A0A5K4F460_SCHMA Loading...

Zinc finger protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F460, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 708 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.1	Very low	39.3	Very low	250 Å²	250	154.7 Å²	154.7	100%	1.232	86%	0.862	S	S	*	*				0	121.5	0	-73	174.2	152.4	0	0	108
2	A	36.7	Very low	39.4	Very low	89 Å²	89	160.3 Å²	160.3	74%	0.736	86%	0.86	S	S	*	*			cis	-161.6	146.5	-26.5	0	0	0	0	0	104.7
3	M	41.6	Very low	38.9	Very low	171 Å²	171	164.9 Å²	164.9	84%	0.842	86%	0.86	S	S	*	*			trans	90	89.7	153.5	-46.3	-135.6	70.3	0	0	118.6
4	S	37.5	Very low	39.1	Very low	107 Å²	107	165.3 Å²	165.3	75%	0.748	86%	0.859	S	S	*	*			trans	-51.1	153.3	144.3	-30.9	0	0	0	0	112.8
5	E	50.8	Low	39.2	Very low	193 Å²	193	161.6 Å²	161.6	90%	0.902	85%	0.853	S	S	*	*			trans	-154.6	125.4	144.1	-113.4	171.3	-157.6	0	0	110.6
6	E	36.3	Very low	38.8	Very low	179 Å²	179	165.9 Å²	165.9	84%	0.836	86%	0.856	S	S	*	*			trans	-86.5	152.2	-179	-62.6	175.6	144.4	0	0	110.6
7	S	45.4	Very low	39	Very low	124 Å²	124	162.8 Å²	162.8	87%	0.867	85%	0.852	S	S	*	*			trans	-148	111.4	149.5	46.6	0	0	0	0	110.8
8	E	36.2	Very low	38.9	Very low	168 Å²	168	160.3 Å²	160.3	79%	0.785	85%	0.847	S	S	*	*			trans	-67.3	155.2	168.5	-61.4	175.1	130.7	0	0	111
9	T	40.4	Very low	38.7	Very low	142 Å²	142	161.2 Å²	161.2	87%	0.871	85%	0.846	S	S	*	*				-177.5	102.8	129.2	27.9	0	0	0	0	112.3
10	S	37.1	Very low	38.7	Very low	105 Å²	105	159.9 Å²	159.9	73%	0.734	84%	0.84	S	S	*	*				56.5	91.8	125.4	168.7	0	0	0	0	119.7
11	D	30.4	Very low	38.6	Very low	174 Å²	174	159.4 Å²	159.4	93%	0.93	84%	0.838	S	S	*	*			trans	-75.2	125.1	148.7	-86.3	-42	0	0	0	110
12	R	40.2	Very low	38.2	Very low	222 Å²	222	157.4 Å²	157.4	84%	0.838	82%	0.819	S	S	*	*			trans	-128.3	103	165.6	-146.8	173.4	-165.1	161.7	3.6	111.2
13	Y	33	Very low	38.1	Very low	220 Å²	220	158.8 Å²	158.8	86%	0.863	82%	0.82	S	S	*	*			trans	-64.3	133.5	165.9	-128.7	-108.1	0	0	0	109.3
14	M	42.1	Very low	37.5	Very low	170 Å²	170	156.1 Å²	156.1	84%	0.837	81%	0.814	S	S	*	*			trans	-130.6	114.4	162.7	-86.6	-128.7	149.2	0	0	109.7
15	S	40.6	Very low	37.3	Very low	110 Å²	110	158.1 Å²	158.1	77%	0.769	82%	0.821	S	S	*	*			trans	-82	139.5	172.9	28.6	0	0	0	0	110.8
16	Y	33	Very low	36.5	Very low	230 Å²	230	154.3 Å²	154.3	90%	0.902	82%	0.816	S	S	*	*			trans	-87.2	147.7	172.9	-95.7	-100.8	0	0	0	111.4
17	S	42.1	Very low	36.2	Very low	114 Å²	114	153.6 Å²	153.6	80%	0.797	82%	0.818	S	S	*	*			trans	-123.8	140.3	155.2	-67.9	0	0	0	0	109.1
18	P	36.3	Very low	35.7	Very low	117 Å²	117	153.2 Å²	153.2	76%	0.76	82%	0.815	S	S	*	*			trans	-105.2	-179.3	178.9	39.5	-30	0	0	0	113.2
19	E	35.2	Very low	35.3	Very low	177 Å²	177	153.2 Å²	153.2	83%	0.827	82%	0.821	S	S	*	*			trans	105.6	119.4	179.3	-58.1	-173.8	-168.6	0	0	111.4
20	D	38.7	Very low	35.1	Very low	135 Å²	135	151.9 Å²	151.9	72%	0.722	82%	0.817	S	S	*	*			cis	-155.2	148.4	44.7	-85.5	-56.3	0	0	0	115.2
21	N	37.1	Very low	34.9	Very low	151 Å²	151	154.5 Å²	154.5	81%	0.807	82%	0.823	S	S	*	*			trans	37.6	128.1	145	-71.7	-59.2	0	0	0	125.5
22	Y	32.6	Very low	35	Very low	208 Å²	208	153.4 Å²	153.4	82%	0.816	82%	0.817	S	S	*	*			trans	-58.5	176.6	167.7	-91.2	-100.7	0	0	0	114.9
23	P	34.8	Very low	34.8	Very low	118 Å²	118	150 Å²	150	77%	0.766	81%	0.811	S	S	*	*			cis	-142.7	171.1	23.5	33.9	-9.2	0	0	0	119.7
24	T	28.6	Very low	34.7	Very low	115 Å²	115	145.3 Å²	145.3	71%	0.706	81%	0.805	S	S	*	*			trans	-51.6	140	171.5	43.9	0	0	0	0	117.4
25	T	33.6	Very low	34.3	Very low	148 Å²	148	144.2 Å²	144.2	91%	0.908	80%	0.802	S	S	*	*			trans	-143.8	165.4	146.3	53.4	0	0	0	0	111.6
26	S	33.8	Very low	33.8	Very low	113 Å²	113	146.9 Å²	146.9	79%	0.79	80%	0.802	S	S	*	*			trans	-99	159.3	-143.9	42.3	0	0	0	0	116.6
27	N	28.4	Very low	33.8	Very low	164 Å²	164	144.5 Å²	144.5	88%	0.877	80%	0.799	S	S	*	*			trans	-11.6	135.3	157.8	-85.3	-13.1	0	0	0	118.4
28	S	34.9	Very low	33.1	Very low	117 Å²	117	143.7 Å²	143.7	82%	0.818	79%	0.793	S	S	*	*				-166.8	127.7	126.3	43.5	0	0	0	0	111.1
29	N	28.2	Very low	33	Very low	168 Å²	168	145.5 Å²	145.5	90%	0.898	80%	0.797	S	S	*	*			trans	-66.9	143.6	167.6	-68.1	-40.8	0	0	0	110.4
30	S	37.4	Very low	32.6	Very low	114 Å²	114	146.2 Å²	146.2	80%	0.797	80%	0.8	S	S	*	*			trans	-157.2	125.6	145.2	52.6	0	0	0	0	109.2
31	D	31.1	Very low	32.3	Very low	160 Å²	160	146.1 Å²	146.1	86%	0.856	80%	0.798	S	S	*	*			trans	-57.1	143.9	173.8	-55.9	-69.9	0	0	0	111.7
32	D	34.4	Very low	31.8	Very low	151 Å²	151	143.7 Å²	143.7	81%	0.807	79%	0.793	S	S	*	*			trans	-157.1	154.7	138.3	-137	-16.7	0	0	0	114
33	H	34.3	Very low	31.7	Very low	151 Å²	151	143.7 Å²	143.7	70%	0.699	79%	0.793	S	S	*	*			trans	-67.1	152.3	-161.1	-85	-81.6	0	0	0	118.5
34	T	31.9	Very low	31.3	Very low	121 Å²	121	147.3 Å²	147.3	74%	0.742	80%	0.797	S	S	*	*			trans	65.4	147.2	141.8	60.1	0	0	0	0	116.6
35	N	32.4	Very low	31.5	Very low	147 Å²	147	148.8 Å²	148.8	79%	0.786	81%	0.805	S	S	*	*			cis	-167.8	160.6	41.1	-146.8	-11.4	0	0	0	110
36	H	30.2	Very low	31.3	Very low	165 Å²	165	150.6 Å²	150.6	76%	0.764	80%	0.804	S	S	*	*			trans	-62.4	143.6	176.1	-88.1	-73.4	0	0	0	113.7
37	H	32.9	Very low	31.1	Very low	181 Å²	181	152.1 Å²	152.1	84%	0.838	81%	0.808	S	S	*	*			trans	-153	135.1	135.9	-117.2	-70.1	0	0	0	110.5
38	S	28.8	Very low	31.5	Very low	97 Å²	97	150 Å²	150	68%	0.678	81%	0.806	S	S	*	*			trans	-124.1	128.3	-178.2	36	0	0	0	0	107.6
39	D	33.9	Very low	31.6	Very low	155 Å²	155	149.7 Å²	149.7	83%	0.829	80%	0.804	S	S	*	*			trans	-129.9	124.5	166.8	-74.1	-41.1	0	0	0	109.8
40	E	27.6	Very low	31.9	Very low	191 Å²	191	146.7 Å²	146.7	89%	0.893	80%	0.796	S	S	*	*			trans	-75.1	140.1	172.5	-73.9	-177.3	129.8	0	0	110.8
41	I	31.4	Very low	31.8	Very low	134 Å²	134	146.7 Å²	146.7	69%	0.687	80%	0.796	S	S	*	*			trans	-135.1	120.4	154.3	-54.8	-179.5	0	0	0	109.1	Y43	I41-Y43 HydrophobicContact CB-CE2 4.43Å; I41-Y43 HydrophobicContact CG2-CD2 4.04Å; I41-Y43 HydrophobicContact CG2-CE1 4.35Å; I41-Y43 HydrophobicContact CG2-CE2 3.22Å; I41-Y43 WeakPolarHBondContact CG2-OH 3.17Å
42	S	25.8	Very low	31.9	Very low	100 Å²	100	144.5 Å²	144.5	70%	0.699	79%	0.791	S	S	*	*			trans	-97	137.8	178.6	170.1	0	0	0	0	110.5
43	Y	31.4	Very low	31.7	Very low	207 Å²	207	145.7 Å²	145.7	81%	0.812	80%	0.796	S	S	*	*			trans	-138.3	125.3	161.5	-61.5	-73.6	0	0	0	111	I41	I41-Y43 HydrophobicContact CB-CE2 4.43Å; I41-Y43 HydrophobicContact CG2-CD2 4.04Å; I41-Y43 HydrophobicContact CG2-CE1 4.35Å; I41-Y43 HydrophobicContact CG2-CE2 3.22Å; I41-Y43 WeakPolarHBondContact CG2-OH 3.17Å
44	K	27.1	Very low	31.5	Very low	194 Å²	194	143.6 Å²	143.6	84%	0.843	80%	0.797	S	S	*	*			trans	-82.9	142.5	173	-75.6	176.1	173	179.4	0	110.4
45	V	31.2	Very low	31.4	Very low	146 Å²	146	145.9 Å²	145.9	89%	0.885	81%	0.805	S	S	*	*			trans	-142.8	136.8	151.8	-176.7	0	0	0	0	110.1
46	E	30.4	Very low	31.2	Very low	187 Å²	187	147 Å²	147	87%	0.874	80%	0.803	S	S	*	*			trans	-79.8	151.7	-168.7	-61.1	172.3	162.6	0	0	113.6
47	T	29.3	Very low	31.4	Very low	144 Å²	144	146.5 Å²	146.5	88%	0.883	81%	0.805	S	S	*	*			trans	-101.7	134.9	176.1	50.8	0	0	0	0	111.3
48	S	36.9	Very low	31.1	Very low	119 Å²	119	144.4 Å²	144.4	83%	0.832	80%	0.8	S	S	*	*			trans	-114.1	142.9	161.4	50.1	0	0	0	0	111.5
49	S	36.2	Very low	31.3	Very low	112 Å²	112	145.4 Å²	145.4	78%	0.783	80%	0.801	S	S	*	*			trans	-56.3	159.2	-176.5	52.2	0	0	0	0	113.6
50	S	34.8	Very low	31.1	Very low	104 Å²	104	143.8 Å²	143.8	73%	0.727	80%	0.797	S	S	*	*			cis	-179.6	138.1	47.6	44.1	0	0	0	0	109.2
51	S	35.1	Very low	31.6	Very low	114 Å²	114	145.7 Å²	145.7	80%	0.797	80%	0.796	S	S	*	*			trans	158	138.6	135.4	-75.7	0	0	0	0	112.6
52	P	33.7	Very low	31.6	Very low	115 Å²	115	147.1 Å²	147.1	75%	0.747	80%	0.8	S	S	*	*			trans	-92.5	146.4	-166.2	36.8	-31.7	0	0	0	111.5
53	L	29.5	Very low	31.9	Very low	176 Å²	176	150 Å²	150	92%	0.921	81%	0.807	S	S	*	*			trans	142.4	69.8	156.1	-76.1	164.5	0	0	0	111.7
54	C	30.3	Very low	32.2	Very low	106 Å²	106	145.9 Å²	145.9	72%	0.716	81%	0.805	S	S	*	*			trans	-173.9	132.4	141.9	-142.1	0	0	0	0	110.4	F56	C54-F56 HydrophobicContact CB-CD2 4.32Å; C54-F56 HydrophobicContact CB-CE2 4.3Å; C54-F56 PolarHBondContact O-N 2.6Å
55	N	30	Very low	32.4	Very low	170 Å²	170	145.1 Å²	145.1	91%	0.909	80%	0.802	S	S	*	*			trans	-62.6	92.3	174.8	-81.7	-26	0	0	0	111.2
56	F	28	Very low	32.4	Very low	169 Å²	169	144.2 Å²	144.2	74%	0.741	80%	0.799	S	S	*	*			trans	-85.6	111.2	168.8	-89.9	-90.6	0	0	0	109.9	C54 N58	C54-F56 HydrophobicContact CB-CD2 4.32Å; C54-F56 HydrophobicContact CB-CE2 4.3Å; C54-F56 PolarHBondContact O-N 2.6Å; F56-N58 PolarHBondContact O-N 3.47Å
57	I	35.5	Very low	32.5	Very low	156 Å²	156	146.8 Å²	146.8	80%	0.8	80%	0.8	S	S	*	*			trans	-72.7	90.3	156.9	-59.6	176	0	0	0	106.2	V59	I57-V59 HydrophobicContact CG2-CG2 3.95Å; I57-V59 PolarHBondContact O-N 2.9Å
58	N	26.7	Very low	33	Very low	137 Å²	137	149.5 Å²	149.5	73%	0.733	80%	0.8	S	S	*	*			trans	-67	95.7	167.6	-93.9	-17.9	0	0	0	108.8	F56 T60	F56-N58 PolarHBondContact O-N 3.47Å; N58-T60 PolarHBondContact O-N 3.45Å
59	V	31.8	Very low	33	Very low	117 Å²	117	152.5 Å²	152.5	71%	0.709	80%	0.801	S	S	*	*			trans	-87.1	93.2	159.3	-175.3	0	0	0	0	106.6	I57 R61	I57-V59 HydrophobicContact CG2-CG2 3.95Å; I57-V59 PolarHBondContact O-N 2.9Å; V59-R61 PolarHBondContact O-N 2.85Å
60	T	31.5	Very low	33.7	Very low	121 Å²	121	156.9 Å²	156.9	74%	0.742	80%	0.8	S	S	*	*			trans	-49.3	119.4	163.4	39.1	0	0	0	0	108.5	N58 E62	N58-T60 PolarHBondContact O-N 3.45Å; T60-E62 PolarHBondContact O-N 3.26Å; T60-E62 VanDerWaalsContact O-N 3.07Å
61	R	36.3	Very low	34.5	Very low	231 Å²	231	154.8 Å²	154.8	87%	0.872	78%	0.783	S	S	*	*			trans	-76.8	93.8	179.2	-98.4	177.4	156.6	168.4	-3.7	108.8	V59	V59-R61 PolarHBondContact O-N 2.85Å
62	E	31.9	Very low	35.6	Very low	164 Å²	164	153 Å²	153	77%	0.766	77%	0.769	S	S	*	*			trans	-59.9	134.5	150.3	-69.7	-151	161.8	0	0	109.3	T60	T60-E62 PolarHBondContact O-N 3.26Å; T60-E62 VanDerWaalsContact O-N 3.07Å
63	L	32.9	Very low	37	Very low	161 Å²	161	150.6 Å²	150.6	84%	0.843	75%	0.749	S	S	*	*			trans	-52.5	130.2	171.8	-78.1	162.9	0	0	0	109.2	K65	L63-K65 PolarHBondContact O-N 3.03Å; L63-K65 VanDerWaalsContact O-N 3.07Å
64	P	37.5	Very low	38.6	Very low	120 Å²	120	147.7 Å²	147.7	78%	0.779	74%	0.744	S	S	*	*			trans	-67	115.8	-178.1	25	-29.4	0	0	0	109.4
65	K	31.5	Very low	40.1	Very low	179 Å²	179	146 Å²	146	78%	0.778	74%	0.737	S	S	*	*			trans	-42.3	138.5	171.1	-66.4	-179.9	-179.6	180	0	110.7	L63 R67	L63-K65 PolarHBondContact O-N 3.03Å; L63-K65 VanDerWaalsContact O-N 3.07Å; K65-R67 PolarHBondContact O-N 2.8Å
66	P	30.6	Very low	41.8	Very low	126 Å²	126	139.7 Å²	139.7	82%	0.818	70%	0.703	S	S	*	*			trans	-54	126.6	-178.2	20.5	-30.9	0	0	0	110	K68	P66-K68 PolarHBondContact O-N 3.11Å
67	R	33.2	Very low	44.3	Very low	241 Å²	241	136.4 Å²	136.4	91%	0.909	69%	0.693	S	S	*	*			trans	-75.7	113.4	-175.3	-152.8	178.8	-170.8	-154.2	0.2	107.8	K65 Q69	K65-R67 PolarHBondContact O-N 2.8Å; R67-Q69 PolarHBondContact O-N 3.5Å
68	K	38.8	Very low	46.4	Very low	202 Å²	202	134.4 Å²	134.4	88%	0.878	68%	0.68	S	S	*	*			trans	-45.3	117.2	170.8	-66.5	-173.1	179	-172.1	0	108.8	P66 R70	P66-K68 PolarHBondContact O-N 3.11Å; K68-R70 PolarHBondContact O-N 3.34Å
69	Q	37.8	Very low	48.9	Very low	181 Å²	181	131.2 Å²	131.2	85%	0.846	67%	0.673	S	S	*	*			trans	-58.4	129.3	178	-74	-176	-5.4	0	0	108.4	R67 V71	R67-Q69 PolarHBondContact O-N 3.5Å; Q69-V71 PolarHBondContact O-N 3.42Å
70	R	49.6	Very low	51.1	Low	205 Å²	205	128.3 Å²	128.3	77%	0.774	66%	0.655	S	S	*	*			trans	-77.3	104.2	171.6	-87.8	-173.7	-178.5	-170.5	-2.2	107.7	K68	K68-R70 PolarHBondContact O-N 3.34Å
71	V	51.4	Low	53.4	Low	59 Å²	59	123.1 Å²	123.1	36%	0.358	62%	0.623	S	S	.	*			trans	-68	127.8	170.7	-174.4	0	0	0	0	108.2	Q69 A75 M76	Q69-V71 PolarHBondContact O-N 3.42Å; V71-A75 HydrophobicContact CG1-CB 3.62Å; V71-M76 HydrophobicContact CB-CE 3.62Å; V71-M76 HydrophobicContact CB-CG 4.42Å; V71-M76 HydrophobicContact CG1-CE 4.21Å; V71-M76 HydrophobicContact CG1-CG 3.97Å; V71-M76 HydrophobicContact CG2-CE 4.44Å
72	P	58.5	Low	55.6	Low	77 Å²	77	115.9 Å²	115.9	50%	0.5	60%	0.601	S	S	.	*			trans	-60.5	152.4	174.4	-21.5	32.9	0	0	0	111.5	S74 A75	P72-S74 PolarHBondContact O-N 2.92Å; P72-A75 PolarHBondContact O-N 2.97Å
73	N	63.4	Low	57.9	Low	64 Å²	64	111.6 Å²	111.6	34%	0.342	59%	0.593	S	S	.	*	G	3₁₀ helix	trans	-53.5	-31.2	175.1	-74.7	7.4	0	0	0	112.2	A75 M76 L81 R85	N73-A75 PolarHBondContact O-N 3.12Å; N73-M76 PolarHBondContact O-N 2.82Å; N73-L81 HydrophobicContact CB-CD1 3.82Å; N73-L81 VanDerWaalsContact CG-CD1 3.47Å; N73-L81 WeakPolarHBondContact OD1-CD1 3.45Å; N73-R85 PolarHBondContact OD1-NH1 3.17Å
74	S	62.5	Low	60.2	Low	116 Å²	116	108.5 Å²	108.5	81%	0.811	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-71	-7.9	-179	63.5	0	0	0	0	114.8	P72	P72-S74 PolarHBondContact O-N 2.92Å
75	A	61.7	Low	62.4	Low	69 Å²	69	104.3 Å²	104.3	57%	0.57	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-117.4	6.9	-177.8	0	0	0	0	0	112.6	V71 P72 N73	V71-A75 HydrophobicContact CG1-CB 3.62Å; P72-A75 PolarHBondContact O-N 2.97Å; N73-A75 PolarHBondContact O-N 3.12Å
76	M	66.5	Low	64.9	Low	39 Å²	39	99 Å²	99	19%	0.192	53%	0.529	C	S	.	.	S	Bend	trans	-107.2	139	171.8	-63.5	-176	177.5	0	0	108.3	V71 N73 T80 L81 L84	V71-M76 HydrophobicContact CB-CE 3.62Å; V71-M76 HydrophobicContact CB-CG 4.42Å; V71-M76 HydrophobicContact CG1-CE 4.21Å; V71-M76 HydrophobicContact CG1-CG 3.97Å; V71-M76 HydrophobicContact CG2-CE 4.44Å; N73-M76 PolarHBondContact O-N 2.82Å; M76-T80 HydrophobicContact CB-CG2 4.46Å; M76-T80 HydrophobicContact CG-CG2 4.43Å; M76-T80 HydrophobicContact SD-CG2 4.26Å; M76-L81 HydrophobicContact CB-CB 4.34Å; M76-L81 HydrophobicContact CB-CD1 4.5Å; M76-L81 HydrophobicContact SD-CD1 4.25Å; M76-L84 HydrophobicContact CE-CD1 3.61Å; M76-L84 HydrophobicContact SD-CD1 3.87Å
77	D	80.2	Confident	67.6	Low	100 Å²	100	96.8 Å²	96.8	54%	0.535	51%	0.507	S	S	.	.			trans	-60.9	157.7	163.4	61.6	38.8	0	0	0	110.2	A79 T80 L81	D77-A79 PolarHBondContact O-N 2.82Å; D77-A79 PolarHBondContact OD1-N 3.49Å; D77-T80 PolarHBondContact O-N 2.95Å; D77-T80 WeakPolarHBondContact OD1-CA 3.43Å; D77-T80 WeakPolarHBondContact OD1-CB 3.34Å; D77-T80 PolarHBondContact OD1-N 3.16Å; D77-T80 PolarHBondContact OD1-OG1 3.44Å; D77-T80 PolarHBondContact OD2-OG1 3.31Å; D77-L81 WeakPolarHBondContact O-CB 3.48Å; D77-L81 PolarHBondContact O-N 3.38Å
78	E	79.3	Confident	70.1	Confident	113 Å²	113	91.3 Å²	91.3	53%	0.528	49%	0.49	S	S	.	.	H	α-helix	trans	-61.7	-33.6	-174.8	-173	60.4	-147.7	0	0	111.4	L81 I82 R95	E78-L81 PolarHBondContact O-N 2.71Å; E78-I82 HydrophobicContact CG-CD1 3.93Å; E78-I82 HydrophobicContact CG-CG1 4.46Å; E78-I82 WeakPolarHBondContact O-CB 3.39Å; E78-I82 VanDerWaalsContact O-CD1 3.32Å; E78-I82 WeakPolarHBondContact O-CD1 3.49Å; E78-I82 WeakPolarHBondContact O-CG1 3.45Å; E78-I82 PolarHBondContact O-N 3.41Å; E78-R95 IonicContact OE1-CZ 3.74Å; E78-R95 IonicContact OE1-NH1 2.69Å; E78-R95 PolarHBondContact OE1-NH1 2.88Å
79	A	80	Confident	72.3	Confident	70 Å²	70	81.7 Å²	81.7	58%	0.579	45%	0.448	S	S	*	.	H	α-helix	trans	-63.9	-46.1	178.2	0	0	0	0	0	112.2	D77 I82 A83	D77-A79 PolarHBondContact O-N 2.82Å; D77-A79 PolarHBondContact OD1-N 3.49Å; A79-I82 PolarHBondContact O-N 3.01Å; A79-A83 WeakPolarHBondContact O-CB 3.22Å; A79-A83 PolarHBondContact O-N 3.23Å
80	T	78.4	Confident	74.5	Confident	56 Å²	56	78.3 Å²	78.3	34%	0.344	44%	0.436	S	S	.	.	H	α-helix	trans	-68.5	-37.3	177	-58.4	0	0	0	0	110.9	M76 D77 A83 L84	M76-T80 HydrophobicContact CB-CG2 4.46Å; M76-T80 HydrophobicContact CG-CG2 4.43Å; M76-T80 HydrophobicContact SD-CG2 4.26Å; D77-T80 PolarHBondContact O-N 2.95Å; D77-T80 WeakPolarHBondContact OD1-CA 3.43Å; D77-T80 WeakPolarHBondContact OD1-CB 3.34Å; D77-T80 PolarHBondContact OD1-N 3.16Å; D77-T80 PolarHBondContact OD1-OG1 3.44Å; D77-T80 PolarHBondContact OD2-OG1 3.31Å; T80-A83 PolarHBondContact O-N 3.26Å; T80-L84 HydrophobicContact CG2-CD1 3.75Å; T80-L84 HydrophobicContact CG2-CG 4.25Å; T80-L84 WeakPolarHBondContact O-CB 3.42Å; T80-L84 WeakPolarHBondContact O-CG 3.42Å; T80-L84 PolarHBondContact O-N 3.3Å
81	L	80.3	Confident	76	Confident	12 Å²	12	74.1 Å²	74.1	6%	0.063	43%	0.425	C	S	.	.	H	α-helix	trans	-63.2	-43.2	174.3	-170	76.8	0	0	0	111.3	N73 M76 D77 E78 R85 R95	N73-L81 HydrophobicContact CB-CD1 3.82Å; N73-L81 VanDerWaalsContact CG-CD1 3.47Å; N73-L81 WeakPolarHBondContact OD1-CD1 3.45Å; M76-L81 HydrophobicContact CB-CB 4.34Å; M76-L81 HydrophobicContact CB-CD1 4.5Å; M76-L81 HydrophobicContact SD-CD1 4.25Å; D77-L81 WeakPolarHBondContact O-CB 3.48Å; D77-L81 PolarHBondContact O-N 3.38Å; E78-L81 PolarHBondContact O-N 2.71Å; L81-R85 CarbonylContact O-C 3.49Å; L81-R85 WeakPolarHBondContact O-CA 3.28Å; L81-R85 WeakPolarHBondContact O-CB 3.44Å; L81-R85 PolarHBondContact O-N 3.37Å; L81-R95 HydrophobicContact CD2-CG 4.44Å
82	I	81.6	Confident	77.3	Confident	79 Å²	79	74.3 Å²	74.3	41%	0.405	43%	0.429	S	S	.	.	H	α-helix	trans	-60.9	-46.6	174	-68.8	157.8	0	0	0	110.5	E78 A79 R85 P86 R95	E78-I82 HydrophobicContact CG-CD1 3.93Å; E78-I82 HydrophobicContact CG-CG1 4.46Å; E78-I82 WeakPolarHBondContact O-CB 3.39Å; E78-I82 VanDerWaalsContact O-CD1 3.32Å; E78-I82 WeakPolarHBondContact O-CD1 3.49Å; E78-I82 WeakPolarHBondContact O-CG1 3.45Å; E78-I82 PolarHBondContact O-N 3.41Å; A79-I82 PolarHBondContact O-N 3.01Å; I82-R85 CarbonylContact O-C 3.43Å; I82-P86 VanDerWaalsContact O-CA 3.28Å; I82-P86 WeakPolarHBondContact O-CA 3.39Å; I82-R95 VanDerWaalsContact CG1-NH2 3.33Å
83	A	79.9	Confident	78.4	Confident	74 Å²	74	73.2 Å²	73.2	61%	0.612	43%	0.431	S	S	*	.	H	α-helix	trans	-66.2	-44.4	-177.4	0	0	0	0	0	113.1	A79 T80	A79-A83 WeakPolarHBondContact O-CB 3.22Å; A79-A83 PolarHBondContact O-N 3.23Å; T80-A83 PolarHBondContact O-N 3.26Å
84	L	80.7	Confident	79.2	Confident	96 Å²	96	75.4 Å²	75.4	50%	0.503	44%	0.438	S	S	.	.	H	α-helix	trans	-83.3	-25.6	-178.2	-66.1	177.8	0	0	0	113	M76 T80	M76-L84 HydrophobicContact CE-CD1 3.61Å; M76-L84 HydrophobicContact SD-CD1 3.87Å; T80-L84 HydrophobicContact CG2-CD1 3.75Å; T80-L84 HydrophobicContact CG2-CG 4.25Å; T80-L84 WeakPolarHBondContact O-CB 3.42Å; T80-L84 WeakPolarHBondContact O-CG 3.42Å; T80-L84 PolarHBondContact O-N 3.3Å
85	R	84.4	Confident	80.3	Confident	33 Å²	33	71.7 Å²	71.7	13%	0.125	41%	0.406	C	S	.	.			trans	-133.3	73.1	-178.1	-61.7	-172.3	166.3	145.1	10.8	110.4	N73 L81 I82 F87 R95 L96 E97	N73-R85 PolarHBondContact OD1-NH1 3.17Å; L81-R85 CarbonylContact O-C 3.49Å; L81-R85 WeakPolarHBondContact O-CA 3.28Å; L81-R85 WeakPolarHBondContact O-CB 3.44Å; L81-R85 PolarHBondContact O-N 3.37Å; I82-R85 CarbonylContact O-C 3.43Å; R85-F87 VanDerWaalsContact C-N 3.26Å; R85-F87 PolarHBondContact O-N 3.47Å; R85-R95 HydrophobicContact CB-CB 3.75Å; R85-R95 PolarHBondContact O-NE 2.8Å; R85-L96 CarbonylContact C-O 3.41Å; R85-L96 WeakPolarHBondContact CA-O 3.42Å; R85-E97 HydrophobicContact CG-CG 3.76Å; R85-E97 IonicContact CZ-OE1 3.63Å; R85-E97 IonicContact NE-OE1 3.4Å; R85-E97 PolarHBondContact NE-OE1 3.43Å; R85-E97 IonicContact NH2-OE1 2.96Å; R85-E97 PolarHBondContact NH2-OE1 2.82Å
86	P	83.9	Confident	81.4	Confident	66 Å²	66	69.8 Å²	69.8	43%	0.429	39%	0.386	S	S	.	.			trans	-65.3	-31.4	-173.3	-17.8	30	0	0	0	112.8	I82 K88	I82-P86 VanDerWaalsContact O-CA 3.28Å; I82-P86 WeakPolarHBondContact O-CA 3.39Å; P86-K88 PolarHBondContact O-N 3.39Å
87	F	87.3	Confident	82.1	Confident	81 Å²	81	72.2 Å²	72.2	36%	0.355	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	99.3	-168.2	-58.7	-79.4	0	0	0	111.3	R85 R95 L96 A99 L102	R85-F87 VanDerWaalsContact C-N 3.26Å; R85-F87 PolarHBondContact O-N 3.47Å; F87-R95 CarbonylContact O-C 3.59Å; F87-R95 WeakPolarHBondContact O-CA 3.37Å; F87-L96 PolarHBondContact N-O 3.42Å; F87-L96 PolarHBondContact O-N 3.14Å; F87-A99 HydrophobicContact CD1-CB 3.93Å; F87-A99 VanDerWaalsContact CD2-N 3.32Å; F87-A99 HydrophobicContact CE1-CB 3.6Å; F87-A99 HydrophobicContact CE2-CB 4.35Å; F87-A99 VanDerWaalsContact CE2-N 3.33Å; F87-A99 HydrophobicContact CG-CB 4.43Å; F87-A99 HydrophobicContact CZ-CB 3.83Å; F87-L102 HydrophobicContact CB-CB 4.14Å; F87-L102 HydrophobicContact CB-CD2 3.83Å
88	K	85.3	Confident	82.4	Confident	125 Å²	125	74 Å²	74	54%	0.543	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	142.8	173.2	71.9	-179.3	-175	178.9	0	111.6	P86 R95 L102	P86-K88 PolarHBondContact O-N 3.39Å; K88-R95 HydrophobicContact CB-CG 4.17Å; K88-L102 VanDerWaalsContact O-CD2 3.28Å; K88-L102 WeakPolarHBondContact O-CD2 3.28Å
89	C	85.5	Confident	82.7	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	39%	0.389	C	S	.	.			trans	-86.4	122.8	165.9	-169.5	0	0	0	0	109.3	E91 G93 K94 L102 H105	C89-E91 PolarHBondContact O-N 3.19Å; C89-G93 WeakPolarHBondContact O-CA 3.35Å; C89-G93 PolarHBondContact O-N 3.26Å; C89-K94 HydrophobicContact CB-CB 4.47Å; C89-K94 PolarHBondContact N-O 3.38Å; C89-L102 HydrophobicContact CB-CD1 3.53Å; C89-H105 PolarHBondContact SG-NE2 3.07Å; C89-H105 VanDerWaalsContact SG-NE2 3.43Å
90	D	84.6	Confident	83	Confident	110 Å²	110	75.7 Å²	75.7	59%	0.588	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-24	-177.1	-45.9	-59.6	0	0	0	112.3	K106	D90-K106 IonicContact OD2-NZ 2.76Å; D90-K106 PolarHBondContact OD2-NZ 3.48Å
91	E	80.2	Confident	83.3	Confident	118 Å²	118	75.9 Å²	75.9	55%	0.551	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-27.3	-176.3	-67.1	179.7	-126.3	0	0	114.3	C89 H110	C89-E91 PolarHBondContact O-N 3.19Å; E91-H110 WeakPolarHBondContact CB-CE1 3.49Å; E91-H110 WeakPolarHBondContact CB-ND1 3.4Å; E91-H110 IonicContact OE1-CG 2.73Å; E91-H110 WeakPolarHBondContact OE2-CB 3.48Å; E91-H110 IonicContact OE2-CE1 2.92Å; E91-H110 IonicContact OE2-CG 2.82Å; E91-H110 IonicContact OE2-ND1 3.54Å; E91-H110 PolarHBondContact OE2-ND1 3.01Å
92	C	79.7	Confident	83.6	Confident	63 Å²	63	76.3 Å²	76.3	43%	0.426	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	4.9	179.6	68.8	0	0	0	0	114.7	K94 H105 H110	C92-K94 PolarHBondContact O-N 3.27Å; C92-K94 WeakPolarHBondContact SG-CB 3.42Å; C92-H105 VanDerWaalsContact SG-CE1 3.53Å; C92-H105 PolarHBondContact SG-NE2 3.06Å; C92-H110 PolarHBondContact SG-NE2 3.34Å
93	G	81.7	Confident	83.7	Confident	54 Å²	54	81.8 Å²	81.8	56%	0.557	41%	0.413	S	S	*	.			trans	68.8	-1.3	-178.3	0	0	0	0	0	115.1	C89 R95	C89-G93 WeakPolarHBondContact O-CA 3.35Å; C89-G93 PolarHBondContact O-N 3.26Å; G93-R95 PolarHBondContact O-N 3.32Å
94	K	79	Confident	83.9	Confident	110 Å²	110	80 Å²	80	48%	0.478	39%	0.393	S	S	.	.			trans	-69.2	120.6	-173.9	-170.5	174.6	-173.8	172.6	0	111.7	C89 C92 L96	C89-K94 HydrophobicContact CB-CB 4.47Å; C89-K94 PolarHBondContact N-O 3.38Å; C92-K94 PolarHBondContact O-N 3.27Å; C92-K94 WeakPolarHBondContact SG-CB 3.42Å; K94-L96 HydrophobicContact CG-CD2 4.48Å
95	R	85.6	Confident	83.8	Confident	38 Å²	38	76.2 Å²	76.2	14%	0.143	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	135.9	175	-56.5	-171.4	78.1	120.3	13	112	E78 L81 I82 R85 F87 K88 G93	E78-R95 IonicContact OE1-CZ 3.74Å; E78-R95 IonicContact OE1-NH1 2.69Å; E78-R95 PolarHBondContact OE1-NH1 2.88Å; L81-R95 HydrophobicContact CD2-CG 4.44Å; I82-R95 VanDerWaalsContact CG1-NH2 3.33Å; R85-R95 HydrophobicContact CB-CB 3.75Å; R85-R95 PolarHBondContact O-NE 2.8Å; F87-R95 CarbonylContact O-C 3.59Å; F87-R95 WeakPolarHBondContact O-CA 3.37Å; K88-R95 HydrophobicContact CB-CG 4.17Å; G93-R95 PolarHBondContact O-N 3.32Å
96	L	84.5	Confident	83.8	Confident	28 Å²	28	77.1 Å²	77.1	15%	0.147	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	150.4	-174.7	-66.4	167.4	0	0	0	111	R85 F87 K94 K98 L102 H105	R85-L96 CarbonylContact C-O 3.41Å; R85-L96 WeakPolarHBondContact CA-O 3.42Å; F87-L96 PolarHBondContact N-O 3.42Å; F87-L96 PolarHBondContact O-N 3.14Å; K94-L96 HydrophobicContact CG-CD2 4.48Å; L96-K98 VanDerWaalsContact C-N 3.33Å; L96-K98 PolarHBondContact O-N 3.49Å; L96-L102 VanDerWaalsContact CD1-CA 3.4Å; L96-L102 HydrophobicContact CD1-CB 3.93Å; L96-L102 HydrophobicContact CD1-CD1 3.94Å; L96-H105 HydrophobicContact CD1-CB 3.78Å
97	E	83.2	Confident	83.7	Confident	90 Å²	90	75.7 Å²	75.7	42%	0.421	37%	0.367	S	S	.	.	S	Bend	trans	-71.1	-25.5	-174.6	-63.9	167.1	-165.6	0	0	113	R85	R85-E97 HydrophobicContact CG-CG 3.76Å; R85-E97 IonicContact CZ-OE1 3.63Å; R85-E97 IonicContact NE-OE1 3.4Å; R85-E97 PolarHBondContact NE-OE1 3.43Å; R85-E97 IonicContact NH2-OE1 2.96Å; R85-E97 PolarHBondContact NH2-OE1 2.82Å
98	K	85.5	Confident	83.2	Confident	138 Å²	138	73.9 Å²	73.9	60%	0.6	36%	0.364	S	S	*	.	S	Bend	trans	-138.9	143.8	-172.6	-59.7	-174.1	-179.3	-172.1	0	111.8	L96 R100 T101 L102	L96-K98 VanDerWaalsContact C-N 3.33Å; L96-K98 PolarHBondContact O-N 3.49Å; K98-R100 VanDerWaalsContact C-N 3.26Å; K98-R100 PolarHBondContact O-N 2.9Å; K98-T101 PolarHBondContact O-N 3.28Å; K98-T101 VanDerWaalsContact O-N 3.1Å; K98-T101 PolarHBondContact O-OG1 3.27Å; K98-L102 PolarHBondContact O-N 2.99Å; K98-L102 VanDerWaalsContact O-N 3.17Å
99	A	85.4	Confident	82.8	Confident	37 Å²	37	72.4 Å²	72.4	31%	0.306	37%	0.365	S	S	.	.	H	α-helix	trans	-56.3	-39.8	175.6	0	0	0	0	0	112.7	F87 T101 L102 R103	F87-A99 HydrophobicContact CD1-CB 3.93Å; F87-A99 VanDerWaalsContact CD2-N 3.32Å; F87-A99 HydrophobicContact CE1-CB 3.6Å; F87-A99 HydrophobicContact CE2-CB 4.35Å; F87-A99 VanDerWaalsContact CE2-N 3.33Å; F87-A99 HydrophobicContact CG-CB 4.43Å; F87-A99 HydrophobicContact CZ-CB 3.83Å; A99-T101 VanDerWaalsContact C-N 3.34Å; A99-T101 PolarHBondContact O-N 2.76Å; A99-L102 WeakPolarHBondContact O-CB 3.44Å; A99-L102 PolarHBondContact O-N 3.25Å; A99-R103 WeakPolarHBondContact O-CG 3.34Å; A99-R103 PolarHBondContact O-N 3.5Å
100	R	86.3	Confident	82.6	Confident	181 Å²	181	75 Å²	75	68%	0.683	38%	0.377	S	S	*	.	H	α-helix	trans	-61	-40.2	177.6	-178.4	-179.7	175.8	-143	-1.2	112.5	K98 L102 R103 L104	K98-R100 VanDerWaalsContact C-N 3.26Å; K98-R100 PolarHBondContact O-N 2.9Å; R100-L102 VanDerWaalsContact C-N 3.34Å; R100-R103 PolarHBondContact O-N 3.07Å; R100-L104 HydrophobicContact CG-CD1 4.19Å; R100-L104 WeakPolarHBondContact O-CG 3.46Å; R100-L104 PolarHBondContact O-N 3.01Å
101	T	84.9	Confident	82.4	Confident	60 Å²	60	74.8 Å²	74.8	37%	0.368	37%	0.373	S	S	.	.	H	α-helix	trans	-72.2	-32	178.6	50.7	0	0	0	0	111.2	K98 A99 H105	K98-T101 PolarHBondContact O-N 3.28Å; K98-T101 VanDerWaalsContact O-N 3.1Å; K98-T101 PolarHBondContact O-OG1 3.27Å; A99-T101 VanDerWaalsContact C-N 3.34Å; A99-T101 PolarHBondContact O-N 2.76Å; T101-H105 WeakPolarHBondContact O-CB 3.46Å; T101-H105 PolarHBondContact O-N 3.4Å
102	L	85.6	Confident	82.1	Confident	22 Å²	22	71.7 Å²	71.7	12%	0.115	37%	0.372	C	S	.	.	H	α-helix	trans	-63.7	-47.4	170.5	178.6	63.9	0	0	0	112.2	F87 K88 C89 L96 K98 A99 R100 L104 H105 K106	F87-L102 HydrophobicContact CB-CB 4.14Å; F87-L102 HydrophobicContact CB-CD2 3.83Å; K88-L102 VanDerWaalsContact O-CD2 3.28Å; K88-L102 WeakPolarHBondContact O-CD2 3.28Å; C89-L102 HydrophobicContact CB-CD1 3.53Å; L96-L102 VanDerWaalsContact CD1-CA 3.4Å; L96-L102 HydrophobicContact CD1-CB 3.93Å; L96-L102 HydrophobicContact CD1-CD1 3.94Å; K98-L102 PolarHBondContact O-N 2.99Å; K98-L102 VanDerWaalsContact O-N 3.17Å; A99-L102 WeakPolarHBondContact O-CB 3.44Å; A99-L102 PolarHBondContact O-N 3.25Å; R100-L102 VanDerWaalsContact C-N 3.34Å; L102-L104 PolarHBondContact O-N 3.27Å; L102-H105 WeakPolarHBondContact O-CB 3.45Å; L102-H105 PolarHBondContact O-N 3.35Å; L102-H105 VanDerWaalsContact O-N 3.13Å; L102-K106 HydrophobicContact CD1-CG 4.41Å; L102-K106 PolarHBondContact O-N 3.48Å
103	R	84.5	Confident	81.8	Confident	193 Å²	193	76.6 Å²	76.6	73%	0.728	38%	0.382	S	S	*	.	H	α-helix	trans	-58.1	-47.2	175.4	-70.5	-178.8	-175.4	172.7	1.4	112	A99 R100 H105 K106 L107	A99-R103 WeakPolarHBondContact O-CG 3.34Å; A99-R103 PolarHBondContact O-N 3.5Å; R100-R103 PolarHBondContact O-N 3.07Å; R103-H105 VanDerWaalsContact C-N 3.28Å; R103-H105 PolarHBondContact O-N 3.43Å; R103-K106 PolarHBondContact O-N 3.15Å; R103-L107 WeakPolarHBondContact O-CB 3.47Å; R103-L107 PolarHBondContact O-N 3.17Å
104	L	83.5	Confident	81.6	Confident	36 Å²	36	81.1 Å²	81.1	19%	0.188	38%	0.382	C	S	.	.	H	α-helix	trans	-65.1	-32	176.8	-71.7	169.6	0	0	0	112.6	R100 L102 S108 Q127	R100-L104 HydrophobicContact CG-CD1 4.19Å; R100-L104 WeakPolarHBondContact O-CG 3.46Å; R100-L104 PolarHBondContact O-N 3.01Å; L102-L104 PolarHBondContact O-N 3.27Å; L104-S108 WeakPolarHBondContact O-CB 3.31Å; L104-S108 PolarHBondContact O-N 2.59Å; L104-S108 PolarHBondContact O-OG 3.5Å; L104-Q127 HydrophobicContact CD1-CG 4.16Å; L104-Q127 HydrophobicContact CD2-CG 3.99Å
105	H	80.1	Confident	81.5	Confident	17 Å²	17	79.8 Å²	79.8	8%	0.079	39%	0.385	C	S	.	.	H	α-helix	trans	-69.1	-47.4	174.5	163.8	59.6	0	0	0	111.8	C89 C92 L96 T101 L102 R103 L107 S108 V109 H110	C89-H105 PolarHBondContact SG-NE2 3.07Å; C89-H105 VanDerWaalsContact SG-NE2 3.43Å; C92-H105 VanDerWaalsContact SG-CE1 3.53Å; C92-H105 PolarHBondContact SG-NE2 3.06Å; L96-H105 HydrophobicContact CD1-CB 3.78Å; T101-H105 WeakPolarHBondContact O-CB 3.46Å; T101-H105 PolarHBondContact O-N 3.4Å; L102-H105 WeakPolarHBondContact O-CB 3.45Å; L102-H105 PolarHBondContact O-N 3.35Å; L102-H105 VanDerWaalsContact O-N 3.13Å; R103-H105 VanDerWaalsContact C-N 3.28Å; R103-H105 PolarHBondContact O-N 3.43Å; H105-L107 PolarHBondContact O-N 3.23Å; H105-S108 PolarHBondContact O-N 2.92Å; H105-S108 PolarHBondContact O-OG 3.29Å; H105-V109 VanDerWaalsContact ND1-CG2 3.34Å; H105-V109 WeakPolarHBondContact ND1-CG2 3.46Å; H105-V109 WeakPolarHBondContact O-CB 3.46Å; H105-V109 PolarHBondContact O-N 3.09Å; H105-H110 AromaticContact CE1-NE2 3.7Å; H105-H110 AromaticContact NE2-CD2 3.88Å; H105-H110 AromaticContact NE2-NE2 3.49Å; H105-H110 PolarHBondContact NE2-NE2 3.3Å
106	K	83.4	Confident	81.4	Confident	52 Å²	52	81.4 Å²	81.4	23%	0.226	39%	0.393	C	S	.	.	I	π-helix	trans	-56.5	-50.5	173	-70.5	-166.9	176.7	-167	0	110.9	D90 L102 R103 S108 H110 E111	D90-K106 IonicContact OD2-NZ 2.76Å; D90-K106 PolarHBondContact OD2-NZ 3.48Å; L102-K106 HydrophobicContact CD1-CG 4.41Å; L102-K106 PolarHBondContact O-N 3.48Å; R103-K106 PolarHBondContact O-N 3.15Å; K106-S108 VanDerWaalsContact C-N 3.32Å; K106-S108 PolarHBondContact O-N 3.48Å; K106-H110 WeakPolarHBondContact O-CB 3.46Å; K106-H110 PolarHBondContact O-N 3.29Å; K106-E111 PolarHBondContact O-N 3.4Å
107	L	82.3	Confident	81	Confident	37 Å²	37	82.6 Å²	82.6	19%	0.194	41%	0.406	C	S	.	.	I	π-helix	trans	-58	-41.1	178.7	-167.4	72.7	0	0	0	113.3	R103 H105 E111 G112 R113 P115	R103-L107 WeakPolarHBondContact O-CB 3.47Å; R103-L107 PolarHBondContact O-N 3.17Å; H105-L107 PolarHBondContact O-N 3.23Å; L107-E111 WeakPolarHBondContact CD1-OE2 3.48Å; L107-G112 PolarHBondContact O-N 3.33Å; L107-R113 HydrophobicContact CD1-CB 3.48Å; L107-R113 VanDerWaalsContact CD1-CB 3.48Å; L107-R113 HydrophobicContact CD1-CG 4.27Å; L107-R113 HydrophobicContact CG-CB 3.87Å; L107-R113 PolarHBondContact O-N 3.42Å; L107-P115 HydrophobicContact CD2-CG 3.86Å
108	S	77.5	Confident	80.7	Confident	43 Å²	43	78.4 Å²	78.4	30%	0.301	39%	0.387	S	S	.	.	I	π-helix	trans	-90.1	-32.9	-172.7	61.1	0	0	0	0	115.4	L104 H105 K106 T126	L104-S108 WeakPolarHBondContact O-CB 3.31Å; L104-S108 PolarHBondContact O-N 2.59Å; L104-S108 PolarHBondContact O-OG 3.5Å; H105-S108 PolarHBondContact O-N 2.92Å; H105-S108 PolarHBondContact O-OG 3.29Å; K106-S108 VanDerWaalsContact C-N 3.32Å; K106-S108 PolarHBondContact O-N 3.48Å; S108-T126 VanDerWaalsContact CB-CG2 3.45Å
109	V	76.4	Confident	80.5	Confident	94 Å²	94	80.8 Å²	80.8	57%	0.57	40%	0.401	S	S	*	.	I	π-helix	trans	-98.6	-39.3	-174.4	178.5	0	0	0	0	111.5	H105	H105-V109 VanDerWaalsContact ND1-CG2 3.34Å; H105-V109 WeakPolarHBondContact ND1-CG2 3.46Å; H105-V109 WeakPolarHBondContact O-CB 3.46Å; H105-V109 PolarHBondContact O-N 3.09Å
110	H	81	Confident	80.2	Confident	54 Å²	54	84.5 Å²	84.5	25%	0.25	41%	0.414	C	S	.	.	I	π-helix	trans	-98.9	-49.6	-172.3	-66.5	-79.8	0	0	0	111.5	E91 C92 H105 K106	E91-H110 WeakPolarHBondContact CB-CE1 3.49Å; E91-H110 WeakPolarHBondContact CB-ND1 3.4Å; E91-H110 IonicContact OE1-CG 2.73Å; E91-H110 WeakPolarHBondContact OE2-CB 3.48Å; E91-H110 IonicContact OE2-CE1 2.92Å; E91-H110 IonicContact OE2-CG 2.82Å; E91-H110 IonicContact OE2-ND1 3.54Å; E91-H110 PolarHBondContact OE2-ND1 3.01Å; C92-H110 PolarHBondContact SG-NE2 3.34Å; H105-H110 AromaticContact CE1-NE2 3.7Å; H105-H110 AromaticContact NE2-CD2 3.88Å; H105-H110 AromaticContact NE2-NE2 3.49Å; H105-H110 PolarHBondContact NE2-NE2 3.3Å; K106-H110 WeakPolarHBondContact O-CB 3.46Å; K106-H110 PolarHBondContact O-N 3.29Å
111	E	80.7	Confident	79.6	Confident	106 Å²	106	78.9 Å²	78.9	50%	0.495	40%	0.402	S	S	.	.	S	Bend	trans	-84.6	-13.6	-179.1	-60.5	174.8	-150.7	0	0	113.4	K106 L107 R113	K106-E111 PolarHBondContact O-N 3.4Å; L107-E111 WeakPolarHBondContact CD1-OE2 3.48Å; E111-R113 HydrophobicContact CB-CB 4.39Å; E111-R113 HydrophobicContact CB-CG 4.08Å; E111-R113 PolarHBondContact O-N 2.84Å; E111-R113 WeakPolarHBondContact OE2-CD 3.42Å; E111-R113 IonicContact OE2-NE 3.29Å
112	G	72.6	Confident	79.2	Confident	53 Å²	53	84.3 Å²	84.3	55%	0.546	42%	0.42	S	S	.	.			trans	61.5	7.8	-176	0	0	0	0	0	114.8	L107	L107-G112 PolarHBondContact O-N 3.33Å
113	R	75.3	Confident	78.5	Confident	166 Å²	166	84.9 Å²	84.9	63%	0.626	43%	0.428	S	S	*	.			trans	-74.9	131.4	-175.2	-73.8	-175.8	-176.9	-109.6	0.3	110.9	L107 E111	L107-R113 HydrophobicContact CD1-CB 3.48Å; L107-R113 VanDerWaalsContact CD1-CB 3.48Å; L107-R113 HydrophobicContact CD1-CG 4.27Å; L107-R113 HydrophobicContact CG-CB 3.87Å; L107-R113 PolarHBondContact O-N 3.42Å; E111-R113 HydrophobicContact CB-CB 4.39Å; E111-R113 HydrophobicContact CB-CG 4.08Å; E111-R113 PolarHBondContact O-N 2.84Å; E111-R113 WeakPolarHBondContact OE2-CD 3.42Å; E111-R113 IonicContact OE2-NE 3.29Å
114	R	76.3	Confident	78.3	Confident	149 Å²	149	78.4 Å²	78.4	56%	0.562	41%	0.412	S	S	*	.			trans	-129.5	79.2	176.9	-63.7	-164.3	176.5	171.1	2.1	109.4	F116 C124 F125 T126	R114-F116 PolarHBondContact O-N 3.38Å; R114-C124 HydrophobicContact CB-CB 3.68Å; R114-C124 VanDerWaalsContact CD-O 3.23Å; R114-C124 WeakPolarHBondContact CD-O 3.41Å; R114-F125 CarbonylContact C-O 3.24Å; R114-F125 WeakPolarHBondContact CA-O 3.48Å; R114-T126 HydrophobicContact CG-CG2 3.81Å
115	P	77.5	Confident	78.1	Confident	81 Å²	81	78.8 Å²	78.8	53%	0.526	41%	0.412	S	S	.	.			trans	-62.6	-20.2	-165.3	-22.3	32.2	0	0	0	115.1	L107	L107-P115 HydrophobicContact CD2-CG 3.86Å
116	F	82.1	Confident	77.9	Confident	73 Å²	73	79.2 Å²	79.2	32%	0.32	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	96	-172.2	-57	-77.5	0	0	0	109.8	R114 C124 F125 Q127 N128 L131	R114-F116 PolarHBondContact O-N 3.38Å; F116-C124 CarbonylContact O-C 3.52Å; F116-F125 HydrophobicContact CB-CB 4.36Å; F116-F125 PolarHBondContact N-O 3.32Å; F116-F125 VanDerWaalsContact N-O 3.1Å; F116-F125 WeakPolarHBondContact O-CD2 3.26Å; F116-F125 PolarHBondContact O-N 3.41Å; F116-Q127 VanDerWaalsContact CD2-C 3.43Å; F116-N128 HydrophobicContact CD1-CB 3.73Å; F116-N128 HydrophobicContact CD2-CB 4.49Å; F116-N128 VanDerWaalsContact CD2-N 3.3Å; F116-N128 HydrophobicContact CE1-CB 3.62Å; F116-N128 HydrophobicContact CE2-CB 4.38Å; F116-N128 HydrophobicContact CG-CB 4.18Å; F116-N128 HydrophobicContact CZ-CB 3.96Å; F116-L131 HydrophobicContact CB-CB 4.04Å; F116-L131 HydrophobicContact CB-CD2 3.84Å
117	A	76.1	Confident	77.8	Confident	52 Å²	52	79.6 Å²	79.6	43%	0.43	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	143.1	176.7	0	0	0	0	0	111.6	A123 L131	A117-A123 CarbonylContact C-O 3.6Å; A117-A123 WeakPolarHBondContact CA-O 3.19Å; A117-L131 WeakPolarHBondContact O-CD2 3.33Å
118	C	77.3	Confident	77.9	Confident	2 Å²	2	81.2 Å²	81.2	1%	0.014	43%	0.427	C	S	.	.			trans	-80	124.5	168.5	-179.2	0	0	0	0	109.9	I120 K122 A123 L131 H134 H139	C118-I120 PolarHBondContact O-N 3.2Å; C118-I120 PolarHBondContact SG-N 2.86Å; C118-K122 WeakPolarHBondContact O-CA 3.45Å; C118-K122 PolarHBondContact O-N 3.31Å; C118-A123 HydrophobicContact CB-CB 4.43Å; C118-A123 PolarHBondContact N-O 2.85Å; C118-L131 HydrophobicContact CB-CD1 3.67Å; C118-H134 PolarHBondContact SG-NE2 2.94Å; C118-H139 PolarHBondContact SG-NE2 3.28Å
119	E	82.1	Confident	78.2	Confident	189 Å²	189	81.5 Å²	81.5	88%	0.883	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-26.5	179.1	-67	169.1	-170.4	0	0	112.9
120	I	78.9	Confident	78.5	Confident	115 Å²	115	81 Å²	81	59%	0.59	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-46.2	-174.8	-55.4	167.6	0	0	0	111.8	C118 H139	C118-I120 PolarHBondContact O-N 3.2Å; C118-I120 PolarHBondContact SG-N 2.86Å; I120-H139 HydrophobicContact CD1-CB 3.74Å; I120-H139 WeakPolarHBondContact CG2-CE1 3.15Å; I120-H139 WeakPolarHBondContact CG2-ND1 3.5Å
121	C	72.6	Confident	78.7	Confident	63 Å²	63	79.2 Å²	79.2	43%	0.426	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	3.6	-176.9	71.9	0	0	0	0	114.8	A123 H134	C121-A123 PolarHBondContact O-N 2.82Å; C121-A123 VanDerWaalsContact O-N 3.09Å; C121-A123 VanDerWaalsContact SG-CB 3.5Å; C121-H134 PolarHBondContact SG-CE1 3.34Å; C121-H134 PolarHBondContact SG-NE2 3.4Å
122	K	78.1	Confident	78.9	Confident	174 Å²	174	80 Å²	80	76%	0.757	42%	0.422	S	S	*	.			trans	60.5	14.2	-178.5	-56	-174.7	179	-177.9	0	115	C118 C124	C118-K122 WeakPolarHBondContact O-CA 3.45Å; C118-K122 PolarHBondContact O-N 3.31Å; K122-C124 PolarHBondContact O-N 3.46Å; K122-C124 PolarHBondContact O-SG 3.39Å
123	A	70.2	Confident	79.4	Confident	33 Å²	33	80.5 Å²	80.5	27%	0.273	41%	0.41	S	S	.	.			trans	-66	126.5	173.9	0	0	0	0	0	111	A117 C118 C121 F125	A117-A123 CarbonylContact C-O 3.6Å; A117-A123 WeakPolarHBondContact CA-O 3.19Å; C118-A123 HydrophobicContact CB-CB 4.43Å; C118-A123 PolarHBondContact N-O 2.85Å; C121-A123 PolarHBondContact O-N 2.82Å; C121-A123 VanDerWaalsContact O-N 3.09Å; C121-A123 VanDerWaalsContact SG-CB 3.5Å; A123-F125 HydrophobicContact CB-CE2 3.78Å; A123-F125 HydrophobicContact CB-CZ 3.89Å; A123-F125 WeakPolarHBondContact O-CD2 3.38Å; A123-F125 VanDerWaalsContact O-CE2 3.25Å; A123-F125 WeakPolarHBondContact O-CE2 3.12Å
124	C	80.3	Confident	79.5	Confident	58 Å²	58	73.8 Å²	73.8	39%	0.392	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	136.5	-176.3	-61	0	0	0	0	112.4	R114 F116 K122	R114-C124 HydrophobicContact CB-CB 3.68Å; R114-C124 VanDerWaalsContact CD-O 3.23Å; R114-C124 WeakPolarHBondContact CD-O 3.41Å; F116-C124 CarbonylContact O-C 3.52Å; K122-C124 PolarHBondContact O-N 3.46Å; K122-C124 PolarHBondContact O-SG 3.39Å
125	F	78.4	Confident	79.8	Confident	44 Å²	44	69.1 Å²	69.1	19%	0.193	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	150.6	-176.1	-57.1	-87	0	0	0	111.9	R114 F116 A123 H130 L131 H134	R114-F125 CarbonylContact C-O 3.24Å; R114-F125 WeakPolarHBondContact CA-O 3.48Å; F116-F125 HydrophobicContact CB-CB 4.36Å; F116-F125 PolarHBondContact N-O 3.32Å; F116-F125 VanDerWaalsContact N-O 3.1Å; F116-F125 WeakPolarHBondContact O-CD2 3.26Å; F116-F125 PolarHBondContact O-N 3.41Å; A123-F125 HydrophobicContact CB-CE2 3.78Å; A123-F125 HydrophobicContact CB-CZ 3.89Å; A123-F125 WeakPolarHBondContact O-CD2 3.38Å; A123-F125 VanDerWaalsContact O-CE2 3.25Å; A123-F125 WeakPolarHBondContact O-CE2 3.12Å; F125-H130 HydrophobicContact CB-CB 4.17Å; F125-H130 HydrophobicContact CD1-CB 3.87Å; F125-H130 HydrophobicContact CG-CB 4.26Å; F125-L131 HydrophobicContact CB-CB 4.38Å; F125-L131 HydrophobicContact CD2-CB 3.88Å; F125-L131 HydrophobicContact CD2-CD1 3.75Å; F125-L131 HydrophobicContact CD2-CG 4.43Å; F125-L131 HydrophobicContact CE2-CD1 3.88Å; F125-L131 HydrophobicContact CG-CB 4.32Å; F125-H134 HydrophobicContact CE1-CB 3.98Å; F125-H134 HydrophobicContact CE2-CB 3.79Å; F125-H134 AromaticContact CE2-CD2 3.66Å; F125-H134 AromaticContact CE2-CG 3.63Å; F125-H134 HydrophobicContact CZ-CB 3.37Å; F125-H134 AromaticContact CZ-CD2 3.79Å; F125-H134 AromaticContact CZ-CG 3.28Å; F125-H134 AromaticContact CZ-ND1 3.61Å
126	T	76.7	Confident	80.2	Confident	25 Å²	25	69.2 Å²	69.2	15%	0.153	37%	0.365	C	S	.	.	S	Bend	trans	-81.4	-16.2	179.1	54.5	0	0	0	0	113.2	S108 R114	S108-T126 VanDerWaalsContact CB-CG2 3.45Å; R114-T126 HydrophobicContact CG-CG2 3.81Å
127	Q	81.2	Confident	80.2	Confident	61 Å²	61	67 Å²	67	29%	0.285	36%	0.358	S	S	.	.	S	Bend	trans	-139.8	136.6	-177.1	-61.3	-178.8	34.4	0	0	110.1	L104 F116 G129 H130 L131	L104-Q127 HydrophobicContact CD1-CG 4.16Å; L104-Q127 HydrophobicContact CD2-CG 3.99Å; F116-Q127 VanDerWaalsContact CD2-C 3.43Å; Q127-G129 PolarHBondContact O-N 3.43Å; Q127-H130 WeakPolarHBondContact O-CB 3.47Å; Q127-H130 PolarHBondContact O-N 3.13Å; Q127-L131 PolarHBondContact O-N 3.35Å
128	N	85.3	Confident	80.2	Confident	71 Å²	71	68.8 Å²	68.8	38%	0.38	36%	0.363	S	S	.	.	H	α-helix	trans	-56.7	-36.2	177.9	-166.8	19.1	0	0	0	112.7	F116 H130 L131 K132	F116-N128 HydrophobicContact CD1-CB 3.73Å; F116-N128 HydrophobicContact CD2-CB 4.49Å; F116-N128 VanDerWaalsContact CD2-N 3.3Å; F116-N128 HydrophobicContact CE1-CB 3.62Å; F116-N128 HydrophobicContact CE2-CB 4.38Å; F116-N128 HydrophobicContact CG-CB 4.18Å; F116-N128 HydrophobicContact CZ-CB 3.96Å; N128-H130 VanDerWaalsContact C-N 3.26Å; N128-H130 PolarHBondContact O-N 3.48Å; N128-L131 WeakPolarHBondContact O-CB 3.33Å; N128-L131 PolarHBondContact O-N 3.33Å; N128-L131 VanDerWaalsContact O-N 3.1Å; N128-K132 PolarHBondContact O-N 2.8Å
129	G	83.6	Confident	80.4	Confident	49 Å²	49	71.7 Å²	71.7	51%	0.505	38%	0.376	S	S	.	.	H	α-helix	trans	-60.2	-34.1	176.6	0	0	0	0	0	113.4	Q127 Q133	Q127-G129 PolarHBondContact O-N 3.43Å; G129-Q133 WeakPolarHBondContact O-CB 3.07Å; G129-Q133 PolarHBondContact O-N 3.1Å
130	H	82.5	Confident	80.4	Confident	82 Å²	82	69.5 Å²	69.5	38%	0.38	36%	0.364	S	S	.	.	H	α-helix	trans	-73.7	-35.4	175	-62.2	158.9	0	0	0	112	F125 Q127 N128 H134	F125-H130 HydrophobicContact CB-CB 4.17Å; F125-H130 HydrophobicContact CD1-CB 3.87Å; F125-H130 HydrophobicContact CG-CB 4.26Å; Q127-H130 WeakPolarHBondContact O-CB 3.47Å; Q127-H130 PolarHBondContact O-N 3.13Å; N128-H130 VanDerWaalsContact C-N 3.26Å; N128-H130 PolarHBondContact O-N 3.48Å; H130-H134 VanDerWaalsContact O-CB 3.3Å; H130-H134 WeakPolarHBondContact O-CB 3.34Å; H130-H134 PolarHBondContact O-N 3.35Å
131	L	84.3	Confident	80.2	Confident	18 Å²	18	66.3 Å²	66.3	9%	0.094	36%	0.359	C	S	.	.	H	α-helix	trans	-64.1	-48.6	172.9	173.5	62.4	0	0	0	111.1	F116 A117 C118 F125 Q127 N128 Q133 H134 I135	F116-L131 HydrophobicContact CB-CB 4.04Å; F116-L131 HydrophobicContact CB-CD2 3.84Å; A117-L131 WeakPolarHBondContact O-CD2 3.33Å; C118-L131 HydrophobicContact CB-CD1 3.67Å; F125-L131 HydrophobicContact CB-CB 4.38Å; F125-L131 HydrophobicContact CD2-CB 3.88Å; F125-L131 HydrophobicContact CD2-CD1 3.75Å; F125-L131 HydrophobicContact CD2-CG 4.43Å; F125-L131 HydrophobicContact CE2-CD1 3.88Å; F125-L131 HydrophobicContact CG-CB 4.32Å; Q127-L131 PolarHBondContact O-N 3.35Å; N128-L131 WeakPolarHBondContact O-CB 3.33Å; N128-L131 PolarHBondContact O-N 3.33Å; N128-L131 VanDerWaalsContact O-N 3.1Å; L131-Q133 PolarHBondContact O-N 2.85Å; L131-H134 WeakPolarHBondContact O-CB 3.19Å; L131-H134 PolarHBondContact O-N 2.89Å; L131-H134 VanDerWaalsContact O-N 3.09Å; L131-I135 HydrophobicContact CD1-CD1 3.87Å; L131-I135 HydrophobicContact CD1-CG1 4.09Å; L131-I135 HydrophobicContact CG-CD1 3.92Å; L131-I135 WeakPolarHBondContact O-CG1 3.39Å; L131-I135 PolarHBondContact O-N 2.87Å
132	K	85.1	Confident	80.5	Confident	123 Å²	123	67.4 Å²	67.4	54%	0.535	36%	0.36	S	S	.	.	H	α-helix	trans	-56.5	-48.5	175.4	-72.8	-170.6	178.6	-171.8	0	111.5	N128 H134 I135 E136	N128-K132 PolarHBondContact O-N 2.8Å; K132-H134 VanDerWaalsContact C-N 3.29Å; K132-H134 PolarHBondContact O-N 3.44Å; K132-I135 PolarHBondContact O-N 3.36Å; K132-E136 WeakPolarHBondContact O-CB 3.49Å; K132-E136 WeakPolarHBondContact O-CG 3.37Å; K132-E136 PolarHBondContact O-N 2.91Å
133	Q	82.6	Confident	80.5	Confident	62 Å²	62	65.3 Å²	65.3	29%	0.29	35%	0.348	S	S	.	.	H	α-helix	trans	-59.6	-40.1	175.7	-179.8	172.2	47.2	0	0	112	G129 L131 T137	G129-Q133 WeakPolarHBondContact O-CB 3.07Å; G129-Q133 PolarHBondContact O-N 3.1Å; L131-Q133 PolarHBondContact O-N 2.85Å; Q133-T137 HydrophobicContact CG-CG2 4.15Å; Q133-T137 VanDerWaalsContact O-CB 3.3Å; Q133-T137 WeakPolarHBondContact O-CB 3.38Å; Q133-T137 WeakPolarHBondContact O-CG2 3.34Å; Q133-T137 PolarHBondContact O-N 2.81Å; Q133-T137 PolarHBondContact O-OG1 2.88Å
134	H	78.3	Confident	81	Confident	26 Å²	26	67.3 Å²	67.3	12%	0.12	36%	0.358	C	S	.	.	H	α-helix	trans	-62.5	-48.3	175.9	163.8	80.2	0	0	0	111.6	C118 C121 F125 H130 L131 K132 E136 T137 V138 H139	C118-H134 PolarHBondContact SG-NE2 2.94Å; C121-H134 PolarHBondContact SG-CE1 3.34Å; C121-H134 PolarHBondContact SG-NE2 3.4Å; F125-H134 HydrophobicContact CE1-CB 3.98Å; F125-H134 HydrophobicContact CE2-CB 3.79Å; F125-H134 AromaticContact CE2-CD2 3.66Å; F125-H134 AromaticContact CE2-CG 3.63Å; F125-H134 HydrophobicContact CZ-CB 3.37Å; F125-H134 AromaticContact CZ-CD2 3.79Å; F125-H134 AromaticContact CZ-CG 3.28Å; F125-H134 AromaticContact CZ-ND1 3.61Å; H130-H134 VanDerWaalsContact O-CB 3.3Å; H130-H134 WeakPolarHBondContact O-CB 3.34Å; H130-H134 PolarHBondContact O-N 3.35Å; L131-H134 WeakPolarHBondContact O-CB 3.19Å; L131-H134 PolarHBondContact O-N 2.89Å; L131-H134 VanDerWaalsContact O-N 3.09Å; K132-H134 VanDerWaalsContact C-N 3.29Å; K132-H134 PolarHBondContact O-N 3.44Å; H134-E136 PolarHBondContact O-N 2.96Å; H134-T137 PolarHBondContact O-N 2.77Å; H134-V138 VanDerWaalsContact O-CB 3.23Å; H134-V138 WeakPolarHBondContact O-CB 3.11Å; H134-V138 WeakPolarHBondContact O-CG2 3.46Å; H134-V138 PolarHBondContact O-N 3.24Å; H134-H139 AromaticContact CE1-NE2 3.92Å; H134-H139 AromaticContact NE2-CD2 3.72Å; H134-H139 AromaticContact NE2-NE2 3.29Å; H134-H139 PolarHBondContact NE2-NE2 3.33Å
135	I	83.3	Confident	81	Confident	51 Å²	51	69 Å²	69	26%	0.262	36%	0.357	S	S	.	.	I	π-helix	trans	-60.4	-46.8	178.2	-65.6	167.6	0	0	0	110.7	L131 K132 T137 H139 K140	L131-I135 HydrophobicContact CD1-CD1 3.87Å; L131-I135 HydrophobicContact CD1-CG1 4.09Å; L131-I135 HydrophobicContact CG-CD1 3.92Å; L131-I135 WeakPolarHBondContact O-CG1 3.39Å; L131-I135 PolarHBondContact O-N 2.87Å; K132-I135 PolarHBondContact O-N 3.36Å; I135-T137 PolarHBondContact O-N 3.24Å; I135-H139 WeakPolarHBondContact O-CA 3.28Å; I135-H139 WeakPolarHBondContact O-CB 3.32Å; I135-H139 PolarHBondContact O-N 2.86Å; I135-K140 PolarHBondContact O-N 3.41Å
136	E	85.1	Confident	81.1	Confident	82 Å²	82	69.1 Å²	69.1	38%	0.383	36%	0.363	S	S	.	.	I	π-helix	trans	-61.3	-43.9	178.7	-73.4	171.3	-174.9	0	0	112.2	K132 H134 K140 G141 L142	K132-E136 WeakPolarHBondContact O-CB 3.49Å; K132-E136 WeakPolarHBondContact O-CG 3.37Å; K132-E136 PolarHBondContact O-N 2.91Å; H134-E136 PolarHBondContact O-N 2.96Å; E136-K140 CarbonylContact O-C 3.49Å; E136-K140 WeakPolarHBondContact O-CB 3.44Å; E136-G141 PolarHBondContact O-N 2.8Å; E136-L142 HydrophobicContact CB-CB 4.45Å; E136-L142 HydrophobicContact CB-CD1 4.17Å; E136-L142 HydrophobicContact CG-CD1 4.19Å; E136-L142 WeakPolarHBondContact O-CB 3.05Å; E136-L142 PolarHBondContact O-N 3.12Å
137	T	81.6	Confident	81.2	Confident	28 Å²	28	67.9 Å²	67.9	17%	0.172	36%	0.355	C	S	.	.	I	π-helix	trans	-88.1	-31.1	-171.1	59.3	0	0	0	0	114.3	Q133 H134 I135 T155	Q133-T137 HydrophobicContact CG-CG2 4.15Å; Q133-T137 VanDerWaalsContact O-CB 3.3Å; Q133-T137 WeakPolarHBondContact O-CB 3.38Å; Q133-T137 WeakPolarHBondContact O-CG2 3.34Å; Q133-T137 PolarHBondContact O-N 2.81Å; Q133-T137 PolarHBondContact O-OG1 2.88Å; H134-T137 PolarHBondContact O-N 2.77Å; I135-T137 PolarHBondContact O-N 3.24Å; T137-T155 HydrophobicContact CG2-CG2 3.8Å
138	V	76.3	Confident	81	Confident	88 Å²	88	71.4 Å²	71.4	53%	0.533	38%	0.376	S	S	.	.	I	π-helix	trans	-96.9	-44.6	-177	-179.3	0	0	0	0	111.2	H134	H134-V138 VanDerWaalsContact O-CB 3.23Å; H134-V138 WeakPolarHBondContact O-CB 3.11Å; H134-V138 WeakPolarHBondContact O-CG2 3.46Å; H134-V138 PolarHBondContact O-N 3.24Å
139	H	80.9	Confident	80.3	Confident	63 Å²	63	74 Å²	74	29%	0.292	39%	0.389	S	S	.	.	I	π-helix	trans	-96.2	-40	-173.4	-63.3	-58.1	0	0	0	113	C118 I120 H134 I135	C118-H139 PolarHBondContact SG-NE2 3.28Å; I120-H139 HydrophobicContact CD1-CB 3.74Å; I120-H139 WeakPolarHBondContact CG2-CE1 3.15Å; I120-H139 WeakPolarHBondContact CG2-ND1 3.5Å; H134-H139 AromaticContact CE1-NE2 3.92Å; H134-H139 AromaticContact NE2-CD2 3.72Å; H134-H139 AromaticContact NE2-NE2 3.29Å; H134-H139 PolarHBondContact NE2-NE2 3.33Å; I135-H139 WeakPolarHBondContact O-CA 3.28Å; I135-H139 WeakPolarHBondContact O-CB 3.32Å; I135-H139 PolarHBondContact O-N 2.86Å
140	K	82.5	Confident	79.9	Confident	143 Å²	143	73.3 Å²	73.3	62%	0.622	38%	0.375	S	S	*	.	S	Bend	trans	-87.3	-6.7	175.3	-58.4	-174.1	176.2	-174.6	0	113.7	I135 E136 L142	I135-K140 PolarHBondContact O-N 3.41Å; E136-K140 CarbonylContact O-C 3.49Å; E136-K140 WeakPolarHBondContact O-CB 3.44Å; K140-L142 HydrophobicContact CB-CD1 4.19Å; K140-L142 HydrophobicContact CB-CG 3.94Å; K140-L142 HydrophobicContact CD-CD1 4.28Å; K140-L142 PolarHBondContact O-N 3.12Å; K140-L142 VanDerWaalsContact O-N 3.09Å
141	G	74.9	Confident	79.6	Confident	48 Å²	48	75.3 Å²	75.3	50%	0.495	39%	0.389	S	S	.	.			trans	63.1	13.3	-178.1	0	0	0	0	0	114.7	E136 R143	E136-G141 PolarHBondContact O-N 2.8Å; G141-R143 PolarHBondContact O-N 3.43Å
142	L	78.9	Confident	79.1	Confident	86 Å²	86	80 Å²	80	45%	0.45	41%	0.409	S	S	.	.			trans	-66.6	123	-177.4	-65.4	174.7	0	0	0	109.8	E136 K140 P144	E136-L142 HydrophobicContact CB-CB 4.45Å; E136-L142 HydrophobicContact CB-CD1 4.17Å; E136-L142 HydrophobicContact CG-CD1 4.19Å; E136-L142 WeakPolarHBondContact O-CB 3.05Å; E136-L142 PolarHBondContact O-N 3.12Å; K140-L142 HydrophobicContact CB-CD1 4.19Å; K140-L142 HydrophobicContact CB-CG 3.94Å; K140-L142 HydrophobicContact CD-CD1 4.28Å; K140-L142 PolarHBondContact O-N 3.12Å; K140-L142 VanDerWaalsContact O-N 3.09Å; L142-P144 WeakPolarHBondContact O-CD 3.3Å
143	R	78.9	Confident	78.9	Confident	130 Å²	130	80.8 Å²	80.8	49%	0.491	41%	0.408	S	S	.	.			trans	-122.1	84.1	173.9	-68.9	174	170.3	-127.6	7	107.7	G141 Y145 R153 F154 T155	G141-R143 PolarHBondContact O-N 3.43Å; R143-Y145 PolarHBondContact O-N 3.1Å; R143-R153 HydrophobicContact CB-CB 3.49Å; R143-R153 VanDerWaalsContact CB-CB 3.49Å; R143-R153 WeakPolarHBondContact CD-O 3.32Å; R143-R153 HydrophobicContact CG-CB 4.39Å; R143-R153 PolarHBondContact NH1-O 3.15Å; R143-R153 PolarHBondContact O-NE 3.48Å; R143-R153 PolarHBondContact O-NH2 2.84Å; R143-R153 VanDerWaalsContact O-NH2 3.1Å; R143-F154 CarbonylContact C-O 3.16Å; R143-F154 VanDerWaalsContact C-O 3.31Å; R143-F154 WeakPolarHBondContact CA-O 3.39Å; R143-T155 HydrophobicContact CG-CG2 3.94Å
144	P	80.4	Confident	78.7	Confident	75 Å²	75	79.7 Å²	79.7	49%	0.487	40%	0.402	S	S	.	.			trans	-66.4	-21.2	-170.4	-22.5	34.1	0	0	0	113.9	L142	L142-P144 WeakPolarHBondContact O-CD 3.3Å
145	Y	81.1	Confident	78.7	Confident	95 Å²	95	80.4 Å²	80.4	37%	0.373	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	106	-171.5	-56.7	-76.4	0	0	0	110.5	R143 R153 F154 A157	R143-Y145 PolarHBondContact O-N 3.1Å; Y145-R153 CarbonylContact O-C 3.58Å; Y145-R153 WeakPolarHBondContact O-CA 3.24Å; Y145-F154 PolarHBondContact N-O 2.76Å; Y145-F154 WeakPolarHBondContact O-CD2 3.4Å; Y145-F154 PolarHBondContact O-N 3.15Å; Y145-A157 HydrophobicContact CD1-CB 3.87Å; Y145-A157 VanDerWaalsContact CD2-N 3.28Å; Y145-A157 HydrophobicContact CE1-CB 3.57Å; Y145-A157 HydrophobicContact CE2-CB 4.27Å; Y145-A157 HydrophobicContact CG-CB 4.35Å
146	S	80.7	Confident	78.5	Confident	45 Å²	45	83 Å²	83	32%	0.315	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	150.5	174.6	44.6	0	0	0	0	111.9	K152 L160	S146-K152 CarbonylContact C-O 3.59Å; S146-K152 WeakPolarHBondContact CA-O 3.37Å; S146-L160 WeakPolarHBondContact O-CD1 3.38Å; S146-L160 WeakPolarHBondContact O-CD2 3.49Å
147	C	77.4	Confident	78.3	Confident	0 Å²	0	80.5 Å²	80.5	0%	0	41%	0.411	C	S	.	.			trans	-90.2	118.6	165.5	177.1	0	0	0	0	108.8	I149 C150 N151 K152 F154 L160 H163 N164	C147-I149 PolarHBondContact O-N 3.42Å; C147-C150 PolarHBondContact O-N 2.87Å; C147-C150 VanDerWaalsContact SG-SG 3.66Å; C147-N151 WeakPolarHBondContact O-CA 3.44Å; C147-N151 PolarHBondContact O-N 2.76Å; C147-K152 PolarHBondContact N-O 2.79Å; C147-F154 HydrophobicContact CB-CE2 4.24Å; C147-L160 HydrophobicContact CB-CD1 3.68Å; C147-H163 VanDerWaalsContact SG-CD2 3.59Å; C147-N164 PolarHBondContact SG-OD1 3.26Å
148	D	77	Confident	78	Confident	134 Å²	134	88.4 Å²	88.4	72%	0.717	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.8	-176.6	-47.1	-38.5	0	0	0	112.6
149	I	71.9	Confident	78.2	Confident	127 Å²	127	85.6 Å²	85.6	65%	0.651	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-31.6	-178.9	-57.9	171.1	0	0	0	112.2	C147	C147-I149 PolarHBondContact O-N 3.42Å
150	C	75.2	Confident	78.1	Confident	33 Å²	33	83.9 Å²	83.9	22%	0.223	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.4	13.1	-174.2	73.1	0	0	0	0	115.2	C147 K152 H163 K167	C147-C150 PolarHBondContact O-N 2.87Å; C147-C150 VanDerWaalsContact SG-SG 3.66Å; C150-K152 PolarHBondContact O-N 3.31Å; C150-H163 PolarHBondContact SG-NE2 3.22Å; C150-K167 HydrophobicContact CB-CD 4.29Å; C150-K167 PolarHBondContact SG-NZ 2.77Å
151	N	74.6	Confident	77.7	Confident	125 Å²	125	85.3 Å²	85.3	67%	0.668	42%	0.417	S	S	*	.			trans	53.3	14.6	177.2	-64.1	-38.5	0	0	0	115.3	C147 R153	C147-N151 WeakPolarHBondContact O-CA 3.44Å; C147-N151 PolarHBondContact O-N 2.76Å; N151-R153 PolarHBondContact O-N 2.72Å
152	K	74.1	Confident	77.4	Confident	116 Å²	116	91.4 Å²	91.4	50%	0.504	43%	0.425	S	S	.	.			trans	-67.8	125.9	174.4	-74.1	-172.6	-179.3	-169.7	0	109.5	S146 C147 C150 F154	S146-K152 CarbonylContact C-O 3.59Å; S146-K152 WeakPolarHBondContact CA-O 3.37Å; C147-K152 PolarHBondContact N-O 2.79Å; C150-K152 PolarHBondContact O-N 3.31Å; K152-F154 HydrophobicContact CB-CE2 3.83Å; K152-F154 HydrophobicContact CB-CZ 3.87Å; K152-F154 WeakPolarHBondContact O-CD2 3.29Å; K152-F154 WeakPolarHBondContact O-CE2 3.42Å
153	R	81.8	Confident	77.2	Confident	140 Å²	140	88.8 Å²	88.8	53%	0.528	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	138.8	-179	-51.8	-174.7	68.4	123.9	1.1	111.9	R143 Y145 N151	R143-R153 HydrophobicContact CB-CB 3.49Å; R143-R153 VanDerWaalsContact CB-CB 3.49Å; R143-R153 WeakPolarHBondContact CD-O 3.32Å; R143-R153 HydrophobicContact CG-CB 4.39Å; R143-R153 PolarHBondContact NH1-O 3.15Å; R143-R153 PolarHBondContact O-NE 3.48Å; R143-R153 PolarHBondContact O-NH2 2.84Å; R143-R153 VanDerWaalsContact O-NH2 3.1Å; Y145-R153 CarbonylContact O-C 3.58Å; Y145-R153 WeakPolarHBondContact O-CA 3.24Å; N151-R153 PolarHBondContact O-N 2.72Å
154	F	78.7	Confident	76.7	Confident	38 Å²	38	85.2 Å²	85.2	17%	0.167	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	150.5	-175	-58.9	-86.2	0	0	0	111.4	R143 Y145 C147 K152 L160 H163	R143-F154 CarbonylContact C-O 3.16Å; R143-F154 VanDerWaalsContact C-O 3.31Å; R143-F154 WeakPolarHBondContact CA-O 3.39Å; Y145-F154 PolarHBondContact N-O 2.76Å; Y145-F154 WeakPolarHBondContact O-CD2 3.4Å; Y145-F154 PolarHBondContact O-N 3.15Å; C147-F154 HydrophobicContact CB-CE2 4.24Å; K152-F154 HydrophobicContact CB-CE2 3.83Å; K152-F154 HydrophobicContact CB-CZ 3.87Å; K152-F154 WeakPolarHBondContact O-CD2 3.29Å; K152-F154 WeakPolarHBondContact O-CE2 3.42Å; F154-L160 HydrophobicContact CB-CB 4.29Å; F154-L160 HydrophobicContact CD2-CB 3.82Å; F154-L160 HydrophobicContact CD2-CD1 3.67Å; F154-L160 HydrophobicContact CD2-CG 4.35Å; F154-L160 HydrophobicContact CE2-CD1 3.77Å; F154-L160 HydrophobicContact CG-CB 4.18Å; F154-H163 HydrophobicContact CE1-CB 3.76Å; F154-H163 HydrophobicContact CE2-CB 3.8Å; F154-H163 AromaticContact CE2-CD2 3.57Å; F154-H163 AromaticContact CE2-CG 3.64Å; F154-H163 HydrophobicContact CZ-CB 3.29Å; F154-H163 AromaticContact CZ-CD2 3.52Å; F154-H163 AromaticContact CZ-CG 3.13Å; F154-H163 AromaticContact CZ-ND1 3.58Å
155	T	78.3	Confident	75.8	Confident	42 Å²	42	82.4 Å²	82.4	26%	0.258	38%	0.383	S	S	.	.	S	Bend	trans	-82.6	-16.8	179.1	54.3	0	0	0	0	113.5	T137 R143	T137-T155 HydrophobicContact CG2-CG2 3.8Å; R143-T155 HydrophobicContact CG-CG2 3.94Å
156	K	79.6	Confident	74.5	Confident	105 Å²	105	80.5 Å²	80.5	46%	0.457	39%	0.392	S	S	.	.	S	Bend	trans	-139.5	138.2	-177.4	-63.6	-176.9	179.6	-179.7	0	110.7	R158 S159 L160	K156-R158 PolarHBondContact O-N 3.39Å; K156-R158 VanDerWaalsContact O-N 3.17Å; K156-S159 WeakPolarHBondContact O-CB 3.26Å; K156-S159 PolarHBondContact O-N 3.19Å; K156-L160 PolarHBondContact O-N 3.48Å
157	A	79.4	Confident	73.2	Confident	29 Å²	29	82.2 Å²	82.2	24%	0.24	39%	0.394	C	S	.	.	H	α-helix	trans	-55.9	-33.6	175.7	0	0	0	0	0	113.2	Y145 S159 L160 R161	Y145-A157 HydrophobicContact CD1-CB 3.87Å; Y145-A157 VanDerWaalsContact CD2-N 3.28Å; Y145-A157 HydrophobicContact CE1-CB 3.57Å; Y145-A157 HydrophobicContact CE2-CB 4.27Å; Y145-A157 HydrophobicContact CG-CB 4.35Å; A157-S159 VanDerWaalsContact C-N 3.33Å; A157-L160 PolarHBondContact O-N 3.38Å; A157-R161 WeakPolarHBondContact O-CG 3.48Å; A157-R161 PolarHBondContact O-N 3.23Å
158	R	76	Confident	71.7	Confident	195 Å²	195	88.4 Å²	88.4	74%	0.736	44%	0.437	S	S	*	.	H	α-helix	trans	-65.5	-35.7	175.8	-168.6	179.1	-167.1	-178.5	3.7	112.2	K156 R161 R162	K156-R158 PolarHBondContact O-N 3.39Å; K156-R158 VanDerWaalsContact O-N 3.17Å; R158-R161 PolarHBondContact O-N 3.43Å; R158-R162 WeakPolarHBondContact O-CB 3.23Å; R158-R162 PolarHBondContact O-N 2.82Å
159	S	79.6	Confident	70.3	Confident	29 Å²	29	84 Å²	84	20%	0.203	42%	0.423	C	S	.	.	H	α-helix	trans	-69.7	-40.6	177.1	-58.9	0	0	0	0	111.2	K156 A157 R162 H163	K156-S159 WeakPolarHBondContact O-CB 3.26Å; K156-S159 PolarHBondContact O-N 3.19Å; A157-S159 VanDerWaalsContact C-N 3.33Å; S159-R162 PolarHBondContact O-N 3.44Å; S159-H163 WeakPolarHBondContact O-CB 3.49Å; S159-H163 PolarHBondContact O-N 2.93Å
160	L	78.7	Confident	69.3	Low	26 Å²	26	84.5 Å²	84.5	14%	0.136	44%	0.435	C	S	.	.	H	α-helix	trans	-61.9	-48.3	171.3	174	62.4	0	0	0	111.4	S146 C147 F154 K156 A157 R162 H163 N164	S146-L160 WeakPolarHBondContact O-CD1 3.38Å; S146-L160 WeakPolarHBondContact O-CD2 3.49Å; C147-L160 HydrophobicContact CB-CD1 3.68Å; F154-L160 HydrophobicContact CB-CB 4.29Å; F154-L160 HydrophobicContact CD2-CB 3.82Å; F154-L160 HydrophobicContact CD2-CD1 3.67Å; F154-L160 HydrophobicContact CD2-CG 4.35Å; F154-L160 HydrophobicContact CE2-CD1 3.77Å; F154-L160 HydrophobicContact CG-CB 4.18Å; K156-L160 PolarHBondContact O-N 3.48Å; A157-L160 PolarHBondContact O-N 3.38Å; L160-R162 VanDerWaalsContact C-N 3.31Å; L160-R162 PolarHBondContact O-N 3.25Å; L160-H163 CarbonylContact O-C 3.31Å; L160-H163 WeakPolarHBondContact O-CA 3.25Å; L160-H163 WeakPolarHBondContact O-CB 3.38Å; L160-H163 PolarHBondContact O-N 3.35Å; L160-N164 WeakPolarHBondContact CD1-OD1 3.49Å; L160-N164 PolarHBondContact O-N 3.3Å; L160-N164 PolarHBondContact O-OD1 3.41Å
161	R	75.2	Confident	68.4	Low	174 Å²	174	89.1 Å²	89.1	66%	0.657	46%	0.457	S	S	*	.	H	α-helix	trans	-56.9	-43.6	176	-78.5	-173.6	-79.7	-161.1	-5.2	112.4	A157 R158 H163 N164 C165	A157-R161 WeakPolarHBondContact O-CG 3.48Å; A157-R161 PolarHBondContact O-N 3.23Å; R158-R161 PolarHBondContact O-N 3.43Å; R161-H163 VanDerWaalsContact C-N 3.32Å; R161-H163 PolarHBondContact O-N 3.27Å; R161-N164 PolarHBondContact O-N 2.81Å; R161-C165 WeakPolarHBondContact O-CB 3.38Å; R161-C165 PolarHBondContact O-N 3.09Å
162	R	67.8	Low	67.6	Low	175 Å²	175	87.2 Å²	87.2	66%	0.66	44%	0.442	S	S	*	.	H	α-helix	trans	-65.3	-35.8	175.2	-175.7	175.6	61.7	-178.9	0.3	112.2	R158 S159 L160 G166	R158-R162 WeakPolarHBondContact O-CB 3.23Å; R158-R162 PolarHBondContact O-N 2.82Å; S159-R162 PolarHBondContact O-N 3.44Å; L160-R162 VanDerWaalsContact C-N 3.31Å; L160-R162 PolarHBondContact O-N 3.25Å; R162-G166 PolarHBondContact O-N 3.35Å
163	H	74.4	Confident	67.4	Low	31 Å²	31	85.8 Å²	85.8	14%	0.144	45%	0.445	C	S	.	.	H	α-helix	trans	-67.1	-46.5	175.2	172.5	71.3	0	0	0	112.2	C147 C150 F154 S159 L160 R161 C165 G166 K167	C147-H163 VanDerWaalsContact SG-CD2 3.59Å; C150-H163 PolarHBondContact SG-NE2 3.22Å; F154-H163 HydrophobicContact CE1-CB 3.76Å; F154-H163 HydrophobicContact CE2-CB 3.8Å; F154-H163 AromaticContact CE2-CD2 3.57Å; F154-H163 AromaticContact CE2-CG 3.64Å; F154-H163 HydrophobicContact CZ-CB 3.29Å; F154-H163 AromaticContact CZ-CD2 3.52Å; F154-H163 AromaticContact CZ-CG 3.13Å; F154-H163 AromaticContact CZ-ND1 3.58Å; S159-H163 WeakPolarHBondContact O-CB 3.49Å; S159-H163 PolarHBondContact O-N 2.93Å; L160-H163 CarbonylContact O-C 3.31Å; L160-H163 WeakPolarHBondContact O-CA 3.25Å; L160-H163 WeakPolarHBondContact O-CB 3.38Å; L160-H163 PolarHBondContact O-N 3.35Å; R161-H163 VanDerWaalsContact C-N 3.32Å; R161-H163 PolarHBondContact O-N 3.27Å; H163-C165 PolarHBondContact O-N 3.42Å; H163-G166 WeakPolarHBondContact O-CA 3.33Å; H163-G166 PolarHBondContact O-N 2.72Å; H163-K167 PolarHBondContact O-N 3.22Å
164	N	69.4	Low	66.9	Low	55 Å²	55	82.4 Å²	82.4	29%	0.294	43%	0.434	S	S	.	.	H	α-helix	trans	-63.5	-30.6	176.8	-68.6	2.2	0	0	0	111.5	C147 L160 R161 G166	C147-N164 PolarHBondContact SG-OD1 3.26Å; L160-N164 WeakPolarHBondContact CD1-OD1 3.49Å; L160-N164 PolarHBondContact O-N 3.3Å; L160-N164 PolarHBondContact O-OD1 3.41Å; R161-N164 PolarHBondContact O-N 2.81Å; N164-G166 PolarHBondContact O-N 2.96Å
165	C	62.1	Low	66.7	Low	16 Å²	16	84.5 Å²	84.5	11%	0.108	45%	0.45	C	S	.	.	H	α-helix	trans	-67.4	-22.7	171.4	-171.5	0	0	0	0	113.1	R161 H163 L171 K172 S184	R161-C165 WeakPolarHBondContact O-CB 3.38Å; R161-C165 PolarHBondContact O-N 3.09Å; H163-C165 PolarHBondContact O-N 3.42Å; C165-L171 PolarHBondContact SG-O 3.1Å; C165-K172 WeakPolarHBondContact O-CE 3.4Å; C165-K172 WeakPolarHBondContact O-CG 3.34Å; C165-S184 WeakPolarHBondContact SG-CB 3.47Å
166	G	53	Low	66.8	Low	56 Å²	56	82.5 Å²	82.5	58%	0.577	44%	0.438	S	S	*	.	H	α-helix	trans	-90.5	-23.4	-178.5	0	0	0	0	0	115.1	R162 H163 N164	R162-G166 PolarHBondContact O-N 3.35Å; H163-G166 WeakPolarHBondContact O-CA 3.33Å; H163-G166 PolarHBondContact O-N 2.72Å; N164-G166 PolarHBondContact O-N 2.96Å
167	K	53.9	Low	66.8	Low	81 Å²	81	82.6 Å²	82.6	35%	0.352	44%	0.443	S	S	.	.	S	Bend	trans	-102.5	119.4	175.3	-72.5	-162	162.7	-162.9	0	108.4	C150 H163 G169	C150-K167 HydrophobicContact CB-CD 4.29Å; C150-K167 PolarHBondContact SG-NZ 2.77Å; H163-K167 PolarHBondContact O-N 3.22Å; K167-G169 PolarHBondContact O-N 3.47Å; K167-G169 VanDerWaalsContact O-N 3.14Å
168	S	46	Very low	66.7	Low	129 Å²	129	85.4 Å²	85.4	90%	0.902	46%	0.457	S	S	*	.	S	Bend	trans	-22.9	107.9	-179.7	-53.9	0	0	0	0	114.5
169	G	47	Very low	66.7	Low	41 Å²	41	79 Å²	79	42%	0.423	44%	0.442	S	S	.	.	S	Bend	trans	167.2	150.6	-179	0	0	0	0	0	110.9	K167 L171	K167-G169 PolarHBondContact O-N 3.47Å; K167-G169 VanDerWaalsContact O-N 3.14Å; G169-L171 VanDerWaalsContact C-N 3.28Å; G169-L171 PolarHBondContact O-N 3.33Å
170	P	51.3	Low	66.5	Low	138 Å²	138	80.1 Å²	80.1	90%	0.896	46%	0.458	S	S	*	.	S	Bend	trans	-72.6	19.4	-132.4	-17.7	31.2	0	0	0	118.7
171	L	55	Low	66.2	Low	131 Å²	131	86.3 Å²	86.3	69%	0.686	48%	0.48	S	S	*	.			trans	-123.8	46.5	-170.2	-72	167.2	0	0	0	112.9	C165 G169 P173	C165-L171 PolarHBondContact SG-O 3.1Å; G169-L171 VanDerWaalsContact C-N 3.28Å; G169-L171 PolarHBondContact O-N 3.33Å; L171-P173 VanDerWaalsContact O-CD 3.29Å; L171-P173 WeakPolarHBondContact O-CD 3.48Å
172	K	58.9	Low	66.2	Low	84 Å²	84	78.6 Å²	78.6	37%	0.365	45%	0.454	S	S	.	.			trans	-96.2	87.4	154.3	-80	163.8	161.7	-153	0	106.5	C165 F174 G182 F183	C165-K172 WeakPolarHBondContact O-CE 3.4Å; C165-K172 WeakPolarHBondContact O-CG 3.34Å; K172-F174 PolarHBondContact O-N 3.4Å; K172-G182 VanDerWaalsContact CD-C 3.46Å; K172-G182 VanDerWaalsContact CD-O 3.25Å; K172-G182 WeakPolarHBondContact CD-O 3.46Å; K172-G182 WeakPolarHBondContact CE-O 3.27Å; K172-G182 PolarHBondContact NZ-O 2.88Å; K172-F183 WeakPolarHBondContact CA-O 3.47Å
173	P	68.6	Low	66.5	Low	87 Å²	87	71.7 Å²	71.7	57%	0.565	43%	0.429	S	S	*	.			trans	-67.3	-13.5	-169.1	-12.1	28.5	0	0	0	112.4	L171	L171-P173 VanDerWaalsContact O-CD 3.29Å; L171-P173 WeakPolarHBondContact O-CD 3.48Å
174	F	71.1	Confident	66.4	Low	68 Å²	68	72.7 Å²	72.7	30%	0.298	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	97.2	-173.2	-56.2	-70.6	0	0	0	108.6	K172 F183 M186 M189	K172-F174 PolarHBondContact O-N 3.4Å; F174-F183 HydrophobicContact CB-CB 4.48Å; F174-F183 PolarHBondContact O-N 3.4Å; F174-M186 HydrophobicContact CD1-CB 3.63Å; F174-M186 HydrophobicContact CD1-CG 3.77Å; F174-M186 HydrophobicContact CD2-CB 4.2Å; F174-M186 HydrophobicContact CE1-CB 3.53Å; F174-M186 HydrophobicContact CE1-CG 3.81Å; F174-M186 HydrophobicContact CE1-SD 4.33Å; F174-M186 HydrophobicContact CE2-CB 4.1Å; F174-M186 HydrophobicContact CG-CB 3.96Å; F174-M186 HydrophobicContact CG-CG 4.46Å; F174-M186 HydrophobicContact CZ-CB 3.77Å; F174-M189 HydrophobicContact CB-CB 3.91Å; F174-M189 HydrophobicContact CB-CE 3.81Å; F174-M189 HydrophobicContact CB-CG 4.13Å; F174-M189 HydrophobicContact CD1-CE 4.03Å; F174-M189 HydrophobicContact CG-CE 4.32Å
175	V	76.3	Confident	66.6	Low	82 Å²	82	75.3 Å²	75.3	50%	0.497	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	136.8	177.2	-176.4	0	0	0	0	108.4	D177 G180	V175-D177 PolarHBondContact O-N 2.9Å; V175-G180 WeakPolarHBondContact CG1-O 3.33Å
176	C	78.9	Confident	67.3	Low	1 Å²	1	78.8 Å²	78.8	1%	0.007	47%	0.465	C	S	.	.			trans	-71.9	124.1	169.1	179.5	0	0	0	0	109	V178 G180 R181 F183 H197	C176-V178 VanDerWaalsContact C-N 3.27Å; C176-V178 PolarHBondContact O-N 3.05Å; C176-V178 PolarHBondContact SG-N 3.01Å; C176-G180 VanDerWaalsContact O-CA 3.24Å; C176-G180 WeakPolarHBondContact O-CA 3.49Å; C176-G180 PolarHBondContact O-N 3.32Å; C176-R181 PolarHBondContact N-O 2.85Å; C176-F183 HydrophobicContact CB-CE2 4.03Å; C176-H197 VanDerWaalsContact SG-CD2 3.55Å
177	D	80.6	Confident	68.6	Low	106 Å²	106	82 Å²	82	57%	0.567	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-33.1	174.6	53.4	-20.6	0	0	0	113.4	V175 R193	V175-D177 PolarHBondContact O-N 2.9Å; D177-R193 IonicContact OD1-CZ 4Å; D177-R193 IonicContact OD1-NE 2.95Å; D177-R193 PolarHBondContact OD1-NE 3.34Å; D177-R193 IonicContact OD2-CZ 2.73Å; D177-R193 IonicContact OD2-NE 3.18Å; D177-R193 PolarHBondContact OD2-NE 2.86Å; D177-R193 VanDerWaalsContact OD2-NE 3.12Å; D177-R193 IonicContact OD2-NH2 2.78Å; D177-R193 PolarHBondContact OD2-NH2 2.87Å
178	V	76.5	Confident	69.8	Low	88 Å²	88	80.2 Å²	80.2	53%	0.533	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-36.5	-176	-171.8	0	0	0	0	113.7	C176 H197	C176-V178 VanDerWaalsContact C-N 3.27Å; C176-V178 PolarHBondContact O-N 3.05Å; C176-V178 PolarHBondContact SG-N 3.01Å; V178-H197 HydrophobicContact CB-CB 4.44Å; V178-H197 HydrophobicContact CG1-CB 4.38Å; V178-H197 VanDerWaalsContact CG1-CE1 3.48Å; V178-H197 WeakPolarHBondContact CG1-CE1 3.37Å; V178-H197 VanDerWaalsContact CG1-ND1 3.25Å; V178-H197 WeakPolarHBondContact CG1-ND1 3.48Å; V178-H197 HydrophobicContact CG2-CB 4.28Å
179	C	76.2	Confident	71.5	Confident	61 Å²	61	75.4 Å²	75.4	41%	0.412	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	3.2	-176	69.7	0	0	0	0	115.4	R181 H192 H197	C179-R181 PolarHBondContact O-N 3.18Å; C179-R181 WeakPolarHBondContact SG-CB 3.29Å; C179-H192 PolarHBondContact SG-NE2 3.37Å; C179-H197 PolarHBondContact SG-NE2 3.24Å; C179-H197 VanDerWaalsContact SG-NE2 3.43Å
180	G	74.8	Confident	73.2	Confident	52 Å²	52	79.1 Å²	79.1	54%	0.536	43%	0.429	S	S	.	.			trans	66.3	5.4	-178.8	0	0	0	0	0	114.6	V175 C176 G182	V175-G180 WeakPolarHBondContact CG1-O 3.33Å; C176-G180 VanDerWaalsContact O-CA 3.24Å; C176-G180 WeakPolarHBondContact O-CA 3.49Å; C176-G180 PolarHBondContact O-N 3.32Å; G180-G182 PolarHBondContact O-N 3.45Å
181	R	74.2	Confident	74.4	Confident	157 Å²	157	73.6 Å²	73.6	59%	0.592	39%	0.393	S	S	*	.			trans	-72.4	119.3	-178.2	-170.1	169.1	-174.4	163.4	3.9	109.9	C176 C179 F183	C176-R181 PolarHBondContact N-O 2.85Å; C179-R181 PolarHBondContact O-N 3.18Å; C179-R181 WeakPolarHBondContact SG-CB 3.29Å; R181-F183 HydrophobicContact CB-CE2 3.95Å; R181-F183 HydrophobicContact CB-CZ 4.13Å; R181-F183 HydrophobicContact CG-CE2 4Å; R181-F183 HydrophobicContact CG-CZ 3.82Å; R181-F183 WeakPolarHBondContact O-CD2 3.38Å; R181-F183 WeakPolarHBondContact O-CE2 3.39Å
182	G	74	Confident	75.5	Confident	11 Å²	11	68.3 Å²	68.3	11%	0.113	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	140.4	174.6	0	0	0	0	0	113.4	K172 G180	K172-G182 VanDerWaalsContact CD-C 3.46Å; K172-G182 VanDerWaalsContact CD-O 3.25Å; K172-G182 WeakPolarHBondContact CD-O 3.46Å; K172-G182 WeakPolarHBondContact CE-O 3.27Å; K172-G182 PolarHBondContact NZ-O 2.88Å; G180-G182 PolarHBondContact O-N 3.45Å
183	F	74.2	Confident	76.5	Confident	30 Å²	30	68.7 Å²	68.7	13%	0.132	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	153.7	-179	-62.3	-91.7	0	0	0	111.5	K172 F174 C176 R181 M189 H192	K172-F183 WeakPolarHBondContact CA-O 3.47Å; F174-F183 HydrophobicContact CB-CB 4.48Å; F174-F183 PolarHBondContact O-N 3.4Å; C176-F183 HydrophobicContact CB-CE2 4.03Å; R181-F183 HydrophobicContact CB-CE2 3.95Å; R181-F183 HydrophobicContact CB-CZ 4.13Å; R181-F183 HydrophobicContact CG-CE2 4Å; R181-F183 HydrophobicContact CG-CZ 3.82Å; R181-F183 WeakPolarHBondContact O-CD2 3.38Å; R181-F183 WeakPolarHBondContact O-CE2 3.39Å; F183-M189 HydrophobicContact CB-CB 3.84Å; F183-M189 HydrophobicContact CD2-CB 3.46Å; F183-M189 VanDerWaalsContact CD2-CB 3.46Å; F183-M189 HydrophobicContact CD2-CG 3.63Å; F183-M189 HydrophobicContact CE2-CB 4.23Å; F183-M189 HydrophobicContact CE2-CG 4.18Å; F183-M189 HydrophobicContact CG-CB 3.7Å; F183-M189 HydrophobicContact CG-CG 4.38Å; F183-H192 HydrophobicContact CE1-CB 3.7Å; F183-H192 AromaticContact CE1-CG 3.89Å; F183-H192 HydrophobicContact CE2-CB 4.11Å; F183-H192 AromaticContact CE2-CD2 3.38Å; F183-H192 WeakPolarHBondContact CE2-CD2 3.42Å; F183-H192 AromaticContact CE2-CG 3.8Å; F183-H192 AromaticContact CE2-NE2 3.99Å; F183-H192 HydrophobicContact CZ-CB 3.42Å; F183-H192 VanDerWaalsContact CZ-CB 3.42Å; F183-H192 AromaticContact CZ-CD2 3.2Å; F183-H192 WeakPolarHBondContact CZ-CD2 3.22Å; F183-H192 AromaticContact CZ-CG 3.13Å; F183-H192 AromaticContact CZ-ND1 3.72Å; F183-H192 AromaticContact CZ-NE2 3.75Å
184	S	71.6	Confident	76.9	Confident	52 Å²	52	65.5 Å²	65.5	36%	0.364	35%	0.345	S	S	.	.	S	Bend	trans	-75.6	-27.7	177.6	57.8	0	0	0	0	113.3	C165	C165-S184 WeakPolarHBondContact SG-CB 3.47Å
185	H	74.5	Confident	76.9	Confident	111 Å²	111	63 Å²	63	51%	0.514	34%	0.336	S	S	.	.	S	Bend	trans	-132.7	147.7	-178.3	-57.8	160.3	0	0	0	111.6	H187 T188 M189	H185-H187 PolarHBondContact O-N 3.34Å; H185-T188 PolarHBondContact O-N 3.25Å; H185-T188 PolarHBondContact O-OG1 2.94Å; H185-M189 PolarHBondContact O-N 3.12Å
186	M	77.7	Confident	76.8	Confident	89 Å²	89	64.5 Å²	64.5	44%	0.438	34%	0.34	S	S	.	.	H	α-helix	trans	-59.5	-43.8	178.4	-166.3	-175.8	72.4	0	0	112.4	F174 T188 M189 K190	F174-M186 HydrophobicContact CD1-CB 3.63Å; F174-M186 HydrophobicContact CD1-CG 3.77Å; F174-M186 HydrophobicContact CD2-CB 4.2Å; F174-M186 HydrophobicContact CE1-CB 3.53Å; F174-M186 HydrophobicContact CE1-CG 3.81Å; F174-M186 HydrophobicContact CE1-SD 4.33Å; F174-M186 HydrophobicContact CE2-CB 4.1Å; F174-M186 HydrophobicContact CG-CB 3.96Å; F174-M186 HydrophobicContact CG-CG 4.46Å; F174-M186 HydrophobicContact CZ-CB 3.77Å; M186-T188 VanDerWaalsContact C-N 3.33Å; M186-T188 PolarHBondContact O-N 2.84Å; M186-M189 HydrophobicContact CG-CE 3.92Å; M186-M189 WeakPolarHBondContact O-CB 3.18Å; M186-M189 PolarHBondContact O-N 3.25Å; M186-M189 VanDerWaalsContact O-N 3.16Å; M186-K190 HydrophobicContact CE-CD 4.38Å; M186-K190 PolarHBondContact O-N 2.68Å
187	H	78.8	Confident	76.7	Confident	122 Å²	122	67.7 Å²	67.7	57%	0.565	36%	0.355	S	S	*	.	H	α-helix	trans	-60.1	-42.5	-179.4	-178.9	64.4	0	0	0	111.8	H185 M189 K190 T191	H185-H187 PolarHBondContact O-N 3.34Å; H187-M189 VanDerWaalsContact C-N 3.29Å; H187-M189 PolarHBondContact O-N 3.46Å; H187-K190 PolarHBondContact O-N 2.88Å; H187-T191 WeakPolarHBondContact O-CG2 3.23Å; H187-T191 PolarHBondContact O-N 3.28Å; H187-T191 PolarHBondContact O-OG1 3.46Å; H187-T191 VanDerWaalsContact O-OG1 3.1Å
188	T	79.2	Confident	76.4	Confident	45 Å²	45	67.9 Å²	67.9	28%	0.276	35%	0.352	S	S	.	.	H	α-helix	trans	-66.4	-31.3	178.1	48.9	0	0	0	0	113.2	H185 M186 T191 H192	H185-T188 PolarHBondContact O-N 3.25Å; H185-T188 PolarHBondContact O-OG1 2.94Å; M186-T188 VanDerWaalsContact C-N 3.33Å; M186-T188 PolarHBondContact O-N 2.84Å; T188-T191 VanDerWaalsContact CA-OG1 3.3Å; T188-T191 WeakPolarHBondContact CA-OG1 3.06Å; T188-T191 PolarHBondContact O-OG1 3.14Å; T188-H192 VanDerWaalsContact O-CB 3.24Å; T188-H192 WeakPolarHBondContact O-CB 3.45Å; T188-H192 PolarHBondContact O-N 3.24Å
189	M	82.3	Confident	75.9	Confident	28 Å²	28	66.1 Å²	66.1	14%	0.138	35%	0.352	C	S	.	.	H	α-helix	trans	-72.6	-44.5	174.1	177.3	-91.2	-63.1	0	0	111	F174 F183 H185 M186 H187 H192 R193	F174-M189 HydrophobicContact CB-CB 3.91Å; F174-M189 HydrophobicContact CB-CE 3.81Å; F174-M189 HydrophobicContact CB-CG 4.13Å; F174-M189 HydrophobicContact CD1-CE 4.03Å; F174-M189 HydrophobicContact CG-CE 4.32Å; F183-M189 HydrophobicContact CB-CB 3.84Å; F183-M189 HydrophobicContact CD2-CB 3.46Å; F183-M189 VanDerWaalsContact CD2-CB 3.46Å; F183-M189 HydrophobicContact CD2-CG 3.63Å; F183-M189 HydrophobicContact CE2-CB 4.23Å; F183-M189 HydrophobicContact CE2-CG 4.18Å; F183-M189 HydrophobicContact CG-CB 3.7Å; F183-M189 HydrophobicContact CG-CG 4.38Å; H185-M189 PolarHBondContact O-N 3.12Å; M186-M189 HydrophobicContact CG-CE 3.92Å; M186-M189 WeakPolarHBondContact O-CB 3.18Å; M186-M189 PolarHBondContact O-N 3.25Å; M186-M189 VanDerWaalsContact O-N 3.16Å; H187-M189 VanDerWaalsContact C-N 3.29Å; H187-M189 PolarHBondContact O-N 3.46Å; M189-H192 WeakPolarHBondContact O-CB 3.36Å; M189-H192 PolarHBondContact O-N 3Å; M189-R193 WeakPolarHBondContact O-CB 3.26Å; M189-R193 PolarHBondContact O-N 2.84Å
190	K	81.8	Confident	75.3	Confident	118 Å²	118	65.7 Å²	65.7	51%	0.513	35%	0.349	S	S	.	.	H	α-helix	trans	-60.7	-45.6	173.6	-73	-169.1	177.3	-168.4	0	112.3	M186 H187 H192 R193 A194	M186-K190 HydrophobicContact CE-CD 4.38Å; M186-K190 PolarHBondContact O-N 2.68Å; H187-K190 PolarHBondContact O-N 2.88Å; K190-H192 VanDerWaalsContact C-N 3.29Å; K190-H192 PolarHBondContact O-N 2.98Å; K190-R193 PolarHBondContact O-N 3.42Å; K190-A194 VanDerWaalsContact O-CB 3.31Å; K190-A194 WeakPolarHBondContact O-CB 3.22Å; K190-A194 PolarHBondContact O-N 3.36Å
191	T	77.3	Confident	75.1	Confident	22 Å²	22	66.4 Å²	66.4	14%	0.135	34%	0.338	C	S	.	.	H	α-helix	trans	-64.8	-34.7	176.1	53.5	0	0	0	0	112	H187 T188 S195	H187-T191 WeakPolarHBondContact O-CG2 3.23Å; H187-T191 PolarHBondContact O-N 3.28Å; H187-T191 PolarHBondContact O-OG1 3.46Å; H187-T191 VanDerWaalsContact O-OG1 3.1Å; T188-T191 VanDerWaalsContact CA-OG1 3.3Å; T188-T191 WeakPolarHBondContact CA-OG1 3.06Å; T188-T191 PolarHBondContact O-OG1 3.14Å; T191-S195 VanDerWaalsContact O-CB 3.26Å; T191-S195 WeakPolarHBondContact O-CB 3.45Å; T191-S195 PolarHBondContact O-N 3.38Å; T191-S195 PolarHBondContact O-OG 2.72Å
192	H	78.5	Confident	75.1	Confident	21 Å²	21	62.4 Å²	62.4	10%	0.097	33%	0.332	C	S	.	.	H	α-helix	trans	-66	-48.1	173.9	160.9	74.5	0	0	0	111.5	C179 F183 T188 M189 K190 S195 I196 H197	C179-H192 PolarHBondContact SG-NE2 3.37Å; F183-H192 HydrophobicContact CE1-CB 3.7Å; F183-H192 AromaticContact CE1-CG 3.89Å; F183-H192 HydrophobicContact CE2-CB 4.11Å; F183-H192 AromaticContact CE2-CD2 3.38Å; F183-H192 WeakPolarHBondContact CE2-CD2 3.42Å; F183-H192 AromaticContact CE2-CG 3.8Å; F183-H192 AromaticContact CE2-NE2 3.99Å; F183-H192 HydrophobicContact CZ-CB 3.42Å; F183-H192 VanDerWaalsContact CZ-CB 3.42Å; F183-H192 AromaticContact CZ-CD2 3.2Å; F183-H192 WeakPolarHBondContact CZ-CD2 3.22Å; F183-H192 AromaticContact CZ-CG 3.13Å; F183-H192 AromaticContact CZ-ND1 3.72Å; F183-H192 AromaticContact CZ-NE2 3.75Å; T188-H192 VanDerWaalsContact O-CB 3.24Å; T188-H192 WeakPolarHBondContact O-CB 3.45Å; T188-H192 PolarHBondContact O-N 3.24Å; M189-H192 WeakPolarHBondContact O-CB 3.36Å; M189-H192 PolarHBondContact O-N 3Å; K190-H192 VanDerWaalsContact C-N 3.29Å; K190-H192 PolarHBondContact O-N 2.98Å; H192-S195 PolarHBondContact O-N 2.94Å; H192-S195 PolarHBondContact O-OG 3.26Å; H192-I196 WeakPolarHBondContact ND1-CG1 3.38Å; H192-I196 VanDerWaalsContact O-CB 3.32Å; H192-I196 WeakPolarHBondContact O-CB 3.44Å; H192-I196 WeakPolarHBondContact O-CG1 3.35Å; H192-I196 PolarHBondContact O-N 3.4Å; H192-H197 AromaticContact CE1-NE2 3.91Å; H192-H197 AromaticContact NE2-CD2 3.9Å; H192-H197 AromaticContact NE2-NE2 3.51Å
193	R	79.1	Confident	75.2	Confident	91 Å²	91	65.4 Å²	65.4	34%	0.343	34%	0.343	S	S	.	.	I	π-helix	trans	-57.8	-50.4	176.8	-169.2	179.1	-168.5	-111.4	15.4	111	D177 M189 K190 S195 H197 E198	D177-R193 IonicContact OD1-CZ 4Å; D177-R193 IonicContact OD1-NE 2.95Å; D177-R193 PolarHBondContact OD1-NE 3.34Å; D177-R193 IonicContact OD2-CZ 2.73Å; D177-R193 IonicContact OD2-NE 3.18Å; D177-R193 PolarHBondContact OD2-NE 2.86Å; D177-R193 VanDerWaalsContact OD2-NE 3.12Å; D177-R193 IonicContact OD2-NH2 2.78Å; D177-R193 PolarHBondContact OD2-NH2 2.87Å; M189-R193 WeakPolarHBondContact O-CB 3.26Å; M189-R193 PolarHBondContact O-N 2.84Å; K190-R193 PolarHBondContact O-N 3.42Å; R193-S195 PolarHBondContact O-N 3.24Å; R193-H197 WeakPolarHBondContact O-CA 3.29Å; R193-H197 WeakPolarHBondContact O-CB 3.39Å; R193-H197 PolarHBondContact O-N 2.87Å; R193-E198 IonicContact CZ-OE1 3.83Å; R193-E198 IonicContact NH1-OE1 3.99Å; R193-E198 PolarHBondContact NH1-OE1 3.05Å; R193-E198 PolarHBondContact O-N 2.75Å
194	A	77	Confident	75.2	Confident	21 Å²	21	66.4 Å²	66.4	17%	0.174	36%	0.356	C	S	.	.	I	π-helix	trans	-58.2	-48.3	177.1	0	0	0	0	0	112.2	K190 E198 G199 C200	K190-A194 VanDerWaalsContact O-CB 3.31Å; K190-A194 WeakPolarHBondContact O-CB 3.22Å; K190-A194 PolarHBondContact O-N 3.36Å; A194-E198 CarbonylContact O-C 3.59Å; A194-E198 WeakPolarHBondContact O-CB 3.36Å; A194-E198 PolarHBondContact O-N 3.27Å; A194-G199 PolarHBondContact O-N 3.23Å; A194-G199 VanDerWaalsContact O-N 3.11Å; A194-C200 HydrophobicContact CB-CB 4.28Å; A194-C200 WeakPolarHBondContact O-CA 3.33Å; A194-C200 WeakPolarHBondContact O-CB 3.27Å; A194-C200 PolarHBondContact O-N 2.98Å
195	S	72.1	Confident	75.5	Confident	16 Å²	16	64.1 Å²	64.1	11%	0.112	34%	0.34	C	S	.	.	I	π-helix	trans	-81.2	-32	-173.1	58.8	0	0	0	0	115.3	T191 H192 R193	T191-S195 VanDerWaalsContact O-CB 3.26Å; T191-S195 WeakPolarHBondContact O-CB 3.45Å; T191-S195 PolarHBondContact O-N 3.38Å; T191-S195 PolarHBondContact O-OG 2.72Å; H192-S195 PolarHBondContact O-N 2.94Å; H192-S195 PolarHBondContact O-OG 3.26Å; R193-S195 PolarHBondContact O-N 3.24Å
196	I	73.7	Confident	75.7	Confident	113 Å²	113	62.9 Å²	62.9	58%	0.579	36%	0.357	S	S	*	.	I	π-helix	trans	-98.5	-39.3	-174.1	-58.4	-58.4	0	0	0	111.9	H192	H192-I196 WeakPolarHBondContact ND1-CG1 3.38Å; H192-I196 VanDerWaalsContact O-CB 3.32Å; H192-I196 WeakPolarHBondContact O-CB 3.44Å; H192-I196 WeakPolarHBondContact O-CG1 3.35Å; H192-I196 PolarHBondContact O-N 3.4Å
197	H	76.1	Confident	75.6	Confident	68 Å²	68	64.4 Å²	64.4	32%	0.315	37%	0.367	S	S	.	.	I	π-helix	trans	-99.4	-39.7	-174.7	-62.9	-61.2	0	0	0	112.1	C176 V178 C179 H192 R193	C176-H197 VanDerWaalsContact SG-CD2 3.55Å; V178-H197 HydrophobicContact CB-CB 4.44Å; V178-H197 HydrophobicContact CG1-CB 4.38Å; V178-H197 VanDerWaalsContact CG1-CE1 3.48Å; V178-H197 WeakPolarHBondContact CG1-CE1 3.37Å; V178-H197 VanDerWaalsContact CG1-ND1 3.25Å; V178-H197 WeakPolarHBondContact CG1-ND1 3.48Å; V178-H197 HydrophobicContact CG2-CB 4.28Å; C179-H197 PolarHBondContact SG-NE2 3.24Å; C179-H197 VanDerWaalsContact SG-NE2 3.43Å; H192-H197 AromaticContact CE1-NE2 3.91Å; H192-H197 AromaticContact NE2-CD2 3.9Å; H192-H197 AromaticContact NE2-NE2 3.51Å; R193-H197 WeakPolarHBondContact O-CA 3.29Å; R193-H197 WeakPolarHBondContact O-CB 3.39Å; R193-H197 PolarHBondContact O-N 2.87Å
198	E	74.6	Confident	75.2	Confident	110 Å²	110	61.9 Å²	61.9	51%	0.514	36%	0.362	S	S	.	.	S	Bend	trans	-94.6	-4.9	-178.5	-57.3	167.7	-173.4	0	0	112.7	R193 A194 C200	R193-E198 IonicContact CZ-OE1 3.83Å; R193-E198 IonicContact NH1-OE1 3.99Å; R193-E198 PolarHBondContact NH1-OE1 3.05Å; R193-E198 PolarHBondContact O-N 2.75Å; A194-E198 CarbonylContact O-C 3.59Å; A194-E198 WeakPolarHBondContact O-CB 3.36Å; A194-E198 PolarHBondContact O-N 3.27Å; E198-C200 HydrophobicContact CB-CB 4.33Å; E198-C200 PolarHBondContact O-N 2.84Å
199	G	65.5	Low	75	Confident	51 Å²	51	62.2 Å²	62.2	53%	0.526	37%	0.374	S	S	.	.			trans	60.6	13.7	-176.8	0	0	0	0	0	114.3	A194 H201	A194-G199 PolarHBondContact O-N 3.23Å; A194-G199 VanDerWaalsContact O-N 3.11Å; G199-H201 PolarHBondContact O-N 2.77Å
200	C	64.2	Low	74.5	Confident	52 Å²	52	62.5 Å²	62.5	35%	0.351	38%	0.381	S	S	.	.			trans	-83.4	109.8	-173.5	-170.1	0	0	0	0	110.2	A194 E198 P202	A194-C200 HydrophobicContact CB-CB 4.28Å; A194-C200 WeakPolarHBondContact O-CA 3.33Å; A194-C200 WeakPolarHBondContact O-CB 3.27Å; A194-C200 PolarHBondContact O-N 2.98Å; E198-C200 HydrophobicContact CB-CB 4.33Å; E198-C200 PolarHBondContact O-N 2.84Å; C200-P202 WeakPolarHBondContact O-CD 3.49Å
201	H	71.4	Confident	74.3	Confident	66 Å²	66	64.2 Å²	64.2	31%	0.306	39%	0.385	S	S	.	.			trans	-109.3	91.4	167.2	-63.6	-67.1	0	0	0	108	G199 F203 R211 F212	G199-H201 PolarHBondContact O-N 2.77Å; H201-F203 PolarHBondContact O-N 3.14Å; H201-R211 HydrophobicContact CB-CB 3.47Å; H201-R211 VanDerWaalsContact CB-CB 3.47Å; H201-R211 PolarHBondContact O-NE 2.63Å; H201-R211 PolarHBondContact O-NH2 2.84Å; H201-F212 CarbonylContact C-O 3.53Å; H201-F212 WeakPolarHBondContact CA-O 3.25Å
202	P	73.1	Confident	74.2	Confident	73 Å²	73	65 Å²	65	47%	0.474	39%	0.386	S	S	.	.			trans	-67.7	-24.9	-169.7	-17.7	30	0	0	0	113	C200 A204	C200-P202 WeakPolarHBondContact O-CD 3.49Å; P202-A204 PolarHBondContact O-N 3.25Å
203	F	76.5	Confident	74	Confident	75 Å²	75	70 Å²	70	33%	0.329	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	93.7	-170.2	-57.6	-76.7	0	0	0	110	H201 R211 F212 S215 L218	H201-F203 PolarHBondContact O-N 3.14Å; F203-R211 CarbonylContact O-C 3.39Å; F203-R211 WeakPolarHBondContact O-CA 3.43Å; F203-F212 HydrophobicContact CB-CB 4.31Å; F203-F212 PolarHBondContact N-O 2.69Å; F203-F212 WeakPolarHBondContact O-CD2 3.33Å; F203-F212 PolarHBondContact O-N 3.24Å; F203-S215 VanDerWaalsContact CD2-N 3.32Å; F203-L218 HydrophobicContact CB-CB 3.97Å; F203-L218 HydrophobicContact CB-CD2 3.84Å; F203-L218 HydrophobicContact CB-CG 4.5Å
204	A	74.9	Confident	74	Confident	51 Å²	51	68.4 Å²	68.4	42%	0.421	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	141.2	174.7	0	0	0	0	0	111.3	P202 G206 A210 R211	P202-A204 PolarHBondContact O-N 3.25Å; A204-G206 PolarHBondContact O-N 3.49Å; A204-A210 CarbonylContact C-O 3.31Å; A204-A210 WeakPolarHBondContact CA-O 3.28Å; A204-R211 HydrophobicContact CB-CG 4.15Å
205	C	76.6	Confident	74.2	Confident	3 Å²	3	70.1 Å²	70.1	2%	0.02	41%	0.411	C	S	.	.			trans	-78.9	116.9	168.9	-173.4	0	0	0	0	109.7	L207 C208 G209 A210 F212 L218 H221 H226	C205-L207 PolarHBondContact O-N 2.83Å; C205-L207 VanDerWaalsContact O-N 3.09Å; C205-C208 PolarHBondContact O-N 3.22Å; C205-G209 WeakPolarHBondContact O-CA 3.43Å; C205-G209 PolarHBondContact O-N 3.38Å; C205-A210 HydrophobicContact CB-CB 4.47Å; C205-A210 PolarHBondContact N-O 3.11Å; C205-F212 HydrophobicContact CB-CE2 4.34Å; C205-L218 HydrophobicContact CB-CD1 3.61Å; C205-H221 WeakPolarHBondContact CB-NE2 3.13Å; C205-H221 VanDerWaalsContact SG-CD2 3.59Å; C205-H221 PolarHBondContact SG-NE2 3.13Å; C205-H226 PolarHBondContact SG-CD2 2.8Å; C205-H226 PolarHBondContact SG-NE2 3.25Å
206	G	79.7	Confident	74.6	Confident	85 Å²	85	72 Å²	72	88%	0.876	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-11.4	176.8	0	0	0	0	0	114.9	A204	A204-G206 PolarHBondContact O-N 3.49Å
207	L	74.8	Confident	74.8	Confident	121 Å²	121	68.9 Å²	68.9	63%	0.634	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-26.3	-177.3	-63.6	174.2	0	0	0	114.2	C205 H226	C205-L207 PolarHBondContact O-N 2.83Å; C205-L207 VanDerWaalsContact O-N 3.09Å; L207-H226 VanDerWaalsContact CB-CE1 3.4Å; L207-H226 WeakPolarHBondContact CB-CE1 3.32Å; L207-H226 HydrophobicContact CD1-CB 3.5Å; L207-H226 VanDerWaalsContact CD1-CG 3.45Å
208	C	71	Confident	75	Confident	69 Å²	69	66.8 Å²	66.8	47%	0.466	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.4	0.5	179	66.5	0	0	0	0	114.8	C205 A210 H221 H226	C205-C208 PolarHBondContact O-N 3.22Å; C208-A210 PolarHBondContact O-N 2.84Å; C208-A210 WeakPolarHBondContact SG-CB 3.31Å; C208-H221 PolarHBondContact SG-CE1 2.89Å; C208-H221 PolarHBondContact SG-NE2 3.2Å; C208-H226 PolarHBondContact SG-NE2 2.86Å
209	G	74.7	Confident	75.3	Confident	52 Å²	52	65.1 Å²	65.1	54%	0.536	39%	0.39	S	S	.	.			trans	73	-1.6	-178	0	0	0	0	0	115.1	C205 R211	C205-G209 WeakPolarHBondContact O-CA 3.43Å; C205-G209 PolarHBondContact O-N 3.38Å; G209-R211 WeakPolarHBondContact O-CG 3.41Å; G209-R211 PolarHBondContact O-N 3.15Å
210	A	72.5	Confident	75.7	Confident	34 Å²	34	68.7 Å²	68.7	28%	0.281	39%	0.392	S	S	.	.			trans	-60.2	131.3	176.9	0	0	0	0	0	110.8	A204 C205 C208 F212	A204-A210 CarbonylContact C-O 3.31Å; A204-A210 WeakPolarHBondContact CA-O 3.28Å; C205-A210 HydrophobicContact CB-CB 4.47Å; C205-A210 PolarHBondContact N-O 3.11Å; C208-A210 PolarHBondContact O-N 2.84Å; C208-A210 WeakPolarHBondContact SG-CB 3.31Å; A210-F212 HydrophobicContact CB-CE2 3.73Å; A210-F212 HydrophobicContact CB-CZ 3.76Å; A210-F212 VanDerWaalsContact O-CE2 3.3Å; A210-F212 WeakPolarHBondContact O-CE2 3.03Å
211	R	76.7	Confident	76.3	Confident	155 Å²	155	67.2 Å²	67.2	59%	0.585	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	140.5	-176.9	-51.3	-175.9	67.6	134.6	-1.7	111.3	H201 F203 A204 G209	H201-R211 HydrophobicContact CB-CB 3.47Å; H201-R211 VanDerWaalsContact CB-CB 3.47Å; H201-R211 PolarHBondContact O-NE 2.63Å; H201-R211 PolarHBondContact O-NH2 2.84Å; F203-R211 CarbonylContact O-C 3.39Å; F203-R211 WeakPolarHBondContact O-CA 3.43Å; A204-R211 HydrophobicContact CB-CG 4.15Å; G209-R211 WeakPolarHBondContact O-CG 3.41Å; G209-R211 PolarHBondContact O-N 3.15Å
212	F	75.3	Confident	76.6	Confident	38 Å²	38	69.8 Å²	69.8	17%	0.167	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	152.6	-174.3	-58	-85.9	0	0	0	111.3	H201 F203 C205 A210 E217 L218 H221	H201-F212 CarbonylContact C-O 3.53Å; H201-F212 WeakPolarHBondContact CA-O 3.25Å; F203-F212 HydrophobicContact CB-CB 4.31Å; F203-F212 PolarHBondContact N-O 2.69Å; F203-F212 WeakPolarHBondContact O-CD2 3.33Å; F203-F212 PolarHBondContact O-N 3.24Å; C205-F212 HydrophobicContact CB-CE2 4.34Å; A210-F212 HydrophobicContact CB-CE2 3.73Å; A210-F212 HydrophobicContact CB-CZ 3.76Å; A210-F212 VanDerWaalsContact O-CE2 3.3Å; A210-F212 WeakPolarHBondContact O-CE2 3.03Å; F212-E217 HydrophobicContact CB-CB 4.09Å; F212-E217 HydrophobicContact CD1-CB 3.94Å; F212-E217 HydrophobicContact CG-CB 4.29Å; F212-L218 HydrophobicContact CB-CB 4.22Å; F212-L218 HydrophobicContact CD2-CB 3.79Å; F212-L218 HydrophobicContact CD2-CD1 3.66Å; F212-L218 HydrophobicContact CD2-CG 4.32Å; F212-L218 HydrophobicContact CE2-CD1 3.81Å; F212-L218 HydrophobicContact CG-CB 4.16Å; F212-H221 HydrophobicContact CE1-CB 3.73Å; F212-H221 HydrophobicContact CE2-CB 3.78Å; F212-H221 AromaticContact CE2-CD2 3.46Å; F212-H221 VanDerWaalsContact CE2-CD2 3.46Å; F212-H221 WeakPolarHBondContact CE2-CD2 3.34Å; F212-H221 AromaticContact CE2-CG 3.52Å; F212-H221 HydrophobicContact CZ-CB 3.28Å; F212-H221 AromaticContact CZ-CD2 3.58Å; F212-H221 AromaticContact CZ-CG 3.13Å; F212-H221 AromaticContact CZ-ND1 3.49Å; F212-H221 WeakPolarHBondContact CZ-ND1 3.34Å
213	R	74.2	Confident	76.7	Confident	125 Å²	125	72.5 Å²	72.5	47%	0.472	39%	0.387	S	S	.	.	S	Bend	trans	-78.2	-24.1	177.7	54.1	171.6	-179.9	-161.3	0.9	113.1	E217	R213-E217 WeakPolarHBondContact CG-OE2 3.37Å; R213-E217 IonicContact CZ-OE1 2.73Å; R213-E217 IonicContact NE-OE1 3.33Å; R213-E217 PolarHBondContact NE-OE1 3.31Å; R213-E217 IonicContact NE-OE2 3.12Å; R213-E217 PolarHBondContact NE-OE2 3.39Å; R213-E217 IonicContact NH2-OE1 3.94Å; R213-E217 PolarHBondContact NH2-OE1 3.07Å
214	E	78.7	Confident	76.2	Confident	58 Å²	58	70.4 Å²	70.4	27%	0.271	38%	0.381	S	S	.	.	S	Bend	trans	-134.2	146	-179.2	-69.7	-177.8	-162.4	0	0	111.6	S216 E217 L218	E214-S216 PolarHBondContact O-N 3.39Å; E214-S216 PolarHBondContact OE2-OG 3.34Å; E214-E217 HydrophobicContact CB-CG 4.34Å; E214-E217 PolarHBondContact O-N 3.28Å; E214-E217 VanDerWaalsContact O-N 3.08Å; E214-L218 PolarHBondContact O-N 2.77Å; E214-L218 VanDerWaalsContact O-N 3.16Å
215	S	82.1	Confident	75.8	Confident	58 Å²	58	74.5 Å²	74.5	41%	0.406	39%	0.389	S	S	.	.	H	α-helix	trans	-57.5	-33	172	-179.7	0	0	0	0	112.2	F203 E217 L218 Q219	F203-S215 VanDerWaalsContact CD2-N 3.32Å; S215-E217 VanDerWaalsContact C-N 3.29Å; S215-E217 PolarHBondContact O-N 3.23Å; S215-L218 PolarHBondContact O-N 3.37Å; S215-Q219 WeakPolarHBondContact O-CB 3.32Å; S215-Q219 WeakPolarHBondContact O-CG 3.3Å; S215-Q219 PolarHBondContact O-N 3.39Å
216	S	80.7	Confident	75.7	Confident	54 Å²	54	77.6 Å²	77.6	38%	0.378	40%	0.403	S	S	.	.	H	α-helix	trans	-62.9	-35	177.6	79.8	0	0	0	0	112.4	E214 K220	E214-S216 PolarHBondContact O-N 3.39Å; E214-S216 PolarHBondContact OE2-OG 3.34Å; S216-K220 VanDerWaalsContact O-CG 3.26Å; S216-K220 WeakPolarHBondContact O-CG 3.21Å; S216-K220 PolarHBondContact O-N 3.18Å; S216-K220 VanDerWaalsContact O-N 3.15Å
217	E	76.7	Confident	75.3	Confident	49 Å²	49	76.7 Å²	76.7	23%	0.229	39%	0.388	C	S	.	.	H	α-helix	trans	-78	-40.6	177.7	-68.2	179.7	169.1	0	0	111.5	F212 R213 E214 S215 Q219 K220 H221	F212-E217 HydrophobicContact CB-CB 4.09Å; F212-E217 HydrophobicContact CD1-CB 3.94Å; F212-E217 HydrophobicContact CG-CB 4.29Å; R213-E217 WeakPolarHBondContact CG-OE2 3.37Å; R213-E217 IonicContact CZ-OE1 2.73Å; R213-E217 IonicContact NE-OE1 3.33Å; R213-E217 PolarHBondContact NE-OE1 3.31Å; R213-E217 IonicContact NE-OE2 3.12Å; R213-E217 PolarHBondContact NE-OE2 3.39Å; R213-E217 IonicContact NH2-OE1 3.94Å; R213-E217 PolarHBondContact NH2-OE1 3.07Å; E214-E217 HydrophobicContact CB-CG 4.34Å; E214-E217 PolarHBondContact O-N 3.28Å; E214-E217 VanDerWaalsContact O-N 3.08Å; S215-E217 VanDerWaalsContact C-N 3.29Å; S215-E217 PolarHBondContact O-N 3.23Å; E217-Q219 VanDerWaalsContact C-N 3.34Å; E217-Q219 PolarHBondContact O-N 3.11Å; E217-K220 PolarHBondContact O-N 2.94Å; E217-H221 WeakPolarHBondContact O-CB 3.22Å; E217-H221 PolarHBondContact O-N 3.37Å
218	L	81.1	Confident	74.6	Confident	23 Å²	23	73.6 Å²	73.6	12%	0.12	39%	0.385	C	S	.	.	H	α-helix	trans	-59.9	-44.6	172	173.1	62	0	0	0	111.4	F203 C205 F212 E214 S215 H221 R222	F203-L218 HydrophobicContact CB-CB 3.97Å; F203-L218 HydrophobicContact CB-CD2 3.84Å; F203-L218 HydrophobicContact CB-CG 4.5Å; C205-L218 HydrophobicContact CB-CD1 3.61Å; F212-L218 HydrophobicContact CB-CB 4.22Å; F212-L218 HydrophobicContact CD2-CB 3.79Å; F212-L218 HydrophobicContact CD2-CD1 3.66Å; F212-L218 HydrophobicContact CD2-CG 4.32Å; F212-L218 HydrophobicContact CE2-CD1 3.81Å; F212-L218 HydrophobicContact CG-CB 4.16Å; E214-L218 PolarHBondContact O-N 2.77Å; E214-L218 VanDerWaalsContact O-N 3.16Å; S215-L218 PolarHBondContact O-N 3.37Å; L218-H221 WeakPolarHBondContact O-CB 3.43Å; L218-H221 PolarHBondContact O-N 3.2Å; L218-R222 HydrophobicContact CD1-CG 4.07Å; L218-R222 HydrophobicContact CG-CG 4.47Å; L218-R222 WeakPolarHBondContact O-CG 3.32Å; L218-R222 PolarHBondContact O-N 3.5Å
219	Q	81.3	Confident	74	Confident	75 Å²	75	76.2 Å²	76.2	35%	0.35	39%	0.39	S	S	.	.	H	α-helix	trans	-60.3	-45.4	176.2	-82.8	-73.3	-18.8	0	0	111.7	S215 E217 H221 R222 R223	S215-Q219 WeakPolarHBondContact O-CB 3.32Å; S215-Q219 WeakPolarHBondContact O-CG 3.3Å; S215-Q219 PolarHBondContact O-N 3.39Å; E217-Q219 VanDerWaalsContact C-N 3.34Å; E217-Q219 PolarHBondContact O-N 3.11Å; Q219-H221 PolarHBondContact O-N 2.97Å; Q219-R222 PolarHBondContact O-N 2.99Å; Q219-R223 WeakPolarHBondContact O-CG 3.48Å; Q219-R223 PolarHBondContact O-N 3.48Å
220	K	73.6	Confident	73.2	Confident	127 Å²	127	77.4 Å²	77.4	55%	0.552	38%	0.383	S	S	*	.	H	α-helix	trans	-61.6	-42.9	174.6	-74	170.9	-175.2	176.5	0	111.9	S216 E217 R223 T224	S216-K220 VanDerWaalsContact O-CG 3.26Å; S216-K220 WeakPolarHBondContact O-CG 3.21Å; S216-K220 PolarHBondContact O-N 3.18Å; S216-K220 VanDerWaalsContact O-N 3.15Å; E217-K220 PolarHBondContact O-N 2.94Å; K220-R223 PolarHBondContact O-N 3.33Å; K220-T224 WeakPolarHBondContact O-CB 3.16Å; K220-T224 WeakPolarHBondContact O-CG2 3.39Å; K220-T224 PolarHBondContact O-N 3.4Å; K220-T224 PolarHBondContact O-OG1 2.87Å
221	H	76	Confident	72.9	Confident	20 Å²	20	79 Å²	79	9%	0.093	39%	0.393	C	S	.	.	H	α-helix	trans	-60.8	-46.5	175.4	161.4	78.9	0	0	0	111.7	C205 C208 F212 E217 L218 Q219 R223 T224 F225 H226	C205-H221 WeakPolarHBondContact CB-NE2 3.13Å; C205-H221 VanDerWaalsContact SG-CD2 3.59Å; C205-H221 PolarHBondContact SG-NE2 3.13Å; C208-H221 PolarHBondContact SG-CE1 2.89Å; C208-H221 PolarHBondContact SG-NE2 3.2Å; F212-H221 HydrophobicContact CE1-CB 3.73Å; F212-H221 HydrophobicContact CE2-CB 3.78Å; F212-H221 AromaticContact CE2-CD2 3.46Å; F212-H221 VanDerWaalsContact CE2-CD2 3.46Å; F212-H221 WeakPolarHBondContact CE2-CD2 3.34Å; F212-H221 AromaticContact CE2-CG 3.52Å; F212-H221 HydrophobicContact CZ-CB 3.28Å; F212-H221 AromaticContact CZ-CD2 3.58Å; F212-H221 AromaticContact CZ-CG 3.13Å; F212-H221 AromaticContact CZ-ND1 3.49Å; F212-H221 WeakPolarHBondContact CZ-ND1 3.34Å; E217-H221 WeakPolarHBondContact O-CB 3.22Å; E217-H221 PolarHBondContact O-N 3.37Å; L218-H221 WeakPolarHBondContact O-CB 3.43Å; L218-H221 PolarHBondContact O-N 3.2Å; Q219-H221 PolarHBondContact O-N 2.97Å; H221-R223 PolarHBondContact O-N 3.08Å; H221-T224 PolarHBondContact O-N 2.87Å; H221-T224 PolarHBondContact O-OG1 3.36Å; H221-F225 AromaticContact ND1-CD2 3.45Å; H221-F225 WeakPolarHBondContact ND1-CD2 3.23Å; H221-F225 AromaticContact ND1-CG 4Å; H221-F225 WeakPolarHBondContact O-CB 3.31Å; H221-F225 PolarHBondContact O-N 3.45Å; H221-H226 AromaticContact CE1-NE2 3.71Å; H221-H226 AromaticContact NE2-CD2 3.51Å; H221-H226 AromaticContact NE2-NE2 3.19Å; H221-H226 PolarHBondContact NE2-NE2 2.81Å; H221-H226 VanDerWaalsContact NE2-NE2 3.19Å
222	R	77.7	Confident	72.4	Confident	121 Å²	121	76.3 Å²	76.3	46%	0.457	38%	0.383	S	S	.	.	I	π-helix	trans	-60.1	-44.9	177.2	-73.5	-179.6	68.3	-164.7	0.3	111.9	L218 Q219 H226 A227	L218-R222 HydrophobicContact CD1-CG 4.07Å; L218-R222 HydrophobicContact CG-CG 4.47Å; L218-R222 WeakPolarHBondContact O-CG 3.32Å; L218-R222 PolarHBondContact O-N 3.5Å; Q219-R222 PolarHBondContact O-N 2.99Å; R222-H226 WeakPolarHBondContact O-CA 3.47Å; R222-H226 WeakPolarHBondContact O-CB 3.45Å; R222-H226 PolarHBondContact O-N 3.2Å; R222-A227 PolarHBondContact O-N 3.47Å
223	R	75.2	Confident	72.2	Confident	130 Å²	130	79.2 Å²	79.2	49%	0.491	40%	0.4	S	S	.	.	I	π-helix	trans	-62.5	-46.4	177.4	-69.9	179.2	-165.7	174.2	-1.2	112.1	Q219 K220 H221 E229	Q219-R223 WeakPolarHBondContact O-CG 3.48Å; Q219-R223 PolarHBondContact O-N 3.48Å; K220-R223 PolarHBondContact O-N 3.33Å; H221-R223 PolarHBondContact O-N 3.08Å; R223-E229 HydrophobicContact CB-CB 4.4Å; R223-E229 PolarHBondContact O-N 3.23Å; R223-E229 VanDerWaalsContact O-N 3.15Å
224	T	67.8	Low	72.3	Confident	31 Å²	31	73.4 Å²	73.4	19%	0.19	38%	0.379	C	S	.	.	I	π-helix	trans	-78.9	-34.7	-173.3	52.4	0	0	0	0	114.6	K220 H221 Q242	K220-T224 WeakPolarHBondContact O-CB 3.16Å; K220-T224 WeakPolarHBondContact O-CG2 3.39Å; K220-T224 PolarHBondContact O-N 3.4Å; K220-T224 PolarHBondContact O-OG1 2.87Å; H221-T224 PolarHBondContact O-N 2.87Å; H221-T224 PolarHBondContact O-OG1 3.36Å; T224-Q242 HydrophobicContact CG2-CB 4.5Å; T224-Q242 HydrophobicContact CG2-CG 4.05Å; T224-Q242 PolarHBondContact OG1-NE2 2.86Å
225	F	66.1	Low	72.2	Confident	137 Å²	137	74.7 Å²	74.7	60%	0.601	41%	0.408	S	S	*	.	I	π-helix	trans	-108.3	-21.7	-173.5	-71.8	-85.3	0	0	0	114.8	H221	H221-F225 AromaticContact ND1-CD2 3.45Å; H221-F225 WeakPolarHBondContact ND1-CD2 3.23Å; H221-F225 AromaticContact ND1-CG 4Å; H221-F225 WeakPolarHBondContact O-CB 3.31Å; H221-F225 PolarHBondContact O-N 3.45Å
226	H	75	Confident	71.9	Confident	67 Å²	67	76.6 Å²	76.6	31%	0.31	41%	0.413	S	S	.	.	I	π-helix	trans	-116.4	-39.9	-175.3	-66	-59.3	0	0	0	113.6	C205 L207 C208 H221 R222 G228	C205-H226 PolarHBondContact SG-CD2 2.8Å; C205-H226 PolarHBondContact SG-NE2 3.25Å; L207-H226 VanDerWaalsContact CB-CE1 3.4Å; L207-H226 WeakPolarHBondContact CB-CE1 3.32Å; L207-H226 HydrophobicContact CD1-CB 3.5Å; L207-H226 VanDerWaalsContact CD1-CG 3.45Å; C208-H226 PolarHBondContact SG-NE2 2.86Å; H221-H226 AromaticContact CE1-NE2 3.71Å; H221-H226 AromaticContact NE2-CD2 3.51Å; H221-H226 AromaticContact NE2-NE2 3.19Å; H221-H226 PolarHBondContact NE2-NE2 2.81Å; H221-H226 VanDerWaalsContact NE2-NE2 3.19Å; R222-H226 WeakPolarHBondContact O-CA 3.47Å; R222-H226 WeakPolarHBondContact O-CB 3.45Å; R222-H226 PolarHBondContact O-N 3.2Å; H226-G228 VanDerWaalsContact C-N 3.31Å
227	A	69.6	Low	71.5	Confident	67 Å²	67	76.6 Å²	76.6	55%	0.554	41%	0.412	S	S	*	.	S	Bend	trans	-83.3	-7.1	-179.4	0	0	0	0	0	113.4	R222 E229	R222-A227 PolarHBondContact O-N 3.47Å; A227-E229 HydrophobicContact CB-CB 4.45Å; A227-E229 PolarHBondContact O-N 3.07Å
228	G	60.7	Low	71.2	Confident	55 Å²	55	76.6 Å²	76.6	57%	0.567	43%	0.425	S	S	*	.			trans	62.2	13.3	-174.9	0	0	0	0	0	113.7	H226 I230	H226-G228 VanDerWaalsContact C-N 3.31Å; G228-I230 PolarHBondContact O-N 3.41Å
229	E	58.9	Low	70.8	Confident	125 Å²	125	79.6 Å²	79.6	58%	0.584	44%	0.44	S	S	*	.			trans	-75.5	69.1	174.4	-108.4	-176.2	174.1	0	0	108.3	R223 A227	R223-E229 HydrophobicContact CB-CB 4.4Å; R223-E229 PolarHBondContact O-N 3.23Å; R223-E229 VanDerWaalsContact O-N 3.15Å; A227-E229 HydrophobicContact CB-CB 4.45Å; A227-E229 PolarHBondContact O-N 3.07Å
230	I	58	Low	70.4	Confident	76 Å²	76	77.9 Å²	77.9	39%	0.39	44%	0.439	S	S	.	.			trans	-89.9	110.1	178.2	-46.1	169.5	0	0	0	107.6	G228 Y232 A240	G228-I230 PolarHBondContact O-N 3.41Å; I230-Y232 PolarHBondContact O-N 3.09Å; I230-A240 HydrophobicContact CB-CB 4.01Å; I230-A240 HydrophobicContact CD1-CB 3.86Å; I230-A240 HydrophobicContact CG2-CB 3.35Å
231	S	64.8	Low	70.3	Confident	69 Å²	69	73.7 Å²	73.7	48%	0.483	42%	0.421	S	S	.	.			trans	-87.1	3.8	-165.3	47.3	0	0	0	0	116.1
232	Y	68.1	Low	70	Confident	98 Å²	98	76.8 Å²	76.8	38%	0.384	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	98.7	177.2	-56.1	-78	0	0	0	113.4	I230 F241 H243 A244	I230-Y232 PolarHBondContact O-N 3.09Å; Y232-F241 PolarHBondContact O-N 3.25Å; Y232-H243 VanDerWaalsContact CD2-C 3.47Å; Y232-A244 HydrophobicContact CD1-CB 3.59Å; Y232-A244 HydrophobicContact CD2-CB 4.13Å; Y232-A244 HydrophobicContact CE1-CB 3.49Å; Y232-A244 VanDerWaalsContact CE1-CB 3.49Å; Y232-A244 HydrophobicContact CE2-CB 4.03Å; Y232-A244 HydrophobicContact CG-CB 3.93Å
233	N	69.9	Low	69.9	Low	99 Å²	99	76 Å²	76	53%	0.529	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	142.1	176.4	-64.4	29.2	0	0	0	110.7	G235	N233-G235 PolarHBondContact O-N 3.35Å
234	C	77	Confident	70.2	Confident	2 Å²	2	71.2 Å²	71.2	1%	0.014	42%	0.424	C	S	.	.			trans	-75.1	118.5	166.6	-175.1	0	0	0	0	109.5	I236 C237 G238 I239 F241 H255	C234-I236 PolarHBondContact O-N 3.23Å; C234-C237 VanDerWaalsContact CB-SG 3.57Å; C234-C237 VanDerWaalsContact SG-SG 3.69Å; C234-G238 VanDerWaalsContact O-CA 3.28Å; C234-G238 WeakPolarHBondContact O-CA 3.35Å; C234-G238 PolarHBondContact O-N 2.82Å; C234-I239 PolarHBondContact N-O 3.35Å; C234-F241 HydrophobicContact CB-CE2 4.29Å; C234-H255 PolarHBondContact SG-CD2 2.97Å; C234-H255 PolarHBondContact SG-NE2 3.37Å; C234-H255 VanDerWaalsContact SG-NE2 3.42Å
235	G	75.5	Confident	70.8	Confident	86 Å²	86	72.2 Å²	72.2	89%	0.887	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-6.4	178.4	0	0	0	0	0	115.5	N233	N233-G235 PolarHBondContact O-N 3.35Å
236	I	76.6	Confident	71.5	Confident	98 Å²	98	68.7 Å²	68.7	50%	0.503	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-47.4	-178.8	-56.1	170.4	0	0	0	111.4	C234 R251 H255	C234-I236 PolarHBondContact O-N 3.23Å; I236-R251 HydrophobicContact CD1-CG 4.43Å; I236-H255 HydrophobicContact CD1-CB 3.6Å; I236-H255 VanDerWaalsContact CG2-CE1 3.42Å; I236-H255 WeakPolarHBondContact CG2-CE1 3.41Å; I236-H255 WeakPolarHBondContact CG2-ND1 3.37Å
237	C	71.9	Confident	71.9	Confident	53 Å²	53	67.1 Å²	67.1	36%	0.358	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-3.5	-177.9	65.4	0	0	0	0	114.9	C234 I239 H250 H255	C234-C237 VanDerWaalsContact CB-SG 3.57Å; C234-C237 VanDerWaalsContact SG-SG 3.69Å; C237-I239 HydrophobicContact CB-CD1 4.5Å; C237-I239 HydrophobicContact CB-CG1 4.35Å; C237-I239 PolarHBondContact O-N 2.94Å; C237-I239 VanDerWaalsContact O-N 3.13Å; C237-I239 VanDerWaalsContact SG-CG1 3.54Å; C237-H250 PolarHBondContact SG-NE2 3.33Å; C237-H255 PolarHBondContact SG-NE2 2.86Å; C237-H255 VanDerWaalsContact SG-NE2 3.4Å
238	G	71.4	Confident	72.6	Confident	49 Å²	49	71.9 Å²	71.9	51%	0.505	42%	0.42	S	S	.	.			trans	72.2	-3.1	-178.9	0	0	0	0	0	115.3	C234 A240	C234-G238 VanDerWaalsContact O-CA 3.28Å; C234-G238 WeakPolarHBondContact O-CA 3.35Å; C234-G238 PolarHBondContact O-N 2.82Å; G238-A240 PolarHBondContact O-N 3.4Å
239	I	71.7	Confident	73.7	Confident	87 Å²	87	72.2 Å²	72.2	45%	0.446	41%	0.407	S	S	.	.			trans	-63.9	131.4	178.3	-59.6	174.6	0	0	0	109.3	C234 C237 F241	C234-I239 PolarHBondContact N-O 3.35Å; C237-I239 HydrophobicContact CB-CD1 4.5Å; C237-I239 HydrophobicContact CB-CG1 4.35Å; C237-I239 PolarHBondContact O-N 2.94Å; C237-I239 VanDerWaalsContact O-N 3.13Å; C237-I239 VanDerWaalsContact SG-CG1 3.54Å; I239-F241 HydrophobicContact CB-CE2 4Å; I239-F241 HydrophobicContact CB-CZ 4.16Å; I239-F241 HydrophobicContact CG2-CE1 4.3Å; I239-F241 HydrophobicContact CG2-CE2 3.74Å; I239-F241 HydrophobicContact CG2-CZ 3.59Å; I239-F241 WeakPolarHBondContact O-CD2 3.31Å; I239-F241 VanDerWaalsContact O-CE2 3.28Å; I239-F241 WeakPolarHBondContact O-CE2 3.42Å
240	A	72.7	Confident	74.7	Confident	39 Å²	39	67.3 Å²	67.3	32%	0.322	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	136.1	-174.9	0	0	0	0	0	110.9	I230 G238	I230-A240 HydrophobicContact CB-CB 4.01Å; I230-A240 HydrophobicContact CD1-CB 3.86Å; I230-A240 HydrophobicContact CG2-CB 3.35Å; G238-A240 PolarHBondContact O-N 3.4Å
241	F	72.1	Confident	75.9	Confident	39 Å²	39	70 Å²	70	17%	0.171	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	151.9	-174	-62	-92.3	0	0	0	111.7	Y232 C234 I239 D246 M247 H250	Y232-F241 PolarHBondContact O-N 3.25Å; C234-F241 HydrophobicContact CB-CE2 4.29Å; I239-F241 HydrophobicContact CB-CE2 4Å; I239-F241 HydrophobicContact CB-CZ 4.16Å; I239-F241 HydrophobicContact CG2-CE1 4.3Å; I239-F241 HydrophobicContact CG2-CE2 3.74Å; I239-F241 HydrophobicContact CG2-CZ 3.59Å; I239-F241 WeakPolarHBondContact O-CD2 3.31Å; I239-F241 VanDerWaalsContact O-CE2 3.28Å; I239-F241 WeakPolarHBondContact O-CE2 3.42Å; F241-D246 HydrophobicContact CB-CB 4.18Å; F241-D246 HydrophobicContact CD1-CB 3.86Å; F241-D246 HydrophobicContact CG-CB 4.33Å; F241-M247 HydrophobicContact CB-CB 3.95Å; F241-M247 HydrophobicContact CD2-CB 3.54Å; F241-M247 HydrophobicContact CD2-CG 3.84Å; F241-M247 HydrophobicContact CE2-CB 4.33Å; F241-M247 HydrophobicContact CE2-CG 4.37Å; F241-M247 HydrophobicContact CG-CB 3.87Å; F241-H250 HydrophobicContact CE1-CB 3.7Å; F241-H250 HydrophobicContact CE2-CB 3.86Å; F241-H250 AromaticContact CE2-CD2 3.59Å; F241-H250 AromaticContact CE2-CG 3.67Å; F241-H250 HydrophobicContact CZ-CB 3.27Å; F241-H250 AromaticContact CZ-CD2 3.54Å; F241-H250 AromaticContact CZ-CG 3.14Å; F241-H250 AromaticContact CZ-ND1 3.58Å
242	Q	69	Low	76.8	Confident	85 Å²	85	67.8 Å²	67.8	40%	0.397	38%	0.375	S	S	.	.	S	Bend	trans	-71.9	-34.9	177.7	-66.5	-172.6	-30.5	0	0	112.9	T224	T224-Q242 HydrophobicContact CG2-CB 4.5Å; T224-Q242 HydrophobicContact CG2-CG 4.05Å; T224-Q242 PolarHBondContact OG1-NE2 2.86Å
243	H	77	Confident	77.4	Confident	105 Å²	105	64.8 Å²	64.8	49%	0.486	37%	0.367	S	S	.	.	S	Bend	trans	-124.1	145.5	-179.5	-48.3	93.9	0	0	0	111.7	Y232 A245 D246 M247	Y232-H243 VanDerWaalsContact CD2-C 3.47Å; H243-A245 PolarHBondContact O-N 3.28Å; H243-D246 WeakPolarHBondContact CB-OD2 3.48Å; H243-D246 IonicContact CG-OD2 2.97Å; H243-D246 IonicContact ND1-OD2 3.1Å; H243-D246 PolarHBondContact ND1-OD2 3.24Å; H243-D246 PolarHBondContact O-N 3.07Å; H243-M247 PolarHBondContact O-N 2.74Å
244	A	79.6	Confident	77.8	Confident	28 Å²	28	64.2 Å²	64.2	23%	0.231	37%	0.367	C	S	.	.	H	α-helix	trans	-57.8	-30.2	174	0	0	0	0	0	112.8	Y232 R248	Y232-A244 HydrophobicContact CD1-CB 3.59Å; Y232-A244 HydrophobicContact CD2-CB 4.13Å; Y232-A244 HydrophobicContact CE1-CB 3.49Å; Y232-A244 VanDerWaalsContact CE1-CB 3.49Å; Y232-A244 HydrophobicContact CE2-CB 4.03Å; Y232-A244 HydrophobicContact CG-CB 3.93Å; A244-R248 WeakPolarHBondContact O-CB 3.29Å; A244-R248 VanDerWaalsContact O-CG 3.32Å; A244-R248 WeakPolarHBondContact O-CG 3.38Å; A244-R248 PolarHBondContact O-N 3.06Å; A244-R248 PolarHBondContact O-NE 3.35Å
245	A	81.2	Confident	77.9	Confident	53 Å²	53	66.9 Å²	66.9	44%	0.438	38%	0.379	S	S	.	.	H	α-helix	trans	-65.2	-42.8	176	0	0	0	0	0	111.6	H243 R248 Q249	H243-A245 PolarHBondContact O-N 3.28Å; A245-R248 PolarHBondContact O-N 3.36Å; A245-Q249 WeakPolarHBondContact O-CB 3.38Å; A245-Q249 PolarHBondContact O-N 2.77Å
246	D	80.8	Confident	78.2	Confident	63 Å²	63	66.6 Å²	66.6	34%	0.337	36%	0.357	S	S	.	.	H	α-helix	trans	-68.3	-42.7	-179.5	-55.8	-32.6	0	0	0	110.8	F241 H243 Q249 H250	F241-D246 HydrophobicContact CB-CB 4.18Å; F241-D246 HydrophobicContact CD1-CB 3.86Å; F241-D246 HydrophobicContact CG-CB 4.33Å; H243-D246 WeakPolarHBondContact CB-OD2 3.48Å; H243-D246 IonicContact CG-OD2 2.97Å; H243-D246 IonicContact ND1-OD2 3.1Å; H243-D246 PolarHBondContact ND1-OD2 3.24Å; H243-D246 PolarHBondContact O-N 3.07Å; D246-Q249 PolarHBondContact O-N 3.45Å; D246-H250 WeakPolarHBondContact O-CB 3.23Å; D246-H250 PolarHBondContact O-N 3.28Å
247	M	83.9	Confident	78.2	Confident	34 Å²	34	66 Å²	66	17%	0.167	36%	0.361	C	S	.	.	H	α-helix	trans	-62.7	-45.1	174.8	-179.4	-82.3	-67	0	0	112.1	F241 H243 Q249 H250 R251	F241-M247 HydrophobicContact CB-CB 3.95Å; F241-M247 HydrophobicContact CD2-CB 3.54Å; F241-M247 HydrophobicContact CD2-CG 3.84Å; F241-M247 HydrophobicContact CE2-CB 4.33Å; F241-M247 HydrophobicContact CE2-CG 4.37Å; F241-M247 HydrophobicContact CG-CB 3.87Å; H243-M247 PolarHBondContact O-N 2.74Å; M247-Q249 VanDerWaalsContact C-N 3.35Å; M247-Q249 PolarHBondContact O-N 2.88Å; M247-H250 WeakPolarHBondContact O-CB 3.48Å; M247-H250 PolarHBondContact O-N 3.38Å; M247-R251 PolarHBondContact O-N 3.12Å
248	R	84.1	Confident	78.3	Confident	167 Å²	167	68.4 Å²	68.4	63%	0.63	37%	0.368	S	S	*	.	H	α-helix	trans	-61.9	-43.6	176.7	-79.2	-173.4	-65.7	168.6	-0.6	111.6	A244 A245 R251 A252	A244-R248 WeakPolarHBondContact O-CB 3.29Å; A244-R248 VanDerWaalsContact O-CG 3.32Å; A244-R248 WeakPolarHBondContact O-CG 3.38Å; A244-R248 PolarHBondContact O-N 3.06Å; A244-R248 PolarHBondContact O-NE 3.35Å; A245-R248 PolarHBondContact O-N 3.36Å; R248-R251 PolarHBondContact O-N 3.33Å; R248-A252 WeakPolarHBondContact O-CB 3.41Å; R248-A252 PolarHBondContact O-N 3.38Å
249	Q	83.4	Confident	78.5	Confident	61 Å²	61	72.6 Å²	72.6	29%	0.285	37%	0.368	S	S	.	.	H	α-helix	trans	-64.3	-41.8	176.5	-179	168.5	46.5	0	0	111.9	A245 D246 M247 A252 T253 G271	A245-Q249 WeakPolarHBondContact O-CB 3.38Å; A245-Q249 PolarHBondContact O-N 2.77Å; D246-Q249 PolarHBondContact O-N 3.45Å; M247-Q249 VanDerWaalsContact C-N 3.35Å; M247-Q249 PolarHBondContact O-N 2.88Å; Q249-A252 PolarHBondContact O-N 3.33Å; Q249-T253 HydrophobicContact CG-CG2 4.18Å; Q249-T253 WeakPolarHBondContact O-CB 3.41Å; Q249-T253 VanDerWaalsContact O-CG2 3.24Å; Q249-T253 WeakPolarHBondContact O-CG2 3.46Å; Q249-T253 PolarHBondContact O-N 3.44Å; Q249-T253 PolarHBondContact O-OG1 3.31Å; Q249-G271 PolarHBondContact NE2-O 2.75Å; Q249-G271 VanDerWaalsContact NE2-O 3.15Å
250	H	81	Confident	78.9	Confident	23 Å²	23	73.1 Å²	73.1	11%	0.106	38%	0.377	C	S	.	.	H	α-helix	trans	-58.8	-48.3	173.6	165.1	80.1	0	0	0	111.3	C237 F241 D246 M247 A252 T253 V254 H255	C237-H250 PolarHBondContact SG-NE2 3.33Å; F241-H250 HydrophobicContact CE1-CB 3.7Å; F241-H250 HydrophobicContact CE2-CB 3.86Å; F241-H250 AromaticContact CE2-CD2 3.59Å; F241-H250 AromaticContact CE2-CG 3.67Å; F241-H250 HydrophobicContact CZ-CB 3.27Å; F241-H250 AromaticContact CZ-CD2 3.54Å; F241-H250 AromaticContact CZ-CG 3.14Å; F241-H250 AromaticContact CZ-ND1 3.58Å; D246-H250 WeakPolarHBondContact O-CB 3.23Å; D246-H250 PolarHBondContact O-N 3.28Å; M247-H250 WeakPolarHBondContact O-CB 3.48Å; M247-H250 PolarHBondContact O-N 3.38Å; H250-A252 PolarHBondContact O-N 2.85Å; H250-T253 PolarHBondContact O-N 3.25Å; H250-T253 PolarHBondContact O-OG1 2.76Å; H250-V254 VanDerWaalsContact O-CB 3.26Å; H250-V254 WeakPolarHBondContact O-CB 3.39Å; H250-V254 WeakPolarHBondContact O-CG2 3.39Å; H250-V254 PolarHBondContact O-N 2.94Å; H250-H255 AromaticContact NE2-CD2 3.77Å; H250-H255 AromaticContact NE2-NE2 3.36Å; H250-H255 PolarHBondContact NE2-NE2 3.12Å
251	R	82.8	Confident	79.2	Confident	133 Å²	133	74.4 Å²	74.4	50%	0.502	38%	0.376	S	S	.	.	I	π-helix	trans	-59.8	-47.5	178	-172.9	178.3	-179.7	-179.9	0.4	111.9	I236 M247 R248 T253 H255 N256	I236-R251 HydrophobicContact CD1-CG 4.43Å; M247-R251 PolarHBondContact O-N 3.12Å; R248-R251 PolarHBondContact O-N 3.33Å; R251-T253 PolarHBondContact O-N 2.86Å; R251-H255 HydrophobicContact CG-CB 4.49Å; R251-H255 WeakPolarHBondContact O-CB 3.34Å; R251-H255 PolarHBondContact O-N 3.36Å; R251-N256 PolarHBondContact O-N 2.99Å
252	A	82.3	Confident	79.3	Confident	22 Å²	22	78.1 Å²	78.1	18%	0.182	40%	0.396	C	S	.	.	I	π-helix	trans	-58.3	-49.2	177.4	0	0	0	0	0	111.3	R248 Q249 H250 N256 S257 E258	R248-A252 WeakPolarHBondContact O-CB 3.41Å; R248-A252 PolarHBondContact O-N 3.38Å; Q249-A252 PolarHBondContact O-N 3.33Å; H250-A252 PolarHBondContact O-N 2.85Å; A252-N256 CarbonylContact O-C 3.59Å; A252-N256 WeakPolarHBondContact O-CB 3.46Å; A252-N256 PolarHBondContact O-N 2.85Å; A252-S257 PolarHBondContact O-N 2.99Å; A252-S257 VanDerWaalsContact O-N 3.09Å; A252-E258 HydrophobicContact CB-CB 4.16Å; A252-E258 WeakPolarHBondContact O-CB 3.43Å; A252-E258 PolarHBondContact O-N 2.92Å
253	T	81.9	Confident	80	Confident	35 Å²	35	74.1 Å²	74.1	22%	0.215	38%	0.377	C	S	.	.	I	π-helix	trans	-84.5	-29.9	-169.6	58.4	0	0	0	0	114.9	Q249 H250 R251	Q249-T253 HydrophobicContact CG-CG2 4.18Å; Q249-T253 WeakPolarHBondContact O-CB 3.41Å; Q249-T253 VanDerWaalsContact O-CG2 3.24Å; Q249-T253 WeakPolarHBondContact O-CG2 3.46Å; Q249-T253 PolarHBondContact O-N 3.44Å; Q249-T253 PolarHBondContact O-OG1 3.31Å; H250-T253 PolarHBondContact O-N 3.25Å; H250-T253 PolarHBondContact O-OG1 2.76Å; R251-T253 PolarHBondContact O-N 2.86Å
254	V	77.8	Confident	80.4	Confident	86 Å²	86	74.8 Å²	74.8	52%	0.521	38%	0.384	S	S	.	.	I	π-helix	trans	-99.6	-39.9	-175.7	-179.9	0	0	0	0	111.9	H250	H250-V254 VanDerWaalsContact O-CB 3.26Å; H250-V254 WeakPolarHBondContact O-CB 3.39Å; H250-V254 WeakPolarHBondContact O-CG2 3.39Å; H250-V254 PolarHBondContact O-N 2.94Å
255	H	80.4	Confident	80.5	Confident	58 Å²	58	78.7 Å²	78.7	27%	0.269	40%	0.4	S	S	.	.	I	π-helix	trans	-98	-44.3	-175.8	-64.3	-57.3	0	0	0	112.5	C234 I236 C237 H250 R251	C234-H255 PolarHBondContact SG-CD2 2.97Å; C234-H255 PolarHBondContact SG-NE2 3.37Å; C234-H255 VanDerWaalsContact SG-NE2 3.42Å; I236-H255 HydrophobicContact CD1-CB 3.6Å; I236-H255 VanDerWaalsContact CG2-CE1 3.42Å; I236-H255 WeakPolarHBondContact CG2-CE1 3.41Å; I236-H255 WeakPolarHBondContact CG2-ND1 3.37Å; C237-H255 PolarHBondContact SG-NE2 2.86Å; C237-H255 VanDerWaalsContact SG-NE2 3.4Å; H250-H255 AromaticContact NE2-CD2 3.77Å; H250-H255 AromaticContact NE2-NE2 3.36Å; H250-H255 PolarHBondContact NE2-NE2 3.12Å; R251-H255 HydrophobicContact CG-CB 4.49Å; R251-H255 WeakPolarHBondContact O-CB 3.34Å; R251-H255 PolarHBondContact O-N 3.36Å
256	N	80.5	Confident	80.4	Confident	81 Å²	81	78.7 Å²	78.7	43%	0.433	40%	0.397	S	S	.	.	S	Bend	trans	-88.4	-6.8	179.4	-61.6	7.9	0	0	0	112.9	R251 A252 E258	R251-N256 PolarHBondContact O-N 2.99Å; A252-N256 CarbonylContact O-C 3.59Å; A252-N256 WeakPolarHBondContact O-CB 3.46Å; A252-N256 PolarHBondContact O-N 2.85Å; N256-E258 HydrophobicContact CB-CB 4.49Å; N256-E258 HydrophobicContact CB-CG 3.82Å; N256-E258 WeakPolarHBondContact CB-OE1 3.43Å; N256-E258 PolarHBondContact ND2-OE1 3.23Å; N256-E258 PolarHBondContact O-N 2.81Å
257	S	77.4	Confident	80.3	Confident	84 Å²	84	77.7 Å²	77.7	59%	0.587	40%	0.401	S	S	*	.			trans	53.3	21.7	-172.5	-60.7	0	0	0	0	114.4	A252 R259	A252-S257 PolarHBondContact O-N 2.99Å; A252-S257 VanDerWaalsContact O-N 3.09Å; S257-R259 PolarHBondContact O-N 3.36Å
258	E	74.5	Confident	79.9	Confident	104 Å²	104	82 Å²	82	49%	0.486	42%	0.419	S	S	.	.			trans	-70.2	115.2	176.7	-71.6	171.6	-144	0	0	109.5	A252 N256 P260	A252-E258 HydrophobicContact CB-CB 4.16Å; A252-E258 WeakPolarHBondContact O-CB 3.43Å; A252-E258 PolarHBondContact O-N 2.92Å; N256-E258 HydrophobicContact CB-CB 4.49Å; N256-E258 HydrophobicContact CB-CG 3.82Å; N256-E258 WeakPolarHBondContact CB-OE1 3.43Å; N256-E258 PolarHBondContact ND2-OE1 3.23Å; N256-E258 PolarHBondContact O-N 2.81Å; E258-P260 WeakPolarHBondContact O-CD 3.3Å
259	R	75.6	Confident	79.6	Confident	138 Å²	138	76.3 Å²	76.3	52%	0.521	40%	0.404	S	S	.	.			trans	-123.9	73.3	179.1	-66.7	174.6	108.5	112.1	1	108.9	S257 H261 C269 F270	S257-R259 PolarHBondContact O-N 3.36Å; R259-H261 PolarHBondContact O-N 3.24Å; R259-C269 HydrophobicContact CB-CB 3.61Å; R259-C269 WeakPolarHBondContact CD-O 3.32Å; R259-C269 PolarHBondContact NE-O 3.18Å; R259-F270 CarbonylContact C-O 3.5Å; R259-F270 WeakPolarHBondContact CA-O 3.47Å
260	P	78.4	Confident	79.3	Confident	98 Å²	98	75.1 Å²	75.1	64%	0.636	40%	0.398	S	S	*	.			trans	-66.5	-11.4	-167.5	25.7	-34.5	0	0	0	114.3	E258	E258-P260 WeakPolarHBondContact O-CD 3.3Å
261	H	80.2	Confident	79.1	Confident	65 Å²	65	74.8 Å²	74.8	30%	0.301	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	92.8	-176.2	-56.2	-68.7	0	0	0	110.7	R259 F270 A273 L276	R259-H261 PolarHBondContact O-N 3.24Å; H261-F270 HydrophobicContact CB-CB 4.36Å; H261-F270 WeakPolarHBondContact CB-O 3.38Å; H261-F270 PolarHBondContact N-O 3.45Å; H261-F270 VanDerWaalsContact N-O 3.12Å; H261-F270 PolarHBondContact O-N 3.46Å; H261-A273 PolarHBondContact CD2-N 3.08Å; H261-A273 PolarHBondContact NE2-N 2.66Å; H261-L276 HydrophobicContact CB-CB 4.05Å; H261-L276 HydrophobicContact CB-CD2 3.85Å
262	M	74.6	Confident	79	Confident	118 Å²	118	71.4 Å²	71.4	58%	0.581	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	140.6	176.8	-171.3	-176.7	-67.2	0	0	111.7	L276	M262-L276 WeakPolarHBondContact O-CD2 3.4Å
263	C	82.2	Confident	79	Confident	1 Å²	1	73 Å²	73	1%	0.007	40%	0.404	C	S	.	.			trans	-78.6	119.7	166.8	-167.9	0	0	0	0	109.8	I265 G267 K268 F270 L276 H284	C263-I265 VanDerWaalsContact C-N 3.27Å; C263-I265 PolarHBondContact O-N 3.04Å; C263-G267 WeakPolarHBondContact O-CA 3.15Å; C263-G267 PolarHBondContact O-N 3.2Å; C263-K268 PolarHBondContact N-O 3.46Å; C263-F270 HydrophobicContact CB-CE2 4.48Å; C263-L276 HydrophobicContact CB-CD1 3.6Å; C263-H284 PolarHBondContact SG-NE2 2.91Å; C263-H284 VanDerWaalsContact SG-NE2 3.45Å
264	D	85.6	Confident	79	Confident	118 Å²	118	74.3 Å²	74.3	63%	0.631	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-33	172.2	48.7	-0.7	0	0	0	113.7	K280	D264-K280 WeakPolarHBondContact OD1-CE 3.46Å; D264-K280 IonicContact OD1-NZ 2.74Å; D264-K280 PolarHBondContact OD1-NZ 3.15Å; D264-K280 IonicContact OD2-NZ 2.76Å; D264-K280 PolarHBondContact OD2-NZ 2.82Å
265	I	81.9	Confident	79.4	Confident	110 Å²	110	75.1 Å²	75.1	56%	0.564	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-36.4	-176.9	-57.6	164.7	0	0	0	113.3	C263 H284	C263-I265 VanDerWaalsContact C-N 3.27Å; C263-I265 PolarHBondContact O-N 3.04Å; I265-H284 HydrophobicContact CD1-CB 3.67Å; I265-H284 WeakPolarHBondContact CG2-CE1 3.25Å; I265-H284 WeakPolarHBondContact CG2-ND1 3.36Å
266	C	80.1	Confident	79.6	Confident	54 Å²	54	73.5 Å²	73.5	37%	0.365	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	5.2	-174.1	71.2	0	0	0	0	115.4	K268 H279 H284	C266-K268 PolarHBondContact O-N 2.98Å; C266-H279 PolarHBondContact SG-NE2 3.06Å; C266-H284 PolarHBondContact SG-NE2 3.38Å
267	G	78.4	Confident	79.9	Confident	41 Å²	41	75.2 Å²	75.2	42%	0.423	41%	0.409	S	S	.	.			trans	70	-3.7	179.9	0	0	0	0	0	115.6	C263 C269	C263-G267 WeakPolarHBondContact O-CA 3.15Å; C263-G267 PolarHBondContact O-N 3.2Å; G267-C269 PolarHBondContact O-N 3.22Å; G267-C269 PolarHBondContact O-SG 3.36Å
268	K	75.5	Confident	80.2	Confident	125 Å²	125	75.1 Å²	75.1	54%	0.543	40%	0.399	S	S	.	.			trans	-65.7	129.4	-177.7	-73	-179.7	-178.9	173.5	0	111.6	C263 C266 F270	C263-K268 PolarHBondContact N-O 3.46Å; C266-K268 PolarHBondContact O-N 2.98Å; K268-F270 HydrophobicContact CB-CE2 3.84Å; K268-F270 HydrophobicContact CB-CZ 4.07Å; K268-F270 WeakPolarHBondContact O-CD2 3.25Å; K268-F270 VanDerWaalsContact O-CE2 3.3Å; K268-F270 WeakPolarHBondContact O-CE2 3.32Å
269	C	77.9	Confident	80.7	Confident	47 Å²	47	71.1 Å²	71.1	32%	0.318	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	136.1	-177.3	-63.6	0	0	0	0	112.6	R259 G267	R259-C269 HydrophobicContact CB-CB 3.61Å; R259-C269 WeakPolarHBondContact CD-O 3.32Å; R259-C269 PolarHBondContact NE-O 3.18Å; G267-C269 PolarHBondContact O-N 3.22Å; G267-C269 PolarHBondContact O-SG 3.36Å
270	F	76.4	Confident	81.2	Confident	37 Å²	37	67 Å²	67	16%	0.162	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145.1	-178	-60.7	-89.5	0	0	0	111.8	R259 H261 C263 K268 Q272 K275 L276 H279	R259-F270 CarbonylContact C-O 3.5Å; R259-F270 WeakPolarHBondContact CA-O 3.47Å; H261-F270 HydrophobicContact CB-CB 4.36Å; H261-F270 WeakPolarHBondContact CB-O 3.38Å; H261-F270 PolarHBondContact N-O 3.45Å; H261-F270 VanDerWaalsContact N-O 3.12Å; H261-F270 PolarHBondContact O-N 3.46Å; C263-F270 HydrophobicContact CB-CE2 4.48Å; K268-F270 HydrophobicContact CB-CE2 3.84Å; K268-F270 HydrophobicContact CB-CZ 4.07Å; K268-F270 WeakPolarHBondContact O-CD2 3.25Å; K268-F270 VanDerWaalsContact O-CE2 3.3Å; K268-F270 WeakPolarHBondContact O-CE2 3.32Å; F270-Q272 VanDerWaalsContact C-N 3.31Å; F270-Q272 PolarHBondContact O-N 2.95Å; F270-K275 HydrophobicContact CB-CB 4.27Å; F270-K275 HydrophobicContact CD1-CB 3.97Å; F270-K275 HydrophobicContact CG-CB 4.41Å; F270-L276 HydrophobicContact CB-CB 4.21Å; F270-L276 HydrophobicContact CD2-CB 3.9Å; F270-L276 HydrophobicContact CD2-CD1 3.69Å; F270-L276 HydrophobicContact CD2-CG 4.4Å; F270-L276 HydrophobicContact CE2-CD1 3.89Å; F270-L276 HydrophobicContact CG-CB 4.21Å; F270-H279 HydrophobicContact CE1-CB 3.9Å; F270-H279 HydrophobicContact CE2-CB 3.85Å; F270-H279 AromaticContact CE2-CD2 3.41Å; F270-H279 VanDerWaalsContact CE2-CD2 3.41Å; F270-H279 WeakPolarHBondContact CE2-CD2 3.24Å; F270-H279 AromaticContact CE2-CG 3.62Å; F270-H279 HydrophobicContact CZ-CB 3.4Å; F270-H279 AromaticContact CZ-CD2 3.47Å; F270-H279 VanDerWaalsContact CZ-CD2 3.47Å; F270-H279 WeakPolarHBondContact CZ-CD2 3.48Å; F270-H279 AromaticContact CZ-CG 3.2Å; F270-H279 AromaticContact CZ-ND1 3.7Å
271	G	76.5	Confident	81.7	Confident	15 Å²	15	63.1 Å²	63.1	16%	0.155	34%	0.341	C	S	.	.	S	Bend	trans	-77.7	-10.8	177.4	0	0	0	0	0	115.4	Q249	Q249-G271 PolarHBondContact NE2-O 2.75Å; Q249-G271 VanDerWaalsContact NE2-O 3.15Å
272	Q	81.9	Confident	81.9	Confident	63 Å²	63	61 Å²	61	29%	0.294	34%	0.335	S	S	.	.	S	Bend	trans	-141.4	141	178.2	-26	-171.3	-62.1	0	0	110.5	F270 S274 K275 L276	F270-Q272 VanDerWaalsContact C-N 3.31Å; F270-Q272 PolarHBondContact O-N 2.95Å; Q272-S274 VanDerWaalsContact C-N 3.27Å; Q272-S274 PolarHBondContact O-N 3.11Å; Q272-K275 HydrophobicContact CB-CG 4.13Å; Q272-K275 HydrophobicContact CG-CG 4.08Å; Q272-K275 PolarHBondContact O-N 3.01Å; Q272-K275 VanDerWaalsContact O-N 3.12Å; Q272-L276 PolarHBondContact O-N 3.03Å
273	A	81.6	Confident	82.4	Confident	56 Å²	56	59.6 Å²	59.6	46%	0.463	33%	0.333	S	S	.	.	H	α-helix	trans	-59.2	-36.1	177.7	0	0	0	0	0	112.9	H261 K275 L276 H277	H261-A273 PolarHBondContact CD2-N 3.08Å; H261-A273 PolarHBondContact NE2-N 2.66Å; A273-K275 VanDerWaalsContact C-N 3.32Å; A273-K275 PolarHBondContact O-N 3.29Å; A273-L276 PolarHBondContact O-N 3.38Å; A273-H277 PolarHBondContact O-N 3.11Å
274	S	82.5	Confident	82.5	Confident	62 Å²	62	62.6 Å²	62.6	43%	0.434	35%	0.347	S	S	.	.	H	α-helix	trans	-62.2	-37.6	176.5	56.7	0	0	0	0	112.4	Q272 H277 H278	Q272-S274 VanDerWaalsContact C-N 3.27Å; Q272-S274 PolarHBondContact O-N 3.11Å; S274-H277 PolarHBondContact O-N 3.28Å; S274-H278 WeakPolarHBondContact O-CB 3.46Å; S274-H278 PolarHBondContact O-CD2 2.72Å; S274-H278 PolarHBondContact O-N 2.73Å
275	K	84.3	Confident	82.5	Confident	103 Å²	103	61.6 Å²	61.6	45%	0.448	34%	0.338	S	S	.	.	H	α-helix	trans	-69.9	-38.3	176.9	-61.3	-61.5	-176.4	-176.5	0	111.8	F270 Q272 A273 H279	F270-K275 HydrophobicContact CB-CB 4.27Å; F270-K275 HydrophobicContact CD1-CB 3.97Å; F270-K275 HydrophobicContact CG-CB 4.41Å; Q272-K275 HydrophobicContact CB-CG 4.13Å; Q272-K275 HydrophobicContact CG-CG 4.08Å; Q272-K275 PolarHBondContact O-N 3.01Å; Q272-K275 VanDerWaalsContact O-N 3.12Å; A273-K275 VanDerWaalsContact C-N 3.32Å; A273-K275 PolarHBondContact O-N 3.29Å; K275-H279 VanDerWaalsContact O-CB 3.29Å; K275-H279 WeakPolarHBondContact O-CB 3.37Å; K275-H279 PolarHBondContact O-N 3.13Å
276	L	86.2	Confident	82.3	Confident	23 Å²	23	58.5 Å²	58.5	12%	0.12	33%	0.333	C	S	.	.	H	α-helix	trans	-63.5	-46.7	172	173.1	62.3	0	0	0	111.2	H261 M262 C263 F270 Q272 A273 H278 H279 K280	H261-L276 HydrophobicContact CB-CB 4.05Å; H261-L276 HydrophobicContact CB-CD2 3.85Å; M262-L276 WeakPolarHBondContact O-CD2 3.4Å; C263-L276 HydrophobicContact CB-CD1 3.6Å; F270-L276 HydrophobicContact CB-CB 4.21Å; F270-L276 HydrophobicContact CD2-CB 3.9Å; F270-L276 HydrophobicContact CD2-CD1 3.69Å; F270-L276 HydrophobicContact CD2-CG 4.4Å; F270-L276 HydrophobicContact CE2-CD1 3.89Å; F270-L276 HydrophobicContact CG-CB 4.21Å; Q272-L276 PolarHBondContact O-N 3.03Å; A273-L276 PolarHBondContact O-N 3.38Å; L276-H278 PolarHBondContact O-N 3.42Å; L276-H279 WeakPolarHBondContact O-CB 3.32Å; L276-H279 PolarHBondContact O-N 3.15Å; L276-H279 VanDerWaalsContact O-N 3.12Å; L276-K280 HydrophobicContact CD1-CD 4.48Å; L276-K280 HydrophobicContact CD1-CG 4.18Å; L276-K280 PolarHBondContact O-N 3.33Å
277	H	85.6	Confident	82.3	Confident	118 Å²	118	61.6 Å²	61.6	55%	0.546	34%	0.34	S	S	.	.	H	α-helix	trans	-59.5	-46.8	177.9	-179.6	70	0	0	0	111.5	A273 S274 H279 K280 S281	A273-H277 PolarHBondContact O-N 3.11Å; S274-H277 PolarHBondContact O-N 3.28Å; H277-H279 VanDerWaalsContact C-N 3.29Å; H277-H279 PolarHBondContact O-N 3.25Å; H277-K280 PolarHBondContact O-N 3.16Å; H277-S281 WeakPolarHBondContact O-CB 3.42Å; H277-S281 PolarHBondContact O-N 3.14Å; H277-S281 PolarHBondContact O-OG 2.8Å
278	H	84.7	Confident	82.5	Confident	81 Å²	81	65.4 Å²	65.4	38%	0.375	34%	0.342	S	S	.	.	H	α-helix	trans	-63.1	-34.4	174.5	-73.6	-49.7	0	0	0	113.3	S274 L276 S281 A282	S274-H278 WeakPolarHBondContact O-CB 3.46Å; S274-H278 PolarHBondContact O-CD2 2.72Å; S274-H278 PolarHBondContact O-N 2.73Å; L276-H278 PolarHBondContact O-N 3.42Å; H278-S281 WeakPolarHBondContact CA-OG 3.46Å; H278-S281 PolarHBondContact O-OG 3.3Å; H278-S281 VanDerWaalsContact O-OG 3.12Å; H278-A282 WeakPolarHBondContact O-CB 3.48Å; H278-A282 PolarHBondContact O-N 3.2Å
279	H	85	Confident	82.9	Confident	20 Å²	20	63.6 Å²	63.6	9%	0.093	34%	0.343	C	S	.	.	H	α-helix	trans	-65.6	-48.7	174.7	168.1	66.4	0	0	0	111.3	C266 F270 K275 L276 H277 A282 V283 H284	C266-H279 PolarHBondContact SG-NE2 3.06Å; F270-H279 HydrophobicContact CE1-CB 3.9Å; F270-H279 HydrophobicContact CE2-CB 3.85Å; F270-H279 AromaticContact CE2-CD2 3.41Å; F270-H279 VanDerWaalsContact CE2-CD2 3.41Å; F270-H279 WeakPolarHBondContact CE2-CD2 3.24Å; F270-H279 AromaticContact CE2-CG 3.62Å; F270-H279 HydrophobicContact CZ-CB 3.4Å; F270-H279 AromaticContact CZ-CD2 3.47Å; F270-H279 VanDerWaalsContact CZ-CD2 3.47Å; F270-H279 WeakPolarHBondContact CZ-CD2 3.48Å; F270-H279 AromaticContact CZ-CG 3.2Å; F270-H279 AromaticContact CZ-ND1 3.7Å; K275-H279 VanDerWaalsContact O-CB 3.29Å; K275-H279 WeakPolarHBondContact O-CB 3.37Å; K275-H279 PolarHBondContact O-N 3.13Å; L276-H279 WeakPolarHBondContact O-CB 3.32Å; L276-H279 PolarHBondContact O-N 3.15Å; L276-H279 VanDerWaalsContact O-N 3.12Å; H277-H279 VanDerWaalsContact C-N 3.29Å; H277-H279 PolarHBondContact O-N 3.25Å; H279-A282 PolarHBondContact O-N 3.28Å; H279-V283 WeakPolarHBondContact ND1-CG2 3.48Å; H279-V283 WeakPolarHBondContact O-CB 3.28Å; H279-V283 WeakPolarHBondContact O-CG2 3.06Å; H279-V283 PolarHBondContact O-N 3.14Å; H279-H284 AromaticContact NE2-NE2 3.53Å
280	K	86.2	Confident	83.3	Confident	52 Å²	52	64.2 Å²	64.2	23%	0.226	34%	0.341	C	S	.	.	I	π-helix	trans	-57.6	-50.2	175.7	-74.2	-172.9	170	-159.2	0	111.4	D264 L276 H277 A282 H284 E285	D264-K280 WeakPolarHBondContact OD1-CE 3.46Å; D264-K280 IonicContact OD1-NZ 2.74Å; D264-K280 PolarHBondContact OD1-NZ 3.15Å; D264-K280 IonicContact OD2-NZ 2.76Å; D264-K280 PolarHBondContact OD2-NZ 2.82Å; L276-K280 HydrophobicContact CD1-CD 4.48Å; L276-K280 HydrophobicContact CD1-CG 4.18Å; L276-K280 PolarHBondContact O-N 3.33Å; H277-K280 PolarHBondContact O-N 3.16Å; K280-A282 VanDerWaalsContact C-N 3.33Å; K280-A282 PolarHBondContact O-N 3.37Å; K280-H284 WeakPolarHBondContact O-CB 3.19Å; K280-H284 PolarHBondContact O-N 3.2Å; K280-E285 PolarHBondContact O-N 3.24Å
281	S	87.3	Confident	83.8	Confident	16 Å²	16	66.8 Å²	66.8	11%	0.112	36%	0.356	C	S	.	.	I	π-helix	trans	-62.4	-39.9	-179.9	75.3	0	0	0	0	112.1	H277 H278 G286 K287	H277-S281 WeakPolarHBondContact O-CB 3.42Å; H277-S281 PolarHBondContact O-N 3.14Å; H277-S281 PolarHBondContact O-OG 2.8Å; H278-S281 WeakPolarHBondContact CA-OG 3.46Å; H278-S281 PolarHBondContact O-OG 3.3Å; H278-S281 VanDerWaalsContact O-OG 3.12Å; S281-G286 PolarHBondContact O-N 3.22Å; S281-K287 WeakPolarHBondContact O-CB 3.4Å; S281-K287 PolarHBondContact O-N 3.28Å
282	A	85.6	Confident	84.4	Confident	22 Å²	22	66 Å²	66	18%	0.182	35%	0.349	C	S	.	.	I	π-helix	trans	-79.7	-39.6	-175.7	0	0	0	0	0	114.3	H278 H279 K280 T300	H278-A282 WeakPolarHBondContact O-CB 3.48Å; H278-A282 PolarHBondContact O-N 3.2Å; H279-A282 PolarHBondContact O-N 3.28Å; K280-A282 VanDerWaalsContact C-N 3.33Å; K280-A282 PolarHBondContact O-N 3.37Å; A282-T300 HydrophobicContact CB-CG2 3.56Å
283	V	84.6	Confident	84.8	Confident	88 Å²	88	68.5 Å²	68.5	53%	0.533	36%	0.364	S	S	.	.	I	π-helix	trans	-100.4	-39.7	-168.7	-179.7	0	0	0	0	111.8	H279	H279-V283 WeakPolarHBondContact ND1-CG2 3.48Å; H279-V283 WeakPolarHBondContact O-CB 3.28Å; H279-V283 WeakPolarHBondContact O-CG2 3.06Å; H279-V283 PolarHBondContact O-N 3.14Å
284	H	84.8	Confident	85	Confident	63 Å²	63	71 Å²	71	29%	0.292	37%	0.368	S	S	.	.	I	π-helix	trans	-97.8	-41.9	-174.9	-62.6	-55.8	0	0	0	112.2	C263 I265 C266 H279 K280	C263-H284 PolarHBondContact SG-NE2 2.91Å; C263-H284 VanDerWaalsContact SG-NE2 3.45Å; I265-H284 HydrophobicContact CD1-CB 3.67Å; I265-H284 WeakPolarHBondContact CG2-CE1 3.25Å; I265-H284 WeakPolarHBondContact CG2-ND1 3.36Å; C266-H284 PolarHBondContact SG-NE2 3.38Å; H279-H284 AromaticContact NE2-NE2 3.53Å; K280-H284 WeakPolarHBondContact O-CB 3.19Å; K280-H284 PolarHBondContact O-N 3.2Å
285	E	85.2	Confident	85.2	Confident	98 Å²	98	71.2 Å²	71.2	46%	0.458	37%	0.369	S	S	.	.	S	Bend	trans	-88.6	-10.6	178.8	-55.5	175	-179.4	0	0	113	K280 K287	K280-E285 PolarHBondContact O-N 3.24Å; E285-K287 HydrophobicContact CB-CD 4.28Å; E285-K287 HydrophobicContact CB-CG 3.9Å; E285-K287 PolarHBondContact O-N 3.48Å; E285-K287 VanDerWaalsContact O-N 3.07Å; E285-K287 WeakPolarHBondContact OE2-CD 3.13Å; E285-K287 WeakPolarHBondContact OE2-CE 3.38Å; E285-K287 IonicContact OE2-NZ 2.72Å; E285-K287 PolarHBondContact OE2-NZ 2.88Å
286	G	78.9	Confident	85.3	Confident	44 Å²	44	68.3 Å²	68.3	45%	0.454	37%	0.369	S	S	.	.			trans	62.9	12.9	-176.9	0	0	0	0	0	114.8	S281 R288	S281-G286 PolarHBondContact O-N 3.22Å; G286-R288 PolarHBondContact O-N 2.88Å
287	K	80	Confident	85.2	Confident	119 Å²	119	68.8 Å²	68.8	52%	0.517	38%	0.376	S	S	.	.			trans	-66.4	107.1	-177.1	-69.1	-174.7	-175	154.9	0	110.7	S281 E285 P289	S281-K287 WeakPolarHBondContact O-CB 3.4Å; S281-K287 PolarHBondContact O-N 3.28Å; E285-K287 HydrophobicContact CB-CD 4.28Å; E285-K287 HydrophobicContact CB-CG 3.9Å; E285-K287 PolarHBondContact O-N 3.48Å; E285-K287 VanDerWaalsContact O-N 3.07Å; E285-K287 WeakPolarHBondContact OE2-CD 3.13Å; E285-K287 WeakPolarHBondContact OE2-CE 3.38Å; E285-K287 IonicContact OE2-NZ 2.72Å; E285-K287 PolarHBondContact OE2-NZ 2.88Å; K287-P289 VanDerWaalsContact C-CD 3.47Å; K287-P289 WeakPolarHBondContact O-CD 3.47Å
288	R	82	Confident	85.3	Confident	122 Å²	122	69.9 Å²	69.9	46%	0.46	38%	0.375	S	S	.	.			trans	-116.1	78.8	171	-63.4	176.7	118.2	98.2	-3.5	109	G286 H290 R298 F299 T300	G286-R288 PolarHBondContact O-N 2.88Å; R288-H290 PolarHBondContact O-N 3.02Å; R288-R298 HydrophobicContact CB-CB 3.66Å; R288-R298 WeakPolarHBondContact CD-O 3.49Å; R288-R298 HydrophobicContact CG-CB 4.49Å; R288-R298 PolarHBondContact NE-O 3.34Å; R288-R298 PolarHBondContact O-NE 2.88Å; R288-R298 VanDerWaalsContact O-NE 3.12Å; R288-R298 PolarHBondContact O-NH2 3.05Å; R288-R298 VanDerWaalsContact O-NH2 3.14Å; R288-F299 CarbonylContact C-O 3.2Å; R288-F299 VanDerWaalsContact C-O 3.3Å; R288-F299 VanDerWaalsContact CA-O 3.29Å; R288-F299 WeakPolarHBondContact CA-O 3.48Å; R288-T300 HydrophobicContact CG-CG2 3.84Å
289	P	84	Confident	85.3	Confident	87 Å²	87	67.9 Å²	67.9	57%	0.565	37%	0.365	S	S	*	.			trans	-71.9	-15.8	-172.4	27.5	-34	0	0	0	113.4	K287	K287-P289 VanDerWaalsContact C-CD 3.47Å; K287-P289 WeakPolarHBondContact O-CD 3.47Å
290	H	87.1	Confident	85.3	Confident	59 Å²	59	68.5 Å²	68.5	27%	0.273	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	100.7	-174.5	-59.2	-66.5	0	0	0	111	R288 F299 Q301 S302 L305	R288-H290 PolarHBondContact O-N 3.02Å; H290-F299 HydrophobicContact CB-CB 4.2Å; H290-F299 PolarHBondContact N-O 3.26Å; H290-F299 VanDerWaalsContact N-O 3.16Å; H290-F299 PolarHBondContact O-N 3.23Å; H290-Q301 VanDerWaalsContact CD2-CA 3.48Å; H290-Q301 WeakPolarHBondContact CD2-CA 3.32Å; H290-S302 PolarHBondContact CD2-N 3.28Å; H290-S302 PolarHBondContact NE2-N 3.46Å; H290-S302 VanDerWaalsContact NE2-N 3.17Å; H290-L305 HydrophobicContact CB-CB 4.09Å; H290-L305 HydrophobicContact CB-CD2 3.9Å
291	L	85.9	Confident	85.2	Confident	91 Å²	91	68.8 Å²	68.8	48%	0.476	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	136.9	176.8	-175.6	71.4	0	0	0	110.9	G296 R298 L305	L291-G296 VanDerWaalsContact CD1-O 3.28Å; L291-G296 WeakPolarHBondContact CD1-O 3.18Å; L291-R298 HydrophobicContact CD1-CG 3.75Å; L291-L305 WeakPolarHBondContact O-CD2 3.46Å
292	C	89.5	Confident	85.2	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	38%	0.384	C	S	.	.			trans	-80.7	118	161.7	-168.9	0	0	0	0	109	I294 G296 A297 F299 L305 H308 H313	C292-I294 PolarHBondContact O-N 2.85Å; C292-G296 WeakPolarHBondContact O-CA 3.42Å; C292-G296 PolarHBondContact O-N 3.16Å; C292-A297 HydrophobicContact CB-CB 4.3Å; C292-A297 WeakPolarHBondContact CB-O 3.5Å; C292-A297 PolarHBondContact N-O 3.37Å; C292-F299 HydrophobicContact CB-CE2 4.25Å; C292-L305 HydrophobicContact CB-CD1 3.66Å; C292-H308 VanDerWaalsContact SG-CD2 3.59Å; C292-H308 PolarHBondContact SG-NE2 2.84Å; C292-H308 VanDerWaalsContact SG-NE2 3.43Å; C292-H313 PolarHBondContact SG-NE2 3.28Å; C292-H313 VanDerWaalsContact SG-NE2 3.44Å
293	D	89	Confident	85.1	Confident	114 Å²	114	73.6 Å²	73.6	61%	0.61	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-26.1	173.9	47.8	-1.2	0	0	0	113.5	K309	D293-K309 WeakPolarHBondContact OD1-CE 3.46Å; D293-K309 IonicContact OD1-NZ 4Å; D293-K309 PolarHBondContact OD1-NZ 2.92Å; D293-K309 IonicContact OD2-NZ 2.66Å; D293-K309 PolarHBondContact OD2-NZ 3.39Å
294	I	86.8	Confident	85.3	Confident	108 Å²	108	73 Å²	73	55%	0.554	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-38.4	-175.8	-56.4	164.2	0	0	0	112.8	C292 H313	C292-I294 PolarHBondContact O-N 2.85Å; I294-H313 HydrophobicContact CD1-CB 3.7Å; I294-H313 WeakPolarHBondContact CG2-CE1 3.38Å; I294-H313 VanDerWaalsContact CG2-ND1 3.33Å; I294-H313 WeakPolarHBondContact CG2-ND1 3.28Å
295	C	87.3	Confident	85.5	Confident	67 Å²	67	71 Å²	71	45%	0.453	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	3	-177.2	66.2	0	0	0	0	115.3	A297 H308 H313	C295-A297 PolarHBondContact O-N 3.47Å; C295-A297 VanDerWaalsContact O-N 3.14Å; C295-A297 WeakPolarHBondContact SG-CB 3.48Å; C295-H308 VanDerWaalsContact SG-CE1 3.58Å; C295-H308 PolarHBondContact SG-NE2 3.29Å; C295-H313 PolarHBondContact SG-NE2 3.34Å; C295-H313 VanDerWaalsContact SG-NE2 3.42Å
296	G	85.5	Confident	85.6	Confident	43 Å²	43	73.3 Å²	73.3	44%	0.443	39%	0.392	S	S	.	.			trans	71.8	0.1	-177.8	0	0	0	0	0	115.1	L291 C292 R298	L291-G296 VanDerWaalsContact CD1-O 3.28Å; L291-G296 WeakPolarHBondContact CD1-O 3.18Å; C292-G296 WeakPolarHBondContact O-CA 3.42Å; C292-G296 PolarHBondContact O-N 3.16Å; G296-R298 PolarHBondContact O-N 2.93Å
297	A	84.4	Confident	86	Confident	33 Å²	33	74.5 Å²	74.5	27%	0.273	39%	0.386	S	S	.	.			trans	-63	132.3	-179.9	0	0	0	0	0	111.8	C292 C295 F299	C292-A297 HydrophobicContact CB-CB 4.3Å; C292-A297 WeakPolarHBondContact CB-O 3.5Å; C292-A297 PolarHBondContact N-O 3.37Å; C295-A297 PolarHBondContact O-N 3.47Å; C295-A297 VanDerWaalsContact O-N 3.14Å; C295-A297 WeakPolarHBondContact SG-CB 3.48Å; A297-F299 HydrophobicContact CB-CE2 3.69Å; A297-F299 HydrophobicContact CB-CZ 3.86Å; A297-F299 WeakPolarHBondContact O-CD2 3.43Å; A297-F299 WeakPolarHBondContact O-CE2 3.47Å
298	R	87.3	Confident	86.4	Confident	141 Å²	141	70.1 Å²	70.1	53%	0.532	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	132.3	-177.1	-57.9	-173.6	73.6	120.8	0.5	112.6	R288 L291 G296	R288-R298 HydrophobicContact CB-CB 3.66Å; R288-R298 WeakPolarHBondContact CD-O 3.49Å; R288-R298 HydrophobicContact CG-CB 4.49Å; R288-R298 PolarHBondContact NE-O 3.34Å; R288-R298 PolarHBondContact O-NE 2.88Å; R288-R298 VanDerWaalsContact O-NE 3.12Å; R288-R298 PolarHBondContact O-NH2 3.05Å; R288-R298 VanDerWaalsContact O-NH2 3.14Å; L291-R298 HydrophobicContact CD1-CG 3.75Å; G296-R298 PolarHBondContact O-N 2.93Å
299	F	85.2	Confident	86.7	Confident	38 Å²	38	66.9 Å²	66.9	17%	0.167	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	149.7	-176.8	-59.1	-88.1	0	0	0	112.1	R288 H290 C292 A297 H304 L305 H308	R288-F299 CarbonylContact C-O 3.2Å; R288-F299 VanDerWaalsContact C-O 3.3Å; R288-F299 VanDerWaalsContact CA-O 3.29Å; R288-F299 WeakPolarHBondContact CA-O 3.48Å; H290-F299 HydrophobicContact CB-CB 4.2Å; H290-F299 PolarHBondContact N-O 3.26Å; H290-F299 VanDerWaalsContact N-O 3.16Å; H290-F299 PolarHBondContact O-N 3.23Å; C292-F299 HydrophobicContact CB-CE2 4.25Å; A297-F299 HydrophobicContact CB-CE2 3.69Å; A297-F299 HydrophobicContact CB-CZ 3.86Å; A297-F299 WeakPolarHBondContact O-CD2 3.43Å; A297-F299 WeakPolarHBondContact O-CE2 3.47Å; F299-H304 HydrophobicContact CB-CB 4.32Å; F299-H304 HydrophobicContact CD1-CB 3.91Å; F299-H304 HydrophobicContact CG-CB 4.41Å; F299-L305 HydrophobicContact CB-CB 4.26Å; F299-L305 HydrophobicContact CD2-CB 3.91Å; F299-L305 HydrophobicContact CD2-CD1 3.72Å; F299-L305 HydrophobicContact CD2-CG 4.42Å; F299-L305 HydrophobicContact CE2-CD1 3.91Å; F299-L305 HydrophobicContact CG-CB 4.21Å; F299-H308 HydrophobicContact CE1-CB 3.81Å; F299-H308 HydrophobicContact CE2-CB 3.94Å; F299-H308 AromaticContact CE2-CD2 3.53Å; F299-H308 AromaticContact CE2-CG 3.67Å; F299-H308 HydrophobicContact CZ-CB 3.39Å; F299-H308 AromaticContact CZ-CD2 3.54Å; F299-H308 AromaticContact CZ-CG 3.18Å; F299-H308 AromaticContact CZ-ND1 3.55Å
300	T	84.8	Confident	86.8	Confident	33 Å²	33	64 Å²	64	20%	0.202	34%	0.34	C	S	.	.	S	Bend	trans	-80.3	-20.6	178.3	55.1	0	0	0	0	112.9	A282 R288	A282-T300 HydrophobicContact CB-CG2 3.56Å; R288-T300 HydrophobicContact CG-CG2 3.84Å
301	Q	85	Confident	86.8	Confident	59 Å²	59	62.8 Å²	62.8	28%	0.276	34%	0.338	S	S	.	.	S	Bend	trans	-140.2	140.8	-177.4	-61.7	179.1	7	0	0	111.1	H290 V303 H304 L305	H290-Q301 VanDerWaalsContact CD2-CA 3.48Å; H290-Q301 WeakPolarHBondContact CD2-CA 3.32Å; Q301-V303 HydrophobicContact CB-CG2 3.92Å; Q301-V303 PolarHBondContact O-N 2.97Å; Q301-H304 PolarHBondContact O-N 3.13Å; Q301-L305 PolarHBondContact O-N 2.98Å
302	S	87.1	Confident	86.8	Confident	48 Å²	48	62.7 Å²	62.7	34%	0.336	34%	0.341	S	S	.	.	H	α-helix	trans	-57.5	-35.7	179.2	179.7	0	0	0	0	112.7	H290 H304 L305 K306	H290-S302 PolarHBondContact CD2-N 3.28Å; H290-S302 PolarHBondContact NE2-N 3.46Å; H290-S302 VanDerWaalsContact NE2-N 3.17Å; S302-H304 VanDerWaalsContact C-N 3.3Å; S302-H304 PolarHBondContact O-N 3.3Å; S302-L305 PolarHBondContact O-N 2.88Å; S302-K306 WeakPolarHBondContact O-CG 3.44Å; S302-K306 PolarHBondContact O-N 2.63Å
303	V	83.9	Confident	86.7	Confident	90 Å²	90	65.7 Å²	65.7	55%	0.545	36%	0.355	S	S	.	.	H	α-helix	trans	-61.9	-36.4	177	-69.8	0	0	0	0	112.7	Q301 Q307	Q301-V303 HydrophobicContact CB-CG2 3.92Å; Q301-V303 PolarHBondContact O-N 2.97Å; V303-Q307 WeakPolarHBondContact O-CB 3.32Å; V303-Q307 PolarHBondContact O-N 2.91Å
304	H	87.4	Confident	86.6	Confident	76 Å²	76	65.3 Å²	65.3	35%	0.352	35%	0.35	S	S	.	.	H	α-helix	trans	-73	-36.6	176.8	-60.3	155.5	0	0	0	111.5	F299 Q301 S302 Q307 H308	F299-H304 HydrophobicContact CB-CB 4.32Å; F299-H304 HydrophobicContact CD1-CB 3.91Å; F299-H304 HydrophobicContact CG-CB 4.41Å; Q301-H304 PolarHBondContact O-N 3.13Å; S302-H304 VanDerWaalsContact C-N 3.3Å; S302-H304 PolarHBondContact O-N 3.3Å; H304-Q307 PolarHBondContact O-N 3.06Å; H304-H308 VanDerWaalsContact O-CB 3.22Å; H304-H308 WeakPolarHBondContact O-CB 3.36Å; H304-H308 PolarHBondContact O-N 3.24Å
305	L	90	Very high	86.3	Confident	21 Å²	21	62.4 Å²	62.4	11%	0.11	35%	0.347	C	S	.	.	H	α-helix	trans	-62.6	-47.6	172.2	172.9	62.5	0	0	0	111.3	H290 L291 C292 F299 Q301 S302 Q307 H308 K309	H290-L305 HydrophobicContact CB-CB 4.09Å; H290-L305 HydrophobicContact CB-CD2 3.9Å; L291-L305 WeakPolarHBondContact O-CD2 3.46Å; C292-L305 HydrophobicContact CB-CD1 3.66Å; F299-L305 HydrophobicContact CB-CB 4.26Å; F299-L305 HydrophobicContact CD2-CB 3.91Å; F299-L305 HydrophobicContact CD2-CD1 3.72Å; F299-L305 HydrophobicContact CD2-CG 4.42Å; F299-L305 HydrophobicContact CE2-CD1 3.91Å; F299-L305 HydrophobicContact CG-CB 4.21Å; Q301-L305 PolarHBondContact O-N 2.98Å; S302-L305 PolarHBondContact O-N 2.88Å; L305-Q307 VanDerWaalsContact C-N 3.34Å; L305-Q307 PolarHBondContact O-N 2.76Å; L305-H308 WeakPolarHBondContact O-CB 3.35Å; L305-H308 PolarHBondContact O-N 3.27Å; L305-K309 HydrophobicContact CD1-CD 4.5Å; L305-K309 HydrophobicContact CD1-CG 4.2Å; L305-K309 PolarHBondContact O-N 3.19Å
306	K	87.7	Confident	85.9	Confident	147 Å²	147	65 Å²	65	64%	0.639	35%	0.35	S	S	*	.	H	α-helix	trans	-59.6	-44.8	176.9	-71.9	-176.8	-178.4	-172.9	0	111.6	S302 H308 K309 A310	S302-K306 WeakPolarHBondContact O-CG 3.44Å; S302-K306 PolarHBondContact O-N 2.63Å; K306-H308 VanDerWaalsContact C-N 3.34Å; K306-K309 PolarHBondContact O-N 2.86Å; K306-A310 WeakPolarHBondContact O-CB 3.32Å; K306-A310 PolarHBondContact O-N 2.66Å
307	Q	86.1	Confident	85.7	Confident	68 Å²	68	67.6 Å²	67.6	32%	0.318	35%	0.349	S	S	.	.	H	α-helix	trans	-64	-39.3	176.3	-176.8	175.5	46	0	0	112.2	V303 H304 L305 S311 Q330	V303-Q307 WeakPolarHBondContact O-CB 3.32Å; V303-Q307 PolarHBondContact O-N 2.91Å; H304-Q307 PolarHBondContact O-N 3.06Å; L305-Q307 VanDerWaalsContact C-N 3.34Å; L305-Q307 PolarHBondContact O-N 2.76Å; Q307-S311 VanDerWaalsContact O-CB 3.28Å; Q307-S311 WeakPolarHBondContact O-CB 3.3Å; Q307-S311 PolarHBondContact O-N 2.85Å; Q307-S311 PolarHBondContact O-OG 2.87Å; Q307-Q330 VanDerWaalsContact NE2-CD 3.3Å; Q307-Q330 VanDerWaalsContact NE2-CG 3.29Å; Q307-Q330 VanDerWaalsContact NE2-NE2 3.19Å
308	H	87.9	Confident	85.5	Confident	28 Å²	28	69.9 Å²	69.9	13%	0.13	36%	0.361	C	S	.	.	H	α-helix	trans	-63.1	-50.9	174.9	165.2	78	0	0	0	111.5	C292 C295 F299 H304 L305 K306 A310 S311 V312 H313	C292-H308 VanDerWaalsContact SG-CD2 3.59Å; C292-H308 PolarHBondContact SG-NE2 2.84Å; C292-H308 VanDerWaalsContact SG-NE2 3.43Å; C295-H308 VanDerWaalsContact SG-CE1 3.58Å; C295-H308 PolarHBondContact SG-NE2 3.29Å; F299-H308 HydrophobicContact CE1-CB 3.81Å; F299-H308 HydrophobicContact CE2-CB 3.94Å; F299-H308 AromaticContact CE2-CD2 3.53Å; F299-H308 AromaticContact CE2-CG 3.67Å; F299-H308 HydrophobicContact CZ-CB 3.39Å; F299-H308 AromaticContact CZ-CD2 3.54Å; F299-H308 AromaticContact CZ-CG 3.18Å; F299-H308 AromaticContact CZ-ND1 3.55Å; H304-H308 VanDerWaalsContact O-CB 3.22Å; H304-H308 WeakPolarHBondContact O-CB 3.36Å; H304-H308 PolarHBondContact O-N 3.24Å; L305-H308 WeakPolarHBondContact O-CB 3.35Å; L305-H308 PolarHBondContact O-N 3.27Å; K306-H308 VanDerWaalsContact C-N 3.34Å; H308-A310 VanDerWaalsContact C-N 3.34Å; H308-A310 PolarHBondContact O-N 3.05Å; H308-S311 PolarHBondContact O-N 3.36Å; H308-S311 PolarHBondContact O-OG 3.03Å; H308-V312 WeakPolarHBondContact O-CB 3.36Å; H308-V312 PolarHBondContact O-N 3.37Å; H308-H313 AromaticContact CE1-NE2 3.98Å; H308-H313 AromaticContact NE2-CD2 3.83Å; H308-H313 AromaticContact NE2-NE2 3.35Å; H308-H313 PolarHBondContact NE2-NE2 2.68Å
309	K	88.3	Confident	85.3	Confident	53 Å²	53	67.7 Å²	67.7	23%	0.23	35%	0.354	C	S	.	.	I	π-helix	trans	-55.1	-49.6	175.5	-74.3	-171.2	171.3	-159.2	0	111.6	D293 L305 K306 S311 H313 E314	D293-K309 WeakPolarHBondContact OD1-CE 3.46Å; D293-K309 IonicContact OD1-NZ 4Å; D293-K309 PolarHBondContact OD1-NZ 2.92Å; D293-K309 IonicContact OD2-NZ 2.66Å; D293-K309 PolarHBondContact OD2-NZ 3.39Å; L305-K309 HydrophobicContact CD1-CD 4.5Å; L305-K309 HydrophobicContact CD1-CG 4.2Å; L305-K309 PolarHBondContact O-N 3.19Å; K306-K309 PolarHBondContact O-N 2.86Å; K309-S311 PolarHBondContact O-N 3.13Å; K309-H313 WeakPolarHBondContact O-CB 3.46Å; K309-H313 PolarHBondContact O-N 3.39Å; K309-H313 VanDerWaalsContact O-N 3.09Å; K309-E314 PolarHBondContact O-N 3.07Å
310	A	87.7	Confident	85.1	Confident	27 Å²	27	69.6 Å²	69.6	22%	0.223	36%	0.363	C	S	.	.	I	π-helix	trans	-60.7	-41.8	178.6	0	0	0	0	0	112.6	K306 H308 G315 K316	K306-A310 WeakPolarHBondContact O-CB 3.32Å; K306-A310 PolarHBondContact O-N 2.66Å; H308-A310 VanDerWaalsContact C-N 3.34Å; H308-A310 PolarHBondContact O-N 3.05Å; A310-G315 PolarHBondContact O-N 3.01Å; A310-K316 HydrophobicContact CB-CB 4.35Å; A310-K316 WeakPolarHBondContact O-CA 2.97Å; A310-K316 WeakPolarHBondContact O-CB 3.09Å; A310-K316 PolarHBondContact O-N 3.09Å
311	S	86.7	Confident	84.7	Confident	33 Å²	33	68 Å²	68	23%	0.231	35%	0.354	C	S	.	.	I	π-helix	trans	-85.1	-37.4	-173.5	55.4	0	0	0	0	115	Q307 H308 K309 T329	Q307-S311 VanDerWaalsContact O-CB 3.28Å; Q307-S311 WeakPolarHBondContact O-CB 3.3Å; Q307-S311 PolarHBondContact O-N 2.85Å; Q307-S311 PolarHBondContact O-OG 2.87Å; H308-S311 PolarHBondContact O-N 3.36Å; H308-S311 PolarHBondContact O-OG 3.03Å; K309-S311 PolarHBondContact O-N 3.13Å; S311-T329 VanDerWaalsContact CB-CG2 3.45Å
312	V	86.1	Confident	84.4	Confident	90 Å²	90	70.8 Å²	70.8	55%	0.545	37%	0.37	S	S	.	.	I	π-helix	trans	-94.9	-43.9	-172.7	179.2	0	0	0	0	111.4	H308	H308-V312 WeakPolarHBondContact O-CB 3.36Å; H308-V312 PolarHBondContact O-N 3.37Å
313	H	86.6	Confident	83.7	Confident	62 Å²	62	74.4 Å²	74.4	29%	0.287	38%	0.38	S	S	.	.	I	π-helix	trans	-95	-42	-174.3	-62	-56.8	0	0	0	112.5	C292 I294 C295 H308 K309	C292-H313 PolarHBondContact SG-NE2 3.28Å; C292-H313 VanDerWaalsContact SG-NE2 3.44Å; I294-H313 HydrophobicContact CD1-CB 3.7Å; I294-H313 WeakPolarHBondContact CG2-CE1 3.38Å; I294-H313 VanDerWaalsContact CG2-ND1 3.33Å; I294-H313 WeakPolarHBondContact CG2-ND1 3.28Å; C295-H313 PolarHBondContact SG-NE2 3.34Å; C295-H313 VanDerWaalsContact SG-NE2 3.42Å; H308-H313 AromaticContact CE1-NE2 3.98Å; H308-H313 AromaticContact NE2-CD2 3.83Å; H308-H313 AromaticContact NE2-NE2 3.35Å; H308-H313 PolarHBondContact NE2-NE2 2.68Å; K309-H313 WeakPolarHBondContact O-CB 3.46Å; K309-H313 PolarHBondContact O-N 3.39Å; K309-H313 VanDerWaalsContact O-N 3.09Å
314	E	87	Confident	83.4	Confident	106 Å²	106	72.8 Å²	72.8	50%	0.495	37%	0.372	S	S	.	.	S	Bend	trans	-90	-8.6	179.9	-56	174.1	-179.5	0	0	113.1	K309 K316	K309-E314 PolarHBondContact O-N 3.07Å; E314-K316 HydrophobicContact CB-CD 4.28Å; E314-K316 HydrophobicContact CB-CG 3.91Å; E314-K316 PolarHBondContact O-N 2.94Å; E314-K316 IonicContact OE1-NZ 2.97Å; E314-K316 WeakPolarHBondContact OE2-CD 3.46Å; E314-K316 WeakPolarHBondContact OE2-CE 3.42Å; E314-K316 IonicContact OE2-NZ 2.63Å; E314-K316 PolarHBondContact OE2-NZ 3.19Å
315	G	79.5	Confident	82.9	Confident	48 Å²	48	74.7 Å²	74.7	50%	0.495	38%	0.381	S	S	.	.			trans	61.7	13	-176.8	0	0	0	0	0	114.8	A310 K317	A310-G315 PolarHBondContact O-N 3.01Å; G315-K317 PolarHBondContact O-N 3.23Å; G315-K317 VanDerWaalsContact O-N 3.14Å
316	K	80.7	Confident	82.3	Confident	120 Å²	120	81.4 Å²	81.4	52%	0.522	41%	0.405	S	S	.	.			trans	-66.5	114.5	-177.5	-68.6	-175.4	-175.3	154.9	0	110.4	A310 E314 P318	A310-K316 HydrophobicContact CB-CB 4.35Å; A310-K316 WeakPolarHBondContact O-CA 2.97Å; A310-K316 WeakPolarHBondContact O-CB 3.09Å; A310-K316 PolarHBondContact O-N 3.09Å; E314-K316 HydrophobicContact CB-CD 4.28Å; E314-K316 HydrophobicContact CB-CG 3.91Å; E314-K316 PolarHBondContact O-N 2.94Å; E314-K316 IonicContact OE1-NZ 2.97Å; E314-K316 WeakPolarHBondContact OE2-CD 3.46Å; E314-K316 WeakPolarHBondContact OE2-CE 3.42Å; E314-K316 IonicContact OE2-NZ 2.63Å; E314-K316 PolarHBondContact OE2-NZ 3.19Å; K316-P318 VanDerWaalsContact C-CD 3.49Å; K316-P318 VanDerWaalsContact O-CD 3.3Å; K316-P318 WeakPolarHBondContact O-CD 3.42Å
317	K	80.9	Confident	82.1	Confident	99 Å²	99	80.9 Å²	80.9	43%	0.43	40%	0.399	S	S	.	.			trans	-114.9	79.6	170.4	-65.9	-178.3	-176.1	176.4	0	108.6	G315 Y319 R327 F328 T329	G315-K317 PolarHBondContact O-N 3.23Å; G315-K317 VanDerWaalsContact O-N 3.14Å; K317-Y319 PolarHBondContact O-N 3.35Å; K317-R327 HydrophobicContact CB-CB 3.57Å; K317-R327 HydrophobicContact CD-CB 4.25Å; K317-R327 WeakPolarHBondContact CD-O 3.48Å; K317-R327 PolarHBondContact O-NE 2.86Å; K317-R327 PolarHBondContact O-NH2 3.2Å; K317-F328 CarbonylContact C-O 3.3Å; K317-F328 VanDerWaalsContact C-O 3.24Å; K317-F328 VanDerWaalsContact CA-O 3.25Å; K317-F328 WeakPolarHBondContact CA-O 3.47Å; K317-T329 HydrophobicContact CG-CG2 3.86Å
318	P	80	Confident	81.8	Confident	80 Å²	80	79.2 Å²	79.2	52%	0.519	39%	0.391	S	S	.	.			trans	-70.3	-18.7	-170.3	25.7	-32.5	0	0	0	113.2	K316	K316-P318 VanDerWaalsContact C-CD 3.49Å; K316-P318 VanDerWaalsContact O-CD 3.3Å; K316-P318 WeakPolarHBondContact O-CD 3.42Å
319	Y	82.4	Confident	81.6	Confident	96 Å²	96	79.6 Å²	79.6	38%	0.376	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	116.4	-176.1	-52.3	-78.4	0	0	0	110.7	K317 R327 F328 Q330 L331 V334	K317-Y319 PolarHBondContact O-N 3.35Å; Y319-R327 CarbonylContact O-C 3.59Å; Y319-R327 WeakPolarHBondContact O-CA 3.34Å; Y319-F328 PolarHBondContact N-O 3.09Å; Y319-F328 PolarHBondContact O-N 2.85Å; Y319-Q330 VanDerWaalsContact CD2-C 3.43Å; Y319-L331 HydrophobicContact CD1-CB 3.95Å; Y319-L331 HydrophobicContact CD1-CD1 3.8Å; Y319-L331 HydrophobicContact CD1-CG 4.44Å; Y319-L331 HydrophobicContact CE1-CB 3.81Å; Y319-L331 HydrophobicContact CE1-CD1 4.2Å; Y319-L331 HydrophobicContact CE1-CG 4.45Å; Y319-L331 HydrophobicContact CE2-CB 4.45Å; Y319-L331 HydrophobicContact CG-CB 4.33Å; Y319-L331 HydrophobicContact CG-CD1 4.5Å; Y319-V334 VanDerWaalsContact CB-CG2 3.46Å
320	Q	80.7	Confident	81.3	Confident	77 Å²	77	80.5 Å²	80.5	36%	0.36	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	140.2	-179.9	-173.6	164.7	6.9	0	0	110.4	Q325 R327	Q320-Q325 VanDerWaalsContact CD-OE1 3.27Å; Q320-R327 HydrophobicContact CB-CG 4.34Å; Q320-R327 HydrophobicContact CG-CG 4.2Å
321	C	77.9	Confident	80.9	Confident	1 Å²	1	83 Å²	83	1%	0.007	41%	0.41	C	S	.	.			trans	-79.4	119.7	168.3	-176.4	0	0	0	0	109.1	F323 Q325 R326 F328 H337	C321-F323 PolarHBondContact O-N 3.4Å; C321-Q325 WeakPolarHBondContact O-CA 3.39Å; C321-Q325 PolarHBondContact O-N 3.44Å; C321-R326 PolarHBondContact N-O 3.48Å; C321-F328 HydrophobicContact CB-CE2 4.26Å; C321-H337 WeakPolarHBondContact CB-NE2 3.28Å; C321-H337 PolarHBondContact SG-CD2 3.17Å; C321-H337 PolarHBondContact SG-NE2 2.96Å
322	N	78.3	Confident	80.4	Confident	116 Å²	116	83.1 Å²	83.1	62%	0.62	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.3	-179.4	-61.1	-1	0	0	0	113.3
323	F	71.2	Confident	80	Confident	124 Å²	124	83 Å²	83	54%	0.544	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-41.4	-176	-61.9	-72.8	0	0	0	113.7	C321 D342	C321-F323 PolarHBondContact O-N 3.4Å; F323-D342 HydrophobicContact CD2-CB 4.24Å; F323-D342 HydrophobicContact CE2-CB 4.27Å; F323-D342 WeakPolarHBondContact CE2-OD2 3.33Å; F323-D342 VanDerWaalsContact CZ-OD2 3.3Å; F323-D342 WeakPolarHBondContact CZ-OD2 3.38Å
324	C	78.3	Confident	79.8	Confident	57 Å²	57	80.4 Å²	80.4	39%	0.385	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	9.5	-177.2	81.9	0	0	0	0	113.5	R326 H337 V341	C324-R326 PolarHBondContact O-N 3.45Å; C324-R326 WeakPolarHBondContact SG-CB 3.45Å; C324-H337 PolarHBondContact SG-CE1 3.02Å; C324-H337 PolarHBondContact SG-NE2 3.06Å; C324-V341 HydrophobicContact CB-CG1 4.46Å
325	Q	76.4	Confident	79.2	Confident	115 Å²	115	83.3 Å²	83.3	54%	0.537	40%	0.404	S	S	.	.			trans	55.6	11.1	-179.8	-54.6	-61.4	-6.9	0	0	115.9	Q320 C321	Q320-Q325 VanDerWaalsContact CD-OE1 3.27Å; C321-Q325 WeakPolarHBondContact O-CA 3.39Å; C321-Q325 PolarHBondContact O-N 3.44Å
326	R	78	Confident	78.8	Confident	163 Å²	163	83.3 Å²	83.3	62%	0.615	39%	0.394	S	S	*	.			trans	-71.6	133.1	179.2	-165.2	170.6	-176.1	172.5	1.6	109.9	C321 C324 F328	C321-R326 PolarHBondContact N-O 3.48Å; C324-R326 PolarHBondContact O-N 3.45Å; C324-R326 WeakPolarHBondContact SG-CB 3.45Å; R326-F328 HydrophobicContact CB-CE2 3.91Å; R326-F328 HydrophobicContact CB-CZ 4.23Å; R326-F328 HydrophobicContact CG-CE2 4Å; R326-F328 HydrophobicContact CG-CZ 3.96Å; R326-F328 VanDerWaalsContact O-CD2 3.32Å; R326-F328 WeakPolarHBondContact O-CD2 3.27Å; R326-F328 VanDerWaalsContact O-CE2 3.25Å; R326-F328 WeakPolarHBondContact O-CE2 3.48Å
327	R	83	Confident	78.6	Confident	136 Å²	136	78.6 Å²	78.6	51%	0.513	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	143.9	-177.3	-55.6	-177.8	71.2	140.7	3.3	111.7	K317 Y319 Q320	K317-R327 HydrophobicContact CB-CB 3.57Å; K317-R327 HydrophobicContact CD-CB 4.25Å; K317-R327 WeakPolarHBondContact CD-O 3.48Å; K317-R327 PolarHBondContact O-NE 2.86Å; K317-R327 PolarHBondContact O-NH2 3.2Å; Y319-R327 CarbonylContact O-C 3.59Å; Y319-R327 WeakPolarHBondContact O-CA 3.34Å; Q320-R327 HydrophobicContact CB-CG 4.34Å; Q320-R327 HydrophobicContact CG-CG 4.2Å
328	F	81	Confident	78.2	Confident	32 Å²	32	77.2 Å²	77.2	14%	0.14	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	153.7	-175.2	-61.6	-94.8	0	0	0	111.3	K317 Y319 C321 R326 H333 V334 H337	K317-F328 CarbonylContact C-O 3.3Å; K317-F328 VanDerWaalsContact C-O 3.24Å; K317-F328 VanDerWaalsContact CA-O 3.25Å; K317-F328 WeakPolarHBondContact CA-O 3.47Å; Y319-F328 PolarHBondContact N-O 3.09Å; Y319-F328 PolarHBondContact O-N 2.85Å; C321-F328 HydrophobicContact CB-CE2 4.26Å; R326-F328 HydrophobicContact CB-CE2 3.91Å; R326-F328 HydrophobicContact CB-CZ 4.23Å; R326-F328 HydrophobicContact CG-CE2 4Å; R326-F328 HydrophobicContact CG-CZ 3.96Å; R326-F328 VanDerWaalsContact O-CD2 3.32Å; R326-F328 WeakPolarHBondContact O-CD2 3.27Å; R326-F328 VanDerWaalsContact O-CE2 3.25Å; R326-F328 WeakPolarHBondContact O-CE2 3.48Å; F328-H333 HydrophobicContact CB-CB 4.27Å; F328-H333 HydrophobicContact CD1-CB 3.72Å; F328-H333 HydrophobicContact CG-CB 4.3Å; F328-V334 HydrophobicContact CB-CG2 3.66Å; F328-V334 HydrophobicContact CD2-CB 4.49Å; F328-V334 HydrophobicContact CD2-CG2 3.57Å; F328-V334 HydrophobicContact CE2-CG2 4.44Å; F328-V334 HydrophobicContact CG-CG2 3.78Å; F328-H337 HydrophobicContact CE1-CB 3.95Å; F328-H337 HydrophobicContact CE2-CB 4.15Å; F328-H337 AromaticContact CE2-CD2 3.51Å; F328-H337 AromaticContact CE2-CG 3.74Å; F328-H337 AromaticContact CE2-NE2 3.89Å; F328-H337 HydrophobicContact CZ-CB 3.53Å; F328-H337 AromaticContact CZ-CD2 3.51Å; F328-H337 AromaticContact CZ-CE1 3.89Å; F328-H337 AromaticContact CZ-CG 3.23Å; F328-H337 AromaticContact CZ-ND1 3.52Å; F328-H337 AromaticContact CZ-NE2 3.88Å
329	T	83	Confident	77.7	Confident	37 Å²	37	75 Å²	75	23%	0.227	35%	0.354	C	S	.	.	S	Bend	trans	-82.3	-20.4	179.3	54.7	0	0	0	0	113	S311 K317	S311-T329 VanDerWaalsContact CB-CG2 3.45Å; K317-T329 HydrophobicContact CG-CG2 3.86Å
330	Q	81.9	Confident	77	Confident	71 Å²	71	73.1 Å²	73.1	33%	0.332	35%	0.353	S	S	.	.	S	Bend	trans	-137.7	141.6	-177	-44.2	-164	-4.5	0	0	111.3	Q307 Y319 G332 H333 V334	Q307-Q330 VanDerWaalsContact NE2-CD 3.3Å; Q307-Q330 VanDerWaalsContact NE2-CG 3.29Å; Q307-Q330 VanDerWaalsContact NE2-NE2 3.19Å; Y319-Q330 VanDerWaalsContact CD2-C 3.43Å; Q330-G332 VanDerWaalsContact C-N 3.27Å; Q330-G332 PolarHBondContact O-N 3.11Å; Q330-H333 WeakPolarHBondContact O-CB 3.49Å; Q330-H333 PolarHBondContact O-N 3.42Å; Q330-H333 VanDerWaalsContact O-N 3.15Å; Q330-V334 PolarHBondContact O-N 3.44Å
331	L	78.8	Confident	76.2	Confident	80 Å²	80	73.1 Å²	73.1	42%	0.419	36%	0.358	S	S	.	.	H	α-helix	trans	-61.8	-34.3	177.7	-173.8	63.7	0	0	0	112.5	Y319 H333 V334 R335	Y319-L331 HydrophobicContact CD1-CB 3.95Å; Y319-L331 HydrophobicContact CD1-CD1 3.8Å; Y319-L331 HydrophobicContact CD1-CG 4.44Å; Y319-L331 HydrophobicContact CE1-CB 3.81Å; Y319-L331 HydrophobicContact CE1-CD1 4.2Å; Y319-L331 HydrophobicContact CE1-CG 4.45Å; Y319-L331 HydrophobicContact CE2-CB 4.45Å; Y319-L331 HydrophobicContact CG-CB 4.33Å; Y319-L331 HydrophobicContact CG-CD1 4.5Å; L331-H333 VanDerWaalsContact C-N 3.28Å; L331-H333 PolarHBondContact O-N 3.43Å; L331-V334 WeakPolarHBondContact O-CB 3.4Å; L331-V334 PolarHBondContact O-N 3.35Å; L331-V334 VanDerWaalsContact O-N 3.13Å; L331-R335 PolarHBondContact O-N 3.07Å
332	G	76.1	Confident	75.3	Confident	36 Å²	36	77 Å²	77	37%	0.371	38%	0.379	S	S	.	.	H	α-helix	trans	-59.8	-37.8	176	0	0	0	0	0	112.8	Q330 V334 R335 V336	Q330-G332 VanDerWaalsContact C-N 3.27Å; Q330-G332 PolarHBondContact O-N 3.11Å; G332-V334 VanDerWaalsContact C-N 3.35Å; G332-R335 PolarHBondContact O-N 3.42Å; G332-V336 WeakPolarHBondContact O-CG2 3.34Å; G332-V336 PolarHBondContact O-N 3.42Å; G332-V336 VanDerWaalsContact O-N 3.11Å
333	H	79.2	Confident	74.2	Confident	88 Å²	88	76.1 Å²	76.1	41%	0.407	37%	0.371	S	S	.	.	H	α-helix	trans	-67.2	-36.3	175.5	-60.9	164.4	0	0	0	111.9	F328 Q330 L331 H337	F328-H333 HydrophobicContact CB-CB 4.27Å; F328-H333 HydrophobicContact CD1-CB 3.72Å; F328-H333 HydrophobicContact CG-CB 4.3Å; Q330-H333 WeakPolarHBondContact O-CB 3.49Å; Q330-H333 PolarHBondContact O-N 3.42Å; Q330-H333 VanDerWaalsContact O-N 3.15Å; L331-H333 VanDerWaalsContact C-N 3.28Å; L331-H333 PolarHBondContact O-N 3.43Å; H333-H337 WeakPolarHBondContact O-CB 3.48Å; H333-H337 PolarHBondContact O-N 3.4Å
334	V	80.8	Confident	73.5	Confident	6 Å²	6	72.9 Å²	72.9	4%	0.036	37%	0.372	C	S	.	.	H	α-helix	trans	-64.3	-42	173.2	-175.9	0	0	0	0	111.2	Y319 F328 Q330 L331 G332 H337 K338	Y319-V334 VanDerWaalsContact CB-CG2 3.46Å; F328-V334 HydrophobicContact CB-CG2 3.66Å; F328-V334 HydrophobicContact CD2-CB 4.49Å; F328-V334 HydrophobicContact CD2-CG2 3.57Å; F328-V334 HydrophobicContact CE2-CG2 4.44Å; F328-V334 HydrophobicContact CG-CG2 3.78Å; Q330-V334 PolarHBondContact O-N 3.44Å; L331-V334 WeakPolarHBondContact O-CB 3.4Å; L331-V334 PolarHBondContact O-N 3.35Å; L331-V334 VanDerWaalsContact O-N 3.13Å; G332-V334 VanDerWaalsContact C-N 3.35Å; V334-H337 PolarHBondContact O-N 3.48Å; V334-K338 HydrophobicContact CG1-CD 4.22Å; V334-K338 HydrophobicContact CG1-CG 4.15Å; V334-K338 WeakPolarHBondContact O-CB 3.33Å; V334-K338 WeakPolarHBondContact O-CG 3.46Å; V334-K338 PolarHBondContact O-N 2.88Å
335	R	75.5	Confident	72.5	Confident	167 Å²	167	76 Å²	76	63%	0.63	38%	0.38	S	S	*	.	H	α-helix	trans	-60.5	-49.2	177.7	-67.5	-176.3	-159.8	168.8	3.7	111.5	L331 G332 H337 K338 C339	L331-R335 PolarHBondContact O-N 3.07Å; G332-R335 PolarHBondContact O-N 3.42Å; R335-H337 VanDerWaalsContact C-N 3.31Å; R335-H337 PolarHBondContact O-N 3.36Å; R335-K338 PolarHBondContact O-N 2.85Å; R335-C339 PolarHBondContact O-N 3.43Å; R335-C339 PolarHBondContact O-SG 3.15Å
336	V	71.7	Confident	71.5	Confident	48 Å²	48	75.2 Å²	75.2	29%	0.291	37%	0.374	S	S	.	.	H	α-helix	trans	-61.2	-43.3	176.6	177.5	0	0	0	0	110.5	G332 C339 V340	G332-V336 WeakPolarHBondContact O-CG2 3.34Å; G332-V336 PolarHBondContact O-N 3.42Å; G332-V336 VanDerWaalsContact O-N 3.11Å; V336-C339 PolarHBondContact O-N 2.9Å; V336-V340 VanDerWaalsContact O-CG2 3.3Å; V336-V340 WeakPolarHBondContact O-CG2 3.5Å; V336-V340 PolarHBondContact O-N 2.82Å
337	H	76.6	Confident	70.9	Confident	21 Å²	21	75.9 Å²	75.9	10%	0.097	38%	0.377	C	S	.	.	H	α-helix	trans	-62.9	-43.6	177.9	168.1	76.2	0	0	0	113.1	C321 C324 F328 H333 V334 R335 C339 V340 V341	C321-H337 WeakPolarHBondContact CB-NE2 3.28Å; C321-H337 PolarHBondContact SG-CD2 3.17Å; C321-H337 PolarHBondContact SG-NE2 2.96Å; C324-H337 PolarHBondContact SG-CE1 3.02Å; C324-H337 PolarHBondContact SG-NE2 3.06Å; F328-H337 HydrophobicContact CE1-CB 3.95Å; F328-H337 HydrophobicContact CE2-CB 4.15Å; F328-H337 AromaticContact CE2-CD2 3.51Å; F328-H337 AromaticContact CE2-CG 3.74Å; F328-H337 AromaticContact CE2-NE2 3.89Å; F328-H337 HydrophobicContact CZ-CB 3.53Å; F328-H337 AromaticContact CZ-CD2 3.51Å; F328-H337 AromaticContact CZ-CE1 3.89Å; F328-H337 AromaticContact CZ-CG 3.23Å; F328-H337 AromaticContact CZ-ND1 3.52Å; F328-H337 AromaticContact CZ-NE2 3.88Å; H333-H337 WeakPolarHBondContact O-CB 3.48Å; H333-H337 PolarHBondContact O-N 3.4Å; V334-H337 PolarHBondContact O-N 3.48Å; R335-H337 VanDerWaalsContact C-N 3.31Å; R335-H337 PolarHBondContact O-N 3.36Å; H337-C339 PolarHBondContact O-N 3.46Å; H337-V340 PolarHBondContact O-N 2.76Å; H337-V340 VanDerWaalsContact O-N 3.13Å; H337-V341 WeakPolarHBondContact CE1-CG2 3.47Å; H337-V341 PolarHBondContact O-N 2.91Å
338	K	71.8	Confident	70.3	Confident	70 Å²	70	71.8 Å²	71.8	30%	0.304	36%	0.363	S	S	.	.	H	α-helix	trans	-60.1	-44.8	175.4	-77.9	-172.8	176	-167.6	0	111.1	V334 R335 V340 V341 D342	V334-K338 HydrophobicContact CG1-CD 4.22Å; V334-K338 HydrophobicContact CG1-CG 4.15Å; V334-K338 WeakPolarHBondContact O-CB 3.33Å; V334-K338 WeakPolarHBondContact O-CG 3.46Å; V334-K338 PolarHBondContact O-N 2.88Å; R335-K338 PolarHBondContact O-N 2.85Å; K338-V340 PolarHBondContact O-N 3.47Å; K338-V341 PolarHBondContact O-N 3.32Å; K338-D342 VanDerWaalsContact O-CB 3.22Å; K338-D342 WeakPolarHBondContact O-CB 3.35Å; K338-D342 PolarHBondContact O-N 2.97Å
339	C	68.2	Low	70	Confident	33 Å²	33	73.4 Å²	73.4	22%	0.223	38%	0.376	C	S	.	.	H	α-helix	trans	-57.5	-34.3	175.7	-64.2	0	0	0	0	112.9	R335 V336 H337 Q343 F345	R335-C339 PolarHBondContact O-N 3.43Å; R335-C339 PolarHBondContact O-SG 3.15Å; V336-C339 PolarHBondContact O-N 2.9Å; H337-C339 PolarHBondContact O-N 3.46Å; C339-Q343 WeakPolarHBondContact O-CB 3.49Å; C339-F345 PolarHBondContact O-N 3.45Å
340	V	68.3	Low	70.1	Confident	57 Å²	57	71.7 Å²	71.7	35%	0.345	37%	0.366	S	S	.	.	H	α-helix	trans	-80.5	-43.9	-179.1	177.1	0	0	0	0	112.4	V336 H337 K338 T358	V336-V340 VanDerWaalsContact O-CG2 3.3Å; V336-V340 WeakPolarHBondContact O-CG2 3.5Å; V336-V340 PolarHBondContact O-N 2.82Å; H337-V340 PolarHBondContact O-N 2.76Å; H337-V340 VanDerWaalsContact O-N 3.13Å; K338-V340 PolarHBondContact O-N 3.47Å; V340-T358 HydrophobicContact CG2-CG2 3.33Å
341	V	64.9	Low	70.2	Confident	77 Å²	77	75.6 Å²	75.6	47%	0.467	39%	0.389	S	S	.	.	H	α-helix	trans	-88.3	-42.1	-170	173.9	0	0	0	0	112.9	C324 H337 K338	C324-V341 HydrophobicContact CB-CG1 4.46Å; H337-V341 WeakPolarHBondContact CE1-CG2 3.47Å; H337-V341 PolarHBondContact O-N 2.91Å; K338-V341 PolarHBondContact O-N 3.32Å
342	D	57.8	Low	70.3	Confident	83 Å²	83	77.4 Å²	77.4	44%	0.444	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-30.7	-175.6	-165.4	28.6	0	0	0	111.4	F323 K338	F323-D342 HydrophobicContact CD2-CB 4.24Å; F323-D342 HydrophobicContact CE2-CB 4.27Å; F323-D342 WeakPolarHBondContact CE2-OD2 3.33Å; F323-D342 VanDerWaalsContact CZ-OD2 3.3Å; F323-D342 WeakPolarHBondContact CZ-OD2 3.38Å; K338-D342 VanDerWaalsContact O-CB 3.22Å; K338-D342 WeakPolarHBondContact O-CB 3.35Å; K338-D342 PolarHBondContact O-N 2.97Å
343	Q	56.4	Low	70.6	Confident	98 Å²	98	78.4 Å²	78.4	46%	0.458	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-10.4	-154.6	-116.3	-178.4	46.7	0	0	112.7	C339 F345	C339-Q343 WeakPolarHBondContact O-CB 3.49Å; Q343-F345 HydrophobicContact CB-CB 4.43Å; Q343-F345 HydrophobicContact CB-CD2 3.58Å; Q343-F345 HydrophobicContact CB-CE2 4.36Å; Q343-F345 HydrophobicContact CB-CG 4.47Å; Q343-F345 HydrophobicContact CG-CD2 3.59Å; Q343-F345 HydrophobicContact CG-CE2 3.96Å; Q343-F345 WeakPolarHBondContact O-CD2 3.33Å; Q343-F345 PolarHBondContact O-N 3.42Å
344	G	55.9	Low	70.7	Confident	56 Å²	56	76.6 Å²	76.6	58%	0.577	40%	0.404	S	S	*	.			trans	58.9	1.3	-174.8	0	0	0	0	0	114.6	K346	G344-K346 PolarHBondContact O-N 3.05Å
345	F	56.4	Low	70.5	Confident	122 Å²	122	82 Å²	82	54%	0.535	43%	0.428	S	S	.	.			trans	-79.3	90.3	-169.7	-80.2	-71.4	0	0	0	110.6	C339 Q343 R347	C339-F345 PolarHBondContact O-N 3.45Å; Q343-F345 HydrophobicContact CB-CB 4.43Å; Q343-F345 HydrophobicContact CB-CD2 3.58Å; Q343-F345 HydrophobicContact CB-CE2 4.36Å; Q343-F345 HydrophobicContact CB-CG 4.47Å; Q343-F345 HydrophobicContact CG-CD2 3.59Å; Q343-F345 HydrophobicContact CG-CE2 3.96Å; Q343-F345 WeakPolarHBondContact O-CD2 3.33Å; Q343-F345 PolarHBondContact O-N 3.42Å; F345-R347 PolarHBondContact O-N 3.3Å
346	K	56.8	Low	70.6	Confident	99 Å²	99	79.1 Å²	79.1	43%	0.43	42%	0.421	S	S	.	.			trans	-81.6	86.9	157.9	-64.4	175.8	-174.6	172.5	0	107.9	G344 H348 Q356 F357 T358	G344-K346 PolarHBondContact O-N 3.05Å; K346-H348 PolarHBondContact O-N 2.86Å; K346-Q356 HydrophobicContact CB-CB 3.52Å; K346-Q356 HydrophobicContact CD-CB 3.49Å; K346-Q356 VanDerWaalsContact CD-CB 3.49Å; K346-Q356 HydrophobicContact CG-CB 4.17Å; K346-F357 CarbonylContact C-O 3.42Å; K346-F357 WeakPolarHBondContact CA-O 3.49Å; K346-T358 HydrophobicContact CG-CG2 4.32Å
347	R	64.2	Low	70.9	Confident	176 Å²	176	78.8 Å²	78.8	66%	0.664	42%	0.416	S	S	*	.			trans	-56.5	-19.4	-170.3	-73.5	-174.5	165.4	176.7	-5.3	116.2	F345 F357	F345-R347 PolarHBondContact O-N 3.3Å; R347-F357 PolarHBondContact N-O 2.71Å
348	H	70.6	Confident	70.8	Confident	50 Å²	50	80.4 Å²	80.4	23%	0.231	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	99.6	-168.5	-62.6	-62.9	0	0	0	109.9	K346 F357 L360 L363	K346-H348 PolarHBondContact O-N 2.86Å; H348-F357 HydrophobicContact CB-CB 4.25Å; H348-F357 PolarHBondContact N-O 3.25Å; H348-F357 VanDerWaalsContact N-O 3.07Å; H348-F357 WeakPolarHBondContact O-CA 3.45Å; H348-F357 WeakPolarHBondContact O-CB 3.26Å; H348-F357 PolarHBondContact O-N 2.98Å; H348-L360 PolarHBondContact CD2-N 2.84Å; H348-L360 PolarHBondContact NE2-N 3.43Å; H348-L363 HydrophobicContact CB-CB 4.02Å; H348-L363 HydrophobicContact CB-CD2 3.74Å; H348-L363 HydrophobicContact CB-CG 4.47Å
349	T	75.5	Confident	71	Confident	66 Å²	66	81.5 Å²	81.5	41%	0.405	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	142	174.7	52.3	0	0	0	0	110.1	Q356 L363	T349-Q356 HydrophobicContact CG2-CB 4.34Å; T349-Q356 HydrophobicContact CG2-CG 3.87Å; T349-L363 WeakPolarHBondContact O-CD2 3.46Å
350	C	84.7	Confident	71.5	Confident	2 Å²	2	83.9 Å²	83.9	1%	0.014	44%	0.444	C	S	.	.			trans	-84.4	118.2	169	-178.2	0	0	0	0	109.2	L352 C353 G354 K355 F357 L363 H371	C350-L352 PolarHBondContact O-N 2.83Å; C350-C353 PolarHBondContact O-N 2.95Å; C350-G354 VanDerWaalsContact O-CA 3.28Å; C350-G354 WeakPolarHBondContact O-CA 3.39Å; C350-G354 PolarHBondContact O-N 3.33Å; C350-K355 PolarHBondContact N-O 3.33Å; C350-F357 HydrophobicContact CB-CE2 4.26Å; C350-L363 HydrophobicContact CB-CD1 3.55Å; C350-H371 VanDerWaalsContact SG-CD2 3.57Å; C350-H371 PolarHBondContact SG-NE2 3.4Å
351	D	83.2	Confident	72.1	Confident	152 Å²	152	83.2 Å²	83.2	81%	0.813	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-23.1	-177.9	-53.3	-34.7	0	0	0	112.4
352	L	81.2	Confident	72.9	Confident	119 Å²	119	82.1 Å²	82.1	62%	0.623	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-19.5	-177.5	-59.7	176.3	0	0	0	114.3	C350 H371	C350-L352 PolarHBondContact O-N 2.83Å; L352-H371 WeakPolarHBondContact CB-CE1 3.28Å; L352-H371 WeakPolarHBondContact CB-ND1 3.42Å; L352-H371 HydrophobicContact CD1-CB 3.48Å; L352-H371 VanDerWaalsContact CD1-CB 3.48Å; L352-H371 VanDerWaalsContact CD1-CG 3.42Å
353	C	82.7	Confident	74.2	Confident	56 Å²	56	78.9 Å²	78.9	38%	0.378	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.6	3.4	179.3	69.1	0	0	0	0	115.7	C350 K355 H366 H371	C350-C353 PolarHBondContact O-N 2.95Å; C353-K355 PolarHBondContact O-N 3.06Å; C353-K355 VanDerWaalsContact SG-CG 3.55Å; C353-H366 PolarHBondContact SG-NE2 3.24Å; C353-H371 PolarHBondContact SG-NE2 3.14Å; C353-H371 VanDerWaalsContact SG-NE2 3.39Å
354	G	80.5	Confident	75.5	Confident	51 Å²	51	80.8 Å²	80.8	53%	0.526	43%	0.431	S	S	.	.			trans	69.5	-1.3	-179.1	0	0	0	0	0	115.3	C350 Q356	C350-G354 VanDerWaalsContact O-CA 3.28Å; C350-G354 WeakPolarHBondContact O-CA 3.39Å; C350-G354 PolarHBondContact O-N 3.33Å; G354-Q356 PolarHBondContact O-N 3.38Å
355	K	77.6	Confident	76.7	Confident	120 Å²	120	85.1 Å²	85.1	52%	0.522	43%	0.434	S	S	.	.			trans	-64.7	132.2	179.4	-72.6	-179.8	-177	177.7	0	110.5	C350 C353 F357	C350-K355 PolarHBondContact N-O 3.33Å; C353-K355 PolarHBondContact O-N 3.06Å; C353-K355 VanDerWaalsContact SG-CG 3.55Å; K355-F357 HydrophobicContact CB-CE2 3.71Å; K355-F357 HydrophobicContact CB-CZ 4.04Å; K355-F357 WeakPolarHBondContact O-CD2 3.43Å; K355-F357 WeakPolarHBondContact O-CE2 3.39Å
356	Q	76.6	Confident	77.9	Confident	106 Å²	106	80.2 Å²	80.2	50%	0.495	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	137.8	-175.8	-46.6	-174.7	2.7	0	0	111.6	K346 T349 G354	K346-Q356 HydrophobicContact CB-CB 3.52Å; K346-Q356 HydrophobicContact CD-CB 3.49Å; K346-Q356 VanDerWaalsContact CD-CB 3.49Å; K346-Q356 HydrophobicContact CG-CB 4.17Å; T349-Q356 HydrophobicContact CG2-CB 4.34Å; T349-Q356 HydrophobicContact CG2-CG 3.87Å; G354-Q356 PolarHBondContact O-N 3.38Å
357	F	78.1	Confident	79.3	Confident	40 Å²	40	77.6 Å²	77.6	18%	0.175	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	152.7	-174.7	-62.3	-92	0	0	0	111.6	K346 R347 H348 C350 K355 L363 H366	K346-F357 CarbonylContact C-O 3.42Å; K346-F357 WeakPolarHBondContact CA-O 3.49Å; R347-F357 PolarHBondContact N-O 2.71Å; H348-F357 HydrophobicContact CB-CB 4.25Å; H348-F357 PolarHBondContact N-O 3.25Å; H348-F357 VanDerWaalsContact N-O 3.07Å; H348-F357 WeakPolarHBondContact O-CA 3.45Å; H348-F357 WeakPolarHBondContact O-CB 3.26Å; H348-F357 PolarHBondContact O-N 2.98Å; C350-F357 HydrophobicContact CB-CE2 4.26Å; K355-F357 HydrophobicContact CB-CE2 3.71Å; K355-F357 HydrophobicContact CB-CZ 4.04Å; K355-F357 WeakPolarHBondContact O-CD2 3.43Å; K355-F357 WeakPolarHBondContact O-CE2 3.39Å; F357-L363 HydrophobicContact CB-CB 4.18Å; F357-L363 HydrophobicContact CD2-CB 4.05Å; F357-L363 HydrophobicContact CD2-CD1 3.63Å; F357-L363 HydrophobicContact CD2-CG 4.44Å; F357-L363 HydrophobicContact CE2-CD1 3.84Å; F357-L363 HydrophobicContact CG-CB 4.16Å; F357-H366 HydrophobicContact CE1-CB 3.8Å; F357-H366 HydrophobicContact CE2-CB 4.03Å; F357-H366 AromaticContact CE2-CD2 3.39Å; F357-H366 WeakPolarHBondContact CE2-CD2 3.36Å; F357-H366 AromaticContact CE2-CG 3.69Å; F357-H366 HydrophobicContact CZ-CB 3.41Å; F357-H366 VanDerWaalsContact CZ-CB 3.41Å; F357-H366 AromaticContact CZ-CD2 3.41Å; F357-H366 VanDerWaalsContact CZ-CD2 3.41Å; F357-H366 WeakPolarHBondContact CZ-CD2 3.36Å; F357-H366 AromaticContact CZ-CG 3.2Å; F357-H366 AromaticContact CZ-ND1 3.74Å; F357-H366 AromaticContact CZ-NE2 4Å
358	T	74.7	Confident	80.2	Confident	55 Å²	55	70.6 Å²	70.6	34%	0.337	38%	0.383	S	S	.	.	S	Bend	trans	-88.9	-20.7	-177.3	61.6	0	0	0	0	112.7	V340 K346	V340-T358 HydrophobicContact CG2-CG2 3.33Å; K346-T358 HydrophobicContact CG-CG2 4.32Å
359	Q	75.6	Confident	80.8	Confident	93 Å²	93	69.7 Å²	69.7	44%	0.435	39%	0.387	S	S	.	.	S	Bend	trans	-135.3	138.1	-178.2	-60.5	178.6	12.6	0	0	110.8	G361 T362 L363	Q359-G361 PolarHBondContact O-N 3.42Å; Q359-T362 HydrophobicContact CB-CG2 4.39Å; Q359-T362 PolarHBondContact O-N 2.9Å; Q359-T362 PolarHBondContact O-OG1 3.22Å; Q359-L363 PolarHBondContact O-N 3.26Å
360	L	79.5	Confident	81.1	Confident	84 Å²	84	70.1 Å²	70.1	44%	0.44	39%	0.389	S	S	.	.	H	α-helix	trans	-58.1	-37.1	178.6	-174.7	62.4	0	0	0	112.2	H348 T362 L363 K364	H348-L360 PolarHBondContact CD2-N 2.84Å; H348-L360 PolarHBondContact NE2-N 3.43Å; L360-T362 VanDerWaalsContact C-N 3.29Å; L360-T362 PolarHBondContact O-N 3.47Å; L360-L363 HydrophobicContact CD1-CD2 4.34Å; L360-L363 PolarHBondContact O-N 2.81Å; L360-K364 WeakPolarHBondContact O-CG 3.22Å; L360-K364 PolarHBondContact O-N 2.72Å
361	G	80.1	Confident	81.1	Confident	43 Å²	43	72.8 Å²	72.8	44%	0.443	40%	0.401	S	S	.	.	H	α-helix	trans	-62.6	-34	177.3	0	0	0	0	0	113.3	Q359 K365	Q359-G361 PolarHBondContact O-N 3.42Å; G361-K365 WeakPolarHBondContact O-CG 3.49Å; G361-K365 PolarHBondContact O-N 3.47Å
362	T	82.8	Confident	81.2	Confident	54 Å²	54	70.9 Å²	70.9	33%	0.331	39%	0.387	S	S	.	.	H	α-helix	trans	-73.7	-36.6	175.1	53.4	0	0	0	0	112.1	Q359 L360 K365 H366	Q359-T362 HydrophobicContact CB-CG2 4.39Å; Q359-T362 PolarHBondContact O-N 2.9Å; Q359-T362 PolarHBondContact O-OG1 3.22Å; L360-T362 VanDerWaalsContact C-N 3.29Å; L360-T362 PolarHBondContact O-N 3.47Å; T362-K365 PolarHBondContact O-N 2.76Å; T362-H366 WeakPolarHBondContact O-CB 3.47Å; T362-H366 PolarHBondContact O-N 3.38Å
363	L	84.7	Confident	81	Confident	14 Å²	14	72.8 Å²	72.8	7%	0.073	39%	0.391	C	S	.	.	H	α-helix	trans	-62.5	-47	172.4	173.3	62.5	0	0	0	111.1	H348 T349 C350 F357 Q359 L360 K365 H366 I367	H348-L363 HydrophobicContact CB-CB 4.02Å; H348-L363 HydrophobicContact CB-CD2 3.74Å; H348-L363 HydrophobicContact CB-CG 4.47Å; T349-L363 WeakPolarHBondContact O-CD2 3.46Å; C350-L363 HydrophobicContact CB-CD1 3.55Å; F357-L363 HydrophobicContact CB-CB 4.18Å; F357-L363 HydrophobicContact CD2-CB 4.05Å; F357-L363 HydrophobicContact CD2-CD1 3.63Å; F357-L363 HydrophobicContact CD2-CG 4.44Å; F357-L363 HydrophobicContact CE2-CD1 3.84Å; F357-L363 HydrophobicContact CG-CB 4.16Å; Q359-L363 PolarHBondContact O-N 3.26Å; L360-L363 HydrophobicContact CD1-CD2 4.34Å; L360-L363 PolarHBondContact O-N 2.81Å; L363-K365 VanDerWaalsContact C-N 3.34Å; L363-K365 PolarHBondContact O-N 3.14Å; L363-H366 CarbonylContact O-C 3.56Å; L363-H366 WeakPolarHBondContact O-CA 3.46Å; L363-H366 WeakPolarHBondContact O-CB 3.45Å; L363-H366 PolarHBondContact O-N 2.74Å; L363-I367 HydrophobicContact CD1-CD1 3.88Å; L363-I367 HydrophobicContact CD1-CG1 4.01Å; L363-I367 HydrophobicContact CD2-CD1 4.41Å; L363-I367 HydrophobicContact CG-CD1 3.85Å; L363-I367 HydrophobicContact CG-CG1 4.39Å; L363-I367 WeakPolarHBondContact O-CG1 3.48Å; L363-I367 PolarHBondContact O-N 2.88Å
364	K	83.7	Confident	80.9	Confident	138 Å²	138	74.3 Å²	74.3	60%	0.6	39%	0.394	S	S	*	.	H	α-helix	trans	-58.5	-44	177.7	-72.7	-173.3	177.8	-167.6	0	112.4	L360 H366 I367 A368	L360-K364 WeakPolarHBondContact O-CG 3.22Å; L360-K364 PolarHBondContact O-N 2.72Å; K364-H366 VanDerWaalsContact C-N 3.29Å; K364-H366 PolarHBondContact O-N 2.87Å; K364-I367 PolarHBondContact O-N 2.8Å; K364-A368 WeakPolarHBondContact O-CB 3.35Å; K364-A368 PolarHBondContact O-N 3.46Å
365	K	81	Confident	81	Confident	147 Å²	147	78.4 Å²	78.4	64%	0.639	39%	0.394	S	S	*	.	H	α-helix	trans	-62.8	-37.5	174.7	-73	178.4	-178.4	-175.9	0	112.3	G361 T362 L363 G369	G361-K365 WeakPolarHBondContact O-CG 3.49Å; G361-K365 PolarHBondContact O-N 3.47Å; T362-K365 PolarHBondContact O-N 2.76Å; L363-K365 VanDerWaalsContact C-N 3.34Å; L363-K365 PolarHBondContact O-N 3.14Å; K365-G369 PolarHBondContact O-N 3.41Å
366	H	83	Confident	81.2	Confident	20 Å²	20	76.9 Å²	76.9	9%	0.093	40%	0.397	C	S	.	.	H	α-helix	trans	-65.6	-46.5	175.7	165.6	66.7	0	0	0	111.9	C353 F357 T362 L363 K364 G369 V370 H371	C353-H366 PolarHBondContact SG-NE2 3.24Å; F357-H366 HydrophobicContact CE1-CB 3.8Å; F357-H366 HydrophobicContact CE2-CB 4.03Å; F357-H366 AromaticContact CE2-CD2 3.39Å; F357-H366 WeakPolarHBondContact CE2-CD2 3.36Å; F357-H366 AromaticContact CE2-CG 3.69Å; F357-H366 HydrophobicContact CZ-CB 3.41Å; F357-H366 VanDerWaalsContact CZ-CB 3.41Å; F357-H366 AromaticContact CZ-CD2 3.41Å; F357-H366 VanDerWaalsContact CZ-CD2 3.41Å; F357-H366 WeakPolarHBondContact CZ-CD2 3.36Å; F357-H366 AromaticContact CZ-CG 3.2Å; F357-H366 AromaticContact CZ-ND1 3.74Å; F357-H366 AromaticContact CZ-NE2 4Å; T362-H366 WeakPolarHBondContact O-CB 3.47Å; T362-H366 PolarHBondContact O-N 3.38Å; L363-H366 CarbonylContact O-C 3.56Å; L363-H366 WeakPolarHBondContact O-CA 3.46Å; L363-H366 WeakPolarHBondContact O-CB 3.45Å; L363-H366 PolarHBondContact O-N 2.74Å; K364-H366 VanDerWaalsContact C-N 3.29Å; K364-H366 PolarHBondContact O-N 2.87Å; H366-G369 PolarHBondContact O-N 3.04Å; H366-V370 WeakPolarHBondContact ND1-CG2 3.3Å; H366-V370 VanDerWaalsContact O-CB 3.23Å; H366-V370 WeakPolarHBondContact O-CB 3.42Å; H366-V370 WeakPolarHBondContact O-CG2 3.28Å; H366-V370 PolarHBondContact O-N 3.47Å; H366-H371 AromaticContact CE1-NE2 3.86Å; H366-H371 AromaticContact NE2-CD2 3.73Å; H366-H371 AromaticContact NE2-NE2 3.4Å; H366-H371 PolarHBondContact NE2-NE2 3.32Å
367	I	85.3	Confident	81.6	Confident	44 Å²	44	76.4 Å²	76.4	23%	0.226	39%	0.391	C	S	.	.	I	π-helix	trans	-60.1	-52.2	176.7	-65	168.7	0	0	0	110	L363 K364 G369 H371 E372	L363-I367 HydrophobicContact CD1-CD1 3.88Å; L363-I367 HydrophobicContact CD1-CG1 4.01Å; L363-I367 HydrophobicContact CD2-CD1 4.41Å; L363-I367 HydrophobicContact CG-CD1 3.85Å; L363-I367 HydrophobicContact CG-CG1 4.39Å; L363-I367 WeakPolarHBondContact O-CG1 3.48Å; L363-I367 PolarHBondContact O-N 2.88Å; K364-I367 PolarHBondContact O-N 2.8Å; I367-G369 PolarHBondContact O-N 3.09Å; I367-H371 HydrophobicContact CG2-CB 4.44Å; I367-H371 WeakPolarHBondContact O-CA 3.19Å; I367-H371 WeakPolarHBondContact O-CB 3.43Å; I367-H371 PolarHBondContact O-N 3.24Å; I367-E372 HydrophobicContact CG2-CG 4.23Å; I367-E372 PolarHBondContact O-N 3.44Å
368	A	83.7	Confident	81.9	Confident	29 Å²	29	81.5 Å²	81.5	24%	0.24	42%	0.415	C	S	.	.	I	π-helix	trans	-57.7	-46.3	179.3	0	0	0	0	0	112.5	K364 E372 K373 L374	K364-A368 WeakPolarHBondContact O-CB 3.35Å; K364-A368 PolarHBondContact O-N 3.46Å; A368-E372 WeakPolarHBondContact CA-OE2 3.33Å; A368-E372 CarbonylContact O-C 3.57Å; A368-K373 PolarHBondContact O-N 3.29Å; A368-K373 VanDerWaalsContact O-N 3.12Å; A368-L374 HydrophobicContact CB-CD1 4.46Å; A368-L374 PolarHBondContact O-N 2.91Å
369	G	81.9	Confident	82.5	Confident	30 Å²	30	79.4 Å²	79.4	31%	0.309	40%	0.403	S	S	.	.	I	π-helix	trans	-80.2	-35.8	-175.3	0	0	0	0	0	115.1	K365 H366 I367	K365-G369 PolarHBondContact O-N 3.41Å; H366-G369 PolarHBondContact O-N 3.04Å; I367-G369 PolarHBondContact O-N 3.09Å
370	V	82.5	Confident	83	Confident	75 Å²	75	83.1 Å²	83.1	46%	0.455	42%	0.42	S	S	.	.	I	π-helix	trans	-97.5	-43.7	-172.7	-179.7	0	0	0	0	111.9	H366	H366-V370 WeakPolarHBondContact ND1-CG2 3.3Å; H366-V370 VanDerWaalsContact O-CB 3.23Å; H366-V370 WeakPolarHBondContact O-CB 3.42Å; H366-V370 WeakPolarHBondContact O-CG2 3.28Å; H366-V370 PolarHBondContact O-N 3.47Å
371	H	84.5	Confident	83.2	Confident	58 Å²	58	82.9 Å²	82.9	27%	0.269	43%	0.425	S	S	.	.	I	π-helix	trans	-94.2	-49.3	-172.2	-68.7	-68.6	0	0	0	111.9	C350 L352 C353 H366 I367 K373	C350-H371 VanDerWaalsContact SG-CD2 3.57Å; C350-H371 PolarHBondContact SG-NE2 3.4Å; L352-H371 WeakPolarHBondContact CB-CE1 3.28Å; L352-H371 WeakPolarHBondContact CB-ND1 3.42Å; L352-H371 HydrophobicContact CD1-CB 3.48Å; L352-H371 VanDerWaalsContact CD1-CB 3.48Å; L352-H371 VanDerWaalsContact CD1-CG 3.42Å; C353-H371 PolarHBondContact SG-NE2 3.14Å; C353-H371 VanDerWaalsContact SG-NE2 3.39Å; H366-H371 AromaticContact CE1-NE2 3.86Å; H366-H371 AromaticContact NE2-CD2 3.73Å; H366-H371 AromaticContact NE2-NE2 3.4Å; H366-H371 PolarHBondContact NE2-NE2 3.32Å; I367-H371 HydrophobicContact CG2-CB 4.44Å; I367-H371 WeakPolarHBondContact O-CA 3.19Å; I367-H371 WeakPolarHBondContact O-CB 3.43Å; I367-H371 PolarHBondContact O-N 3.24Å; H371-K373 VanDerWaalsContact C-N 3.28Å
372	E	85.3	Confident	83.3	Confident	113 Å²	113	82.4 Å²	82.4	53%	0.528	42%	0.415	S	S	.	.	S	Bend	trans	-82.5	-12.1	177.7	-57	170.7	177.9	0	0	111.8	I367 A368 L374	I367-E372 HydrophobicContact CG2-CG 4.23Å; I367-E372 PolarHBondContact O-N 3.44Å; A368-E372 WeakPolarHBondContact CA-OE2 3.33Å; A368-E372 CarbonylContact O-C 3.57Å; E372-L374 HydrophobicContact CB-CD1 4.16Å; E372-L374 HydrophobicContact CB-CG 3.76Å; E372-L374 PolarHBondContact O-N 2.88Å; E372-L374 WeakPolarHBondContact OE2-CD1 2.91Å
373	K	78.2	Confident	83.5	Confident	158 Å²	158	86.3 Å²	86.3	69%	0.687	44%	0.441	S	S	*	.			trans	49.2	27.1	-175.3	-62.3	177.3	-177.5	170.5	0	112.9	A368 H371 R375	A368-K373 PolarHBondContact O-N 3.29Å; A368-K373 VanDerWaalsContact O-N 3.12Å; H371-K373 VanDerWaalsContact C-N 3.28Å; K373-R375 PolarHBondContact O-N 2.84Å
374	L	79.6	Confident	83.3	Confident	88 Å²	88	88 Å²	88	46%	0.461	45%	0.454	S	S	.	.			trans	-63.9	123.8	175.9	-66.4	179.9	0	0	0	108.3	A368 E372 P376	A368-L374 HydrophobicContact CB-CD1 4.46Å; A368-L374 PolarHBondContact O-N 2.91Å; E372-L374 HydrophobicContact CB-CD1 4.16Å; E372-L374 HydrophobicContact CB-CG 3.76Å; E372-L374 PolarHBondContact O-N 2.88Å; E372-L374 WeakPolarHBondContact OE2-CD1 2.91Å; L374-P376 VanDerWaalsContact C-CD 3.45Å; L374-P376 HydrophobicContact CB-CG 4.4Å; L374-P376 WeakPolarHBondContact O-CD 3.37Å
375	R	82	Confident	83.4	Confident	137 Å²	137	82.7 Å²	82.7	52%	0.517	44%	0.436	S	S	.	.			trans	-121.2	71.4	174.6	-72.6	174.4	172.3	-95	-3	109	K373 Y377 A385 F386	K373-R375 PolarHBondContact O-N 2.84Å; R375-Y377 PolarHBondContact O-N 3.48Å; R375-Y377 VanDerWaalsContact O-N 3.14Å; R375-A385 HydrophobicContact CB-CB 3.63Å; R375-A385 WeakPolarHBondContact CD-O 3.45Å; R375-A385 PolarHBondContact NH1-O 2.94Å; R375-F386 CarbonylContact C-O 3.41Å; R375-F386 WeakPolarHBondContact CA-O 3.24Å
376	P	82.6	Confident	83.5	Confident	89 Å²	89	77.1 Å²	77.1	58%	0.578	41%	0.412	S	S	*	.			trans	-66.7	-17.8	-171.1	-18.7	33.1	0	0	0	113.5	L374	L374-P376 VanDerWaalsContact C-CD 3.45Å; L374-P376 HydrophobicContact CB-CG 4.4Å; L374-P376 WeakPolarHBondContact O-CD 3.37Å
377	Y	85.8	Confident	83.5	Confident	96 Å²	96	77.3 Å²	77.3	38%	0.376	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	94.1	-172.8	-56	-72.3	0	0	0	110.1	R375 A385 F386 G387 T388 T389	R375-Y377 PolarHBondContact O-N 3.48Å; R375-Y377 VanDerWaalsContact O-N 3.14Å; Y377-A385 CarbonylContact O-C 3.15Å; Y377-A385 WeakPolarHBondContact O-CA 3.36Å; Y377-F386 PolarHBondContact N-O 2.92Å; Y377-F386 VanDerWaalsContact N-O 3.15Å; Y377-F386 PolarHBondContact O-N 3.17Å; Y377-G387 WeakPolarHBondContact CE2-O 3.36Å; Y377-T388 VanDerWaalsContact CD2-C 3.44Å; Y377-T389 HydrophobicContact CD1-CG2 3.66Å; Y377-T389 HydrophobicContact CD2-CG2 4.47Å; Y377-T389 HydrophobicContact CE1-CG2 3.28Å; Y377-T389 HydrophobicContact CE2-CG2 4.15Å; Y377-T389 HydrophobicContact CG-CG2 4.24Å
378	Q	84.2	Confident	83.3	Confident	147 Å²	147	77.2 Å²	77.2	69%	0.687	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	144.3	177.6	-62.7	179.8	2	0	0	111	A385	Q378-A385 HydrophobicContact CG-CB 4.14Å
379	C	86.1	Confident	83.4	Confident	10 Å²	10	79.7 Å²	79.7	7%	0.068	43%	0.433	C	S	.	.			trans	-79.7	133.3	167.7	-167.8	0	0	0	0	109.6	S381 S384 L392 H395 H400	C379-S381 VanDerWaalsContact C-N 3.26Å; C379-S384 WeakPolarHBondContact CB-O 3.4Å; C379-S384 PolarHBondContact N-O 3.17Å; C379-L392 HydrophobicContact CB-CD1 3.78Å; C379-H395 VanDerWaalsContact SG-CD2 3.56Å; C379-H395 PolarHBondContact SG-NE2 3.39Å; C379-H395 VanDerWaalsContact SG-NE2 3.39Å; C379-H400 VanDerWaalsContact SG-CD2 3.57Å; C379-H400 PolarHBondContact SG-NE2 3.44Å
380	E	86.4	Confident	83.4	Confident	172 Å²	172	81.7 Å²	81.7	80%	0.804	44%	0.442	S	S	*	.	S	Bend	trans	-75.5	-21.5	176.5	-65.6	149.1	157.9	0	0	111.7	K396	E380-K396 IonicContact OE2-NZ 3.96Å; E380-K396 PolarHBondContact OE2-NZ 3.02Å
381	S	83.5	Confident	83.3	Confident	79 Å²	79	81.4 Å²	81.4	55%	0.552	44%	0.436	S	S	*	.	S	Bend	trans	-98.5	-8.2	-174.8	-52.5	0	0	0	0	113.5	C379 H400	C379-S381 VanDerWaalsContact C-N 3.26Å; S381-H400 WeakPolarHBondContact CB-CE1 3.46Å; S381-H400 WeakPolarHBondContact CB-NE2 3.2Å
382	C	83.6	Confident	83.4	Confident	32 Å²	32	79.9 Å²	79.9	22%	0.216	43%	0.43	C	S	.	.	S	Bend	trans	-158.3	166.4	171.9	77	0	0	0	0	112.2	S384 H395	C382-S384 PolarHBondContact O-N 2.91Å; C382-S384 WeakPolarHBondContact SG-CB 3.46Å; C382-S384 PolarHBondContact SG-N 2.85Å; C382-S384 PolarHBondContact SG-OG 3.04Å; C382-H395 PolarHBondContact SG-CE1 3.02Å; C382-H395 PolarHBondContact SG-NE2 2.73Å
383	P	85.9	Confident	83.3	Confident	137 Å²	137	81 Å²	81	89%	0.89	43%	0.429	S	S	*	.	S	Bend	trans	-65.4	3.6	-180	-22.1	34.3	0	0	0	116.1
384	S	81.7	Confident	83.4	Confident	48 Å²	48	78.6 Å²	78.6	34%	0.336	42%	0.416	S	S	.	.			trans	-75.4	130.7	-175.6	-61.3	0	0	0	0	111.7	C379 C382	C379-S384 WeakPolarHBondContact CB-O 3.4Å; C379-S384 PolarHBondContact N-O 3.17Å; C382-S384 PolarHBondContact O-N 2.91Å; C382-S384 WeakPolarHBondContact SG-CB 3.46Å; C382-S384 PolarHBondContact SG-N 2.85Å; C382-S384 PolarHBondContact SG-OG 3.04Å
385	A	84.9	Confident	83.5	Confident	27 Å²	27	75.5 Å²	75.5	22%	0.223	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	147.5	174.5	0	0	0	0	0	111.2	R375 Y377 Q378	R375-A385 HydrophobicContact CB-CB 3.63Å; R375-A385 WeakPolarHBondContact CD-O 3.45Å; R375-A385 PolarHBondContact NH1-O 2.94Å; Y377-A385 CarbonylContact O-C 3.15Å; Y377-A385 WeakPolarHBondContact O-CA 3.36Å; Q378-A385 HydrophobicContact CG-CB 4.14Å
386	F	84	Confident	83.6	Confident	30 Å²	30	71.3 Å²	71.3	13%	0.132	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	152.1	-173.7	-57.6	-83.2	0	0	0	112.6	R375 Y377 E391 L392 H395	R375-F386 CarbonylContact C-O 3.41Å; R375-F386 WeakPolarHBondContact CA-O 3.24Å; Y377-F386 PolarHBondContact N-O 2.92Å; Y377-F386 VanDerWaalsContact N-O 3.15Å; Y377-F386 PolarHBondContact O-N 3.17Å; F386-E391 HydrophobicContact CB-CB 3.83Å; F386-E391 HydrophobicContact CD1-CB 3.79Å; F386-E391 HydrophobicContact CG-CB 4.04Å; F386-L392 HydrophobicContact CB-CB 4.27Å; F386-L392 HydrophobicContact CD2-CB 3.87Å; F386-L392 HydrophobicContact CD2-CD1 3.73Å; F386-L392 HydrophobicContact CD2-CG 4.42Å; F386-L392 HydrophobicContact CE2-CD1 3.96Å; F386-L392 HydrophobicContact CG-CB 4.29Å; F386-H395 HydrophobicContact CD2-CB 4.47Å; F386-H395 HydrophobicContact CE1-CB 3.89Å; F386-H395 HydrophobicContact CE2-CB 3.61Å; F386-H395 AromaticContact CE2-CD2 3.48Å; F386-H395 VanDerWaalsContact CE2-CD2 3.48Å; F386-H395 WeakPolarHBondContact CE2-CD2 3.44Å; F386-H395 AromaticContact CE2-CG 3.44Å; F386-H395 VanDerWaalsContact CE2-CG 3.44Å; F386-H395 HydrophobicContact CZ-CB 3.28Å; F386-H395 AromaticContact CZ-CD2 3.7Å; F386-H395 AromaticContact CZ-CG 3.18Å; F386-H395 AromaticContact CZ-ND1 3.49Å; F386-H395 WeakPolarHBondContact CZ-ND1 3.43Å
387	G	81.3	Confident	83.5	Confident	24 Å²	24	68.6 Å²	68.6	25%	0.247	36%	0.364	C	S	.	.	S	Bend	trans	-80.7	-21.2	-179.7	0	0	0	0	0	113	Y377 E391	Y377-G387 WeakPolarHBondContact CE2-O 3.36Å; G387-E391 PolarHBondContact N-OE2 3.49Å; G387-E391 VanDerWaalsContact N-OE2 3.16Å
388	T	82.2	Confident	82.9	Confident	42 Å²	42	66.4 Å²	66.4	26%	0.258	36%	0.359	S	S	.	.	S	Bend	trans	-134.8	152.4	178.3	67.3	0	0	0	0	112.8	Y377 S390 E391 L392	Y377-T388 VanDerWaalsContact CD2-C 3.44Å; T388-S390 PolarHBondContact O-N 3.33Å; T388-E391 PolarHBondContact N-OE2 2.83Å; T388-E391 PolarHBondContact O-N 2.89Å; T388-E391 VanDerWaalsContact OG1-CG 3.24Å; T388-E391 WeakPolarHBondContact OG1-CG 3.05Å; T388-E391 PolarHBondContact OG1-N 3.48Å; T388-E391 PolarHBondContact OG1-OE2 3.3Å; T388-E391 VanDerWaalsContact OG1-OE2 3.11Å; T388-L392 PolarHBondContact O-N 2.88Å
389	T	85	Confident	82.7	Confident	82 Å²	82	63.8 Å²	63.8	50%	0.503	35%	0.352	S	S	.	.	H	α-helix	trans	-59.9	-29.9	174.2	52.8	0	0	0	0	113.2	Y377 R393	Y377-T389 HydrophobicContact CD1-CG2 3.66Å; Y377-T389 HydrophobicContact CD2-CG2 4.47Å; Y377-T389 HydrophobicContact CE1-CG2 3.28Å; Y377-T389 HydrophobicContact CE2-CG2 4.15Å; Y377-T389 HydrophobicContact CG-CG2 4.24Å; T389-R393 WeakPolarHBondContact O-CB 3.48Å; T389-R393 PolarHBondContact O-N 3.16Å
390	S	82.2	Confident	82.4	Confident	72 Å²	72	66.7 Å²	66.7	50%	0.503	37%	0.365	S	S	.	.	H	α-helix	trans	-69.5	-36.1	178.9	-61	0	0	0	0	112.2	T388 R394	T388-S390 PolarHBondContact O-N 3.33Å; S390-R394 WeakPolarHBondContact O-CB 3.47Å; S390-R394 PolarHBondContact O-N 3.26Å
391	E	81.2	Confident	81.8	Confident	68 Å²	68	64.7 Å²	64.7	32%	0.318	36%	0.356	S	S	.	.	H	α-helix	trans	-69.7	-43	174.5	-71.5	162	165.6	0	0	111.6	F386 G387 T388 R394 H395	F386-E391 HydrophobicContact CB-CB 3.83Å; F386-E391 HydrophobicContact CD1-CB 3.79Å; F386-E391 HydrophobicContact CG-CB 4.04Å; G387-E391 PolarHBondContact N-OE2 3.49Å; G387-E391 VanDerWaalsContact N-OE2 3.16Å; T388-E391 PolarHBondContact N-OE2 2.83Å; T388-E391 PolarHBondContact O-N 2.89Å; T388-E391 VanDerWaalsContact OG1-CG 3.24Å; T388-E391 WeakPolarHBondContact OG1-CG 3.05Å; T388-E391 PolarHBondContact OG1-N 3.48Å; T388-E391 PolarHBondContact OG1-OE2 3.3Å; T388-E391 VanDerWaalsContact OG1-OE2 3.11Å; E391-R394 PolarHBondContact O-N 3.16Å; E391-H395 WeakPolarHBondContact O-CB 3.41Å; E391-H395 PolarHBondContact O-N 2.79Å
392	L	85.6	Confident	80.7	Confident	26 Å²	26	64 Å²	64	14%	0.136	36%	0.361	C	S	.	.	H	α-helix	trans	-61.5	-46.3	174.6	174.8	61.9	0	0	0	111.5	C379 F386 T388 R394 H395 K396	C379-L392 HydrophobicContact CB-CD1 3.78Å; F386-L392 HydrophobicContact CB-CB 4.27Å; F386-L392 HydrophobicContact CD2-CB 3.87Å; F386-L392 HydrophobicContact CD2-CD1 3.73Å; F386-L392 HydrophobicContact CD2-CG 4.42Å; F386-L392 HydrophobicContact CE2-CD1 3.96Å; F386-L392 HydrophobicContact CG-CB 4.29Å; T388-L392 PolarHBondContact O-N 2.88Å; L392-R394 PolarHBondContact O-N 3.33Å; L392-H395 WeakPolarHBondContact O-CB 3.5Å; L392-H395 PolarHBondContact O-N 3.12Å; L392-H395 VanDerWaalsContact O-N 3.16Å; L392-K396 HydrophobicContact CD1-CG 4.29Å; L392-K396 PolarHBondContact O-N 3.15Å
393	R	83.6	Confident	79.4	Confident	138 Å²	138	64.8 Å²	64.8	52%	0.521	37%	0.374	S	S	.	.	H	α-helix	trans	-57.9	-49.1	176	-177.2	-177.8	62.9	81.1	5.9	111	T389 H395 K396 E397	T389-R393 WeakPolarHBondContact O-CB 3.48Å; T389-R393 PolarHBondContact O-N 3.16Å; R393-H395 VanDerWaalsContact C-N 3.26Å; R393-H395 PolarHBondContact O-N 2.79Å; R393-K396 PolarHBondContact O-N 2.98Å; R393-E397 WeakPolarHBondContact CD-OE1 3.36Å; R393-E397 HydrophobicContact CG-CG 4.43Å; R393-E397 VanDerWaalsContact CG-OE1 3.27Å; R393-E397 WeakPolarHBondContact CG-OE1 3.44Å; R393-E397 IonicContact CZ-OE1 2.93Å; R393-E397 IonicContact CZ-OE2 2.63Å; R393-E397 IonicContact NE-OE1 3.93Å; R393-E397 IonicContact NH1-OE1 3.95Å; R393-E397 PolarHBondContact NH1-OE1 3.17Å; R393-E397 IonicContact NH1-OE2 3.62Å; R393-E397 PolarHBondContact NH1-OE2 3.11Å; R393-E397 WeakPolarHBondContact O-CB 3.32Å; R393-E397 WeakPolarHBondContact O-CG 3.48Å; R393-E397 PolarHBondContact O-N 3.36Å
394	R	80.4	Confident	78	Confident	107 Å²	107	62.7 Å²	62.7	40%	0.404	36%	0.356	S	S	.	.	H	α-helix	trans	-60.9	-36.5	177.1	-178	174.7	64.5	172.1	-1.2	111.8	S390 E391 L392 N398	S390-R394 WeakPolarHBondContact O-CB 3.47Å; S390-R394 PolarHBondContact O-N 3.26Å; E391-R394 PolarHBondContact O-N 3.16Å; L392-R394 PolarHBondContact O-N 3.33Å; R394-N398 VanDerWaalsContact CG-ND2 3.28Å; R394-N398 WeakPolarHBondContact CG-ND2 3.33Å; R394-N398 WeakPolarHBondContact O-CB 3.33Å; R394-N398 PolarHBondContact O-N 3.15Å; R394-N398 VanDerWaalsContact O-N 3.13Å; R394-N398 PolarHBondContact O-ND2 3.12Å
395	H	82.1	Confident	77.1	Confident	22 Å²	22	62.6 Å²	62.6	10%	0.102	36%	0.358	C	S	.	.	H	α-helix	trans	-65.8	-47.8	175.1	165.3	78.3	0	0	0	111.8	C379 C382 F386 E391 L392 R393 E397 N398 V399 H400	C379-H395 VanDerWaalsContact SG-CD2 3.56Å; C379-H395 PolarHBondContact SG-NE2 3.39Å; C379-H395 VanDerWaalsContact SG-NE2 3.39Å; C382-H395 PolarHBondContact SG-CE1 3.02Å; C382-H395 PolarHBondContact SG-NE2 2.73Å; F386-H395 HydrophobicContact CD2-CB 4.47Å; F386-H395 HydrophobicContact CE1-CB 3.89Å; F386-H395 HydrophobicContact CE2-CB 3.61Å; F386-H395 AromaticContact CE2-CD2 3.48Å; F386-H395 VanDerWaalsContact CE2-CD2 3.48Å; F386-H395 WeakPolarHBondContact CE2-CD2 3.44Å; F386-H395 AromaticContact CE2-CG 3.44Å; F386-H395 VanDerWaalsContact CE2-CG 3.44Å; F386-H395 HydrophobicContact CZ-CB 3.28Å; F386-H395 AromaticContact CZ-CD2 3.7Å; F386-H395 AromaticContact CZ-CG 3.18Å; F386-H395 AromaticContact CZ-ND1 3.49Å; F386-H395 WeakPolarHBondContact CZ-ND1 3.43Å; E391-H395 WeakPolarHBondContact O-CB 3.41Å; E391-H395 PolarHBondContact O-N 2.79Å; L392-H395 WeakPolarHBondContact O-CB 3.5Å; L392-H395 PolarHBondContact O-N 3.12Å; L392-H395 VanDerWaalsContact O-N 3.16Å; R393-H395 VanDerWaalsContact C-N 3.26Å; R393-H395 PolarHBondContact O-N 2.79Å; H395-E397 PolarHBondContact O-N 3.49Å; H395-N398 PolarHBondContact O-N 3.28Å; H395-V399 WeakPolarHBondContact O-CB 3.49Å; H395-V399 WeakPolarHBondContact O-CG2 3.37Å; H395-V399 PolarHBondContact O-N 3.31Å; H395-H400 AromaticContact CE1-NE2 3.94Å; H395-H400 AromaticContact NE2-CD2 3.8Å; H395-H400 AromaticContact NE2-NE2 3.26Å; H395-H400 PolarHBondContact NE2-NE2 2.96Å
396	K	83.6	Confident	76.2	Confident	50 Å²	50	68.3 Å²	68.3	22%	0.217	37%	0.374	C	S	.	.	I	π-helix	trans	-57.5	-47.9	175.4	-72	-169.8	171.2	-165.7	0	111.5	E380 L392 R393 N398 H400 E401	E380-K396 IonicContact OE2-NZ 3.96Å; E380-K396 PolarHBondContact OE2-NZ 3.02Å; L392-K396 HydrophobicContact CD1-CG 4.29Å; L392-K396 PolarHBondContact O-N 3.15Å; R393-K396 PolarHBondContact O-N 2.98Å; K396-N398 VanDerWaalsContact C-N 3.31Å; K396-N398 PolarHBondContact O-N 3.49Å; K396-H400 WeakPolarHBondContact O-CA 3.48Å; K396-H400 WeakPolarHBondContact O-CB 3.29Å; K396-H400 PolarHBondContact O-N 3.15Å; K396-E401 PolarHBondContact O-N 3.47Å
397	E	80.1	Confident	75.5	Confident	31 Å²	31	74.6 Å²	74.6	15%	0.145	40%	0.401	C	S	.	.	I	π-helix	trans	-60.2	-36.7	179.5	-75	170.6	-175.9	0	0	113.4	R393 H395 G402 G403	R393-E397 WeakPolarHBondContact CD-OE1 3.36Å; R393-E397 HydrophobicContact CG-CG 4.43Å; R393-E397 VanDerWaalsContact CG-OE1 3.27Å; R393-E397 WeakPolarHBondContact CG-OE1 3.44Å; R393-E397 IonicContact CZ-OE1 2.93Å; R393-E397 IonicContact CZ-OE2 2.63Å; R393-E397 IonicContact NE-OE1 3.93Å; R393-E397 IonicContact NH1-OE1 3.95Å; R393-E397 PolarHBondContact NH1-OE1 3.17Å; R393-E397 IonicContact NH1-OE2 3.62Å; R393-E397 PolarHBondContact NH1-OE2 3.11Å; R393-E397 WeakPolarHBondContact O-CB 3.32Å; R393-E397 WeakPolarHBondContact O-CG 3.48Å; R393-E397 PolarHBondContact O-N 3.36Å; H395-E397 PolarHBondContact O-N 3.49Å; E397-G402 PolarHBondContact O-N 3.36Å; E397-G403 PolarHBondContact O-N 3.44Å
398	N	74.1	Confident	75.3	Confident	51 Å²	51	73.8 Å²	73.8	27%	0.273	39%	0.391	S	S	.	.	I	π-helix	trans	-91.5	-34.2	-175.2	-65.2	-33.4	0	0	0	114.3	R394 H395 K396 N416	R394-N398 VanDerWaalsContact CG-ND2 3.28Å; R394-N398 WeakPolarHBondContact CG-ND2 3.33Å; R394-N398 WeakPolarHBondContact O-CB 3.33Å; R394-N398 PolarHBondContact O-N 3.15Å; R394-N398 VanDerWaalsContact O-N 3.13Å; R394-N398 PolarHBondContact O-ND2 3.12Å; H395-N398 PolarHBondContact O-N 3.28Å; K396-N398 VanDerWaalsContact C-N 3.31Å; K396-N398 PolarHBondContact O-N 3.49Å; N398-N416 WeakPolarHBondContact ND2-CB 3.29Å; N398-N416 PolarHBondContact ND2-ND2 3.12Å; N398-N416 WeakPolarHBondContact OD1-CB 3.37Å
399	V	79.1	Confident	74.9	Confident	91 Å²	91	82 Å²	82	55%	0.552	42%	0.418	S	S	*	.	I	π-helix	trans	-100.4	-36.8	-171	-178.8	0	0	0	0	111.4	H395	H395-V399 WeakPolarHBondContact O-CB 3.49Å; H395-V399 WeakPolarHBondContact O-CG2 3.37Å; H395-V399 PolarHBondContact O-N 3.31Å
400	H	80.9	Confident	74.2	Confident	71 Å²	71	85.9 Å²	85.9	33%	0.329	42%	0.424	S	S	.	.	I	π-helix	trans	-106.1	-38.5	-173.2	-60.9	-56.4	0	0	0	112.7	C379 S381 H395 K396	C379-H400 VanDerWaalsContact SG-CD2 3.57Å; C379-H400 PolarHBondContact SG-NE2 3.44Å; S381-H400 WeakPolarHBondContact CB-CE1 3.46Å; S381-H400 WeakPolarHBondContact CB-NE2 3.2Å; H395-H400 AromaticContact CE1-NE2 3.94Å; H395-H400 AromaticContact NE2-CD2 3.8Å; H395-H400 AromaticContact NE2-NE2 3.26Å; H395-H400 PolarHBondContact NE2-NE2 2.96Å; K396-H400 WeakPolarHBondContact O-CA 3.48Å; K396-H400 WeakPolarHBondContact O-CB 3.29Å; K396-H400 PolarHBondContact O-N 3.15Å
401	E	72.1	Confident	73.9	Confident	131 Å²	131	84.1 Å²	84.1	61%	0.612	41%	0.411	S	S	*	.	S	Bend	trans	-101.9	-6.9	-172	-63.4	169.9	-178.5	0	0	113.4	K396 G403	K396-E401 PolarHBondContact O-N 3.47Å; E401-G403 WeakPolarHBondContact O-CA 3.32Å; E401-G403 PolarHBondContact O-N 2.79Å
402	G	61	Low	73.4	Confident	64 Å²	64	88.5 Å²	88.5	66%	0.66	44%	0.437	S	S	*	.			trans	54.6	13.7	177.6	0	0	0	0	0	115.2	E397	E397-G402 PolarHBondContact O-N 3.36Å
403	G	56.7	Low	72.9	Confident	49 Å²	49	92.9 Å²	92.9	51%	0.505	46%	0.457	S	S	.	.			trans	-104.2	-7.1	-143.3	0	0	0	0	0	116.7	E397 E401	E397-G403 PolarHBondContact O-N 3.44Å; E401-G403 WeakPolarHBondContact O-CA 3.32Å; E401-G403 PolarHBondContact O-N 2.79Å
404	N	56.8	Low	72.3	Confident	92 Å²	92	91.5 Å²	91.5	49%	0.492	46%	0.459	S	S	.	.			trans	-139	33.1	-173.5	-79.2	-43.6	0	0	0	114.1	R406	N404-R406 PolarHBondContact O-N 2.84Å
405	A	62.9	Low	71.9	Confident	46 Å²	46	87.8 Å²	87.8	38%	0.38	45%	0.446	S	S	.	.			trans	-69.1	115.9	170.2	0	0	0	0	0	111.2	K407 L414 F415	A405-K407 PolarHBondContact O-N 3.05Å; A405-L414 HydrophobicContact CB-CB 3.74Å; A405-L414 HydrophobicContact CB-CD1 3.83Å; A405-L414 HydrophobicContact CB-CD2 3.84Å; A405-L414 HydrophobicContact CB-CG 3.98Å; A405-F415 CarbonylContact C-O 3.48Å
406	R	66.1	Low	71.3	Confident	148 Å²	148	89.8 Å²	89.8	56%	0.558	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	110.2	171.1	-56.6	-73.4	-90.4	161.1	-6	107.9	N404 F415 L421	N404-R406 PolarHBondContact O-N 2.84Å; R406-F415 WeakPolarHBondContact CB-O 3.3Å; R406-F415 PolarHBondContact N-O 3.31Å; R406-F415 PolarHBondContact O-N 3.11Å; R406-L421 HydrophobicContact CB-CD2 4.06Å
407	K	69.5	Low	70.8	Confident	162 Å²	162	88.8 Å²	88.8	70%	0.704	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	142.6	175.8	65	-179.4	-178.9	179.8	0	112.1	A405 E413 L414	A405-K407 PolarHBondContact O-N 3.05Å; K407-E413 WeakPolarHBondContact CA-O 3.44Å; K407-L414 HydrophobicContact CB-CD2 3.78Å
408	C	76.2	Confident	70.6	Confident	6 Å²	6	90.6 Å²	90.6	4%	0.041	47%	0.469	C	S	.	.			trans	-64.7	150.9	163	-179.2	0	0	0	0	110.5	Y410 C411 E413 F415 L421 H424 H429	C408-Y410 PolarHBondContact SG-N 3.38Å; C408-Y410 VanDerWaalsContact SG-N 3.35Å; C408-C411 CarbonylContact C-O 3.55Å; C408-C411 VanDerWaalsContact CB-O 3.31Å; C408-C411 WeakPolarHBondContact CB-O 3.38Å; C408-C411 WeakPolarHBondContact CB-SG 3.37Å; C408-C411 VanDerWaalsContact SG-SG 3.67Å; C408-E413 PolarHBondContact N-O 3.5Å; C408-F415 HydrophobicContact CB-CE2 4.09Å; C408-L421 HydrophobicContact CB-CD1 4.04Å; C408-H424 WeakPolarHBondContact CB-NE2 3.26Å; C408-H424 VanDerWaalsContact SG-CD2 3.6Å; C408-H424 PolarHBondContact SG-NE2 3.37Å; C408-H429 PolarHBondContact SG-CD2 2.73Å; C408-H429 PolarHBondContact SG-NE2 3.14Å
409	R	73.2	Confident	70.8	Confident	216 Å²	216	93.4 Å²	93.4	82%	0.815	48%	0.483	S	S	*	.	S	Bend	trans	-79.8	-27.7	176.9	-176	175.2	176.9	152.9	0.8	112.3	M425	R409-M425 HydrophobicContact CB-CE 3.94Å
410	Y	70.5	Confident	70.8	Confident	163 Å²	163	91.9 Å²	91.9	64%	0.639	47%	0.472	S	S	*	.	S	Bend	trans	-106.6	-11	-172.5	-59.3	-75.4	0	0	0	112.9	C408 M425 H429	C408-Y410 PolarHBondContact SG-N 3.38Å; C408-Y410 VanDerWaalsContact SG-N 3.35Å; Y410-M425 HydrophobicContact CD2-CE 3.99Å; Y410-M425 HydrophobicContact CD2-SD 3.79Å; Y410-M425 HydrophobicContact CE2-CE 4.19Å; Y410-M425 HydrophobicContact CE2-SD 4.16Å; Y410-H429 WeakPolarHBondContact CB-CE1 3.11Å; Y410-H429 VanDerWaalsContact CB-ND1 3.31Å; Y410-H429 WeakPolarHBondContact CB-ND1 3.01Å; Y410-H429 HydrophobicContact CD2-CB 3.93Å; Y410-H429 AromaticContact CD2-CG 3.86Å; Y410-H429 HydrophobicContact CG-CB 4.46Å
411	C	77.3	Confident	70.7	Confident	35 Å²	35	89.8 Å²	89.8	24%	0.236	46%	0.463	C	S	.	.	S	Bend	trans	-147.6	169.4	171.8	74.4	0	0	0	0	110.3	C408 E413 H424 H429	C408-C411 CarbonylContact C-O 3.55Å; C408-C411 VanDerWaalsContact CB-O 3.31Å; C408-C411 WeakPolarHBondContact CB-O 3.38Å; C408-C411 WeakPolarHBondContact CB-SG 3.37Å; C408-C411 VanDerWaalsContact SG-SG 3.67Å; C411-E413 PolarHBondContact O-N 2.81Å; C411-E413 VanDerWaalsContact SG-CB 3.57Å; C411-E413 VanDerWaalsContact SG-CG 3.56Å; C411-H424 PolarHBondContact SG-CE1 3.01Å; C411-H424 PolarHBondContact SG-NE2 2.8Å; C411-H429 PolarHBondContact SG-NE2 3.29Å; C411-H429 VanDerWaalsContact SG-NE2 3.39Å
412	N	70.5	Confident	70.9	Confident	160 Å²	160	89.5 Å²	89.5	86%	0.856	46%	0.46	S	S	*	.			trans	-86.3	13.5	-177.2	-65.8	-29.1	0	0	0	113.6
413	E	73.6	Confident	71.4	Confident	117 Å²	117	89.7 Å²	89.7	55%	0.547	44%	0.444	S	S	.	.			trans	-69.8	137.3	177.9	-66.8	-66.9	148	0	0	111.4	K407 C408 C411 F415	K407-E413 WeakPolarHBondContact CA-O 3.44Å; C408-E413 PolarHBondContact N-O 3.5Å; C411-E413 PolarHBondContact O-N 2.81Å; C411-E413 VanDerWaalsContact SG-CB 3.57Å; C411-E413 VanDerWaalsContact SG-CG 3.56Å; E413-F415 HydrophobicContact CB-CE2 3.51Å; E413-F415 HydrophobicContact CB-CZ 3.55Å; E413-F415 WeakPolarHBondContact O-CE2 3.39Å
414	L	71	Confident	72.5	Confident	110 Å²	110	88.3 Å²	88.3	58%	0.576	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	125.5	-172.5	-77.2	-170.9	0	0	0	110.5	A405 K407	A405-L414 HydrophobicContact CB-CB 3.74Å; A405-L414 HydrophobicContact CB-CD1 3.83Å; A405-L414 HydrophobicContact CB-CD2 3.84Å; A405-L414 HydrophobicContact CB-CG 3.98Å; K407-L414 HydrophobicContact CB-CD2 3.78Å
415	F	73.2	Confident	73.3	Confident	28 Å²	28	86.2 Å²	86.2	12%	0.123	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.3	-175.3	-62.1	-80.2	0	0	0	112.4	A405 R406 C408 E413 N420 L421 H424	A405-F415 CarbonylContact C-O 3.48Å; R406-F415 WeakPolarHBondContact CB-O 3.3Å; R406-F415 PolarHBondContact N-O 3.31Å; R406-F415 PolarHBondContact O-N 3.11Å; C408-F415 HydrophobicContact CB-CE2 4.09Å; E413-F415 HydrophobicContact CB-CE2 3.51Å; E413-F415 HydrophobicContact CB-CZ 3.55Å; E413-F415 WeakPolarHBondContact O-CE2 3.39Å; F415-N420 HydrophobicContact CB-CB 4.36Å; F415-N420 HydrophobicContact CD1-CB 3.95Å; F415-L421 HydrophobicContact CB-CB 3.86Å; F415-L421 HydrophobicContact CD2-CB 4.11Å; F415-L421 HydrophobicContact CD2-CD1 3.5Å; F415-L421 VanDerWaalsContact CD2-CD1 3.5Å; F415-L421 HydrophobicContact CD2-CG 4.39Å; F415-L421 HydrophobicContact CE2-CD1 4Å; F415-L421 HydrophobicContact CG-CB 4Å; F415-L421 HydrophobicContact CG-CD1 4.26Å; F415-H424 HydrophobicContact CD1-CB 4.13Å; F415-H424 HydrophobicContact CD2-CB 4.48Å; F415-H424 HydrophobicContact CE1-CB 3.37Å; F415-H424 AromaticContact CE1-CG 3.73Å; F415-H424 HydrophobicContact CE2-CB 3.78Å; F415-H424 AromaticContact CE2-CD2 3.35Å; F415-H424 WeakPolarHBondContact CE2-CD2 3.41Å; F415-H424 AromaticContact CE2-CG 3.41Å; F415-H424 VanDerWaalsContact CE2-CG 3.41Å; F415-H424 AromaticContact CE2-ND1 3.91Å; F415-H424 AromaticContact CE2-NE2 3.82Å; F415-H424 HydrophobicContact CZ-CB 3.2Å; F415-H424 AromaticContact CZ-CD2 3.47Å; F415-H424 VanDerWaalsContact CZ-CD2 3.47Å; F415-H424 WeakPolarHBondContact CZ-CD2 3.4Å; F415-H424 AromaticContact CZ-CE1 3.77Å; F415-H424 AromaticContact CZ-CG 2.98Å; F415-H424 AromaticContact CZ-ND1 3.23Å; F415-H424 WeakPolarHBondContact CZ-ND1 3.43Å; F415-H424 AromaticContact CZ-NE2 3.92Å
416	N	69.8	Low	73.8	Confident	65 Å²	65	87.2 Å²	87.2	35%	0.348	41%	0.413	S	S	.	.	S	Bend	trans	-84.5	-5.8	-179	57.6	5.9	0	0	0	115.6	N398 N420	N398-N416 WeakPolarHBondContact ND2-CB 3.29Å; N398-N416 PolarHBondContact ND2-ND2 3.12Å; N398-N416 WeakPolarHBondContact OD1-CB 3.37Å; N416-N420 PolarHBondContact OD1-ND2 3.42Å
417	T	71.3	Confident	74	Confident	28 Å²	28	83.1 Å²	83.1	17%	0.172	40%	0.402	C	S	.	.	S	Bend	trans	-143.8	153.6	174.9	64.2	0	0	0	0	110.2	D419 N420 L421	T417-D419 PolarHBondContact O-N 3.28Å; T417-N420 PolarHBondContact O-N 2.89Å; T417-N420 WeakPolarHBondContact OG1-CB 3.41Å; T417-N420 PolarHBondContact OG1-N 3.24Å; T417-N420 VanDerWaalsContact OG1-N 3.12Å; T417-N420 PolarHBondContact OG1-ND2 2.86Å; T417-N420 PolarHBondContact OG1-OD1 3.12Å; T417-L421 PolarHBondContact O-N 3.46Å; T417-L421 VanDerWaalsContact O-N 3.07Å
418	V	76.1	Confident	73.9	Confident	70 Å²	70	82.9 Å²	82.9	42%	0.424	40%	0.401	S	S	.	.	H	α-helix	trans	-62.3	-34	175.5	177.5	0	0	0	0	111.1	L421 K422	V418-L421 PolarHBondContact O-N 3.45Å; V418-K422 HydrophobicContact CG1-CD 4.29Å; V418-K422 HydrophobicContact CG1-CG 4.43Å; V418-K422 WeakPolarHBondContact O-CB 3.45Å; V418-K422 WeakPolarHBondContact O-CG 3.33Å; V418-K422 PolarHBondContact O-N 3.44Å
419	D	78.7	Confident	73.8	Confident	109 Å²	109	85.8 Å²	85.8	58%	0.583	41%	0.414	S	S	*	.	H	α-helix	trans	-69.4	-40.8	178.8	-60.5	-43.4	0	0	0	111.6	T417 L421 K422 E423	T417-D419 PolarHBondContact O-N 3.28Å; D419-L421 VanDerWaalsContact C-N 3.34Å; D419-L421 PolarHBondContact O-N 3.02Å; D419-K422 PolarHBondContact O-N 2.9Å; D419-E423 WeakPolarHBondContact O-CB 3.43Å; D419-E423 PolarHBondContact O-N 3.32Å
420	N	79.2	Confident	73.4	Confident	60 Å²	60	77.5 Å²	77.5	32%	0.321	39%	0.389	S	S	.	.	H	α-helix	trans	-65.3	-37.7	174	-68.1	-5.8	0	0	0	111.9	F415 N416 T417 E423 H424	F415-N420 HydrophobicContact CB-CB 4.36Å; F415-N420 HydrophobicContact CD1-CB 3.95Å; N416-N420 PolarHBondContact OD1-ND2 3.42Å; T417-N420 PolarHBondContact O-N 2.89Å; T417-N420 WeakPolarHBondContact OG1-CB 3.41Å; T417-N420 PolarHBondContact OG1-N 3.24Å; T417-N420 VanDerWaalsContact OG1-N 3.12Å; T417-N420 PolarHBondContact OG1-ND2 2.86Å; T417-N420 PolarHBondContact OG1-OD1 3.12Å; N420-E423 PolarHBondContact O-N 3.39Å; N420-H424 VanDerWaalsContact O-CB 3.31Å; N420-H424 WeakPolarHBondContact O-CB 3.47Å; N420-H424 PolarHBondContact O-N 2.96Å
421	L	78.7	Confident	72.8	Confident	27 Å²	27	79 Å²	79	14%	0.141	40%	0.402	C	S	.	.	H	α-helix	trans	-65.1	-43.8	173.1	176.2	60.9	0	0	0	111.3	R406 C408 F415 T417 V418 D419 E423 H424 M425	R406-L421 HydrophobicContact CB-CD2 4.06Å; C408-L421 HydrophobicContact CB-CD1 4.04Å; F415-L421 HydrophobicContact CB-CB 3.86Å; F415-L421 HydrophobicContact CD2-CB 4.11Å; F415-L421 HydrophobicContact CD2-CD1 3.5Å; F415-L421 VanDerWaalsContact CD2-CD1 3.5Å; F415-L421 HydrophobicContact CD2-CG 4.39Å; F415-L421 HydrophobicContact CE2-CD1 4Å; F415-L421 HydrophobicContact CG-CB 4Å; F415-L421 HydrophobicContact CG-CD1 4.26Å; T417-L421 PolarHBondContact O-N 3.46Å; T417-L421 VanDerWaalsContact O-N 3.07Å; V418-L421 PolarHBondContact O-N 3.45Å; D419-L421 VanDerWaalsContact C-N 3.34Å; D419-L421 PolarHBondContact O-N 3.02Å; L421-E423 VanDerWaalsContact C-N 3.35Å; L421-H424 PolarHBondContact O-N 3.41Å; L421-M425 HydrophobicContact CD1-CE 4.31Å; L421-M425 HydrophobicContact CD1-CG 4.13Å; L421-M425 HydrophobicContact CG-CG 4.37Å; L421-M425 WeakPolarHBondContact O-CB 3.48Å; L421-M425 WeakPolarHBondContact O-CG 3.47Å; L421-M425 PolarHBondContact O-N 2.95Å
422	K	75.7	Confident	71.9	Confident	124 Å²	124	86 Å²	86	54%	0.539	42%	0.423	S	S	.	.	H	α-helix	trans	-60.7	-45.2	174.9	-76.8	173.5	-179.9	173	0	111.2	V418 D419 H424 M425 T426	V418-K422 HydrophobicContact CG1-CD 4.29Å; V418-K422 HydrophobicContact CG1-CG 4.43Å; V418-K422 WeakPolarHBondContact O-CB 3.45Å; V418-K422 WeakPolarHBondContact O-CG 3.33Å; V418-K422 PolarHBondContact O-N 3.44Å; D419-K422 PolarHBondContact O-N 2.9Å; K422-H424 VanDerWaalsContact C-N 3.35Å; K422-H424 PolarHBondContact O-N 2.89Å; K422-M425 WeakPolarHBondContact O-CB 3.26Å; K422-M425 PolarHBondContact O-N 3.3Å; K422-T426 WeakPolarHBondContact O-CG2 3.47Å; K422-T426 PolarHBondContact O-N 2.86Å; K422-T426 PolarHBondContact O-OG1 3.02Å
423	E	73.5	Confident	71.6	Confident	68 Å²	68	83.2 Å²	83.2	32%	0.318	40%	0.404	S	S	.	.	H	α-helix	trans	-60.3	-45.9	177.2	-175.6	176.7	173.3	0	0	110.7	D419 N420 L421 T426 L427 R446	D419-E423 WeakPolarHBondContact O-CB 3.43Å; D419-E423 PolarHBondContact O-N 3.32Å; N420-E423 PolarHBondContact O-N 3.39Å; L421-E423 VanDerWaalsContact C-N 3.35Å; E423-T426 WeakPolarHBondContact CA-OG1 3.35Å; E423-T426 PolarHBondContact O-N 3.12Å; E423-T426 PolarHBondContact O-OG1 3.29Å; E423-L427 HydrophobicContact CG-CD1 3.81Å; E423-L427 HydrophobicContact CG-CG 4.4Å; E423-L427 VanDerWaalsContact O-CB 3.25Å; E423-L427 WeakPolarHBondContact O-CB 3.45Å; E423-L427 VanDerWaalsContact O-CG 3.27Å; E423-L427 WeakPolarHBondContact O-CG 3.4Å; E423-L427 PolarHBondContact O-N 3.38Å; E423-R446 IonicContact OE1-CZ 3.15Å; E423-R446 IonicContact OE1-NE 2.77Å; E423-R446 IonicContact OE1-NH1 3.84Å; E423-R446 PolarHBondContact OE1-NH1 2.99Å; E423-R446 IonicContact OE1-NH2 3.87Å; E423-R446 PolarHBondContact OE1-NH2 2.92Å
424	H	79	Confident	71.5	Confident	20 Å²	20	83.8 Å²	83.8	9%	0.093	41%	0.407	C	S	.	.	H	α-helix	trans	-60.4	-45.7	173.2	166.8	81.3	0	0	0	112.8	C408 C411 F415 N420 L421 K422 T426 L427 K428 H429	C408-H424 WeakPolarHBondContact CB-NE2 3.26Å; C408-H424 VanDerWaalsContact SG-CD2 3.6Å; C408-H424 PolarHBondContact SG-NE2 3.37Å; C411-H424 PolarHBondContact SG-CE1 3.01Å; C411-H424 PolarHBondContact SG-NE2 2.8Å; F415-H424 HydrophobicContact CD1-CB 4.13Å; F415-H424 HydrophobicContact CD2-CB 4.48Å; F415-H424 HydrophobicContact CE1-CB 3.37Å; F415-H424 AromaticContact CE1-CG 3.73Å; F415-H424 HydrophobicContact CE2-CB 3.78Å; F415-H424 AromaticContact CE2-CD2 3.35Å; F415-H424 WeakPolarHBondContact CE2-CD2 3.41Å; F415-H424 AromaticContact CE2-CG 3.41Å; F415-H424 VanDerWaalsContact CE2-CG 3.41Å; F415-H424 AromaticContact CE2-ND1 3.91Å; F415-H424 AromaticContact CE2-NE2 3.82Å; F415-H424 HydrophobicContact CZ-CB 3.2Å; F415-H424 AromaticContact CZ-CD2 3.47Å; F415-H424 VanDerWaalsContact CZ-CD2 3.47Å; F415-H424 WeakPolarHBondContact CZ-CD2 3.4Å; F415-H424 AromaticContact CZ-CE1 3.77Å; F415-H424 AromaticContact CZ-CG 2.98Å; F415-H424 AromaticContact CZ-ND1 3.23Å; F415-H424 WeakPolarHBondContact CZ-ND1 3.43Å; F415-H424 AromaticContact CZ-NE2 3.92Å; N420-H424 VanDerWaalsContact O-CB 3.31Å; N420-H424 WeakPolarHBondContact O-CB 3.47Å; N420-H424 PolarHBondContact O-N 2.96Å; L421-H424 PolarHBondContact O-N 3.41Å; K422-H424 VanDerWaalsContact C-N 3.35Å; K422-H424 PolarHBondContact O-N 2.89Å; H424-T426 VanDerWaalsContact C-N 3.29Å; H424-T426 PolarHBondContact O-N 3.02Å; H424-L427 PolarHBondContact O-N 3.08Å; H424-L427 VanDerWaalsContact O-N 3.14Å; H424-K428 WeakPolarHBondContact O-CB 3.02Å; H424-K428 PolarHBondContact O-N 3.24Å; H424-H429 AromaticContact CD2-CD2 3.87Å; H424-H429 AromaticContact CE1-NE2 3.73Å; H424-H429 AromaticContact NE2-CD2 3.34Å; H424-H429 PolarHBondContact NE2-CD2 2.78Å; H424-H429 VanDerWaalsContact NE2-CD2 3.34Å; H424-H429 AromaticContact NE2-NE2 3.15Å; H424-H429 PolarHBondContact NE2-NE2 3.33Å; H424-H429 VanDerWaalsContact NE2-NE2 3.15Å
425	M	73.5	Confident	71.6	Confident	49 Å²	49	81.6 Å²	81.6	24%	0.241	39%	0.393	C	S	.	.	I	π-helix	trans	-59.1	-41.1	175.8	-71.9	-66.9	-152.1	0	0	111.1	R409 Y410 L421 K422 H429 S430	R409-M425 HydrophobicContact CB-CE 3.94Å; Y410-M425 HydrophobicContact CD2-CE 3.99Å; Y410-M425 HydrophobicContact CD2-SD 3.79Å; Y410-M425 HydrophobicContact CE2-CE 4.19Å; Y410-M425 HydrophobicContact CE2-SD 4.16Å; L421-M425 HydrophobicContact CD1-CE 4.31Å; L421-M425 HydrophobicContact CD1-CG 4.13Å; L421-M425 HydrophobicContact CG-CG 4.37Å; L421-M425 WeakPolarHBondContact O-CB 3.48Å; L421-M425 WeakPolarHBondContact O-CG 3.47Å; L421-M425 PolarHBondContact O-N 2.95Å; K422-M425 WeakPolarHBondContact O-CB 3.26Å; K422-M425 PolarHBondContact O-N 3.3Å; M425-H429 CarbonylContact O-C 3.22Å; M425-H429 VanDerWaalsContact O-C 3.31Å; M425-H429 WeakPolarHBondContact O-CA 3.5Å; M425-H429 PolarHBondContact O-N 3.07Å; M425-H429 VanDerWaalsContact O-N 3.11Å; M425-H429 HydrophobicContact SD-CB 4.21Å; M425-S430 WeakPolarHBondContact O-CB 3.39Å; M425-S430 PolarHBondContact O-N 2.75Å
426	T	74	Confident	71.8	Confident	66 Å²	66	82.8 Å²	82.8	41%	0.405	40%	0.402	S	S	.	.	I	π-helix	trans	-69.5	-33.9	175.3	56.5	0	0	0	0	113.3	K422 E423 H424 S430	K422-T426 WeakPolarHBondContact O-CG2 3.47Å; K422-T426 PolarHBondContact O-N 2.86Å; K422-T426 PolarHBondContact O-OG1 3.02Å; E423-T426 WeakPolarHBondContact CA-OG1 3.35Å; E423-T426 PolarHBondContact O-N 3.12Å; E423-T426 PolarHBondContact O-OG1 3.29Å; H424-T426 VanDerWaalsContact C-N 3.29Å; H424-T426 PolarHBondContact O-N 3.02Å; T426-S430 WeakPolarHBondContact O-CB 3.49Å
427	L	70	Confident	72.3	Confident	62 Å²	62	79.8 Å²	79.8	33%	0.325	39%	0.386	S	S	.	.	I	π-helix	trans	-83.8	-36.9	-174.7	-81.7	175.7	0	0	0	113.9	E423 H424 S445 R446	E423-L427 HydrophobicContact CG-CD1 3.81Å; E423-L427 HydrophobicContact CG-CG 4.4Å; E423-L427 VanDerWaalsContact O-CB 3.25Å; E423-L427 WeakPolarHBondContact O-CB 3.45Å; E423-L427 VanDerWaalsContact O-CG 3.27Å; E423-L427 WeakPolarHBondContact O-CG 3.4Å; E423-L427 PolarHBondContact O-N 3.38Å; H424-L427 PolarHBondContact O-N 3.08Å; H424-L427 VanDerWaalsContact O-N 3.14Å; L427-S445 VanDerWaalsContact CD2-OG 3.29Å; L427-S445 WeakPolarHBondContact CD2-OG 2.93Å; L427-R446 HydrophobicContact CD2-CG 3.67Å; L427-R446 HydrophobicContact CG-CG 4.48Å
428	K	67.9	Low	72.7	Confident	157 Å²	157	87.5 Å²	87.5	68%	0.683	42%	0.42	S	S	*	.	I	π-helix	trans	-113.5	-28.8	-169.4	-67	-66	-171.5	172.8	0	113.6	H424	H424-K428 WeakPolarHBondContact O-CB 3.02Å; H424-K428 PolarHBondContact O-N 3.24Å
429	H	72.4	Confident	72.9	Confident	67 Å²	67	89.6 Å²	89.6	31%	0.31	43%	0.429	S	S	.	.	I	π-helix	trans	-118.9	-2.8	-174.3	-61.3	-58.8	0	0	0	113.9	C408 Y410 C411 H424 M425	C408-H429 PolarHBondContact SG-CD2 2.73Å; C408-H429 PolarHBondContact SG-NE2 3.14Å; Y410-H429 WeakPolarHBondContact CB-CE1 3.11Å; Y410-H429 VanDerWaalsContact CB-ND1 3.31Å; Y410-H429 WeakPolarHBondContact CB-ND1 3.01Å; Y410-H429 HydrophobicContact CD2-CB 3.93Å; Y410-H429 AromaticContact CD2-CG 3.86Å; Y410-H429 HydrophobicContact CG-CB 4.46Å; C411-H429 PolarHBondContact SG-NE2 3.29Å; C411-H429 VanDerWaalsContact SG-NE2 3.39Å; H424-H429 AromaticContact CD2-CD2 3.87Å; H424-H429 AromaticContact CE1-NE2 3.73Å; H424-H429 AromaticContact NE2-CD2 3.34Å; H424-H429 PolarHBondContact NE2-CD2 2.78Å; H424-H429 VanDerWaalsContact NE2-CD2 3.34Å; H424-H429 AromaticContact NE2-NE2 3.15Å; H424-H429 PolarHBondContact NE2-NE2 3.33Å; H424-H429 VanDerWaalsContact NE2-NE2 3.15Å; M425-H429 CarbonylContact O-C 3.22Å; M425-H429 VanDerWaalsContact O-C 3.31Å; M425-H429 WeakPolarHBondContact O-CA 3.5Å; M425-H429 PolarHBondContact O-N 3.07Å; M425-H429 VanDerWaalsContact O-N 3.11Å; M425-H429 HydrophobicContact SD-CB 4.21Å
430	S	66.3	Low	73.1	Confident	43 Å²	43	87.3 Å²	87.3	30%	0.301	42%	0.42	S	S	.	.			trans	-101.8	120.6	175.5	-158.6	0	0	0	0	110	M425 T426 R432	M425-S430 WeakPolarHBondContact O-CB 3.39Å; M425-S430 PolarHBondContact O-N 2.75Å; T426-S430 WeakPolarHBondContact O-CB 3.49Å; S430-R432 PolarHBondContact O-N 3.02Å; S430-R432 PolarHBondContact OG-N 3.11Å
431	E	57.1	Low	73.1	Confident	193 Å²	193	86.5 Å²	86.5	90%	0.902	43%	0.426	S	S	*	.			trans	-70.6	-9.6	167.4	-64.3	176.8	178.2	0	0	111.9	K433	E431-K433 VanDerWaalsContact C-N 3.33Å; E431-K433 PolarHBondContact O-N 3.49Å
432	R	58	Low	73.2	Confident	182 Å²	182	89.1 Å²	89.1	69%	0.687	44%	0.44	S	S	*	.			trans	-74.1	86.2	176.1	-81.1	-166.1	-97.7	-172.6	-9.8	111.2	S430 E434	S430-R432 PolarHBondContact O-N 3.02Å; S430-R432 PolarHBondContact OG-N 3.11Å; R432-E434 HydrophobicContact CB-CG 4.31Å; R432-E434 PolarHBondContact O-N 2.73Å
433	K	64.5	Low	73.4	Confident	103 Å²	103	89.9 Å²	89.9	45%	0.448	44%	0.44	S	S	.	.			trans	-81.4	85.9	161.2	-66.7	167.7	162.4	-162.7	0	108.7	E431 F435 R443 F444	E431-K433 VanDerWaalsContact C-N 3.33Å; E431-K433 PolarHBondContact O-N 3.49Å; K433-F435 VanDerWaalsContact C-N 3.31Å; K433-R443 HydrophobicContact CB-CB 3.51Å; K433-R443 HydrophobicContact CD-CB 3.79Å; K433-R443 VanDerWaalsContact CD-O 3.26Å; K433-R443 WeakPolarHBondContact CD-O 3.49Å; K433-R443 HydrophobicContact CG-CB 4.27Å; K433-R443 PolarHBondContact NZ-O 2.85Å; K433-R443 PolarHBondContact O-NE 3.06Å; K433-R443 PolarHBondContact O-NH2 3.31Å; K433-F444 CarbonylContact C-O 3.57Å; K433-F444 VanDerWaalsContact C-O 3.3Å; K433-F444 VanDerWaalsContact CA-O 3.27Å; K433-F444 WeakPolarHBondContact CA-O 3.48Å
434	E	71.4	Confident	73.7	Confident	129 Å²	129	88.5 Å²	88.5	60%	0.603	43%	0.433	S	S	*	.			trans	-71.3	-23.4	-175.8	-68.1	-178.2	169.9	0	0	113.4	R432 F444	R432-E434 HydrophobicContact CB-CG 4.31Å; R432-E434 PolarHBondContact O-N 2.73Å; E434-F444 PolarHBondContact N-O 2.76Å
435	F	72.5	Confident	73.4	Confident	64 Å²	64	89.2 Å²	89.2	28%	0.281	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	112.9	-175.4	-59	-77.4	0	0	0	109.8	K433 R443 F444 Q447 M450	K433-F435 VanDerWaalsContact C-N 3.31Å; F435-R443 CarbonylContact O-C 3.53Å; F435-R443 WeakPolarHBondContact O-CA 3.31Å; F435-F444 HydrophobicContact CB-CB 4.27Å; F435-F444 PolarHBondContact N-O 2.69Å; F435-F444 PolarHBondContact O-N 3Å; F435-Q447 HydrophobicContact CD1-CB 4.05Å; F435-Q447 VanDerWaalsContact CD2-N 3.28Å; F435-Q447 HydrophobicContact CE1-CB 3.77Å; F435-Q447 HydrophobicContact CE1-CG 4.44Å; F435-Q447 VanDerWaalsContact CE1-OE1 3.28Å; F435-Q447 HydrophobicContact CE2-CB 4.41Å; F435-Q447 HydrophobicContact CG-CB 4.45Å; F435-Q447 HydrophobicContact CZ-CB 3.96Å; F435-M450 HydrophobicContact CB-CB 4.03Å; F435-M450 HydrophobicContact CB-CG 4.41Å; F435-M450 HydrophobicContact CB-SD 3.8Å
436	T	77.7	Confident	73.3	Confident	53 Å²	53	91.5 Å²	91.5	33%	0.325	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.2	-179.5	-58.5	0	0	0	0	109.3	E438 D442 R443	T436-E438 PolarHBondContact O-N 3.06Å; T436-D442 CarbonylContact C-O 3.3Å; T436-D442 WeakPolarHBondContact CA-O 3.49Å; T436-R443 HydrophobicContact CG2-CG 4.25Å
437	C	81.3	Confident	73.5	Confident	1 Å²	1	92.7 Å²	92.7	1%	0.007	45%	0.447	C	S	.	.			trans	-68.2	121.9	169.1	177.2	0	0	0	0	109.1	L439 C440 G441 D442 F444 H453 M454 H458	C437-L439 PolarHBondContact O-N 2.95Å; C437-L439 PolarHBondContact SG-N 2.93Å; C437-L439 VanDerWaalsContact SG-N 3.43Å; C437-C440 VanDerWaalsContact CB-SG 3.59Å; C437-C440 PolarHBondContact SG-SG 3.43Å; C437-G441 WeakPolarHBondContact O-CA 3.49Å; C437-G441 PolarHBondContact O-N 3.1Å; C437-D442 HydrophobicContact CB-CB 4.34Å; C437-D442 PolarHBondContact N-O 2.86Å; C437-F444 HydrophobicContact CB-CE2 4.15Å; C437-H453 WeakPolarHBondContact CB-NE2 3.2Å; C437-H453 PolarHBondContact SG-NE2 3.33Å; C437-M454 HydrophobicContact CB-SD 4.4Å; C437-M454 PolarHBondContact SG-SD 3.42Å; C437-H458 PolarHBondContact SG-CD2 3.49Å; C437-H458 PolarHBondContact SG-NE2 3.21Å
438	E	79.2	Confident	73.8	Confident	191 Å²	191	94.6 Å²	94.6	89%	0.893	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-20.1	-179.9	-64.6	179.4	-178.1	0	0	112.8	T436	T436-E438 PolarHBondContact O-N 3.06Å
439	L	80.7	Confident	74.4	Confident	114 Å²	114	88.1 Å²	88.1	60%	0.597	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-32.2	-175.3	-62.5	175.7	0	0	0	113.7	C437 M454 H458	C437-L439 PolarHBondContact O-N 2.95Å; C437-L439 PolarHBondContact SG-N 2.93Å; C437-L439 VanDerWaalsContact SG-N 3.43Å; L439-M454 HydrophobicContact CD1-CE 3.67Å; L439-M454 HydrophobicContact CD1-SD 4.35Å; L439-M454 HydrophobicContact CG-CE 4.22Å; L439-H458 VanDerWaalsContact CB-CE1 3.42Å; L439-H458 WeakPolarHBondContact CB-CE1 3.32Å; L439-H458 HydrophobicContact CD1-CB 3.45Å; L439-H458 VanDerWaalsContact CD1-CB 3.45Å; L439-H458 VanDerWaalsContact CD1-CG 3.46Å
440	C	82.8	Confident	74.8	Confident	60 Å²	60	86.3 Å²	86.3	41%	0.405	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-8.7	177.3	68.5	0	0	0	0	114.9	C437 D442 H453 H458	C437-C440 VanDerWaalsContact CB-SG 3.59Å; C437-C440 PolarHBondContact SG-SG 3.43Å; C440-D442 VanDerWaalsContact C-N 3.27Å; C440-D442 PolarHBondContact O-N 2.88Å; C440-D442 WeakPolarHBondContact SG-CB 3.39Å; C440-D442 PolarHBondContact SG-N 3.32Å; C440-D442 PolarHBondContact SG-OD2 3.46Å; C440-H453 PolarHBondContact SG-CE1 3.4Å; C440-H453 PolarHBondContact SG-NE2 3.12Å; C440-H458 PolarHBondContact SG-NE2 3.49Å
441	G	79.6	Confident	75.4	Confident	43 Å²	43	87 Å²	87	44%	0.443	43%	0.431	S	S	.	.			trans	79.4	0.4	-176.1	0	0	0	0	0	115.1	C437 R443	C437-G441 WeakPolarHBondContact O-CA 3.49Å; C437-G441 PolarHBondContact O-N 3.1Å; G441-R443 PolarHBondContact O-N 2.66Å
442	D	80.4	Confident	76.3	Confident	83 Å²	83	85 Å²	85	44%	0.444	42%	0.415	S	S	.	.			trans	-61.1	133.3	179.8	-79.7	-31.8	0	0	0	111.5	T436 C437 C440 F444 H453	T436-D442 CarbonylContact C-O 3.3Å; T436-D442 WeakPolarHBondContact CA-O 3.49Å; C437-D442 HydrophobicContact CB-CB 4.34Å; C437-D442 PolarHBondContact N-O 2.86Å; C440-D442 VanDerWaalsContact C-N 3.27Å; C440-D442 PolarHBondContact O-N 2.88Å; C440-D442 WeakPolarHBondContact SG-CB 3.39Å; C440-D442 PolarHBondContact SG-N 3.32Å; C440-D442 PolarHBondContact SG-OD2 3.46Å; D442-F444 HydrophobicContact CB-CE2 3.56Å; D442-F444 HydrophobicContact CB-CZ 3.62Å; D442-F444 WeakPolarHBondContact O-CD2 3.25Å; D442-F444 VanDerWaalsContact O-CE2 3.29Å; D442-F444 WeakPolarHBondContact O-CE2 3.23Å; D442-H453 IonicContact OD2-CE1 3.06Å; D442-H453 PolarHBondContact OD2-CE1 2.73Å; D442-H453 IonicContact OD2-ND1 3.62Å; D442-H453 IonicContact OD2-NE2 3.93Å
443	R	80	Confident	77.4	Confident	139 Å²	139	77.2 Å²	77.2	53%	0.525	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	132.7	-177.5	-53.3	-174.2	68	107.5	5.1	111.2	K433 F435 T436 G441	K433-R443 HydrophobicContact CB-CB 3.51Å; K433-R443 HydrophobicContact CD-CB 3.79Å; K433-R443 VanDerWaalsContact CD-O 3.26Å; K433-R443 WeakPolarHBondContact CD-O 3.49Å; K433-R443 HydrophobicContact CG-CB 4.27Å; K433-R443 PolarHBondContact NZ-O 2.85Å; K433-R443 PolarHBondContact O-NE 3.06Å; K433-R443 PolarHBondContact O-NH2 3.31Å; F435-R443 CarbonylContact O-C 3.53Å; F435-R443 WeakPolarHBondContact O-CA 3.31Å; T436-R443 HydrophobicContact CG2-CG 4.25Å; G441-R443 PolarHBondContact O-N 2.66Å
444	F	79.1	Confident	78.2	Confident	40 Å²	40	74.8 Å²	74.8	18%	0.175	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.4	-177.9	-56.3	-85	0	0	0	111.3	K433 E434 F435 C437 D442 R446 A449 M450 H453	K433-F444 CarbonylContact C-O 3.57Å; K433-F444 VanDerWaalsContact C-O 3.3Å; K433-F444 VanDerWaalsContact CA-O 3.27Å; K433-F444 WeakPolarHBondContact CA-O 3.48Å; E434-F444 PolarHBondContact N-O 2.76Å; F435-F444 HydrophobicContact CB-CB 4.27Å; F435-F444 PolarHBondContact N-O 2.69Å; F435-F444 PolarHBondContact O-N 3Å; C437-F444 HydrophobicContact CB-CE2 4.15Å; D442-F444 HydrophobicContact CB-CE2 3.56Å; D442-F444 HydrophobicContact CB-CZ 3.62Å; D442-F444 WeakPolarHBondContact O-CD2 3.25Å; D442-F444 VanDerWaalsContact O-CE2 3.29Å; D442-F444 WeakPolarHBondContact O-CE2 3.23Å; F444-R446 VanDerWaalsContact C-N 3.34Å; F444-A449 HydrophobicContact CB-CB 4.26Å; F444-A449 HydrophobicContact CD1-CB 3.97Å; F444-A449 HydrophobicContact CG-CB 4.41Å; F444-M450 HydrophobicContact CB-CB 4.09Å; F444-M450 HydrophobicContact CD2-CB 3.62Å; F444-M450 HydrophobicContact CD2-CG 3.81Å; F444-M450 HydrophobicContact CE2-CB 4.36Å; F444-M450 HydrophobicContact CE2-CG 4.27Å; F444-M450 HydrophobicContact CG-CB 3.97Å; F444-H453 HydrophobicContact CE1-CB 3.81Å; F444-H453 HydrophobicContact CE2-CB 3.98Å; F444-H453 AromaticContact CE2-CD2 3.56Å; F444-H453 AromaticContact CE2-CG 3.71Å; F444-H453 HydrophobicContact CZ-CB 3.38Å; F444-H453 AromaticContact CZ-CD2 3.56Å; F444-H453 AromaticContact CZ-CG 3.21Å; F444-H453 AromaticContact CZ-ND1 3.55Å
445	S	73.1	Confident	78.5	Confident	34 Å²	34	70.7 Å²	70.7	24%	0.238	36%	0.359	C	S	.	.	S	Bend	trans	-81.9	-10.7	174.8	49.4	0	0	0	0	113.5	L427	L427-S445 VanDerWaalsContact CD2-OG 3.29Å; L427-S445 WeakPolarHBondContact CD2-OG 2.93Å
446	R	71.8	Confident	78.7	Confident	98 Å²	98	70.7 Å²	70.7	37%	0.37	36%	0.364	S	S	.	.	S	Bend	trans	-139.1	140.5	179.4	-69.6	175.6	72.5	157.3	20	112	E423 L427 F444 V448 A449 M450	E423-R446 IonicContact OE1-CZ 3.15Å; E423-R446 IonicContact OE1-NE 2.77Å; E423-R446 IonicContact OE1-NH1 3.84Å; E423-R446 PolarHBondContact OE1-NH1 2.99Å; E423-R446 IonicContact OE1-NH2 3.87Å; E423-R446 PolarHBondContact OE1-NH2 2.92Å; L427-R446 HydrophobicContact CD2-CG 3.67Å; L427-R446 HydrophobicContact CG-CG 4.48Å; F444-R446 VanDerWaalsContact C-N 3.34Å; R446-V448 PolarHBondContact O-N 2.74Å; R446-A449 HydrophobicContact CB-CB 4.31Å; R446-A449 WeakPolarHBondContact O-CB 3.39Å; R446-A449 PolarHBondContact O-N 3.31Å; R446-M450 PolarHBondContact O-N 2.86Å; R446-M450 VanDerWaalsContact O-N 3.1Å
447	Q	77.4	Confident	78.7	Confident	90 Å²	90	72 Å²	72	42%	0.421	37%	0.372	S	S	.	.	H	α-helix	trans	-54.2	-39.6	171.4	-175.9	64.1	4.8	0	0	112.6	F435 A449 M450 T451	F435-Q447 HydrophobicContact CD1-CB 4.05Å; F435-Q447 VanDerWaalsContact CD2-N 3.28Å; F435-Q447 HydrophobicContact CE1-CB 3.77Å; F435-Q447 HydrophobicContact CE1-CG 4.44Å; F435-Q447 VanDerWaalsContact CE1-OE1 3.28Å; F435-Q447 HydrophobicContact CE2-CB 4.41Å; F435-Q447 HydrophobicContact CG-CB 4.45Å; F435-Q447 HydrophobicContact CZ-CB 3.96Å; Q447-A449 VanDerWaalsContact C-N 3.29Å; Q447-A449 PolarHBondContact O-N 3.38Å; Q447-M450 VanDerWaalsContact NE2-CE 3.3Å; Q447-M450 PolarHBondContact O-N 3.28Å; Q447-T451 WeakPolarHBondContact O-CB 3.42Å; Q447-T451 PolarHBondContact O-N 3.16Å; Q447-T451 PolarHBondContact O-OG1 3.09Å
448	V	77.6	Confident	78.8	Confident	103 Å²	103	75 Å²	75	62%	0.624	39%	0.386	S	S	*	.	H	α-helix	trans	-64.9	-35.1	179.3	-177.2	0	0	0	0	111.6	R446 R452	R446-V448 PolarHBondContact O-N 2.74Å; V448-R452 VanDerWaalsContact O-CB 3.29Å; V448-R452 WeakPolarHBondContact O-CB 3.2Å; V448-R452 PolarHBondContact O-N 3.43Å
449	A	79.4	Confident	78.6	Confident	20 Å²	20	68.1 Å²	68.1	17%	0.165	36%	0.357	C	S	.	.	H	α-helix	trans	-71.2	-43.3	177	0	0	0	0	0	111.1	F444 R446 Q447 R452 H453	F444-A449 HydrophobicContact CB-CB 4.26Å; F444-A449 HydrophobicContact CD1-CB 3.97Å; F444-A449 HydrophobicContact CG-CB 4.41Å; R446-A449 HydrophobicContact CB-CB 4.31Å; R446-A449 WeakPolarHBondContact O-CB 3.39Å; R446-A449 PolarHBondContact O-N 3.31Å; Q447-A449 VanDerWaalsContact C-N 3.29Å; Q447-A449 PolarHBondContact O-N 3.38Å; A449-R452 PolarHBondContact O-N 2.97Å; A449-H453 WeakPolarHBondContact O-CB 3.49Å; A449-H453 PolarHBondContact O-N 3.46Å
450	M	81.2	Confident	77.7	Confident	30 Å²	30	70.3 Å²	70.3	15%	0.148	37%	0.37	C	S	.	.	H	α-helix	trans	-61.9	-46.7	173	-173.6	-165.5	80.1	0	0	111.5	F435 F444 R446 Q447 R452 H453 M454	F435-M450 HydrophobicContact CB-CB 4.03Å; F435-M450 HydrophobicContact CB-CG 4.41Å; F435-M450 HydrophobicContact CB-SD 3.8Å; F444-M450 HydrophobicContact CB-CB 4.09Å; F444-M450 HydrophobicContact CD2-CB 3.62Å; F444-M450 HydrophobicContact CD2-CG 3.81Å; F444-M450 HydrophobicContact CE2-CB 4.36Å; F444-M450 HydrophobicContact CE2-CG 4.27Å; F444-M450 HydrophobicContact CG-CB 3.97Å; R446-M450 PolarHBondContact O-N 2.86Å; R446-M450 VanDerWaalsContact O-N 3.1Å; Q447-M450 VanDerWaalsContact NE2-CE 3.3Å; Q447-M450 PolarHBondContact O-N 3.28Å; M450-R452 PolarHBondContact O-N 2.88Å; M450-H453 CarbonylContact O-C 3.3Å; M450-H453 WeakPolarHBondContact O-CA 3.3Å; M450-H453 WeakPolarHBondContact O-CB 3.5Å; M450-H453 PolarHBondContact O-N 3.39Å; M450-H453 VanDerWaalsContact O-N 3.12Å; M450-M454 VanDerWaalsContact O-CG 3.3Å; M450-M454 WeakPolarHBondContact O-CG 3.38Å; M450-M454 PolarHBondContact O-N 3.43Å
451	T	78.9	Confident	77	Confident	56 Å²	56	73.6 Å²	73.6	34%	0.344	38%	0.379	S	S	.	.	H	α-helix	trans	-61.5	-44.4	179.1	-53	0	0	0	0	110.9	Q447 H453 M454 I455	Q447-T451 WeakPolarHBondContact O-CB 3.42Å; Q447-T451 PolarHBondContact O-N 3.16Å; Q447-T451 PolarHBondContact O-OG1 3.09Å; T451-H453 VanDerWaalsContact C-N 3.34Å; T451-M454 WeakPolarHBondContact O-CB 3.24Å; T451-M454 PolarHBondContact O-N 3.25Å; T451-I455 HydrophobicContact CG2-CD1 4.01Å; T451-I455 VanDerWaalsContact O-CG1 3.28Å; T451-I455 WeakPolarHBondContact O-CG1 3.02Å; T451-I455 PolarHBondContact O-N 3.09Å
452	R	76.4	Confident	76.6	Confident	152 Å²	152	77 Å²	77	57%	0.574	38%	0.381	S	S	*	.	H	α-helix	trans	-61	-44.8	173.6	174	179.8	52.2	165.9	-2.6	111.1	V448 A449 M450 I455 T456	V448-R452 VanDerWaalsContact O-CB 3.29Å; V448-R452 WeakPolarHBondContact O-CB 3.2Å; V448-R452 PolarHBondContact O-N 3.43Å; A449-R452 PolarHBondContact O-N 2.97Å; M450-R452 PolarHBondContact O-N 2.88Å; R452-I455 PolarHBondContact O-N 2.8Å; R452-T456 HydrophobicContact CG-CG2 4.16Å; R452-T456 WeakPolarHBondContact O-CB 3.45Å; R452-T456 WeakPolarHBondContact O-CG2 3.05Å; R452-T456 PolarHBondContact O-N 3.4Å; R452-T456 PolarHBondContact O-OG1 2.89Å
453	H	80.5	Confident	76.1	Confident	18 Å²	18	77.1 Å²	77.1	8%	0.083	39%	0.387	C	S	.	.	H	α-helix	trans	-57.8	-49.3	176	160.9	87.3	0	0	0	110.9	C437 C440 D442 F444 A449 M450 T451 I455 T456 T457 H458	C437-H453 WeakPolarHBondContact CB-NE2 3.2Å; C437-H453 PolarHBondContact SG-NE2 3.33Å; C440-H453 PolarHBondContact SG-CE1 3.4Å; C440-H453 PolarHBondContact SG-NE2 3.12Å; D442-H453 IonicContact OD2-CE1 3.06Å; D442-H453 PolarHBondContact OD2-CE1 2.73Å; D442-H453 IonicContact OD2-ND1 3.62Å; D442-H453 IonicContact OD2-NE2 3.93Å; F444-H453 HydrophobicContact CE1-CB 3.81Å; F444-H453 HydrophobicContact CE2-CB 3.98Å; F444-H453 AromaticContact CE2-CD2 3.56Å; F444-H453 AromaticContact CE2-CG 3.71Å; F444-H453 HydrophobicContact CZ-CB 3.38Å; F444-H453 AromaticContact CZ-CD2 3.56Å; F444-H453 AromaticContact CZ-CG 3.21Å; F444-H453 AromaticContact CZ-ND1 3.55Å; A449-H453 WeakPolarHBondContact O-CB 3.49Å; A449-H453 PolarHBondContact O-N 3.46Å; M450-H453 CarbonylContact O-C 3.3Å; M450-H453 WeakPolarHBondContact O-CA 3.3Å; M450-H453 WeakPolarHBondContact O-CB 3.5Å; M450-H453 PolarHBondContact O-N 3.39Å; M450-H453 VanDerWaalsContact O-N 3.12Å; T451-H453 VanDerWaalsContact C-N 3.34Å; H453-I455 VanDerWaalsContact C-N 3.31Å; H453-I455 PolarHBondContact O-N 3.09Å; H453-T456 PolarHBondContact O-N 2.97Å; H453-T456 VanDerWaalsContact O-N 3.12Å; H453-T456 PolarHBondContact O-OG1 3.01Å; H453-T457 PolarHBondContact CE1-OG1 3.3Å; H453-T457 PolarHBondContact ND1-OG1 3.02Å; H453-T457 WeakPolarHBondContact O-CB 3.45Å; H453-T457 PolarHBondContact O-N 3.25Å; H453-T457 PolarHBondContact O-OG1 3.27Å; H453-H458 AromaticContact CE1-NE2 3.86Å; H453-H458 AromaticContact NE2-CD2 3.59Å; H453-H458 AromaticContact NE2-NE2 3.29Å; H453-H458 PolarHBondContact NE2-NE2 2.86Å
454	M	80.8	Confident	75.7	Confident	53 Å²	53	74.8 Å²	74.8	26%	0.261	38%	0.378	S	S	.	.	I	π-helix	trans	-52.4	-49.7	174.2	-67.3	-67.3	-69.8	0	0	111.2	C437 L439 M450 T451 T456 H458 T459	C437-M454 HydrophobicContact CB-SD 4.4Å; C437-M454 PolarHBondContact SG-SD 3.42Å; L439-M454 HydrophobicContact CD1-CE 3.67Å; L439-M454 HydrophobicContact CD1-SD 4.35Å; L439-M454 HydrophobicContact CG-CE 4.22Å; M450-M454 VanDerWaalsContact O-CG 3.3Å; M450-M454 WeakPolarHBondContact O-CG 3.38Å; M450-M454 PolarHBondContact O-N 3.43Å; T451-M454 WeakPolarHBondContact O-CB 3.24Å; T451-M454 PolarHBondContact O-N 3.25Å; M454-T456 VanDerWaalsContact C-N 3.34Å; M454-T456 PolarHBondContact O-N 3.38Å; M454-H458 WeakPolarHBondContact O-CB 3.23Å; M454-H458 PolarHBondContact O-N 3.02Å; M454-T459 PolarHBondContact O-N 3.39Å; M454-T459 PolarHBondContact O-OG1 2.68Å
455	I	77.9	Confident	75.4	Confident	43 Å²	43	79 Å²	79	22%	0.221	40%	0.398	C	S	.	.	I	π-helix	trans	-63	-39.1	-179.9	-66.6	166.7	0	0	0	112.1	T451 R452 H453 T459 E461 P463	T451-I455 HydrophobicContact CG2-CD1 4.01Å; T451-I455 VanDerWaalsContact O-CG1 3.28Å; T451-I455 WeakPolarHBondContact O-CG1 3.02Å; T451-I455 PolarHBondContact O-N 3.09Å; R452-I455 PolarHBondContact O-N 2.8Å; H453-I455 VanDerWaalsContact C-N 3.31Å; H453-I455 PolarHBondContact O-N 3.09Å; I455-T459 WeakPolarHBondContact CA-OG1 3.36Å; I455-T459 PolarHBondContact O-OG1 3.32Å; I455-E461 WeakPolarHBondContact CG2-O 3.22Å; I455-P463 HydrophobicContact CG2-CG 4.28Å
456	T	76.6	Confident	75.6	Confident	63 Å²	63	77.6 Å²	77.6	39%	0.387	39%	0.388	S	S	.	.	I	π-helix	trans	-90.6	-22	-172.9	56.1	0	0	0	0	114.5	R452 H453 M454	R452-T456 HydrophobicContact CG-CG2 4.16Å; R452-T456 WeakPolarHBondContact O-CB 3.45Å; R452-T456 WeakPolarHBondContact O-CG2 3.05Å; R452-T456 PolarHBondContact O-N 3.4Å; R452-T456 PolarHBondContact O-OG1 2.89Å; H453-T456 PolarHBondContact O-N 2.97Å; H453-T456 VanDerWaalsContact O-N 3.12Å; H453-T456 PolarHBondContact O-OG1 3.01Å; M454-T456 VanDerWaalsContact C-N 3.34Å; M454-T456 PolarHBondContact O-N 3.38Å
457	T	78.7	Confident	75.5	Confident	80 Å²	80	77.1 Å²	77.1	49%	0.491	41%	0.414	S	S	.	.	I	π-helix	trans	-117.7	-29.5	-172.1	58.2	0	0	0	0	114.1	H453	H453-T457 PolarHBondContact CE1-OG1 3.3Å; H453-T457 PolarHBondContact ND1-OG1 3.02Å; H453-T457 WeakPolarHBondContact O-CB 3.45Å; H453-T457 PolarHBondContact O-N 3.25Å; H453-T457 PolarHBondContact O-OG1 3.27Å
458	H	82.3	Confident	75	Confident	66 Å²	66	76.5 Å²	76.5	31%	0.306	42%	0.416	S	S	.	.	I	π-helix	trans	-111.9	-22.9	-174.7	-69.2	-57.6	0	0	0	113.8	C437 L439 C440 H453 M454	C437-H458 PolarHBondContact SG-CD2 3.49Å; C437-H458 PolarHBondContact SG-NE2 3.21Å; L439-H458 VanDerWaalsContact CB-CE1 3.42Å; L439-H458 WeakPolarHBondContact CB-CE1 3.32Å; L439-H458 HydrophobicContact CD1-CB 3.45Å; L439-H458 VanDerWaalsContact CD1-CB 3.45Å; L439-H458 VanDerWaalsContact CD1-CG 3.46Å; C440-H458 PolarHBondContact SG-NE2 3.49Å; H453-H458 AromaticContact CE1-NE2 3.86Å; H453-H458 AromaticContact NE2-CD2 3.59Å; H453-H458 AromaticContact NE2-NE2 3.29Å; H453-H458 PolarHBondContact NE2-NE2 2.86Å; M454-H458 WeakPolarHBondContact O-CB 3.23Å; M454-H458 PolarHBondContact O-N 3.02Å
459	T	74.7	Confident	74.8	Confident	45 Å²	45	74.3 Å²	74.3	28%	0.276	41%	0.405	S	S	.	.			trans	-115.1	141.3	176.3	69.9	0	0	0	0	109.7	M454 I455 E461	M454-T459 PolarHBondContact O-N 3.39Å; M454-T459 PolarHBondContact O-OG1 2.68Å; I455-T459 WeakPolarHBondContact CA-OG1 3.36Å; I455-T459 PolarHBondContact O-OG1 3.32Å; T459-E461 PolarHBondContact O-N 3.03Å; T459-E461 PolarHBondContact OG1-N 3.43Å
460	D	63.6	Low	74.6	Confident	161 Å²	161	75 Å²	75	86%	0.861	41%	0.413	S	S	*	.			trans	-79.4	13.9	162.4	-75.6	-47.6	0	0	0	112.1	K462	D460-K462 PolarHBondContact O-N 2.83Å; D460-K462 VanDerWaalsContact O-N 3.1Å
461	E	67.6	Low	74.3	Confident	129 Å²	129	76.9 Å²	76.9	60%	0.603	43%	0.426	S	S	*	.			trans	-66.8	113.1	176.2	-69.5	-172.9	-178.5	0	0	109.8	I455 T459 P463	I455-E461 WeakPolarHBondContact CG2-O 3.22Å; T459-E461 PolarHBondContact O-N 3.03Å; T459-E461 PolarHBondContact OG1-N 3.43Å; E461-P463 VanDerWaalsContact C-CD 3.41Å; E461-P463 WeakPolarHBondContact O-CD 3.34Å
462	K	71.5	Confident	74.3	Confident	113 Å²	113	76.1 Å²	76.1	49%	0.491	42%	0.423	S	S	.	.			trans	-107.4	78.6	174.4	-65.3	-168.8	-165.2	174.9	0	108.5	D460 R464 S472 F473	D460-K462 PolarHBondContact O-N 2.83Å; D460-K462 VanDerWaalsContact O-N 3.1Å; K462-R464 PolarHBondContact O-N 3.04Å; K462-S472 VanDerWaalsContact CB-CB 3.4Å; K462-S472 WeakPolarHBondContact CD-O 3.45Å; K462-F473 CarbonylContact C-O 3.55Å; K462-F473 VanDerWaalsContact C-O 3.3Å; K462-F473 WeakPolarHBondContact CA-O 3.33Å
463	P	69	Low	74.5	Confident	86 Å²	86	70.2 Å²	70.2	56%	0.558	40%	0.402	S	S	*	.			trans	-65.5	-6.1	-168.5	26.1	-36.5	0	0	0	114.2	I455 E461	I455-P463 HydrophobicContact CG2-CG 4.28Å; E461-P463 VanDerWaalsContact C-CD 3.41Å; E461-P463 WeakPolarHBondContact O-CD 3.34Å
464	R	71.6	Confident	74.1	Confident	91 Å²	91	70.9 Å²	70.9	34%	0.343	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	94.2	-176.1	-60.7	175.2	-179	-89.8	-0.9	110.4	K462 S472 F473 L476 W479	K462-R464 PolarHBondContact O-N 3.04Å; R464-S472 CarbonylContact O-C 3.44Å; R464-S472 WeakPolarHBondContact O-CA 3.13Å; R464-F473 HydrophobicContact CB-CB 4.43Å; R464-F473 PolarHBondContact N-O 3.24Å; R464-F473 WeakPolarHBondContact O-CD2 3.48Å; R464-F473 PolarHBondContact O-N 2.71Å; R464-L476 VanDerWaalsContact CZ-CB 3.44Å; R464-W479 HydrophobicContact CB-CB 3.95Å; R464-W479 HydrophobicContact CB-CG 3.88Å
465	Q	73.5	Confident	73.7	Confident	128 Å²	128	69.6 Å²	69.6	60%	0.598	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	135.6	173.6	-164.2	172.3	16.5	0	0	111.1	G467 G470 W479	Q465-G467 PolarHBondContact O-N 2.88Å; Q465-G470 WeakPolarHBondContact CG-O 3.47Å; Q465-G470 PolarHBondContact NE2-O 3.46Å; Q465-G470 VanDerWaalsContact NE2-O 3.13Å; Q465-W479 PolarHBondContact O-NE1 3.07Å
466	C	76.6	Confident	73.6	Confident	5 Å²	5	70.8 Å²	70.8	3%	0.034	41%	0.411	C	S	.	.			trans	-74.7	120.9	168.4	-177.4	0	0	0	0	109.5	T468 C469 G470 V471 F473 H482	C466-T468 PolarHBondContact O-N 3.25Å; C466-C469 VanDerWaalsContact CB-SG 3.55Å; C466-C469 VanDerWaalsContact SG-SG 3.66Å; C466-G470 VanDerWaalsContact O-CA 3.25Å; C466-G470 WeakPolarHBondContact O-CA 3.46Å; C466-G470 PolarHBondContact O-N 3.41Å; C466-V471 PolarHBondContact N-O 3.26Å; C466-F473 HydrophobicContact CB-CE2 4.28Å; C466-H482 WeakPolarHBondContact CB-NE2 3.19Å; C466-H482 VanDerWaalsContact SG-CD2 3.55Å; C466-H482 PolarHBondContact SG-NE2 2.82Å
467	G	70.4	Confident	73.7	Confident	87 Å²	87	73 Å²	73	90%	0.897	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.3	178.4	0	0	0	0	0	114.1	Q465	Q465-G467 PolarHBondContact O-N 2.88Å
468	T	67	Low	73.4	Confident	77 Å²	77	73.9 Å²	73.9	47%	0.472	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-37	-176.3	-43.4	0	0	0	0	113.1	C466	C466-T468 PolarHBondContact O-N 3.25Å
469	C	73	Confident	73.3	Confident	58 Å²	58	74.4 Å²	74.4	39%	0.392	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124	-3.3	-175.3	72.2	0	0	0	0	114.4	C466 V471 H482 C486	C466-C469 VanDerWaalsContact CB-SG 3.55Å; C466-C469 VanDerWaalsContact SG-SG 3.66Å; C469-V471 HydrophobicContact CB-CG2 4.47Å; C469-V471 PolarHBondContact O-N 3.02Å; C469-V471 VanDerWaalsContact O-N 3.15Å; C469-V471 WeakPolarHBondContact SG-CG2 3.16Å; C469-V471 PolarHBondContact SG-N 2.91Å; C469-V471 VanDerWaalsContact SG-N 3.44Å; C469-H482 PolarHBondContact SG-CE1 2.89Å; C469-H482 PolarHBondContact SG-NE2 3.37Å; C469-C486 VanDerWaalsContact SG-SG 3.67Å
470	G	74.5	Confident	73.3	Confident	33 Å²	33	77.9 Å²	77.9	34%	0.34	43%	0.434	S	S	.	.			trans	74.4	-4.8	179.5	0	0	0	0	0	115.6	Q465 C466 S472	Q465-G470 WeakPolarHBondContact CG-O 3.47Å; Q465-G470 PolarHBondContact NE2-O 3.46Å; Q465-G470 VanDerWaalsContact NE2-O 3.13Å; C466-G470 VanDerWaalsContact O-CA 3.25Å; C466-G470 WeakPolarHBondContact O-CA 3.46Å; C466-G470 PolarHBondContact O-N 3.41Å; G470-S472 PolarHBondContact O-N 2.77Å
471	V	76.2	Confident	73.9	Confident	70 Å²	70	74 Å²	74	42%	0.424	42%	0.419	S	S	.	.			trans	-65.5	128.7	179	-176.6	0	0	0	0	109.5	C466 C469 F473	C466-V471 PolarHBondContact N-O 3.26Å; C469-V471 HydrophobicContact CB-CG2 4.47Å; C469-V471 PolarHBondContact O-N 3.02Å; C469-V471 VanDerWaalsContact O-N 3.15Å; C469-V471 WeakPolarHBondContact SG-CG2 3.16Å; C469-V471 PolarHBondContact SG-N 2.91Å; C469-V471 VanDerWaalsContact SG-N 3.44Å; V471-F473 HydrophobicContact CB-CE2 3.94Å; V471-F473 HydrophobicContact CB-CZ 3.86Å; V471-F473 HydrophobicContact CG1-CE1 3.92Å; V471-F473 HydrophobicContact CG1-CE2 3.78Å; V471-F473 HydrophobicContact CG1-CZ 3.38Å; V471-F473 VanDerWaalsContact O-CE2 3.23Å; V471-F473 WeakPolarHBondContact O-CE2 3.25Å
472	S	78.5	Confident	74.3	Confident	40 Å²	40	69.1 Å²	69.1	28%	0.28	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	142.9	179.1	-57.8	0	0	0	0	110.6	K462 R464 G470	K462-S472 VanDerWaalsContact CB-CB 3.4Å; K462-S472 WeakPolarHBondContact CD-O 3.45Å; R464-S472 CarbonylContact O-C 3.44Å; R464-S472 WeakPolarHBondContact O-CA 3.13Å; G470-S472 PolarHBondContact O-N 2.77Å
473	F	79.1	Confident	74.3	Confident	29 Å²	29	65.7 Å²	65.7	13%	0.127	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143.5	-178.8	-56.8	-87	0	0	0	111.3	K462 R464 C466 V471 E478 W479 H482	K462-F473 CarbonylContact C-O 3.55Å; K462-F473 VanDerWaalsContact C-O 3.3Å; K462-F473 WeakPolarHBondContact CA-O 3.33Å; R464-F473 HydrophobicContact CB-CB 4.43Å; R464-F473 PolarHBondContact N-O 3.24Å; R464-F473 WeakPolarHBondContact O-CD2 3.48Å; R464-F473 PolarHBondContact O-N 2.71Å; C466-F473 HydrophobicContact CB-CE2 4.28Å; V471-F473 HydrophobicContact CB-CE2 3.94Å; V471-F473 HydrophobicContact CB-CZ 3.86Å; V471-F473 HydrophobicContact CG1-CE1 3.92Å; V471-F473 HydrophobicContact CG1-CE2 3.78Å; V471-F473 HydrophobicContact CG1-CZ 3.38Å; V471-F473 VanDerWaalsContact O-CE2 3.23Å; V471-F473 WeakPolarHBondContact O-CE2 3.25Å; F473-E478 HydrophobicContact CB-CB 4.27Å; F473-E478 HydrophobicContact CD1-CB 3.71Å; F473-E478 HydrophobicContact CG-CB 4.28Å; F473-W479 HydrophobicContact CB-CB 3.97Å; F473-W479 HydrophobicContact CD2-CB 3.93Å; F473-W479 AromaticContact CD2-CD1 3.85Å; F473-W479 HydrophobicContact CD2-CG 4.31Å; F473-W479 HydrophobicContact CG-CB 4.07Å; F473-H482 HydrophobicContact CE1-CB 3.84Å; F473-H482 HydrophobicContact CE2-CB 3.77Å; F473-H482 AromaticContact CE2-CD2 3.38Å; F473-H482 WeakPolarHBondContact CE2-CD2 3.47Å; F473-H482 AromaticContact CE2-CG 3.5Å; F473-H482 VanDerWaalsContact CE2-CG 3.5Å; F473-H482 HydrophobicContact CZ-CB 3.32Å; F473-H482 AromaticContact CZ-CD2 3.49Å; F473-H482 VanDerWaalsContact CZ-CD2 3.49Å; F473-H482 WeakPolarHBondContact CZ-CD2 3.39Å; F473-H482 AromaticContact CZ-CG 3.1Å; F473-H482 AromaticContact CZ-ND1 3.5Å
474	S	73	Confident	74.4	Confident	31 Å²	31	66.8 Å²	66.8	22%	0.217	39%	0.392	C	S	.	.	S	Bend	trans	-82.6	-24.9	173.8	56.2	0	0	0	0	111.8
475	S	72.2	Confident	74.2	Confident	27 Å²	27	64.4 Å²	64.4	19%	0.189	39%	0.389	C	S	.	.	S	Bend	trans	-110.3	143.1	-178.6	178.8	0	0	0	0	114	V477 W479	S475-V477 VanDerWaalsContact C-N 3.26Å; S475-V477 PolarHBondContact O-N 3.03Å; S475-V477 PolarHBondContact OG-N 2.85Å; S475-W479 PolarHBondContact O-N 3.44Å; S475-W479 VanDerWaalsContact O-N 3.09Å
476	L	76.9	Confident	73.9	Confident	67 Å²	67	58.5 Å²	58.5	35%	0.351	36%	0.362	S	S	.	.	H	α-helix	trans	-61.9	-35	171.2	175.4	57.8	0	0	0	112.4	R464 W479 K480	R464-L476 VanDerWaalsContact CZ-CB 3.44Å; L476-W479 HydrophobicContact CD1-CE3 3.85Å; L476-W479 HydrophobicContact CD1-CZ3 4.16Å; L476-K480 HydrophobicContact CD1-CD 4.13Å; L476-K480 HydrophobicContact CD1-CG 3.99Å; L476-K480 HydrophobicContact CG-CD 4.32Å; L476-K480 WeakPolarHBondContact O-CB 3.24Å; L476-K480 WeakPolarHBondContact O-CG 3.35Å; L476-K480 PolarHBondContact O-N 3.45Å
477	V	77	Confident	73.1	Confident	110 Å²	110	61.6 Å²	61.6	67%	0.667	38%	0.384	S	S	*	.	H	α-helix	trans	-71.2	-43.1	-175.9	-180	0	0	0	0	110.1	S475 K480 S481	S475-V477 VanDerWaalsContact C-N 3.26Å; S475-V477 PolarHBondContact O-N 3.03Å; S475-V477 PolarHBondContact OG-N 2.85Å; V477-K480 PolarHBondContact O-N 3.29Å; V477-S481 WeakPolarHBondContact O-CB 3.49Å; V477-S481 PolarHBondContact O-N 3.03Å
478	E	73.7	Confident	72.4	Confident	99 Å²	99	62.7 Å²	62.7	46%	0.463	37%	0.369	S	S	.	.	H	α-helix	trans	-63.6	-47.4	175.3	-66.2	170.4	177.7	0	0	111	F473 K480 S481 H482	F473-E478 HydrophobicContact CB-CB 4.27Å; F473-E478 HydrophobicContact CD1-CB 3.71Å; F473-E478 HydrophobicContact CG-CB 4.28Å; E478-K480 VanDerWaalsContact C-N 3.34Å; E478-K480 PolarHBondContact O-N 3.34Å; E478-S481 PolarHBondContact O-N 3.1Å; E478-H482 VanDerWaalsContact O-CB 3.22Å; E478-H482 WeakPolarHBondContact O-CB 3.25Å; E478-H482 PolarHBondContact O-N 2.66Å
479	W	80.7	Confident	71.9	Confident	77 Å²	77	65.3 Å²	65.3	29%	0.292	38%	0.38	S	S	.	.	H	α-helix	trans	-61	-41.4	175.6	175.8	82.7	0	0	0	112.1	R464 Q465 F473 S475 L476 H482 S483	R464-W479 HydrophobicContact CB-CB 3.95Å; R464-W479 HydrophobicContact CB-CG 3.88Å; Q465-W479 PolarHBondContact O-NE1 3.07Å; F473-W479 HydrophobicContact CB-CB 3.97Å; F473-W479 HydrophobicContact CD2-CB 3.93Å; F473-W479 AromaticContact CD2-CD1 3.85Å; F473-W479 HydrophobicContact CD2-CG 4.31Å; F473-W479 HydrophobicContact CG-CB 4.07Å; S475-W479 PolarHBondContact O-N 3.44Å; S475-W479 VanDerWaalsContact O-N 3.09Å; L476-W479 HydrophobicContact CD1-CE3 3.85Å; L476-W479 HydrophobicContact CD1-CZ3 4.16Å; W479-H482 PolarHBondContact O-N 3.48Å; W479-S483 VanDerWaalsContact O-CB 3.23Å; W479-S483 WeakPolarHBondContact O-CB 3.37Å; W479-S483 PolarHBondContact O-N 3.31Å; W479-S483 PolarHBondContact O-OG 2.81Å
480	K	74.5	Confident	71.1	Confident	117 Å²	117	64.2 Å²	64.2	51%	0.509	38%	0.375	S	S	.	.	H	α-helix	trans	-63.4	-50.6	177	-86.5	-176.5	172	-177.1	0	111.5	L476 V477 E478 H482 S483 T484	L476-K480 HydrophobicContact CD1-CD 4.13Å; L476-K480 HydrophobicContact CD1-CG 3.99Å; L476-K480 HydrophobicContact CG-CD 4.32Å; L476-K480 WeakPolarHBondContact O-CB 3.24Å; L476-K480 WeakPolarHBondContact O-CG 3.35Å; L476-K480 PolarHBondContact O-N 3.45Å; V477-K480 PolarHBondContact O-N 3.29Å; E478-K480 VanDerWaalsContact C-N 3.34Å; E478-K480 PolarHBondContact O-N 3.34Å; K480-H482 VanDerWaalsContact C-N 3.27Å; K480-H482 PolarHBondContact O-N 3.32Å; K480-S483 WeakPolarHBondContact CA-OG 3.48Å; K480-S483 PolarHBondContact O-N 3.39Å; K480-S483 VanDerWaalsContact O-N 3.14Å; K480-S483 PolarHBondContact O-OG 3.13Å; K480-T484 PolarHBondContact O-N 2.9Å; K480-T484 PolarHBondContact O-OG1 3.44Å; K480-T484 VanDerWaalsContact O-OG1 3.05Å
481	S	75.3	Confident	70.4	Confident	79 Å²	79	64.6 Å²	64.6	55%	0.552	37%	0.367	S	S	*	.	H	α-helix	trans	-57.7	-41.7	177.6	-179	0	0	0	0	111.9	V477 E478 T484 S485	V477-S481 WeakPolarHBondContact O-CB 3.49Å; V477-S481 PolarHBondContact O-N 3.03Å; E478-S481 PolarHBondContact O-N 3.1Å; S481-T484 PolarHBondContact O-OG1 3.05Å; S481-S485 PolarHBondContact O-N 2.77Å; S481-S485 PolarHBondContact O-OG 2.82Å
482	H	76.8	Confident	69.9	Low	27 Å²	27	68.8 Å²	68.8	13%	0.125	38%	0.38	C	S	.	.	H	α-helix	trans	-66.6	-48.4	173.2	175.9	80.3	0	0	0	111.8	C466 C469 F473 E478 W479 K480 T484 S485 C486	C466-H482 WeakPolarHBondContact CB-NE2 3.19Å; C466-H482 VanDerWaalsContact SG-CD2 3.55Å; C466-H482 PolarHBondContact SG-NE2 2.82Å; C469-H482 PolarHBondContact SG-CE1 2.89Å; C469-H482 PolarHBondContact SG-NE2 3.37Å; F473-H482 HydrophobicContact CE1-CB 3.84Å; F473-H482 HydrophobicContact CE2-CB 3.77Å; F473-H482 AromaticContact CE2-CD2 3.38Å; F473-H482 WeakPolarHBondContact CE2-CD2 3.47Å; F473-H482 AromaticContact CE2-CG 3.5Å; F473-H482 VanDerWaalsContact CE2-CG 3.5Å; F473-H482 HydrophobicContact CZ-CB 3.32Å; F473-H482 AromaticContact CZ-CD2 3.49Å; F473-H482 VanDerWaalsContact CZ-CD2 3.49Å; F473-H482 WeakPolarHBondContact CZ-CD2 3.39Å; F473-H482 AromaticContact CZ-CG 3.1Å; F473-H482 AromaticContact CZ-ND1 3.5Å; E478-H482 VanDerWaalsContact O-CB 3.22Å; E478-H482 WeakPolarHBondContact O-CB 3.25Å; E478-H482 PolarHBondContact O-N 2.66Å; W479-H482 PolarHBondContact O-N 3.48Å; K480-H482 VanDerWaalsContact C-N 3.27Å; K480-H482 PolarHBondContact O-N 3.32Å; H482-T484 PolarHBondContact O-N 3.46Å; H482-S485 WeakPolarHBondContact CA-OG 3.42Å; H482-S485 CarbonylContact O-C 3.45Å; H482-S485 PolarHBondContact O-N 2.94Å; H482-S485 PolarHBondContact O-OG 3.5Å; H482-C486 VanDerWaalsContact NE2-CB 3.33Å; H482-C486 WeakPolarHBondContact NE2-CB 3.45Å; H482-C486 PolarHBondContact NE2-SG 2.87Å; H482-C486 VanDerWaalsContact NE2-SG 3.38Å; H482-C486 WeakPolarHBondContact O-CA 3.5Å; H482-C486 WeakPolarHBondContact O-CB 3.38Å; H482-C486 PolarHBondContact O-N 2.86Å
483	S	71.3	Confident	69.7	Low	42 Å²	42	69.6 Å²	69.6	29%	0.294	38%	0.379	S	S	.	.	H	α-helix	trans	-59.8	-35.7	-178.1	70.4	0	0	0	0	112.5	W479 K480 S485 C486	W479-S483 VanDerWaalsContact O-CB 3.23Å; W479-S483 WeakPolarHBondContact O-CB 3.37Å; W479-S483 PolarHBondContact O-N 3.31Å; W479-S483 PolarHBondContact O-OG 2.81Å; K480-S483 WeakPolarHBondContact CA-OG 3.48Å; K480-S483 PolarHBondContact O-N 3.39Å; K480-S483 VanDerWaalsContact O-N 3.14Å; K480-S483 PolarHBondContact O-OG 3.13Å; S483-S485 VanDerWaalsContact C-N 3.35Å; S483-C486 PolarHBondContact O-N 3.43Å
484	T	70.2	Confident	69.6	Low	108 Å²	108	70.6 Å²	70.6	66%	0.663	39%	0.388	S	S	*	.	H	α-helix	trans	-72.6	-28.1	175.9	48.3	0	0	0	0	112.9	K480 S481 H482	K480-T484 PolarHBondContact O-N 2.9Å; K480-T484 PolarHBondContact O-OG1 3.44Å; K480-T484 VanDerWaalsContact O-OG1 3.05Å; S481-T484 PolarHBondContact O-OG1 3.05Å; H482-T484 PolarHBondContact O-N 3.46Å
485	S	67.5	Low	70	Confident	41 Å²	41	69.2 Å²	69.2	29%	0.287	38%	0.378	S	S	.	.	H	α-helix	trans	-93	-14	175	53.1	0	0	0	0	112.9	S481 H482 S483 S487 A490 F491	S481-S485 PolarHBondContact O-N 2.77Å; S481-S485 PolarHBondContact O-OG 2.82Å; H482-S485 WeakPolarHBondContact CA-OG 3.42Å; H482-S485 CarbonylContact O-C 3.45Å; H482-S485 PolarHBondContact O-N 2.94Å; H482-S485 PolarHBondContact O-OG 3.5Å; S483-S485 VanDerWaalsContact C-N 3.35Å; S485-S487 VanDerWaalsContact C-N 3.25Å; S485-S487 PolarHBondContact O-N 2.87Å; S485-A490 VanDerWaalsContact O-CB 3.26Å; S485-A490 WeakPolarHBondContact O-CB 3.45Å; S485-F491 WeakPolarHBondContact O-CE2 3.35Å
486	C	66.8	Low	70.4	Confident	5 Å²	5	75.7 Å²	75.7	3%	0.034	41%	0.405	C	S	.	.			trans	-93.3	42.8	-178.2	-162.7	0	0	0	0	112.9	C469 H482 S483 F491	C469-C486 VanDerWaalsContact SG-SG 3.67Å; H482-C486 VanDerWaalsContact NE2-CB 3.33Å; H482-C486 WeakPolarHBondContact NE2-CB 3.45Å; H482-C486 PolarHBondContact NE2-SG 2.87Å; H482-C486 VanDerWaalsContact NE2-SG 3.38Å; H482-C486 WeakPolarHBondContact O-CA 3.5Å; H482-C486 WeakPolarHBondContact O-CB 3.38Å; H482-C486 PolarHBondContact O-N 2.86Å; S483-C486 PolarHBondContact O-N 3.43Å; C486-F491 HydrophobicContact CB-CE2 4.32Å
487	S	60.9	Low	70.5	Confident	69 Å²	69	78.1 Å²	78.1	48%	0.483	42%	0.418	S	S	.	.	S	Bend	trans	-83.3	128.3	154.1	-58.2	0	0	0	0	106.9	S485 D489 A490	S485-S487 VanDerWaalsContact C-N 3.25Å; S485-S487 PolarHBondContact O-N 2.87Å; S487-D489 PolarHBondContact O-N 3.5Å; S487-A490 WeakPolarHBondContact O-CB 3.3Å; S487-A490 PolarHBondContact O-N 2.95Å
488	N	55.5	Low	70.6	Confident	110 Å²	110	75.8 Å²	75.8	59%	0.588	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-20.7	-179.3	-84.5	-31.1	0	0	0	113.4
489	D	55.7	Low	70.9	Confident	133 Å²	133	73.2 Å²	73.2	71%	0.711	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-17.3	173.2	-90.8	-54.1	0	0	0	115.7	S487 K492	S487-D489 PolarHBondContact O-N 3.5Å; D489-K492 WeakPolarHBondContact O-CE 3.43Å
490	A	57.6	Low	70.6	Confident	34 Å²	34	73.3 Å²	73.3	28%	0.281	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-31.9	-176.8	0	0	0	0	0	112.4	S485 S487 K492 T503	S485-A490 VanDerWaalsContact O-CB 3.26Å; S485-A490 WeakPolarHBondContact O-CB 3.45Å; S487-A490 WeakPolarHBondContact O-CB 3.3Å; S487-A490 PolarHBondContact O-N 2.95Å; A490-K492 PolarHBondContact O-N 3.03Å; A490-K492 VanDerWaalsContact O-N 3.12Å; A490-T503 HydrophobicContact CB-CG2 4.21Å; A490-T503 VanDerWaalsContact O-CA 3.22Å; A490-T503 WeakPolarHBondContact O-CA 3.15Å
491	F	58.7	Low	70.6	Confident	41 Å²	41	74.6 Å²	74.6	18%	0.18	41%	0.414	C	S	.	.			trans	-90.4	58.2	-173.6	-69.1	-75.8	0	0	0	113.6	S485 C486 H493 R501 F502 T503	S485-F491 WeakPolarHBondContact O-CE2 3.35Å; C486-F491 HydrophobicContact CB-CE2 4.32Å; F491-H493 VanDerWaalsContact C-N 3.29Å; F491-H493 PolarHBondContact O-N 3.5Å; F491-R501 HydrophobicContact CB-CB 3.88Å; F491-R501 HydrophobicContact CD1-CB 4.26Å; F491-R501 WeakPolarHBondContact CD1-O 3.4Å; F491-R501 HydrophobicContact CG-CB 4.32Å; F491-F502 CarbonylContact C-O 3.56Å; F491-F502 WeakPolarHBondContact CA-O 3.23Å; F491-T503 HydrophobicContact CD1-CG2 3.66Å; F491-T503 HydrophobicContact CE1-CG2 3.46Å; F491-T503 VanDerWaalsContact CE1-CG2 3.46Å; F491-T503 HydrophobicContact CE2-CG2 4.5Å; F491-T503 HydrophobicContact CG-CG2 4.27Å; F491-T503 HydrophobicContact CZ-CG2 3.91Å
492	K	66.6	Low	70.7	Confident	158 Å²	158	72.4 Å²	72.4	69%	0.687	39%	0.394	S	S	*	.			trans	-71.2	-18	-177.8	-66.9	-174.6	180	-177.7	0	114.4	D489 A490	D489-K492 WeakPolarHBondContact O-CE 3.43Å; A490-K492 PolarHBondContact O-N 3.03Å; A490-K492 VanDerWaalsContact O-N 3.12Å
493	H	73.8	Confident	70.3	Confident	57 Å²	57	73.4 Å²	73.4	26%	0.264	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	106.8	-170.2	-57.5	-64.1	0	0	0	111.5	F491 F502 V505 L508	F491-H493 VanDerWaalsContact C-N 3.29Å; F491-H493 PolarHBondContact O-N 3.5Å; H493-F502 HydrophobicContact CB-CB 4.28Å; H493-F502 PolarHBondContact N-O 3.09Å; H493-F502 WeakPolarHBondContact O-CD2 3.21Å; H493-F502 PolarHBondContact O-N 3.25Å; H493-V505 PolarHBondContact CD2-N 3.45Å; H493-V505 VanDerWaalsContact CD2-N 3.27Å; H493-V505 WeakPolarHBondContact CE1-CG2 3.35Å; H493-V505 WeakPolarHBondContact NE2-CG2 3.28Å; H493-L508 HydrophobicContact CB-CB 4.14Å; H493-L508 HydrophobicContact CB-CD2 3.93Å
494	V	77.6	Confident	70.3	Confident	51 Å²	51	74 Å²	74	31%	0.309	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	135.4	-179.2	-174.3	0	0	0	0	110.5	Q496 D500 R501	V494-Q496 PolarHBondContact O-N 3.37Å; V494-D500 CarbonylContact C-O 3.58Å; V494-D500 WeakPolarHBondContact CA-O 3.46Å; V494-R501 HydrophobicContact CG2-CG 4.23Å
495	C	81.5	Confident	70.6	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.007	39%	0.393	C	S	.	.			trans	-76.4	114	169	-174	0	0	0	0	110.2	L497 C498 G499 D500 F502 L508 H511 H516	C495-L497 PolarHBondContact O-N 3.32Å; C495-L497 VanDerWaalsContact O-N 3.14Å; C495-C498 VanDerWaalsContact CB-SG 3.59Å; C495-C498 PolarHBondContact O-N 3.37Å; C495-C498 VanDerWaalsContact SG-SG 3.7Å; C495-G499 WeakPolarHBondContact O-CA 3.35Å; C495-G499 PolarHBondContact O-N 3.01Å; C495-D500 HydrophobicContact CB-CB 4.49Å; C495-D500 PolarHBondContact N-O 3.14Å; C495-F502 HydrophobicContact CB-CE2 4Å; C495-L508 VanDerWaalsContact CA-CD1 3.5Å; C495-L508 HydrophobicContact CB-CD1 3.57Å; C495-H511 VanDerWaalsContact SG-CD2 3.53Å; C495-H511 PolarHBondContact SG-NE2 2.79Å; C495-H516 PolarHBondContact SG-NE2 2.9Å; C495-H516 VanDerWaalsContact SG-NE2 3.38Å
496	Q	79.6	Confident	71.1	Confident	163 Å²	163	76 Å²	76	76%	0.762	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-9.4	179.1	-57.6	-62.9	-11.1	0	0	114	V494	V494-Q496 PolarHBondContact O-N 3.37Å
497	L	78.5	Confident	71.5	Confident	119 Å²	119	80.4 Å²	80.4	62%	0.623	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-24.7	-179.5	-62.6	174.6	0	0	0	113.3	C495 H516	C495-L497 PolarHBondContact O-N 3.32Å; C495-L497 VanDerWaalsContact O-N 3.14Å; L497-H516 VanDerWaalsContact CB-CE1 3.46Å; L497-H516 WeakPolarHBondContact CB-CE1 3.37Å; L497-H516 WeakPolarHBondContact CB-NE2 3.35Å; L497-H516 HydrophobicContact CD1-CB 3.81Å
498	C	81	Confident	72.4	Confident	60 Å²	60	78.1 Å²	78.1	41%	0.405	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.2	-8.1	-178.1	68.1	0	0	0	0	115.3	C495 D500 H511	C495-C498 VanDerWaalsContact CB-SG 3.59Å; C495-C498 PolarHBondContact O-N 3.37Å; C495-C498 VanDerWaalsContact SG-SG 3.7Å; C498-D500 VanDerWaalsContact C-N 3.32Å; C498-D500 PolarHBondContact O-N 3.34Å; C498-D500 VanDerWaalsContact SG-CB 3.58Å; C498-D500 PolarHBondContact SG-N 3.25Å; C498-D500 VanDerWaalsContact SG-N 3.43Å; C498-D500 PolarHBondContact SG-OD2 2.95Å; C498-H511 PolarHBondContact SG-CE1 2.87Å; C498-H511 PolarHBondContact SG-NE2 3.09Å
499	G	78.1	Confident	73.6	Confident	45 Å²	45	79.5 Å²	79.5	46%	0.464	41%	0.408	S	S	.	.			trans	83.4	-4.4	-178.2	0	0	0	0	0	115.7	C495 R501	C495-G499 WeakPolarHBondContact O-CA 3.35Å; C495-G499 PolarHBondContact O-N 3.01Å; G499-R501 PolarHBondContact O-N 2.64Å
500	D	75	Confident	74.4	Confident	80 Å²	80	77.4 Å²	77.4	43%	0.428	39%	0.391	S	S	.	.			trans	-61.4	136.2	179.8	-71.5	-26	0	0	0	111.7	V494 C495 C498 F502 H511	V494-D500 CarbonylContact C-O 3.58Å; V494-D500 WeakPolarHBondContact CA-O 3.46Å; C495-D500 HydrophobicContact CB-CB 4.49Å; C495-D500 PolarHBondContact N-O 3.14Å; C498-D500 VanDerWaalsContact C-N 3.32Å; C498-D500 PolarHBondContact O-N 3.34Å; C498-D500 VanDerWaalsContact SG-CB 3.58Å; C498-D500 PolarHBondContact SG-N 3.25Å; C498-D500 VanDerWaalsContact SG-N 3.43Å; C498-D500 PolarHBondContact SG-OD2 2.95Å; D500-F502 HydrophobicContact CB-CE2 3.56Å; D500-F502 HydrophobicContact CB-CZ 3.54Å; D500-F502 WeakPolarHBondContact O-CD2 3.4Å; D500-F502 VanDerWaalsContact O-CE2 3.26Å; D500-F502 WeakPolarHBondContact O-CE2 3.46Å; D500-H511 IonicContact OD2-CE1 3.82Å; D500-H511 PolarHBondContact OD2-CE1 3.36Å; D500-H511 IonicContact OD2-ND1 2.82Å; D500-H511 IonicContact OD2-NE2 3.76Å
501	R	75.8	Confident	75.4	Confident	143 Å²	143	76.3 Å²	76.3	54%	0.54	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	135	-177.8	-45.3	-179.4	74.8	161.4	2.8	110.8	F491 V494 G499	F491-R501 HydrophobicContact CB-CB 3.88Å; F491-R501 HydrophobicContact CD1-CB 4.26Å; F491-R501 WeakPolarHBondContact CD1-O 3.4Å; F491-R501 HydrophobicContact CG-CB 4.32Å; V494-R501 HydrophobicContact CG2-CG 4.23Å; G499-R501 PolarHBondContact O-N 2.64Å
502	F	76.9	Confident	76.4	Confident	33 Å²	33	77.8 Å²	77.8	15%	0.145	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.8	-174.9	-59.2	-83	0	0	0	111.7	F491 H493 C495 D500 T504 H507 L508 H511	F491-F502 CarbonylContact C-O 3.56Å; F491-F502 WeakPolarHBondContact CA-O 3.23Å; H493-F502 HydrophobicContact CB-CB 4.28Å; H493-F502 PolarHBondContact N-O 3.09Å; H493-F502 WeakPolarHBondContact O-CD2 3.21Å; H493-F502 PolarHBondContact O-N 3.25Å; C495-F502 HydrophobicContact CB-CE2 4Å; D500-F502 HydrophobicContact CB-CE2 3.56Å; D500-F502 HydrophobicContact CB-CZ 3.54Å; D500-F502 WeakPolarHBondContact O-CD2 3.4Å; D500-F502 VanDerWaalsContact O-CE2 3.26Å; D500-F502 WeakPolarHBondContact O-CE2 3.46Å; F502-T504 VanDerWaalsContact C-N 3.34Å; F502-H507 HydrophobicContact CB-CB 4.13Å; F502-H507 HydrophobicContact CD1-CB 3.8Å; F502-H507 HydrophobicContact CG-CB 4.29Å; F502-L508 HydrophobicContact CB-CB 4.11Å; F502-L508 HydrophobicContact CD2-CB 3.79Å; F502-L508 HydrophobicContact CD2-CD1 3.61Å; F502-L508 HydrophobicContact CD2-CG 4.29Å; F502-L508 HydrophobicContact CE2-CD1 3.78Å; F502-L508 HydrophobicContact CG-CB 4.04Å; F502-H511 HydrophobicContact CD1-CB 4.47Å; F502-H511 HydrophobicContact CE1-CB 3.57Å; F502-H511 AromaticContact CE1-CG 3.93Å; F502-H511 HydrophobicContact CE2-CB 3.92Å; F502-H511 AromaticContact CE2-CD2 3.72Å; F502-H511 AromaticContact CE2-CG 3.7Å; F502-H511 HydrophobicContact CZ-CB 3.26Å; F502-H511 AromaticContact CZ-CD2 3.64Å; F502-H511 AromaticContact CZ-CG 3.13Å; F502-H511 AromaticContact CZ-ND1 3.45Å; F502-H511 WeakPolarHBondContact CZ-ND1 3.44Å
503	T	68.3	Low	76.6	Confident	48 Å²	48	76.2 Å²	76.2	29%	0.294	38%	0.376	S	S	.	.	S	Bend	trans	-74.4	-23.7	-179.9	52.5	0	0	0	0	113.9	A490 F491	A490-T503 HydrophobicContact CB-CG2 4.21Å; A490-T503 VanDerWaalsContact O-CA 3.22Å; A490-T503 WeakPolarHBondContact O-CA 3.15Å; F491-T503 HydrophobicContact CD1-CG2 3.66Å; F491-T503 HydrophobicContact CE1-CG2 3.46Å; F491-T503 VanDerWaalsContact CE1-CG2 3.46Å; F491-T503 HydrophobicContact CE2-CG2 4.5Å; F491-T503 HydrophobicContact CG-CG2 4.27Å; F491-T503 HydrophobicContact CZ-CG2 3.91Å
504	T	70.1	Confident	76.3	Confident	56 Å²	56	74.9 Å²	74.9	34%	0.344	37%	0.372	S	S	.	.	S	Bend	trans	-142	152.8	-178.1	65.1	0	0	0	0	110.7	F502 I506 H507 L508	F502-T504 VanDerWaalsContact C-N 3.34Å; T504-I506 PolarHBondContact O-N 3.07Å; T504-H507 PolarHBondContact O-N 3.26Å; T504-H507 PolarHBondContact OG1-N 3.37Å; T504-L508 PolarHBondContact O-N 2.93Å
505	V	77.6	Confident	76.1	Confident	68 Å²	68	76.4 Å²	76.4	41%	0.412	38%	0.381	S	S	.	.	H	α-helix	trans	-57.5	-32	174.4	-178.5	0	0	0	0	111.5	H493 L508 R509	H493-V505 PolarHBondContact CD2-N 3.45Å; H493-V505 VanDerWaalsContact CD2-N 3.27Å; H493-V505 WeakPolarHBondContact CE1-CG2 3.35Å; H493-V505 WeakPolarHBondContact NE2-CG2 3.28Å; V505-L508 PolarHBondContact O-N 3.27Å; V505-R509 WeakPolarHBondContact O-CB 3.42Å; V505-R509 PolarHBondContact O-N 3.45Å
506	I	78	Confident	76	Confident	122 Å²	122	79.7 Å²	79.7	63%	0.626	40%	0.396	S	S	*	.	H	α-helix	trans	-62.3	-47	179.7	-59.4	175.4	0	0	0	110.4	T504 R509 Y510	T504-I506 PolarHBondContact O-N 3.07Å; I506-R509 PolarHBondContact O-N 2.93Å; I506-Y510 WeakPolarHBondContact O-CB 3.44Å; I506-Y510 PolarHBondContact O-N 3.09Å
507	H	75.4	Confident	75.6	Confident	98 Å²	98	77.2 Å²	77.2	45%	0.454	39%	0.385	S	S	.	.	H	α-helix	trans	-67.7	-37.5	177.5	-69.1	158.5	0	0	0	112.5	F502 T504 Y510 H511	F502-H507 HydrophobicContact CB-CB 4.13Å; F502-H507 HydrophobicContact CD1-CB 3.8Å; F502-H507 HydrophobicContact CG-CB 4.29Å; T504-H507 PolarHBondContact O-N 3.26Å; T504-H507 PolarHBondContact OG1-N 3.37Å; H507-Y510 PolarHBondContact O-N 3.1Å; H507-H511 WeakPolarHBondContact O-CB 3.4Å; H507-H511 PolarHBondContact O-N 3.29Å
508	L	80.2	Confident	74.9	Confident	21 Å²	21	79 Å²	79	11%	0.11	39%	0.388	C	S	.	.	H	α-helix	trans	-61.7	-44.2	172.5	173	61.1	0	0	0	111.8	H493 C495 F502 T504 V505 Y510 H511 K512	H493-L508 HydrophobicContact CB-CB 4.14Å; H493-L508 HydrophobicContact CB-CD2 3.93Å; C495-L508 VanDerWaalsContact CA-CD1 3.5Å; C495-L508 HydrophobicContact CB-CD1 3.57Å; F502-L508 HydrophobicContact CB-CB 4.11Å; F502-L508 HydrophobicContact CD2-CB 3.79Å; F502-L508 HydrophobicContact CD2-CD1 3.61Å; F502-L508 HydrophobicContact CD2-CG 4.29Å; F502-L508 HydrophobicContact CE2-CD1 3.78Å; F502-L508 HydrophobicContact CG-CB 4.04Å; T504-L508 PolarHBondContact O-N 2.93Å; V505-L508 PolarHBondContact O-N 3.27Å; L508-Y510 VanDerWaalsContact C-N 3.34Å; L508-H511 PolarHBondContact O-N 3.03Å; L508-K512 HydrophobicContact CD1-CG 4.32Å; L508-K512 WeakPolarHBondContact O-CG 3.35Å; L508-K512 PolarHBondContact O-N 3.43Å
509	R	80.4	Confident	73.6	Confident	138 Å²	138	79.8 Å²	79.8	52%	0.521	39%	0.39	S	S	.	.	H	α-helix	trans	-65.5	-39.8	178	-170.3	-177.8	-68.2	145.4	-3.5	111.2	V505 I506 K512 R513	V505-R509 WeakPolarHBondContact O-CB 3.42Å; V505-R509 PolarHBondContact O-N 3.45Å; I506-R509 PolarHBondContact O-N 2.93Å; R509-K512 PolarHBondContact O-N 3.06Å; R509-R513 WeakPolarHBondContact O-CB 3.47Å; R509-R513 WeakPolarHBondContact O-CG 3.21Å; R509-R513 PolarHBondContact O-N 2.9Å
510	Y	71.2	Confident	72.7	Confident	89 Å²	89	87.3 Å²	87.3	35%	0.349	41%	0.405	S	S	.	.	H	α-helix	trans	-62.7	-45.5	174.7	-178.2	-98.6	0	0	0	111.5	I506 H507 L508 R513 T514 R533	I506-Y510 WeakPolarHBondContact O-CB 3.44Å; I506-Y510 PolarHBondContact O-N 3.09Å; H507-Y510 PolarHBondContact O-N 3.1Å; L508-Y510 VanDerWaalsContact C-N 3.34Å; Y510-R513 PolarHBondContact O-N 3.23Å; Y510-T514 HydrophobicContact CD1-CG2 4.36Å; Y510-T514 HydrophobicContact CD2-CG2 4.26Å; Y510-T514 HydrophobicContact CE1-CG2 3.84Å; Y510-T514 HydrophobicContact CE2-CG2 3.73Å; Y510-T514 VanDerWaalsContact CZ-CG2 3.47Å; Y510-T514 WeakPolarHBondContact O-CB 3.36Å; Y510-T514 WeakPolarHBondContact O-CG2 3.29Å; Y510-T514 PolarHBondContact O-N 2.96Å; Y510-T514 PolarHBondContact O-OG1 3.26Å; Y510-R533 WeakPolarHBondContact OH-CD 3.4Å; Y510-R533 WeakPolarHBondContact OH-CG 3.32Å; Y510-R533 PolarHBondContact OH-NE 3.31Å
511	H	79	Confident	72.3	Confident	11 Å²	11	86.4 Å²	86.4	5%	0.051	40%	0.402	C	S	.	.	H	α-helix	trans	-60.1	-47.6	173.8	163.7	87.7	0	0	0	112	C495 C498 D500 F502 H507 L508 R513 T514 V515 H516	C495-H511 VanDerWaalsContact SG-CD2 3.53Å; C495-H511 PolarHBondContact SG-NE2 2.79Å; C498-H511 PolarHBondContact SG-CE1 2.87Å; C498-H511 PolarHBondContact SG-NE2 3.09Å; D500-H511 IonicContact OD2-CE1 3.82Å; D500-H511 PolarHBondContact OD2-CE1 3.36Å; D500-H511 IonicContact OD2-ND1 2.82Å; D500-H511 IonicContact OD2-NE2 3.76Å; F502-H511 HydrophobicContact CD1-CB 4.47Å; F502-H511 HydrophobicContact CE1-CB 3.57Å; F502-H511 AromaticContact CE1-CG 3.93Å; F502-H511 HydrophobicContact CE2-CB 3.92Å; F502-H511 AromaticContact CE2-CD2 3.72Å; F502-H511 AromaticContact CE2-CG 3.7Å; F502-H511 HydrophobicContact CZ-CB 3.26Å; F502-H511 AromaticContact CZ-CD2 3.64Å; F502-H511 AromaticContact CZ-CG 3.13Å; F502-H511 AromaticContact CZ-ND1 3.45Å; F502-H511 WeakPolarHBondContact CZ-ND1 3.44Å; H507-H511 WeakPolarHBondContact O-CB 3.4Å; H507-H511 PolarHBondContact O-N 3.29Å; L508-H511 PolarHBondContact O-N 3.03Å; H511-R513 VanDerWaalsContact C-N 3.27Å; H511-R513 PolarHBondContact O-N 2.87Å; H511-T514 PolarHBondContact O-N 2.83Å; H511-T514 PolarHBondContact O-OG1 3.25Å; H511-V515 WeakPolarHBondContact ND1-CG2 3.46Å; H511-V515 VanDerWaalsContact O-CB 3.31Å; H511-V515 WeakPolarHBondContact O-CB 3.3Å; H511-V515 PolarHBondContact O-N 3.01Å; H511-H516 AromaticContact CE1-NE2 3.92Å; H511-H516 AromaticContact NE2-CD2 3.58Å; H511-H516 AromaticContact NE2-NE2 3.19Å; H511-H516 PolarHBondContact NE2-NE2 2.89Å; H511-H516 VanDerWaalsContact NE2-NE2 3.19Å
512	K	79	Confident	72	Confident	73 Å²	73	83.1 Å²	83.1	32%	0.317	39%	0.39	S	S	.	.	I	π-helix	trans	-57.2	-40.5	175.3	-74.7	-173.1	177.5	-170.9	0	112.4	L508 R509 H516 Q517	L508-K512 HydrophobicContact CD1-CG 4.32Å; L508-K512 WeakPolarHBondContact O-CG 3.35Å; L508-K512 PolarHBondContact O-N 3.43Å; R509-K512 PolarHBondContact O-N 3.06Å; K512-H516 WeakPolarHBondContact O-CB 3.34Å; K512-H516 PolarHBondContact O-N 3.23Å; K512-Q517 WeakPolarHBondContact O-CG 3.46Å; K512-Q517 PolarHBondContact O-N 3.19Å
513	R	72.5	Confident	71.8	Confident	124 Å²	124	85.5 Å²	85.5	47%	0.468	41%	0.405	S	S	.	.	I	π-helix	trans	-67.9	-45.3	177.7	-78.3	177.3	173.3	170.9	-2.9	113	R509 Y510 H511 K518	R509-R513 WeakPolarHBondContact O-CB 3.47Å; R509-R513 WeakPolarHBondContact O-CG 3.21Å; R509-R513 PolarHBondContact O-N 2.9Å; Y510-R513 PolarHBondContact O-N 3.23Å; H511-R513 VanDerWaalsContact C-N 3.27Å; H511-R513 PolarHBondContact O-N 2.87Å; R513-K518 PolarHBondContact O-N 3.47Å
514	T	67.4	Low	72.2	Confident	30 Å²	30	83.6 Å²	83.6	18%	0.184	39%	0.393	C	S	.	.	I	π-helix	trans	-84.6	-33.3	-172	51	0	0	0	0	114.3	Y510 H511	Y510-T514 HydrophobicContact CD1-CG2 4.36Å; Y510-T514 HydrophobicContact CD2-CG2 4.26Å; Y510-T514 HydrophobicContact CE1-CG2 3.84Å; Y510-T514 HydrophobicContact CE2-CG2 3.73Å; Y510-T514 VanDerWaalsContact CZ-CG2 3.47Å; Y510-T514 WeakPolarHBondContact O-CB 3.36Å; Y510-T514 WeakPolarHBondContact O-CG2 3.29Å; Y510-T514 PolarHBondContact O-N 2.96Å; Y510-T514 PolarHBondContact O-OG1 3.26Å; H511-T514 PolarHBondContact O-N 2.83Å; H511-T514 PolarHBondContact O-OG1 3.25Å
515	V	72.3	Confident	72.1	Confident	83 Å²	83	85.3 Å²	85.3	50%	0.503	40%	0.404	S	S	.	.	I	π-helix	trans	-96.7	-42.4	-176.8	-178.3	0	0	0	0	111.6	H511	H511-V515 WeakPolarHBondContact ND1-CG2 3.46Å; H511-V515 VanDerWaalsContact O-CB 3.31Å; H511-V515 WeakPolarHBondContact O-CB 3.3Å; H511-V515 PolarHBondContact O-N 3.01Å
516	H	80.6	Confident	71.6	Confident	69 Å²	69	88.4 Å²	88.4	32%	0.319	41%	0.414	S	S	.	.	I	π-helix	trans	-101.4	-34.5	-172.7	-61.6	-62.6	0	0	0	114.3	C495 L497 H511 K512	C495-H516 PolarHBondContact SG-NE2 2.9Å; C495-H516 VanDerWaalsContact SG-NE2 3.38Å; L497-H516 VanDerWaalsContact CB-CE1 3.46Å; L497-H516 WeakPolarHBondContact CB-CE1 3.37Å; L497-H516 WeakPolarHBondContact CB-NE2 3.35Å; L497-H516 HydrophobicContact CD1-CB 3.81Å; H511-H516 AromaticContact CE1-NE2 3.92Å; H511-H516 AromaticContact NE2-CD2 3.58Å; H511-H516 AromaticContact NE2-NE2 3.19Å; H511-H516 PolarHBondContact NE2-NE2 2.89Å; H511-H516 VanDerWaalsContact NE2-NE2 3.19Å; K512-H516 WeakPolarHBondContact O-CB 3.34Å; K512-H516 PolarHBondContact O-N 3.23Å
517	Q	71.3	Confident	71.6	Confident	111 Å²	111	85.2 Å²	85.2	52%	0.519	40%	0.401	S	S	.	.	I	π-helix	trans	-98.1	-25.7	-174.9	-63.7	174	-19.4	0	0	113	K512 T519	K512-Q517 WeakPolarHBondContact O-CG 3.46Å; K512-Q517 PolarHBondContact O-N 3.19Å; Q517-T519 HydrophobicContact CB-CG2 3.9Å; Q517-T519 WeakPolarHBondContact CB-OG1 3.36Å; Q517-T519 WeakPolarHBondContact O-CG2 3.42Å; Q517-T519 PolarHBondContact O-N 2.92Å
518	K	62	Low	71.6	Confident	158 Å²	158	83.3 Å²	83.3	69%	0.687	41%	0.409	S	S	*	.			trans	47.1	25.8	-170.8	-69.4	-176.8	178.4	178.6	0	113.2	R513	R513-K518 PolarHBondContact O-N 3.47Å
519	T	54.1	Low	71.3	Confident	76 Å²	76	87.5 Å²	87.5	47%	0.466	43%	0.428	S	S	.	.			trans	-89.8	120.3	-174	49.6	0	0	0	0	109.6	Q517	Q517-T519 HydrophobicContact CB-CG2 3.9Å; Q517-T519 WeakPolarHBondContact CB-OG1 3.36Å; Q517-T519 WeakPolarHBondContact O-CG2 3.42Å; Q517-T519 PolarHBondContact O-N 2.92Å
520	R	58.7	Low	71	Confident	202 Å²	202	84.2 Å²	84.2	76%	0.762	43%	0.426	S	S	*	.			trans	87.6	92.2	-174.2	-62.7	-177.3	156.8	169.2	-5.6	114.5
521	T	68	Low	71	Confident	62 Å²	62	81.5 Å²	81.5	38%	0.38	42%	0.416	S	S	.	.			trans	-94.2	151.2	159.9	52.8	0	0	0	0	109.7	D523 F531 L532	T521-D523 VanDerWaalsContact CB-OD1 3.22Å; T521-D523 WeakPolarHBondContact CB-OD1 3.5Å; T521-D523 PolarHBondContact OG1-OD1 3.04Å; T521-D523 PolarHBondContact OG1-OD2 3.21Å; T521-F531 CarbonylContact C-O 3.46Å; T521-F531 WeakPolarHBondContact CA-O 3.34Å; T521-L532 HydrophobicContact CG2-CD2 4.45Å
522	Y	68.9	Low	70.4	Confident	73 Å²	73	84.9 Å²	84.9	29%	0.286	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	107.1	166.9	-65.4	-86.3	0	0	0	105.8	F531 L534 F537	Y522-F531 WeakPolarHBondContact CD2-O 3.48Å; Y522-F531 PolarHBondContact N-O 3.44Å; Y522-F531 WeakPolarHBondContact O-CD2 3.15Å; Y522-F531 PolarHBondContact O-N 2.9Å; Y522-L534 HydrophobicContact CD1-CD1 3.84Å; Y522-L534 HydrophobicContact CD2-CB 4.48Å; Y522-L534 HydrophobicContact CE1-CB 4.03Å; Y522-L534 HydrophobicContact CE1-CD1 3.65Å; Y522-L534 HydrophobicContact CE1-CG 4.35Å; Y522-L534 HydrophobicContact CE2-CB 3.94Å; Y522-F537 HydrophobicContact CG-CB 4.29Å
523	D	73.2	Confident	69.8	Low	84 Å²	84	88.1 Å²	88.1	45%	0.449	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	127.6	-172.2	-49.5	-44.8	0	0	0	109.7	T521 T525 Q529 S530	T521-D523 VanDerWaalsContact CB-OD1 3.22Å; T521-D523 WeakPolarHBondContact CB-OD1 3.5Å; T521-D523 PolarHBondContact OG1-OD1 3.04Å; T521-D523 PolarHBondContact OG1-OD2 3.21Å; D523-T525 PolarHBondContact O-N 3.41Å; D523-Q529 WeakPolarHBondContact CA-O 3.48Å; D523-S530 WeakPolarHBondContact OD1-CA 3.47Å; D523-S530 WeakPolarHBondContact OD1-CB 3.49Å; D523-S530 PolarHBondContact OD1-OG 3.1Å
524	C	75.5	Confident	69.8	Low	8 Å²	8	85.1 Å²	85.1	5%	0.054	44%	0.437	C	S	.	.			trans	-74	114.4	171.8	-178.9	0	0	0	0	109.7	Q526 C527 G528 Q529 F531 F537 H540	C524-Q526 PolarHBondContact O-N 3.22Å; C524-Q526 VanDerWaalsContact O-N 3.12Å; C524-C527 WeakPolarHBondContact CB-SG 3.4Å; C524-C527 PolarHBondContact O-N 3.17Å; C524-C527 PolarHBondContact SG-SG 2.93Å; C524-G528 VanDerWaalsContact O-CA 3.28Å; C524-G528 WeakPolarHBondContact O-CA 3.49Å; C524-G528 PolarHBondContact O-N 2.89Å; C524-Q529 PolarHBondContact N-O 3.17Å; C524-F531 HydrophobicContact CB-CE2 4.29Å; C524-F537 HydrophobicContact CB-CE2 4.32Å; C524-H540 WeakPolarHBondContact CB-NE2 3.43Å; C524-H540 PolarHBondContact SG-NE2 2.79Å
525	T	68.7	Low	70	Confident	91 Å²	91	89.5 Å²	89.5	56%	0.558	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.4	178.7	54.1	0	0	0	0	113.8	D523	D523-T525 PolarHBondContact O-N 3.41Å
526	Q	67.9	Low	69.9	Low	134 Å²	134	88 Å²	88	63%	0.626	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-26.9	-177.5	-62.4	-65.5	-26	0	0	113.6	C524 K546	C524-Q526 PolarHBondContact O-N 3.22Å; C524-Q526 VanDerWaalsContact O-N 3.12Å; Q526-K546 HydrophobicContact CB-CD 4.33Å; Q526-K546 HydrophobicContact CG-CD 4.4Å
527	C	77.6	Confident	69.7	Low	54 Å²	54	85.2 Å²	85.2	37%	0.365	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.6	-4.6	-178.4	74.9	0	0	0	0	114.1	C524 Q529 H540	C524-C527 WeakPolarHBondContact CB-SG 3.4Å; C524-C527 PolarHBondContact O-N 3.17Å; C524-C527 PolarHBondContact SG-SG 2.93Å; C527-Q529 PolarHBondContact O-N 2.86Å; C527-Q529 PolarHBondContact SG-N 2.72Å; C527-H540 PolarHBondContact SG-CE1 2.7Å; C527-H540 PolarHBondContact SG-NE2 3.34Å
528	G	75.8	Confident	69.9	Low	59 Å²	59	85.4 Å²	85.4	61%	0.608	44%	0.439	S	S	*	.			trans	72.6	3.5	-179.3	0	0	0	0	0	115.1	C524 S530	C524-G528 VanDerWaalsContact O-CA 3.28Å; C524-G528 WeakPolarHBondContact O-CA 3.49Å; C524-G528 PolarHBondContact O-N 2.89Å; G528-S530 PolarHBondContact O-N 2.79Å
529	Q	73.5	Confident	70.2	Confident	108 Å²	108	85.5 Å²	85.5	51%	0.505	44%	0.436	S	S	.	.			trans	-73.6	128.4	179.2	-70.5	-164.2	3.8	0	0	112	D523 C524 C527 F531	D523-Q529 WeakPolarHBondContact CA-O 3.48Å; C524-Q529 PolarHBondContact N-O 3.17Å; C527-Q529 PolarHBondContact O-N 2.86Å; C527-Q529 PolarHBondContact SG-N 2.72Å; Q529-F531 HydrophobicContact CB-CE2 3.68Å; Q529-F531 HydrophobicContact CB-CZ 3.74Å; Q529-F531 WeakPolarHBondContact O-CD2 3.37Å; Q529-F531 WeakPolarHBondContact O-CE2 3.13Å
530	S	73.5	Confident	71.2	Confident	70 Å²	70	82.9 Å²	82.9	49%	0.49	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	122.3	177.6	-65.2	0	0	0	0	111.4	D523 G528	D523-S530 WeakPolarHBondContact OD1-CA 3.47Å; D523-S530 WeakPolarHBondContact OD1-CB 3.49Å; D523-S530 PolarHBondContact OD1-OG 3.1Å; G528-S530 PolarHBondContact O-N 2.79Å
531	F	71.7	Confident	71.8	Confident	32 Å²	32	73.9 Å²	73.9	14%	0.14	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.4	179.6	-60.2	-86.7	0	0	0	111.3	T521 Y522 C524 Q529 R533 F537 H540	T521-F531 CarbonylContact C-O 3.46Å; T521-F531 WeakPolarHBondContact CA-O 3.34Å; Y522-F531 WeakPolarHBondContact CD2-O 3.48Å; Y522-F531 PolarHBondContact N-O 3.44Å; Y522-F531 WeakPolarHBondContact O-CD2 3.15Å; Y522-F531 PolarHBondContact O-N 2.9Å; C524-F531 HydrophobicContact CB-CE2 4.29Å; Q529-F531 HydrophobicContact CB-CE2 3.68Å; Q529-F531 HydrophobicContact CB-CZ 3.74Å; Q529-F531 WeakPolarHBondContact O-CD2 3.37Å; Q529-F531 WeakPolarHBondContact O-CE2 3.13Å; F531-R533 VanDerWaalsContact C-N 3.26Å; F531-R533 PolarHBondContact O-N 3.47Å; F531-F537 HydrophobicContact CB-CB 4.01Å; F531-F537 HydrophobicContact CD2-CB 4.05Å; F531-F537 AromaticContact CD2-CD2 3.93Å; F531-F537 HydrophobicContact CD2-CD2 3.93Å; F531-F537 HydrophobicContact CE2-CD2 4.46Å; F531-F537 HydrophobicContact CG-CB 4.15Å; F531-H540 HydrophobicContact CE1-CB 3.81Å; F531-H540 HydrophobicContact CE2-CB 3.82Å; F531-H540 AromaticContact CE2-CD2 3.42Å; F531-H540 VanDerWaalsContact CE2-CD2 3.42Å; F531-H540 WeakPolarHBondContact CE2-CD2 3.45Å; F531-H540 AromaticContact CE2-CG 3.51Å; F531-H540 AromaticContact CE2-NE2 3.99Å; F531-H540 HydrophobicContact CZ-CB 3.37Å; F531-H540 AromaticContact CZ-CD2 3.6Å; F531-H540 AromaticContact CZ-CG 3.17Å; F531-H540 AromaticContact CZ-ND1 3.48Å; F531-H540 WeakPolarHBondContact CZ-ND1 3.41Å
532	L	67	Low	72.1	Confident	81 Å²	81	74.5 Å²	74.5	42%	0.424	39%	0.392	S	S	.	.	S	Bend	trans	-81.4	-3.3	177.8	-69.5	155.8	0	0	0	113.6	T521	T521-L532 HydrophobicContact CG2-CD2 4.45Å
533	R	65.9	Low	71.8	Confident	142 Å²	142	76.9 Å²	76.9	54%	0.536	41%	0.407	S	S	.	.	S	Bend	trans	-136.8	135.1	-178.2	-70.6	-180	-174.2	170.4	3.4	110.3	Y510 F531 N535 S536 F537	Y510-R533 WeakPolarHBondContact OH-CD 3.4Å; Y510-R533 WeakPolarHBondContact OH-CG 3.32Å; Y510-R533 PolarHBondContact OH-NE 3.31Å; F531-R533 VanDerWaalsContact C-N 3.26Å; F531-R533 PolarHBondContact O-N 3.47Å; R533-N535 VanDerWaalsContact C-N 3.25Å; R533-N535 PolarHBondContact O-N 3.26Å; R533-S536 PolarHBondContact O-N 3.27Å; R533-S536 VanDerWaalsContact O-N 3.09Å; R533-F537 PolarHBondContact O-N 2.96Å
534	L	72.9	Confident	71.2	Confident	61 Å²	61	75.9 Å²	75.9	32%	0.319	40%	0.4	S	S	.	.	H	α-helix	trans	-58.5	-37.9	174.1	-177	62.9	0	0	0	111.9	Y522 S536 F537 K538	Y522-L534 HydrophobicContact CD1-CD1 3.84Å; Y522-L534 HydrophobicContact CD2-CB 4.48Å; Y522-L534 HydrophobicContact CE1-CB 4.03Å; Y522-L534 HydrophobicContact CE1-CD1 3.65Å; Y522-L534 HydrophobicContact CE1-CG 4.35Å; Y522-L534 HydrophobicContact CE2-CB 3.94Å; L534-S536 VanDerWaalsContact C-N 3.34Å; L534-S536 PolarHBondContact O-N 3.22Å; L534-F537 HydrophobicContact CD1-CD1 4.13Å; L534-F537 WeakPolarHBondContact O-CB 3.35Å; L534-F537 PolarHBondContact O-N 3.4Å; L534-K538 HydrophobicContact CD1-CG 4.42Å; L534-K538 HydrophobicContact CG-CD 4.23Å; L534-K538 HydrophobicContact CG-CG 4.34Å; L534-K538 WeakPolarHBondContact O-CB 3.28Å; L534-K538 WeakPolarHBondContact O-CG 3.39Å; L534-K538 PolarHBondContact O-N 2.82Å
535	N	71	Confident	70.2	Confident	121 Å²	121	82.9 Å²	82.9	65%	0.647	44%	0.437	S	S	*	.	H	α-helix	trans	-68.1	-34.3	178.1	-75.7	6.6	0	0	0	112.5	R533 Y539	R533-N535 VanDerWaalsContact C-N 3.25Å; R533-N535 PolarHBondContact O-N 3.26Å; N535-Y539 VanDerWaalsContact O-CB 3.24Å; N535-Y539 WeakPolarHBondContact O-CB 3.14Å; N535-Y539 PolarHBondContact O-N 3.34Å
536	S	71.2	Confident	69.4	Low	52 Å²	52	83.2 Å²	83.2	36%	0.364	43%	0.431	S	S	.	.	H	α-helix	trans	-69.3	-39.6	174.4	-60.8	0	0	0	0	111	R533 L534 Y539 H540	R533-S536 PolarHBondContact O-N 3.27Å; R533-S536 VanDerWaalsContact O-N 3.09Å; L534-S536 VanDerWaalsContact C-N 3.34Å; L534-S536 PolarHBondContact O-N 3.22Å; S536-Y539 PolarHBondContact O-N 3.04Å; S536-H540 WeakPolarHBondContact O-CB 3.45Å; S536-H540 PolarHBondContact O-N 3.43Å
537	F	75.6	Confident	68.5	Low	11 Å²	11	82.7 Å²	82.7	5%	0.048	44%	0.442	C	S	.	.	H	α-helix	trans	-62.7	-47.9	170.4	172.9	-100.3	0	0	0	112.4	Y522 C524 F531 R533 L534 Y539 H540 C541 T548 V550	Y522-F537 HydrophobicContact CG-CB 4.29Å; C524-F537 HydrophobicContact CB-CE2 4.32Å; F531-F537 HydrophobicContact CB-CB 4.01Å; F531-F537 HydrophobicContact CD2-CB 4.05Å; F531-F537 AromaticContact CD2-CD2 3.93Å; F531-F537 HydrophobicContact CD2-CD2 3.93Å; F531-F537 HydrophobicContact CE2-CD2 4.46Å; F531-F537 HydrophobicContact CG-CB 4.15Å; R533-F537 PolarHBondContact O-N 2.96Å; L534-F537 HydrophobicContact CD1-CD1 4.13Å; L534-F537 WeakPolarHBondContact O-CB 3.35Å; L534-F537 PolarHBondContact O-N 3.4Å; F537-Y539 VanDerWaalsContact C-N 3.32Å; F537-Y539 PolarHBondContact O-N 2.89Å; F537-H540 WeakPolarHBondContact O-CB 3.46Å; F537-H540 PolarHBondContact O-N 3.34Å; F537-C541 VanDerWaalsContact CZ-SG 3.55Å; F537-C541 PolarHBondContact O-N 2.71Å; F537-C541 PolarHBondContact O-SG 3.04Å; F537-T548 HydrophobicContact CE1-CG2 4.19Å; F537-V550 HydrophobicContact CE1-CG2 4.21Å
538	K	75.4	Confident	67	Low	115 Å²	115	84.5 Å²	84.5	50%	0.5	45%	0.451	S	S	.	.	H	α-helix	trans	-59.9	-41.7	176.4	-77.1	179.9	176.8	-176.4	0	111.7	L534 C541 C542	L534-K538 HydrophobicContact CD1-CG 4.42Å; L534-K538 HydrophobicContact CG-CD 4.23Å; L534-K538 HydrophobicContact CG-CG 4.34Å; L534-K538 WeakPolarHBondContact O-CB 3.28Å; L534-K538 WeakPolarHBondContact O-CG 3.39Å; L534-K538 PolarHBondContact O-N 2.82Å; K538-C541 PolarHBondContact O-N 3.2Å; K538-C542 WeakPolarHBondContact O-CB 3.35Å; K538-C542 PolarHBondContact O-N 3.44Å
539	Y	69	Low	65.5	Low	159 Å²	159	85.3 Å²	85.3	62%	0.624	45%	0.448	S	S	*	.	H	α-helix	trans	-65.6	-43.1	176.5	-170.5	-97.2	0	0	0	111.3	N535 S536 F537 C542 M543	N535-Y539 VanDerWaalsContact O-CB 3.24Å; N535-Y539 WeakPolarHBondContact O-CB 3.14Å; N535-Y539 PolarHBondContact O-N 3.34Å; S536-Y539 PolarHBondContact O-N 3.04Å; F537-Y539 VanDerWaalsContact C-N 3.32Å; F537-Y539 PolarHBondContact O-N 2.89Å; Y539-C542 PolarHBondContact O-N 3.33Å; Y539-M543 HydrophobicContact CD1-CG 3.9Å; Y539-M543 HydrophobicContact CE1-CG 3.6Å; Y539-M543 HydrophobicContact CE1-SD 3.79Å; Y539-M543 HydrophobicContact CE2-CG 4.44Å; Y539-M543 HydrophobicContact CG-CG 4.45Å; Y539-M543 WeakPolarHBondContact O-CB 3.41Å; Y539-M543 WeakPolarHBondContact O-CG 3.48Å; Y539-M543 PolarHBondContact O-N 2.96Å
540	H	74	Confident	64	Low	21 Å²	21	84 Å²	84	10%	0.097	45%	0.447	C	S	.	.	H	α-helix	trans	-59	-48.9	172.7	169.9	76.9	0	0	0	112.2	C524 C527 F531 S536 F537 C542 M543 E544	C524-H540 WeakPolarHBondContact CB-NE2 3.43Å; C524-H540 PolarHBondContact SG-NE2 2.79Å; C527-H540 PolarHBondContact SG-CE1 2.7Å; C527-H540 PolarHBondContact SG-NE2 3.34Å; F531-H540 HydrophobicContact CE1-CB 3.81Å; F531-H540 HydrophobicContact CE2-CB 3.82Å; F531-H540 AromaticContact CE2-CD2 3.42Å; F531-H540 VanDerWaalsContact CE2-CD2 3.42Å; F531-H540 WeakPolarHBondContact CE2-CD2 3.45Å; F531-H540 AromaticContact CE2-CG 3.51Å; F531-H540 AromaticContact CE2-NE2 3.99Å; F531-H540 HydrophobicContact CZ-CB 3.37Å; F531-H540 AromaticContact CZ-CD2 3.6Å; F531-H540 AromaticContact CZ-CG 3.17Å; F531-H540 AromaticContact CZ-ND1 3.48Å; F531-H540 WeakPolarHBondContact CZ-ND1 3.41Å; S536-H540 WeakPolarHBondContact O-CB 3.45Å; S536-H540 PolarHBondContact O-N 3.43Å; F537-H540 WeakPolarHBondContact O-CB 3.46Å; F537-H540 PolarHBondContact O-N 3.34Å; H540-C542 VanDerWaalsContact C-N 3.33Å; H540-C542 PolarHBondContact O-N 2.86Å; H540-M543 PolarHBondContact O-N 2.87Å; H540-E544 VanDerWaalsContact CE1-CD 3.46Å; H540-E544 IonicContact CE1-OE1 2.92Å; H540-E544 PolarHBondContact CE1-OE1 3.45Å; H540-E544 IonicContact ND1-OE1 3.68Å; H540-E544 IonicContact NE2-OE1 2.74Å; H540-E544 PolarHBondContact O-N 3.31Å
541	C	72.3	Confident	62.5	Low	13 Å²	13	89.2 Å²	89.2	9%	0.088	46%	0.461	C	S	.	.	H	α-helix	trans	-65.4	-34.3	177.4	-64.3	0	0	0	0	113.1	F537 K538 N545 K546 T548	F537-C541 VanDerWaalsContact CZ-SG 3.55Å; F537-C541 PolarHBondContact O-N 2.71Å; F537-C541 PolarHBondContact O-SG 3.04Å; K538-C541 PolarHBondContact O-N 3.2Å; C541-N545 PolarHBondContact O-N 2.63Å; C541-K546 PolarHBondContact O-N 3.03Å; C541-T548 HydrophobicContact CB-CG2 3.69Å
542	C	72.7	Confident	60.9	Low	75 Å²	75	92.1 Å²	92.1	51%	0.507	48%	0.481	S	S	.	.	H	α-helix	trans	-71.4	-40.4	177.1	-167.4	0	0	0	0	111.7	K538 Y539 H540 E544 N545	K538-C542 WeakPolarHBondContact O-CB 3.35Å; K538-C542 PolarHBondContact O-N 3.44Å; Y539-C542 PolarHBondContact O-N 3.33Å; H540-C542 VanDerWaalsContact C-N 3.33Å; H540-C542 PolarHBondContact O-N 2.86Å; C542-E544 VanDerWaalsContact C-N 3.34Å; C542-N545 PolarHBondContact O-N 3.1Å
543	M	62.6	Low	59.3	Low	123 Å²	123	96.1 Å²	96.1	61%	0.606	50%	0.503	S	S	*	.	H	α-helix	trans	-68.8	-32.9	175.7	-70.7	-101.7	74	0	0	112.3	Y539 H540 N545	Y539-M543 HydrophobicContact CD1-CG 3.9Å; Y539-M543 HydrophobicContact CE1-CG 3.6Å; Y539-M543 HydrophobicContact CE1-SD 3.79Å; Y539-M543 HydrophobicContact CE2-CG 4.44Å; Y539-M543 HydrophobicContact CG-CG 4.45Å; Y539-M543 WeakPolarHBondContact O-CB 3.41Å; Y539-M543 WeakPolarHBondContact O-CG 3.48Å; Y539-M543 PolarHBondContact O-N 2.96Å; H540-M543 PolarHBondContact O-N 2.87Å; M543-N545 VanDerWaalsContact C-N 3.34Å
544	E	62	Low	57.7	Low	63 Å²	63	96.3 Å²	96.3	29%	0.294	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	3.1	178.3	-69.5	-156.9	-175.9	0	0	114.6	H540 C542 K546	H540-E544 VanDerWaalsContact CE1-CD 3.46Å; H540-E544 IonicContact CE1-OE1 2.92Å; H540-E544 PolarHBondContact CE1-OE1 3.45Å; H540-E544 IonicContact ND1-OE1 3.68Å; H540-E544 IonicContact NE2-OE1 2.74Å; H540-E544 PolarHBondContact O-N 3.31Å; C542-E544 VanDerWaalsContact C-N 3.34Å; E544-K546 VanDerWaalsContact C-N 3.29Å; E544-K546 HydrophobicContact CB-CD 4.06Å; E544-K546 WeakPolarHBondContact O-CE 3.16Å; E544-K546 VanDerWaalsContact O-CG 3.28Å; E544-K546 WeakPolarHBondContact O-CG 3Å; E544-K546 PolarHBondContact O-N 3.24Å; E544-K546 IonicContact OE2-NZ 3.03Å; E544-K546 PolarHBondContact OE2-NZ 3.25Å
545	N	54	Low	55.9	Low	155 Å²	155	101.1 Å²	101.1	83%	0.829	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	41.4	-178.6	-77.3	-36.8	0	0	0	113.7	C541 C542 M543	C541-N545 PolarHBondContact O-N 2.63Å; C542-N545 PolarHBondContact O-N 3.1Å; M543-N545 VanDerWaalsContact C-N 3.34Å
546	K	52.2	Low	54	Low	99 Å²	99	100.1 Å²	100.1	43%	0.43	54%	0.543	S	S	.	.			trans	-128	131.7	-173.4	-73.5	163.9	-159.3	171.6	0	112.3	Q526 C541 E544	Q526-K546 HydrophobicContact CB-CD 4.33Å; Q526-K546 HydrophobicContact CG-CD 4.4Å; C541-K546 PolarHBondContact O-N 3.03Å; E544-K546 VanDerWaalsContact C-N 3.29Å; E544-K546 HydrophobicContact CB-CD 4.06Å; E544-K546 WeakPolarHBondContact O-CE 3.16Å; E544-K546 VanDerWaalsContact O-CG 3.28Å; E544-K546 WeakPolarHBondContact O-CG 3Å; E544-K546 PolarHBondContact O-N 3.24Å; E544-K546 IonicContact OE2-NZ 3.03Å; E544-K546 PolarHBondContact OE2-NZ 3.25Å
547	S	49.2	Very low	52.2	Low	123 Å²	123	104.7 Å²	104.7	86%	0.86	57%	0.569	S	S	*	*			trans	-57.2	130.2	-178.6	-41.2	0	0	0	0	112.4
548	T	44.8	Very low	50.1	Low	91 Å²	91	108.8 Å²	108.8	56%	0.558	60%	0.599	S	S	*	*			trans	-82	123.2	-179.2	52.6	0	0	0	0	112	F537 C541	F537-T548 HydrophobicContact CE1-CG2 4.19Å; C541-T548 HydrophobicContact CB-CG2 3.69Å
549	S	44.9	Very low	48	Very low	76 Å²	76	108.2 Å²	108.2	53%	0.531	61%	0.609	S	S	.	*			trans	-117.2	120	159.2	163.3	0	0	0	0	107.3
550	V	41.5	Very low	46.3	Very low	80 Å²	80	107.5 Å²	107.5	49%	0.485	62%	0.621	S	S	.	*			trans	-100.8	118.8	179	177	0	0	0	0	107.8	F537 T552	F537-V550 HydrophobicContact CE1-CG2 4.21Å; V550-T552 HydrophobicContact CG1-CG2 3.93Å
551	K	41.8	Very low	44.2	Very low	180 Å²	180	111.6 Å²	111.6	78%	0.783	65%	0.652	S	S	*	*			trans	-92	116.3	161.9	-66.5	-177.1	179.6	-179.3	0	107.3
552	T	38.5	Very low	42.3	Very low	94 Å²	94	117.6 Å²	117.6	58%	0.577	68%	0.683	S	S	*	*			trans	-111.5	120	162.5	43	0	0	0	0	107.4	V550 D554	V550-T552 HydrophobicContact CG1-CG2 3.93Å; T552-D554 PolarHBondContact O-N 3.3Å; T552-D554 VanDerWaalsContact O-N 3.16Å
553	D	34.8	Very low	40.4	Very low	165 Å²	165	122.1 Å²	122.1	88%	0.882	70%	0.697	S	S	*	*			trans	-70.9	105.5	170.2	-63.3	-34.6	0	0	0	108.3	N555	D553-N555 PolarHBondContact O-N 3.19Å
554	D	31.6	Very low	38.8	Very low	146 Å²	146	124.3 Å²	124.3	78%	0.781	71%	0.71	S	S	*	*			trans	-76.9	111.6	171.2	-78.7	-37.8	0	0	0	108.9	T552	T552-D554 PolarHBondContact O-N 3.3Å; T552-D554 VanDerWaalsContact O-N 3.16Å
555	N	35.8	Very low	37.2	Very low	161 Å²	161	125.8 Å²	125.8	86%	0.861	73%	0.728	S	S	*	*			trans	-128.5	120.2	157.3	-102.9	-24.5	0	0	0	110.4	D553	D553-N555 PolarHBondContact O-N 3.19Å
556	S	30.7	Very low	36.1	Very low	100 Å²	100	124.3 Å²	124.3	70%	0.699	73%	0.725	S	S	*	*			trans	-48.8	133.8	178.1	53.1	0	0	0	0	114.6
557	V	33.4	Very low	35.1	Very low	149 Å²	149	127.3 Å²	127.3	90%	0.903	75%	0.745	S	S	*	*				-150.2	131.3	127.6	-177.1	0	0	0	0	109.4
558	S	30.6	Very low	34.1	Very low	97 Å²	97	129.5 Å²	129.5	68%	0.678	75%	0.747	S	S	*	*			trans	-74.7	166.6	-168.3	-45.6	0	0	0	0	116.3
559	S	32.3	Very low	33.5	Very low	102 Å²	102	130 Å²	130	71%	0.713	75%	0.753	S	S	*	*			trans	81.8	99.3	145.7	6.2	0	0	0	0	119.1
560	T	33	Very low	32.8	Very low	144 Å²	144	132.4 Å²	132.4	88%	0.883	77%	0.768	S	S	*	*				174.4	130.5	94.3	31.9	0	0	0	0	111.2
561	S	30.3	Very low	32.2	Very low	107 Å²	107	134.2 Å²	134.2	75%	0.748	78%	0.778	S	S	*	*			trans	-66	144.6	-174.3	-55	0	0	0	0	114.3
562	N	32.3	Very low	31.6	Very low	139 Å²	139	131.9 Å²	131.9	74%	0.743	78%	0.78	S	S	*	*				-169.9	114.8	115.8	-95	-27.1	0	0	0	112.5
563	Q	31.8	Very low	31.2	Very low	171 Å²	171	133.1 Å²	133.1	80%	0.799	79%	0.787	S	S	*	*			trans	55.7	98.7	139.7	-52	-172.5	39.2	0	0	118.6
564	L	29.5	Very low	31.1	Very low	168 Å²	168	132.5 Å²	132.5	88%	0.88	78%	0.784	S	S	*	*				-175.2	111.7	103	-158.6	62.3	0	0	0	110
565	S	28.7	Very low	30.8	Very low	95 Å²	95	130.8 Å²	130.8	66%	0.664	78%	0.782	S	S	*	*			trans	-56.9	142	163.7	49.3	0	0	0	0	110.7
566	T	31.3	Very low	30.6	Very low	123 Å²	123	128.6 Å²	128.6	76%	0.755	77%	0.774	S	S	*	*				-172.4	158.9	61	38.9	0	0	0	0	110.1
567	L	30.8	Very low	30.4	Very low	163 Å²	163	129.4 Å²	129.4	85%	0.853	78%	0.78	S	S	*	*			trans	89.7	70.6	164	-55.2	170	0	0	0	118
568	D	27	Very low	30.3	Very low	169 Å²	169	128 Å²	128	90%	0.904	77%	0.772	S	S	*	*			trans	-91.6	122.8	141.5	-87.3	-43.7	0	0	0	109.1
569	S	32.1	Very low	30	Very low	100 Å²	100	131.8 Å²	131.8	70%	0.699	78%	0.779	S	S	*	*			trans	-148.5	139.2	155.2	-75.8	0	0	0	0	108.8	V571	S569-V571 PolarHBondContact O-N 3.25Å
570	P	30.1	Very low	30.1	Very low	128 Å²	128	135.8 Å²	135.8	83%	0.831	79%	0.786	S	S	*	*			trans	-80.4	110.7	-164.2	31.6	-31.8	0	0	0	110.2	T572	P570-T572 PolarHBondContact O-N 3.19Å
571	V	30	Very low	29.8	Very low	117 Å²	117	134.8 Å²	134.8	71%	0.709	79%	0.785	S	S	*	*			trans	-91.1	101.9	173.6	179.6	0	0	0	0	109.5	S569 T573	S569-V571 PolarHBondContact O-N 3.25Å; V571-T573 HydrophobicContact CG1-CG2 3.79Å
572	T	29.1	Very low	30	Very low	132 Å²	132	135.2 Å²	135.2	81%	0.81	79%	0.788	S	S	*	*			trans	-61.9	123.4	154.6	42.8	0	0	0	0	108.3	P570	P570-T572 PolarHBondContact O-N 3.19Å
573	T	30.5	Very low	29.7	Very low	120 Å²	120	134.7 Å²	134.7	74%	0.736	79%	0.79	S	S	*	*			trans	-126.6	102.8	173.1	19.7	0	0	0	0	109.2	V571	V571-T573 HydrophobicContact CG1-CG2 3.79Å
574	N	31.6	Very low	29.6	Very low	152 Å²	152	134.3 Å²	134.3	81%	0.813	79%	0.793	S	S	*	*			trans	-73.5	128.2	167.9	-73	-19.9	0	0	0	108.9
575	C	25.9	Very low	29.7	Very low	110 Å²	110	131.7 Å²	131.7	74%	0.743	79%	0.786	S	S	*	*			trans	-80.4	115	165	-73.7	0	0	0	0	108.3
576	V	31.7	Very low	29.6	Very low	114 Å²	114	133.6 Å²	133.6	69%	0.691	79%	0.793	S	S	*	*			trans	-103.6	112.7	168.2	180	0	0	0	0	107.9	T578	V576-T578 WeakPolarHBondContact CG1-OG1 3.33Å
577	S	26.1	Very low	29.7	Very low	118 Å²	118	133.7 Å²	133.7	83%	0.825	80%	0.796	S	S	*	*			trans	-83.1	120.8	159.9	-53.2	0	0	0	0	107.6
578	T	30.9	Very low	29.5	Very low	118 Å²	118	131.3 Å²	131.3	72%	0.724	79%	0.793	S	S	*	*			trans	-129.3	100.7	168.4	-5	0	0	0	0	109.4	V576	V576-T578 WeakPolarHBondContact CG1-OG1 3.33Å
579	E	25.6	Very low	29.9	Very low	178 Å²	178	131.8 Å²	131.8	83%	0.832	80%	0.795	S	S	*	*			trans	-67.8	131.5	148.3	-57.8	-171.4	153.5	0	0	107.5
580	Q	33.9	Very low	29.7	Very low	185 Å²	185	135.5 Å²	135.5	86%	0.864	80%	0.801	S	S	*	*			trans	-178.2	124	142.1	-100.4	162.9	39.1	0	0	111.9
581	S	26.8	Very low	29.9	Very low	124 Å²	124	135.4 Å²	135.4	87%	0.867	80%	0.803	S	S	*	*			trans	-50.2	135.9	164.3	-52.7	0	0	0	0	112.5
582	S	33.4	Very low	29.8	Very low	116 Å²	116	135.1 Å²	135.1	81%	0.811	81%	0.807	S	S	*	*			trans	-164.2	122.4	149	31.1	0	0	0	0	111.5
583	T	26.5	Very low	30.1	Very low	128 Å²	128	138.1 Å²	138.1	79%	0.785	81%	0.811	S	S	*	*			trans	-56.8	148.9	164.8	40.4	0	0	0	0	113.2
584	L	29.3	Very low	29.9	Very low	163 Å²	163	138.9 Å²	138.9	85%	0.853	82%	0.816	S	S	*	*			trans	156.1	166.3	144.4	-84.3	153.1	0	0	0	110.1
585	P	31.7	Very low	30.1	Very low	112 Å²	112	138.5 Å²	138.5	73%	0.727	82%	0.819	S	S	*	*				-125.2	165.4	-72.4	29.8	-9	0	0	0	113.1
586	T	26.5	Very low	30.4	Very low	135 Å²	135	140.8 Å²	140.8	83%	0.828	82%	0.824	S	S	*	*			trans	-81.8	145.1	175	45	0	0	0	0	113.3
587	P	34.1	Very low	30.1	Very low	126 Å²	126	141.8 Å²	141.8	82%	0.818	83%	0.83	S	S	*	*			trans	-105.8	134.2	156.6	33.7	-23.3	0	0	0	112.2
588	S	27.4	Very low	30.5	Very low	112 Å²	112	142 Å²	142	78%	0.783	83%	0.827	S	S	*	*			trans	-75.4	139.4	174.8	-30.1	0	0	0	0	111.3
589	L	34.9	Very low	30.5	Very low	179 Å²	179	142.3 Å²	142.3	94%	0.937	83%	0.829	S	S	*	*			trans	-153.7	120.1	152.5	-112.1	134.2	0	0	0	110.3
590	E	28.5	Very low	30.7	Very low	179 Å²	179	142.6 Å²	142.6	84%	0.836	84%	0.835	S	S	*	*			trans	-68.7	138.9	176.7	-67.3	168.6	133.5	0	0	111.2
591	S	32.8	Very low	30.5	Very low	125 Å²	125	137.8 Å²	137.8	87%	0.874	82%	0.822	S	S	*	*				-169.1	126.5	129.8	29.3	0	0	0	0	110.3
592	S	28.8	Very low	30.7	Very low	112 Å²	112	139.3 Å²	139.3	78%	0.783	82%	0.821	S	S	*	*			trans	-70.1	135.4	-170.3	-25.4	0	0	0	0	112.2
593	Q	35.2	Very low	30.5	Very low	194 Å²	194	141 Å²	141	91%	0.907	82%	0.82	S	S	*	*			trans	-149.4	130.3	132.7	-70.9	-159.3	-9.7	0	0	110.1
594	T	26.7	Very low	30.6	Very low	136 Å²	136	145.2 Å²	145.2	83%	0.834	83%	0.827	S	S	*	*			trans	-68	131.2	-172	47.6	0	0	0	0	113.3
595	V	34.8	Very low	30.7	Very low	145 Å²	145	143.9 Å²	143.9	88%	0.879	82%	0.82	S	S	*	*			trans	-143.9	130	153.8	-163.8	0	0	0	0	109.5
596	D	32.2	Very low	30.7	Very low	157 Å²	157	143.8 Å²	143.8	84%	0.84	82%	0.822	S	S	*	*			trans	-57.4	141.9	-169.6	-69	-54.7	0	0	0	115.8
597	T	26.4	Very low	30.8	Very low	135 Å²	135	144.4 Å²	144.4	83%	0.828	82%	0.82	S	S	*	*			trans	-92	125.5	170.9	35.6	0	0	0	0	109.3
598	T	33.4	Very low	30.7	Very low	123 Å²	123	143.3 Å²	143.3	76%	0.755	81%	0.812	S	S	*	*			trans	-157.1	116.2	153.4	3.1	0	0	0	0	111.1
599	T	32.4	Very low	30.7	Very low	124 Å²	124	144.2 Å²	144.2	76%	0.761	81%	0.808	S	S	*	*			trans	67	87	148.5	56	0	0	0	0	119
600	L	29.4	Very low	30.4	Very low	185 Å²	185	144.9 Å²	144.9	97%	0.969	80%	0.804	S	S	*	*			trans	-112.1	77.2	151.2	-113.6	155.8	0	0	0	108.2
601	S	29.1	Very low	30.4	Very low	84 Å²	84	144.1 Å²	144.1	59%	0.587	80%	0.798	S	S	*	*			trans	-126.5	138.5	162.6	47.8	0	0	0	0	107.7
602	N	30.2	Very low	30.3	Very low	156 Å²	156	148 Å²	148	83%	0.834	80%	0.8	S	S	*	*			trans	95.8	74.1	176.9	-48.7	-43.1	0	0	0	117.3
603	L	30.4	Very low	30.3	Very low	151 Å²	151	149.3 Å²	149.3	79%	0.791	80%	0.798	S	S	*	*			trans	-135.1	74.4	143.9	-94.1	162.3	0	0	0	109	L605	L603-L605 HydrophobicContact CD2-CD1 4.02Å; L603-L605 HydrophobicContact CD2-CG 4.02Å; L603-L605 PolarHBondContact O-N 3.07Å
604	K	29.3	Very low	30	Very low	216 Å²	216	145.6 Å²	145.6	94%	0.939	79%	0.794	S	S	*	*			trans	-77.2	94.6	152.8	-87.1	-178.4	176.4	177.3	0	106.7
605	L	30.8	Very low	30.3	Very low	136 Å²	136	145.2 Å²	145.2	71%	0.712	79%	0.793	S	S	*	*			trans	-87.2	104.6	163.2	-86.3	162.5	0	0	0	107.7	L603 L607	L603-L605 HydrophobicContact CD2-CD1 4.02Å; L603-L605 HydrophobicContact CD2-CG 4.02Å; L603-L605 PolarHBondContact O-N 3.07Å; L605-L607 PolarHBondContact O-N 2.87Å
606	S	31.2	Very low	30.3	Very low	110 Å²	110	145.1 Å²	145.1	77%	0.769	79%	0.793	S	S	*	*			trans	-67.1	113.5	157.1	35.9	0	0	0	0	108.5
607	L	28.8	Very low	30	Very low	148 Å²	148	145 Å²	145	78%	0.775	79%	0.793	S	S	*	*			trans	-82.2	129.8	160.9	-78.8	93.6	0	0	0	108.2	L605	L605-L607 PolarHBondContact O-N 2.87Å
608	P	31.2	Very low	30.2	Very low	103 Å²	103	144.8 Å²	144.8	67%	0.669	79%	0.791	S	S	*	*			trans	-87.7	115.9	153.7	-1.1	20.4	0	0	0	108.3	F610	P608-F610 PolarHBondContact O-N 3.01Å
609	N	27.8	Very low	30.1	Very low	130 Å²	130	144.4 Å²	144.4	70%	0.695	79%	0.789	S	S	*	*			trans	-55.5	121.2	163.9	-70	-36	0	0	0	109.2	F611	N609-F611 HydrophobicContact CB-CD2 4.18Å; N609-F611 HydrophobicContact CB-CE2 4.39Å
610	F	28.4	Very low	30	Very low	193 Å²	193	144.3 Å²	144.3	85%	0.846	79%	0.788	S	S	*	*			trans	-104.2	94	159.7	-89.7	-83.5	0	0	0	107.8	P608	P608-F610 PolarHBondContact O-N 3.01Å
611	F	29.8	Very low	30.1	Very low	163 Å²	163	141.1 Å²	141.1	72%	0.715	78%	0.777	S	S	*	*			trans	-65.3	127.6	161.6	-89.3	-93.3	0	0	0	108.7	N609 N613	N609-F611 HydrophobicContact CB-CD2 4.18Å; N609-F611 HydrophobicContact CB-CE2 4.39Å; F611-N613 PolarHBondContact O-N 3.04Å
612	F	29.3	Very low	30.2	Very low	207 Å²	207	141.7 Å²	141.7	91%	0.908	78%	0.781	S	S	*	*			trans	-71.6	105.7	158.9	-97.5	-94.5	0	0	0	107.2
613	N	30.2	Very low	30.5	Very low	140 Å²	140	141.3 Å²	141.3	75%	0.749	78%	0.778	S	S	*	*			trans	-113.4	118	162.9	-87.4	-11.6	0	0	0	108.4	F611	F611-N613 PolarHBondContact O-N 3.04Å
614	S	28.9	Very low	30.6	Very low	116 Å²	116	141 Å²	141	81%	0.811	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-69.2	136.3	163.7	-65.4	0	0	0	0	109.3
615	P	33.3	Very low	30.9	Very low	127 Å²	127	135.9 Å²	135.9	83%	0.825	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-91.5	132.6	-179.9	33.1	-28.9	0	0	0	111.6
616	T	33.3	Very low	31	Very low	143 Å²	143	134.6 Å²	134.6	88%	0.877	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-95.1	128.3	162.4	41.2	0	0	0	0	109.3
617	N	27.4	Very low	31.2	Very low	155 Å²	155	135.2 Å²	135.2	83%	0.829	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-68.2	146	177.4	-88.6	-26.2	0	0	0	112.2
618	T	30.5	Very low	31.2	Very low	131 Å²	131	134.4 Å²	134.4	80%	0.804	78%	0.777	S	S	*	*			trans	-171.7	117.4	134.1	15.4	0	0	0	0	113.2
619	T	30.5	Very low	31.3	Very low	115 Å²	115	135.6 Å²	135.6	71%	0.706	79%	0.787	S	S	*	*			trans	69.1	120.9	138.1	33.1	0	0	0	0	124.7
620	T	30.6	Very low	31.4	Very low	121 Å²	121	137 Å²	137	74%	0.742	80%	0.795	S	S	*	*			trans	66.6	136.8	133	53.7	0	0	0	0	119
621	T	31.8	Very low	31.4	Very low	119 Å²	119	134.5 Å²	134.5	73%	0.73	80%	0.795	S	S	*	*			cis	-177.1	124.2	27.5	11.5	0	0	0	0	106.9
622	S	31.2	Very low	31.4	Very low	96 Å²	96	134.1 Å²	134.1	67%	0.671	80%	0.799	S	S	*	*				81.8	137.7	101.1	72.1	0	0	0	0	119.8
623	L	36.2	Very low	31.4	Very low	147 Å²	147	130.5 Å²	130.5	77%	0.77	79%	0.793	S	S	*	*			trans	99.3	104.4	158.6	-57.9	161.8	0	0	0	116.9
624	D	32.4	Very low	31.3	Very low	145 Å²	145	131.2 Å²	131.2	78%	0.775	80%	0.797	S	S	*	*				76.3	138	79.6	-73.9	-15.7	0	0	0	112.4
625	S	36.1	Very low	31.4	Very low	109 Å²	109	131.8 Å²	131.8	76%	0.762	80%	0.796	S	S	*	*			cis	-171.2	167.8	15	40.5	0	0	0	0	111.6
626	S	33.3	Very low	31.2	Very low	108 Å²	108	131.2 Å²	131.2	76%	0.755	80%	0.795	S	S	*	*			trans	-28.6	152.7	173.4	55.1	0	0	0	0	123.4
627	S	34.2	Very low	31.1	Very low	123 Å²	123	128.9 Å²	128.9	86%	0.86	79%	0.79	S	S	*	*				171.7	153.2	107.4	48.1	0	0	0	0	114.6
628	T	29	Very low	31.4	Very low	132 Å²	132	130.6 Å²	130.6	81%	0.81	79%	0.793	S	S	*	*			trans	-98	156.8	-161.3	46	0	0	0	0	115.1
629	S	32.5	Very low	31.5	Very low	127 Å²	127	131 Å²	131	89%	0.888	80%	0.796	S	S	*	*			trans	-167.5	137.2	141.8	-68.4	0	0	0	0	113.2
630	N	30	Very low	31.4	Very low	160 Å²	160	130.5 Å²	130.5	86%	0.856	80%	0.797	S	S	*	*			trans	-85.2	148.7	-174.3	-70.6	-50.9	0	0	0	114.6
631	V	29	Very low	31.4	Very low	141 Å²	141	132 Å²	132	86%	0.855	80%	0.8	S	S	*	*			trans	-138.5	128.5	153.7	178.6	0	0	0	0	109.3
632	I	29.2	Very low	31.3	Very low	155 Å²	155	133.4 Å²	133.4	80%	0.795	80%	0.8	S	S	*	*			trans	-92.6	128.8	-177.8	-63.8	168.1	0	0	0	109.9
633	V	30.4	Very low	31.3	Very low	131 Å²	131	136.9 Å²	136.9	79%	0.794	81%	0.811	S	S	*	*			trans	-143.5	126.3	155.2	-170.3	0	0	0	0	110.5
634	N	26.8	Very low	31	Very low	154 Å²	154	137.5 Å²	137.5	82%	0.824	81%	0.809	S	S	*	*			trans	-57.8	126.8	175.1	-93.2	-28.4	0	0	0	113.3
635	T	31.7	Very low	31.1	Very low	128 Å²	128	136.9 Å²	136.9	79%	0.785	81%	0.811	S	S	*	*			trans	-147.1	137.4	151.7	48.7	0	0	0	0	111.5
636	S	29.8	Very low	30.9	Very low	116 Å²	116	136.7 Å²	136.7	81%	0.811	81%	0.805	S	S	*	*			trans	-8.1	116.3	165.8	51.3	0	0	0	0	118.7	Q638	S636-Q638 PolarHBondContact O-N 3.39Å
637	A	30.6	Very low	30.9	Very low	94 Å²	94	139.8 Å²	139.8	78%	0.777	81%	0.812	S	S	*	*			trans	-84.6	103.5	178.6	0	0	0	0	0	113.2	T639	A637-T639 HydrophobicContact CB-CG2 4.49Å
638	Q	34.7	Very low	31	Very low	191 Å²	191	139 Å²	139	89%	0.893	80%	0.803	S	S	*	*			trans	-71.2	124.8	138.9	-72.6	177.9	-18.7	0	0	107.8	S636	S636-Q638 PolarHBondContact O-N 3.39Å
639	T	31.8	Very low	31	Very low	140 Å²	140	140.3 Å²	140.3	86%	0.859	80%	0.804	S	S	*	*			trans	-98.3	106.8	176.4	47.1	0	0	0	0	111.3	A637	A637-T639 HydrophobicContact CB-CG2 4.49Å
640	S	28.1	Very low	31.1	Very low	104 Å²	104	139.1 Å²	139.1	73%	0.727	80%	0.802	S	S	*	*			trans	-142.7	144.4	157.7	157.5	0	0	0	0	105.7
641	L	29.6	Very low	31.1	Very low	153 Å²	153	140.2 Å²	140.2	80%	0.801	81%	0.807	S	S	*	*			trans	94.5	137.4	-168.3	-56.6	164.6	0	0	0	110.9
642	M	31	Very low	31.2	Very low	147 Å²	147	138.4 Å²	138.4	72%	0.724	81%	0.807	S	S	*	*			cis	-167.2	147.2	8.4	-135.8	160.6	160.7	0	0	104.7
643	N	30.8	Very low	31.2	Very low	170 Å²	170	137.3 Å²	137.3	91%	0.909	81%	0.807	S	S	*	*			trans	-144.1	100.1	152.4	-91.6	-20.5	0	0	0	106.6
644	H	30.2	Very low	31.3	Very low	159 Å²	159	138.4 Å²	138.4	74%	0.736	81%	0.808	S	S	*	*			trans	-98.6	111.4	168.1	-161.7	-81.7	0	0	0	106
645	V	34.2	Very low	31.4	Very low	133 Å²	133	138.6 Å²	138.6	81%	0.806	81%	0.809	S	S	*	*			trans	-128.6	121.1	166.1	178.8	0	0	0	0	107
646	T	32.6	Very low	31.5	Very low	105 Å²	105	138.8 Å²	138.8	64%	0.644	81%	0.81	S	S	*	*			trans	-62.9	141.1	178.3	44.7	0	0	0	0	112.8
647	L	33.7	Very low	31.4	Very low	173 Å²	173	143.4 Å²	143.4	91%	0.906	82%	0.816	S	S	*	*			trans	-153.1	126.8	146.9	-123.9	148.4	0	0	0	111.3
648	T	34.8	Very low	31.6	Very low	107 Å²	107	143.3 Å²	143.3	66%	0.656	82%	0.815	S	S	*	*			trans	-83.9	154.6	-173.6	37.7	0	0	0	0	113.5
649	N	30.2	Very low	31.6	Very low	158 Å²	158	139 Å²	139	85%	0.845	81%	0.806	S	S	*	*			trans	67.4	114.6	148	-62.1	-9.4	0	0	0	120.4
650	A	34.3	Very low	31.6	Very low	102 Å²	102	141.7 Å²	141.7	84%	0.843	81%	0.806	S	S	*	*				176	116	108.3	0	0	0	0	0	110.7
651	L	28.8	Very low	31.9	Very low	184 Å²	184	141.4 Å²	141.4	96%	0.963	80%	0.802	S	S	*	*			trans	-102.8	126.9	158.7	-81.9	169.3	0	0	0	107.1
652	A	33	Very low	31.9	Very low	103 Å²	103	139.7 Å²	139.7	85%	0.851	80%	0.798	S	S	*	*			trans	-136.8	137.6	163.3	0	0	0	0	0	109.4
653	V	28.9	Very low	31.9	Very low	132 Å²	132	140.7 Å²	140.7	80%	0.8	81%	0.806	S	S	*	*			trans	-76.8	150.3	-167.2	-176.8	0	0	0	0	110.8
654	L	32.7	Very low	31.8	Very low	154 Å²	154	135.9 Å²	135.9	81%	0.806	80%	0.797	S	S	*	*				157.6	118.8	123.9	-80.2	164.6	0	0	0	112.6
655	N	27.5	Very low	31.9	Very low	157 Å²	157	136.6 Å²	136.6	84%	0.84	81%	0.805	S	S	*	*			trans	-74.1	126.5	159.4	-85.1	-33.2	0	0	0	108.9
656	T	33.9	Very low	31.9	Very low	133 Å²	133	138.9 Å²	138.9	82%	0.816	81%	0.806	S	S	*	*			trans	-144.8	124.1	156.2	25.8	0	0	0	0	109.5
657	F	27.8	Very low	31.6	Very low	213 Å²	213	139.1 Å²	139.1	93%	0.934	81%	0.812	S	S	*	*			trans	-64.9	139.1	171.6	-75.7	-104	0	0	0	111.3
658	A	34.3	Very low	31.6	Very low	91 Å²	91	136.3 Å²	136.3	75%	0.752	80%	0.804	S	S	*	*			trans	177.4	109.2	141.1	0	0	0	0	0	111.5
659	S	34.8	Very low	31.4	Very low	102 Å²	102	138.1 Å²	138.1	71%	0.713	81%	0.81	S	S	*	*				37.4	121.8	120.9	-51.1	0	0	0	0	122
660	F	32.9	Very low	31.5	Very low	196 Å²	196	138.3 Å²	138.3	86%	0.86	81%	0.808	S	S	*	*			trans	86.6	155.2	136.5	-79.1	-53.8	0	0	0	121
661	P	33.1	Very low	31.3	Very low	98 Å²	98	142.2 Å²	142.2	64%	0.636	81%	0.808	S	S	*	*				-127.9	179.5	-111.9	46.2	-33.3	0	0	0	116.5
662	T	29.5	Very low	31.5	Very low	117 Å²	117	138.2 Å²	138.2	72%	0.718	80%	0.796	S	S	*	*			trans	49.1	112.1	154.6	55.7	0	0	0	0	120
663	N	31.6	Very low	31.3	Very low	167 Å²	167	138 Å²	138	89%	0.893	79%	0.794	S	S	*	*				-176	144.6	116.6	-90	-23	0	0	0	110.7
664	G	28.7	Very low	31.6	Very low	70 Å²	70	137.1 Å²	137.1	72%	0.722	79%	0.793	S	S	*	*			trans	-75.6	164.3	-166.3	0	0	0	0	0	115.5
665	I	33.4	Very low	31.4	Very low	174 Å²	174	137.6 Å²	137.6	89%	0.892	80%	0.797	S	S	*	*			trans	-154.2	142.5	152.1	-84.4	128.6	0	0	0	108
666	H	32.9	Very low	31.7	Very low	180 Å²	180	138.3 Å²	138.3	83%	0.833	80%	0.799	S	S	*	*			trans	-39	150	179	-86.9	-95.2	0	0	0	119.5
667	S	26.2	Very low	31.9	Very low	111 Å²	111	140.5 Å²	140.5	78%	0.776	80%	0.797	S	S	*	*			trans	-49.5	158	158.8	-60.6	0	0	0	0	113.6
668	P	33.5	Very low	32.2	Very low	113 Å²	113	137.7 Å²	137.7	73%	0.734	79%	0.787	S	S	*	*				-147.8	158.8	104.9	33.5	-14.7	0	0	0	117.1
669	N	30.5	Very low	32.1	Very low	145 Å²	145	140.3 Å²	140.3	78%	0.775	79%	0.787	S	S	*	*			trans	-33.9	140.8	162.5	-126.9	-17.8	0	0	0	115.7
670	M	33.6	Very low	32.1	Very low	163 Å²	163	141.8 Å²	141.8	80%	0.803	79%	0.787	S	S	*	*			trans	-127.3	100.8	166.6	-79.3	-78.9	122.4	0	0	110.5
671	H	29.8	Very low	32.1	Very low	183 Å²	183	137.5 Å²	137.5	85%	0.847	78%	0.781	S	S	*	*			trans	-121.1	112.1	157.9	-107.5	-46.4	0	0	0	107.1
672	S	32.1	Very low	32.2	Very low	101 Å²	101	137.8 Å²	137.8	71%	0.706	79%	0.786	S	S	*	*			trans	173.8	121.9	159.1	25.7	0	0	0	0	106.5
673	A	28.7	Very low	32.3	Very low	99 Å²	99	138.2 Å²	138.2	82%	0.818	79%	0.788	S	S	*	*				70.8	104.1	58.8	0	0	0	0	0	113.6
674	S	35.4	Very low	32.6	Very low	112 Å²	112	138.2 Å²	138.2	78%	0.783	79%	0.788	S	S	*	*			trans	-173.3	100.5	155.7	36.3	0	0	0	0	108.5
675	N	28.7	Very low	32.7	Very low	164 Å²	164	139.4 Å²	139.4	88%	0.877	79%	0.786	S	S	*	*				67.7	105.7	90.5	-85.4	-21.8	0	0	0	114.8
676	I	34.9	Very low	33.1	Very low	173 Å²	173	139.5 Å²	139.5	89%	0.887	79%	0.788	S	S	*	*			trans	-135.8	121.3	150.1	-62.7	-175.5	0	0	0	109.3
677	K	37.8	Very low	32.9	Very low	179 Å²	179	137.1 Å²	137.1	78%	0.778	79%	0.787	S	S	*	*			trans	-45.8	163.9	167.4	-71.5	174.3	176.5	177.5	0	113
678	Q	34.5	Very low	33.7	Very low	154 Å²	154	140.1 Å²	140.1	72%	0.72	79%	0.792	S	S	*	*			cis	-178.2	173.3	2.7	-110.8	-176.7	-2.4	0	0	106.8
679	L	31.9	Very low	33.8	Very low	145 Å²	145	143.7 Å²	143.7	76%	0.759	80%	0.796	S	S	*	*			trans	80.9	124.7	164.8	-57.9	156.3	0	0	0	114.9
680	N	33.9	Very low	33.8	Very low	133 Å²	133	142.8 Å²	142.8	71%	0.711	80%	0.796	S	S	*	*			cis	-159.2	146.3	21.9	-89.1	-30.7	0	0	0	112.3
681	S	33	Very low	34	Very low	106 Å²	106	144.2 Å²	144.2	74%	0.741	80%	0.801	S	S	*	*			trans	29.3	132	145.8	60.7	0	0	0	0	120.5
682	S	36.2	Very low	34.3	Very low	104 Å²	104	141.1 Å²	141.1	73%	0.727	80%	0.797	S	S	*	*				-171.2	127.8	58.3	-45	0	0	0	0	112.1
683	T	31.9	Very low	34.7	Very low	126 Å²	126	144.4 Å²	144.4	77%	0.773	81%	0.805	S	S	*	*			trans	10.7	123.3	146.6	53.9	0	0	0	0	121.7
684	N	36.7	Very low	34.8	Very low	167 Å²	167	145.6 Å²	145.6	89%	0.893	80%	0.802	S	S	*	*				-164.5	131.8	107.7	-122.2	-15	0	0	0	112.6
685	S	31.1	Very low	34.8	Very low	96 Å²	96	147 Å²	147	67%	0.671	81%	0.806	S	S	*	*			trans	-97.3	142.6	-169.1	-47	0	0	0	0	111.3
686	N	41.1	Very low	35.2	Very low	176 Å²	176	144.6 Å²	144.6	94%	0.941	80%	0.802	S	S	*	*			trans	-156.3	104	144.2	-98.7	-24	0	0	0	110.1
687	T	30.5	Very low	35.1	Very low	130 Å²	130	142.8 Å²	142.8	80%	0.798	80%	0.799	S	S	*	*			trans	-80.6	134	174.4	30.5	0	0	0	0	111.9
688	I	41.3	Very low	35.2	Very low	173 Å²	173	139.1 Å²	139.1	89%	0.887	80%	0.803	S	S	*	*			trans	-135.1	128.2	147.2	-60.9	-176.2	0	0	0	109.2
689	K	35.6	Very low	35.2	Very low	189 Å²	189	137.5 Å²	137.5	82%	0.822	80%	0.803	S	S	*	*			trans	-51.1	127.8	-176.8	-69.3	169.8	177.6	-179.4	0	114.2
690	T	32.2	Very low	35.8	Very low	126 Å²	126	137.1 Å²	137.1	77%	0.773	81%	0.807	S	S	*	*				52.9	118.4	88.6	59.4	0	0	0	0	117
691	E	37.5	Very low	35.9	Very low	193 Å²	193	139.2 Å²	139.2	90%	0.902	81%	0.812	S	S	*	*				-156.7	137	128.4	-74.6	-159.1	157.9	0	0	110
692	P	35.2	Very low	36.4	Very low	118 Å²	118	142 Å²	142	77%	0.766	82%	0.817	S	S	*	*			trans	-108.1	153.9	174.7	37.6	-27.3	0	0	0	112.9
693	I	40.2	Very low	36.5	Very low	169 Å²	169	142.7 Å²	142.7	87%	0.867	81%	0.813	S	S	*	*			trans	-120.5	119.9	168.8	-61.3	175.7	0	0	0	109.2
694	T	31.1	Very low	36.7	Very low	124 Å²	124	142.9 Å²	142.9	76%	0.761	82%	0.816	S	S	*	*			trans	-89.7	138.6	171.2	42.6	0	0	0	0	111.4
695	T	36	Very low	37	Very low	142 Å²	142	139 Å²	139	87%	0.871	80%	0.802	S	S	*	*			trans	173.6	145.2	150.8	43.7	0	0	0	0	107.2
696	S	36	Very low	37.8	Very low	113 Å²	113	143 Å²	143	79%	0.79	81%	0.814	S	S	*	*			cis	-166	133.7	-17.4	-179.5	0	0	0	0	103.2
697	T	33.5	Very low	37.6	Very low	135 Å²	135	142.9 Å²	142.9	83%	0.828	81%	0.812	S	S	*	*			trans	-68.3	140	172	30.4	0	0	0	0	111.4
698	A	39.2	Very low	38.6	Very low	103 Å²	103	148 Å²	148	85%	0.851	83%	0.832	S	S	*	*			trans	-130.1	116.8	156.7	0	0	0	0	0	107.7
699	V	35.9	Very low	38.5	Very low	120 Å²	120	146.7 Å²	146.7	73%	0.727	83%	0.829	S	S	*	*			trans	-87	131.5	175.6	173.3	0	0	0	0	107.3	E701	V699-E701 HydrophobicContact CG1-CG 4.33Å
700	T	43.2	Very low	38.7	Very low	137 Å²	137	144.5 Å²	144.5	84%	0.84	83%	0.83	S	S	*	*			trans	-131.9	117.2	156.3	45.1	0	0	0	0	108.7
701	E	35.7	Very low	39	Very low	177 Å²	177	145.5 Å²	145.5	83%	0.827	83%	0.833	S	S	*	*			trans	-69.2	136.3	175.1	-60.6	173.6	151.7	0	0	110.3	V699	V699-E701 HydrophobicContact CG1-CG 4.33Å
702	I	44.9	Very low	39.1	Very low	163 Å²	163	142.7 Å²	142.7	84%	0.836	83%	0.829	S	S	*	*			trans	-138.6	105.5	157.6	-58.5	-177.9	0	0	0	108.5
703	D	37.8	Very low	39.4	Very low	120 Å²	120	144.3 Å²	144.3	64%	0.642	83%	0.833	S	S	*	*			trans	15.4	121.4	151.2	-156.7	-11.7	0	0	0	120.4	S705	D703-S705 WeakPolarHBondContact OD1-CB 3.35Å; D703-S705 PolarHBondContact OD1-N 3.18Å; D703-S705 PolarHBondContact OD1-OG 3.07Å
704	P	36.1	Very low	39.3	Very low	129 Å²	129	142.6 Å²	142.6	84%	0.838	83%	0.83	S	S	*	*			trans	-100.2	84.6	162.9	36.7	-23.7	0	0	0	110.8
705	S	42.9	Very low	39.9	Very low	86 Å²	86	143.9 Å²	143.9	60%	0.601	84%	0.835	S	S	*	*			trans	-139.3	94.7	170.4	-59.9	0	0	0	0	109	D703	D703-S705 WeakPolarHBondContact OD1-CB 3.35Å; D703-S705 PolarHBondContact OD1-N 3.18Å; D703-S705 PolarHBondContact OD1-OG 3.07Å
706	I	47	Very low	40.2	Very low	179 Å²	179	144.1 Å²	144.1	92%	0.918	83%	0.833	S	S	*	*			trans	-177.4	90	151	-83.6	141.5	0	0	0	105.6
707	L	38.3	Very low	40.5	Very low	174 Å²	174	146.7 Å²	146.7	91%	0.911	84%	0.836	S	S	*	*			trans	-133.9	98.6	160.6	-111.1	165.9	0	0	0	105.2
708	I	51.9	Low	41.2	Very low	237 Å²	237	147.7 Å²	147.7	100%	1.215	84%	0.837	S	S	*	*			trans	-128.1	0	150.9	-64.1	-179	0	0	0	105.4

Retrieved 708 of 708 residues in 111.6 ms (Link to these results)

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