophobicContact CG1-CG2 4.21Å; V590-V592 PolarHBondContact O-N 3.04Å
591	E	28.1	Very low	29.2	Very low	189 Å²	189	156.6 Å²	156.6	88%	0.883	78%	0.782	S	S	*	*			trans	-72.5	108.4	173.9	-70.9	-170.7	131.6	0	0	111
592	V	29	Very low	29.2	Very low	109 Å²	109	152.4 Å²	152.4	66%	0.661	78%	0.781	S	S	*	*			trans	-101.2	97.8	169.4	-176.7	0	0	0	0	108.3	V590 L594	V590-V592 HydrophobicContact CG1-CG2 4.21Å; V590-V592 PolarHBondContact O-N 3.04Å; V592-L594 VanDerWaalsContact C-N 3.32Å; V592-L594 HydrophobicContact CG1-CG 4.29Å; V592-L594 PolarHBondContact O-N 3.39Å
593	E	28.9	Very low	29.3	Very low	171 Å²	171	151 Å²	151	80%	0.799	78%	0.778	S	S	*	*			trans	-72.7	78.7	-176.9	-164.3	-170.1	156.6	0	0	112.1	K595	E593-K595 PolarHBondContact O-N 3.21Å; E593-K595 VanDerWaalsContact O-N 3.09Å
594	L	28.6	Very low	29.2	Very low	140 Å²	140	147.6 Å²	147.6	73%	0.733	77%	0.773	S	S	*	*			trans	-78.2	86.9	173.4	-84.8	168.9	0	0	0	111.3	V592 R596	V592-L594 VanDerWaalsContact C-N 3.32Å; V592-L594 HydrophobicContact CG1-CG 4.29Å; V592-L594 PolarHBondContact O-N 3.39Å; L594-R596 PolarHBondContact O-N 3.49Å
595	K	28.9	Very low	29.1	Very low	161 Å²	161	144.8 Å²	144.8	70%	0.7	77%	0.77	S	S	*	*			trans	-70.6	86	179.4	-169.3	167.5	-172.9	164	0	113.1	E593	E593-K595 PolarHBondContact O-N 3.21Å; E593-K595 VanDerWaalsContact O-N 3.09Å
596	R	30.2	Very low	29.3	Very low	201 Å²	201	141.8 Å²	141.8	76%	0.758	77%	0.767	S	S	*	*			trans	-77.2	147.1	164.8	-67.1	-175.7	-179.6	155.9	1.9	110.9	L594	L594-R596 PolarHBondContact O-N 3.49Å
597	H	29.5	Very low	29.1	Very low	154 Å²	154	143.1 Å²	143.1	71%	0.713	77%	0.773	S	S	*	*			trans	-124.4	86.9	171.1	-99.6	-79.8	0	0	0	108
598	D	29.7	Very low	29.2	Very low	137 Å²	137	146 Å²	146	73%	0.733	78%	0.777	S	S	*	*			trans	-95.3	130.5	169.9	-60.4	-55.6	0	0	0	108.4
599	S	31.6	Very low	29.1	Very low	106 Å²	106	143.4 Å²	143.4	74%	0.741	77%	0.774	S	S	*	*			trans	-159.2	65.2	-174.3	-66	0	0	0	0	111.4
600	E	27.8	Very low	30	Very low	186 Å²	186	143.1 Å²	143.1	87%	0.869	77%	0.774	S	S	*	*			trans	-75.9	135.3	169.6	-68.7	-164.8	127.8	0	0	111.4	T602	E600-T602 PolarHBondContact O-N 2.79Å
601	P	33.5	Very low	29.9	Very low	117 Å²	117	145 Å²	145	76%	0.76	78%	0.779	S	S	*	*			trans	-82.4	106.2	178.6	31.8	-32.7	0	0	0	111.3	I603	P601-I603 PolarHBondContact O-N 3.29Å; P601-I603 VanDerWaalsContact O-N 3.17Å
602	T	26.5	Very low	30	Very low	128 Å²	128	140 Å²	140	79%	0.785	77%	0.771	S	S	*	*			trans	-72.4	106.9	169.1	-62	0	0	0	0	110.1	E600	E600-T602 PolarHBondContact O-N 2.79Å
603	I	32.9	Very low	30.1	Very low	159 Å²	159	141 Å²	141	82%	0.815	78%	0.782	S	S	*	*			trans	-82.7	131.2	166.8	-61.3	177	0	0	0	108.1	P601	P601-I603 PolarHBondContact O-N 3.29Å; P601-I603 VanDerWaalsContact O-N 3.17Å
604	S	27.6	Very low	30.1	Very low	102 Å²	102	141.6 Å²	141.6	71%	0.713	79%	0.785	S	S	*	*			trans	-142.4	115	173.7	-70.6	0	0	0	0	109.8
605	A	28	Very low	31.2	Very low	89 Å²	89	139.8 Å²	139.8	74%	0.736	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-85	138.9	175.7	0	0	0	0	0	110.3	Q607	A605-Q607 PolarHBondContact O-N 3.34Å
606	P	32.5	Very low	31.1	Very low	125 Å²	125	140.6 Å²	140.6	81%	0.812	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-77.2	120.5	173.9	28.9	-29.7	0	0	0	110.6
607	Q	26.7	Very low	31.1	Very low	196 Å²	196	135.9 Å²	135.9	92%	0.916	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-89.7	143.5	163	-70.8	-172.3	-40.4	0	0	109.8	A605	A605-Q607 PolarHBondContact O-N 3.34Å
608	H	28.3	Very low	31.2	Very low	190 Å²	190	132.8 Å²	132.8	88%	0.88	79%	0.793	S	S	*	*			trans	-143.7	126.6	-173.5	-141.9	-56.5	0	0	0	110.5
609	S	28.1	Very low	31.4	Very low	104 Å²	104	130.4 Å²	130.4	73%	0.727	79%	0.792	S	S	*	*			trans	-175.2	163.3	176.2	56.4	0	0	0	0	110.4
610	P	44.3	Very low	31.3	Very low	115 Å²	115	133 Å²	133	75%	0.747	80%	0.798	S	S	*	*			cis	-137.6	154.6	-47.9	38.1	-23.9	0	0	0	113.4
611	D	27.8	Very low	31.5	Very low	166 Å²	166	128 Å²	128	89%	0.888	79%	0.789	S	S	*	*			trans	178.6	156.6	149.4	-110.8	-4.6	0	0	0	110
612	A	30	Very low	31.4	Very low	85 Å²	85	130.8 Å²	130.8	70%	0.702	79%	0.791	S	S	*	*			cis	-167.8	113.9	-49.6	0	0	0	0	0	110.1
613	S	30	Very low	31.5	Very low	128 Å²	128	132.9 Å²	132.9	90%	0.895	79%	0.792	S	S	*	*			trans	-169.2	129.5	160.6	57.7	0	0	0	0	112.9
614	E	30.5	Very low	31.3	Very low	185 Å²	185	129 Å²	129	86%	0.864	78%	0.784	S	S	*	*			trans	-100.3	-171.8	-177.1	-114.1	-174.7	-159.5	0	0	112
615	P	50	Low	31.4	Very low	102 Å²	102	130 Å²	130	66%	0.662	79%	0.786	S	S	*	*			cis	-125.7	-152.8	-11.2	23.4	3.8	0	0	0	110.8
616	Q	28.3	Very low	31.4	Very low	178 Å²	178	130.1 Å²	130.1	83%	0.832	79%	0.787	S	S	*	*			cis	-151.8	159.5	13.3	-63.6	179.6	-57.6	0	0	112.6
617	A	30.7	Very low	32.1	Very low	101 Å²	101	130 Å²	130	84%	0.835	79%	0.786	S	S	*	*			trans	67.3	145.9	146.2	0	0	0	0	0	121.4
618	A	31	Very low	32.3	Very low	90 Å²	90	125 Å²	125	74%	0.744	77%	0.773	S	S	*	*			cis	-171.2	150.4	-21.3	0	0	0	0	0	110.5
619	A	32.7	Very low	32.3	Very low	86 Å²	86	122.3 Å²	122.3	71%	0.711	77%	0.77	S	S	*	*			trans	61.3	147.3	160.9	0	0	0	0	0	118.7
620	D	30.6	Very low	32.1	Very low	162 Å²	162	123 Å²	123	87%	0.866	77%	0.773	S	S	*	*			cis	-156.7	-177.8	-12	-106.2	-25.3	0	0	0	110.6
621	A	32.2	Very low	32.4	Very low	81 Å²	81	123 Å²	123	67%	0.669	77%	0.773	S	S	*	*			trans	-56.8	174.6	-176.7	0	0	0	0	0	116.6
622	E	30.5	Very low	32.4	Very low	175 Å²	175	119.8 Å²	119.8	82%	0.818	77%	0.77	S	S	*	*			cis	-161.6	-171.5	11.4	-145.4	155.1	-142.8	0	0	113.1
623	E	28.8	Very low	32.5	Very low	172 Å²	172	119.6 Å²	119.6	80%	0.804	77%	0.768	S	S	*	*			trans	-30.8	168.5	165.9	-82.9	-169.9	121.7	0	0	120.4
624	A	29.5	Very low	32.5	Very low	77 Å²	77	122.6 Å²	122.6	64%	0.636	77%	0.768	S	S	*	*			cis	-157.3	165.9	11.2	0	0	0	0	0	115.6
625	T	28.2	Very low	32.5	Very low	123 Å²	123	117.7 Å²	117.7	76%	0.755	76%	0.759	S	S	*	*			trans	5.7	125.4	151.9	62.2	0	0	0	0	122.7
626	A	29.1	Very low	31.6	Very low	92 Å²	92	117.3 Å²	117.3	76%	0.76	77%	0.765	S	S	*	*				46.9	172	111.3	0	0	0	0	0	122.1
627	P	47.3	Very low	31.7	Very low	121 Å²	121	113.5 Å²	113.5	79%	0.786	76%	0.758	S	S	*	*			cis	-132	-170.9	-19.2	29.8	-6.9	0	0	0	114.3
628	S	29.8	Very low	31.7	Very low	93 Å²	93	114 Å²	114	65%	0.65	76%	0.755	S	S	*	*				109.5	128.3	128.4	-152.8	0	0	0	0	122.3
629	T	28.1	Very low	31.7	Very low	132 Å²	132	116 Å²	116	81%	0.81	76%	0.758	S	S	*	*			trans	70.6	129.3	141.9	38.7	0	0	0	0	124.1
630	C	25.2	Very low	31.9	Very low	119 Å²	119	115.9 Å²	115.9	80%	0.804	76%	0.757	S	S	*	*			trans	-72.1	-166.1	156.1	-44.7	0	0	0	0	110.7
631	P	49.7	Very low	32.9	Very low	114 Å²	114	114.6 Å²	114.6	74%	0.74	76%	0.758	S	S	*	*			cis	-144.5	176.6	5.6	45	-26.5	0	0	0	118.3
632	A	29.1	Very low	33	Very low	100 Å²	100	115.5 Å²	115.5	83%	0.826	77%	0.765	S	S	*	*			trans	59.7	171.5	150.2	0	0	0	0	0	118.1
633	A	30.9	Very low	33.1	Very low	80 Å²	80	112.2 Å²	112.2	66%	0.661	77%	0.768	S	S	*	*			cis	-146.2	171.9	-1.3	0	0	0	0	0	111
634	E	29.5	Very low	33.3	Very low	191 Å²	191	108.5 Å²	108.5	89%	0.893	77%	0.767	S	S	*	*			trans	26.5	152.2	135.4	-65.7	178.8	168.4	0	0	122.5
635	A	30.9	Very low	34.2	Very low	82 Å²	82	110.2 Å²	110.2	68%	0.678	77%	0.772	S	S	*	*			cis	-175.6	171.5	-14.8	0	0	0	0	0	109.6
636	A	31.6	Very low	34.4	Very low	95 Å²	95	109.7 Å²	109.7	79%	0.785	77%	0.773	S	S	*	*			trans	65.2	157.3	158.4	0	0	0	0	0	118.4
637	S	31	Very low	35.9	Very low	97 Å²	97	110.9 Å²	110.9	68%	0.678	77%	0.773	S	S	*	*			cis	-167.4	159.2	-23.6	54.9	0	0	0	0	110.5
638	S	31	Very low	36.1	Very low	111 Å²	111	111.3 Å²	111.3	78%	0.776	78%	0.775	S	S	*	*			trans	63.8	160.2	161.1	73.2	0	0	0	0	117.2
639	T	31.1	Very low	36.4	Very low	133 Å²	133	115.4 Å²	115.4	82%	0.816	78%	0.784	S	S	*	*			cis	-148.5	163.2	9	-34.1	0	0	0	0	110.9
640	A	35.6	Very low	37.4	Very low	84 Å²	84	114.5 Å²	114.5	69%	0.694	78%	0.781	S	S	*	*			trans	-81.6	-176	164.3	0	0	0	0	0	110.9
641	P	50.8	Low	37.7	Very low	134 Å²	134	113.7 Å²	113.7	87%	0.87	78%	0.782	S	S	*	*			cis	-137.4	-152	16.1	42.8	-20.6	0	0	0	115.3
642	A	34.8	Very low	36.9	Very low	101 Å²	101	117.5 Å²	117.5	84%	0.835	79%	0.791	S	S	*	*			trans	-129.8	162.6	-162.4	0	0	0	0	0	116
643	A	33.1	Very low	36.7	Very low	106 Å²	106	122.4 Å²	122.4	88%	0.876	80%	0.796	S	S	*	*			trans	-167.2	160.2	156.8	0	0	0	0	0	112.2
644	A	34	Very low	36.7	Very low	93 Å²	93	122.9 Å²	122.9	77%	0.769	80%	0.8	S	S	*	*			trans	-125.6	171.1	173.3	0	0	0	0	0	110.3
645	P	48.5	Very low	37.2	Very low	114 Å²	114	119.9 Å²	119.9	74%	0.74	80%	0.797	S	S	*	*				-164.6	152.1	84.1	41	-18.5	0	0	0	121.1
646	S	32	Very low	37.8	Very low	112 Å²	112	121.6 Å²	121.6	78%	0.783	80%	0.802	S	S	*	*			trans	78.2	173.6	137.7	81.5	0	0	0	0	120.7
647	P	60.3	Low	37.9	Very low	116 Å²	116	128.5 Å²	128.5	75%	0.753	81%	0.807	S	S	*	*				-129.1	-175.7	-113.1	37.1	-14.1	0	0	0	115.8
648	P	50.8	Low	38.3	Very low	130 Å²	130	130.1 Å²	130.1	84%	0.844	82%	0.816	S	S	*	*				-153	-139.7	100.6	42.7	-22.4	0	0	0	115.3
649	E	35.6	Very low	38	Very low	180 Å²	180	133.5 Å²	133.5	84%	0.841	82%	0.819	S	S	*	*			trans	-145.3	-177.7	-170.9	-117.3	-169.8	-161.4	0	0	110.7
650	P	50	Low	37.8	Very low	112 Å²	112	132.9 Å²	132.9	73%	0.727	82%	0.815	S	S	*	*			cis	-145.4	-172.8	22.2	44.5	-24	0	0	0	119.4
651	A	32	Very low	37.2	Very low	102 Å²	102	135.2 Å²	135.2	84%	0.843	82%	0.82	S	S	*	*			trans	101.7	158.6	148.5	0	0	0	0	0	122.6
652	E	32.8	Very low	36.1	Very low	195 Å²	195	135 Å²	135	91%	0.911	82%	0.816	S	S	*	*			trans	-109.1	163.4	-155.7	-56.2	171.8	93.5	0	0	117.2
653	E	25.3	Very low	35.6	Very low	202 Å²	202	136.2 Å²	136.2	94%	0.944	81%	0.813	S	S	*	*				166.6	154.9	111	-156.5	171.2	-155.1	0	0	112
654	A	30.4	Very low	35.3	Very low	90 Å²	90	139.9 Å²	139.9	74%	0.744	81%	0.812	S	S	*	*			trans	-167	145.1	179.7	0	0	0	0	0	116.3
655	P	39.9	Very low	35.9	Very low	128 Å²	128	140 Å²	140	83%	0.831	81%	0.805	S	S	*	*			trans	-127.3	-119.9	159.4	28.4	-5.7	0	0	0	116.5
656	P	43.8	Very low	34.9	Very low	119 Å²	119	142.3 Å²	142.3	77%	0.773	81%	0.811	S	S	*	*				-133.2	179.9	-124.5	42.4	-23.1	0	0	0	119.6
657	R	34.1	Very low	34.7	Very low	239 Å²	239	140.2 Å²	140.2	90%	0.902	81%	0.807	S	S	*	*			trans	-109.5	164.6	168.8	-62.1	-179.4	178.1	-173.4	-1.1	112.3
658	P	38	Very low	33.1	Very low	132 Å²	132	139.5 Å²	139.5	86%	0.857	81%	0.811	S	S	*	*			trans	-138.6	-160.7	140.1	38	-22.2	0	0	0	114.5
659	E	25.2	Very low	32	Very low	182 Å²	182	139.2 Å²	139.2	85%	0.85	81%	0.812	S	S	*	*			trans	-123.8	166.4	-149.9	-61	178.2	107	0	0	118.6
660	V	26.1	Very low	31.7	Very low	119 Å²	119	139.4 Å²	139.4	72%	0.721	81%	0.813	S	S	*	*			trans	8.1	140.2	146.8	-174.7	0	0	0	0	121.5	V662	V660-V662 HydrophobicContact CG1-CG2 4.1Å
661	V	23.4	Very low	30.6	Very low	134 Å²	134	142.4 Å²	142.4	81%	0.812	82%	0.822	S	S	*	*			trans	-137.7	150.2	152.8	179.2	0	0	0	0	110
662	V	27.2	Very low	30.4	Very low	128 Å²	128	143.1 Å²	143.1	78%	0.776	82%	0.821	S	S	*	*			trans	-134.4	139.1	179.2	175	0	0	0	0	110.5	V660	V660-V662 HydrophobicContact CG1-CG2 4.1Å
663	V	24.3	Very low	30.1	Very low	128 Å²	128	137.7 Å²	137.7	78%	0.776	82%	0.817	S	S	*	*			trans	-149.5	136.6	170.4	-173.9	0	0	0	0	112.3
664	E	27.1	Very low	30.2	Very low	182 Å²	182	134.3 Å²	134.3	85%	0.85	82%	0.816	S	S	*	*			trans	-149.6	176.5	160.8	-85.8	-151.2	142.2	0	0	106.7
665	P	47.8	Very low	29.9	Very low	97 Å²	97	133.7 Å²	133.7	63%	0.63	82%	0.818	S	S	*	*			cis	-134.1	-150.7	3.7	40.4	-18.8	0	0	0	114.2
666	D	26.5	Very low	29.2	Very low	162 Å²	162	133.7 Å²	133.7	87%	0.866	82%	0.82	S	S	*	*			trans	75.8	142.3	163.4	-61.9	-22.8	0	0	0	120.1
667	G	27.3	Very low	28.4	Very low	67 Å²	67	134.1 Å²	134.1	69%	0.691	82%	0.82	S	S	*	*			cis	172.1	152.8	-8.4	0	0	0	0	0	115.2
668	A	26.9	Very low	28.2	Very low	102 Å²	102	128.8 Å²	128.8	84%	0.843	82%	0.82	S	S	*	*			trans	64.3	162.7	174.3	0	0	0	0	0	117
669	S	28.9	Very low	27.7	Very low	123 Å²	123	131.6 Å²	131.6	86%	0.86	82%	0.821	S	S	*	*			cis	-145.1	178.4	15.9	-59	0	0	0	0	113.5
670	Q	27.9	Very low	27.7	Very low	185 Å²	185	127.2 Å²	127.2	86%	0.864	82%	0.816	S	S	*	*			trans	-80.3	158.2	-176.6	-57.2	167.5	-8	0	0	115
671	L	28.8	Very low	27.9	Very low	174 Å²	174	126.7 Å²	126.7	91%	0.911	82%	0.818	S	S	*	*			trans	-164.2	165.7	131	-110.8	170.2	0	0	0	112.6
672	S	27	Very low	28.1	Very low	118 Å²	118	126.2 Å²	126.2	83%	0.825	82%	0.815	S	S	*	*			trans	-107.5	149.6	-160.9	-47.1	0	0	0	0	114.6
673	G	26.5	Very low	28.4	Very low	81 Å²	81	125.5 Å²	125.5	84%	0.835	81%	0.807	S	S	*	*			trans	-154.1	134.1	168.3	0	0	0	0	0	111.9
674	S	26.6	Very low	28.8	Very low	131 Å²	131	126.4 Å²	126.4	92%	0.916	81%	0.807	S	S	*	*			trans	-99.1	142.8	-177	50.1	0	0	0	0	112.5
675	G	25	Very low	29.1	Very low	76 Å²	76	123.7 Å²	123.7	78%	0.784	80%	0.799	S	S	*	*			trans	-167.8	114.8	174.6	0	0	0	0	0	110.9
676	C	25.7	Very low	28.3	Very low	129 Å²	129	126.1 Å²	126.1	87%	0.872	81%	0.807	S	S	*	*			trans	-95.9	123.5	-177.8	-172.4	0	0	0	0	110.6
677	T	27.2	Very low	28.5	Very low	127 Å²	127	125.5 Å²	125.5	78%	0.779	80%	0.803	S	S	*	*			trans	-138.4	143.1	167.3	50.7	0	0	0	0	110.8	Q679	T677-Q679 PolarHBondContact O-N 3.3Å
678	S	29.3	Very low	28.7	Very low	128 Å²	128	127.3 Å²	127.3	90%	0.895	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-75	116.2	-172.4	-48.4	0	0	0	0	111.8
679	Q	26.6	Very low	29.2	Very low	190 Å²	190	127.6 Å²	127.6	89%	0.888	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-77.9	123.9	171.8	-72.6	-172.8	-19.2	0	0	111.1	T677	T677-Q679 PolarHBondContact O-N 3.3Å
680	A	26.1	Very low	29.4	Very low	91 Å²	91	126 Å²	126	75%	0.752	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-67.9	140	162.9	0	0	0	0	0	109.4	V682	A680-V682 PolarHBondContact O-N 2.99Å; A680-V682 VanDerWaalsContact O-N 3.13Å
681	S	29.6	Very low	29.7	Very low	107 Å²	107	117.4 Å²	117.4	75%	0.748	74%	0.739	S	S	*	*			trans	-68	111.8	179.3	57.2	0	0	0	0	110.9	D683	S681-D683 PolarHBondContact O-N 3.03Å
682	V	28	Very low	29.9	Very low	124 Å²	124	112 Å²	112	75%	0.752	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-62.8	124.7	161.3	-177.2	0	0	0	0	107.3	A680	A680-V682 PolarHBondContact O-N 2.99Å; A680-V682 VanDerWaalsContact O-N 3.13Å
683	D	33.7	Very low	30.6	Very low	114 Å²	114	107.7 Å²	107.7	61%	0.61	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-86.9	119.4	165.6	-92.7	-46.1	0	0	0	106.8	K242 S681 D685	K242-D683 VanDerWaalsContact NZ-CG 3.26Å; K242-D683 IonicContact NZ-OD1 2.63Å; K242-D683 PolarHBondContact NZ-OD1 2.63Å; K242-D683 IonicContact NZ-OD2 3.03Å; K242-D683 PolarHBondContact NZ-OD2 3.3Å; S681-D683 PolarHBondContact O-N 3.03Å; D683-D685 PolarHBondContact O-N 3.49Å
684	D	32.4	Very low	31.2	Very low	146 Å²	146	104.7 Å²	104.7	78%	0.781	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-64.9	117.3	175.2	-63.2	-79.9	0	0	0	111.3	D686	D684-D686 PolarHBondContact O-N 2.96Å
685	D	32.5	Very low	32.1	Very low	125 Å²	125	99.7 Å²	99.7	67%	0.668	60%	0.604	S	S	*	*			trans	-87.8	91.1	167.4	-100.1	-50.6	0	0	0	108.4	K204 D683	K204-D685 IonicContact NZ-OD1 3.77Å; K204-D685 PolarHBondContact NZ-OD1 2.58Å; K204-D685 IonicContact NZ-OD2 3.93Å; K204-D685 PolarHBondContact NZ-OD2 2.79Å; D683-D685 PolarHBondContact O-N 3.49Å
686	D	31.9	Very low	32.5	Very low	149 Å²	149	97.8 Å²	97.8	80%	0.797	58%	0.577	S	S	*	*			trans	-72.2	123.3	170.4	-95.5	-47.7	0	0	0	111.2	D684	D684-D686 PolarHBondContact O-N 2.96Å
687	D	30.3	Very low	32.9	Very low	148 Å²	148	95.2 Å²	95.2	79%	0.791	56%	0.559	S	S	*	*			trans	-80.6	117.6	-179.7	-106.7	-42.5	0	0	0	112.9
688	V	32.8	Very low	33.5	Very low	105 Å²	105	93.4 Å²	93.4	64%	0.636	54%	0.542	S	S	*	.			trans	-140.6	117.7	166.7	-175.4	0	0	0	0	111.2
689	P	35.5	Very low	33.6	Very low	108 Å²	108	93.6 Å²	93.6	70%	0.701	53%	0.533	S	S	*	.			trans	-86.7	166.4	174.5	34.7	-35	0	0	0	113.2
690	V	33.6	Very low	33.9	Very low	89 Å²	89	95.1 Å²	95.1	54%	0.539	53%	0.531	S	S	.	.			trans	77.7	105.8	179.3	-170.6	0	0	0	0	114.6	A183	A183-V690 WeakPolarHBondContact CB-O 3.16Å
691	S	35	Very low	33.9	Very low	6 Å²	6	97.1 Å²	97.1	4%	0.042	53%	0.534	C	S	.	.			trans	-71.8	142.3	159.6	-52.3	0	0	0	0	111.7	D410 Q413	D410-S691 WeakPolarHBondContact OD2-CB 3.44Å; D410-S691 PolarHBondContact OD2-OG 3.15Å; D410-S691 VanDerWaalsContact OD2-OG 3.1Å; Q413-S691 PolarHBondContact NE2-OG 2.86Å; Q413-S691 VanDerWaalsContact NE2-OG 3.11Å
692	D	32.1	Very low	33.8	Very low	59 Å²	59	103.1 Å²	103.1	32%	0.316	54%	0.54	S	S	.	.			trans	-120.4	133.8	165.3	-91.6	-32.4	0	0	0	109	K287	K287-D692 WeakPolarHBondContact CE-OD1 3.25Å; K287-D692 IonicContact NZ-OD1 3.07Å; K287-D692 PolarHBondContact NZ-OD1 3.22Å; K287-D692 IonicContact NZ-OD2 2.68Å
693	I	41.4	Very low	33.6	Very low	28 Å²	28	103.5 Å²	103.5	14%	0.144	54%	0.543	C	S	.	.			trans	-69.7	140.5	-176	-43	-176.6	0	0	0	111	D264 L331 I409 F695	D264-I693 HydrophobicContact CB-CD1 3.86Å; D264-I693 HydrophobicContact CB-CG1 4.33Å; D264-I693 WeakPolarHBondContact OD2-CD1 3.39Å; D264-I693 WeakPolarHBondContact OD2-CG1 3.44Å; L331-I693 HydrophobicContact CB-CD1 4.1Å; L331-I693 HydrophobicContact CD1-CD1 3.95Å; L331-I693 HydrophobicContact CD2-CD1 4.31Å; L331-I693 HydrophobicContact CD2-CG2 4.41Å; L331-I693 HydrophobicContact CG-CD1 4.35Å; I409-I693 HydrophobicContact CD1-CD1 3.48Å; I409-I693 VanDerWaalsContact CD1-CD1 3.48Å; I409-I693 HydrophobicContact CD1-CG1 3.57Å; I409-I693 HydrophobicContact CG1-CD1 3.92Å; I693-F695 HydrophobicContact CB-CE2 3.73Å; I693-F695 HydrophobicContact CB-CZ 3.83Å; I693-F695 HydrophobicContact CD1-CZ 4.31Å; I693-F695 HydrophobicContact CG2-CE1 4.12Å; I693-F695 HydrophobicContact CG2-CE2 3.8Å; I693-F695 HydrophobicContact CG2-CZ 3.48Å; I693-F695 VanDerWaalsContact CG2-CZ 3.48Å
694	Y	40	Very low	33.2	Very low	19 Å²	19	107.6 Å²	107.6	8%	0.075	55%	0.551	C	S	.	*			trans	-84.2	141.1	169.9	-176.6	-88.1	0	0	0	113.1	L178 S179 N180 P696 P697	L178-Y694 WeakPolarHBondContact CA-OH 3.3Å; L178-Y694 HydrophobicContact CB-CD1 3.69Å; L178-Y694 HydrophobicContact CB-CD2 4.19Å; L178-Y694 HydrophobicContact CB-CE1 3.32Å; L178-Y694 HydrophobicContact CB-CE2 3.84Å; L178-Y694 HydrophobicContact CB-CG 4.11Å; L178-Y694 HydrophobicContact CD1-CD1 3.3Å; L178-Y694 HydrophobicContact CD1-CE1 3.32Å; L178-Y694 HydrophobicContact CD1-CG 4.28Å; L178-Y694 HydrophobicContact CD2-CD1 4.44Å; L178-Y694 HydrophobicContact CD2-CE1 3.6Å; L178-Y694 HydrophobicContact CG-CD1 3.94Å; L178-Y694 HydrophobicContact CG-CE1 3.52Å; S179-Y694 PolarHBondContact N-OH 3.41Å; N180-Y694 HydrophobicContact CB-CD2 3.82Å; N180-Y694 HydrophobicContact CB-CE2 3.59Å; N180-Y694 WeakPolarHBondContact ND2-CE2 3.5Å; N180-Y694 WeakPolarHBondContact O-CD2 3.36Å; Y694-P696 VanDerWaalsContact CE1-CA 3.47Å; Y694-P696 HydrophobicContact CE1-CB 4.14Å; Y694-P697 WeakPolarHBondContact OH-CD 3.42Å
695	F	44.7	Very low	32.7	Very low	26 Å²	26	105.7 Å²	105.7	11%	0.114	55%	0.549	C	S	.	.			trans	-134.8	144.3	162.9	-55.8	-81.4	0	0	0	110.9	L253 K262 T285 L331 I693	L253-F695 HydrophobicContact CD1-CD1 4.28Å; L253-F695 HydrophobicContact CD1-CE1 3.71Å; L253-F695 HydrophobicContact CG-CE1 4.4Å; K262-F695 HydrophobicContact CD-CD1 3.73Å; K262-F695 HydrophobicContact CD-CD2 4.33Å; K262-F695 HydrophobicContact CD-CE1 3.99Å; K262-F695 HydrophobicContact CD-CG 3.91Å; K262-F695 HydrophobicContact CD-CZ 4.39Å; K262-F695 VanDerWaalsContact NZ-CG 3.29Å; T285-F695 HydrophobicContact CG2-CD2 4.25Å; T285-F695 HydrophobicContact CG2-CE2 3.44Å; T285-F695 VanDerWaalsContact CG2-CE2 3.44Å; T285-F695 HydrophobicContact CG2-CZ 4.13Å; T285-F695 WeakPolarHBondContact OG1-CD2 3.36Å; T285-F695 WeakPolarHBondContact OG1-CE2 3.23Å; L331-F695 HydrophobicContact CD1-CE1 3.88Å; L331-F695 HydrophobicContact CD1-CZ 3.56Å; L331-F695 HydrophobicContact CD2-CE1 4.1Å; L331-F695 HydrophobicContact CD2-CZ 4.26Å; I693-F695 HydrophobicContact CB-CE2 3.73Å; I693-F695 HydrophobicContact CB-CZ 3.83Å; I693-F695 HydrophobicContact CD1-CZ 4.31Å; I693-F695 HydrophobicContact CG2-CE1 4.12Å; I693-F695 HydrophobicContact CG2-CE2 3.8Å; I693-F695 HydrophobicContact CG2-CZ 3.48Å; I693-F695 VanDerWaalsContact CG2-CZ 3.48Å
696	P	35.2	Very low	32.6	Very low	35 Å²	35	103.8 Å²	103.8	23%	0.227	54%	0.543	C	S	.	.			trans	-70.7	137.1	-176.3	27.2	-33.9	0	0	0	112.5	R255 Y694	R255-P696 VanDerWaalsContact CZ-CB 3.5Å; Y694-P696 VanDerWaalsContact CE1-CA 3.47Å; Y694-P696 HydrophobicContact CE1-CB 4.14Å
697	P	32.6	Very low	32.3	Very low	76 Å²	76	103.4 Å²	103.4	49%	0.494	54%	0.54	S	S	.	.			trans	-75.8	149.2	159.3	33.8	-32.4	0	0	0	109.9	Y694	Y694-P697 WeakPolarHBondContact OH-CD 3.42Å
698	E	39.9	Very low	32.2	Very low	88 Å²	88	104.3 Å²	104.3	41%	0.411	54%	0.54	S	S	.	.			trans	-125.1	75.9	174.7	-76.7	164.3	167.4	0	0	108	R255 K283	R255-E698 WeakPolarHBondContact CD-OE1 3.5Å; R255-E698 WeakPolarHBondContact CG-OE1 3.5Å; R255-E698 IonicContact CZ-OE1 3.48Å; R255-E698 IonicContact NE-OE1 2.68Å; R255-E698 IonicContact NH1-OE1 3.65Å; R255-E698 PolarHBondContact NH1-OE1 3.47Å; K283-E698 IonicContact NZ-OE2 3.65Å; K283-E698 PolarHBondContact NZ-OE2 3.33Å
699	D	32.5	Very low	31.9	Very low	133 Å²	133	110.4 Å²	110.4	71%	0.711	55%	0.553	S	S	*	*			trans	-145.6	85.3	176.6	-88.2	-54.3	0	0	0	110.3
700	R	31.7	Very low	31.5	Very low	222 Å²	222	108.7 Å²	108.7	84%	0.838	56%	0.555	S	S	*	*			trans	-140	92.2	154.1	-82.5	-160.6	169.4	-164.9	-3.9	108.9	W702	R700-W702 PolarHBondContact O-N 3.13Å
701	T	27.3	Very low	31.3	Very low	133 Å²	133	109.8 Å²	109.8	82%	0.816	57%	0.566	S	S	*	*			trans	-63.5	124.5	165.5	40	0	0	0	0	109.3
702	W	27.5	Very low	31	Very low	232 Å²	232	117.3 Å²	117.3	88%	0.879	60%	0.601	S	S	*	*			trans	-86.2	113.3	177	-69.1	93.3	0	0	0	109.9	R700 Y704	R700-W702 PolarHBondContact O-N 3.13Å; W702-Y704 PolarHBondContact O-N 3.17Å
703	V	23.8	Very low	30.8	Very low	133 Å²	133	119.7 Å²	119.7	81%	0.806	62%	0.622	S	S	*	*			trans	-78.6	113.3	161.9	179	0	0	0	0	107.1
704	Y	23.6	Very low	30.2	Very low	200 Å²	200	126.7 Å²	126.7	78%	0.784	65%	0.652	S	S	*	*			trans	-82.8	121.5	-176.9	-165.9	-95.8	0	0	0	110.7	W702 P706	W702-Y704 PolarHBondContact O-N 3.17Å; Y704-P706 HydrophobicContact CE1-CB 4.14Å
705	S	22.5	Very low	29.7	Very low	105 Å²	105	132 Å²	132	73%	0.734	69%	0.687	S	S	*	*			trans	-115.3	111.5	169	-69.1	0	0	0	0	109
706	P	29.8	Very low	29	Very low	85 Å²	85	138.7 Å²	138.7	55%	0.552	72%	0.723	S	S	*	*			trans	-75.8	-177.4	170.1	33.5	-34.3	0	0	0	111.1	Y704	Y704-P706 HydrophobicContact CE1-CB 4.14Å
707	L	27	Very low	29.2	Very low	141 Å²	141	142.7 Å²	142.7	74%	0.738	75%	0.749	S	S	*	*			trans	76.8	129.3	180	-43	-174.9	0	0	0	113.7
708	H	27.9	Very low	29.3	Very low	167 Å²	167	147.3 Å²	147.3	77%	0.773	77%	0.769	S	S	*	*			cis	-148.9	146.4	-10.1	-91.3	126	0	0	0	108.5
709	Y	26.8	Very low	28.8	Very low	233 Å²	233	146.6 Å²	146.6	91%	0.914	79%	0.785	S	S	*	*			trans	-144.2	106.6	149.8	-143.5	-88.9	0	0	0	108.8
710	G	26.6	Very low	28.8	Very low	72 Å²	72	146.6 Å²	146.6	74%	0.742	79%	0.785	S	S	*	*			trans	-92	121.1	179.6	0	0	0	0	0	110.6
711	S	29.8	Very low	28.9	Very low	112 Å²	112	145.6 Å²	145.6	78%	0.783	78%	0.782	S	S	*	*			trans	-90.8	121.3	164.6	37.5	0	0	0	0	109.4	S713	S711-S713 PolarHBondContact O-N 3.38Å
712	E	27.5	Very low	29.1	Very low	164 Å²	164	145.5 Å²	145.5	77%	0.766	77%	0.772	S	S	*	*			trans	-67.9	112.1	177.9	-73.2	-175.6	88.6	0	0	111.4	K714	E712-K714 WeakPolarHBondContact OE1-CE 3.37Å; E712-K714 IonicContact OE1-NZ 2.79Å; E712-K714 PolarHBondContact OE1-NZ 2.8Å
713	S	28.7	Very low	29.4	Very low	110 Å²	110	143.5 Å²	143.5	77%	0.769	76%	0.764	S	S	*	*			trans	-101.9	97.6	161	46.6	0	0	0	0	109.7	S711 T715	S711-S713 PolarHBondContact O-N 3.38Å; S713-T715 PolarHBondContact O-N 3.45Å
714	K	28.9	Very low	29.9	Very low	174 Å²	174	144.6 Å²	144.6	76%	0.757	76%	0.761	S	S	*	*			trans	-73.7	107.9	178	-78.9	175.2	178.1	153.3	0	111.1	E712	E712-K714 WeakPolarHBondContact OE1-CE 3.37Å; E712-K714 IonicContact OE1-NZ 2.79Å; E712-K714 PolarHBondContact OE1-NZ 2.8Å
715	T	28.9	Very low	30.7	Very low	132 Å²	132	145.3 Å²	145.3	81%	0.81	79%	0.786	S	S	*	*			trans	-81	145.1	160.3	47.3	0	0	0	0	110.3	S713	S713-T715 PolarHBondContact O-N 3.45Å
716	L	31.3	Very low	31.1	Very low	166 Å²	166	147.3 Å²	147.3	87%	0.869	79%	0.788	S	S	*	*			trans	-121.7	153.3	165.1	-79.3	173.9	0	0	0	108.3
717	P	38.7	Very low	31.2	Very low	119 Å²	119	150.6 Å²	150.6	77%	0.773	80%	0.801	S	S	*	*			trans	-86.3	159.5	-157.9	33.9	-37.2	0	0	0	114.7
718	D	34.4	Very low	31.4	Very low	173 Å²	173	151.1 Å²	151.1	93%	0.925	80%	0.804	S	S	*	*			trans	-63	148.8	172.6	-64.4	-65.7	0	0	0	113
719	G	29.7	Very low	31.6	Very low	73 Å²	73	150.2 Å²	150.2	75%	0.753	81%	0.806	S	S	*	*			trans	-167	43.2	-170.9	0	0	0	0	0	115.9
720	D	32.6	Very low	31.9	Very low	133 Å²	133	145 Å²	145	71%	0.711	80%	0.799	S	S	*	*			trans	43.2	138.6	134.8	-134.3	12.6	0	0	0	121.8
721	W	33	Very low	32.3	Very low	201 Å²	201	149.9 Å²	149.9	76%	0.761	80%	0.803	S	S	*	*			trans	83.6	108.3	167.1	-54.5	98.7	0	0	0	122.3
722	E	32.8	Very low	32.4	Very low	131 Å²	131	152.6 Å²	152.6	61%	0.612	81%	0.805	S	S	*	*				65.4	123.5	125.3	-100.9	-164.3	-152.1	0	0	125
723	R	32.8	Very low	32.8	Very low	190 Å²	190	151.7 Å²	151.7	72%	0.717	81%	0.808	S	S	*	*				101.1	143.6	124.7	-155.6	-177.3	-64.6	-126.8	4.9	120.2
724	E	34.8	Very low	33.2	Very low	156 Å²	156	155.2 Å²	155.2	73%	0.729	81%	0.811	S	S	*	*			trans	-41	135.3	178.2	-53	146.7	112.6	0	0	116.5
725	T	40.2	Very low	33.6	Very low	214 Å²	214	153.5 Å²	153.5	100%	1.313	82%	0.816	S	S	*	*				-165.9	0	95.8	15.6	0	0	0	0	112.5

Retrieved 725 of 725 residues in 519.4 ms (Link to these results)

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