A0A096NN20_PAPAN Loading...

Zinc finger and SCAN domain-containing protein 2

May be involved in transcriptional regulation during the post-meiotic stages of spermatogenesis.

AlphaFold DB , UniProt , Accession A0A096NN20, Species PAPAN (Papio anubis, Olive baboon), Gene ZSCAN2, Length 614 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.1	Very low	31	Very low	249 Å²	249	159.8 Å²	159.8	100%	1.227	88%	0.88	S	S	*	*				0	128.1	0	-80	179.2	165.6	0	0	107.4
2	M	33.7	Very low	31.4	Very low	201 Å²	201	156.3 Å²	156.3	99%	0.99	87%	0.871	S	S	*	*			trans	-97	138.5	-145	-63.7	-168.1	172.8	0	0	114
3	A	29.8	Very low	31.2	Very low	102 Å²	102	157.3 Å²	157.3	84%	0.843	87%	0.872	S	S	*	*			trans	-144.1	127	143.3	0	0	0	0	0	106.8
4	A	28.1	Very low	31.2	Very low	102 Å²	102	154 Å²	154	84%	0.843	87%	0.865	S	S	*	*			trans	-163.2	134.4	156.2	0	0	0	0	0	110.6
5	E	28	Very low	31.5	Very low	192 Å²	192	152.1 Å²	152.1	90%	0.897	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-68.9	160	-170.1	-64.5	164.6	139.7	0	0	114.9
6	I	29.5	Very low	31.3	Very low	166 Å²	166	153.1 Å²	153.1	85%	0.851	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-98.1	129.5	175.9	-60.2	169.7	0	0	0	109
7	P	37.6	Very low	31	Very low	111 Å²	111	151.1 Å²	151.1	72%	0.721	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-98.9	150.7	175.8	34.8	-29.1	0	0	0	114.1
8	R	31.3	Very low	30.7	Very low	244 Å²	244	152.8 Å²	152.8	92%	0.921	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-67.5	145.1	166	-69.2	173.9	170.7	-176.5	-3.5	111
9	V	31.2	Very low	30.6	Very low	126 Å²	126	151.1 Å²	151.1	76%	0.764	85%	0.847	S	S	*	*			trans	-126.2	113.5	163.2	179.7	0	0	0	0	109.6
10	T	30.2	Very low	30.4	Very low	135 Å²	135	149.9 Å²	149.9	83%	0.828	85%	0.846	S	S	*	*			trans	-103.3	133.4	154.5	27.5	0	0	0	0	107.4
11	T	30.1	Very low	30.2	Very low	130 Å²	130	150.9 Å²	150.9	80%	0.798	84%	0.844	S	S	*	*			trans	-148.5	153	159.8	19.2	0	0	0	0	111.8
12	P	35.3	Very low	30	Very low	118 Å²	118	145.1 Å²	145.1	77%	0.766	82%	0.823	S	S	*	*			trans	-115.1	-176.8	-160.3	35.3	-16.4	0	0	0	114.3
13	L	28.4	Very low	29.7	Very low	169 Å²	169	144 Å²	144	89%	0.885	82%	0.815	S	S	*	*			trans	-21.8	148.3	170.3	-72.4	152.3	0	0	0	120.1
14	S	31.2	Very low	29.5	Very low	111 Å²	111	146.2 Å²	146.2	78%	0.776	81%	0.813	S	S	*	*			trans	-55	169.2	176.8	-44.7	0	0	0	0	117
15	P	35.7	Very low	29.5	Very low	126 Å²	126	153.3 Å²	153.3	82%	0.818	82%	0.817	S	S	*	*			trans	-130.8	149.8	133.1	27.6	-10.6	0	0	0	114.6
16	L	28.4	Very low	29.4	Very low	167 Å²	167	152 Å²	152	87%	0.874	81%	0.811	S	S	*	*			trans	-60	152.7	164.1	-74.8	147.9	0	0	0	111.6
17	V	26.4	Very low	29.2	Very low	120 Å²	120	152.5 Å²	152.5	73%	0.727	81%	0.807	S	S	*	*				171.3	121.5	126	154.5	0	0	0	0	112.2
18	Q	26.1	Very low	28.7	Very low	181 Å²	181	155.5 Å²	155.5	85%	0.846	81%	0.812	S	S	*	*			trans	63.6	133.9	140.3	-64	168.9	1.2	0	0	124.9
19	V	28.7	Very low	28.4	Very low	120 Å²	120	152.5 Å²	152.5	73%	0.727	81%	0.808	S	S	*	*			trans	-58.3	153.3	170.3	177.4	0	0	0	0	113.6	Q21	V19-Q21 HydrophobicContact CG1-CG 4.25Å
20	P	26.4	Very low	28.1	Very low	127 Å²	127	152.5 Å²	152.5	83%	0.825	81%	0.808	S	S	*	*			trans	-123.8	135	133.6	11	9.3	0	0	0	112.7
21	Q	26.4	Very low	27.8	Very low	172 Å²	172	151.4 Å²	151.4	80%	0.804	80%	0.801	S	S	*	*			trans	-86.7	149.9	160.2	-69.7	-156.6	-28.1	0	0	109.7	V19	V19-Q21 HydrophobicContact CG1-CG 4.25Å
22	V	28.3	Very low	27.5	Very low	127 Å²	127	150.7 Å²	150.7	77%	0.77	80%	0.797	S	S	*	*				179.8	117.4	128.2	163.6	0	0	0	0	109.9
23	E	26.6	Very low	26.9	Very low	179 Å²	179	152.8 Å²	152.8	84%	0.836	80%	0.799	S	S	*	*			trans	56.4	106	138.9	-58.6	176.7	166.2	0	0	123.8
24	D	26.5	Very low	26.7	Very low	147 Å²	147	151.3 Å²	151.3	79%	0.786	79%	0.79	S	S	*	*				60.7	109.8	110.7	-134.3	-3	0	0	0	121.3
25	R	26.7	Very low	26.4	Very low	251 Å²	251	153.4 Å²	153.4	95%	0.947	79%	0.792	S	S	*	*			trans	-162.2	136.4	139	-115.1	175.5	167	-168.1	-4.1	112.5
26	Q	26.8	Very low	25.9	Very low	164 Å²	164	155.9 Å²	155.9	77%	0.766	79%	0.793	S	S	*	*			trans	-75.6	167.7	-162.7	-60.1	173.8	-32.9	0	0	117.2
27	K	25.3	Very low	26	Very low	177 Å²	177	154.8 Å²	154.8	77%	0.77	79%	0.788	S	S	*	*			trans	88.4	131.6	160.5	-62.2	-177.8	-179.3	-175	0	115.1
28	E	26.6	Very low	26	Very low	174 Å²	174	157 Å²	157	81%	0.813	80%	0.796	S	S	*	*			cis	-157.1	149.6	24.9	-118.7	157.2	-149.3	0	0	109.9
29	E	25.8	Very low	25.9	Very low	181 Å²	181	153.3 Å²	153.3	85%	0.846	79%	0.789	S	S	*	*			trans	-67.5	130.5	-180	-72.6	172.2	131.1	0	0	112.9
30	V	25.2	Very low	25.6	Very low	127 Å²	127	158.4 Å²	158.4	77%	0.77	80%	0.796	S	S	*	*			trans	-126.7	94.7	155.5	179.9	0	0	0	0	107.6	T32	V30-T32 PolarHBondContact O-N 3.41Å; V30-T32 VanDerWaalsContact O-N 3.17Å
31	T	22.5	Very low	25.6	Very low	111 Å²	111	157.9 Å²	157.9	68%	0.681	79%	0.79	S	S	*	*			trans	-75.4	95.2	172.5	-47.5	0	0	0	0	109.3	M33	T31-M33 HydrophobicContact CG2-CG 4.48Å; T31-M33 PolarHBondContact O-N 2.89Å
32	T	24.5	Very low	25.6	Very low	116 Å²	116	157.5 Å²	157.5	71%	0.712	79%	0.788	S	S	*	*			trans	-78.9	102	162.5	29.7	0	0	0	0	109	V30 I34	V30-T32 PolarHBondContact O-N 3.41Å; V30-T32 VanDerWaalsContact O-N 3.17Å; T32-I34 PolarHBondContact O-N 3.45Å; T32-I34 VanDerWaalsContact O-N 3.1Å
33	M	21.9	Very low	25.5	Very low	161 Å²	161	159.8 Å²	159.8	79%	0.793	79%	0.791	S	S	*	*			trans	-65.8	103.6	167.7	-71.8	-172.4	175.5	0	0	109.6	T31	T31-M33 HydrophobicContact CG2-CG 4.48Å; T31-M33 PolarHBondContact O-N 2.89Å
34	I	25.9	Very low	25.4	Very low	139 Å²	139	156.2 Å²	156.2	71%	0.713	79%	0.792	S	S	*	*			trans	-86.2	102.2	162.3	-61.3	176.1	0	0	0	106.3	T32 E36	T32-I34 PolarHBondContact O-N 3.45Å; T32-I34 VanDerWaalsContact O-N 3.1Å; I34-E36 HydrophobicContact CG2-CG 4.01Å; I34-E36 PolarHBondContact O-N 3Å
35	L	24.3	Very low	25.4	Very low	154 Å²	154	155 Å²	155	81%	0.806	79%	0.79	S	S	*	*			trans	-85.5	100.8	168.9	-68.5	171.7	0	0	0	108.4
36	E	25.1	Very low	25.6	Very low	178 Å²	178	150.1 Å²	150.1	83%	0.832	78%	0.782	S	S	*	*			trans	-103.2	105.8	162.6	-75	-175.1	169.4	0	0	108.6	I34	I34-E36 HydrophobicContact CG2-CG 4.01Å; I34-E36 PolarHBondContact O-N 3Å
37	D	30.3	Very low	25.4	Very low	144 Å²	144	151.9 Å²	151.9	77%	0.77	79%	0.79	S	S	*	*			trans	-107.1	131.6	162.2	-91	-31	0	0	0	109
38	D	26.3	Very low	25.7	Very low	168 Å²	168	151.4 Å²	151.4	90%	0.898	79%	0.79	S	S	*	*				173.9	79.4	120.4	-85.8	-21	0	0	0	110.1
39	S	24.2	Very low	25.6	Very low	102 Å²	102	151.2 Å²	151.2	71%	0.713	80%	0.795	S	S	*	*			trans	-134.8	94.1	158.3	168.7	0	0	0	0	107.6
40	W	23.1	Very low	25.5	Very low	227 Å²	227	146 Å²	146	86%	0.86	79%	0.79	S	S	*	*			trans	-130.5	116.6	158.5	-119.7	59.1	0	0	0	110.5	Q42	W40-Q42 HydrophobicContact CE3-CG 4.01Å; W40-Q42 HydrophobicContact CZ3-CG 4Å; W40-Q42 VanDerWaalsContact CZ3-NE2 3.34Å
41	V	25.8	Very low	26.4	Very low	117 Å²	117	145.7 Å²	145.7	71%	0.709	79%	0.79	S	S	*	*			trans	-88	142.1	168.4	-178	0	0	0	0	106.2
42	Q	26.3	Very low	26.6	Very low	163 Å²	163	148.9 Å²	148.9	76%	0.762	80%	0.798	S	S	*	*			trans	-129	113.4	155.5	-84	-173.3	-33	0	0	109.7	W40	W40-Q42 HydrophobicContact CE3-CG 4.01Å; W40-Q42 HydrophobicContact CZ3-CG 4Å; W40-Q42 VanDerWaalsContact CZ3-NE2 3.34Å
43	E	25.4	Very low	26.7	Very low	175 Å²	175	149.2 Å²	149.2	82%	0.818	80%	0.804	S	S	*	*			trans	-69.5	144.1	148.9	-73.5	-176.8	137.1	0	0	109.4
44	A	24.8	Very low	27.1	Very low	105 Å²	105	148.8 Å²	148.8	87%	0.868	80%	0.801	S	S	*	*			trans	-146.4	127.2	150.2	0	0	0	0	0	108.2
45	V	27.1	Very low	27.5	Very low	122 Å²	122	148.1 Å²	148.1	74%	0.739	81%	0.805	S	S	*	*			trans	-93.9	134.2	-173.6	165.7	0	0	0	0	110.6
46	L	30.3	Very low	27.6	Very low	148 Å²	148	149 Å²	149	78%	0.775	80%	0.803	S	S	*	*			trans	24.6	133	147	-56.3	169.3	0	0	0	121.8
47	Q	23.7	Very low	28.4	Very low	200 Å²	200	145.1 Å²	145.1	94%	0.935	79%	0.793	S	S	*	*				-155.2	141.4	123.7	-114.8	169.4	-1.6	0	0	112
48	E	30.3	Very low	28.3	Very low	168 Å²	168	146.7 Å²	146.7	79%	0.785	80%	0.796	S	S	*	*			trans	-81.1	155	-179.1	-62.8	-112.6	138	0	0	112.4
49	D	25.2	Very low	28.5	Very low	169 Å²	169	144 Å²	144	90%	0.904	79%	0.79	S	S	*	*			trans	-176.4	129.1	136.1	-89.3	-32.5	0	0	0	110.3
50	G	23.3	Very low	28.7	Very low	72 Å²	72	144.2 Å²	144.2	74%	0.742	80%	0.798	S	S	*	*			trans	-88.9	-163.7	168	0	0	0	0	0	112.2
51	P	45.1	Very low	28.9	Very low	120 Å²	120	136.8 Å²	136.8	78%	0.779	79%	0.792	S	S	*	*			cis	-136.2	-179.8	0.8	39.6	-19	0	0	0	116.2
52	E	26.6	Very low	29.1	Very low	179 Å²	179	141.7 Å²	141.7	84%	0.836	80%	0.804	S	S	*	*			trans	49.6	125.1	153.1	-72.1	-176.9	163.7	0	0	124.8
53	S	25.2	Very low	29.1	Very low	122 Å²	122	137.7 Å²	137.7	85%	0.853	81%	0.806	S	S	*	*				149.1	128	108.4	56.8	0	0	0	0	116
54	E	30.5	Very low	29.2	Very low	153 Å²	153	135.2 Å²	135.2	72%	0.715	81%	0.808	S	S	*	*			trans	-58.3	163.9	171.4	-85.9	-82.9	151.5	0	0	114	F56	E54-F56 PolarHBondContact OE2-N 3.07Å
55	P	34.9	Very low	29.6	Very low	125 Å²	125	135.1 Å²	135.1	81%	0.812	80%	0.801	S	S	*	*				-152.2	158.8	58.5	38.1	-14.6	0	0	0	121
56	F	25.3	Very low	29.7	Very low	171 Å²	171	137.9 Å²	137.9	75%	0.75	81%	0.806	S	S	*	*			trans	-48.9	170.6	153.9	-100.6	-103.3	0	0	0	114.3	E54	E54-F56 PolarHBondContact OE2-N 3.07Å
57	P	41.8	Very low	29.9	Very low	97 Å²	97	138.8 Å²	138.8	63%	0.63	81%	0.806	S	S	*	*			cis	-156.2	170.4	38.8	38.3	-12.9	0	0	0	122.6
58	Q	29.7	Very low	30.1	Very low	178 Å²	178	138.2 Å²	138.2	83%	0.832	80%	0.803	S	S	*	*			trans	67.4	142.7	141	-70.9	162.7	21.8	0	0	121.3
59	S	29.7	Very low	30.4	Very low	111 Å²	111	134.3 Å²	134.3	78%	0.776	79%	0.791	S	S	*	*			cis	-160.9	146.3	34.2	57.1	0	0	0	0	116.7
60	A	28.9	Very low	30.7	Very low	107 Å²	107	133.3 Å²	133.3	88%	0.884	79%	0.791	S	S	*	*			trans	20.2	150.8	145	0	0	0	0	0	123.2
61	G	26.9	Very low	31.8	Very low	70 Å²	70	141.1 Å²	141.1	72%	0.722	80%	0.798	S	S	*	*			cis	176.5	146.7	3.3	0	0	0	0	0	111.1
62	K	30.8	Very low	31.7	Very low	221 Å²	221	137 Å²	137	96%	0.961	78%	0.778	S	S	*	*				142.1	138.2	121.7	-88.8	-179.6	173.4	175.7	0	106.2
63	G	24.8	Very low	32.3	Very low	79 Å²	79	133.1 Å²	133.1	81%	0.814	77%	0.768	S	S	*	*			cis	-174.4	154.9	-6.4	0	0	0	0	0	108.3
64	S	29.4	Very low	33.1	Very low	122 Å²	122	134.3 Å²	134.3	85%	0.853	76%	0.76	S	S	*	*			trans	-168.9	100.1	157.2	-177.9	0	0	0	0	108.8
65	S	32.4	Very low	33.7	Very low	104 Å²	104	129 Å²	129	73%	0.727	75%	0.746	S	S	*	*			trans	-68	150.2	159.3	43	0	0	0	0	108.8
66	Q	28.1	Very low	34.4	Very low	180 Å²	180	126.1 Å²	126.1	84%	0.841	73%	0.733	S	S	*	*			cis	-161.2	138.7	34.1	-148.8	167.6	-31.1	0	0	110.1
67	E	35.3	Very low	35.3	Very low	167 Å²	167	120.6 Å²	120.6	78%	0.78	71%	0.711	S	S	*	*			trans	-84.5	151.6	166.6	-62.3	171.8	127.7	0	0	110.7	V69	E67-V69 HydrophobicContact CB-CG2 4.12Å
68	E	26.8	Very low	35.7	Very low	187 Å²	187	119.6 Å²	119.6	87%	0.874	71%	0.706	S	S	*	*			trans	-140.3	99.9	143.9	-82.7	-170.5	145.3	0	0	105.4
69	V	37.3	Very low	36.6	Very low	86 Å²	86	120.4 Å²	120.4	52%	0.521	70%	0.702	S	S	.	*				59.8	82.4	68.8	-169.4	0	0	0	0	113	E67 R71	E67-V69 HydrophobicContact CB-CG2 4.12Å; V69-R71 HydrophobicContact CG1-CB 3.66Å; V69-R71 HydrophobicContact CG1-CG 3.48Å; V69-R71 VanDerWaalsContact CG1-CG 3.48Å; V69-R71 PolarHBondContact O-N 3.5Å
70	T	31.1	Very low	37.4	Very low	148 Å²	148	118.9 Å²	118.9	91%	0.908	69%	0.685	S	S	*	*			trans	-80.2	76.9	150.3	45.3	0	0	0	0	108.9	G72	T70-G72 PolarHBondContact O-N 3.46Å
71	R	47.1	Very low	38.5	Very low	236 Å²	236	117.8 Å²	117.8	89%	0.891	66%	0.658	S	S	*	*			trans	-83.1	103.6	160.8	-94.6	176.6	-172.1	171.9	3.2	107.4	V69	V69-R71 HydrophobicContact CG1-CB 3.66Å; V69-R71 HydrophobicContact CG1-CG 3.48Å; V69-R71 VanDerWaalsContact CG1-CG 3.48Å; V69-R71 PolarHBondContact O-N 3.5Å
72	G	42.2	Very low	39.8	Very low	34 Å²	34	119.3 Å²	119.3	35%	0.351	65%	0.646	S	S	.	*			trans	-137.2	142.6	162.6	0	0	0	0	0	109	T70 Q74 G75 A76	T70-G72 PolarHBondContact O-N 3.46Å; G72-Q74 PolarHBondContact O-N 3.38Å; G72-Q74 VanDerWaalsContact O-N 3.11Å; G72-G75 PolarHBondContact O-N 3.1Å; G72-A76 PolarHBondContact O-N 2.94Å
73	P	40.5	Very low	40.6	Very low	97 Å²	97	113.1 Å²	113.1	63%	0.63	62%	0.623	S	S	*	*	H	α-helix	trans	-49.6	-37.5	178.1	-25	32	0	0	0	112.7	G75 A76 L77	P73-G75 PolarHBondContact O-N 3.37Å; P73-A76 PolarHBondContact O-N 3.43Å; P73-L77 WeakPolarHBondContact O-CB 3.39Å; P73-L77 WeakPolarHBondContact O-CG 3.46Å; P73-L77 PolarHBondContact O-N 3.15Å
74	Q	41.8	Very low	42	Very low	147 Å²	147	110.7 Å²	110.7	69%	0.687	59%	0.593	S	S	*	*	H	α-helix	trans	-65.5	-31.3	176.8	-82.5	171.7	-21.8	0	0	114.8	G72 S78	G72-Q74 PolarHBondContact O-N 3.38Å; G72-Q74 VanDerWaalsContact O-N 3.11Å; Q74-S78 VanDerWaalsContact O-CB 3.26Å; Q74-S78 WeakPolarHBondContact O-CB 3.14Å; Q74-S78 PolarHBondContact O-N 3.07Å; Q74-S78 PolarHBondContact O-OG 3.45Å
75	G	43.5	Very low	43.3	Very low	41 Å²	41	111.2 Å²	111.2	42%	0.423	58%	0.576	S	S	.	*	H	α-helix	trans	-73.4	-35.7	177.3	0	0	0	0	0	112.3	G72 P73 R79	G72-G75 PolarHBondContact O-N 3.1Å; P73-G75 PolarHBondContact O-N 3.37Å; G75-R79 PolarHBondContact O-N 3.22Å
76	A	48.3	Very low	44.3	Very low	65 Å²	65	114.4 Å²	114.4	54%	0.537	57%	0.572	S	S	.	*	H	α-helix	trans	-71.7	-45.3	172.6	0	0	0	0	0	111.3	G72 P73 S78 R79 L80	G72-A76 PolarHBondContact O-N 2.94Å; P73-A76 PolarHBondContact O-N 3.43Å; A76-S78 PolarHBondContact O-N 3.5Å; A76-R79 PolarHBondContact O-N 3.48Å; A76-L80 WeakPolarHBondContact O-CB 3.45Å; A76-L80 PolarHBondContact O-N 3.49Å
77	L	45.2	Very low	45.6	Very low	56 Å²	56	113.6 Å²	113.6	29%	0.293	56%	0.561	S	S	.	*	H	α-helix	trans	-63.4	-38.5	177.3	-82.5	161.3	0	0	0	113	P73 L80 R81	P73-L77 WeakPolarHBondContact O-CB 3.39Å; P73-L77 WeakPolarHBondContact O-CG 3.46Å; P73-L77 PolarHBondContact O-N 3.15Å; L77-L80 PolarHBondContact O-N 3.42Å; L77-R81 VanDerWaalsContact O-CB 3.29Å; L77-R81 WeakPolarHBondContact O-CB 3.36Å; L77-R81 PolarHBondContact O-N 3.02Å
78	S	49.7	Very low	46.5	Very low	75 Å²	75	106.6 Å²	106.6	52%	0.524	53%	0.53	S	S	.	.	H	α-helix	trans	-68.4	-36.6	177.6	-60.8	0	0	0	0	112.2	Q74 A76 E82	Q74-S78 VanDerWaalsContact O-CB 3.26Å; Q74-S78 WeakPolarHBondContact O-CB 3.14Å; Q74-S78 PolarHBondContact O-N 3.07Å; Q74-S78 PolarHBondContact O-OG 3.45Å; A76-S78 PolarHBondContact O-N 3.5Å; S78-E82 WeakPolarHBondContact O-CB 3.46Å; S78-E82 PolarHBondContact O-N 3.03Å
79	R	48.5	Very low	48	Very low	195 Å²	195	104.8 Å²	104.8	74%	0.736	52%	0.515	S	S	*	.	H	α-helix	trans	-69.8	-40	172	-85.2	178.4	155.5	-178.2	-5.4	111.8	G75 A76 R81 E82 L83	G75-R79 PolarHBondContact O-N 3.22Å; A76-R79 PolarHBondContact O-N 3.48Å; R79-R81 VanDerWaalsContact C-N 3.34Å; R79-E82 PolarHBondContact O-N 2.78Å; R79-L83 WeakPolarHBondContact O-CB 3.44Å; R79-L83 WeakPolarHBondContact O-CD1 3.44Å; R79-L83 WeakPolarHBondContact O-CG 3.45Å; R79-L83 PolarHBondContact O-N 3.31Å
80	L	47.1	Very low	48.8	Very low	80 Å²	80	102.6 Å²	102.6	42%	0.419	50%	0.502	S	S	.	.	H	α-helix	trans	-63	-41.4	175.5	-156.4	82.6	0	0	0	110.8	A76 L77 L83 C84	A76-L80 WeakPolarHBondContact O-CB 3.45Å; A76-L80 PolarHBondContact O-N 3.49Å; L77-L80 PolarHBondContact O-N 3.42Å; L80-L83 CarbonylContact O-C 3.59Å; L80-L83 PolarHBondContact O-N 3.22Å; L80-C84 WeakPolarHBondContact O-CB 3.3Å; L80-C84 PolarHBondContact O-N 3.4Å; L80-C84 PolarHBondContact O-SG 3.21Å
81	R	52.3	Low	50	Low	84 Å²	84	104.2 Å²	104.2	32%	0.317	50%	0.5	S	S	.	.	H	α-helix	trans	-65.9	-41.9	177.1	-167.7	-178.3	-172.8	-178	8.4	113.1	L77 R79 L83 C84 R85	L77-R81 VanDerWaalsContact O-CB 3.29Å; L77-R81 WeakPolarHBondContact O-CB 3.36Å; L77-R81 PolarHBondContact O-N 3.02Å; R79-R81 VanDerWaalsContact C-N 3.34Å; R81-L83 VanDerWaalsContact C-N 3.31Å; R81-C84 PolarHBondContact O-N 2.75Å; R81-R85 WeakPolarHBondContact O-CB 3.36Å; R81-R85 WeakPolarHBondContact O-CG 3.45Å; R81-R85 PolarHBondContact O-N 3.17Å
82	E	53.3	Low	50.4	Low	101 Å²	101	97.5 Å²	97.5	47%	0.472	48%	0.484	S	S	.	.	H	α-helix	trans	-66.3	-36	174.7	-177.7	60.5	-160	0	0	111.1	S78 R79 R86	S78-E82 WeakPolarHBondContact O-CB 3.46Å; S78-E82 PolarHBondContact O-N 3.03Å; R79-E82 PolarHBondContact O-N 2.78Å; E82-R86 WeakPolarHBondContact O-CB 3.33Å; E82-R86 PolarHBondContact O-N 3.3Å; E82-R86 IonicContact OE1-NH1 3.96Å
83	L	48.5	Very low	51.1	Low	92 Å²	92	99.5 Å²	99.5	48%	0.482	48%	0.484	S	S	.	.	H	α-helix	trans	-69	-49	173.4	-71.9	167	0	0	0	111.2	R79 L80 R81 R85 R86 W87	R79-L83 WeakPolarHBondContact O-CB 3.44Å; R79-L83 WeakPolarHBondContact O-CD1 3.44Å; R79-L83 WeakPolarHBondContact O-CG 3.45Å; R79-L83 PolarHBondContact O-N 3.31Å; L80-L83 CarbonylContact O-C 3.59Å; L80-L83 PolarHBondContact O-N 3.22Å; R81-L83 VanDerWaalsContact C-N 3.31Å; L83-R85 PolarHBondContact O-N 2.8Å; L83-R86 PolarHBondContact O-N 3.46Å; L83-R86 VanDerWaalsContact O-N 3.15Å; L83-W87 VanDerWaalsContact O-CB 3.22Å; L83-W87 WeakPolarHBondContact O-CB 3.26Å; L83-W87 PolarHBondContact O-N 3.4Å
84	C	53.3	Low	52.1	Low	27 Å²	27	98.3 Å²	98.3	18%	0.182	48%	0.475	C	S	.	.	H	α-helix	trans	-58.6	-44.6	177.9	-71.8	0	0	0	0	112.2	L80 R81 R86 W87 L88	L80-C84 WeakPolarHBondContact O-CB 3.3Å; L80-C84 PolarHBondContact O-N 3.4Å; L80-C84 PolarHBondContact O-SG 3.21Å; R81-C84 PolarHBondContact O-N 2.75Å; C84-R86 VanDerWaalsContact C-N 3.31Å; C84-R86 PolarHBondContact O-N 2.94Å; C84-W87 PolarHBondContact O-N 3.13Å; C84-L88 HydrophobicContact CB-CD1 3.94Å; C84-L88 WeakPolarHBondContact O-CB 3.39Å; C84-L88 WeakPolarHBondContact O-CD1 3.47Å; C84-L88 VanDerWaalsContact O-CG 3.22Å; C84-L88 WeakPolarHBondContact O-CG 3.29Å; C84-L88 PolarHBondContact O-N 2.99Å
85	R	56.2	Low	53.1	Low	133 Å²	133	94.5 Å²	94.5	50%	0.502	46%	0.457	S	S	.	.	H	α-helix	trans	-63.3	-36.6	176.1	-79.2	-179.2	178.6	177.1	-2.7	113.5	R81 L83 E126	R81-R85 WeakPolarHBondContact O-CB 3.36Å; R81-R85 WeakPolarHBondContact O-CG 3.45Å; R81-R85 PolarHBondContact O-N 3.17Å; L83-R85 PolarHBondContact O-N 2.8Å; R85-E126 IonicContact NE-OE1 3.08Å
86	R	53.9	Low	53.9	Low	171 Å²	171	99.6 Å²	99.6	65%	0.645	47%	0.47	S	S	*	.	H	α-helix	trans	-79.9	-23.8	-177.4	-155.7	165.5	179.4	150.2	-3.9	112.1	E82 L83 C84	E82-R86 WeakPolarHBondContact O-CB 3.33Å; E82-R86 PolarHBondContact O-N 3.3Å; E82-R86 IonicContact OE1-NH1 3.96Å; L83-R86 PolarHBondContact O-N 3.46Å; L83-R86 VanDerWaalsContact O-N 3.15Å; C84-R86 VanDerWaalsContact C-N 3.31Å; C84-R86 PolarHBondContact O-N 2.94Å
87	W	55	Low	54.5	Low	163 Å²	163	101.2 Å²	101.2	62%	0.617	47%	0.466	S	S	*	.	H	α-helix	trans	-97.8	-40.6	-177.1	-78.7	57.4	0	0	0	114.1	L83 C84 R89 V101	L83-W87 VanDerWaalsContact O-CB 3.22Å; L83-W87 WeakPolarHBondContact O-CB 3.26Å; L83-W87 PolarHBondContact O-N 3.4Å; C84-W87 PolarHBondContact O-N 3.13Å; W87-R89 VanDerWaalsContact C-N 3.31Å; W87-R89 PolarHBondContact O-N 3.4Å; W87-V101 HydrophobicContact CE3-CG1 3.27Å; W87-V101 HydrophobicContact CZ3-CG1 3.31Å
88	L	55.3	Low	55.2	Low	21 Å²	21	99.1 Å²	99.1	11%	0.11	46%	0.455	C	S	.	.	H	α-helix	trans	-67.7	-27.4	-169.1	-75.4	165.8	0	0	0	113.6	C84 P90 M98 L102	C84-L88 HydrophobicContact CB-CD1 3.94Å; C84-L88 WeakPolarHBondContact O-CB 3.39Å; C84-L88 WeakPolarHBondContact O-CD1 3.47Å; C84-L88 VanDerWaalsContact O-CG 3.22Å; C84-L88 WeakPolarHBondContact O-CG 3.29Å; C84-L88 PolarHBondContact O-N 2.99Å; L88-P90 VanDerWaalsContact C-N 3.31Å; L88-P90 WeakPolarHBondContact O-CA 3.35Å; L88-P90 WeakPolarHBondContact O-CD 3.5Å; L88-M98 HydrophobicContact CB-CE 3.75Å; L88-M98 HydrophobicContact CD2-CE 3.29Å; L88-M98 HydrophobicContact CG-CE 4.09Å; L88-M98 WeakPolarHBondContact O-CE 3.45Å; L88-L102 HydrophobicContact CD2-CD2 4.3Å
89	R	58	Low	55.5	Low	149 Å²	149	96.9 Å²	96.9	56%	0.562	44%	0.437	S	S	*	.			trans	11.8	70.9	173.7	-69.5	-169.6	172.9	-163.5	-5.3	113.7	W87 E91 V92 H93	W87-R89 VanDerWaalsContact C-N 3.31Å; W87-R89 PolarHBondContact O-N 3.4Å; R89-E91 PolarHBondContact O-N 3.12Å; R89-E91 VanDerWaalsContact O-N 3.1Å; R89-V92 HydrophobicContact CB-CB 4.29Å; R89-V92 HydrophobicContact CB-CG2 4.28Å; R89-V92 PolarHBondContact O-N 3.49Å; R89-H93 PolarHBondContact O-N 3.2Å
90	P	54.3	Low	56.1	Low	40 Å²	40	92.8 Å²	92.8	26%	0.26	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-18.8	-171.1	24.3	-33	0	0	0	111.9	L88 V92 M98 S118 E119 A122	L88-P90 VanDerWaalsContact C-N 3.31Å; L88-P90 WeakPolarHBondContact O-CA 3.35Å; L88-P90 WeakPolarHBondContact O-CD 3.5Å; P90-V92 PolarHBondContact O-N 3.34Å; P90-M98 HydrophobicContact CB-SD 4.4Å; P90-S118 PolarHBondContact O-OG 3.06Å; P90-E119 HydrophobicContact CB-CG 4.03Å; P90-A122 HydrophobicContact CG-CB 4.46Å
91	E	56.7	Low	56.6	Low	182 Å²	182	92.8 Å²	92.8	85%	0.85	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.1	171.4	-58.8	172.8	-178.6	0	0	113.8	R89	R89-E91 PolarHBondContact O-N 3.12Å; R89-E91 VanDerWaalsContact O-N 3.1Å
92	V	55.8	Low	56.9	Low	94 Å²	94	89.8 Å²	89.8	57%	0.57	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.2	-26.2	-170.3	-174.1	0	0	0	0	113.2	R89 P90	R89-V92 HydrophobicContact CB-CB 4.29Å; R89-V92 HydrophobicContact CB-CG2 4.28Å; R89-V92 PolarHBondContact O-N 3.49Å; P90-V92 PolarHBondContact O-N 3.34Å
93	H	56.3	Low	57.5	Low	76 Å²	76	87.8 Å²	87.8	35%	0.352	42%	0.423	S	S	.	.	S	Bend	trans	-120	142.6	-172.9	-60.6	86.1	0	0	0	112.5	R89 Q97 M98	R89-H93 PolarHBondContact O-N 3.2Å; H93-Q97 HydrophobicContact CB-CB 4.37Å; H93-M98 HydrophobicContact CB-CG 3.92Å
94	T	60.9	Low	58.2	Low	72 Å²	72	91.4 Å²	91.4	44%	0.442	43%	0.434	S	S	.	.			trans	-73.8	155.6	174.1	67.1	0	0	0	0	110.8	E96 Q97 M98	T94-E96 PolarHBondContact O-N 3.39Å; T94-E96 VanDerWaalsContact O-N 3.14Å; T94-Q97 VanDerWaalsContact N-OE1 3.12Å; T94-Q97 WeakPolarHBondContact O-CB 3.33Å; T94-Q97 PolarHBondContact O-N 3.32Å; T94-Q97 WeakPolarHBondContact OG1-CG 3.5Å; T94-Q97 PolarHBondContact OG1-OE1 3.25Å; T94-M98 PolarHBondContact O-N 3.18Å
95	K	62.5	Low	58.8	Low	67 Å²	67	96.9 Å²	96.9	29%	0.291	46%	0.458	S	S	.	.	H	α-helix	trans	-49	-41.8	178.8	175.6	-172.6	161.7	-168.4	0	112.8	M98 L99 P115	K95-M98 PolarHBondContact O-N 3.49Å; K95-L99 HydrophobicContact CG-CD1 4.16Å; K95-L99 VanDerWaalsContact O-CG 3.31Å; K95-L99 WeakPolarHBondContact O-CG 3.46Å; K95-L99 PolarHBondContact O-N 3Å; K95-P115 VanDerWaalsContact CD-O 3.26Å; K95-P115 WeakPolarHBondContact CD-O 3.47Å; K95-P115 WeakPolarHBondContact CE-O 3.19Å; K95-P115 PolarHBondContact NZ-O 3.28Å
96	E	61.9	Low	59.2	Low	149 Å²	149	92 Å²	92	70%	0.696	44%	0.441	S	S	*	.	H	α-helix	trans	-67.2	-39.6	-179.6	-68.1	152	179.6	0	0	111.9	T94 L99 T100	T94-E96 PolarHBondContact O-N 3.39Å; T94-E96 VanDerWaalsContact O-N 3.14Å; E96-L99 PolarHBondContact O-N 3.35Å; E96-T100 WeakPolarHBondContact O-CG2 3.41Å; E96-T100 PolarHBondContact O-N 3.39Å
97	Q	60.1	Low	59.8	Low	99 Å²	99	86.4 Å²	86.4	46%	0.463	42%	0.422	S	S	.	.	H	α-helix	trans	-66.5	-39.7	175.1	-68.8	171.5	-25.6	0	0	111.1	H93 T94 L99 T100 V101	H93-Q97 HydrophobicContact CB-CB 4.37Å; T94-Q97 VanDerWaalsContact N-OE1 3.12Å; T94-Q97 WeakPolarHBondContact O-CB 3.33Å; T94-Q97 PolarHBondContact O-N 3.32Å; T94-Q97 WeakPolarHBondContact OG1-CG 3.5Å; T94-Q97 PolarHBondContact OG1-OE1 3.25Å; Q97-L99 PolarHBondContact O-N 3.38Å; Q97-T100 PolarHBondContact O-N 3.02Å; Q97-T100 PolarHBondContact O-OG1 2.94Å; Q97-V101 WeakPolarHBondContact O-CG2 3.4Å
98	M	58.7	Low	60.5	Low	12 Å²	12	81.3 Å²	81.3	6%	0.059	42%	0.415	C	S	.	.	H	α-helix	trans	-64.3	-38.7	175.8	-67.5	177.8	67.2	0	0	112.6	L88 P90 H93 T94 K95 T100 V101 L102 S118 A122	L88-M98 HydrophobicContact CB-CE 3.75Å; L88-M98 HydrophobicContact CD2-CE 3.29Å; L88-M98 HydrophobicContact CG-CE 4.09Å; L88-M98 WeakPolarHBondContact O-CE 3.45Å; P90-M98 HydrophobicContact CB-SD 4.4Å; H93-M98 HydrophobicContact CB-CG 3.92Å; T94-M98 PolarHBondContact O-N 3.18Å; K95-M98 PolarHBondContact O-N 3.49Å; M98-T100 PolarHBondContact O-N 3.5Å; M98-V101 PolarHBondContact O-N 3.01Å; M98-L102 WeakPolarHBondContact O-CG 3.31Å; M98-S118 WeakPolarHBondContact SD-CB 3.48Å; M98-A122 HydrophobicContact CE-CB 4.3Å
99	L	58	Low	61.3	Low	27 Å²	27	83.2 Å²	83.2	14%	0.141	42%	0.42	C	S	.	.	H	α-helix	trans	-67.9	-31.3	179.4	-73.1	170.3	0	0	0	113.3	K95 E96 Q97 V101 Q107 L110	K95-L99 HydrophobicContact CG-CD1 4.16Å; K95-L99 VanDerWaalsContact O-CG 3.31Å; K95-L99 WeakPolarHBondContact O-CG 3.46Å; K95-L99 PolarHBondContact O-N 3Å; E96-L99 PolarHBondContact O-N 3.35Å; Q97-L99 PolarHBondContact O-N 3.38Å; L99-V101 PolarHBondContact O-N 3.3Å; L99-Q107 PolarHBondContact O-NE2 2.81Å; L99-L110 HydrophobicContact CD2-CB 3.95Å; L99-L110 HydrophobicContact CD2-CD1 4Å
100	T	60.2	Low	61.8	Low	109 Å²	109	76.2 Å²	76.2	67%	0.669	39%	0.394	S	S	*	.	H	α-helix	trans	-72.4	-15.7	178.6	57.2	0	0	0	0	114.4	E96 Q97 M98	E96-T100 WeakPolarHBondContact O-CG2 3.41Å; E96-T100 PolarHBondContact O-N 3.39Å; Q97-T100 PolarHBondContact O-N 3.02Å; Q97-T100 PolarHBondContact O-OG1 2.94Å; M98-T100 PolarHBondContact O-N 3.5Å
101	V	57.1	Low	62.5	Low	81 Å²	81	79.9 Å²	79.9	49%	0.491	41%	0.408	S	S	.	.	H	α-helix	trans	-105.1	-9.9	-171.4	-179.7	0	0	0	0	112.1	W87 Q97 M98 L99	W87-V101 HydrophobicContact CE3-CG1 3.27Å; W87-V101 HydrophobicContact CZ3-CG1 3.31Å; Q97-V101 WeakPolarHBondContact O-CG2 3.4Å; M98-V101 PolarHBondContact O-N 3.01Å; L99-V101 PolarHBondContact O-N 3.3Å
102	L	59.7	Low	63.2	Low	21 Å²	21	78.6 Å²	78.6	11%	0.11	40%	0.402	C	S	.	.	S	Bend	trans	-83.4	148.1	179.3	-75.2	167.1	0	0	0	112.2	L88 M98 I106 L110	L88-L102 HydrophobicContact CD2-CD2 4.3Å; M98-L102 WeakPolarHBondContact O-CG 3.31Å; L102-I106 HydrophobicContact CD1-CG2 4.43Å; L102-I106 HydrophobicContact CD2-CG2 4.34Å; L102-L110 HydrophobicContact CD1-CD1 3.39Å
103	P	64.7	Low	64	Low	59 Å²	59	78.8 Å²	78.8	38%	0.383	40%	0.396	S	S	.	.			trans	-53.7	144	168.7	-23.7	33.6	0	0	0	111.3	E105 I106 Q107	P103-E105 WeakPolarHBondContact CB-OE2 3.43Å; P103-E105 PolarHBondContact O-N 3.37Å; P103-I106 HydrophobicContact CG-CD1 4.43Å; P103-I106 PolarHBondContact O-N 3.48Å; P103-Q107 PolarHBondContact O-N 3.36Å
104	K	63.9	Low	64.8	Low	167 Å²	167	84.9 Å²	84.9	73%	0.726	42%	0.416	S	S	*	.	H	α-helix	trans	-57.8	-30.2	-170.4	-69.6	-175.5	177.4	-179.1	0	113	A108	K104-A108 WeakPolarHBondContact O-CB 3.34Å; K104-A108 PolarHBondContact O-N 3.47Å
105	E	65	Low	65.1	Low	143 Å²	143	81.6 Å²	81.6	67%	0.668	40%	0.396	S	S	*	.	H	α-helix	trans	-68.1	-43.3	179.7	-57.3	74.6	-161	0	0	111.4	P103 W109	P103-E105 WeakPolarHBondContact CB-OE2 3.43Å; P103-E105 PolarHBondContact O-N 3.37Å; E105-W109 PolarHBondContact O-N 2.96Å
106	I	66.1	Low	65.4	Low	31 Å²	31	86.9 Å²	86.9	16%	0.159	42%	0.422	C	S	.	.	H	α-helix	trans	-76.3	-34	178	-58.8	176.5	0	0	0	110.2	L102 P103 W109 L110 V125	L102-I106 HydrophobicContact CD1-CG2 4.43Å; L102-I106 HydrophobicContact CD2-CG2 4.34Å; P103-I106 HydrophobicContact CG-CD1 4.43Å; P103-I106 PolarHBondContact O-N 3.48Å; I106-W109 PolarHBondContact O-N 3.03Å; I106-L110 HydrophobicContact CG2-CD1 4.15Å; I106-L110 WeakPolarHBondContact O-CB 3.49Å; I106-L110 PolarHBondContact O-N 3.33Å; I106-V125 HydrophobicContact CG2-CG2 4.02Å
107	Q	65.1	Low	65.8	Low	53 Å²	53	81.9 Å²	81.9	25%	0.248	40%	0.403	C	S	.	.	H	α-helix	trans	-61.8	-42.7	174.8	-169.9	-176	7.2	0	0	111.8	L99 P103 L110 Q111	L99-Q107 PolarHBondContact O-NE2 2.81Å; P103-Q107 PolarHBondContact O-N 3.36Å; Q107-L110 PolarHBondContact O-N 3.08Å; Q107-Q111 WeakPolarHBondContact O-CB 3.32Å; Q107-Q111 WeakPolarHBondContact O-CG 3.4Å; Q107-Q111 PolarHBondContact O-N 3.47Å
108	A	69.8	Low	65.9	Low	55 Å²	55	78.1 Å²	78.1	46%	0.455	39%	0.388	S	S	.	.	H	α-helix	trans	-64	-43.2	176.5	0	0	0	0	0	111.9	K104 Q111 E112	K104-A108 WeakPolarHBondContact O-CB 3.34Å; K104-A108 PolarHBondContact O-N 3.47Å; A108-Q111 PolarHBondContact O-N 3.41Å; A108-E112 PolarHBondContact O-N 3.23Å
109	W	72.9	Confident	66.3	Low	61 Å²	61	83.8 Å²	83.8	23%	0.231	41%	0.414	C	S	.	.	H	α-helix	trans	-63.7	-44.1	176.8	-174.6	84.3	0	0	0	112.3	E105 I106 Q111 E112 H113 L124 L128	E105-W109 PolarHBondContact O-N 2.96Å; I106-W109 PolarHBondContact O-N 3.03Å; W109-Q111 VanDerWaalsContact C-N 3.32Å; W109-Q111 PolarHBondContact O-N 3.17Å; W109-E112 WeakPolarHBondContact O-CB 3.49Å; W109-E112 PolarHBondContact O-N 3.21Å; W109-H113 AromaticContact CD2-CD2 3.75Å; W109-H113 AromaticContact CE2-CD2 3.4Å; W109-H113 AromaticContact CE2-NE2 3.4Å; W109-H113 AromaticContact CZ2-CD2 3.54Å; W109-H113 AromaticContact CZ2-NE2 3.44Å; W109-H113 WeakPolarHBondContact CZ2-NE2 3.42Å; W109-H113 AromaticContact NE1-CD2 3.72Å; W109-H113 AromaticContact NE1-NE2 3.42Å; W109-H113 PolarHBondContact NE1-NE2 2.78Å; W109-H113 PolarHBondContact O-CD2 3.07Å; W109-H113 PolarHBondContact O-N 3.43Å; W109-L124 HydrophobicContact CH2-CB 4.01Å; W109-L124 HydrophobicContact CH2-CD2 4.48Å; W109-L124 WeakPolarHBondContact CH2-O 3.47Å; W109-L124 HydrophobicContact CZ3-CB 3.83Å; W109-L124 WeakPolarHBondContact CZ3-O 3.38Å; W109-L128 HydrophobicContact CD2-CD2 3.89Å; W109-L128 HydrophobicContact CE3-CD2 3.91Å; W109-L128 HydrophobicContact CG-CD2 4.32Å; W109-L128 HydrophobicContact CH2-CB 4.04Å; W109-L128 HydrophobicContact CZ2-CB 4.34Å; W109-L128 HydrophobicContact CZ2-CD1 4.14Å; W109-L128 HydrophobicContact CZ3-CB 4.21Å; W109-L128 HydrophobicContact CZ3-CD2 4.27Å
110	L	68.9	Low	67	Low	3 Å²	3	86.9 Å²	86.9	2%	0.016	43%	0.428	C	S	.	.	H	α-helix	trans	-65.9	-31.5	175.6	-83.4	166.4	0	0	0	113.5	L99 L102 I106 Q107 E112 H113 R114 P115 A121 L124 V125	L99-L110 HydrophobicContact CD2-CB 3.95Å; L99-L110 HydrophobicContact CD2-CD1 4Å; L102-L110 HydrophobicContact CD1-CD1 3.39Å; I106-L110 HydrophobicContact CG2-CD1 4.15Å; I106-L110 WeakPolarHBondContact O-CB 3.49Å; I106-L110 PolarHBondContact O-N 3.33Å; Q107-L110 PolarHBondContact O-N 3.08Å; L110-E112 VanDerWaalsContact C-N 3.28Å; L110-E112 PolarHBondContact O-N 2.83Å; L110-H113 PolarHBondContact O-N 3.19Å; L110-R114 PolarHBondContact O-N 3.14Å; L110-R114 VanDerWaalsContact O-N 3.14Å; L110-P115 HydrophobicContact CD2-CG 4.06Å; L110-P115 WeakPolarHBondContact O-CD 3.25Å; L110-A121 HydrophobicContact CD2-CB 4.2Å; L110-L124 HydrophobicContact CD2-CB 4.16Å; L110-L124 HydrophobicContact CD2-CD1 4.38Å; L110-V125 HydrophobicContact CD1-CG2 3.61Å; L110-V125 HydrophobicContact CD2-CG2 4.07Å; L110-V125 HydrophobicContact CG-CG2 4.06Å
111	Q	68.9	Low	67.3	Low	116 Å²	116	81.9 Å²	81.9	54%	0.542	40%	0.398	S	S	.	.	H	α-helix	trans	-66.8	-31	174.8	-80.3	-180	-15.5	0	0	112.3	Q107 A108 W109 R114	Q107-Q111 WeakPolarHBondContact O-CB 3.32Å; Q107-Q111 WeakPolarHBondContact O-CG 3.4Å; Q107-Q111 PolarHBondContact O-N 3.47Å; A108-Q111 PolarHBondContact O-N 3.41Å; W109-Q111 VanDerWaalsContact C-N 3.32Å; W109-Q111 PolarHBondContact O-N 3.17Å; Q111-R114 WeakPolarHBondContact O-CG 3.27Å
112	E	71.8	Confident	67.9	Low	156 Å²	156	78.8 Å²	78.8	73%	0.729	38%	0.38	S	S	*	.	H	α-helix	trans	-71.6	-38	176.6	-164.5	168.9	-172.2	0	0	112	A108 W109 L110	A108-E112 PolarHBondContact O-N 3.23Å; W109-E112 WeakPolarHBondContact O-CB 3.49Å; W109-E112 PolarHBondContact O-N 3.21Å; L110-E112 VanDerWaalsContact C-N 3.28Å; L110-E112 PolarHBondContact O-N 2.83Å
113	H	70.9	Confident	68.6	Low	97 Å²	97	80.6 Å²	80.6	45%	0.449	40%	0.398	S	S	.	.	H	α-helix	trans	-84.9	-7.8	179.4	-73.5	-78.3	0	0	0	115.1	W109 L110 L124	W109-H113 AromaticContact CD2-CD2 3.75Å; W109-H113 AromaticContact CE2-CD2 3.4Å; W109-H113 AromaticContact CE2-NE2 3.4Å; W109-H113 AromaticContact CZ2-CD2 3.54Å; W109-H113 AromaticContact CZ2-NE2 3.44Å; W109-H113 WeakPolarHBondContact CZ2-NE2 3.42Å; W109-H113 AromaticContact NE1-CD2 3.72Å; W109-H113 AromaticContact NE1-NE2 3.42Å; W109-H113 PolarHBondContact NE1-NE2 2.78Å; W109-H113 PolarHBondContact O-CD2 3.07Å; W109-H113 PolarHBondContact O-N 3.43Å; L110-H113 PolarHBondContact O-N 3.19Å; H113-L124 HydrophobicContact CB-CD1 4.06Å
114	R	72.8	Confident	69.1	Low	205 Å²	205	79.8 Å²	79.8	77%	0.774	39%	0.391	S	S	*	.			trans	40.5	56.4	175.3	-69.4	-164.1	166.1	113.3	-0.6	115.8	L110 Q111 E116	L110-R114 PolarHBondContact O-N 3.14Å; L110-R114 VanDerWaalsContact O-N 3.14Å; Q111-R114 WeakPolarHBondContact O-CG 3.27Å; R114-E116 PolarHBondContact O-N 3.18Å
115	P	68.9	Low	69.4	Low	2 Å²	2	72.1 Å²	72.1	1%	0.013	36%	0.358	C	S	.	.			trans	-60.2	137	177.9	23.9	-32.3	0	0	0	111.4	K95 L110 E120 A121 L124	K95-P115 VanDerWaalsContact CD-O 3.26Å; K95-P115 WeakPolarHBondContact CD-O 3.47Å; K95-P115 WeakPolarHBondContact CE-O 3.19Å; K95-P115 PolarHBondContact NZ-O 3.28Å; L110-P115 HydrophobicContact CD2-CG 4.06Å; L110-P115 WeakPolarHBondContact O-CD 3.25Å; P115-E120 HydrophobicContact CB-CB 4.06Å; P115-E120 HydrophobicContact CB-CG 4Å; P115-A121 HydrophobicContact CB-CB 3.94Å; P115-A121 HydrophobicContact CG-CB 3.64Å; P115-L124 HydrophobicContact CB-CD1 3.94Å; P115-L124 HydrophobicContact CG-CD1 4.29Å
116	E	68.1	Low	69.8	Low	179 Å²	179	70.3 Å²	70.3	84%	0.836	35%	0.35	S	S	*	.	S	Bend	trans	-83.9	-19.5	-175.2	-66.2	-171.4	165.3	0	0	112.7	R114 E120	R114-E116 PolarHBondContact O-N 3.18Å; E116-E120 PolarHBondContact N-OE2 2.91Å
117	S	69.4	Low	70.2	Confident	44 Å²	44	73.6 Å²	73.6	31%	0.308	37%	0.367	S	S	.	.	S	Bend	trans	-129.2	164.2	178	80	0	0	0	0	113.6	E119 E120 A121	S117-E119 VanDerWaalsContact C-N 3.27Å; S117-E119 PolarHBondContact O-N 3.06Å; S117-E119 PolarHBondContact OG-N 3.28Å; S117-E120 PolarHBondContact O-N 2.85Å; S117-E120 WeakPolarHBondContact OG-CB 3.49Å; S117-E120 PolarHBondContact OG-N 3.48Å; S117-E120 VanDerWaalsContact OG-N 3.08Å; S117-A121 PolarHBondContact O-N 3.36Å; S117-A121 VanDerWaalsContact O-N 3.09Å
118	S	62.9	Low	70.4	Confident	20 Å²	20	72.9 Å²	72.9	14%	0.14	37%	0.365	C	S	.	.	H	α-helix	trans	-64	-32.1	172.7	40.8	0	0	0	0	112.5	P90 M98 A122	P90-S118 PolarHBondContact O-OG 3.06Å; M98-S118 WeakPolarHBondContact SD-CB 3.48Å; S118-A122 WeakPolarHBondContact O-CB 3.38Å; S118-A122 PolarHBondContact O-N 3.13Å
119	E	67.4	Low	70.3	Confident	131 Å²	131	72.4 Å²	72.4	61%	0.612	36%	0.357	S	S	*	.	H	α-helix	trans	-70.8	-42.2	178.2	-66.2	164.7	172.9	0	0	111.3	P90 S117 A122 A123	P90-E119 HydrophobicContact CB-CG 4.03Å; S117-E119 VanDerWaalsContact C-N 3.27Å; S117-E119 PolarHBondContact O-N 3.06Å; S117-E119 PolarHBondContact OG-N 3.28Å; E119-A122 PolarHBondContact O-N 2.84Å; E119-A123 PolarHBondContact O-N 3.15Å
120	E	71.9	Confident	69.8	Low	91 Å²	91	73 Å²	73	43%	0.425	36%	0.362	S	S	.	.	H	α-helix	trans	-67.5	-40.2	176.1	-169.8	177.2	-158.1	0	0	111.3	P115 E116 S117 A122 A123 L124	P115-E120 HydrophobicContact CB-CB 4.06Å; P115-E120 HydrophobicContact CB-CG 4Å; E116-E120 PolarHBondContact N-OE2 2.91Å; S117-E120 PolarHBondContact O-N 2.85Å; S117-E120 WeakPolarHBondContact OG-CB 3.49Å; S117-E120 PolarHBondContact OG-N 3.48Å; S117-E120 VanDerWaalsContact OG-N 3.08Å; E120-A122 VanDerWaalsContact C-N 3.31Å; E120-A122 PolarHBondContact O-N 3.12Å; E120-A123 PolarHBondContact O-N 3.39Å; E120-L124 WeakPolarHBondContact O-CG 3.47Å; E120-L124 PolarHBondContact O-N 2.75Å
121	A	67.7	Low	69.6	Low	5 Å²	5	76.2 Å²	76.2	4%	0.041	38%	0.382	C	S	.	.	H	α-helix	trans	-61.1	-39.5	173.2	0	0	0	0	0	112.1	L110 P115 S117 V125	L110-A121 HydrophobicContact CD2-CB 4.2Å; P115-A121 HydrophobicContact CB-CB 3.94Å; P115-A121 HydrophobicContact CG-CB 3.64Å; S117-A121 PolarHBondContact O-N 3.36Å; S117-A121 VanDerWaalsContact O-N 3.09Å; A121-V125 WeakPolarHBondContact O-CG2 3.49Å; A121-V125 PolarHBondContact O-N 2.97Å
122	A	69.4	Low	69.3	Low	15 Å²	15	74.7 Å²	74.7	12%	0.124	38%	0.377	C	S	.	.	H	α-helix	trans	-66.9	-42	176.6	0	0	0	0	0	112.1	P90 M98 S118 E119 E120 V125 E126	P90-A122 HydrophobicContact CG-CB 4.46Å; M98-A122 HydrophobicContact CE-CB 4.3Å; S118-A122 WeakPolarHBondContact O-CB 3.38Å; S118-A122 PolarHBondContact O-N 3.13Å; E119-A122 PolarHBondContact O-N 2.84Å; E120-A122 VanDerWaalsContact C-N 3.31Å; E120-A122 PolarHBondContact O-N 3.12Å; A122-V125 PolarHBondContact O-N 3.31Å; A122-E126 PolarHBondContact O-N 3.3Å
123	A	73.9	Confident	68.6	Low	59 Å²	59	73.6 Å²	73.6	49%	0.488	37%	0.366	S	S	.	.	H	α-helix	trans	-63.2	-43.1	177.8	0	0	0	0	0	112.2	E119 E120 V125 E126 D127	E119-A123 PolarHBondContact O-N 3.15Å; E120-A123 PolarHBondContact O-N 3.39Å; A123-V125 VanDerWaalsContact C-N 3.33Å; A123-V125 PolarHBondContact O-N 3.16Å; A123-E126 PolarHBondContact O-N 3.45Å; A123-D127 PolarHBondContact O-N 3Å
124	L	74.4	Confident	67.6	Low	42 Å²	42	73.6 Å²	73.6	22%	0.22	37%	0.37	C	S	.	.	H	α-helix	trans	-62.8	-37.1	177.3	-71.8	173.1	0	0	0	112.6	W109 L110 H113 P115 E120 D127 L128	W109-L124 HydrophobicContact CH2-CB 4.01Å; W109-L124 HydrophobicContact CH2-CD2 4.48Å; W109-L124 WeakPolarHBondContact CH2-O 3.47Å; W109-L124 HydrophobicContact CZ3-CB 3.83Å; W109-L124 WeakPolarHBondContact CZ3-O 3.38Å; L110-L124 HydrophobicContact CD2-CB 4.16Å; L110-L124 HydrophobicContact CD2-CD1 4.38Å; H113-L124 HydrophobicContact CB-CD1 4.06Å; P115-L124 HydrophobicContact CB-CD1 3.94Å; P115-L124 HydrophobicContact CG-CD1 4.29Å; E120-L124 WeakPolarHBondContact O-CG 3.47Å; E120-L124 PolarHBondContact O-N 2.75Å; L124-D127 PolarHBondContact O-N 3.48Å; L124-L128 PolarHBondContact O-N 3.47Å
125	V	71.4	Confident	66.6	Low	6 Å²	6	67 Å²	67	4%	0.036	35%	0.354	C	S	.	.	H	α-helix	trans	-69.9	-37	175.7	174.3	0	0	0	0	111.8	I106 L110 A121 A122 A123 T129	I106-V125 HydrophobicContact CG2-CG2 4.02Å; L110-V125 HydrophobicContact CD1-CG2 3.61Å; L110-V125 HydrophobicContact CD2-CG2 4.07Å; L110-V125 HydrophobicContact CG-CG2 4.06Å; A121-V125 WeakPolarHBondContact O-CG2 3.49Å; A121-V125 PolarHBondContact O-N 2.97Å; A122-V125 PolarHBondContact O-N 3.31Å; A123-V125 VanDerWaalsContact C-N 3.33Å; A123-V125 PolarHBondContact O-N 3.16Å; V125-T129 PolarHBondContact O-N 3.41Å; V125-T129 PolarHBondContact O-OG1 2.95Å
126	E	72.4	Confident	65.4	Low	106 Å²	106	71.2 Å²	71.2	50%	0.495	38%	0.377	S	S	.	.	H	α-helix	trans	-66.8	-37.9	175	-71.9	-158.5	146.6	0	0	112	R85 A122 A123 T129 Q130	R85-E126 IonicContact NE-OE1 3.08Å; A122-E126 PolarHBondContact O-N 3.3Å; A123-E126 PolarHBondContact O-N 3.45Å; E126-T129 PolarHBondContact O-N 3.08Å; E126-Q130 PolarHBondContact O-N 3.45Å
127	D	75.4	Confident	64	Low	99 Å²	99	71.8 Å²	71.8	53%	0.529	38%	0.377	S	S	.	.	H	α-helix	trans	-67.2	-42	175.5	-168.4	57	0	0	0	112.4	A123 L124 T129 Q130 T131	A123-D127 PolarHBondContact O-N 3Å; L124-D127 PolarHBondContact O-N 3.48Å; D127-T129 VanDerWaalsContact C-N 3.27Å; D127-T129 PolarHBondContact O-N 3.07Å; D127-Q130 PolarHBondContact O-N 3.17Å; D127-Q130 VanDerWaalsContact O-N 3.1Å; D127-T131 PolarHBondContact O-N 3.44Å; D127-T131 PolarHBondContact O-OG1 3.41Å
128	L	69.6	Low	62.4	Low	38 Å²	38	78 Å²	78	20%	0.199	40%	0.401	C	S	.	.	H	α-helix	trans	-60	-38.2	171.8	-176.5	66	0	0	0	112	W109 L124 Q130 T131 L132	W109-L128 HydrophobicContact CD2-CD2 3.89Å; W109-L128 HydrophobicContact CE3-CD2 3.91Å; W109-L128 HydrophobicContact CG-CD2 4.32Å; W109-L128 HydrophobicContact CH2-CB 4.04Å; W109-L128 HydrophobicContact CZ2-CB 4.34Å; W109-L128 HydrophobicContact CZ2-CD1 4.14Å; W109-L128 HydrophobicContact CZ3-CB 4.21Å; W109-L128 HydrophobicContact CZ3-CD2 4.27Å; L124-L128 PolarHBondContact O-N 3.47Å; L128-Q130 VanDerWaalsContact C-N 3.28Å; L128-Q130 PolarHBondContact O-N 2.79Å; L128-T131 VanDerWaalsContact CA-OG1 3.29Å; L128-T131 WeakPolarHBondContact CA-OG1 3.46Å; L128-T131 PolarHBondContact O-OG1 3.44Å; L128-L132 HydrophobicContact CG-CD1 4.43Å; L128-L132 VanDerWaalsContact O-CG 3.31Å; L128-L132 WeakPolarHBondContact O-CG 3.33Å; L128-L132 PolarHBondContact O-N 2.6Å; L128-L132 VanDerWaalsContact O-N 3.13Å
129	T	66.3	Low	61.2	Low	46 Å²	46	83.6 Å²	83.6	28%	0.282	43%	0.428	S	S	.	.	H	α-helix	trans	-69.9	-29.4	177.6	-51.1	0	0	0	0	111.8	V125 E126 D127 R133	V125-T129 PolarHBondContact O-N 3.41Å; V125-T129 PolarHBondContact O-OG1 2.95Å; E126-T129 PolarHBondContact O-N 3.08Å; D127-T129 VanDerWaalsContact C-N 3.27Å; D127-T129 PolarHBondContact O-N 3.07Å; T129-R133 PolarHBondContact O-N 3.33Å
130	Q	64.1	Low	59.6	Low	72 Å²	72	86.5 Å²	86.5	34%	0.336	44%	0.442	S	S	.	.	H	α-helix	trans	-79	-39	178.3	-173.2	57.8	44.3	0	0	111.7	E126 D127 L128 R133 D134	E126-Q130 PolarHBondContact O-N 3.45Å; D127-Q130 PolarHBondContact O-N 3.17Å; D127-Q130 VanDerWaalsContact O-N 3.1Å; L128-Q130 VanDerWaalsContact C-N 3.28Å; L128-Q130 PolarHBondContact O-N 2.79Å; Q130-R133 WeakPolarHBondContact O-CB 3.36Å; Q130-R133 PolarHBondContact O-N 3.2Å; Q130-D134 PolarHBondContact O-N 3.03Å
131	T	64.1	Low	57.9	Low	72 Å²	72	87.2 Å²	87.2	44%	0.442	46%	0.457	S	S	.	.	H	α-helix	trans	-65.4	-38.6	173.9	43	0	0	0	0	112.5	D127 L128 R133 D134 S135	D127-T131 PolarHBondContact O-N 3.44Å; D127-T131 PolarHBondContact O-OG1 3.41Å; L128-T131 VanDerWaalsContact CA-OG1 3.29Å; L128-T131 WeakPolarHBondContact CA-OG1 3.46Å; L128-T131 PolarHBondContact O-OG1 3.44Å; T131-R133 VanDerWaalsContact C-N 3.26Å; T131-R133 PolarHBondContact O-N 3.06Å; T131-D134 PolarHBondContact O-N 3.19Å; T131-S135 PolarHBondContact O-N 3.49Å; T131-S135 VanDerWaalsContact O-N 3.14Å; T131-S135 PolarHBondContact O-OG 2.7Å
132	L	61.9	Low	56.3	Low	83 Å²	83	95.3 Å²	95.3	44%	0.435	49%	0.494	S	S	.	.	H	α-helix	trans	-64.4	-28.6	172.5	-71.9	170.6	0	0	0	113.3	L128 S135 D136	L128-L132 HydrophobicContact CG-CD1 4.43Å; L128-L132 VanDerWaalsContact O-CG 3.31Å; L128-L132 WeakPolarHBondContact O-CG 3.33Å; L128-L132 PolarHBondContact O-N 2.6Å; L128-L132 VanDerWaalsContact O-N 3.13Å; L132-S135 WeakPolarHBondContact CA-OG 3.36Å; L132-S135 PolarHBondContact O-OG 3.14Å; L132-D136 PolarHBondContact O-N 3.28Å
133	R	58.5	Low	54.4	Low	134 Å²	134	102 Å²	102	51%	0.506	53%	0.527	S	S	.	.	H	α-helix	trans	-69.9	-36	175.2	172.5	-172	-80.4	-141.2	-9.9	111.6	T129 Q130 T131	T129-R133 PolarHBondContact O-N 3.33Å; Q130-R133 WeakPolarHBondContact O-CB 3.36Å; Q130-R133 PolarHBondContact O-N 3.2Å; T131-R133 VanDerWaalsContact C-N 3.26Å; T131-R133 PolarHBondContact O-N 3.06Å
134	D	48.4	Very low	52.2	Low	97 Å²	97	102.7 Å²	102.7	52%	0.519	54%	0.54	S	S	.	.	H	α-helix	trans	-80.9	-28.4	-176.4	-62.1	-22.6	0	0	0	111.2	Q130 T131 D136	Q130-D134 PolarHBondContact O-N 3.03Å; T131-D134 PolarHBondContact O-N 3.19Å; D134-D136 VanDerWaalsContact C-N 3.35Å
135	S	51.8	Low	50.1	Low	65 Å²	65	110 Å²	110	46%	0.455	57%	0.573	S	S	.	*	H	α-helix	trans	-72.2	-22.4	171.6	59.3	0	0	0	0	114.5	T131 L132 F137	T131-S135 PolarHBondContact O-N 3.49Å; T131-S135 VanDerWaalsContact O-N 3.14Å; T131-S135 PolarHBondContact O-OG 2.7Å; L132-S135 WeakPolarHBondContact CA-OG 3.36Å; L132-S135 PolarHBondContact O-OG 3.14Å; S135-F137 VanDerWaalsContact C-N 3.33Å
136	D	45.4	Very low	48.2	Very low	92 Å²	92	117.4 Å²	117.4	49%	0.492	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.5	-5.6	178.7	-81.3	-11	0	0	0	113.3	L132 D134	L132-D136 PolarHBondContact O-N 3.28Å; D134-D136 VanDerWaalsContact C-N 3.35Å
137	F	37.1	Very low	46	Very low	190 Å²	190	117.6 Å²	117.6	83%	0.833	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-10.3	-179.2	-146	-95.4	0	0	0	113.8	S135	S135-F137 VanDerWaalsContact C-N 3.33Å
138	E	36.6	Very low	43.6	Very low	174 Å²	174	119.2 Å²	119.2	81%	0.813	63%	0.633	S	S	*	*	S	Bend	trans	-95.5	2	-178.9	-72.4	-163.6	159.2	0	0	114.9
139	I	37.8	Very low	41.6	Very low	138 Å²	138	125.4 Å²	125.4	71%	0.708	66%	0.661	S	S	*	*	S	Bend	trans	-121.3	73.3	176.6	-47.6	178.7	0	0	0	110.1
140	Q	33	Very low	39.7	Very low	193 Å²	193	129.6 Å²	129.6	90%	0.902	68%	0.682	S	S	*	*			trans	178.6	66.7	152.1	-98.8	160.5	44.5	0	0	110.6
141	S	37.1	Very low	38	Very low	106 Å²	106	134 Å²	134	74%	0.741	70%	0.704	S	S	*	*			trans	-119.8	73.5	160.8	59.4	0	0	0	0	108.5
142	E	34.3	Very low	36.2	Very low	175 Å²	175	139.4 Å²	139.4	82%	0.818	72%	0.722	S	S	*	*			trans	-172	130.1	159.4	-106.5	162.8	-153.9	0	0	110.4
143	N	28.4	Very low	34.6	Very low	155 Å²	155	144 Å²	144	83%	0.829	74%	0.741	S	S	*	*			trans	87.2	98.1	164.2	-51.8	-32.9	0	0	0	119.2
144	G	28.6	Very low	33.1	Very low	73 Å²	73	144.8 Å²	144.8	75%	0.753	76%	0.755	S	S	*	*				77.4	116.6	109.1	0	0	0	0	0	119.9
145	E	30	Very low	32.1	Very low	195 Å²	195	149.3 Å²	149.3	91%	0.911	77%	0.773	S	S	*	*			trans	80.1	93.3	147.9	-56.4	-173.8	146.7	0	0	119.8
146	N	32.1	Very low	31.1	Very low	163 Å²	163	151.5 Å²	151.5	87%	0.872	79%	0.789	S	S	*	*				43.8	111.6	128.8	-150.6	13.4	0	0	0	120.7
147	C	25	Very low	30.5	Very low	110 Å²	110	154.3 Å²	154.3	74%	0.743	79%	0.792	S	S	*	*			trans	-162	111.4	144.7	-167.3	0	0	0	0	112.6
148	N	26.1	Very low	30	Very low	132 Å²	132	153.7 Å²	153.7	71%	0.706	79%	0.792	S	S	*	*			trans	47.3	113.4	147.9	-64	-49.3	0	0	0	121.8
149	Q	27.1	Very low	29.5	Very low	169 Å²	169	153.3 Å²	153.3	79%	0.79	79%	0.794	S	S	*	*			trans	-150.9	74.3	144.6	-168.3	82.8	25.3	0	0	110.5
150	D	26.1	Very low	28.9	Very low	133 Å²	133	156.7 Å²	156.7	71%	0.711	80%	0.804	S	S	*	*			trans	-94.8	105	166.2	-87.6	-29.8	0	0	0	110.7	F152	D150-F152 HydrophobicContact CB-CD2 4.27Å; D150-F152 HydrophobicContact CB-CE2 3.94Å
151	M	27.8	Very low	28.6	Very low	166 Å²	166	152.9 Å²	152.9	82%	0.818	80%	0.799	S	S	*	*			trans	-88.4	104.7	157	-75.6	-168.5	60	0	0	108.1	E153	M151-E153 PolarHBondContact O-N 3.46Å; M151-E153 VanDerWaalsContact O-N 3.15Å
152	F	26.9	Very low	28.1	Very low	185 Å²	185	156.9 Å²	156.9	81%	0.811	81%	0.806	S	S	*	*			trans	-71.6	106.3	176.8	-82	-85.9	0	0	0	111.8	D150	D150-F152 HydrophobicContact CB-CD2 4.27Å; D150-F152 HydrophobicContact CB-CE2 3.94Å
153	E	28.6	Very low	27.6	Very low	178 Å²	178	157.1 Å²	157.1	83%	0.832	81%	0.809	S	S	*	*			trans	-94.2	134.4	147	-75.1	-171.9	157.7	0	0	108.6	M151	M151-E153 PolarHBondContact O-N 3.46Å; M151-E153 VanDerWaalsContact O-N 3.15Å
154	N	27.5	Very low	27.7	Very low	151 Å²	151	155.4 Å²	155.4	81%	0.807	81%	0.806	S	S	*	*			trans	95	73.6	153.6	-141.2	35.3	0	0	0	119.3
155	E	26.3	Very low	27.7	Very low	192 Å²	192	161.5 Å²	161.5	90%	0.897	82%	0.815	S	S	*	*			trans	-106.2	96.7	148.5	-85.1	-172.7	150.1	0	0	109.9
156	S	30.8	Very low	27.4	Very low	111 Å²	111	155.6 Å²	155.6	78%	0.776	81%	0.807	S	S	*	*			trans	-150.6	69.7	160.1	-74.5	0	0	0	0	108.1
157	R	33.2	Very low	27	Very low	151 Å²	151	157.5 Å²	157.5	57%	0.57	81%	0.811	S	S	*	*			trans	-160.4	145.5	163.4	-112.2	164.4	165.5	178.9	-21.4	107.9	D282 C283 H300	R157-D282 PolarHBondContact NH2-O 3.1Å; R157-C283 VanDerWaalsContact NH2-CA 3.33Å; R157-H300 PolarHBondContact NH1-CE1 2.83Å; R157-H300 PolarHBondContact NH1-ND1 3.45Å; R157-H300 VanDerWaalsContact NH1-ND1 3.18Å
158	E	26.9	Very low	27	Very low	178 Å²	178	157.8 Å²	157.8	83%	0.832	81%	0.814	S	S	*	*			trans	86	88.4	-171.2	-49.9	-69.6	137.3	0	0	113.7
159	I	26.2	Very low	26.9	Very low	166 Å²	166	156.6 Å²	156.6	85%	0.851	82%	0.822	S	S	*	*				-172.9	91	129.9	-80.1	148.5	0	0	0	104.6
160	F	25.8	Very low	26.8	Very low	208 Å²	208	157.2 Å²	157.2	91%	0.912	83%	0.825	S	S	*	*			trans	-147.4	101.5	154.6	-106.2	-78.5	0	0	0	106.8
161	S	26.1	Very low	26.8	Very low	113 Å²	113	159 Å²	159	79%	0.79	83%	0.828	S	S	*	*			trans	-144.7	133.5	153.4	-74.4	0	0	0	0	106.6
162	E	25.7	Very low	26.8	Very low	190 Å²	190	154.9 Å²	154.9	89%	0.888	82%	0.816	S	S	*	*			trans	82.9	100.7	169.7	-54.1	-173.9	165.3	0	0	118.5
163	M	24.5	Very low	26.6	Very low	180 Å²	180	153.6 Å²	153.6	89%	0.887	82%	0.818	S	S	*	*			trans	-138.9	147.1	139.3	-80.8	-161.8	66.3	0	0	109.3
164	P	31.1	Very low	26.5	Very low	120 Å²	120	155 Å²	155	78%	0.779	82%	0.816	S	S	*	*			trans	-90.5	163.5	-165.5	36.4	-34.2	0	0	0	114.1
165	E	27.2	Very low	26.4	Very low	200 Å²	200	156.5 Å²	156.5	94%	0.935	82%	0.818	S	S	*	*			trans	-63.7	148.9	174.5	-59.9	177.9	152.5	0	0	112.8
166	G	24.3	Very low	26.4	Very low	71 Å²	71	152.9 Å²	152.9	73%	0.732	81%	0.814	S	S	*	*			trans	166.3	83.4	171.2	0	0	0	0	0	115.7
167	E	24.8	Very low	26.2	Very low	204 Å²	204	153.1 Å²	153.1	95%	0.953	81%	0.806	S	S	*	*			trans	66.8	139.1	145.4	-60.4	-174.9	165.1	0	0	122.8
168	S	23.6	Very low	25.7	Very low	116 Å²	116	156.3 Å²	156.3	81%	0.811	82%	0.824	S	S	*	*			trans	-90.8	142.4	-164.8	47.7	0	0	0	0	114.7
169	A	25	Very low	25.6	Very low	106 Å²	106	156.5 Å²	156.5	88%	0.876	83%	0.825	S	S	*	*			trans	-151.4	122.9	145.5	0	0	0	0	0	109.9
170	Q	25.2	Very low	25.6	Very low	182 Å²	182	160.3 Å²	160.3	85%	0.85	83%	0.829	S	S	*	*			trans	-97.9	150.8	178.6	-70.5	178.2	-35.1	0	0	111.7
171	H	26.2	Very low	25.5	Very low	170 Å²	170	157.2 Å²	157.2	79%	0.787	82%	0.822	S	S	*	*			trans	136.2	110.5	151.6	-89.5	-79.4	0	0	0	109.3
172	S	27.5	Very low	25.5	Very low	80 Å²	80	159 Å²	159	56%	0.559	82%	0.823	S	S	*	*			cis	82.9	129.7	42.5	87.6	0	0	0	0	114.2
173	D	22.8	Very low	25.3	Very low	159 Å²	159	152.7 Å²	152.7	85%	0.85	81%	0.809	S	S	*	*			trans	-151.7	111.7	145.8	-75.5	-42.5	0	0	0	105.7
174	R	26.9	Very low	25.4	Very low	208 Å²	208	151 Å²	151	79%	0.785	81%	0.808	S	S	*	*				61.4	134.5	71.9	-89.3	-175.1	163.4	155.6	-5.7	113.5
175	E	24.4	Very low	25.1	Very low	182 Å²	182	154 Å²	154	85%	0.85	81%	0.812	S	S	*	*				-143.2	156.4	65.1	-67.8	177.2	149.8	0	0	111.9
176	S	27.1	Very low	25	Very low	116 Å²	116	156 Å²	156	81%	0.811	81%	0.811	S	S	*	*				-153.9	148.1	56.1	57.2	0	0	0	0	115.1
177	D	25.5	Very low	25	Very low	116 Å²	116	156.4 Å²	156.4	62%	0.62	81%	0.807	S	S	*	*			trans	-76.1	152.5	-173.1	-62.9	-48.7	0	0	0	117
178	F	22.7	Very low	25.1	Very low	217 Å²	217	155.7 Å²	155.7	95%	0.952	80%	0.804	S	S	*	*				-169.3	132	117.8	-112.6	-82.4	0	0	0	110.2
179	E	25.9	Very low	25	Very low	182 Å²	182	153.2 Å²	153.2	85%	0.85	80%	0.797	S	S	*	*			trans	-86.6	149.8	-177.5	-57.4	-165.4	137.7	0	0	113.8
180	R	26.1	Very low	25.1	Very low	247 Å²	247	157.6 Å²	157.6	93%	0.932	80%	0.799	S	S	*	*				-177.4	147	111.3	-132.2	174.3	-166.2	165.5	4.5	114
181	D	23.2	Very low	25.1	Very low	143 Å²	143	155.2 Å²	155.2	77%	0.765	80%	0.797	S	S	*	*			trans	-49.9	144.8	176.7	-140.8	5.1	0	0	0	117.5
182	D	25.8	Very low	25.5	Very low	150 Å²	150	153.1 Å²	153.1	80%	0.802	80%	0.798	S	S	*	*				174.5	150.8	99	-142.2	-60.8	0	0	0	110.1
183	G	22.5	Very low	25.3	Very low	58 Å²	58	152.7 Å²	152.7	60%	0.598	81%	0.806	S	S	*	*			trans	-81.8	173.2	-164	0	0	0	0	0	116.4
184	V	26.7	Very low	25.4	Very low	145 Å²	145	154.7 Å²	154.7	88%	0.879	81%	0.811	S	S	*	*				176.5	137.1	118.1	156.5	0	0	0	0	109.4
185	Q	24.7	Very low	25.3	Very low	182 Å²	182	151.4 Å²	151.4	85%	0.85	81%	0.808	S	S	*	*			trans	-59.2	143.2	179.1	-57.6	159.6	-17.1	0	0	113
186	R	25.2	Very low	25.6	Very low	242 Å²	242	152 Å²	152	91%	0.913	81%	0.811	S	S	*	*				-163.5	126.1	123.6	-149.3	163	-176.1	152.6	0.7	112.8
187	A	22.9	Very low	25.5	Very low	80 Å²	80	149.4 Å²	149.4	66%	0.661	80%	0.802	S	S	*	*			trans	-89.1	176	167.8	0	0	0	0	0	111.4
188	Q	26.6	Very low	25.4	Very low	189 Å²	189	153 Å²	153	88%	0.883	82%	0.815	S	S	*	*			trans	91.9	118.1	175.5	-53.7	175.1	-0.9	0	0	112.1
189	G	23.3	Very low	25.5	Very low	64 Å²	64	148.7 Å²	148.7	66%	0.66	81%	0.807	S	S	*	*			cis	116.8	113.8	24.7	0	0	0	0	0	107.6
190	H	25.5	Very low	25.4	Very low	198 Å²	198	148 Å²	148	92%	0.917	81%	0.808	S	S	*	*			trans	177.2	143.5	139.6	-89.5	155.1	0	0	0	111.2
191	T	25.4	Very low	25.4	Very low	132 Å²	132	141 Å²	141	81%	0.81	80%	0.797	S	S	*	*			trans	-94.6	-158.5	-175.5	48.9	0	0	0	0	109.8
192	P	34.4	Very low	25.6	Very low	126 Å²	126	143.4 Å²	143.4	82%	0.818	80%	0.804	S	S	*	*				-123.4	178.4	-98.7	37.4	-17.2	0	0	0	112.8
193	G	24.4	Very low	25.6	Very low	70 Å²	70	144 Å²	144	72%	0.722	81%	0.807	S	S	*	*			trans	146.7	142.6	164.3	0	0	0	0	0	110.1
194	E	25.4	Very low	25.9	Very low	202 Å²	202	152.5 Å²	152.5	94%	0.944	82%	0.821	S	S	*	*			cis	-160	166.4	3	-110.8	170.6	170.1	0	0	107.3
195	D	24.4	Very low	26.1	Very low	138 Å²	138	154.8 Å²	154.8	74%	0.738	82%	0.822	S	S	*	*			trans	-56.8	145.2	-175.4	-158.4	5	0	0	0	115.3
196	H	30.8	Very low	26.2	Very low	194 Å²	194	152.3 Å²	152.3	90%	0.898	82%	0.819	S	S	*	*			trans	-158.8	98.7	143.6	-101.8	-62	0	0	0	108.6
197	G	24.1	Very low	26.5	Very low	62 Å²	62	143.7 Å²	143.7	64%	0.639	81%	0.806	S	S	*	*			trans	-77.8	137.8	159.7	0	0	0	0	0	111
198	E	24.1	Very low	26.8	Very low	191 Å²	191	148.9 Å²	148.9	89%	0.893	82%	0.816	S	S	*	*			trans	-143.3	119.7	151.7	-115	179.9	-179.1	0	0	109.6
199	V	24.4	Very low	27	Very low	127 Å²	127	147.8 Å²	147.8	77%	0.77	82%	0.816	S	S	*	*			trans	-83	121.9	175.5	170.9	0	0	0	0	107.2
200	L	24.5	Very low	27.4	Very low	169 Å²	169	153.1 Å²	153.1	89%	0.885	83%	0.827	S	S	*	*			trans	-120	101.5	161.7	-74.5	177.6	0	0	0	109.5
201	S	25.8	Very low	27.5	Very low	100 Å²	100	146.2 Å²	146.2	70%	0.699	81%	0.809	S	S	*	*			trans	-63.7	126.9	161.6	-49	0	0	0	0	109.4
202	Q	26.6	Very low	27.8	Very low	193 Å²	193	148.2 Å²	148.2	90%	0.902	81%	0.814	S	S	*	*			trans	-143.9	106.9	156.4	-107.1	173.9	3.9	0	0	108.9
203	D	26.6	Very low	28	Very low	162 Å²	162	152.2 Å²	152.2	87%	0.866	82%	0.822	S	S	*	*			trans	-52.4	130.7	163.2	-67.2	-55.4	0	0	0	110.3
204	R	29.3	Very low	28.2	Very low	237 Å²	237	151.4 Å²	151.4	89%	0.894	81%	0.813	S	S	*	*			trans	-141.1	102.1	158	-113.5	-177	-179.7	178.5	0.9	108.9	V206	R204-V206 PolarHBondContact O-N 3.04Å
205	E	29.1	Very low	28.7	Very low	192 Å²	192	147.8 Å²	147.8	90%	0.897	81%	0.806	S	S	*	*			trans	-50.7	127.4	153.9	-66.3	176.4	139.8	0	0	109.2
206	V	28	Very low	29.2	Very low	130 Å²	130	152.4 Å²	152.4	79%	0.788	81%	0.814	S	S	*	*			trans	-141.8	99.8	155.2	-172.5	0	0	0	0	108.1	R204	R204-V206 PolarHBondContact O-N 3.04Å
207	G	30.6	Very low	29.9	Very low	62 Å²	62	150.5 Å²	150.5	64%	0.639	81%	0.81	S	S	*	*			trans	-64.5	143.4	160.4	0	0	0	0	0	111.4
208	Q	30.1	Very low	31.1	Very low	189 Å²	189	150 Å²	150	88%	0.883	80%	0.804	S	S	*	*			trans	46.9	105.6	135.1	-157.2	168.5	13.4	0	0	117.9
209	L	29.4	Very low	32.5	Very low	166 Å²	166	148.4 Å²	148.4	87%	0.869	80%	0.797	S	S	*	*			trans	-160.7	100.1	145.6	-100	166.3	0	0	0	109.5
210	I	32.6	Very low	34.6	Very low	176 Å²	176	148 Å²	148	90%	0.903	79%	0.785	S	S	*	*			trans	-111	116.2	151.5	-64.3	177.8	0	0	0	105.5
211	G	28.2	Very low	36.9	Very low	52 Å²	52	144 Å²	144	54%	0.536	77%	0.769	S	S	.	*			trans	165.4	117.5	172.1	0	0	0	0	0	111.4
212	L	30.7	Very low	39.3	Very low	174 Å²	174	143.5 Å²	143.5	91%	0.911	75%	0.753	S	S	*	*			trans	89.2	113.9	165.2	-50	172.9	0	0	0	116.7	G214	L212-G214 PolarHBondContact O-N 3.36Å
213	Q	39.7	Very low	41.7	Very low	210 Å²	210	140 Å²	140	98%	0.981	74%	0.736	S	S	*	*			trans	-46.7	110.2	150.8	-76	165.6	-44.6	0	0	108.6
214	G	28.8	Very low	44.3	Very low	53 Å²	53	132.2 Å²	132.2	55%	0.546	70%	0.695	S	S	.	*			trans	-149.3	112.2	175.2	0	0	0	0	0	107.6	L212 Y216	L212-G214 PolarHBondContact O-N 3.36Å; G214-Y216 PolarHBondContact O-N 3.14Å; G214-Y216 VanDerWaalsContact O-N 3.13Å
215	T	35.1	Very low	46.3	Very low	127 Å²	127	126 Å²	126	78%	0.779	69%	0.685	S	S	*	*			trans	-50.1	110.2	177.4	46.4	0	0	0	0	112	L217	T215-L217 VanDerWaalsContact C-N 3.28Å; T215-L217 PolarHBondContact O-N 3.41Å
216	Y	33.8	Very low	48.3	Very low	235 Å²	235	124.1 Å²	124.1	92%	0.922	68%	0.676	S	S	*	*			trans	-69.6	96.3	152.1	-74.7	-89.1	0	0	0	106.6	G214 G218	G214-Y216 PolarHBondContact O-N 3.14Å; G214-Y216 VanDerWaalsContact O-N 3.13Å; Y216-G218 PolarHBondContact O-N 3.01Å
217	L	46.9	Very low	50.8	Low	153 Å²	153	120.3 Å²	120.3	80%	0.801	66%	0.655	S	S	*	*			trans	-63.1	73.2	164.5	-93.6	151	0	0	0	108.6	T215 E219	T215-L217 VanDerWaalsContact C-N 3.28Å; T215-L217 PolarHBondContact O-N 3.41Å; L217-E219 PolarHBondContact O-N 3.42Å
218	G	49.4	Very low	52.9	Low	51 Å²	51	119.3 Å²	119.3	53%	0.526	64%	0.644	S	S	.	*			trans	-72.6	108.5	149.6	0	0	0	0	0	105.3	Y216 K220	Y216-G218 PolarHBondContact O-N 3.01Å; G218-K220 PolarHBondContact O-N 3.28Å
219	E	52.8	Low	55.3	Low	159 Å²	159	116 Å²	116	74%	0.743	63%	0.627	S	S	*	*			trans	-47.1	129.4	172.8	-63.9	-175.6	164.3	0	0	108.1	L217 P221	L217-E219 PolarHBondContact O-N 3.42Å; E219-P221 VanDerWaalsContact C-CD 3.42Å; E219-P221 HydrophobicContact CB-CG 4.17Å; E219-P221 VanDerWaalsContact O-CD 3.28Å; E219-P221 WeakPolarHBondContact O-CD 2.84Å
220	K	69.3	Low	57.4	Low	117 Å²	117	110.9 Å²	110.9	51%	0.509	60%	0.603	S	S	.	*			trans	-112.7	74.5	175.5	-69.5	179.5	176.5	-178.3	0	107.3	G218 Y222 T230 F231	G218-K220 PolarHBondContact O-N 3.28Å; K220-Y222 PolarHBondContact O-N 3.22Å; K220-Y222 VanDerWaalsContact O-N 3.12Å; K220-T230 WeakPolarHBondContact CD-OG1 3.19Å; K220-F231 CarbonylContact C-O 3.58Å; K220-F231 WeakPolarHBondContact CA-O 2.9Å
221	P	72.9	Confident	59.8	Low	85 Å²	85	104.3 Å²	104.3	55%	0.552	57%	0.568	S	S	*	*			trans	-73.5	-8.8	-166.3	-13.2	31.9	0	0	0	112.4	E219	E219-P221 VanDerWaalsContact C-CD 3.42Å; E219-P221 HydrophobicContact CB-CG 4.17Å; E219-P221 VanDerWaalsContact O-CD 3.28Å; E219-P221 WeakPolarHBondContact O-CD 2.84Å
222	Y	74.9	Confident	62.4	Low	91 Å²	91	105.1 Å²	105.1	36%	0.357	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.2	97.2	-173.2	-55.5	-69.8	0	0	0	109.7	K220 T230 F231 K234	K220-Y222 PolarHBondContact O-N 3.22Å; K220-Y222 VanDerWaalsContact O-N 3.12Å; Y222-T230 CarbonylContact O-C 3.52Å; Y222-T230 WeakPolarHBondContact O-CA 2.92Å; Y222-F231 PolarHBondContact N-O 3.47Å; Y222-F231 PolarHBondContact O-N 3.3Å; Y222-K234 HydrophobicContact CD1-CB 3.95Å; Y222-K234 HydrophobicContact CD1-CG 4.11Å; Y222-K234 HydrophobicContact CD2-CB 4.28Å; Y222-K234 VanDerWaalsContact CD2-N 3.32Å; Y222-K234 HydrophobicContact CE1-CB 3.79Å; Y222-K234 HydrophobicContact CE1-CD 4.21Å; Y222-K234 HydrophobicContact CE1-CG 4.1Å; Y222-K234 HydrophobicContact CE2-CB 4.11Å; Y222-K234 HydrophobicContact CG-CB 4.19Å
223	E	78.3	Confident	64.6	Low	118 Å²	118	104.2 Å²	104.2	55%	0.551	55%	0.55	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	136.4	177.2	-171.7	176	164.8	0	0	111.3	P225 T230	E223-P225 WeakPolarHBondContact O-CD 3.48Å; E223-T230 HydrophobicContact CB-CG2 4.04Å; E223-T230 HydrophobicContact CG-CG2 3.96Å
224	C	80.9	Confident	66.4	Low	0 Å²	0	100.4 Å²	100.4	0%	0	53%	0.53	C	S	.	.			trans	-79.4	115.8	173.6	-178.5	0	0	0	0	110.5	Q226 C227 G228 K229 F231 L237	C224-Q226 PolarHBondContact O-N 2.76Å; C224-Q226 VanDerWaalsContact O-N 3.11Å; C224-C227 PolarHBondContact O-N 3.27Å; C224-C227 VanDerWaalsContact SG-SG 3.66Å; C224-G228 WeakPolarHBondContact O-CA 3.29Å; C224-G228 PolarHBondContact O-N 3.4Å; C224-K229 PolarHBondContact N-O 2.84Å; C224-F231 HydrophobicContact CB-CE2 4.18Å; C224-L237 VanDerWaalsContact CA-CD1 3.5Å; C224-L237 HydrophobicContact CB-CD1 3.51Å
225	P	71.7	Confident	68.5	Low	107 Å²	107	101 Å²	101	70%	0.695	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.6	-176	24.4	-31.9	0	0	0	113.7	E223 E241	E223-P225 WeakPolarHBondContact O-CD 3.48Å; P225-E241 WeakPolarHBondContact CD-OE1 3.48Å
226	Q	71	Confident	70.5	Confident	151 Å²	151	99 Å²	99	71%	0.706	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-22.2	-179.4	-65.3	-66.3	-21.7	0	0	113.9	C224	C224-Q226 PolarHBondContact O-N 2.76Å; C224-Q226 VanDerWaalsContact O-N 3.11Å
227	C	79.9	Confident	72.5	Confident	51 Å²	51	88.6 Å²	88.6	35%	0.345	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.4	6.1	-174.9	71.5	0	0	0	0	115.3	C224 K229 H240 H244	C224-C227 PolarHBondContact O-N 3.27Å; C224-C227 VanDerWaalsContact SG-SG 3.66Å; C227-K229 PolarHBondContact O-N 3.02Å; C227-K229 VanDerWaalsContact O-N 3.11Å; C227-H240 PolarHBondContact SG-NE2 3.49Å; C227-H244 PolarHBondContact SG-NE2 3.15Å
228	G	74.6	Confident	73.8	Confident	40 Å²	40	84.4 Å²	84.4	41%	0.412	45%	0.445	S	S	.	.			trans	66.9	7.9	177.2	0	0	0	0	0	115.2	C224 T230	C224-G228 WeakPolarHBondContact O-CA 3.29Å; C224-G228 PolarHBondContact O-N 3.4Å; G228-T230 PolarHBondContact O-N 3.33Å
229	K	79.6	Confident	74.9	Confident	119 Å²	119	83.9 Å²	83.9	52%	0.517	43%	0.432	S	S	.	.			trans	-74	128	179.6	-73.2	179	-177.2	170.6	0	110.3	C224 C227 F231	C224-K229 PolarHBondContact N-O 2.84Å; C227-K229 PolarHBondContact O-N 3.02Å; C227-K229 VanDerWaalsContact O-N 3.11Å; K229-F231 HydrophobicContact CB-CE2 3.7Å; K229-F231 HydrophobicContact CB-CZ 3.83Å; K229-F231 WeakPolarHBondContact O-CD2 3.29Å; K229-F231 WeakPolarHBondContact O-CE2 3.5Å
230	T	75	Confident	75.9	Confident	59 Å²	59	77.5 Å²	77.5	36%	0.362	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	139.2	178.9	59.2	0	0	0	0	111.6	K220 Y222 E223 G228	K220-T230 WeakPolarHBondContact CD-OG1 3.19Å; Y222-T230 CarbonylContact O-C 3.52Å; Y222-T230 WeakPolarHBondContact O-CA 2.92Å; E223-T230 HydrophobicContact CB-CG2 4.04Å; E223-T230 HydrophobicContact CG-CG2 3.96Å; G228-T230 PolarHBondContact O-N 3.33Å
231	F	82.9	Confident	76.1	Confident	38 Å²	38	75 Å²	75	17%	0.167	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.8	-177.3	-60.4	-88.2	0	0	0	110.2	K220 Y222 C224 K229 R233 H236 L237 H240	K220-F231 CarbonylContact C-O 3.58Å; K220-F231 WeakPolarHBondContact CA-O 2.9Å; Y222-F231 PolarHBondContact N-O 3.47Å; Y222-F231 PolarHBondContact O-N 3.3Å; C224-F231 HydrophobicContact CB-CE2 4.18Å; K229-F231 HydrophobicContact CB-CE2 3.7Å; K229-F231 HydrophobicContact CB-CZ 3.83Å; K229-F231 WeakPolarHBondContact O-CD2 3.29Å; K229-F231 WeakPolarHBondContact O-CE2 3.5Å; F231-R233 VanDerWaalsContact C-N 3.27Å; F231-R233 PolarHBondContact O-N 2.95Å; F231-H236 HydrophobicContact CB-CB 4.35Å; F231-H236 HydrophobicContact CD1-CB 3.96Å; F231-H236 HydrophobicContact CG-CB 4.44Å; F231-L237 HydrophobicContact CB-CB 4.15Å; F231-L237 HydrophobicContact CD2-CB 3.84Å; F231-L237 HydrophobicContact CD2-CD1 3.65Å; F231-L237 HydrophobicContact CD2-CG 4.34Å; F231-L237 HydrophobicContact CE2-CD1 3.85Å; F231-L237 HydrophobicContact CG-CB 4.14Å; F231-H240 HydrophobicContact CE1-CB 3.86Å; F231-H240 AromaticContact CE1-CG 3.99Å; F231-H240 HydrophobicContact CE2-CB 3.94Å; F231-H240 AromaticContact CE2-CD2 3.38Å; F231-H240 WeakPolarHBondContact CE2-CD2 3.26Å; F231-H240 AromaticContact CE2-CG 3.71Å; F231-H240 HydrophobicContact CZ-CB 3.43Å; F231-H240 VanDerWaalsContact CZ-CB 3.43Å; F231-H240 AromaticContact CZ-CD2 3.27Å; F231-H240 WeakPolarHBondContact CZ-CD2 3.44Å; F231-H240 AromaticContact CZ-CG 3.16Å; F231-H240 AromaticContact CZ-ND1 3.81Å; F231-H240 AromaticContact CZ-NE2 3.94Å
232	S	82.8	Confident	76.1	Confident	70 Å²	70	74.2 Å²	74.2	49%	0.49	38%	0.378	S	S	.	.	S	Bend	trans	-76.9	-13.5	176.5	53.3	0	0	0	0	113.4
233	R	77.1	Confident	75.8	Confident	155 Å²	155	73.8 Å²	73.8	59%	0.585	39%	0.385	S	S	*	.	S	Bend	trans	-137.1	135.7	-179.1	-63.8	-177.7	179.3	172.8	-2.5	110.3	F231 S235 H236 L237	F231-R233 VanDerWaalsContact C-N 3.27Å; F231-R233 PolarHBondContact O-N 2.95Å; R233-S235 VanDerWaalsContact C-N 3.26Å; R233-S235 PolarHBondContact O-N 2.91Å; R233-H236 HydrophobicContact CB-CB 4.49Å; R233-H236 PolarHBondContact O-N 3.42Å; R233-H236 VanDerWaalsContact O-N 3.09Å; R233-L237 PolarHBondContact O-N 3.35Å
234	K	75.8	Confident	75.4	Confident	129 Å²	129	72.2 Å²	72.2	56%	0.561	38%	0.378	S	S	*	.	H	α-helix	trans	-58.1	-36.8	176.3	-167	176.3	-178.9	177.8	0	112.4	Y222 H236 L237 I238	Y222-K234 HydrophobicContact CD1-CB 3.95Å; Y222-K234 HydrophobicContact CD1-CG 4.11Å; Y222-K234 HydrophobicContact CD2-CB 4.28Å; Y222-K234 VanDerWaalsContact CD2-N 3.32Å; Y222-K234 HydrophobicContact CE1-CB 3.79Å; Y222-K234 HydrophobicContact CE1-CD 4.21Å; Y222-K234 HydrophobicContact CE1-CG 4.1Å; Y222-K234 HydrophobicContact CE2-CB 4.11Å; Y222-K234 HydrophobicContact CG-CB 4.19Å; K234-H236 VanDerWaalsContact C-N 3.31Å; K234-H236 PolarHBondContact O-N 2.91Å; K234-L237 PolarHBondContact O-N 3.26Å; K234-I238 HydrophobicContact CG-CD1 4.05Å; K234-I238 VanDerWaalsContact O-CG1 3.29Å; K234-I238 WeakPolarHBondContact O-CG1 3.31Å; K234-I238 PolarHBondContact O-N 3.45Å
235	S	74.8	Confident	74.7	Confident	66 Å²	66	76.3 Å²	76.3	46%	0.462	40%	0.403	S	S	.	.	H	α-helix	trans	-60.5	-38.5	175.8	54.5	0	0	0	0	112.9	R233 I238 T239	R233-S235 VanDerWaalsContact C-N 3.26Å; R233-S235 PolarHBondContact O-N 2.91Å; S235-I238 PolarHBondContact O-N 3.25Å; S235-T239 WeakPolarHBondContact O-CG2 3.49Å; S235-T239 PolarHBondContact O-N 2.99Å; S235-T239 PolarHBondContact O-OG1 3.22Å
236	H	75.1	Confident	74.3	Confident	85 Å²	85	73.6 Å²	73.6	39%	0.394	39%	0.394	S	S	.	.	H	α-helix	trans	-71.3	-38.4	176.8	-65.8	171.9	0	0	0	112	F231 R233 K234 T239 H240	F231-H236 HydrophobicContact CB-CB 4.35Å; F231-H236 HydrophobicContact CD1-CB 3.96Å; F231-H236 HydrophobicContact CG-CB 4.44Å; R233-H236 HydrophobicContact CB-CB 4.49Å; R233-H236 PolarHBondContact O-N 3.42Å; R233-H236 VanDerWaalsContact O-N 3.09Å; K234-H236 VanDerWaalsContact C-N 3.31Å; K234-H236 PolarHBondContact O-N 2.91Å; H236-T239 WeakPolarHBondContact CA-OG1 3.4Å; H236-T239 PolarHBondContact O-N 3.11Å; H236-T239 PolarHBondContact O-OG1 3.35Å; H236-H240 VanDerWaalsContact O-CB 3.26Å; H236-H240 WeakPolarHBondContact O-CB 3.37Å; H236-H240 PolarHBondContact O-N 3.41Å
237	L	77.4	Confident	74.1	Confident	16 Å²	16	70.6 Å²	70.6	8%	0.084	38%	0.38	C	S	.	.	H	α-helix	trans	-59	-48.8	171.2	172.9	61.4	0	0	0	110.5	C224 F231 R233 K234 T239 H240 E241	C224-L237 VanDerWaalsContact CA-CD1 3.5Å; C224-L237 HydrophobicContact CB-CD1 3.51Å; F231-L237 HydrophobicContact CB-CB 4.15Å; F231-L237 HydrophobicContact CD2-CB 3.84Å; F231-L237 HydrophobicContact CD2-CD1 3.65Å; F231-L237 HydrophobicContact CD2-CG 4.34Å; F231-L237 HydrophobicContact CE2-CD1 3.85Å; F231-L237 HydrophobicContact CG-CB 4.14Å; R233-L237 PolarHBondContact O-N 3.35Å; K234-L237 PolarHBondContact O-N 3.26Å; L237-T239 PolarHBondContact O-N 3.48Å; L237-H240 CarbonylContact O-C 3.55Å; L237-H240 WeakPolarHBondContact O-CA 3.49Å; L237-H240 WeakPolarHBondContact O-CB 3.38Å; L237-H240 PolarHBondContact O-N 3.43Å; L237-E241 HydrophobicContact CD1-CG 3.88Å; L237-E241 HydrophobicContact CG-CG 4.29Å; L237-E241 WeakPolarHBondContact O-CG 3.45Å; L237-E241 PolarHBondContact O-N 3.07Å
238	I	74.6	Confident	73.5	Confident	66 Å²	66	74.4 Å²	74.4	34%	0.338	39%	0.391	S	S	.	.	H	α-helix	trans	-60.2	-43.7	178.7	-67.7	165	0	0	0	111.3	K234 S235 H240 E241 R242	K234-I238 HydrophobicContact CG-CD1 4.05Å; K234-I238 VanDerWaalsContact O-CG1 3.29Å; K234-I238 WeakPolarHBondContact O-CG1 3.31Å; K234-I238 PolarHBondContact O-N 3.45Å; S235-I238 PolarHBondContact O-N 3.25Å; I238-H240 PolarHBondContact O-N 2.76Å; I238-E241 PolarHBondContact O-N 3.5Å; I238-R242 WeakPolarHBondContact O-CG 3.22Å; I238-R242 PolarHBondContact O-N 2.86Å
239	T	71.3	Confident	73.3	Confident	39 Å²	39	78.9 Å²	78.9	24%	0.239	40%	0.396	C	S	.	.	H	α-helix	trans	-66.1	-28.4	175.2	55.8	0	0	0	0	113.3	S235 H236 L237 D261	S235-T239 WeakPolarHBondContact O-CG2 3.49Å; S235-T239 PolarHBondContact O-N 2.99Å; S235-T239 PolarHBondContact O-OG1 3.22Å; H236-T239 WeakPolarHBondContact CA-OG1 3.4Å; H236-T239 PolarHBondContact O-N 3.11Å; H236-T239 PolarHBondContact O-OG1 3.35Å; L237-T239 PolarHBondContact O-N 3.48Å; T239-D261 HydrophobicContact CG2-CB 4.38Å
240	H	74.9	Confident	72.9	Confident	25 Å²	25	77.9 Å²	77.9	12%	0.116	39%	0.39	C	S	.	.	H	α-helix	trans	-78.4	-39.8	177.1	174.9	64.9	0	0	0	112	C227 F231 H236 L237 I238 R242 T243 H244	C227-H240 PolarHBondContact SG-NE2 3.49Å; F231-H240 HydrophobicContact CE1-CB 3.86Å; F231-H240 AromaticContact CE1-CG 3.99Å; F231-H240 HydrophobicContact CE2-CB 3.94Å; F231-H240 AromaticContact CE2-CD2 3.38Å; F231-H240 WeakPolarHBondContact CE2-CD2 3.26Å; F231-H240 AromaticContact CE2-CG 3.71Å; F231-H240 HydrophobicContact CZ-CB 3.43Å; F231-H240 VanDerWaalsContact CZ-CB 3.43Å; F231-H240 AromaticContact CZ-CD2 3.27Å; F231-H240 WeakPolarHBondContact CZ-CD2 3.44Å; F231-H240 AromaticContact CZ-CG 3.16Å; F231-H240 AromaticContact CZ-ND1 3.81Å; F231-H240 AromaticContact CZ-NE2 3.94Å; H236-H240 VanDerWaalsContact O-CB 3.26Å; H236-H240 WeakPolarHBondContact O-CB 3.37Å; H236-H240 PolarHBondContact O-N 3.41Å; L237-H240 CarbonylContact O-C 3.55Å; L237-H240 WeakPolarHBondContact O-CA 3.49Å; L237-H240 WeakPolarHBondContact O-CB 3.38Å; L237-H240 PolarHBondContact O-N 3.43Å; I238-H240 PolarHBondContact O-N 2.76Å; H240-R242 PolarHBondContact O-N 3.26Å; H240-T243 WeakPolarHBondContact O-CA 3.46Å; H240-T243 VanDerWaalsContact O-CB 3.3Å; H240-T243 WeakPolarHBondContact O-CB 3.39Å; H240-T243 PolarHBondContact O-N 3.06Å; H240-T243 PolarHBondContact O-OG1 3.33Å; H240-H244 AromaticContact CD2-NE2 3.83Å; H240-H244 AromaticContact CE1-NE2 3.59Å; H240-H244 AromaticContact NE2-CD2 3.94Å; H240-H244 AromaticContact NE2-CE1 3.98Å; H240-H244 AromaticContact NE2-NE2 3.07Å; H240-H244 PolarHBondContact NE2-NE2 2.88Å
241	E	71.8	Confident	72.7	Confident	65 Å²	65	80.8 Å²	80.8	30%	0.304	40%	0.397	S	S	.	.	H	α-helix	trans	-59	-34.7	175	-74.2	176.1	151.9	0	0	111.8	P225 L237 I238 T243 H244 T245	P225-E241 WeakPolarHBondContact CD-OE1 3.48Å; L237-E241 HydrophobicContact CD1-CG 3.88Å; L237-E241 HydrophobicContact CG-CG 4.29Å; L237-E241 WeakPolarHBondContact O-CG 3.45Å; L237-E241 PolarHBondContact O-N 3.07Å; I238-E241 PolarHBondContact O-N 3.5Å; E241-T243 PolarHBondContact O-N 3.48Å; E241-T243 VanDerWaalsContact O-N 3.12Å; E241-H244 WeakPolarHBondContact O-CB 3.39Å; E241-H244 PolarHBondContact O-N 3.14Å; E241-T245 PolarHBondContact O-N 3.03Å
242	R	74.4	Confident	72.5	Confident	68 Å²	68	79.1 Å²	79.1	26%	0.257	39%	0.39	S	S	.	.	H	α-helix	trans	-60.3	-19.5	171.4	-67	170.5	-171.6	177.9	-0.9	114.4	I238 H240 T245 G246 E247 Y249 S260	I238-R242 WeakPolarHBondContact O-CG 3.22Å; I238-R242 PolarHBondContact O-N 2.86Å; H240-R242 PolarHBondContact O-N 3.26Å; R242-T245 WeakPolarHBondContact CA-OG1 3.47Å; R242-G246 PolarHBondContact O-N 3.1Å; R242-G246 VanDerWaalsContact O-N 3.1Å; R242-E247 PolarHBondContact O-N 2.83Å; R242-Y249 HydrophobicContact CG-CE2 4.37Å; R242-S260 PolarHBondContact NH1-O 3.35Å
243	T	67.9	Low	71.9	Confident	82 Å²	82	82.7 Å²	82.7	50%	0.503	40%	0.404	S	S	.	.	H	α-helix	trans	-77.6	-23.3	174.2	70.3	0	0	0	0	112.7	H240 E241	H240-T243 WeakPolarHBondContact O-CA 3.46Å; H240-T243 VanDerWaalsContact O-CB 3.3Å; H240-T243 WeakPolarHBondContact O-CB 3.39Å; H240-T243 PolarHBondContact O-N 3.06Å; H240-T243 PolarHBondContact O-OG1 3.33Å; E241-T243 PolarHBondContact O-N 3.48Å; E241-T243 VanDerWaalsContact O-N 3.12Å
244	H	69.8	Low	71.6	Confident	85 Å²	85	82 Å²	82	39%	0.394	41%	0.407	S	S	.	.	H	α-helix	trans	-84.4	-36.2	174.2	-61.3	-62.9	0	0	0	111.8	C227 H240 E241 G246	C227-H244 PolarHBondContact SG-NE2 3.15Å; H240-H244 AromaticContact CD2-NE2 3.83Å; H240-H244 AromaticContact CE1-NE2 3.59Å; H240-H244 AromaticContact NE2-CD2 3.94Å; H240-H244 AromaticContact NE2-CE1 3.98Å; H240-H244 AromaticContact NE2-NE2 3.07Å; H240-H244 PolarHBondContact NE2-NE2 2.88Å; E241-H244 WeakPolarHBondContact O-CB 3.39Å; E241-H244 PolarHBondContact O-N 3.14Å; H244-G246 VanDerWaalsContact C-N 3.34Å
245	T	66.7	Low	71.6	Confident	87 Å²	87	78.2 Å²	78.2	53%	0.534	40%	0.396	S	S	.	.	H	α-helix	trans	-80.9	-14.6	177.3	61.7	0	0	0	0	113.2	E241 R242 E247	E241-T245 PolarHBondContact O-N 3.03Å; R242-T245 WeakPolarHBondContact CA-OG1 3.47Å; T245-E247 PolarHBondContact O-N 3.07Å; T245-E247 WeakPolarHBondContact OG1-CG 3.21Å; T245-E247 PolarHBondContact OG1-OE2 3.41Å
246	G	63.2	Low	71.3	Confident	49 Å²	49	77.1 Å²	77.1	51%	0.505	40%	0.396	S	S	.	.			trans	73	6.8	-178.4	0	0	0	0	0	114.1	R242 H244 K248	R242-G246 PolarHBondContact O-N 3.1Å; R242-G246 VanDerWaalsContact O-N 3.1Å; H244-G246 VanDerWaalsContact C-N 3.34Å; G246-K248 PolarHBondContact O-N 2.87Å
247	E	65.7	Low	71.3	Confident	88 Å²	88	79 Å²	79	41%	0.411	40%	0.403	S	S	.	.			trans	-70.6	113.8	-177.5	-67	171.9	126.7	0	0	111.1	R242 T245 Y249	R242-E247 PolarHBondContact O-N 2.83Å; T245-E247 PolarHBondContact O-N 3.07Å; T245-E247 WeakPolarHBondContact OG1-CG 3.21Å; T245-E247 PolarHBondContact OG1-OE2 3.41Å; E247-Y249 HydrophobicContact CB-CE1 4.43Å; E247-Y249 HydrophobicContact CB-CE2 3.91Å; E247-Y249 PolarHBondContact OE1-OH 3.23Å; E247-Y249 VanDerWaalsContact OE1-OH 3.14Å; E247-Y249 PolarHBondContact OE2-OH 2.92Å
248	K	67.2	Low	71.2	Confident	131 Å²	131	80.2 Å²	80.2	57%	0.57	41%	0.412	S	S	*	.			trans	-122	95.1	-179.4	-65.3	169.6	174.1	-173.7	0	109.6	G246 S258 F259	G246-K248 PolarHBondContact O-N 2.87Å; K248-S258 WeakPolarHBondContact CD-O 3.39Å; K248-F259 CarbonylContact C-O 3.37Å
249	Y	70.9	Confident	71.4	Confident	135 Å²	135	79.2 Å²	79.2	53%	0.529	41%	0.406	S	S	.	.			trans	-79.2	-21.9	-173.6	-56.8	-73.3	0	0	0	114.3	R242 E247 F259	R242-Y249 HydrophobicContact CG-CE2 4.37Å; E247-Y249 HydrophobicContact CB-CE1 4.43Å; E247-Y249 HydrophobicContact CB-CE2 3.91Å; E247-Y249 PolarHBondContact OE1-OH 3.23Å; E247-Y249 VanDerWaalsContact OE1-OH 3.14Å; E247-Y249 PolarHBondContact OE2-OH 2.92Å; Y249-F259 PolarHBondContact N-O 3.01Å
250	Y	70.9	Confident	71.5	Confident	98 Å²	98	78.6 Å²	78.6	38%	0.384	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	98.6	-176.1	-57	-82	0	0	0	109.9	S258 F259 G262 F265	Y250-S258 CarbonylContact O-C 3.55Å; Y250-S258 VanDerWaalsContact O-CA 3.3Å; Y250-S258 WeakPolarHBondContact O-CA 3.19Å; Y250-F259 PolarHBondContact N-O 3.44Å; Y250-F259 VanDerWaalsContact N-O 3.13Å; Y250-F259 PolarHBondContact O-N 3.5Å; Y250-G262 VanDerWaalsContact CE2-N 3.28Å; Y250-F265 HydrophobicContact CD1-CD1 4.24Å; Y250-F265 HydrophobicContact CG-CB 4.23Å; Y250-F265 HydrophobicContact CG-CD1 4.41Å; Y250-F265 HydrophobicContact CG-CG 4.41Å
251	K	71.5	Confident	71.6	Confident	120 Å²	120	79.5 Å²	79.5	52%	0.522	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.5	178.9	-174.2	-178	177.1	-165.6	0	110.1	F265	K251-F265 VanDerWaalsContact C-CE2 3.5Å; K251-F265 WeakPolarHBondContact O-CE2 3.35Å; K251-F265 WeakPolarHBondContact O-CZ 3.19Å
252	C	78.2	Confident	71.7	Confident	3 Å²	3	77.1 Å²	77.1	2%	0.02	40%	0.401	C	S	.	.			trans	-82.1	118.7	168.3	-179.9	0	0	0	0	109.4	E254 G256 K257 F265 H268 H272	C252-E254 VanDerWaalsContact C-N 3.31Å; C252-G256 WeakPolarHBondContact O-CA 3.19Å; C252-G256 PolarHBondContact O-N 3.38Å; C252-K257 WeakPolarHBondContact CB-O 3.48Å; C252-K257 PolarHBondContact N-O 3.12Å; C252-F265 HydrophobicContact CB-CE2 3.81Å; C252-H268 PolarHBondContact SG-NE2 3.43Å; C252-H272 VanDerWaalsContact SG-CD2 3.54Å; C252-H272 PolarHBondContact SG-NE2 3.06Å
253	D	70.9	Confident	71.7	Confident	145 Å²	145	78 Å²	78	78%	0.775	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-27.1	-179.9	-62.8	-40.1	0	0	0	112.2
254	E	70.6	Confident	72	Confident	140 Å²	140	76.7 Å²	76.7	65%	0.654	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-29.8	-179.3	-64.9	175.4	147.2	0	0	114	C252 H272	C252-E254 VanDerWaalsContact C-N 3.31Å; E254-H272 WeakPolarHBondContact OE2-CB 3.4Å; E254-H272 IonicContact OE2-CD2 3.95Å; E254-H272 PolarHBondContact OE2-CD2 3.24Å; E254-H272 IonicContact OE2-CG 2.97Å
255	C	75.2	Confident	72.4	Confident	49 Å²	49	74 Å²	74	33%	0.331	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.6	10.7	-179.6	83.4	0	0	0	0	114.9	K257 H268 H272	C255-K257 PolarHBondContact O-N 3Å; C255-K257 VanDerWaalsContact SG-CG 3.58Å; C255-H268 PolarHBondContact SG-CE1 3.08Å; C255-H268 PolarHBondContact SG-NE2 3.49Å; C255-H272 PolarHBondContact SG-NE2 3.44Å; C255-H272 VanDerWaalsContact SG-NE2 3.44Å
256	G	70	Confident	72.7	Confident	43 Å²	43	73 Å²	73	44%	0.443	39%	0.392	S	S	.	.			trans	66.7	4.3	175.7	0	0	0	0	0	116	C252	C252-G256 WeakPolarHBondContact O-CA 3.19Å; C252-G256 PolarHBondContact O-N 3.38Å
257	K	74.3	Confident	73.4	Confident	126 Å²	126	76 Å²	76	55%	0.548	39%	0.388	S	S	.	.			trans	-77.6	128.6	-177.3	-72.1	177.8	-172.5	170.2	0	110.4	C252 C255 F259	C252-K257 WeakPolarHBondContact CB-O 3.48Å; C252-K257 PolarHBondContact N-O 3.12Å; C255-K257 PolarHBondContact O-N 3Å; C255-K257 VanDerWaalsContact SG-CG 3.58Å; K257-F259 HydrophobicContact CB-CE2 3.72Å; K257-F259 HydrophobicContact CB-CZ 3.9Å; K257-F259 VanDerWaalsContact O-CE2 3.3Å; K257-F259 WeakPolarHBondContact O-CE2 3.36Å
258	S	75.7	Confident	74	Confident	40 Å²	40	72.8 Å²	72.8	28%	0.28	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	141.8	177.3	-44.8	0	0	0	0	112.1	K248 Y250	K248-S258 WeakPolarHBondContact CD-O 3.39Å; Y250-S258 CarbonylContact O-C 3.55Å; Y250-S258 VanDerWaalsContact O-CA 3.3Å; Y250-S258 WeakPolarHBondContact O-CA 3.19Å
259	F	77.1	Confident	74.2	Confident	45 Å²	45	70.4 Å²	70.4	20%	0.197	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.2	-175.5	-56.9	-95.7	0	0	0	110	K248 Y249 Y250 K257 D261 N264 F265 H268	K248-F259 CarbonylContact C-O 3.37Å; Y249-F259 PolarHBondContact N-O 3.01Å; Y250-F259 PolarHBondContact N-O 3.44Å; Y250-F259 VanDerWaalsContact N-O 3.13Å; Y250-F259 PolarHBondContact O-N 3.5Å; K257-F259 HydrophobicContact CB-CE2 3.72Å; K257-F259 HydrophobicContact CB-CZ 3.9Å; K257-F259 VanDerWaalsContact O-CE2 3.3Å; K257-F259 WeakPolarHBondContact O-CE2 3.36Å; F259-D261 VanDerWaalsContact C-N 3.34Å; F259-N264 HydrophobicContact CD1-CB 4.2Å; F259-F265 HydrophobicContact CB-CB 4.1Å; F259-F265 HydrophobicContact CD2-CB 4.14Å; F259-F265 AromaticContact CD2-CD2 3.68Å; F259-F265 HydrophobicContact CD2-CD2 3.68Å; F259-F265 HydrophobicContact CD2-CG 4.4Å; F259-F265 HydrophobicContact CE2-CD2 4.12Å; F259-F265 HydrophobicContact CG-CB 4.23Å; F259-H268 HydrophobicContact CE1-CB 3.97Å; F259-H268 HydrophobicContact CE2-CB 3.93Å; F259-H268 AromaticContact CE2-CD2 3.19Å; F259-H268 WeakPolarHBondContact CE2-CD2 3.28Å; F259-H268 AromaticContact CE2-CG 3.65Å; F259-H268 AromaticContact CE2-NE2 3.92Å; F259-H268 HydrophobicContact CZ-CB 3.47Å; F259-H268 VanDerWaalsContact CZ-CB 3.47Å; F259-H268 AromaticContact CZ-CD2 3.3Å; F259-H268 WeakPolarHBondContact CZ-CD2 3.43Å; F259-H268 AromaticContact CZ-CG 3.26Å; F259-H268 AromaticContact CZ-ND1 3.97Å; F259-H268 AromaticContact CZ-NE2 3.95Å
260	S	74.5	Confident	74.3	Confident	27 Å²	27	65.5 Å²	65.5	19%	0.189	35%	0.347	C	S	.	.	S	Bend	trans	-84	-10.2	178.9	52.6	0	0	0	0	113.7	R242	R242-S260 PolarHBondContact NH1-O 3.35Å
261	D	77.7	Confident	74.2	Confident	44 Å²	44	65 Å²	65	24%	0.235	36%	0.355	C	S	.	.	S	Bend	trans	-138	133.4	-175.7	168.9	37.1	0	0	0	110.7	T239 F259 S263 N264 F265	T239-D261 HydrophobicContact CG2-CB 4.38Å; F259-D261 VanDerWaalsContact C-N 3.34Å; D261-S263 VanDerWaalsContact C-N 3.32Å; D261-S263 PolarHBondContact O-N 3.47Å; D261-S263 PolarHBondContact OD1-N 3.3Å; D261-N264 PolarHBondContact O-N 3.42Å; D261-N264 PolarHBondContact OD2-ND2 2.92Å; D261-N264 VanDerWaalsContact OD2-ND2 3.1Å; D261-F265 PolarHBondContact O-N 2.8Å; D261-F265 VanDerWaalsContact O-N 3.15Å
262	G	73.7	Confident	74.2	Confident	14 Å²	14	62.7 Å²	62.7	14%	0.144	35%	0.346	C	S	.	.	H	α-helix	trans	-65	-32.9	-177.2	0	0	0	0	0	112.8	Y250 N264 F265 S266	Y250-G262 VanDerWaalsContact CE2-N 3.28Å; G262-N264 PolarHBondContact O-N 3.4Å; G262-F265 WeakPolarHBondContact O-CB 3.42Å; G262-F265 PolarHBondContact O-N 3.14Å; G262-S266 PolarHBondContact O-N 2.86Å; G262-S266 PolarHBondContact O-OG 3.29Å
263	S	74.4	Confident	73.8	Confident	87 Å²	87	66.5 Å²	66.5	61%	0.608	37%	0.369	S	S	*	.	H	α-helix	trans	-67.9	-36.9	178.4	-67.8	0	0	0	0	112.3	D261 R267	D261-S263 VanDerWaalsContact C-N 3.32Å; D261-S263 PolarHBondContact O-N 3.47Å; D261-S263 PolarHBondContact OD1-N 3.3Å; S263-R267 WeakPolarHBondContact O-CB 3.4Å; S263-R267 PolarHBondContact O-N 3.02Å; S263-R267 VanDerWaalsContact O-N 3.08Å
264	N	73.9	Confident	73.7	Confident	55 Å²	55	61.9 Å²	61.9	29%	0.294	36%	0.355	S	S	.	.	H	α-helix	trans	-70.5	-35.6	173.9	-69.4	-45.6	0	0	0	112.1	F259 D261 G262 R267 H268	F259-N264 HydrophobicContact CD1-CB 4.2Å; D261-N264 PolarHBondContact O-N 3.42Å; D261-N264 PolarHBondContact OD2-ND2 2.92Å; D261-N264 VanDerWaalsContact OD2-ND2 3.1Å; G262-N264 PolarHBondContact O-N 3.4Å; N264-R267 PolarHBondContact OD1-NH2 3.04Å; N264-H268 WeakPolarHBondContact O-CB 3.2Å; N264-H268 PolarHBondContact O-N 3.28Å
265	F	77.5	Confident	73.7	Confident	29 Å²	29	60.8 Å²	60.8	13%	0.127	35%	0.35	C	S	.	.	H	α-helix	trans	-65.1	-51.7	173.7	176.3	-116.4	0	0	0	112.2	Y250 K251 C252 F259 D261 G262 R267 H268 Q269	Y250-F265 HydrophobicContact CD1-CD1 4.24Å; Y250-F265 HydrophobicContact CG-CB 4.23Å; Y250-F265 HydrophobicContact CG-CD1 4.41Å; Y250-F265 HydrophobicContact CG-CG 4.41Å; K251-F265 VanDerWaalsContact C-CE2 3.5Å; K251-F265 WeakPolarHBondContact O-CE2 3.35Å; K251-F265 WeakPolarHBondContact O-CZ 3.19Å; C252-F265 HydrophobicContact CB-CE2 3.81Å; F259-F265 HydrophobicContact CB-CB 4.1Å; F259-F265 HydrophobicContact CD2-CB 4.14Å; F259-F265 AromaticContact CD2-CD2 3.68Å; F259-F265 HydrophobicContact CD2-CD2 3.68Å; F259-F265 HydrophobicContact CD2-CG 4.4Å; F259-F265 HydrophobicContact CE2-CD2 4.12Å; F259-F265 HydrophobicContact CG-CB 4.23Å; D261-F265 PolarHBondContact O-N 2.8Å; D261-F265 VanDerWaalsContact O-N 3.15Å; G262-F265 WeakPolarHBondContact O-CB 3.42Å; G262-F265 PolarHBondContact O-N 3.14Å; F265-R267 VanDerWaalsContact C-N 3.28Å; F265-R267 PolarHBondContact O-N 2.84Å; F265-H268 CarbonylContact O-C 3.51Å; F265-H268 WeakPolarHBondContact O-CA 3.49Å; F265-H268 WeakPolarHBondContact O-CB 3.5Å; F265-H268 PolarHBondContact O-N 2.98Å; F265-Q269 HydrophobicContact CD2-CG 4.48Å; F265-Q269 VanDerWaalsContact CE1-CD 3.48Å; F265-Q269 HydrophobicContact CE1-CG 4.2Å; F265-Q269 HydrophobicContact CE2-CG 4.06Å; F265-Q269 HydrophobicContact CZ-CG 3.94Å; F265-Q269 PolarHBondContact O-N 3.49Å
266	S	74.3	Confident	73.8	Confident	65 Å²	65	64.2 Å²	64.2	46%	0.455	36%	0.36	S	S	.	.	H	α-helix	trans	-59.3	-39.2	176.6	-60.2	0	0	0	0	111.8	G262 H268 Q269 T270	G262-S266 PolarHBondContact O-N 2.86Å; G262-S266 PolarHBondContact O-OG 3.29Å; S266-H268 VanDerWaalsContact C-N 3.31Å; S266-H268 PolarHBondContact O-N 2.86Å; S266-Q269 PolarHBondContact O-N 3.24Å; S266-T270 PolarHBondContact O-N 2.78Å
267	R	76.1	Confident	74.2	Confident	113 Å²	113	66.4 Å²	66.4	43%	0.426	37%	0.366	S	S	.	.	H	α-helix	trans	-63.4	-37.3	172.2	-176.1	173.7	67.3	-146.9	-3.4	112.3	S263 N264 F265 T270	S263-R267 WeakPolarHBondContact O-CB 3.4Å; S263-R267 PolarHBondContact O-N 3.02Å; S263-R267 VanDerWaalsContact O-N 3.08Å; N264-R267 PolarHBondContact OD1-NH2 3.04Å; F265-R267 VanDerWaalsContact C-N 3.28Å; F265-R267 PolarHBondContact O-N 2.84Å; R267-T270 PolarHBondContact O-N 3Å; R267-T270 PolarHBondContact O-OG1 3.5Å
268	H	78.5	Confident	74.3	Confident	20 Å²	20	65.2 Å²	65.2	9%	0.093	36%	0.359	C	S	.	.	H	α-helix	trans	-68.9	-37.1	176.3	169.1	56.7	0	0	0	112	C252 C255 F259 N264 F265 S266 T270 T271 H272	C252-H268 PolarHBondContact SG-NE2 3.43Å; C255-H268 PolarHBondContact SG-CE1 3.08Å; C255-H268 PolarHBondContact SG-NE2 3.49Å; F259-H268 HydrophobicContact CE1-CB 3.97Å; F259-H268 HydrophobicContact CE2-CB 3.93Å; F259-H268 AromaticContact CE2-CD2 3.19Å; F259-H268 WeakPolarHBondContact CE2-CD2 3.28Å; F259-H268 AromaticContact CE2-CG 3.65Å; F259-H268 AromaticContact CE2-NE2 3.92Å; F259-H268 HydrophobicContact CZ-CB 3.47Å; F259-H268 VanDerWaalsContact CZ-CB 3.47Å; F259-H268 AromaticContact CZ-CD2 3.3Å; F259-H268 WeakPolarHBondContact CZ-CD2 3.43Å; F259-H268 AromaticContact CZ-CG 3.26Å; F259-H268 AromaticContact CZ-ND1 3.97Å; F259-H268 AromaticContact CZ-NE2 3.95Å; N264-H268 WeakPolarHBondContact O-CB 3.2Å; N264-H268 PolarHBondContact O-N 3.28Å; F265-H268 CarbonylContact O-C 3.51Å; F265-H268 WeakPolarHBondContact O-CA 3.49Å; F265-H268 WeakPolarHBondContact O-CB 3.5Å; F265-H268 PolarHBondContact O-N 2.98Å; S266-H268 VanDerWaalsContact C-N 3.31Å; S266-H268 PolarHBondContact O-N 2.86Å; H268-T270 PolarHBondContact O-N 2.83Å; H268-T271 PolarHBondContact ND1-OG1 3Å; H268-T271 WeakPolarHBondContact O-CB 3.44Å; H268-T271 PolarHBondContact O-N 3.44Å; H268-T271 PolarHBondContact O-OG1 2.79Å; H268-H272 AromaticContact CE1-CE1 3.88Å; H268-H272 AromaticContact CE1-NE2 3.34Å; H268-H272 PolarHBondContact CE1-NE2 3.49Å; H268-H272 VanDerWaalsContact CE1-NE2 3.34Å; H268-H272 AromaticContact NE2-NE2 3.26Å; H268-H272 PolarHBondContact NE2-NE2 3.09Å
269	Q	71.4	Confident	74.4	Confident	81 Å²	81	69.8 Å²	69.8	38%	0.379	37%	0.374	S	S	.	.	H	α-helix	trans	-57.4	-34.7	175.6	-69.9	178.8	-62.6	0	0	112.3	F265 S266 T271 H272 T273	F265-Q269 HydrophobicContact CD2-CG 4.48Å; F265-Q269 VanDerWaalsContact CE1-CD 3.48Å; F265-Q269 HydrophobicContact CE1-CG 4.2Å; F265-Q269 HydrophobicContact CE2-CG 4.06Å; F265-Q269 HydrophobicContact CZ-CG 3.94Å; F265-Q269 PolarHBondContact O-N 3.49Å; S266-Q269 PolarHBondContact O-N 3.24Å; Q269-T271 PolarHBondContact O-N 3.29Å; Q269-H272 PolarHBondContact O-N 3.32Å; Q269-T273 PolarHBondContact O-N 3.3Å
270	T	73.3	Confident	74.6	Confident	31 Å²	31	67.7 Å²	67.7	19%	0.19	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-16.2	174.2	70.8	0	0	0	0	114.5	S266 R267 H268 T273 G274	S266-T270 PolarHBondContact O-N 2.78Å; R267-T270 PolarHBondContact O-N 3Å; R267-T270 PolarHBondContact O-OG1 3.5Å; H268-T270 PolarHBondContact O-N 2.83Å; T270-T273 WeakPolarHBondContact CA-OG1 3.24Å; T270-G274 PolarHBondContact O-N 3.01Å
271	T	70.2	Confident	74.8	Confident	88 Å²	88	77.7 Å²	77.7	54%	0.54	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-24.9	175.6	66	0	0	0	0	113.3	H268 Q269	H268-T271 PolarHBondContact ND1-OG1 3Å; H268-T271 WeakPolarHBondContact O-CB 3.44Å; H268-T271 PolarHBondContact O-N 3.44Å; H268-T271 PolarHBondContact O-OG1 2.79Å; Q269-T271 PolarHBondContact O-N 3.29Å
272	H	71.7	Confident	74.6	Confident	72 Å²	72	79.9 Å²	79.9	33%	0.333	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-40	178	-60.9	-50.5	0	0	0	111.8	C252 E254 C255 H268 Q269 G274	C252-H272 VanDerWaalsContact SG-CD2 3.54Å; C252-H272 PolarHBondContact SG-NE2 3.06Å; E254-H272 WeakPolarHBondContact OE2-CB 3.4Å; E254-H272 IonicContact OE2-CD2 3.95Å; E254-H272 PolarHBondContact OE2-CD2 3.24Å; E254-H272 IonicContact OE2-CG 2.97Å; C255-H272 PolarHBondContact SG-NE2 3.44Å; C255-H272 VanDerWaalsContact SG-NE2 3.44Å; H268-H272 AromaticContact CE1-CE1 3.88Å; H268-H272 AromaticContact CE1-NE2 3.34Å; H268-H272 PolarHBondContact CE1-NE2 3.49Å; H268-H272 VanDerWaalsContact CE1-NE2 3.34Å; H268-H272 AromaticContact NE2-NE2 3.26Å; H268-H272 PolarHBondContact NE2-NE2 3.09Å; Q269-H272 PolarHBondContact O-N 3.32Å; H272-G274 PolarHBondContact O-N 3.41Å
273	T	69.2	Low	74.5	Confident	83 Å²	83	80.9 Å²	80.9	51%	0.509	41%	0.414	S	S	.	.	S	Bend	trans	-70.9	-14.5	175.3	63.1	0	0	0	0	113	Q269 T270 E275	Q269-T273 PolarHBondContact O-N 3.3Å; T270-T273 WeakPolarHBondContact CA-OG1 3.24Å; T273-E275 PolarHBondContact O-N 3.05Å; T273-E275 VanDerWaalsContact O-N 3.13Å; T273-E275 WeakPolarHBondContact OG1-CG 3.33Å
274	G	69.1	Low	74.5	Confident	47 Å²	47	78.5 Å²	78.5	49%	0.485	40%	0.403	S	S	.	.			trans	68.7	5.8	-177.6	0	0	0	0	0	114	T270 H272 K276	T270-G274 PolarHBondContact O-N 3.01Å; H272-G274 PolarHBondContact O-N 3.41Å; G274-K276 PolarHBondContact O-N 3.29Å
275	E	69.9	Low	74.5	Confident	117 Å²	117	82 Å²	82	55%	0.547	42%	0.416	S	S	.	.			trans	-63	124.2	-179	-72.1	-178.4	167.2	0	0	110.7	T273 P277	T273-E275 PolarHBondContact O-N 3.05Å; T273-E275 VanDerWaalsContact O-N 3.13Å; T273-E275 WeakPolarHBondContact OG1-CG 3.33Å; E275-P277 WeakPolarHBondContact O-CD 3.42Å
276	K	77.2	Confident	74.7	Confident	122 Å²	122	82.8 Å²	82.8	53%	0.53	43%	0.425	S	S	.	.			trans	-125.2	79.1	177.8	-68.9	175.6	-172.8	175.9	0	108.5	G274 Y278 S286 F287	G274-K276 PolarHBondContact O-N 3.29Å; K276-Y278 PolarHBondContact O-N 2.89Å; K276-Y278 VanDerWaalsContact O-N 3.1Å; K276-S286 VanDerWaalsContact CB-CB 3.41Å; K276-S286 WeakPolarHBondContact CD-O 3.26Å; K276-S286 WeakPolarHBondContact O-CB 3.46Å; K276-F287 CarbonylContact C-O 3.59Å; K276-F287 VanDerWaalsContact C-O 3.27Å; K276-F287 WeakPolarHBondContact CA-O 3.42Å
277	P	77.8	Confident	75	Confident	88 Å²	88	81.7 Å²	81.7	57%	0.571	41%	0.412	S	S	*	.			trans	-63.4	-21.5	-170	-24.3	35.4	0	0	0	114	E275 K279	E275-P277 WeakPolarHBondContact O-CD 3.42Å; P277-K279 PolarHBondContact O-N 3Å
278	Y	77.9	Confident	75.1	Confident	101 Å²	101	78.5 Å²	78.5	40%	0.396	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	94	-172.3	-55.3	-77.5	0	0	0	110.9	K276 S286 F287 R289 S290	K276-Y278 PolarHBondContact O-N 2.89Å; K276-Y278 VanDerWaalsContact O-N 3.1Å; Y278-S286 CarbonylContact O-C 3.55Å; Y278-S286 WeakPolarHBondContact O-CA 3.4Å; Y278-F287 WeakPolarHBondContact CB-O 3.39Å; Y278-F287 WeakPolarHBondContact CD2-O 3.41Å; Y278-F287 PolarHBondContact N-O 3.1Å; Y278-F287 PolarHBondContact O-N 2.96Å; Y278-R289 VanDerWaalsContact CD2-C 3.4Å; Y278-S290 VanDerWaalsContact CD2-N 3.29Å
279	K	76.7	Confident	75.1	Confident	137 Å²	137	82.8 Å²	82.8	60%	0.596	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	131.2	-179.6	-170.1	175.9	-179.5	-177.8	0	112.4	P277	P277-K279 PolarHBondContact O-N 3Å
280	C	82.1	Confident	75.4	Confident	0 Å²	0	81.7 Å²	81.7	0%	0	42%	0.424	C	S	.	.			trans	-73.8	124.9	169.7	178.7	0	0	0	0	110	C283 G284 K285 F287 L293 H300	C280-C283 VanDerWaalsContact SG-SG 3.65Å; C280-G284 WeakPolarHBondContact O-CA 3.49Å; C280-G284 PolarHBondContact O-N 2.9Å; C280-K285 VanDerWaalsContact CB-O 3.32Å; C280-K285 WeakPolarHBondContact CB-O 3.26Å; C280-K285 PolarHBondContact N-O 2.99Å; C280-F287 HydrophobicContact CB-CE2 4.37Å; C280-L293 HydrophobicContact CB-CD1 3.52Å; C280-H300 PolarHBondContact SG-NE2 3.07Å; C280-H300 VanDerWaalsContact SG-NE2 3.43Å
281	R	78.6	Confident	75.7	Confident	237 Å²	237	82.4 Å²	82.4	89%	0.894	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-34.9	178.9	-67.1	-175	174	-178.4	-2.5	112.2
282	D	72.7	Confident	76.2	Confident	91 Å²	91	81.3 Å²	81.3	49%	0.487	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-18.3	-173.8	-43.5	-46.9	0	0	0	114.4	R157 H300	R157-D282 PolarHBondContact NH2-O 3.1Å; D282-H300 HydrophobicContact CB-CB 4.43Å; D282-H300 IonicContact OD2-CD2 3.94Å; D282-H300 IonicContact OD2-CG 3.12Å
283	C	71.3	Confident	76.7	Confident	35 Å²	35	78.9 Å²	78.9	24%	0.236	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-142	5.2	-178	81.5	0	0	0	0	115	R157 C280 K285 H296	R157-C283 VanDerWaalsContact NH2-CA 3.33Å; C280-C283 VanDerWaalsContact SG-SG 3.65Å; C283-K285 PolarHBondContact O-N 3.35Å; C283-K285 VanDerWaalsContact SG-CB 3.52Å; C283-K285 VanDerWaalsContact SG-CG 3.51Å; C283-H296 PolarHBondContact SG-NE2 3.17Å
284	G	74.9	Confident	77.2	Confident	37 Å²	37	79.3 Å²	79.3	38%	0.381	41%	0.411	S	S	.	.			trans	66.2	0	179.5	0	0	0	0	0	115.7	C280 S286	C280-G284 WeakPolarHBondContact O-CA 3.49Å; C280-G284 PolarHBondContact O-N 2.9Å; G284-S286 PolarHBondContact O-N 3.47Å
285	K	73.4	Confident	77.7	Confident	128 Å²	128	78.4 Å²	78.4	56%	0.557	40%	0.396	S	S	*	.			trans	-72	129.3	-178.4	-72.7	179.5	-178.7	178.4	0	110.3	C280 C283 F287	C280-K285 VanDerWaalsContact CB-O 3.32Å; C280-K285 WeakPolarHBondContact CB-O 3.26Å; C280-K285 PolarHBondContact N-O 2.99Å; C283-K285 PolarHBondContact O-N 3.35Å; C283-K285 VanDerWaalsContact SG-CB 3.52Å; C283-K285 VanDerWaalsContact SG-CG 3.51Å; K285-F287 HydrophobicContact CB-CE2 4.02Å; K285-F287 HydrophobicContact CB-CZ 4.09Å; K285-F287 WeakPolarHBondContact O-CE2 3.4Å
286	S	81.7	Confident	78.2	Confident	46 Å²	46	73.6 Å²	73.6	32%	0.322	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	146.6	179	-56.3	0	0	0	0	112	K276 Y278 G284	K276-S286 VanDerWaalsContact CB-CB 3.41Å; K276-S286 WeakPolarHBondContact CD-O 3.26Å; K276-S286 WeakPolarHBondContact O-CB 3.46Å; Y278-S286 CarbonylContact O-C 3.55Å; Y278-S286 WeakPolarHBondContact O-CA 3.4Å; G284-S286 PolarHBondContact O-N 3.47Å
287	F	80.9	Confident	78.3	Confident	42 Å²	42	71.1 Å²	71.1	18%	0.184	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	147.3	179.7	-58.4	-87.6	0	0	0	110.4	K276 Y278 C280 K285 R289 N292 L293 H296	K276-F287 CarbonylContact C-O 3.59Å; K276-F287 VanDerWaalsContact C-O 3.27Å; K276-F287 WeakPolarHBondContact CA-O 3.42Å; Y278-F287 WeakPolarHBondContact CB-O 3.39Å; Y278-F287 WeakPolarHBondContact CD2-O 3.41Å; Y278-F287 PolarHBondContact N-O 3.1Å; Y278-F287 PolarHBondContact O-N 2.96Å; C280-F287 HydrophobicContact CB-CE2 4.37Å; K285-F287 HydrophobicContact CB-CE2 4.02Å; K285-F287 HydrophobicContact CB-CZ 4.09Å; K285-F287 WeakPolarHBondContact O-CE2 3.4Å; F287-R289 PolarHBondContact O-N 3.22Å; F287-N292 HydrophobicContact CB-CB 4.19Å; F287-N292 HydrophobicContact CD1-CB 3.99Å; F287-N292 HydrophobicContact CG-CB 4.29Å; F287-L293 HydrophobicContact CB-CB 4.36Å; F287-L293 HydrophobicContact CD2-CB 3.82Å; F287-L293 HydrophobicContact CD2-CD1 3.77Å; F287-L293 HydrophobicContact CD2-CG 4.4Å; F287-L293 HydrophobicContact CE2-CD1 3.91Å; F287-L293 HydrophobicContact CG-CB 4.29Å; F287-H296 HydrophobicContact CE1-CB 4.07Å; F287-H296 HydrophobicContact CE2-CB 3.82Å; F287-H296 AromaticContact CE2-CD2 3.46Å; F287-H296 VanDerWaalsContact CE2-CD2 3.46Å; F287-H296 WeakPolarHBondContact CE2-CD2 3.36Å; F287-H296 AromaticContact CE2-CG 3.6Å; F287-H296 HydrophobicContact CZ-CB 3.46Å; F287-H296 VanDerWaalsContact CZ-CB 3.46Å; F287-H296 AromaticContact CZ-CD2 3.5Å; F287-H296 VanDerWaalsContact CZ-CD2 3.5Å; F287-H296 WeakPolarHBondContact CZ-CD2 3.36Å; F287-H296 AromaticContact CZ-CG 3.19Å; F287-H296 AromaticContact CZ-ND1 3.62Å
288	S	78.9	Confident	78.5	Confident	45 Å²	45	69.7 Å²	69.7	32%	0.315	35%	0.347	S	S	.	.	S	Bend	trans	-77	-9.4	174.4	54.4	0	0	0	0	113.3
289	R	78.7	Confident	78.4	Confident	110 Å²	110	70.3 Å²	70.3	42%	0.415	36%	0.356	S	S	.	.	S	Bend	trans	-137.5	135.5	-179.4	-61.3	178.3	67	-176.2	-1.8	111	Y278 F287 A291 N292 L293	Y278-R289 VanDerWaalsContact CD2-C 3.4Å; F287-R289 PolarHBondContact O-N 3.22Å; R289-A291 VanDerWaalsContact C-N 3.33Å; R289-A291 PolarHBondContact O-N 3.06Å; R289-N292 HydrophobicContact CB-CB 4.32Å; R289-N292 WeakPolarHBondContact O-CB 3.28Å; R289-N292 PolarHBondContact O-N 3.42Å; R289-N292 VanDerWaalsContact O-N 3.09Å; R289-L293 PolarHBondContact O-N 3.35Å
290	S	78.1	Confident	78.2	Confident	58 Å²	58	66.5 Å²	66.5	41%	0.406	34%	0.341	S	S	.	.	H	α-helix	trans	-57.2	-43.1	174.6	56.8	0	0	0	0	112.5	Y278 N292 L293 I294	Y278-S290 VanDerWaalsContact CD2-N 3.29Å; S290-N292 PolarHBondContact O-N 3.07Å; S290-L293 WeakPolarHBondContact O-CB 3.35Å; S290-L293 PolarHBondContact O-N 2.74Å; S290-L293 VanDerWaalsContact O-N 3.08Å; S290-I294 WeakPolarHBondContact O-CG1 3.39Å; S290-I294 PolarHBondContact O-N 2.83Å
291	A	78.4	Confident	78	Confident	46 Å²	46	70.5 Å²	70.5	38%	0.38	37%	0.365	S	S	.	.	H	α-helix	trans	-58.1	-36.3	176.5	0	0	0	0	0	112.8	R289 I294 T295	R289-A291 VanDerWaalsContact C-N 3.33Å; R289-A291 PolarHBondContact O-N 3.06Å; A291-I294 PolarHBondContact O-N 3.34Å; A291-T295 WeakPolarHBondContact O-CG2 3.14Å; A291-T295 PolarHBondContact O-N 2.9Å
292	N	81.1	Confident	77.8	Confident	65 Å²	65	61.4 Å²	61.4	35%	0.348	35%	0.345	S	S	.	.	H	α-helix	trans	-70	-40.1	177.3	-70.3	-10.7	0	0	0	111.1	F287 R289 S290 T295 H296	F287-N292 HydrophobicContact CB-CB 4.19Å; F287-N292 HydrophobicContact CD1-CB 3.99Å; F287-N292 HydrophobicContact CG-CB 4.29Å; R289-N292 HydrophobicContact CB-CB 4.32Å; R289-N292 WeakPolarHBondContact O-CB 3.28Å; R289-N292 PolarHBondContact O-N 3.42Å; R289-N292 VanDerWaalsContact O-N 3.09Å; S290-N292 PolarHBondContact O-N 3.07Å; N292-T295 PolarHBondContact O-N 3.39Å; N292-T295 PolarHBondContact O-OG1 3.22Å; N292-H296 WeakPolarHBondContact O-CB 3.48Å; N292-H296 PolarHBondContact O-N 3.36Å
293	L	81.7	Confident	78	Confident	22 Å²	22	62.3 Å²	62.3	12%	0.115	35%	0.346	C	S	.	.	H	α-helix	trans	-59.9	-46.6	173.1	172.9	61.8	0	0	0	111.5	C280 F287 R289 S290 T295 H296 Q297	C280-L293 HydrophobicContact CB-CD1 3.52Å; F287-L293 HydrophobicContact CB-CB 4.36Å; F287-L293 HydrophobicContact CD2-CB 3.82Å; F287-L293 HydrophobicContact CD2-CD1 3.77Å; F287-L293 HydrophobicContact CD2-CG 4.4Å; F287-L293 HydrophobicContact CE2-CD1 3.91Å; F287-L293 HydrophobicContact CG-CB 4.29Å; R289-L293 PolarHBondContact O-N 3.35Å; S290-L293 WeakPolarHBondContact O-CB 3.35Å; S290-L293 PolarHBondContact O-N 2.74Å; S290-L293 VanDerWaalsContact O-N 3.08Å; L293-T295 PolarHBondContact O-N 3.14Å; L293-H296 CarbonylContact O-C 3.58Å; L293-H296 WeakPolarHBondContact O-CA 3.17Å; L293-H296 WeakPolarHBondContact O-CB 3.28Å; L293-H296 PolarHBondContact O-N 3.13Å; L293-Q297 HydrophobicContact CD1-CG 4.19Å; L293-Q297 WeakPolarHBondContact O-CG 3.48Å; L293-Q297 PolarHBondContact O-N 3.26Å
294	I	80.6	Confident	78.5	Confident	91 Å²	91	66.3 Å²	66.3	47%	0.467	36%	0.359	S	S	.	.	H	α-helix	trans	-60.1	-45.4	177.5	-65.8	167.7	0	0	0	110.7	S290 A291 H296 Q297 R298	S290-I294 WeakPolarHBondContact O-CG1 3.39Å; S290-I294 PolarHBondContact O-N 2.83Å; A291-I294 PolarHBondContact O-N 3.34Å; I294-H296 PolarHBondContact O-N 2.95Å; I294-Q297 PolarHBondContact O-N 3.46Å; I294-R298 PolarHBondContact O-N 3.3Å
295	T	78.8	Confident	78.9	Confident	29 Å²	29	67.9 Å²	67.9	18%	0.178	36%	0.363	C	S	.	.	H	α-helix	trans	-66.1	-26.1	175.7	67.4	0	0	0	0	113.3	A291 N292 L293 R317	A291-T295 WeakPolarHBondContact O-CG2 3.14Å; A291-T295 PolarHBondContact O-N 2.9Å; N292-T295 PolarHBondContact O-N 3.39Å; N292-T295 PolarHBondContact O-OG1 3.22Å; L293-T295 PolarHBondContact O-N 3.14Å; T295-R317 PolarHBondContact OG1-NH2 3.46Å; T295-R317 VanDerWaalsContact OG1-NH2 3.1Å
296	H	81.1	Confident	79.3	Confident	15 Å²	15	64.8 Å²	64.8	7%	0.069	35%	0.35	C	S	.	.	H	α-helix	trans	-77.5	-38	177.1	173	71.6	0	0	0	111.7	C283 F287 N292 L293 I294 R298 I299 H300	C283-H296 PolarHBondContact SG-NE2 3.17Å; F287-H296 HydrophobicContact CE1-CB 4.07Å; F287-H296 HydrophobicContact CE2-CB 3.82Å; F287-H296 AromaticContact CE2-CD2 3.46Å; F287-H296 VanDerWaalsContact CE2-CD2 3.46Å; F287-H296 WeakPolarHBondContact CE2-CD2 3.36Å; F287-H296 AromaticContact CE2-CG 3.6Å; F287-H296 HydrophobicContact CZ-CB 3.46Å; F287-H296 VanDerWaalsContact CZ-CB 3.46Å; F287-H296 AromaticContact CZ-CD2 3.5Å; F287-H296 VanDerWaalsContact CZ-CD2 3.5Å; F287-H296 WeakPolarHBondContact CZ-CD2 3.36Å; F287-H296 AromaticContact CZ-CG 3.19Å; F287-H296 AromaticContact CZ-ND1 3.62Å; N292-H296 WeakPolarHBondContact O-CB 3.48Å; N292-H296 PolarHBondContact O-N 3.36Å; L293-H296 CarbonylContact O-C 3.58Å; L293-H296 WeakPolarHBondContact O-CA 3.17Å; L293-H296 WeakPolarHBondContact O-CB 3.28Å; L293-H296 PolarHBondContact O-N 3.13Å; I294-H296 PolarHBondContact O-N 2.95Å; H296-R298 PolarHBondContact O-N 2.95Å; H296-I299 WeakPolarHBondContact O-CB 3.34Å; H296-I299 WeakPolarHBondContact O-CG1 3.47Å; H296-I299 PolarHBondContact O-N 3.22Å; H296-H300 AromaticContact CD2-NE2 3.89Å; H296-H300 AromaticContact CE1-NE2 3.89Å; H296-H300 AromaticContact NE2-NE2 3.2Å; H296-H300 PolarHBondContact NE2-NE2 2.73Å
297	Q	78.9	Confident	79.3	Confident	70 Å²	70	68.6 Å²	68.6	33%	0.327	36%	0.363	S	S	.	.	H	α-helix	trans	-59.2	-30.2	176.1	-77.1	174.2	-45	0	0	112.6	L293 I294 I299 H300 T301	L293-Q297 HydrophobicContact CD1-CG 4.19Å; L293-Q297 WeakPolarHBondContact O-CG 3.48Å; L293-Q297 PolarHBondContact O-N 3.26Å; I294-Q297 PolarHBondContact O-N 3.46Å; Q297-I299 PolarHBondContact O-N 3.04Å; Q297-H300 PolarHBondContact O-N 3.4Å; Q297-T301 PolarHBondContact O-N 2.93Å; Q297-T301 PolarHBondContact O-OG1 3.48Å
298	R	82.9	Confident	79.4	Confident	59 Å²	59	66.7 Å²	66.7	22%	0.223	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-17.1	171.4	-63.6	-179.8	-172.5	172.9	-0.8	114.5	I294 H296 T301 G302 E303 S316	I294-R298 PolarHBondContact O-N 3.3Å; H296-R298 PolarHBondContact O-N 2.95Å; R298-T301 WeakPolarHBondContact CA-OG1 3.15Å; R298-G302 PolarHBondContact O-N 3.03Å; R298-E303 HydrophobicContact CG-CB 4.36Å; R298-S316 PolarHBondContact NH1-O 3.27Å
299	I	74.3	Confident	79.4	Confident	113 Å²	113	69.4 Å²	69.4	58%	0.579	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-35.3	173.3	-58	174.9	0	0	0	110.6	H296 Q297	H296-I299 WeakPolarHBondContact O-CB 3.34Å; H296-I299 WeakPolarHBondContact O-CG1 3.47Å; H296-I299 PolarHBondContact O-N 3.22Å; Q297-I299 PolarHBondContact O-N 3.04Å
300	H	73.4	Confident	79.3	Confident	58 Å²	58	70.5 Å²	70.5	27%	0.269	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-39.2	179.3	-56.2	-55.5	0	0	0	111.5	R157 C280 D282 H296 Q297 G302	R157-H300 PolarHBondContact NH1-CE1 2.83Å; R157-H300 PolarHBondContact NH1-ND1 3.45Å; R157-H300 VanDerWaalsContact NH1-ND1 3.18Å; C280-H300 PolarHBondContact SG-NE2 3.07Å; C280-H300 VanDerWaalsContact SG-NE2 3.43Å; D282-H300 HydrophobicContact CB-CB 4.43Å; D282-H300 IonicContact OD2-CD2 3.94Å; D282-H300 IonicContact OD2-CG 3.12Å; H296-H300 AromaticContact CD2-NE2 3.89Å; H296-H300 AromaticContact CE1-NE2 3.89Å; H296-H300 AromaticContact NE2-NE2 3.2Å; H296-H300 PolarHBondContact NE2-NE2 2.73Å; Q297-H300 PolarHBondContact O-N 3.4Å; H300-G302 VanDerWaalsContact C-N 3.31Å
301	T	76.8	Confident	79	Confident	83 Å²	83	70.1 Å²	70.1	51%	0.509	39%	0.386	S	S	.	.	S	Bend	trans	-80.2	-12.8	178.9	62.9	0	0	0	0	113.5	Q297 R298 E303	Q297-T301 PolarHBondContact O-N 2.93Å; Q297-T301 PolarHBondContact O-OG1 3.48Å; R298-T301 WeakPolarHBondContact CA-OG1 3.15Å; T301-E303 PolarHBondContact O-N 3.38Å; T301-E303 VanDerWaalsContact O-N 3.14Å; T301-E303 WeakPolarHBondContact OG1-CG 3.37Å
302	G	75.4	Confident	79	Confident	46 Å²	46	69.7 Å²	69.7	47%	0.474	39%	0.386	S	S	.	.			trans	70.2	1.4	-176.2	0	0	0	0	0	114.6	R298 H300 K304	R298-G302 PolarHBondContact O-N 3.03Å; H300-G302 VanDerWaalsContact C-N 3.31Å; G302-K304 PolarHBondContact O-N 3.48Å
303	E	76.9	Confident	78.7	Confident	111 Å²	111	72.5 Å²	72.5	52%	0.519	40%	0.395	S	S	.	.			trans	-58.8	122.9	-179.1	-74.6	178.2	-174.6	0	0	111.9	R298 T301 P305	R298-E303 HydrophobicContact CG-CB 4.36Å; T301-E303 PolarHBondContact O-N 3.38Å; T301-E303 VanDerWaalsContact O-N 3.14Å; T301-E303 WeakPolarHBondContact OG1-CG 3.37Å; E303-P305 WeakPolarHBondContact O-CD 3.29Å
304	K	81.9	Confident	78.8	Confident	118 Å²	118	73.6 Å²	73.6	51%	0.513	40%	0.404	S	S	.	.			trans	-124.4	77.5	176.9	-70.3	165.2	-178.9	174.3	0	109.7	G302 F306 S314 F315	G302-K304 PolarHBondContact O-N 3.48Å; K304-F306 PolarHBondContact O-N 3.21Å; K304-F306 VanDerWaalsContact O-N 3.1Å; K304-S314 VanDerWaalsContact CB-CB 3.43Å; K304-S314 WeakPolarHBondContact CD-O 3.2Å; K304-S314 WeakPolarHBondContact O-CB 3.48Å; K304-F315 CarbonylContact C-O 3.33Å; K304-F315 VanDerWaalsContact C-O 3.28Å; K304-F315 WeakPolarHBondContact CA-O 3.29Å
305	P	82.2	Confident	78.8	Confident	70 Å²	70	71.3 Å²	71.3	46%	0.455	39%	0.391	S	S	.	.			trans	-66.8	-15.2	-171	-22	34.5	0	0	0	114.7	E303	E303-P305 WeakPolarHBondContact O-CD 3.29Å
306	F	82.1	Confident	78.9	Confident	64 Å²	64	71.5 Å²	71.5	28%	0.281	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	95.9	-172.8	-56.3	-75.7	0	0	0	110.3	K304 S314 F315 R317 S318 L321	K304-F306 PolarHBondContact O-N 3.21Å; K304-F306 VanDerWaalsContact O-N 3.1Å; F306-S314 CarbonylContact O-C 3.52Å; F306-S314 WeakPolarHBondContact O-CA 3.47Å; F306-F315 HydrophobicContact CB-CB 4.39Å; F306-F315 WeakPolarHBondContact CB-O 3.48Å; F306-F315 WeakPolarHBondContact CD2-O 3.26Å; F306-F315 PolarHBondContact N-O 3.04Å; F306-F315 VanDerWaalsContact N-O 3.08Å; F306-F315 PolarHBondContact O-N 2.81Å; F306-R317 VanDerWaalsContact CD2-C 3.41Å; F306-S318 VanDerWaalsContact CD2-N 3.32Å; F306-L321 HydrophobicContact CB-CB 4.05Å; F306-L321 HydrophobicContact CB-CD2 3.79Å
307	Q	82.2	Confident	78.9	Confident	126 Å²	126	76.3 Å²	76.3	59%	0.589	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	138.8	-179.3	-169	173.1	18	0	0	112.3	G312 S314	Q307-G312 WeakPolarHBondContact CG-O 3.34Å; Q307-G312 PolarHBondContact NE2-O 3.45Å; Q307-G312 VanDerWaalsContact NE2-O 3.12Å; Q307-S314 WeakPolarHBondContact CG-OG 3.22Å
308	C	83.9	Confident	79	Confident	1 Å²	1	75.2 Å²	75.2	1%	0.007	41%	0.412	C	S	.	.			trans	-80.7	119.7	170.2	-177.3	0	0	0	0	109.8	E310 C311 G312 K313 L321 H328	C308-E310 VanDerWaalsContact C-N 3.27Å; C308-E310 PolarHBondContact O-N 3.34Å; C308-C311 VanDerWaalsContact SG-SG 3.63Å; C308-G312 WeakPolarHBondContact O-CA 3.22Å; C308-G312 PolarHBondContact O-N 3.12Å; C308-K313 WeakPolarHBondContact CB-O 3.43Å; C308-K313 PolarHBondContact N-O 3.4Å; C308-L321 HydrophobicContact CB-CD1 3.61Å; C308-H328 PolarHBondContact SG-NE2 2.79Å; C308-H328 VanDerWaalsContact SG-NE2 3.39Å
309	A	78.6	Confident	78.7	Confident	102 Å²	102	76.7 Å²	76.7	84%	0.843	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-30.6	179.6	0	0	0	0	0	113.3
310	E	76.3	Confident	79	Confident	134 Å²	134	75.1 Å²	75.1	63%	0.626	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-30.8	-174.3	-67.1	174.4	171.1	0	0	113.9	C308 H328	C308-E310 VanDerWaalsContact C-N 3.27Å; C308-E310 PolarHBondContact O-N 3.34Å; E310-H328 WeakPolarHBondContact OE2-CB 3.47Å; E310-H328 IonicContact OE2-CD2 3.33Å; E310-H328 PolarHBondContact OE2-CD2 3.34Å; E310-H328 IonicContact OE2-CG 3.04Å; E310-H328 IonicContact OE2-NE2 3.72Å
311	C	72.6	Confident	79.4	Confident	50 Å²	50	73.3 Å²	73.3	34%	0.338	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.5	4.7	-175.5	75.1	0	0	0	0	114.2	C308 K313 H324 H328	C308-C311 VanDerWaalsContact SG-SG 3.63Å; C311-K313 PolarHBondContact O-N 3.08Å; C311-K313 VanDerWaalsContact SG-CG 3.58Å; C311-H324 PolarHBondContact SG-NE2 2.92Å; C311-H328 PolarHBondContact SG-NE2 3.46Å; C311-H328 VanDerWaalsContact SG-NE2 3.37Å
312	G	77	Confident	79.5	Confident	37 Å²	37	73.1 Å²	73.1	38%	0.381	41%	0.409	S	S	.	.			trans	68.2	-1	179.5	0	0	0	0	0	115.4	Q307 C308	Q307-G312 WeakPolarHBondContact CG-O 3.34Å; Q307-G312 PolarHBondContact NE2-O 3.45Å; Q307-G312 VanDerWaalsContact NE2-O 3.12Å; C308-G312 WeakPolarHBondContact O-CA 3.22Å; C308-G312 PolarHBondContact O-N 3.12Å
313	K	75.8	Confident	79.6	Confident	124 Å²	124	72.5 Å²	72.5	54%	0.539	40%	0.399	S	S	.	.			trans	-70.7	131.3	-177.4	-71.6	179.8	-178.3	174.8	0	111.7	C308 C311 F315	C308-K313 WeakPolarHBondContact CB-O 3.43Å; C308-K313 PolarHBondContact N-O 3.4Å; C311-K313 PolarHBondContact O-N 3.08Å; C311-K313 VanDerWaalsContact SG-CG 3.58Å; K313-F315 HydrophobicContact CB-CE2 4.04Å; K313-F315 HydrophobicContact CB-CZ 4.21Å; K313-F315 WeakPolarHBondContact O-CE2 3.45Å
314	S	83.3	Confident	79.7	Confident	44 Å²	44	68.4 Å²	68.4	31%	0.308	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	144.3	-178	-51.4	0	0	0	0	112.9	K304 F306 Q307	K304-S314 VanDerWaalsContact CB-CB 3.43Å; K304-S314 WeakPolarHBondContact CD-O 3.2Å; K304-S314 WeakPolarHBondContact O-CB 3.48Å; F306-S314 CarbonylContact O-C 3.52Å; F306-S314 WeakPolarHBondContact O-CA 3.47Å; Q307-S314 WeakPolarHBondContact CG-OG 3.22Å
315	F	81.4	Confident	79.6	Confident	44 Å²	44	66.5 Å²	66.5	19%	0.193	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	147.2	-177.6	-58.5	-91	0	0	0	110.7	K304 F306 K313 R317 N320 L321 H324	K304-F315 CarbonylContact C-O 3.33Å; K304-F315 VanDerWaalsContact C-O 3.28Å; K304-F315 WeakPolarHBondContact CA-O 3.29Å; F306-F315 HydrophobicContact CB-CB 4.39Å; F306-F315 WeakPolarHBondContact CB-O 3.48Å; F306-F315 WeakPolarHBondContact CD2-O 3.26Å; F306-F315 PolarHBondContact N-O 3.04Å; F306-F315 VanDerWaalsContact N-O 3.08Å; F306-F315 PolarHBondContact O-N 2.81Å; K313-F315 HydrophobicContact CB-CE2 4.04Å; K313-F315 HydrophobicContact CB-CZ 4.21Å; K313-F315 WeakPolarHBondContact O-CE2 3.45Å; F315-R317 VanDerWaalsContact C-N 3.28Å; F315-R317 PolarHBondContact O-N 3.19Å; F315-N320 HydrophobicContact CB-CB 4.32Å; F315-N320 HydrophobicContact CD1-CB 3.96Å; F315-N320 HydrophobicContact CG-CB 4.38Å; F315-L321 HydrophobicContact CB-CB 4.31Å; F315-L321 HydrophobicContact CD2-CB 3.82Å; F315-L321 HydrophobicContact CD2-CD1 3.7Å; F315-L321 HydrophobicContact CD2-CG 4.37Å; F315-L321 HydrophobicContact CE2-CD1 3.86Å; F315-L321 HydrophobicContact CG-CB 4.23Å; F315-H324 HydrophobicContact CE1-CB 3.93Å; F315-H324 HydrophobicContact CE2-CB 3.78Å; F315-H324 AromaticContact CE2-CD2 3.35Å; F315-H324 WeakPolarHBondContact CE2-CD2 3.45Å; F315-H324 AromaticContact CE2-CG 3.63Å; F315-H324 HydrophobicContact CZ-CB 3.35Å; F315-H324 AromaticContact CZ-CD2 3.38Å; F315-H324 WeakPolarHBondContact CZ-CD2 3.41Å; F315-H324 AromaticContact CZ-CG 3.19Å; F315-H324 AromaticContact CZ-ND1 3.87Å
316	S	81.2	Confident	79.5	Confident	33 Å²	33	66.2 Å²	66.2	23%	0.231	36%	0.363	C	S	.	.	S	Bend	trans	-78.4	-13.1	176.9	57.7	0	0	0	0	113.5	R298	R298-S316 PolarHBondContact NH1-O 3.27Å
317	R	80.3	Confident	79.2	Confident	115 Å²	115	67.8 Å²	67.8	43%	0.434	38%	0.378	S	S	.	.	S	Bend	trans	-137.8	135.5	-177.9	-62.4	-176.3	176.3	-179.9	-4.6	111.6	T295 F306 F315 N320 L321	T295-R317 PolarHBondContact OG1-NH2 3.46Å; T295-R317 VanDerWaalsContact OG1-NH2 3.1Å; F306-R317 VanDerWaalsContact CD2-C 3.41Å; F315-R317 VanDerWaalsContact C-N 3.28Å; F315-R317 PolarHBondContact O-N 3.19Å; R317-N320 WeakPolarHBondContact O-CB 3.36Å; R317-N320 PolarHBondContact O-N 3.37Å; R317-L321 PolarHBondContact O-N 3.32Å
318	S	80.1	Confident	78.9	Confident	48 Å²	48	65.3 Å²	65.3	34%	0.336	37%	0.366	S	S	.	.	H	α-helix	trans	-57.8	-44.8	179	165	0	0	0	0	114.3	F306 N320 L321 I322	F306-S318 VanDerWaalsContact CD2-N 3.32Å; S318-N320 PolarHBondContact O-N 3.45Å; S318-N320 VanDerWaalsContact O-N 3.15Å; S318-L321 WeakPolarHBondContact O-CB 3.38Å; S318-L321 PolarHBondContact O-N 2.96Å; S318-I322 PolarHBondContact O-N 3.27Å
319	P	78.1	Confident	78.5	Confident	89 Å²	89	69.1 Å²	69.1	58%	0.578	39%	0.39	S	S	*	.	H	α-helix	trans	-59.3	-29.7	177.4	-27.2	35.6	0	0	0	114.2	A323	P319-A323 WeakPolarHBondContact O-CB 3.38Å; P319-A323 PolarHBondContact O-N 3.21Å
320	N	79.2	Confident	78.2	Confident	80 Å²	80	66.5 Å²	66.5	43%	0.428	37%	0.372	S	S	.	.	H	α-helix	trans	-73.4	-36.8	177.4	-65.2	-5.1	0	0	0	111.3	F315 R317 S318 H324	F315-N320 HydrophobicContact CB-CB 4.32Å; F315-N320 HydrophobicContact CD1-CB 3.96Å; F315-N320 HydrophobicContact CG-CB 4.38Å; R317-N320 WeakPolarHBondContact O-CB 3.36Å; R317-N320 PolarHBondContact O-N 3.37Å; S318-N320 PolarHBondContact O-N 3.45Å; S318-N320 VanDerWaalsContact O-N 3.15Å; N320-H324 VanDerWaalsContact O-CB 3.3Å; N320-H324 WeakPolarHBondContact O-CB 3.39Å; N320-H324 PolarHBondContact O-N 2.79Å
321	L	81.6	Confident	78.1	Confident	20 Å²	20	65.6 Å²	65.6	11%	0.105	37%	0.368	C	S	.	.	H	α-helix	trans	-63	-46.2	171.8	172.2	63.1	0	0	0	110.7	F306 C308 F315 R317 S318 A323 H324 Q325	F306-L321 HydrophobicContact CB-CB 4.05Å; F306-L321 HydrophobicContact CB-CD2 3.79Å; C308-L321 HydrophobicContact CB-CD1 3.61Å; F315-L321 HydrophobicContact CB-CB 4.31Å; F315-L321 HydrophobicContact CD2-CB 3.82Å; F315-L321 HydrophobicContact CD2-CD1 3.7Å; F315-L321 HydrophobicContact CD2-CG 4.37Å; F315-L321 HydrophobicContact CE2-CD1 3.86Å; F315-L321 HydrophobicContact CG-CB 4.23Å; R317-L321 PolarHBondContact O-N 3.32Å; S318-L321 WeakPolarHBondContact O-CB 3.38Å; S318-L321 PolarHBondContact O-N 2.96Å; L321-A323 VanDerWaalsContact C-N 3.35Å; L321-A323 PolarHBondContact O-N 3.19Å; L321-H324 CarbonylContact O-C 3.56Å; L321-H324 WeakPolarHBondContact O-CA 2.95Å; L321-H324 WeakPolarHBondContact O-CB 3.42Å; L321-H324 PolarHBondContact O-N 3.3Å; L321-Q325 HydrophobicContact CD1-CG 4.18Å; L321-Q325 HydrophobicContact CG-CG 4.48Å; L321-Q325 WeakPolarHBondContact O-CG 3.43Å; L321-Q325 PolarHBondContact O-N 3.14Å
322	I	80.4	Confident	78.4	Confident	79 Å²	79	69.3 Å²	69.3	41%	0.405	38%	0.378	S	S	.	.	H	α-helix	trans	-61.1	-45	178.2	-64	169.6	0	0	0	110.6	S318 H324 Q325 R326	S318-I322 PolarHBondContact O-N 3.27Å; I322-H324 PolarHBondContact O-N 2.81Å; I322-Q325 PolarHBondContact O-N 2.8Å; I322-R326 PolarHBondContact O-N 3.12Å
323	A	76.9	Confident	78.6	Confident	34 Å²	34	71 Å²	71	28%	0.281	38%	0.383	S	S	.	.	H	α-helix	trans	-63.1	-32.7	175.4	0	0	0	0	0	112.4	P319 L321	P319-A323 WeakPolarHBondContact O-CB 3.38Å; P319-A323 PolarHBondContact O-N 3.21Å; L321-A323 VanDerWaalsContact C-N 3.35Å; L321-A323 PolarHBondContact O-N 3.19Å
324	H	79.9	Confident	78.8	Confident	25 Å²	25	68.6 Å²	68.6	12%	0.116	37%	0.371	C	S	.	.	H	α-helix	trans	-72.5	-40.8	174.9	172.8	60	0	0	0	112.8	C311 F315 N320 L321 I322 R326 T327 H328	C311-H324 PolarHBondContact SG-NE2 2.92Å; F315-H324 HydrophobicContact CE1-CB 3.93Å; F315-H324 HydrophobicContact CE2-CB 3.78Å; F315-H324 AromaticContact CE2-CD2 3.35Å; F315-H324 WeakPolarHBondContact CE2-CD2 3.45Å; F315-H324 AromaticContact CE2-CG 3.63Å; F315-H324 HydrophobicContact CZ-CB 3.35Å; F315-H324 AromaticContact CZ-CD2 3.38Å; F315-H324 WeakPolarHBondContact CZ-CD2 3.41Å; F315-H324 AromaticContact CZ-CG 3.19Å; F315-H324 AromaticContact CZ-ND1 3.87Å; N320-H324 VanDerWaalsContact O-CB 3.3Å; N320-H324 WeakPolarHBondContact O-CB 3.39Å; N320-H324 PolarHBondContact O-N 2.79Å; L321-H324 CarbonylContact O-C 3.56Å; L321-H324 WeakPolarHBondContact O-CA 2.95Å; L321-H324 WeakPolarHBondContact O-CB 3.42Å; L321-H324 PolarHBondContact O-N 3.3Å; I322-H324 PolarHBondContact O-N 2.81Å; H324-R326 PolarHBondContact O-N 3.33Å; H324-T327 PolarHBondContact ND1-OG1 3.43Å; H324-T327 VanDerWaalsContact O-CB 3.29Å; H324-T327 WeakPolarHBondContact O-CB 3.4Å; H324-T327 WeakPolarHBondContact O-CG2 3.44Å; H324-T327 PolarHBondContact O-N 3.49Å; H324-T327 PolarHBondContact O-OG1 3.44Å; H324-H328 AromaticContact CE1-NE2 3.69Å; H324-H328 AromaticContact NE2-CE1 3.94Å; H324-H328 AromaticContact NE2-NE2 3.24Å; H324-H328 PolarHBondContact NE2-NE2 3.37Å
325	Q	79.1	Confident	78.7	Confident	78 Å²	78	69.9 Å²	69.9	36%	0.364	38%	0.38	S	S	.	.	H	α-helix	trans	-58.1	-33.1	177.8	-76.6	172.7	-41.7	0	0	112	L321 I322 T327 H328 T329	L321-Q325 HydrophobicContact CD1-CG 4.18Å; L321-Q325 HydrophobicContact CG-CG 4.48Å; L321-Q325 WeakPolarHBondContact O-CG 3.43Å; L321-Q325 PolarHBondContact O-N 3.14Å; I322-Q325 PolarHBondContact O-N 2.8Å; Q325-T327 PolarHBondContact O-N 3.49Å; Q325-T327 VanDerWaalsContact O-N 3.07Å; Q325-H328 PolarHBondContact O-N 3.05Å; Q325-T329 PolarHBondContact O-N 3.44Å
326	R	80.1	Confident	78.6	Confident	64 Å²	64	67.8 Å²	67.8	24%	0.242	37%	0.371	C	S	.	.	H	α-helix	trans	-59.3	-19	172.2	-65.6	175.7	-175.5	172.7	-0.3	114.3	I322 H324 H328 T329 G330 E331 G344	I322-R326 PolarHBondContact O-N 3.12Å; H324-R326 PolarHBondContact O-N 3.33Å; R326-H328 VanDerWaalsContact C-N 3.34Å; R326-T329 WeakPolarHBondContact CA-OG1 3.43Å; R326-G330 PolarHBondContact O-N 3.24Å; R326-G330 VanDerWaalsContact O-N 3.14Å; R326-E331 HydrophobicContact CG-CB 4.44Å; R326-E331 PolarHBondContact O-N 3.42Å; R326-G344 WeakPolarHBondContact CD-O 3.49Å; R326-G344 PolarHBondContact NH1-O 3.22Å
327	T	75.3	Confident	78.3	Confident	96 Å²	96	71.3 Å²	71.3	59%	0.589	39%	0.393	S	S	*	.	H	α-helix	trans	-76.3	-23	175.3	68.3	0	0	0	0	113	H324 Q325	H324-T327 PolarHBondContact ND1-OG1 3.43Å; H324-T327 VanDerWaalsContact O-CB 3.29Å; H324-T327 WeakPolarHBondContact O-CB 3.4Å; H324-T327 WeakPolarHBondContact O-CG2 3.44Å; H324-T327 PolarHBondContact O-N 3.49Å; H324-T327 PolarHBondContact O-OG1 3.44Å; Q325-T327 PolarHBondContact O-N 3.49Å; Q325-T327 VanDerWaalsContact O-N 3.07Å
328	H	75.9	Confident	78.1	Confident	75 Å²	75	71.5 Å²	71.5	35%	0.347	40%	0.399	S	S	.	.	H	α-helix	trans	-88.3	-42.1	176.4	-58.3	-55.2	0	0	0	111.5	C308 E310 C311 H324 Q325 R326 G330	C308-H328 PolarHBondContact SG-NE2 2.79Å; C308-H328 VanDerWaalsContact SG-NE2 3.39Å; E310-H328 WeakPolarHBondContact OE2-CB 3.47Å; E310-H328 IonicContact OE2-CD2 3.33Å; E310-H328 PolarHBondContact OE2-CD2 3.34Å; E310-H328 IonicContact OE2-CG 3.04Å; E310-H328 IonicContact OE2-NE2 3.72Å; C311-H328 PolarHBondContact SG-NE2 3.46Å; C311-H328 VanDerWaalsContact SG-NE2 3.37Å; H324-H328 AromaticContact CE1-NE2 3.69Å; H324-H328 AromaticContact NE2-CE1 3.94Å; H324-H328 AromaticContact NE2-NE2 3.24Å; H324-H328 PolarHBondContact NE2-NE2 3.37Å; Q325-H328 PolarHBondContact O-N 3.05Å; R326-H328 VanDerWaalsContact C-N 3.34Å; H328-G330 PolarHBondContact O-N 3.37Å
329	T	75.4	Confident	77.8	Confident	81 Å²	81	71.8 Å²	71.8	50%	0.497	40%	0.4	S	S	.	.	H	α-helix	trans	-74.1	-15.6	177.2	63.5	0	0	0	0	113.2	Q325 R326 E331	Q325-T329 PolarHBondContact O-N 3.44Å; R326-T329 WeakPolarHBondContact CA-OG1 3.43Å; T329-E331 PolarHBondContact O-N 3.12Å; T329-E331 WeakPolarHBondContact OG1-CG 3.36Å; T329-E331 PolarHBondContact OG1-N 3.11Å
330	G	72.9	Confident	77.6	Confident	47 Å²	47	70.1 Å²	70.1	49%	0.485	40%	0.399	S	S	.	.			trans	71.3	3.6	-175	0	0	0	0	0	113.9	R326 H328 K332	R326-G330 PolarHBondContact O-N 3.24Å; R326-G330 VanDerWaalsContact O-N 3.14Å; H328-G330 PolarHBondContact O-N 3.37Å; G330-K332 PolarHBondContact O-N 3.23Å
331	E	73.4	Confident	77.4	Confident	115 Å²	115	72.4 Å²	72.4	54%	0.537	41%	0.405	S	S	.	.			trans	-60.3	122	178.2	-74.9	-176.1	175.3	0	0	110.8	R326 T329 P333	R326-E331 HydrophobicContact CG-CB 4.44Å; R326-E331 PolarHBondContact O-N 3.42Å; T329-E331 PolarHBondContact O-N 3.12Å; T329-E331 WeakPolarHBondContact OG1-CG 3.36Å; T329-E331 PolarHBondContact OG1-N 3.11Å; E331-P333 WeakPolarHBondContact O-CD 3.47Å
332	K	79.2	Confident	77.3	Confident	127 Å²	127	73.6 Å²	73.6	55%	0.552	42%	0.415	S	S	*	.			trans	-125.8	75.9	178.2	-72.6	164.9	168.6	-170.9	0	109.6	G330 Y334 S342 F343	G330-K332 PolarHBondContact O-N 3.23Å; K332-Y334 PolarHBondContact O-N 3.27Å; K332-S342 VanDerWaalsContact CB-CB 3.42Å; K332-S342 VanDerWaalsContact CD-O 3.28Å; K332-S342 WeakPolarHBondContact CD-O 3.5Å; K332-F343 CarbonylContact C-O 3.27Å; K332-F343 WeakPolarHBondContact CA-O 3.18Å
333	P	81.3	Confident	77.2	Confident	74 Å²	74	71.8 Å²	71.8	48%	0.481	40%	0.404	S	S	.	.			trans	-65.2	-14.3	-171.7	-21.7	34.3	0	0	0	114.3	E331	E331-P333 WeakPolarHBondContact O-CD 3.47Å
334	Y	79.6	Confident	77	Confident	73 Å²	73	71.3 Å²	71.3	29%	0.286	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	97.4	-174.7	-54.5	-74.9	0	0	0	110.1	K332 S342 F343 R346	K332-Y334 PolarHBondContact O-N 3.27Å; Y334-S342 CarbonylContact O-C 3.35Å; Y334-S342 WeakPolarHBondContact O-CA 3.42Å; Y334-F343 PolarHBondContact N-O 3.33Å; Y334-F343 PolarHBondContact O-N 3.1Å; Y334-R346 HydrophobicContact CD1-CB 4.18Å; Y334-R346 HydrophobicContact CE1-CB 4Å; Y334-R346 HydrophobicContact CE2-CB 4.49Å; Y334-R346 HydrophobicContact CG-CB 4.5Å
335	S	81.1	Confident	76.9	Confident	70 Å²	70	73 Å²	73	49%	0.49	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	142.7	176.5	52.4	0	0	0	0	112
336	C	80.3	Confident	76.7	Confident	1 Å²	1	75.6 Å²	75.6	1%	0.007	42%	0.419	C	S	.	.			trans	-79.4	120.9	169.5	179.5	0	0	0	0	108.9	E338 C339 G340 K341 F343 L349 H356	C336-E338 PolarHBondContact O-N 3.08Å; C336-C339 VanDerWaalsContact SG-SG 3.68Å; C336-G340 VanDerWaalsContact O-CA 3.27Å; C336-G340 WeakPolarHBondContact O-CA 3.31Å; C336-G340 PolarHBondContact O-N 3.07Å; C336-K341 WeakPolarHBondContact CB-O 3.43Å; C336-K341 PolarHBondContact N-O 3.31Å; C336-F343 HydrophobicContact CB-CE2 4.36Å; C336-L349 HydrophobicContact CB-CD1 3.7Å; C336-H356 VanDerWaalsContact SG-CD2 3.58Å; C336-H356 PolarHBondContact SG-NE2 3.42Å; C336-H356 VanDerWaalsContact SG-NE2 3.38Å
337	P	74.2	Confident	76.5	Confident	106 Å²	106	76.8 Å²	76.8	69%	0.688	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.9	-178.8	24.8	-32.3	0	0	0	112.8
338	E	75.6	Confident	76.4	Confident	120 Å²	120	74.3 Å²	74.3	56%	0.561	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-29.9	-173.7	-66.4	174.3	-145.4	0	0	114.2	C336 H356	C336-E338 PolarHBondContact O-N 3.08Å; E338-H356 WeakPolarHBondContact OE2-CB 3.34Å; E338-H356 IonicContact OE2-CD2 3.29Å; E338-H356 IonicContact OE2-CG 3.06Å
339	C	73.8	Confident	76.6	Confident	53 Å²	53	70.8 Å²	70.8	36%	0.358	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.5	5.2	-178.2	73.1	0	0	0	0	114.6	C336 K341 H352 H356	C336-C339 VanDerWaalsContact SG-SG 3.68Å; C339-K341 PolarHBondContact O-N 3.45Å; C339-H352 PolarHBondContact SG-NE2 3.44Å; C339-H356 PolarHBondContact SG-CE1 2.77Å; C339-H356 PolarHBondContact SG-NE2 2.81Å
340	G	74.8	Confident	76.6	Confident	54 Å²	54	71 Å²	71	56%	0.557	41%	0.405	S	S	*	.			trans	68.2	-3.5	179.6	0	0	0	0	0	115.4	C336 S342	C336-G340 VanDerWaalsContact O-CA 3.27Å; C336-G340 WeakPolarHBondContact O-CA 3.31Å; C336-G340 PolarHBondContact O-N 3.07Å; G340-S342 PolarHBondContact O-N 3.15Å; G340-S342 PolarHBondContact O-OG 3.47Å
341	K	74.4	Confident	76.4	Confident	129 Å²	129	71.1 Å²	71.1	56%	0.561	40%	0.397	S	S	*	.			trans	-64.6	130.6	179.1	-74.8	-179.3	179.8	174.4	0	110.6	C336 C339 F343	C336-K341 WeakPolarHBondContact CB-O 3.43Å; C336-K341 PolarHBondContact N-O 3.31Å; C339-K341 PolarHBondContact O-N 3.45Å; K341-F343 HydrophobicContact CB-CE2 3.97Å; K341-F343 HydrophobicContact CB-CZ 4.02Å; K341-F343 VanDerWaalsContact O-CE2 3.25Å; K341-F343 WeakPolarHBondContact O-CE2 3.38Å
342	S	79.7	Confident	76.5	Confident	45 Å²	45	66.4 Å²	66.4	32%	0.315	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	144.2	-175.3	-57.3	0	0	0	0	111.9	K332 Y334 G340	K332-S342 VanDerWaalsContact CB-CB 3.42Å; K332-S342 VanDerWaalsContact CD-O 3.28Å; K332-S342 WeakPolarHBondContact CD-O 3.5Å; Y334-S342 CarbonylContact O-C 3.35Å; Y334-S342 WeakPolarHBondContact O-CA 3.42Å; G340-S342 PolarHBondContact O-N 3.15Å; G340-S342 PolarHBondContact O-OG 3.47Å
343	F	77.3	Confident	76.2	Confident	41 Å²	41	62.7 Å²	62.7	18%	0.18	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	146.9	-173.5	-57.6	-88.9	0	0	0	111.1	K332 Y334 C336 K341 N345 L349 H352	K332-F343 CarbonylContact C-O 3.27Å; K332-F343 WeakPolarHBondContact CA-O 3.18Å; Y334-F343 PolarHBondContact N-O 3.33Å; Y334-F343 PolarHBondContact O-N 3.1Å; C336-F343 HydrophobicContact CB-CE2 4.36Å; K341-F343 HydrophobicContact CB-CE2 3.97Å; K341-F343 HydrophobicContact CB-CZ 4.02Å; K341-F343 VanDerWaalsContact O-CE2 3.25Å; K341-F343 WeakPolarHBondContact O-CE2 3.38Å; F343-N345 VanDerWaalsContact C-N 3.31Å; F343-N345 PolarHBondContact O-N 3.11Å; F343-L349 HydrophobicContact CB-CB 4.31Å; F343-L349 HydrophobicContact CD2-CB 3.89Å; F343-L349 HydrophobicContact CD2-CD1 3.72Å; F343-L349 HydrophobicContact CD2-CG 4.41Å; F343-L349 HydrophobicContact CE2-CD1 3.9Å; F343-L349 HydrophobicContact CG-CB 4.26Å; F343-H352 HydrophobicContact CE1-CB 3.89Å; F343-H352 HydrophobicContact CE2-CB 3.85Å; F343-H352 AromaticContact CE2-CD2 3.33Å; F343-H352 WeakPolarHBondContact CE2-CD2 3.21Å; F343-H352 AromaticContact CE2-CG 3.58Å; F343-H352 HydrophobicContact CZ-CB 3.4Å; F343-H352 VanDerWaalsContact CZ-CB 3.4Å; F343-H352 AromaticContact CZ-CD2 3.34Å; F343-H352 WeakPolarHBondContact CZ-CD2 3.43Å; F343-H352 AromaticContact CZ-CG 3.12Å; F343-H352 AromaticContact CZ-ND1 3.63Å; F343-H352 AromaticContact CZ-NE2 3.9Å
344	G	73.1	Confident	75.5	Confident	23 Å²	23	60 Å²	60	24%	0.237	34%	0.344	C	S	.	.	S	Bend	trans	-76.7	-14.8	179	0	0	0	0	0	114.3	R326	R326-G344 WeakPolarHBondContact CD-O 3.49Å; R326-G344 PolarHBondContact NH1-O 3.22Å
345	N	77.8	Confident	75	Confident	60 Å²	60	61.8 Å²	61.8	32%	0.321	36%	0.358	S	S	.	.	S	Bend	trans	-139.4	156.2	178.7	71.9	50.4	0	0	0	111.5	F343 S347 S348 L349	F343-N345 VanDerWaalsContact C-N 3.31Å; F343-N345 PolarHBondContact O-N 3.11Å; N345-S347 PolarHBondContact OD1-N 2.8Å; N345-S348 PolarHBondContact ND2-OG 2.78Å; N345-S348 WeakPolarHBondContact OD1-CA 3.4Å; N345-S348 WeakPolarHBondContact OD1-CB 3.46Å; N345-S348 PolarHBondContact OD1-N 3.19Å; N345-S348 PolarHBondContact OD1-OG 3.4Å; N345-L349 PolarHBondContact O-N 3.11Å
346	R	76.3	Confident	74.3	Confident	133 Å²	133	61.8 Å²	61.8	50%	0.502	35%	0.35	S	S	.	.	H	α-helix	trans	-71.1	-35.9	-177.3	-174.8	64.3	-178	-169.7	-0.8	112.8	Y334 S348 L349 N350	Y334-R346 HydrophobicContact CD1-CB 4.18Å; Y334-R346 HydrophobicContact CE1-CB 4Å; Y334-R346 HydrophobicContact CE2-CB 4.49Å; Y334-R346 HydrophobicContact CG-CB 4.5Å; R346-S348 PolarHBondContact O-N 3.12Å; R346-L349 PolarHBondContact O-N 2.86Å; R346-N350 PolarHBondContact NE-OD1 3.11Å; R346-N350 PolarHBondContact O-N 3.11Å; R346-N350 PolarHBondContact O-OD1 2.95Å
347	S	74.5	Confident	73.6	Confident	89 Å²	89	65.5 Å²	65.5	62%	0.622	37%	0.373	S	S	*	.	H	α-helix	trans	-62.4	-41.6	-179.5	-55.9	0	0	0	0	112.2	N345 N350 T351	N345-S347 PolarHBondContact OD1-N 2.8Å; S347-N350 PolarHBondContact O-N 3.2Å; S347-T351 WeakPolarHBondContact O-CG2 3.5Å; S347-T351 PolarHBondContact O-N 3.5Å; S347-T351 PolarHBondContact O-OG1 3.27Å
348	S	74.7	Confident	73.1	Confident	45 Å²	45	63 Å²	63	32%	0.315	37%	0.366	S	S	.	.	H	α-helix	trans	-66.5	-37.5	176.3	-66.7	0	0	0	0	112.2	N345 R346 T351 H352	N345-S348 PolarHBondContact ND2-OG 2.78Å; N345-S348 WeakPolarHBondContact OD1-CA 3.4Å; N345-S348 WeakPolarHBondContact OD1-CB 3.46Å; N345-S348 PolarHBondContact OD1-N 3.19Å; N345-S348 PolarHBondContact OD1-OG 3.4Å; R346-S348 PolarHBondContact O-N 3.12Å; S348-T351 VanDerWaalsContact CA-OG1 3.28Å; S348-T351 WeakPolarHBondContact CA-OG1 3.48Å; S348-T351 PolarHBondContact O-OG1 3.43Å; S348-H352 VanDerWaalsContact O-CB 3.24Å; S348-H352 WeakPolarHBondContact O-CB 3.25Å; S348-H352 PolarHBondContact O-N 2.75Å
349	L	79.3	Confident	72.6	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.005	37%	0.368	C	S	.	.	H	α-helix	trans	-62.5	-49.4	171.7	172.8	62.6	0	0	0	110.8	C336 F343 N345 R346 T351 H352 Q353	C336-L349 HydrophobicContact CB-CD1 3.7Å; F343-L349 HydrophobicContact CB-CB 4.31Å; F343-L349 HydrophobicContact CD2-CB 3.89Å; F343-L349 HydrophobicContact CD2-CD1 3.72Å; F343-L349 HydrophobicContact CD2-CG 4.41Å; F343-L349 HydrophobicContact CE2-CD1 3.9Å; F343-L349 HydrophobicContact CG-CB 4.26Å; N345-L349 PolarHBondContact O-N 3.11Å; R346-L349 PolarHBondContact O-N 2.86Å; L349-T351 VanDerWaalsContact C-N 3.3Å; L349-T351 PolarHBondContact O-N 3.48Å; L349-H352 CarbonylContact O-C 3.55Å; L349-H352 WeakPolarHBondContact O-CA 3.29Å; L349-H352 WeakPolarHBondContact O-CB 3.31Å; L349-H352 PolarHBondContact O-N 3.14Å; L349-Q353 HydrophobicContact CD1-CG 4.05Å; L349-Q353 HydrophobicContact CG-CG 4.4Å; L349-Q353 WeakPolarHBondContact O-CG 2.87Å; L349-Q353 PolarHBondContact O-N 2.84Å
350	N	74.4	Confident	72.5	Confident	84 Å²	84	66.1 Å²	66.1	45%	0.449	37%	0.374	S	S	.	.	H	α-helix	trans	-58.2	-43.2	178.9	-72.8	7.4	0	0	0	111.5	R346 S347 H352 Q353 G354	R346-N350 PolarHBondContact NE-OD1 3.11Å; R346-N350 PolarHBondContact O-N 3.11Å; R346-N350 PolarHBondContact O-OD1 2.95Å; S347-N350 PolarHBondContact O-N 3.2Å; N350-H352 VanDerWaalsContact C-N 3.29Å; N350-H352 PolarHBondContact O-N 3.48Å; N350-Q353 PolarHBondContact O-N 2.99Å; N350-G354 PolarHBondContact O-N 3.17Å
351	T	70.1	Confident	72.5	Confident	51 Å²	51	67.9 Å²	67.9	31%	0.313	38%	0.376	S	S	.	.	H	α-helix	trans	-67.5	-30.5	176.1	54.6	0	0	0	0	113	S347 S348 L349 Y373	S347-T351 WeakPolarHBondContact O-CG2 3.5Å; S347-T351 PolarHBondContact O-N 3.5Å; S347-T351 PolarHBondContact O-OG1 3.27Å; S348-T351 VanDerWaalsContact CA-OG1 3.28Å; S348-T351 WeakPolarHBondContact CA-OG1 3.48Å; S348-T351 PolarHBondContact O-OG1 3.43Å; L349-T351 VanDerWaalsContact C-N 3.3Å; L349-T351 PolarHBondContact O-N 3.48Å; T351-Y373 WeakPolarHBondContact CB-OH 3.38Å; T351-Y373 HydrophobicContact CG2-CE1 3.63Å; T351-Y373 PolarHBondContact OG1-OH 3.45Å
352	H	75.9	Confident	72.7	Confident	16 Å²	16	66.2 Å²	66.2	7%	0.074	37%	0.367	C	S	.	.	H	α-helix	trans	-74.1	-36.3	176.4	170.3	69.5	0	0	0	112	C339 F343 S348 L349 N350 G354 I355 H356	C339-H352 PolarHBondContact SG-NE2 3.44Å; F343-H352 HydrophobicContact CE1-CB 3.89Å; F343-H352 HydrophobicContact CE2-CB 3.85Å; F343-H352 AromaticContact CE2-CD2 3.33Å; F343-H352 WeakPolarHBondContact CE2-CD2 3.21Å; F343-H352 AromaticContact CE2-CG 3.58Å; F343-H352 HydrophobicContact CZ-CB 3.4Å; F343-H352 VanDerWaalsContact CZ-CB 3.4Å; F343-H352 AromaticContact CZ-CD2 3.34Å; F343-H352 WeakPolarHBondContact CZ-CD2 3.43Å; F343-H352 AromaticContact CZ-CG 3.12Å; F343-H352 AromaticContact CZ-ND1 3.63Å; F343-H352 AromaticContact CZ-NE2 3.9Å; S348-H352 VanDerWaalsContact O-CB 3.24Å; S348-H352 WeakPolarHBondContact O-CB 3.25Å; S348-H352 PolarHBondContact O-N 2.75Å; L349-H352 CarbonylContact O-C 3.55Å; L349-H352 WeakPolarHBondContact O-CA 3.29Å; L349-H352 WeakPolarHBondContact O-CB 3.31Å; L349-H352 PolarHBondContact O-N 3.14Å; N350-H352 VanDerWaalsContact C-N 3.29Å; N350-H352 PolarHBondContact O-N 3.48Å; H352-G354 PolarHBondContact O-N 2.87Å; H352-I355 WeakPolarHBondContact O-CB 3.35Å; H352-I355 WeakPolarHBondContact O-CG1 3.49Å; H352-I355 PolarHBondContact O-N 3.07Å; H352-H356 AromaticContact CD2-NE2 3.87Å; H352-H356 AromaticContact CE1-NE2 3.6Å; H352-H356 AromaticContact NE2-CD2 3.99Å; H352-H356 AromaticContact NE2-CE1 3.94Å; H352-H356 AromaticContact NE2-NE2 3.08Å; H352-H356 PolarHBondContact NE2-NE2 3.48Å
353	Q	71.1	Confident	72.7	Confident	49 Å²	49	69.7 Å²	69.7	23%	0.229	38%	0.378	C	S	.	.	H	α-helix	trans	-59.8	-31.9	175.8	-73.7	177.9	-59	0	0	111.9	L349 N350 I355 H356 T357	L349-Q353 HydrophobicContact CD1-CG 4.05Å; L349-Q353 HydrophobicContact CG-CG 4.4Å; L349-Q353 WeakPolarHBondContact O-CG 2.87Å; L349-Q353 PolarHBondContact O-N 2.84Å; N350-Q353 PolarHBondContact O-N 2.99Å; Q353-I355 PolarHBondContact O-N 3.43Å; Q353-I355 VanDerWaalsContact O-N 3.09Å; Q353-H356 PolarHBondContact O-N 2.83Å; Q353-T357 PolarHBondContact O-N 2.78Å
354	G	68.6	Low	73.1	Confident	16 Å²	16	67.8 Å²	67.8	17%	0.165	37%	0.369	C	S	.	.	H	α-helix	trans	-59.3	-17.7	171	0	0	0	0	0	115	N350 H352 T357 G358 E359	N350-G354 PolarHBondContact O-N 3.17Å; H352-G354 PolarHBondContact O-N 2.87Å; G354-T357 WeakPolarHBondContact CA-OG1 3.3Å; G354-G358 PolarHBondContact O-N 3.49Å; G354-E359 PolarHBondContact O-N 3.33Å
355	I	67.6	Low	73.6	Confident	111 Å²	111	76.6 Å²	76.6	57%	0.569	40%	0.401	S	S	*	.	H	α-helix	trans	-73	-36	174.2	-58.3	178.6	0	0	0	110.8	H352 Q353	H352-I355 WeakPolarHBondContact O-CB 3.35Å; H352-I355 WeakPolarHBondContact O-CG1 3.49Å; H352-I355 PolarHBondContact O-N 3.07Å; Q353-I355 PolarHBondContact O-N 3.43Å; Q353-I355 VanDerWaalsContact O-N 3.09Å
356	H	66.7	Low	73.8	Confident	71 Å²	71	79.7 Å²	79.7	33%	0.329	41%	0.414	S	S	.	.	H	α-helix	trans	-82.7	-35.6	-177.4	-57	-60.2	0	0	0	112.5	C336 E338 C339 H352 Q353 G358	C336-H356 VanDerWaalsContact SG-CD2 3.58Å; C336-H356 PolarHBondContact SG-NE2 3.42Å; C336-H356 VanDerWaalsContact SG-NE2 3.38Å; E338-H356 WeakPolarHBondContact OE2-CB 3.34Å; E338-H356 IonicContact OE2-CD2 3.29Å; E338-H356 IonicContact OE2-CG 3.06Å; C339-H356 PolarHBondContact SG-CE1 2.77Å; C339-H356 PolarHBondContact SG-NE2 2.81Å; H352-H356 AromaticContact CD2-NE2 3.87Å; H352-H356 AromaticContact CE1-NE2 3.6Å; H352-H356 AromaticContact NE2-CD2 3.99Å; H352-H356 AromaticContact NE2-CE1 3.94Å; H352-H356 AromaticContact NE2-NE2 3.08Å; H352-H356 PolarHBondContact NE2-NE2 3.48Å; Q353-H356 PolarHBondContact O-N 2.83Å; H356-G358 PolarHBondContact O-N 3.22Å
357	T	66.1	Low	74.1	Confident	78 Å²	78	76.2 Å²	76.2	48%	0.479	41%	0.409	S	S	.	.	S	Bend	trans	-71.3	-13	173.3	60.9	0	0	0	0	112.3	Q353 G354 E359	Q353-T357 PolarHBondContact O-N 2.78Å; G354-T357 WeakPolarHBondContact CA-OG1 3.3Å; T357-E359 PolarHBondContact O-N 3.36Å; T357-E359 VanDerWaalsContact O-N 3.09Å; T357-E359 WeakPolarHBondContact OG1-CB 3.49Å; T357-E359 WeakPolarHBondContact OG1-CG 3.35Å; T357-E359 PolarHBondContact OG1-N 2.89Å
358	G	64.3	Low	74.3	Confident	54 Å²	54	73.9 Å²	73.9	56%	0.557	40%	0.399	S	S	*	.			trans	66.6	3.3	-173.2	0	0	0	0	0	113.2	G354 H356 K360	G354-G358 PolarHBondContact O-N 3.49Å; H356-G358 PolarHBondContact O-N 3.22Å; G358-K360 PolarHBondContact O-N 3.18Å
359	E	64.4	Low	74.4	Confident	126 Å²	126	76.8 Å²	76.8	59%	0.589	41%	0.408	S	S	*	.			trans	-66.8	111	179.4	-69.5	178.3	164.6	0	0	108.6	G354 T357 P361	G354-E359 PolarHBondContact O-N 3.33Å; T357-E359 PolarHBondContact O-N 3.36Å; T357-E359 VanDerWaalsContact O-N 3.09Å; T357-E359 WeakPolarHBondContact OG1-CB 3.49Å; T357-E359 WeakPolarHBondContact OG1-CG 3.35Å; T357-E359 PolarHBondContact OG1-N 2.89Å; E359-P361 WeakPolarHBondContact O-CD 3.48Å
360	K	71.9	Confident	74.4	Confident	112 Å²	112	78.5 Å²	78.5	49%	0.487	42%	0.42	S	S	.	.			trans	-112.7	82.8	168.3	-64.8	-165.6	-165.1	168.3	0	106.7	G358 Y362 S370 F371	G358-K360 PolarHBondContact O-N 3.18Å; K360-Y362 PolarHBondContact O-N 3.01Å; K360-S370 VanDerWaalsContact CD-C 3.48Å; K360-S370 WeakPolarHBondContact CD-O 3.44Å; K360-S370 PolarHBondContact NZ-O 2.98Å; K360-S370 WeakPolarHBondContact O-CB 3.46Å; K360-F371 CarbonylContact C-O 3.57Å; K360-F371 WeakPolarHBondContact CA-O 3.48Å
361	P	73.8	Confident	74.6	Confident	92 Å²	92	76.3 Å²	76.3	60%	0.597	41%	0.407	S	S	*	.			trans	-65	-11.6	-167	-21.9	34.7	0	0	0	113.9	E359	E359-P361 WeakPolarHBondContact O-CD 3.48Å
362	Y	78.6	Confident	74.7	Confident	94 Å²	94	76 Å²	76	37%	0.369	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	90.3	-173.4	-53.6	-71.8	0	0	0	109.9	K360 S370 F371 Y373 N374	K360-Y362 PolarHBondContact O-N 3.01Å; Y362-S370 CarbonylContact O-C 3.55Å; Y362-S370 WeakPolarHBondContact O-CA 3.23Å; Y362-F371 WeakPolarHBondContact CB-O 3.38Å; Y362-F371 WeakPolarHBondContact CD2-O 3.48Å; Y362-F371 PolarHBondContact N-O 3.34Å; Y362-F371 PolarHBondContact O-N 3.4Å; Y362-Y373 VanDerWaalsContact CD2-C 3.45Å; Y362-N374 HydrophobicContact CD1-CB 3.74Å; Y362-N374 HydrophobicContact CD2-CB 4.38Å; Y362-N374 VanDerWaalsContact CD2-N 3.26Å; Y362-N374 HydrophobicContact CE1-CB 3.66Å; Y362-N374 HydrophobicContact CE2-CB 4.28Å; Y362-N374 HydrophobicContact CG-CB 4.11Å
363	E	80.4	Confident	74.6	Confident	118 Å²	118	80.2 Å²	80.2	55%	0.551	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	136.9	178.7	-171.1	-179.7	159.6	0	0	112.6	K365	E363-K365 PolarHBondContact O-N 3.29Å
364	C	85.4	Confident	74.8	Confident	0 Å²	0	81.5 Å²	81.5	0%	0	43%	0.431	C	S	.	.			trans	-80	113.4	169.2	-178.9	0	0	0	0	110.4	E366 C367 G368 E369 F371 L377 H384	C364-E366 PolarHBondContact O-N 3.24Å; C364-E366 VanDerWaalsContact O-N 3.16Å; C364-C367 PolarHBondContact O-N 3.19Å; C364-C367 VanDerWaalsContact SG-SG 3.61Å; C364-G368 VanDerWaalsContact O-CA 3.28Å; C364-G368 WeakPolarHBondContact O-CA 3.29Å; C364-G368 PolarHBondContact O-N 2.95Å; C364-E369 WeakPolarHBondContact CB-O 3.2Å; C364-E369 PolarHBondContact N-O 2.81Å; C364-F371 HydrophobicContact CB-CE2 4.34Å; C364-L377 HydrophobicContact CB-CD1 3.61Å; C364-H384 PolarHBondContact SG-NE2 3.38Å
365	K	83.2	Confident	75.2	Confident	208 Å²	208	84.5 Å²	84.5	90%	0.904	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.9	179.3	-63.6	-172.2	175.9	-173.3	0	114.6	E363	E363-K365 PolarHBondContact O-N 3.29Å
366	E	82.3	Confident	76	Confident	126 Å²	126	81.3 Å²	81.3	59%	0.589	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-29	-176.1	-68.6	172.4	140.1	0	0	113.6	C364 H384	C364-E366 PolarHBondContact O-N 3.24Å; C364-E366 VanDerWaalsContact O-N 3.16Å; E366-H384 WeakPolarHBondContact OE2-CB 3.32Å; E366-H384 IonicContact OE2-CD2 3.5Å; E366-H384 PolarHBondContact OE2-CD2 3.11Å; E366-H384 IonicContact OE2-CG 3.93Å
367	C	82	Confident	76.8	Confident	59 Å²	59	78.6 Å²	78.6	40%	0.399	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.9	-0.1	-177	69.7	0	0	0	0	114.7	C364 E369 H380 H384	C364-C367 PolarHBondContact O-N 3.19Å; C364-C367 VanDerWaalsContact SG-SG 3.61Å; C367-E369 PolarHBondContact O-N 3.43Å; C367-H380 VanDerWaalsContact SG-CE1 3.55Å; C367-H380 PolarHBondContact SG-NE2 3.16Å; C367-H384 PolarHBondContact SG-NE2 3.45Å
368	G	78.9	Confident	77.7	Confident	40 Å²	40	78.5 Å²	78.5	41%	0.412	42%	0.417	S	S	.	.			trans	70.6	1.3	-178.4	0	0	0	0	0	114.6	C364 S370	C364-G368 VanDerWaalsContact O-CA 3.28Å; C364-G368 WeakPolarHBondContact O-CA 3.29Å; C364-G368 PolarHBondContact O-N 2.95Å; G368-S370 PolarHBondContact O-N 3.15Å
369	E	77.4	Confident	78.7	Confident	106 Å²	106	81 Å²	81	50%	0.495	41%	0.41	S	S	.	.			trans	-69.2	123.5	177.2	-75.3	-159.7	155.5	0	0	111	C364 C367 F371 H380	C364-E369 WeakPolarHBondContact CB-O 3.2Å; C364-E369 PolarHBondContact N-O 2.81Å; C367-E369 PolarHBondContact O-N 3.43Å; E369-F371 HydrophobicContact CB-CE2 3.96Å; E369-F371 HydrophobicContact CB-CZ 3.93Å; E369-F371 VanDerWaalsContact O-CE2 3.24Å; E369-F371 WeakPolarHBondContact O-CE2 3.43Å; E369-H380 IonicContact OE2-CE1 3.24Å; E369-H380 PolarHBondContact OE2-CE1 3.11Å; E369-H380 IonicContact OE2-ND1 3.2Å; E369-H380 PolarHBondContact OE2-ND1 2.81Å
370	S	79.6	Confident	79.7	Confident	38 Å²	38	76 Å²	76	27%	0.266	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	146.1	176.7	-33	0	0	0	0	112.1	K360 Y362 G368	K360-S370 VanDerWaalsContact CD-C 3.48Å; K360-S370 WeakPolarHBondContact CD-O 3.44Å; K360-S370 PolarHBondContact NZ-O 2.98Å; K360-S370 WeakPolarHBondContact O-CB 3.46Å; Y362-S370 CarbonylContact O-C 3.55Å; Y362-S370 WeakPolarHBondContact O-CA 3.23Å; G368-S370 PolarHBondContact O-N 3.15Å
371	F	77.8	Confident	80.3	Confident	38 Å²	38	74.1 Å²	74.1	17%	0.167	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	147.6	-178.3	-58.6	-85.9	0	0	0	111.7	K360 Y362 C364 E369 Y373 N376 L377 H380	K360-F371 CarbonylContact C-O 3.57Å; K360-F371 WeakPolarHBondContact CA-O 3.48Å; Y362-F371 WeakPolarHBondContact CB-O 3.38Å; Y362-F371 WeakPolarHBondContact CD2-O 3.48Å; Y362-F371 PolarHBondContact N-O 3.34Å; Y362-F371 PolarHBondContact O-N 3.4Å; C364-F371 HydrophobicContact CB-CE2 4.34Å; E369-F371 HydrophobicContact CB-CE2 3.96Å; E369-F371 HydrophobicContact CB-CZ 3.93Å; E369-F371 VanDerWaalsContact O-CE2 3.24Å; E369-F371 WeakPolarHBondContact O-CE2 3.43Å; F371-Y373 VanDerWaalsContact C-N 3.27Å; F371-Y373 PolarHBondContact O-N 3.31Å; F371-N376 HydrophobicContact CB-CB 4.19Å; F371-N376 HydrophobicContact CD1-CB 3.95Å; F371-N376 HydrophobicContact CG-CB 4.26Å; F371-L377 HydrophobicContact CB-CB 4.35Å; F371-L377 HydrophobicContact CD2-CB 3.8Å; F371-L377 HydrophobicContact CD2-CD1 3.76Å; F371-L377 HydrophobicContact CD2-CG 4.39Å; F371-L377 HydrophobicContact CE2-CD1 3.94Å; F371-L377 HydrophobicContact CG-CB 4.29Å; F371-H380 HydrophobicContact CE1-CB 4Å; F371-H380 HydrophobicContact CE2-CB 3.77Å; F371-H380 AromaticContact CE2-CD2 3.77Å; F371-H380 AromaticContact CE2-CG 3.59Å; F371-H380 HydrophobicContact CZ-CB 3.43Å; F371-H380 VanDerWaalsContact CZ-CB 3.43Å; F371-H380 AromaticContact CZ-CD2 3.85Å; F371-H380 AromaticContact CZ-CE1 3.94Å; F371-H380 AromaticContact CZ-CG 3.24Å; F371-H380 AromaticContact CZ-ND1 3.33Å; F371-H380 VanDerWaalsContact CZ-ND1 3.33Å; F371-H380 WeakPolarHBondContact CZ-ND1 3.4Å
372	S	72.4	Confident	81	Confident	45 Å²	45	72.4 Å²	72.4	32%	0.315	36%	0.361	S	S	.	.	S	Bend	trans	-76.9	-12.3	175.1	-45.5	0	0	0	0	113.5
373	Y	73.3	Confident	81.3	Confident	103 Å²	103	73.8 Å²	73.8	40%	0.404	37%	0.373	S	S	.	.	S	Bend	trans	-136.4	133.9	-179.3	-59.9	-87.9	0	0	0	110.9	T351 Y362 F371 S375 N376 L377	T351-Y373 WeakPolarHBondContact CB-OH 3.38Å; T351-Y373 HydrophobicContact CG2-CE1 3.63Å; T351-Y373 PolarHBondContact OG1-OH 3.45Å; Y362-Y373 VanDerWaalsContact CD2-C 3.45Å; F371-Y373 VanDerWaalsContact C-N 3.27Å; F371-Y373 PolarHBondContact O-N 3.31Å; Y373-S375 PolarHBondContact O-N 3.27Å; Y373-N376 WeakPolarHBondContact O-CB 3.44Å; Y373-N376 PolarHBondContact O-N 3.3Å; Y373-L377 PolarHBondContact O-N 3.39Å
374	N	75.6	Confident	81.5	Confident	77 Å²	77	71.7 Å²	71.7	41%	0.412	36%	0.364	S	S	.	.	H	α-helix	trans	-57.2	-38	175.6	-170.6	37.6	0	0	0	112.5	Y362 N376 L377 I378	Y362-N374 HydrophobicContact CD1-CB 3.74Å; Y362-N374 HydrophobicContact CD2-CB 4.38Å; Y362-N374 VanDerWaalsContact CD2-N 3.26Å; Y362-N374 HydrophobicContact CE1-CB 3.66Å; Y362-N374 HydrophobicContact CE2-CB 4.28Å; Y362-N374 HydrophobicContact CG-CB 4.11Å; N374-N376 PolarHBondContact O-N 2.87Å; N374-L377 WeakPolarHBondContact O-CB 3.45Å; N374-L377 PolarHBondContact O-N 2.88Å; N374-L377 VanDerWaalsContact O-N 3.14Å; N374-I378 WeakPolarHBondContact O-CG1 3.07Å; N374-I378 PolarHBondContact O-N 3.1Å
375	S	78.3	Confident	81.5	Confident	78 Å²	78	75.5 Å²	75.5	55%	0.545	39%	0.387	S	S	.	.	H	α-helix	trans	-61	-30.8	176.8	59	0	0	0	0	113.2	Y373 R379	Y373-S375 PolarHBondContact O-N 3.27Å; S375-R379 WeakPolarHBondContact O-CB 3.49Å; S375-R379 PolarHBondContact O-N 3.19Å; S375-R379 VanDerWaalsContact O-N 3.16Å
376	N	82.9	Confident	81.6	Confident	45 Å²	45	67.8 Å²	67.8	24%	0.241	37%	0.366	C	S	.	.	H	α-helix	trans	-76.6	-39	176.3	-69.7	-18.6	0	0	0	111.1	F371 Y373 N374 R379 H380	F371-N376 HydrophobicContact CB-CB 4.19Å; F371-N376 HydrophobicContact CD1-CB 3.95Å; F371-N376 HydrophobicContact CG-CB 4.26Å; Y373-N376 WeakPolarHBondContact O-CB 3.44Å; Y373-N376 PolarHBondContact O-N 3.3Å; N374-N376 PolarHBondContact O-N 2.87Å; N376-R379 PolarHBondContact O-N 3.21Å; N376-R379 PolarHBondContact OD1-NH2 3.28Å; N376-H380 WeakPolarHBondContact O-CB 3.43Å; N376-H380 PolarHBondContact O-N 3.46Å
377	L	84.2	Confident	81.7	Confident	14 Å²	14	67.1 Å²	67.1	7%	0.073	36%	0.363	C	S	.	.	H	α-helix	trans	-59.4	-51.1	172.5	172.8	62.2	0	0	0	111.1	C364 F371 Y373 N374 R379 H380 Q381	C364-L377 HydrophobicContact CB-CD1 3.61Å; F371-L377 HydrophobicContact CB-CB 4.35Å; F371-L377 HydrophobicContact CD2-CB 3.8Å; F371-L377 HydrophobicContact CD2-CD1 3.76Å; F371-L377 HydrophobicContact CD2-CG 4.39Å; F371-L377 HydrophobicContact CE2-CD1 3.94Å; F371-L377 HydrophobicContact CG-CB 4.29Å; Y373-L377 PolarHBondContact O-N 3.39Å; N374-L377 WeakPolarHBondContact O-CB 3.45Å; N374-L377 PolarHBondContact O-N 2.88Å; N374-L377 VanDerWaalsContact O-N 3.14Å; L377-R379 PolarHBondContact O-N 2.96Å; L377-H380 CarbonylContact O-C 3.41Å; L377-H380 WeakPolarHBondContact O-CA 3.47Å; L377-H380 WeakPolarHBondContact O-CB 3.49Å; L377-H380 PolarHBondContact O-N 3.29Å; L377-Q381 HydrophobicContact CD1-CG 4.21Å; L377-Q381 WeakPolarHBondContact O-CG 3.4Å; L377-Q381 PolarHBondContact O-N 3.05Å
378	I	83.9	Confident	82	Confident	76 Å²	76	69.5 Å²	69.5	39%	0.39	37%	0.367	S	S	.	.	H	α-helix	trans	-57.5	-40.8	177.6	-67	168.4	0	0	0	110.9	N374	N374-I378 WeakPolarHBondContact O-CG1 3.07Å; N374-I378 PolarHBondContact O-N 3.1Å
379	R	85.5	Confident	82.4	Confident	107 Å²	107	70.6 Å²	70.6	40%	0.404	37%	0.366	S	S	.	.	H	α-helix	trans	-68.1	-36.8	176.4	-175.7	176.6	67.6	-164.6	-8.2	112.4	S375 N376 L377 R382 Q401	S375-R379 WeakPolarHBondContact O-CB 3.49Å; S375-R379 PolarHBondContact O-N 3.19Å; S375-R379 VanDerWaalsContact O-N 3.16Å; N376-R379 PolarHBondContact O-N 3.21Å; N376-R379 PolarHBondContact OD1-NH2 3.28Å; L377-R379 PolarHBondContact O-N 2.96Å; R379-R382 WeakPolarHBondContact O-CB 3.46Å; R379-Q401 HydrophobicContact CG-CG 4.34Å
380	H	86.6	Confident	82.9	Confident	19 Å²	19	69.3 Å²	69.3	9%	0.088	36%	0.358	C	S	.	.	H	α-helix	trans	-68	-41.2	176.6	167.1	94.8	0	0	0	111.4	C367 E369 F371 N376 L377 R382 I383 H384	C367-H380 VanDerWaalsContact SG-CE1 3.55Å; C367-H380 PolarHBondContact SG-NE2 3.16Å; E369-H380 IonicContact OE2-CE1 3.24Å; E369-H380 PolarHBondContact OE2-CE1 3.11Å; E369-H380 IonicContact OE2-ND1 3.2Å; E369-H380 PolarHBondContact OE2-ND1 2.81Å; F371-H380 HydrophobicContact CE1-CB 4Å; F371-H380 HydrophobicContact CE2-CB 3.77Å; F371-H380 AromaticContact CE2-CD2 3.77Å; F371-H380 AromaticContact CE2-CG 3.59Å; F371-H380 HydrophobicContact CZ-CB 3.43Å; F371-H380 VanDerWaalsContact CZ-CB 3.43Å; F371-H380 AromaticContact CZ-CD2 3.85Å; F371-H380 AromaticContact CZ-CE1 3.94Å; F371-H380 AromaticContact CZ-CG 3.24Å; F371-H380 AromaticContact CZ-ND1 3.33Å; F371-H380 VanDerWaalsContact CZ-ND1 3.33Å; F371-H380 WeakPolarHBondContact CZ-ND1 3.4Å; N376-H380 WeakPolarHBondContact O-CB 3.43Å; N376-H380 PolarHBondContact O-N 3.46Å; L377-H380 CarbonylContact O-C 3.41Å; L377-H380 WeakPolarHBondContact O-CA 3.47Å; L377-H380 WeakPolarHBondContact O-CB 3.49Å; L377-H380 PolarHBondContact O-N 3.29Å; H380-R382 PolarHBondContact O-N 3.32Å; H380-I383 WeakPolarHBondContact O-CB 3.47Å; H380-I383 VanDerWaalsContact O-CG1 3.28Å; H380-I383 WeakPolarHBondContact O-CG1 3.46Å; H380-I383 PolarHBondContact O-N 3.06Å; H380-H384 AromaticContact CD2-NE2 3.78Å; H380-H384 AromaticContact CE1-NE2 3.83Å; H380-H384 AromaticContact NE2-CD2 3.8Å; H380-H384 AromaticContact NE2-CE1 3.94Å; H380-H384 AromaticContact NE2-NE2 3Å; H380-H384 PolarHBondContact NE2-NE2 2.94Å
381	Q	84.9	Confident	83.3	Confident	74 Å²	74	73.6 Å²	73.6	35%	0.346	37%	0.371	S	S	.	.	H	α-helix	trans	-56	-26.9	177.4	-76.4	174.4	-31.7	0	0	113.2	L377 I383 H384 T385	L377-Q381 HydrophobicContact CD1-CG 4.21Å; L377-Q381 WeakPolarHBondContact O-CG 3.4Å; L377-Q381 PolarHBondContact O-N 3.05Å; Q381-I383 PolarHBondContact O-N 2.92Å; Q381-I383 VanDerWaalsContact O-N 3.12Å; Q381-H384 PolarHBondContact O-N 2.82Å; Q381-T385 PolarHBondContact O-N 3.08Å; Q381-T385 PolarHBondContact O-OG1 3.07Å
382	R	88.3	Confident	84	Confident	55 Å²	55	71.9 Å²	71.9	21%	0.208	36%	0.364	C	S	.	.	H	α-helix	trans	-61.9	-17.3	173	-60.5	179.7	-173.9	176.3	-0.8	114.1	R379 H380 T385 G386 E387 S400	R379-R382 WeakPolarHBondContact O-CB 3.46Å; H380-R382 PolarHBondContact O-N 3.32Å; R382-T385 WeakPolarHBondContact CA-OG1 3.43Å; R382-G386 CarbonylContact O-C 3.52Å; R382-G386 WeakPolarHBondContact O-CA 3.35Å; R382-G386 PolarHBondContact O-N 3.47Å; R382-G386 VanDerWaalsContact O-N 3.12Å; R382-E387 HydrophobicContact CB-CB 4.5Å; R382-E387 HydrophobicContact CG-CB 4.37Å; R382-E387 PolarHBondContact O-N 3.04Å; R382-S400 PolarHBondContact NH1-O 3.12Å
383	I	84.9	Confident	84.7	Confident	123 Å²	123	75.4 Å²	75.4	63%	0.631	38%	0.384	S	S	*	.	H	α-helix	trans	-71.3	-41.7	174.1	-60.8	171.2	0	0	0	109.7	H380 Q381	H380-I383 WeakPolarHBondContact O-CB 3.47Å; H380-I383 VanDerWaalsContact O-CG1 3.28Å; H380-I383 WeakPolarHBondContact O-CG1 3.46Å; H380-I383 PolarHBondContact O-N 3.06Å; Q381-I383 PolarHBondContact O-N 2.92Å; Q381-I383 VanDerWaalsContact O-N 3.12Å
384	H	85.1	Confident	85.3	Confident	75 Å²	75	74.6 Å²	74.6	35%	0.347	39%	0.387	S	S	.	.	H	α-helix	trans	-77.5	-44.7	-179.2	-57	-50.9	0	0	0	111.8	C364 E366 C367 H380 Q381 G386	C364-H384 PolarHBondContact SG-NE2 3.38Å; E366-H384 WeakPolarHBondContact OE2-CB 3.32Å; E366-H384 IonicContact OE2-CD2 3.5Å; E366-H384 PolarHBondContact OE2-CD2 3.11Å; E366-H384 IonicContact OE2-CG 3.93Å; C367-H384 PolarHBondContact SG-NE2 3.45Å; H380-H384 AromaticContact CD2-NE2 3.78Å; H380-H384 AromaticContact CE1-NE2 3.83Å; H380-H384 AromaticContact NE2-CD2 3.8Å; H380-H384 AromaticContact NE2-CE1 3.94Å; H380-H384 AromaticContact NE2-NE2 3Å; H380-H384 PolarHBondContact NE2-NE2 2.94Å; Q381-H384 PolarHBondContact O-N 2.82Å; H384-G386 PolarHBondContact O-N 3.4Å
385	T	84.8	Confident	85.7	Confident	79 Å²	79	73.9 Å²	73.9	49%	0.485	39%	0.387	S	S	.	.	S	Bend	trans	-74.9	-15.6	178.2	64.3	0	0	0	0	113.2	Q381 R382 E387	Q381-T385 PolarHBondContact O-N 3.08Å; Q381-T385 PolarHBondContact O-OG1 3.07Å; R382-T385 WeakPolarHBondContact CA-OG1 3.43Å; T385-E387 PolarHBondContact O-N 3.05Å; T385-E387 WeakPolarHBondContact OG1-CG 3.49Å; T385-E387 PolarHBondContact OG1-N 3.06Å
386	G	84.4	Confident	86.1	Confident	46 Å²	46	71.7 Å²	71.7	47%	0.474	38%	0.377	S	S	.	.			trans	68.3	8.3	-174.6	0	0	0	0	0	114.2	R382 H384 K388	R382-G386 CarbonylContact O-C 3.52Å; R382-G386 WeakPolarHBondContact O-CA 3.35Å; R382-G386 PolarHBondContact O-N 3.47Å; R382-G386 VanDerWaalsContact O-N 3.12Å; H384-G386 PolarHBondContact O-N 3.4Å; G386-K388 PolarHBondContact O-N 2.99Å
387	E	84.4	Confident	86.3	Confident	113 Å²	113	74.4 Å²	74.4	53%	0.528	39%	0.388	S	S	.	.			trans	-60.5	122.6	-178	-78.5	-176.5	177.9	0	0	112	R382 T385 P389	R382-E387 HydrophobicContact CB-CB 4.5Å; R382-E387 HydrophobicContact CG-CB 4.37Å; R382-E387 PolarHBondContact O-N 3.04Å; T385-E387 PolarHBondContact O-N 3.05Å; T385-E387 WeakPolarHBondContact OG1-CG 3.49Å; T385-E387 PolarHBondContact OG1-N 3.06Å; E387-P389 WeakPolarHBondContact O-CD 3.41Å
388	K	88.9	Confident	86.5	Confident	109 Å²	109	80.3 Å²	80.3	47%	0.474	41%	0.409	S	S	.	.			trans	-124.9	80.8	176.4	-69	172.8	-178.4	177.4	0	109.9	G386 Y390 R398 F399	G386-K388 PolarHBondContact O-N 2.99Å; K388-Y390 PolarHBondContact O-N 2.79Å; K388-R398 HydrophobicContact CB-CB 3.56Å; K388-R398 HydrophobicContact CD-CB 4.32Å; K388-R398 PolarHBondContact O-NE 3.38Å; K388-R398 PolarHBondContact O-NH2 3.1Å; K388-F399 CarbonylContact C-O 3.25Å; K388-F399 VanDerWaalsContact C-O 3.27Å; K388-F399 VanDerWaalsContact CA-O 3.31Å; K388-F399 WeakPolarHBondContact CA-O 3.4Å
389	P	86.8	Confident	86.7	Confident	62 Å²	62	78.2 Å²	78.2	40%	0.403	40%	0.397	S	S	.	.			trans	-63.6	-28.6	-173.6	-24.1	35.3	0	0	0	113.3	E387	E387-P389 WeakPolarHBondContact O-CD 3.41Å
390	Y	89	Confident	86.8	Confident	79 Å²	79	75 Å²	75	31%	0.31	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	107.2	-170.2	-53	-77.1	0	0	0	110.8	K388 R398 F399 S400 S402	K388-Y390 PolarHBondContact O-N 2.79Å; Y390-R398 CarbonylContact O-C 3.2Å; Y390-R398 VanDerWaalsContact O-CA 3.31Å; Y390-R398 WeakPolarHBondContact O-CA 3.13Å; Y390-F399 WeakPolarHBondContact CD2-O 3.28Å; Y390-F399 PolarHBondContact N-O 3.12Å; Y390-F399 VanDerWaalsContact N-O 3.09Å; Y390-F399 PolarHBondContact O-N 3.04Å; Y390-S400 WeakPolarHBondContact CE2-O 3.47Å; Y390-S402 VanDerWaalsContact CD2-N 3.35Å; Y390-S402 VanDerWaalsContact CE2-N 3.34Å
391	K	88.3	Confident	86.8	Confident	128 Å²	128	77.4 Å²	77.4	56%	0.557	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	136.1	179	-175	-176.4	175.1	-171.8	0	110.9	R398	K391-R398 HydrophobicContact CB-CG 4.25Å; K391-R398 HydrophobicContact CG-CG 4.2Å
392	C	90.6	Very high	86.9	Confident	2 Å²	2	76.6 Å²	76.6	1%	0.014	41%	0.405	C	S	.	.			trans	-77.6	127.4	168.2	-173.5	0	0	0	0	110	D394 G396 Q397 F399 L405	C392-D394 VanDerWaalsContact C-N 3.34Å; C392-G396 WeakPolarHBondContact O-CA 3.22Å; C392-G396 PolarHBondContact O-N 3.44Å; C392-Q397 VanDerWaalsContact CB-O 3.28Å; C392-Q397 WeakPolarHBondContact CB-O 3.38Å; C392-Q397 PolarHBondContact N-O 3.31Å; C392-F399 HydrophobicContact CB-CE2 4.28Å; C392-L405 HydrophobicContact CB-CD1 3.6Å
393	T	88.8	Confident	86.7	Confident	119 Å²	119	77 Å²	77	73%	0.73	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-35.4	177.5	48.4	0	0	0	0	111.9
394	D	84.4	Confident	86.8	Confident	87 Å²	87	72.5 Å²	72.5	47%	0.465	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-31.9	-169.2	-49	-31.7	0	0	0	112.9	C392 H412	C392-D394 VanDerWaalsContact C-N 3.34Å; D394-H412 IonicContact OD2-CD2 3.65Å; D394-H412 PolarHBondContact OD2-CD2 3.14Å; D394-H412 IonicContact OD2-CG 3.3Å
395	C	85.6	Confident	86.9	Confident	61 Å²	61	70.5 Å²	70.5	41%	0.412	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.2	1.4	-177.3	69.6	0	0	0	0	114.4	Q397 H408 H412	C395-Q397 PolarHBondContact O-N 3.45Å; C395-Q397 WeakPolarHBondContact SG-CB 3.33Å; C395-H408 PolarHBondContact SG-NE2 3.3Å; C395-H412 PolarHBondContact SG-NE2 2.96Å; C395-H412 VanDerWaalsContact SG-NE2 3.43Å
396	G	85.9	Confident	87	Confident	33 Å²	33	71.3 Å²	71.3	34%	0.34	39%	0.39	S	S	.	.			trans	71.3	-5.1	-178.4	0	0	0	0	0	115.5	C392	C392-G396 WeakPolarHBondContact O-CA 3.22Å; C392-G396 PolarHBondContact O-N 3.44Å
397	Q	87.2	Confident	87	Confident	101 Å²	101	70.4 Å²	70.4	47%	0.472	38%	0.375	S	S	.	.			trans	-64.6	135.3	-177.1	-169.9	171.9	5	0	0	111.5	C392 C395 F399 H408	C392-Q397 VanDerWaalsContact CB-O 3.28Å; C392-Q397 WeakPolarHBondContact CB-O 3.38Å; C392-Q397 PolarHBondContact N-O 3.31Å; C395-Q397 PolarHBondContact O-N 3.45Å; C395-Q397 WeakPolarHBondContact SG-CB 3.33Å; Q397-F399 HydrophobicContact CB-CE2 4.09Å; Q397-F399 HydrophobicContact CB-CZ 4.24Å; Q397-F399 HydrophobicContact CG-CE2 3.99Å; Q397-F399 HydrophobicContact CG-CZ 3.77Å; Q397-F399 WeakPolarHBondContact O-CE2 3.39Å; Q397-H408 PolarHBondContact OE1-CE1 3.06Å
398	R	89.1	Confident	87.2	Confident	138 Å²	138	66.2 Å²	66.2	52%	0.521	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	146.3	-177.7	-54	-176.3	74.6	134.4	3.4	112.2	K388 Y390 K391	K388-R398 HydrophobicContact CB-CB 3.56Å; K388-R398 HydrophobicContact CD-CB 4.32Å; K388-R398 PolarHBondContact O-NE 3.38Å; K388-R398 PolarHBondContact O-NH2 3.1Å; Y390-R398 CarbonylContact O-C 3.2Å; Y390-R398 VanDerWaalsContact O-CA 3.31Å; Y390-R398 WeakPolarHBondContact O-CA 3.13Å; K391-R398 HydrophobicContact CB-CG 4.25Å; K391-R398 HydrophobicContact CG-CG 4.2Å
399	F	88.1	Confident	87.1	Confident	32 Å²	32	67 Å²	67	14%	0.14	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	147.7	-178.5	-59.2	-88.4	0	0	0	110.9	K388 Y390 C392 Q397 Q401 A404 L405 H408	K388-F399 CarbonylContact C-O 3.25Å; K388-F399 VanDerWaalsContact C-O 3.27Å; K388-F399 VanDerWaalsContact CA-O 3.31Å; K388-F399 WeakPolarHBondContact CA-O 3.4Å; Y390-F399 WeakPolarHBondContact CD2-O 3.28Å; Y390-F399 PolarHBondContact N-O 3.12Å; Y390-F399 VanDerWaalsContact N-O 3.09Å; Y390-F399 PolarHBondContact O-N 3.04Å; C392-F399 HydrophobicContact CB-CE2 4.28Å; Q397-F399 HydrophobicContact CB-CE2 4.09Å; Q397-F399 HydrophobicContact CB-CZ 4.24Å; Q397-F399 HydrophobicContact CG-CE2 3.99Å; Q397-F399 HydrophobicContact CG-CZ 3.77Å; Q397-F399 WeakPolarHBondContact O-CE2 3.39Å; F399-Q401 VanDerWaalsContact C-N 3.32Å; F399-A404 HydrophobicContact CB-CB 4.23Å; F399-A404 HydrophobicContact CD1-CB 3.93Å; F399-A404 HydrophobicContact CG-CB 4.35Å; F399-L405 HydrophobicContact CB-CB 4.3Å; F399-L405 HydrophobicContact CD2-CB 3.86Å; F399-L405 HydrophobicContact CD2-CD1 3.76Å; F399-L405 HydrophobicContact CD2-CG 4.4Å; F399-L405 HydrophobicContact CE2-CD1 3.9Å; F399-L405 HydrophobicContact CG-CB 4.22Å; F399-H408 HydrophobicContact CE1-CB 3.9Å; F399-H408 HydrophobicContact CE2-CB 3.93Å; F399-H408 AromaticContact CE2-CD2 3.52Å; F399-H408 AromaticContact CE2-CG 3.68Å; F399-H408 HydrophobicContact CZ-CB 3.43Å; F399-H408 VanDerWaalsContact CZ-CB 3.43Å; F399-H408 AromaticContact CZ-CD2 3.49Å; F399-H408 VanDerWaalsContact CZ-CD2 3.49Å; F399-H408 WeakPolarHBondContact CZ-CD2 3.37Å; F399-H408 AromaticContact CZ-CG 3.19Å; F399-H408 AromaticContact CZ-ND1 3.58Å
400	S	87.1	Confident	87.1	Confident	40 Å²	40	66.4 Å²	66.4	28%	0.28	35%	0.345	S	S	.	.	S	Bend	trans	-81.3	-13.5	176.7	56.3	0	0	0	0	113.1	R382 Y390	R382-S400 PolarHBondContact NH1-O 3.12Å; Y390-S400 WeakPolarHBondContact CE2-O 3.47Å
401	Q	86.5	Confident	87	Confident	70 Å²	70	67 Å²	67	33%	0.327	36%	0.357	S	S	.	.	S	Bend	trans	-134.2	141.2	-179.5	-57.4	-178.3	19.6	0	0	111	R379 F399 A404 L405	R379-Q401 HydrophobicContact CG-CG 4.34Å; F399-Q401 VanDerWaalsContact C-N 3.32Å; Q401-A404 HydrophobicContact CB-CB 4.27Å; Q401-A404 WeakPolarHBondContact O-CB 3.31Å; Q401-A404 PolarHBondContact O-N 3.33Å; Q401-L405 PolarHBondContact O-N 3.1Å
402	S	86.1	Confident	86.8	Confident	57 Å²	57	64.9 Å²	64.9	40%	0.399	35%	0.349	S	S	.	.	H	α-helix	trans	-65.2	-39	178.2	56.2	0	0	0	0	112.4	Y390 A404 L405 I406	Y390-S402 VanDerWaalsContact CD2-N 3.35Å; Y390-S402 VanDerWaalsContact CE2-N 3.34Å; S402-A404 VanDerWaalsContact C-N 3.27Å; S402-A404 PolarHBondContact O-N 3.29Å; S402-L405 WeakPolarHBondContact O-CB 3.44Å; S402-L405 PolarHBondContact O-N 3.04Å; S402-L405 VanDerWaalsContact O-N 3.14Å; S402-I406 WeakPolarHBondContact O-CG1 3.47Å; S402-I406 PolarHBondContact O-N 2.98Å
403	S	84	Confident	86.5	Confident	63 Å²	63	67.8 Å²	67.8	44%	0.441	37%	0.367	S	S	.	.	H	α-helix	trans	-59.1	-38.9	175.6	58.1	0	0	0	0	112.1	I406 T407	S403-I406 PolarHBondContact O-N 3.36Å; S403-T407 WeakPolarHBondContact O-CG2 3.5Å; S403-T407 PolarHBondContact O-N 3.09Å; S403-T407 PolarHBondContact O-OG1 3.31Å
404	A	86.9	Confident	86.3	Confident	28 Å²	28	64.3 Å²	64.3	23%	0.231	35%	0.354	C	S	.	.	H	α-helix	trans	-64.1	-44.8	175.8	0	0	0	0	0	110.9	F399 Q401 S402 T407 H408	F399-A404 HydrophobicContact CB-CB 4.23Å; F399-A404 HydrophobicContact CD1-CB 3.93Å; F399-A404 HydrophobicContact CG-CB 4.35Å; Q401-A404 HydrophobicContact CB-CB 4.27Å; Q401-A404 WeakPolarHBondContact O-CB 3.31Å; Q401-A404 PolarHBondContact O-N 3.33Å; S402-A404 VanDerWaalsContact C-N 3.27Å; S402-A404 PolarHBondContact O-N 3.29Å; A404-T407 PolarHBondContact O-N 2.94Å; A404-T407 PolarHBondContact O-OG1 3.2Å; A404-H408 WeakPolarHBondContact O-CB 3.3Å; A404-H408 PolarHBondContact O-N 3.34Å
405	L	89.1	Confident	86.3	Confident	34 Å²	34	64.9 Å²	64.9	18%	0.178	35%	0.354	C	S	.	.	H	α-helix	trans	-58.8	-47.8	174.1	172.6	61.8	0	0	0	111.9	C392 F399 Q401 S402 T407 H408 R409	C392-L405 HydrophobicContact CB-CD1 3.6Å; F399-L405 HydrophobicContact CB-CB 4.3Å; F399-L405 HydrophobicContact CD2-CB 3.86Å; F399-L405 HydrophobicContact CD2-CD1 3.76Å; F399-L405 HydrophobicContact CD2-CG 4.4Å; F399-L405 HydrophobicContact CE2-CD1 3.9Å; F399-L405 HydrophobicContact CG-CB 4.22Å; Q401-L405 PolarHBondContact O-N 3.1Å; S402-L405 WeakPolarHBondContact O-CB 3.44Å; S402-L405 PolarHBondContact O-N 3.04Å; S402-L405 VanDerWaalsContact O-N 3.14Å; L405-T407 VanDerWaalsContact C-N 3.34Å; L405-T407 PolarHBondContact O-N 3.12Å; L405-H408 CarbonylContact O-C 3.55Å; L405-H408 WeakPolarHBondContact O-CB 3.43Å; L405-H408 PolarHBondContact O-N 2.92Å; L405-H408 VanDerWaalsContact O-N 3.1Å; L405-R409 PolarHBondContact O-N 2.82Å
406	I	85.4	Confident	86.5	Confident	96 Å²	96	68 Å²	68	49%	0.492	36%	0.361	S	S	.	.	H	α-helix	trans	-59.5	-46	178.8	-66.6	166.6	0	0	0	110.5	S402 S403 H408 R409 R410	S402-I406 WeakPolarHBondContact O-CG1 3.47Å; S402-I406 PolarHBondContact O-N 2.98Å; S403-I406 PolarHBondContact O-N 3.36Å; I406-H408 VanDerWaalsContact C-N 3.27Å; I406-H408 PolarHBondContact O-N 3.42Å; I406-R409 PolarHBondContact O-N 2.79Å; I406-R410 PolarHBondContact O-N 2.91Å
407	T	84.9	Confident	86.5	Confident	27 Å²	27	70 Å²	70	17%	0.166	37%	0.368	C	S	.	.	H	α-helix	trans	-67.3	-29.8	177.6	65.4	0	0	0	0	113.2	S403 A404 L405 R429	S403-T407 WeakPolarHBondContact O-CG2 3.5Å; S403-T407 PolarHBondContact O-N 3.09Å; S403-T407 PolarHBondContact O-OG1 3.31Å; A404-T407 PolarHBondContact O-N 2.94Å; A404-T407 PolarHBondContact O-OG1 3.2Å; L405-T407 VanDerWaalsContact C-N 3.34Å; L405-T407 PolarHBondContact O-N 3.12Å; T407-R429 HydrophobicContact CG2-CG 4.34Å; T407-R429 PolarHBondContact OG1-NH2 2.89Å
408	H	88.7	Confident	86.6	Confident	25 Å²	25	68.9 Å²	68.9	12%	0.116	36%	0.36	C	S	.	.	H	α-helix	trans	-71.4	-42.2	174	168.7	78.3	0	0	0	111.2	C395 Q397 F399 A404 L405 I406 R410 T411 H412	C395-H408 PolarHBondContact SG-NE2 3.3Å; Q397-H408 PolarHBondContact OE1-CE1 3.06Å; F399-H408 HydrophobicContact CE1-CB 3.9Å; F399-H408 HydrophobicContact CE2-CB 3.93Å; F399-H408 AromaticContact CE2-CD2 3.52Å; F399-H408 AromaticContact CE2-CG 3.68Å; F399-H408 HydrophobicContact CZ-CB 3.43Å; F399-H408 VanDerWaalsContact CZ-CB 3.43Å; F399-H408 AromaticContact CZ-CD2 3.49Å; F399-H408 VanDerWaalsContact CZ-CD2 3.49Å; F399-H408 WeakPolarHBondContact CZ-CD2 3.37Å; F399-H408 AromaticContact CZ-CG 3.19Å; F399-H408 AromaticContact CZ-ND1 3.58Å; A404-H408 WeakPolarHBondContact O-CB 3.3Å; A404-H408 PolarHBondContact O-N 3.34Å; L405-H408 CarbonylContact O-C 3.55Å; L405-H408 WeakPolarHBondContact O-CB 3.43Å; L405-H408 PolarHBondContact O-N 2.92Å; L405-H408 VanDerWaalsContact O-N 3.1Å; I406-H408 VanDerWaalsContact C-N 3.27Å; I406-H408 PolarHBondContact O-N 3.42Å; H408-R410 PolarHBondContact O-N 3.34Å; H408-R410 VanDerWaalsContact O-N 3.11Å; H408-T411 WeakPolarHBondContact O-CB 3.5Å; H408-T411 WeakPolarHBondContact O-CG2 3.47Å; H408-T411 PolarHBondContact O-N 3.29Å; H408-T411 PolarHBondContact O-OG1 3.39Å; H408-H412 AromaticContact CD2-NE2 3.92Å; H408-H412 AromaticContact CE1-NE2 3.73Å; H408-H412 AromaticContact NE2-CD2 3.93Å; H408-H412 AromaticContact NE2-CE1 4Å; H408-H412 AromaticContact NE2-NE2 3.12Å; H408-H412 PolarHBondContact NE2-NE2 2.9Å; H408-H412 VanDerWaalsContact NE2-NE2 3.12Å
409	R	86.1	Confident	86.6	Confident	126 Å²	126	68.1 Å²	68.1	48%	0.475	36%	0.362	S	S	.	.	H	α-helix	trans	-57.2	-31.9	178.4	-169.8	173.6	177.2	-98.2	2.3	112.5	L405 I406 T411 H412 T413	L405-R409 PolarHBondContact O-N 2.82Å; I406-R409 PolarHBondContact O-N 2.79Å; R409-T411 PolarHBondContact O-N 3.07Å; R409-T411 VanDerWaalsContact O-N 3.11Å; R409-H412 WeakPolarHBondContact O-CB 3.42Å; R409-H412 PolarHBondContact O-N 3.41Å; R409-T413 PolarHBondContact O-N 3.24Å
410	R	88.3	Confident	86.7	Confident	49 Å²	49	66.6 Å²	66.6	19%	0.185	36%	0.356	C	S	.	.	H	α-helix	trans	-59.7	-18.7	171.9	-64.1	177.4	-175.5	168.3	0.6	114.1	I406 H408 G414 E415 S428	I406-R410 PolarHBondContact O-N 2.91Å; H408-R410 PolarHBondContact O-N 3.34Å; H408-R410 VanDerWaalsContact O-N 3.11Å; R410-G414 WeakPolarHBondContact O-CA 3.25Å; R410-G414 PolarHBondContact O-N 2.93Å; R410-E415 HydrophobicContact CG-CB 4.41Å; R410-S428 WeakPolarHBondContact CD-O 3.45Å; R410-S428 PolarHBondContact NH1-O 2.8Å
411	T	86.7	Confident	86.7	Confident	91 Å²	91	69.4 Å²	69.4	56%	0.558	38%	0.375	S	S	*	.	H	α-helix	trans	-76.5	-25	173.3	69.8	0	0	0	0	112.7	H408 R409	H408-T411 WeakPolarHBondContact O-CB 3.5Å; H408-T411 WeakPolarHBondContact O-CG2 3.47Å; H408-T411 PolarHBondContact O-N 3.29Å; H408-T411 PolarHBondContact O-OG1 3.39Å; R409-T411 PolarHBondContact O-N 3.07Å; R409-T411 VanDerWaalsContact O-N 3.11Å
412	H	82.9	Confident	86.6	Confident	84 Å²	84	71.8 Å²	71.8	39%	0.389	39%	0.387	S	S	.	.	H	α-helix	trans	-83.1	-45.4	175.3	-60.8	-50.8	0	0	0	111.1	D394 C395 H408 R409 G414	D394-H412 IonicContact OD2-CD2 3.65Å; D394-H412 PolarHBondContact OD2-CD2 3.14Å; D394-H412 IonicContact OD2-CG 3.3Å; C395-H412 PolarHBondContact SG-NE2 2.96Å; C395-H412 VanDerWaalsContact SG-NE2 3.43Å; H408-H412 AromaticContact CD2-NE2 3.92Å; H408-H412 AromaticContact CE1-NE2 3.73Å; H408-H412 AromaticContact NE2-CD2 3.93Å; H408-H412 AromaticContact NE2-CE1 4Å; H408-H412 AromaticContact NE2-NE2 3.12Å; H408-H412 PolarHBondContact NE2-NE2 2.9Å; H408-H412 VanDerWaalsContact NE2-NE2 3.12Å; R409-H412 WeakPolarHBondContact O-CB 3.42Å; R409-H412 PolarHBondContact O-N 3.41Å; H412-G414 VanDerWaalsContact C-N 3.3Å; H412-G414 PolarHBondContact O-N 3.28Å
413	T	84.9	Confident	86.6	Confident	62 Å²	62	71.6 Å²	71.6	38%	0.38	39%	0.385	S	S	.	.	H	α-helix	trans	-77.3	-17.4	-179.8	63.4	0	0	0	0	113.3	R409 E415	R409-T413 PolarHBondContact O-N 3.24Å; T413-E415 PolarHBondContact O-N 3.16Å; T413-E415 WeakPolarHBondContact OG1-CB 3.24Å; T413-E415 WeakPolarHBondContact OG1-CG 3.44Å; T413-E415 PolarHBondContact OG1-N 3.46Å
414	G	84.5	Confident	86.7	Confident	46 Å²	46	70.4 Å²	70.4	47%	0.474	38%	0.382	S	S	.	.			trans	71.1	4.7	-174.6	0	0	0	0	0	114.1	R410 H412 K416	R410-G414 WeakPolarHBondContact O-CA 3.25Å; R410-G414 PolarHBondContact O-N 2.93Å; H412-G414 VanDerWaalsContact C-N 3.3Å; H412-G414 PolarHBondContact O-N 3.28Å; G414-K416 PolarHBondContact O-N 2.8Å
415	E	84.4	Confident	86.7	Confident	100 Å²	100	75.2 Å²	75.2	47%	0.467	40%	0.398	S	S	.	.			trans	-58.5	126.5	-179.9	-77.5	173	-159.2	0	0	111.8	R410 T413	R410-E415 HydrophobicContact CG-CB 4.41Å; T413-E415 PolarHBondContact O-N 3.16Å; T413-E415 WeakPolarHBondContact OG1-CB 3.24Å; T413-E415 WeakPolarHBondContact OG1-CG 3.44Å; T413-E415 PolarHBondContact OG1-N 3.46Å
416	K	88.8	Confident	86.6	Confident	125 Å²	125	75.5 Å²	75.5	54%	0.543	40%	0.403	S	S	.	.			trans	-127.9	76.5	177.4	-70.6	169.5	178	-175.6	0	109.8	G414 Y418 S426 F427	G414-K416 PolarHBondContact O-N 2.8Å; K416-Y418 PolarHBondContact O-N 3.27Å; K416-Y418 VanDerWaalsContact O-N 3.11Å; K416-S426 WeakPolarHBondContact CD-O 3.46Å; K416-S426 WeakPolarHBondContact O-CB 3.35Å; K416-F427 CarbonylContact C-O 3.55Å; K416-F427 VanDerWaalsContact C-O 3.25Å; K416-F427 VanDerWaalsContact CA-O 3.3Å; K416-F427 WeakPolarHBondContact CA-O 3.47Å
417	P	86	Confident	86.8	Confident	77 Å²	77	73 Å²	73	50%	0.5	39%	0.389	S	S	.	.			trans	-65.8	-17.5	-171.8	-21.8	34.2	0	0	0	114.2
418	Y	89.4	Confident	86.8	Confident	77 Å²	77	73.2 Å²	73.2	30%	0.302	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	96.3	-172.6	-54.8	-75.2	0	0	0	110.5	K416 S426 F427 S430	K416-Y418 PolarHBondContact O-N 3.27Å; K416-Y418 VanDerWaalsContact O-N 3.11Å; Y418-S426 CarbonylContact O-C 3.52Å; Y418-S426 WeakPolarHBondContact O-CA 3.43Å; Y418-F427 WeakPolarHBondContact CD2-O 3.28Å; Y418-F427 PolarHBondContact N-O 2.78Å; Y418-F427 VanDerWaalsContact N-O 3.11Å; Y418-F427 PolarHBondContact O-N 3.37Å; Y418-S430 VanDerWaalsContact CD2-N 3.3Å; Y418-S430 VanDerWaalsContact CE2-N 3.34Å
419	Q	90	Very high	86.6	Confident	121 Å²	121	77.4 Å²	77.4	57%	0.565	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	139.1	179.1	-167.8	172.7	20.7	0	0	112.4	G424 L433	Q419-G424 WeakPolarHBondContact CG-O 3.49Å; Q419-G424 PolarHBondContact NE2-O 3.24Å; Q419-G424 VanDerWaalsContact NE2-O 3.14Å; Q419-L433 WeakPolarHBondContact O-CD2 3.35Å
420	C	90.1	Very high	86.5	Confident	1 Å²	1	74.6 Å²	74.6	1%	0.007	41%	0.406	C	S	.	.			trans	-80.5	123.4	168.2	-177.1	0	0	0	0	109.9	E422 C423 G424 K425 F427 L433 H440	C420-E422 VanDerWaalsContact C-N 3.29Å; C420-E422 PolarHBondContact O-N 2.75Å; C420-C423 VanDerWaalsContact SG-SG 3.66Å; C420-G424 WeakPolarHBondContact O-CA 3.45Å; C420-G424 PolarHBondContact O-N 3.01Å; C420-K425 VanDerWaalsContact CB-O 3.31Å; C420-K425 WeakPolarHBondContact CB-O 3.15Å; C420-K425 PolarHBondContact N-O 3.24Å; C420-F427 HydrophobicContact CB-CE2 4.45Å; C420-L433 HydrophobicContact CB-CD1 3.61Å; C420-H440 PolarHBondContact SG-NE2 2.79Å
421	S	86.8	Confident	86.4	Confident	98 Å²	98	75.3 Å²	75.3	69%	0.685	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-27.4	178.4	44.3	0	0	0	0	113.4
422	E	85.3	Confident	86.4	Confident	121 Å²	121	74.1 Å²	74.1	57%	0.565	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-33.3	-173.3	-66.1	165.2	-121.9	0	0	113.2	C420 H440	C420-E422 VanDerWaalsContact C-N 3.29Å; C420-E422 PolarHBondContact O-N 2.75Å; E422-H440 WeakPolarHBondContact OE2-CB 3.28Å; E422-H440 IonicContact OE2-CD2 3.31Å; E422-H440 PolarHBondContact OE2-CD2 2.97Å; E422-H440 VanDerWaalsContact OE2-CD2 3.24Å; E422-H440 IonicContact OE2-CG 2.97Å
423	C	85.9	Confident	86.6	Confident	53 Å²	53	70.9 Å²	70.9	36%	0.358	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.9	4.9	-176.8	72.5	0	0	0	0	114.2	C420 K425 H436 H440	C420-C423 VanDerWaalsContact SG-SG 3.66Å; C423-K425 PolarHBondContact O-N 3.35Å; C423-K425 VanDerWaalsContact SG-CB 3.6Å; C423-K425 VanDerWaalsContact SG-CG 3.59Å; C423-H436 PolarHBondContact SG-NE2 3.39Å; C423-H440 VanDerWaalsContact SG-CE1 3.6Å; C423-H440 PolarHBondContact SG-NE2 2.91Å; C423-H440 VanDerWaalsContact SG-NE2 3.42Å
424	G	85.1	Confident	86.5	Confident	38 Å²	38	70.2 Å²	70.2	39%	0.392	40%	0.395	S	S	.	.			trans	69.1	-3.2	-179.8	0	0	0	0	0	115.5	Q419 C420 S426	Q419-G424 WeakPolarHBondContact CG-O 3.49Å; Q419-G424 PolarHBondContact NE2-O 3.24Å; Q419-G424 VanDerWaalsContact NE2-O 3.14Å; C420-G424 WeakPolarHBondContact O-CA 3.45Å; C420-G424 PolarHBondContact O-N 3.01Å; G424-S426 PolarHBondContact O-N 2.86Å
425	K	86.5	Confident	86.5	Confident	128 Å²	128	69.8 Å²	69.8	56%	0.557	38%	0.383	S	S	*	.			trans	-68.4	131.2	-178	-71.1	178.6	-178.3	171.9	0	111.6	C420 C423 F427	C420-K425 VanDerWaalsContact CB-O 3.31Å; C420-K425 WeakPolarHBondContact CB-O 3.15Å; C420-K425 PolarHBondContact N-O 3.24Å; C423-K425 PolarHBondContact O-N 3.35Å; C423-K425 VanDerWaalsContact SG-CB 3.6Å; C423-K425 VanDerWaalsContact SG-CG 3.59Å; K425-F427 HydrophobicContact CB-CE2 4Å; K425-F427 HydrophobicContact CB-CZ 4.13Å; K425-F427 WeakPolarHBondContact O-CE2 3.42Å
426	S	89	Confident	86.6	Confident	41 Å²	41	66.1 Å²	66.1	29%	0.287	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	147.4	-179.8	-52.5	0	0	0	0	113.1	K416 Y418 G424	K416-S426 WeakPolarHBondContact CD-O 3.46Å; K416-S426 WeakPolarHBondContact O-CB 3.35Å; Y418-S426 CarbonylContact O-C 3.52Å; Y418-S426 WeakPolarHBondContact O-CA 3.43Å; G424-S426 PolarHBondContact O-N 2.86Å
427	F	87.8	Confident	86.3	Confident	44 Å²	44	65.6 Å²	65.6	19%	0.193	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	150	-177.2	-58.2	-89.9	0	0	0	111.3	K416 Y418 C420 K425 R429 N432 L433 H436	K416-F427 CarbonylContact C-O 3.55Å; K416-F427 VanDerWaalsContact C-O 3.25Å; K416-F427 VanDerWaalsContact CA-O 3.3Å; K416-F427 WeakPolarHBondContact CA-O 3.47Å; Y418-F427 WeakPolarHBondContact CD2-O 3.28Å; Y418-F427 PolarHBondContact N-O 2.78Å; Y418-F427 VanDerWaalsContact N-O 3.11Å; Y418-F427 PolarHBondContact O-N 3.37Å; C420-F427 HydrophobicContact CB-CE2 4.45Å; K425-F427 HydrophobicContact CB-CE2 4Å; K425-F427 HydrophobicContact CB-CZ 4.13Å; K425-F427 WeakPolarHBondContact O-CE2 3.42Å; F427-R429 VanDerWaalsContact C-N 3.34Å; F427-N432 HydrophobicContact CB-CB 4.2Å; F427-N432 HydrophobicContact CD1-CB 3.98Å; F427-N432 HydrophobicContact CG-CB 4.32Å; F427-L433 HydrophobicContact CB-CB 4.38Å; F427-L433 HydrophobicContact CD2-CB 3.93Å; F427-L433 HydrophobicContact CD2-CD1 3.82Å; F427-L433 HydrophobicContact CD2-CG 4.49Å; F427-L433 HydrophobicContact CE2-CD1 3.99Å; F427-L433 HydrophobicContact CG-CB 4.35Å; F427-H436 HydrophobicContact CE1-CB 3.96Å; F427-H436 HydrophobicContact CE2-CB 3.83Å; F427-H436 AromaticContact CE2-CD2 3.29Å; F427-H436 WeakPolarHBondContact CE2-CD2 3.34Å; F427-H436 AromaticContact CE2-CG 3.64Å; F427-H436 HydrophobicContact CZ-CB 3.43Å; F427-H436 VanDerWaalsContact CZ-CB 3.43Å; F427-H436 AromaticContact CZ-CD2 3.31Å; F427-H436 WeakPolarHBondContact CZ-CD2 3.39Å; F427-H436 AromaticContact CZ-CG 3.2Å; F427-H436 AromaticContact CZ-ND1 3.88Å; F427-H436 AromaticContact CZ-NE2 3.98Å
428	S	85.9	Confident	86.2	Confident	30 Å²	30	65.7 Å²	65.7	21%	0.21	35%	0.351	C	S	.	.	S	Bend	trans	-81.3	-13.5	177.7	57.7	0	0	0	0	113.6	R410	R410-S428 WeakPolarHBondContact CD-O 3.45Å; R410-S428 PolarHBondContact NH1-O 2.8Å
429	R	85.3	Confident	85.8	Confident	113 Å²	113	65.5 Å²	65.5	43%	0.426	36%	0.357	S	S	.	.	S	Bend	trans	-133.4	139	179.3	-64.4	-178.8	176	174.2	-2.5	110.6	T407 F427 S431 N432 L433	T407-R429 HydrophobicContact CG2-CG 4.34Å; T407-R429 PolarHBondContact OG1-NH2 2.89Å; F427-R429 VanDerWaalsContact C-N 3.34Å; R429-S431 VanDerWaalsContact C-N 3.31Å; R429-S431 PolarHBondContact O-N 3.06Å; R429-N432 HydrophobicContact CB-CB 4.38Å; R429-N432 WeakPolarHBondContact O-CB 3.31Å; R429-N432 PolarHBondContact O-N 3.18Å; R429-L433 PolarHBondContact O-N 3.4Å
430	S	84.1	Confident	85.3	Confident	68 Å²	68	62.6 Å²	62.6	48%	0.476	34%	0.344	S	S	.	.	H	α-helix	trans	-63.6	-36.3	177.5	55.4	0	0	0	0	112.4	Y418 N432 L433 A434	Y418-S430 VanDerWaalsContact CD2-N 3.3Å; Y418-S430 VanDerWaalsContact CE2-N 3.34Å; S430-N432 VanDerWaalsContact C-N 3.27Å; S430-N432 PolarHBondContact O-N 3.19Å; S430-L433 WeakPolarHBondContact O-CB 3.2Å; S430-L433 PolarHBondContact O-N 3.48Å; S430-A434 PolarHBondContact O-N 3.11Å
431	S	84.4	Confident	84.6	Confident	64 Å²	64	68 Å²	68	45%	0.448	37%	0.37	S	S	.	.	H	α-helix	trans	-59.8	-37.7	175.1	56.9	0	0	0	0	112.3	R429 A434 T435	R429-S431 VanDerWaalsContact C-N 3.31Å; R429-S431 PolarHBondContact O-N 3.06Å; S431-A434 PolarHBondContact O-N 3.31Å; S431-T435 WeakPolarHBondContact O-CG2 2.89Å; S431-T435 PolarHBondContact O-N 3.04Å; S431-T435 PolarHBondContact O-OG1 3.23Å
432	N	86.9	Confident	83.5	Confident	65 Å²	65	70.3 Å²	70.3	35%	0.348	38%	0.38	S	S	.	.	H	α-helix	trans	-70.8	-37.1	177.1	-67.1	-4.4	0	0	0	111.6	F427 R429 S430 A434 T435 H436	F427-N432 HydrophobicContact CB-CB 4.2Å; F427-N432 HydrophobicContact CD1-CB 3.98Å; F427-N432 HydrophobicContact CG-CB 4.32Å; R429-N432 HydrophobicContact CB-CB 4.38Å; R429-N432 WeakPolarHBondContact O-CB 3.31Å; R429-N432 PolarHBondContact O-N 3.18Å; S430-N432 VanDerWaalsContact C-N 3.27Å; S430-N432 PolarHBondContact O-N 3.19Å; N432-A434 VanDerWaalsContact C-N 3.35Å; N432-T435 WeakPolarHBondContact CA-OG1 3.47Å; N432-T435 PolarHBondContact O-OG1 3.45Å; N432-H436 WeakPolarHBondContact O-CB 3.37Å; N432-H436 PolarHBondContact O-N 3.26Å
433	L	87.3	Confident	82.6	Confident	17 Å²	17	72.5 Å²	72.5	9%	0.089	39%	0.39	C	S	.	.	H	α-helix	trans	-63.1	-43.5	170.9	173.4	62.3	0	0	0	110.7	Q419 C420 F427 R429 S430 T435 H436 R437	Q419-L433 WeakPolarHBondContact O-CD2 3.35Å; C420-L433 HydrophobicContact CB-CD1 3.61Å; F427-L433 HydrophobicContact CB-CB 4.38Å; F427-L433 HydrophobicContact CD2-CB 3.93Å; F427-L433 HydrophobicContact CD2-CD1 3.82Å; F427-L433 HydrophobicContact CD2-CG 4.49Å; F427-L433 HydrophobicContact CE2-CD1 3.99Å; F427-L433 HydrophobicContact CG-CB 4.35Å; R429-L433 PolarHBondContact O-N 3.4Å; S430-L433 WeakPolarHBondContact O-CB 3.2Å; S430-L433 PolarHBondContact O-N 3.48Å; L433-T435 PolarHBondContact O-N 3.28Å; L433-H436 PolarHBondContact O-N 3.1Å; L433-R437 HydrophobicContact CD1-CG 4.21Å; L433-R437 WeakPolarHBondContact O-CG 3.5Å; L433-R437 PolarHBondContact O-N 3.43Å
434	A	83.9	Confident	82.3	Confident	48 Å²	48	74.7 Å²	74.7	40%	0.397	39%	0.394	S	S	.	.	H	α-helix	trans	-63.1	-41.6	179	0	0	0	0	0	112.3	S430 S431 N432	S430-A434 PolarHBondContact O-N 3.11Å; S431-A434 PolarHBondContact O-N 3.31Å; N432-A434 VanDerWaalsContact C-N 3.35Å
435	T	83.9	Confident	82.1	Confident	37 Å²	37	76.6 Å²	76.6	23%	0.227	40%	0.399	C	S	.	.	H	α-helix	trans	-70.1	-34	173.9	56.7	0	0	0	0	112.2	S431 N432 L433 R438	S431-T435 WeakPolarHBondContact O-CG2 2.89Å; S431-T435 PolarHBondContact O-N 3.04Å; S431-T435 PolarHBondContact O-OG1 3.23Å; N432-T435 WeakPolarHBondContact CA-OG1 3.47Å; N432-T435 PolarHBondContact O-OG1 3.45Å; L433-T435 PolarHBondContact O-N 3.28Å; T435-R438 WeakPolarHBondContact O-CB 3.41Å; T435-R438 PolarHBondContact O-N 3.03Å
436	H	85.6	Confident	81.9	Confident	23 Å²	23	74 Å²	74	11%	0.106	39%	0.386	C	S	.	.	H	α-helix	trans	-66.5	-41.5	174.3	174.1	55.7	0	0	0	112.5	C423 F427 N432 L433 R438 T439 H440	C423-H436 PolarHBondContact SG-NE2 3.39Å; F427-H436 HydrophobicContact CE1-CB 3.96Å; F427-H436 HydrophobicContact CE2-CB 3.83Å; F427-H436 AromaticContact CE2-CD2 3.29Å; F427-H436 WeakPolarHBondContact CE2-CD2 3.34Å; F427-H436 AromaticContact CE2-CG 3.64Å; F427-H436 HydrophobicContact CZ-CB 3.43Å; F427-H436 VanDerWaalsContact CZ-CB 3.43Å; F427-H436 AromaticContact CZ-CD2 3.31Å; F427-H436 WeakPolarHBondContact CZ-CD2 3.39Å; F427-H436 AromaticContact CZ-CG 3.2Å; F427-H436 AromaticContact CZ-ND1 3.88Å; F427-H436 AromaticContact CZ-NE2 3.98Å; N432-H436 WeakPolarHBondContact O-CB 3.37Å; N432-H436 PolarHBondContact O-N 3.26Å; L433-H436 PolarHBondContact O-N 3.1Å; H436-R438 PolarHBondContact O-N 3.14Å; H436-R438 VanDerWaalsContact O-N 3.08Å; H436-T439 PolarHBondContact CE1-OG1 3.26Å; H436-T439 PolarHBondContact ND1-OG1 3.09Å; H436-T439 WeakPolarHBondContact O-CB 3.38Å; H436-T439 PolarHBondContact O-N 2.92Å; H436-T439 PolarHBondContact O-OG1 3.2Å; H436-H440 AromaticContact CE1-CE1 3.91Å; H436-H440 AromaticContact CE1-NE2 3.77Å; H436-H440 AromaticContact NE2-CE1 3.78Å; H436-H440 AromaticContact NE2-NE2 3.27Å; H436-H440 PolarHBondContact NE2-NE2 3.25Å
437	R	83.9	Confident	81.7	Confident	114 Å²	114	78.8 Å²	78.8	43%	0.43	40%	0.402	S	S	.	.	H	α-helix	trans	-55.4	-30.6	177.6	-77.7	-177.6	178.2	-163.9	-2.7	112.5	L433 T439 H440	L433-R437 HydrophobicContact CD1-CG 4.21Å; L433-R437 WeakPolarHBondContact O-CG 3.5Å; L433-R437 PolarHBondContact O-N 3.43Å; R437-T439 PolarHBondContact O-N 3.47Å; R437-T439 VanDerWaalsContact O-N 3.15Å; R437-H440 PolarHBondContact O-N 3.35Å
438	R	82.6	Confident	81.6	Confident	79 Å²	79	76.7 Å²	76.7	30%	0.298	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.3	174.1	-56.6	177.6	-164.2	156.3	0.7	114.3	T435 H436 S456	T435-R438 WeakPolarHBondContact O-CB 3.41Å; T435-R438 PolarHBondContact O-N 3.03Å; H436-R438 PolarHBondContact O-N 3.14Å; H436-R438 VanDerWaalsContact O-N 3.08Å; R438-S456 WeakPolarHBondContact CD-O 3.36Å
439	T	80.8	Confident	81.4	Confident	72 Å²	72	79 Å²	79	44%	0.442	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-19.8	173.3	68.2	0	0	0	0	112.8	H436 R437	H436-T439 PolarHBondContact CE1-OG1 3.26Å; H436-T439 PolarHBondContact ND1-OG1 3.09Å; H436-T439 WeakPolarHBondContact O-CB 3.38Å; H436-T439 PolarHBondContact O-N 2.92Å; H436-T439 PolarHBondContact O-OG1 3.2Å; R437-T439 PolarHBondContact O-N 3.47Å; R437-T439 VanDerWaalsContact O-N 3.15Å
440	H	79.4	Confident	81	Confident	61 Å²	61	78.9 Å²	78.9	28%	0.282	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-18.4	175.9	-57.5	-49.2	0	0	0	112.8	C420 E422 C423 H436 R437 V442	C420-H440 PolarHBondContact SG-NE2 2.79Å; E422-H440 WeakPolarHBondContact OE2-CB 3.28Å; E422-H440 IonicContact OE2-CD2 3.31Å; E422-H440 PolarHBondContact OE2-CD2 2.97Å; E422-H440 VanDerWaalsContact OE2-CD2 3.24Å; E422-H440 IonicContact OE2-CG 2.97Å; C423-H440 VanDerWaalsContact SG-CE1 3.6Å; C423-H440 PolarHBondContact SG-NE2 2.91Å; C423-H440 VanDerWaalsContact SG-NE2 3.42Å; H436-H440 AromaticContact CE1-CE1 3.91Å; H436-H440 AromaticContact CE1-NE2 3.77Å; H436-H440 AromaticContact NE2-CE1 3.78Å; H436-H440 AromaticContact NE2-NE2 3.27Å; H436-H440 PolarHBondContact NE2-NE2 3.25Å; R437-H440 PolarHBondContact O-N 3.35Å; H440-V442 PolarHBondContact O-N 3.42Å
441	M	75.8	Confident	80.8	Confident	114 Å²	114	78.3 Å²	78.3	56%	0.562	43%	0.429	S	S	*	.			trans	-68.8	125.4	170.7	-58.7	-172.9	81.5	0	0	109.3	E443	M441-E443 PolarHBondContact O-N 3.07Å
442	V	64.8	Low	80.6	Confident	147 Å²	147	77 Å²	77	89%	0.891	43%	0.425	S	S	*	.	S	Bend	trans	-60.4	-39.2	174.6	179.7	0	0	0	0	109.9	H440 K444	H440-V442 PolarHBondContact O-N 3.42Å; V442-K444 PolarHBondContact O-N 3.27Å
443	E	65.7	Low	80.3	Confident	166 Å²	166	80 Å²	80	78%	0.776	44%	0.435	S	S	*	.	S	Bend	trans	-87.7	110.8	174	-64.5	-163.2	160.8	0	0	111.4	M441	M441-E443 PolarHBondContact O-N 3.07Å
444	K	80	Confident	80.1	Confident	99 Å²	99	81.3 Å²	81.3	43%	0.43	45%	0.446	S	S	.	.			trans	-80.2	119.4	173.2	-80.2	177	-172.5	170.7	0	109.2	V442 Y446 S454 F455	V442-K444 PolarHBondContact O-N 3.27Å; K444-Y446 PolarHBondContact O-N 3.37Å; K444-S454 WeakPolarHBondContact CD-O 3.44Å; K444-F455 CarbonylContact C-O 3.57Å; K444-F455 WeakPolarHBondContact CB-O 3.42Å
445	P	80.2	Confident	80	Confident	78 Å²	78	81.1 Å²	81.1	51%	0.506	44%	0.436	S	S	.	.	S	Bend	trans	-63	-21.8	-167.7	-25.6	33.9	0	0	0	115.8
446	Y	83.4	Confident	79.9	Confident	73 Å²	73	80.4 Å²	80.4	29%	0.286	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	91.6	-171.9	-56.8	-77.5	0	0	0	110.2	K444 S454 F455	K444-Y446 PolarHBondContact O-N 3.37Å; Y446-S454 CarbonylContact O-C 3.59Å; Y446-S454 WeakPolarHBondContact O-CA 3.46Å; Y446-F455 WeakPolarHBondContact CB-O 3.49Å; Y446-F455 WeakPolarHBondContact CD2-O 3.49Å; Y446-F455 PolarHBondContact N-O 3.07Å; Y446-F455 VanDerWaalsContact N-O 3.1Å; Y446-F455 PolarHBondContact O-N 3.39Å
447	K	83.6	Confident	79.7	Confident	142 Å²	142	82.7 Å²	82.7	62%	0.617	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	134.5	179.3	-171.3	172.5	-178.7	-179.8	0	111.7
448	C	85.7	Confident	79.6	Confident	1 Å²	1	80 Å²	80	1%	0.007	44%	0.442	C	S	.	.			trans	-75.3	123.7	171.1	-176.2	0	0	0	0	110.2	V450 G452 K453 F455 L461 H468	C448-V450 VanDerWaalsContact C-N 3.26Å; C448-V450 PolarHBondContact O-N 3.14Å; C448-G452 WeakPolarHBondContact O-CA 3.38Å; C448-G452 PolarHBondContact O-N 3.21Å; C448-K453 VanDerWaalsContact CB-O 3.3Å; C448-K453 WeakPolarHBondContact CB-O 3.42Å; C448-K453 PolarHBondContact N-O 3.2Å; C448-F455 HydrophobicContact CB-CE2 4.49Å; C448-L461 HydrophobicContact CB-CD1 3.69Å; C448-H468 VanDerWaalsContact SG-CD2 3.54Å; C448-H468 PolarHBondContact SG-NE2 3.2Å; C448-H468 VanDerWaalsContact SG-NE2 3.44Å
449	G	82.1	Confident	79.5	Confident	79 Å²	79	79.7 Å²	79.7	81%	0.814	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-21.5	177.4	0	0	0	0	0	114.5
450	V	77.4	Confident	79.5	Confident	110 Å²	110	78.1 Å²	78.1	67%	0.667	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-51.8	-176.1	-177.6	0	0	0	0	111.9	C448 H468	C448-V450 VanDerWaalsContact C-N 3.26Å; C448-V450 PolarHBondContact O-N 3.14Å; V450-H468 HydrophobicContact CB-CB 4.45Å; V450-H468 HydrophobicContact CG1-CB 4.22Å; V450-H468 HydrophobicContact CG2-CB 4.39Å
451	C	80.6	Confident	79.7	Confident	56 Å²	56	76.2 Å²	76.2	38%	0.378	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	8.5	-175.5	78	0	0	0	0	114.3	K453 H464 H468	C451-K453 PolarHBondContact O-N 2.98Å; C451-K453 VanDerWaalsContact SG-CG 3.57Å; C451-H464 PolarHBondContact SG-NE2 2.92Å; C451-H468 VanDerWaalsContact CB-CE1 3.47Å; C451-H468 WeakPolarHBondContact CB-CE1 3.38Å; C451-H468 VanDerWaalsContact SG-CE1 3.58Å; C451-H468 PolarHBondContact SG-NE2 3.43Å
452	G	79.8	Confident	79.8	Confident	36 Å²	36	76.2 Å²	76.2	37%	0.371	44%	0.437	S	S	.	.			trans	69.8	-3.2	177.1	0	0	0	0	0	116.4	C448	C448-G452 WeakPolarHBondContact O-CA 3.38Å; C448-G452 PolarHBondContact O-N 3.21Å
453	K	80.6	Confident	80.2	Confident	128 Å²	128	70.2 Å²	70.2	56%	0.557	40%	0.402	S	S	*	.			trans	-65.1	135.1	179.8	-74	179.2	-177.5	175.6	0	110.7	C448 C451 F455	C448-K453 VanDerWaalsContact CB-O 3.3Å; C448-K453 WeakPolarHBondContact CB-O 3.42Å; C448-K453 PolarHBondContact N-O 3.2Å; C451-K453 PolarHBondContact O-N 2.98Å; C451-K453 VanDerWaalsContact SG-CG 3.57Å; K453-F455 HydrophobicContact CB-CE2 3.95Å; K453-F455 HydrophobicContact CB-CZ 4.1Å; K453-F455 WeakPolarHBondContact O-CE2 3.41Å
454	S	83.3	Confident	80.9	Confident	45 Å²	45	63 Å²	63	32%	0.315	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	141.6	-176.2	-56.9	0	0	0	0	112.3	K444 Y446	K444-S454 WeakPolarHBondContact CD-O 3.44Å; Y446-S454 CarbonylContact O-C 3.59Å; Y446-S454 WeakPolarHBondContact O-CA 3.46Å
455	F	81.7	Confident	80.7	Confident	43 Å²	43	62 Å²	62	19%	0.189	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	147.3	-173.6	-58.8	-90.2	0	0	0	111.5	K444 Y446 C448 K453 Q457 L461 H464	K444-F455 CarbonylContact C-O 3.57Å; K444-F455 WeakPolarHBondContact CB-O 3.42Å; Y446-F455 WeakPolarHBondContact CB-O 3.49Å; Y446-F455 WeakPolarHBondContact CD2-O 3.49Å; Y446-F455 PolarHBondContact N-O 3.07Å; Y446-F455 VanDerWaalsContact N-O 3.1Å; Y446-F455 PolarHBondContact O-N 3.39Å; C448-F455 HydrophobicContact CB-CE2 4.49Å; K453-F455 HydrophobicContact CB-CE2 3.95Å; K453-F455 HydrophobicContact CB-CZ 4.1Å; K453-F455 WeakPolarHBondContact O-CE2 3.41Å; F455-Q457 VanDerWaalsContact C-N 3.31Å; F455-L461 HydrophobicContact CB-CB 4.33Å; F455-L461 HydrophobicContact CD2-CB 3.96Å; F455-L461 HydrophobicContact CD2-CD1 3.79Å; F455-L461 HydrophobicContact CD2-CG 4.49Å; F455-L461 HydrophobicContact CE2-CD1 4.01Å; F455-L461 HydrophobicContact CG-CB 4.33Å; F455-H464 HydrophobicContact CE1-CB 3.99Å; F455-H464 HydrophobicContact CE2-CB 3.82Å; F455-H464 AromaticContact CE2-CD2 3.31Å; F455-H464 WeakPolarHBondContact CE2-CD2 3.31Å; F455-H464 AromaticContact CE2-CG 3.57Å; F455-H464 HydrophobicContact CZ-CB 3.42Å; F455-H464 VanDerWaalsContact CZ-CB 3.42Å; F455-H464 AromaticContact CZ-CD2 3.43Å; F455-H464 VanDerWaalsContact CZ-CD2 3.43Å; F455-H464 WeakPolarHBondContact CZ-CD2 3.35Å; F455-H464 AromaticContact CZ-CG 3.19Å; F455-H464 AromaticContact CZ-ND1 3.72Å
456	S	80.8	Confident	80.3	Confident	23 Å²	23	58.8 Å²	58.8	16%	0.161	35%	0.347	C	S	.	.	S	Bend	trans	-81.5	-11.5	178.7	55.6	0	0	0	0	113.5	R438	R438-S456 WeakPolarHBondContact CD-O 3.36Å
457	Q	81.9	Confident	79.7	Confident	71 Å²	71	61.5 Å²	61.5	33%	0.332	36%	0.364	S	S	.	.	S	Bend	trans	-135.8	142	-179.2	-60.1	-177.3	6.1	0	0	110.7	F455 S460 L461	F455-Q457 VanDerWaalsContact C-N 3.31Å; Q457-S460 PolarHBondContact O-N 2.61Å; Q457-L461 PolarHBondContact O-N 3.32Å
458	S	82.3	Confident	79.2	Confident	57 Å²	57	58.2 Å²	58.2	40%	0.399	35%	0.35	S	S	.	.	H	α-helix	trans	-64.1	-39.2	178.7	53.6	0	0	0	0	112.7	S460 L461 I462	S458-S460 VanDerWaalsContact C-N 3.26Å; S458-S460 PolarHBondContact O-N 2.85Å; S458-L461 WeakPolarHBondContact O-CB 3.45Å; S458-L461 PolarHBondContact O-N 3.41Å; S458-L461 VanDerWaalsContact O-N 3.09Å; S458-I462 WeakPolarHBondContact O-CG1 3.42Å; S458-I462 PolarHBondContact O-N 2.82Å
459	S	79.8	Confident	78.4	Confident	72 Å²	72	62.2 Å²	62.2	50%	0.503	38%	0.375	S	S	.	.	H	α-helix	trans	-59.5	-36.9	177	53.6	0	0	0	0	112.5	A463	S459-A463 WeakPolarHBondContact O-CB 3.46Å; S459-A463 PolarHBondContact O-N 3.36Å
460	S	81.3	Confident	77.7	Confident	40 Å²	40	60.9 Å²	60.9	28%	0.28	36%	0.362	S	S	.	.	H	α-helix	trans	-68.8	-38.4	175.1	-53.7	0	0	0	0	112	Q457 S458 H464	Q457-S460 PolarHBondContact O-N 2.61Å; S458-S460 VanDerWaalsContact C-N 3.26Å; S458-S460 PolarHBondContact O-N 2.85Å; S460-H464 VanDerWaalsContact O-CB 3.25Å; S460-H464 WeakPolarHBondContact O-CB 3.49Å; S460-H464 PolarHBondContact O-N 2.76Å
461	L	82.7	Confident	77.1	Confident	20 Å²	20	62 Å²	62	11%	0.105	36%	0.359	C	S	.	.	H	α-helix	trans	-64.8	-47.3	174.1	173.3	63.1	0	0	0	111.4	C448 F455 Q457 S458 A463 H464 Q465	C448-L461 HydrophobicContact CB-CD1 3.69Å; F455-L461 HydrophobicContact CB-CB 4.33Å; F455-L461 HydrophobicContact CD2-CB 3.96Å; F455-L461 HydrophobicContact CD2-CD1 3.79Å; F455-L461 HydrophobicContact CD2-CG 4.49Å; F455-L461 HydrophobicContact CE2-CD1 4.01Å; F455-L461 HydrophobicContact CG-CB 4.33Å; Q457-L461 PolarHBondContact O-N 3.32Å; S458-L461 WeakPolarHBondContact O-CB 3.45Å; S458-L461 PolarHBondContact O-N 3.41Å; S458-L461 VanDerWaalsContact O-N 3.09Å; L461-A463 VanDerWaalsContact C-N 3.34Å; L461-A463 PolarHBondContact O-N 3.44Å; L461-H464 CarbonylContact O-C 3.54Å; L461-H464 WeakPolarHBondContact O-CA 3.48Å; L461-H464 WeakPolarHBondContact O-CB 3.29Å; L461-H464 PolarHBondContact O-N 2.92Å; L461-H464 VanDerWaalsContact O-N 3.1Å; L461-Q465 HydrophobicContact CD1-CG 4.04Å; L461-Q465 HydrophobicContact CG-CG 4.36Å; L461-Q465 WeakPolarHBondContact O-CG 3.38Å; L461-Q465 PolarHBondContact O-N 3.07Å
462	I	78.9	Confident	76.7	Confident	114 Å²	114	64.6 Å²	64.6	59%	0.585	36%	0.364	S	S	*	.	H	α-helix	trans	-58.6	-47.6	179.1	-67.9	166.4	0	0	0	110.4	S458 H464 Q465 G466	S458-I462 WeakPolarHBondContact O-CG1 3.42Å; S458-I462 PolarHBondContact O-N 2.82Å; I462-H464 VanDerWaalsContact C-N 3.28Å; I462-H464 PolarHBondContact O-N 3.08Å; I462-Q465 PolarHBondContact O-N 2.98Å; I462-G466 PolarHBondContact O-N 3.04Å
463	A	73.7	Confident	76.3	Confident	21 Å²	21	67.8 Å²	67.8	17%	0.174	38%	0.378	C	S	.	.	H	α-helix	trans	-64.3	-33.9	177	0	0	0	0	0	113.3	S459 L461	S459-A463 WeakPolarHBondContact O-CB 3.46Å; S459-A463 PolarHBondContact O-N 3.36Å; L461-A463 VanDerWaalsContact C-N 3.34Å; L461-A463 PolarHBondContact O-N 3.44Å
464	H	79.4	Confident	76.1	Confident	15 Å²	15	66.2 Å²	66.2	7%	0.069	37%	0.37	C	S	.	.	H	α-helix	trans	-69.8	-38.1	174.4	170.6	66.7	0	0	0	112	C451 F455 S460 L461 I462 G466 M467 H468	C451-H464 PolarHBondContact SG-NE2 2.92Å; F455-H464 HydrophobicContact CE1-CB 3.99Å; F455-H464 HydrophobicContact CE2-CB 3.82Å; F455-H464 AromaticContact CE2-CD2 3.31Å; F455-H464 WeakPolarHBondContact CE2-CD2 3.31Å; F455-H464 AromaticContact CE2-CG 3.57Å; F455-H464 HydrophobicContact CZ-CB 3.42Å; F455-H464 VanDerWaalsContact CZ-CB 3.42Å; F455-H464 AromaticContact CZ-CD2 3.43Å; F455-H464 VanDerWaalsContact CZ-CD2 3.43Å; F455-H464 WeakPolarHBondContact CZ-CD2 3.35Å; F455-H464 AromaticContact CZ-CG 3.19Å; F455-H464 AromaticContact CZ-ND1 3.72Å; S460-H464 VanDerWaalsContact O-CB 3.25Å; S460-H464 WeakPolarHBondContact O-CB 3.49Å; S460-H464 PolarHBondContact O-N 2.76Å; L461-H464 CarbonylContact O-C 3.54Å; L461-H464 WeakPolarHBondContact O-CA 3.48Å; L461-H464 WeakPolarHBondContact O-CB 3.29Å; L461-H464 PolarHBondContact O-N 2.92Å; L461-H464 VanDerWaalsContact O-N 3.1Å; I462-H464 VanDerWaalsContact C-N 3.28Å; I462-H464 PolarHBondContact O-N 3.08Å; H464-G466 PolarHBondContact O-N 3.49Å; H464-M467 VanDerWaalsContact O-CB 3.24Å; H464-M467 WeakPolarHBondContact O-CB 3.43Å; H464-M467 PolarHBondContact O-N 2.88Å; H464-H468 AromaticContact CD2-NE2 3.87Å; H464-H468 AromaticContact CE1-NE2 3.45Å; H464-H468 PolarHBondContact CE1-NE2 3.38Å; H464-H468 AromaticContact NE2-CD2 3.84Å; H464-H468 AromaticContact NE2-NE2 3.04Å; H464-H468 PolarHBondContact NE2-NE2 3.18Å
465	Q	75.3	Confident	75.9	Confident	77 Å²	77	69.3 Å²	69.3	36%	0.36	38%	0.379	S	S	.	.	H	α-helix	trans	-60.6	-34.3	175.2	-75.1	172.4	-48.4	0	0	111.9	L461 I462 M467 H468 T469	L461-Q465 HydrophobicContact CD1-CG 4.04Å; L461-Q465 HydrophobicContact CG-CG 4.36Å; L461-Q465 WeakPolarHBondContact O-CG 3.38Å; L461-Q465 PolarHBondContact O-N 3.07Å; I462-Q465 PolarHBondContact O-N 2.98Å; Q465-M467 PolarHBondContact O-N 3.03Å; Q465-M467 VanDerWaalsContact O-N 3.12Å; Q465-H468 WeakPolarHBondContact O-CB 3.38Å; Q465-H468 PolarHBondContact O-N 2.92Å; Q465-T469 PolarHBondContact O-N 3.48Å; Q465-T469 PolarHBondContact O-OG1 3.23Å
466	G	71.6	Confident	76	Confident	11 Å²	11	67.2 Å²	67.2	11%	0.113	37%	0.37	C	S	.	.	H	α-helix	trans	-58.5	-20.5	170.9	0	0	0	0	0	114.6	I462 H464 G470 E471	I462-G466 PolarHBondContact O-N 3.04Å; H464-G466 PolarHBondContact O-N 3.49Å; G466-G470 CarbonylContact O-C 3.53Å; G466-G470 PolarHBondContact O-N 3.42Å; G466-E471 PolarHBondContact O-N 3.2Å
467	M	70.9	Confident	76	Confident	131 Å²	131	73.9 Å²	73.9	65%	0.645	40%	0.403	S	S	*	.	H	α-helix	trans	-74.1	-30.6	171.8	-61.4	178.2	52.7	0	0	112.8	H464 Q465	H464-M467 VanDerWaalsContact O-CB 3.24Å; H464-M467 WeakPolarHBondContact O-CB 3.43Å; H464-M467 PolarHBondContact O-N 2.88Å; Q465-M467 PolarHBondContact O-N 3.03Å; Q465-M467 VanDerWaalsContact O-N 3.12Å
468	H	72.8	Confident	76	Confident	72 Å²	72	75.4 Å²	75.4	33%	0.333	42%	0.417	S	S	.	.	H	α-helix	trans	-80.3	-37.8	179.5	-65.8	-56.6	0	0	0	111.9	C448 V450 C451 H464 Q465 G470	C448-H468 VanDerWaalsContact SG-CD2 3.54Å; C448-H468 PolarHBondContact SG-NE2 3.2Å; C448-H468 VanDerWaalsContact SG-NE2 3.44Å; V450-H468 HydrophobicContact CB-CB 4.45Å; V450-H468 HydrophobicContact CG1-CB 4.22Å; V450-H468 HydrophobicContact CG2-CB 4.39Å; C451-H468 VanDerWaalsContact CB-CE1 3.47Å; C451-H468 WeakPolarHBondContact CB-CE1 3.38Å; C451-H468 VanDerWaalsContact SG-CE1 3.58Å; C451-H468 PolarHBondContact SG-NE2 3.43Å; H464-H468 AromaticContact CD2-NE2 3.87Å; H464-H468 AromaticContact CE1-NE2 3.45Å; H464-H468 PolarHBondContact CE1-NE2 3.38Å; H464-H468 AromaticContact NE2-CD2 3.84Å; H464-H468 AromaticContact NE2-NE2 3.04Å; H464-H468 PolarHBondContact NE2-NE2 3.18Å; Q465-H468 WeakPolarHBondContact O-CB 3.38Å; Q465-H468 PolarHBondContact O-N 2.92Å; H468-G470 VanDerWaalsContact C-N 3.27Å
469	T	70.8	Confident	76	Confident	85 Å²	85	75.6 Å²	75.6	52%	0.521	42%	0.418	S	S	.	.	H	α-helix	trans	-81.2	-10.8	178.8	58.4	0	0	0	0	112.5	Q465 E471	Q465-T469 PolarHBondContact O-N 3.48Å; Q465-T469 PolarHBondContact O-OG1 3.23Å; T469-E471 PolarHBondContact O-N 3.12Å; T469-E471 VanDerWaalsContact O-N 3.11Å; T469-E471 WeakPolarHBondContact OG1-CB 3.3Å; T469-E471 WeakPolarHBondContact OG1-CG 3.43Å; T469-E471 PolarHBondContact OG1-N 2.83Å; T469-E471 PolarHBondContact OG1-OE2 2.8Å
470	G	66.8	Low	75.9	Confident	52 Å²	52	74 Å²	74	54%	0.536	41%	0.413	S	S	.	.			trans	68.3	-0.6	-170.8	0	0	0	0	0	113.3	G466 H468 K472	G466-G470 CarbonylContact O-C 3.53Å; G466-G470 PolarHBondContact O-N 3.42Å; H468-G470 VanDerWaalsContact C-N 3.27Å; G470-K472 PolarHBondContact O-N 3.42Å
471	E	65.4	Low	75.7	Confident	132 Å²	132	77.3 Å²	77.3	62%	0.617	42%	0.424	S	S	*	.			trans	-68.1	107.1	177	-66.2	176.7	154.5	0	0	108.7	G466 T469 P473	G466-E471 PolarHBondContact O-N 3.2Å; T469-E471 PolarHBondContact O-N 3.12Å; T469-E471 VanDerWaalsContact O-N 3.11Å; T469-E471 WeakPolarHBondContact OG1-CB 3.3Å; T469-E471 WeakPolarHBondContact OG1-CG 3.43Å; T469-E471 PolarHBondContact OG1-N 2.83Å; T469-E471 PolarHBondContact OG1-OE2 2.8Å; E471-P473 WeakPolarHBondContact O-CD 3.45Å
472	K	70.4	Confident	75.5	Confident	112 Å²	112	77.9 Å²	77.9	49%	0.487	43%	0.429	S	S	.	.			trans	-111.5	89	173.7	-76.7	159.7	153	-153.4	0	106.4	G470 Y474 S482 F483	G470-K472 PolarHBondContact O-N 3.42Å; K472-Y474 PolarHBondContact O-N 3.36Å; K472-S482 WeakPolarHBondContact CD-O 3.21Å; K472-S482 VanDerWaalsContact CE-O 3.28Å; K472-S482 WeakPolarHBondContact CE-O 3.44Å; K472-S482 PolarHBondContact NZ-O 2.85Å; K472-F483 CarbonylContact C-O 3.52Å; K472-F483 WeakPolarHBondContact CA-O 3.48Å
473	P	72.4	Confident	75.3	Confident	102 Å²	102	74.2 Å²	74.2	66%	0.662	41%	0.409	S	S	*	.			trans	-64.4	-11.6	-167.4	-21.5	33.7	0	0	0	114.1	E471	E471-P473 WeakPolarHBondContact O-CD 3.45Å
474	Y	76.5	Confident	75.2	Confident	96 Å²	96	75.1 Å²	75.1	38%	0.376	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	88.9	-174	-54.6	-72.2	0	0	0	109.8	K472 S482 F483 S484 W485 S486	K472-Y474 PolarHBondContact O-N 3.36Å; Y474-S482 WeakPolarHBondContact O-CA 3.35Å; Y474-F483 PolarHBondContact N-O 3.33Å; Y474-F483 PolarHBondContact O-N 3.1Å; Y474-S484 WeakPolarHBondContact CE2-O 3.36Å; Y474-W485 VanDerWaalsContact CD2-C 3.41Å; Y474-S486 VanDerWaalsContact CD2-N 3.25Å
475	E	78.4	Confident	74.8	Confident	109 Å²	109	80.7 Å²	80.7	51%	0.509	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	137.8	178.2	-174.6	176.7	171.6	0	0	112.3	L477 S482	E475-L477 PolarHBondContact O-N 3.24Å; E475-S482 WeakPolarHBondContact CG-OG 3.28Å
476	C	83.9	Confident	74.8	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	44%	0.441	C	S	.	.			trans	-82.8	109.2	169.1	-177.2	0	0	0	0	110.7	T478 C479 G480 E481 F483 L489 H492 H496	C476-T478 PolarHBondContact O-N 3.4Å; C476-C479 PolarHBondContact O-N 3.13Å; C476-G480 WeakPolarHBondContact O-CA 3.39Å; C476-G480 PolarHBondContact O-N 3.36Å; C476-E481 VanDerWaalsContact CB-O 3.28Å; C476-E481 WeakPolarHBondContact CB-O 3.47Å; C476-E481 PolarHBondContact N-O 3.19Å; C476-F483 HydrophobicContact CB-CE2 4.38Å; C476-L489 HydrophobicContact CB-CD1 3.59Å; C476-H492 PolarHBondContact SG-NE2 3.08Å; C476-H496 VanDerWaalsContact SG-CD2 3.54Å; C476-H496 PolarHBondContact SG-NE2 2.97Å; C476-H496 VanDerWaalsContact SG-NE2 3.45Å
477	L	81.7	Confident	75.1	Confident	162 Å²	162	82.3 Å²	82.3	85%	0.848	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-16.7	178.5	-57.7	177.9	0	0	0	114.6	E475	E475-L477 PolarHBondContact O-N 3.24Å
478	T	80.9	Confident	75.7	Confident	103 Å²	103	78.4 Å²	78.4	63%	0.632	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-30.3	-179.2	-47.4	0	0	0	0	113.3	C476 H496	C476-T478 PolarHBondContact O-N 3.4Å; T478-H496 HydrophobicContact CG2-CB 4.11Å
479	C	82	Confident	76.2	Confident	62 Å²	62	76 Å²	76	42%	0.419	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	2	-175.5	68.8	0	0	0	0	114.7	C476 E481 H492 H496	C476-C479 PolarHBondContact O-N 3.13Å; C479-E481 PolarHBondContact O-N 3.15Å; C479-E481 VanDerWaalsContact O-N 3.16Å; C479-H492 VanDerWaalsContact SG-CE1 3.53Å; C479-H492 PolarHBondContact SG-NE2 3.31Å; C479-H496 PolarHBondContact SG-NE2 3.12Å; C479-H496 VanDerWaalsContact SG-NE2 3.38Å
480	G	77.4	Confident	76.7	Confident	38 Å²	38	76.5 Å²	76.5	39%	0.392	42%	0.423	S	S	.	.			trans	72	-3.9	-178.4	0	0	0	0	0	114.7	C476 S482	C476-G480 WeakPolarHBondContact O-CA 3.39Å; C476-G480 PolarHBondContact O-N 3.36Å; G480-S482 PolarHBondContact O-N 3.2Å; G480-S482 PolarHBondContact O-OG 3.01Å
481	E	78.2	Confident	77.5	Confident	109 Å²	109	78.4 Å²	78.4	51%	0.509	42%	0.417	S	S	.	.			trans	-65.7	127	177.9	-76.8	-161.3	159	0	0	111	C476 C479 F483 H492	C476-E481 VanDerWaalsContact CB-O 3.28Å; C476-E481 WeakPolarHBondContact CB-O 3.47Å; C476-E481 PolarHBondContact N-O 3.19Å; C479-E481 PolarHBondContact O-N 3.15Å; C479-E481 VanDerWaalsContact O-N 3.16Å; E481-F483 HydrophobicContact CB-CE2 3.97Å; E481-F483 HydrophobicContact CB-CZ 4.03Å; E481-F483 VanDerWaalsContact O-CE2 3.32Å; E481-F483 WeakPolarHBondContact O-CE2 3.37Å; E481-H492 IonicContact OE2-CE1 3.09Å; E481-H492 PolarHBondContact OE2-CE1 2.97Å; E481-H492 IonicContact OE2-ND1 3.76Å; E481-H492 PolarHBondContact OE2-ND1 3.32Å
482	S	77.7	Confident	78.5	Confident	32 Å²	32	73 Å²	73	22%	0.224	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	142.8	-179	-59.6	0	0	0	0	112	K472 Y474 E475 G480	K472-S482 WeakPolarHBondContact CD-O 3.21Å; K472-S482 VanDerWaalsContact CE-O 3.28Å; K472-S482 WeakPolarHBondContact CE-O 3.44Å; K472-S482 PolarHBondContact NZ-O 2.85Å; Y474-S482 WeakPolarHBondContact O-CA 3.35Å; E475-S482 WeakPolarHBondContact CG-OG 3.28Å; G480-S482 PolarHBondContact O-N 3.2Å; G480-S482 PolarHBondContact O-OG 3.01Å
483	F	75.6	Confident	79.1	Confident	37 Å²	37	71 Å²	71	16%	0.162	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	148.8	-176.5	-59.6	-87.5	0	0	0	111.9	K472 Y474 C476 E481 N488 L489 H492	K472-F483 CarbonylContact C-O 3.52Å; K472-F483 WeakPolarHBondContact CA-O 3.48Å; Y474-F483 PolarHBondContact N-O 3.33Å; Y474-F483 PolarHBondContact O-N 3.1Å; C476-F483 HydrophobicContact CB-CE2 4.38Å; E481-F483 HydrophobicContact CB-CE2 3.97Å; E481-F483 HydrophobicContact CB-CZ 4.03Å; E481-F483 VanDerWaalsContact O-CE2 3.32Å; E481-F483 WeakPolarHBondContact O-CE2 3.37Å; F483-N488 HydrophobicContact CB-CB 4.27Å; F483-N488 HydrophobicContact CD1-CB 3.95Å; F483-N488 HydrophobicContact CG-CB 4.33Å; F483-L489 HydrophobicContact CB-CB 4.29Å; F483-L489 HydrophobicContact CD2-CB 3.84Å; F483-L489 HydrophobicContact CD2-CD1 3.77Å; F483-L489 HydrophobicContact CD2-CG 4.42Å; F483-L489 HydrophobicContact CE2-CD1 4Å; F483-L489 HydrophobicContact CG-CB 4.24Å; F483-H492 HydrophobicContact CE1-CB 3.97Å; F483-H492 HydrophobicContact CE2-CB 3.77Å; F483-H492 AromaticContact CE2-CD2 3.74Å; F483-H492 AromaticContact CE2-CG 3.57Å; F483-H492 HydrophobicContact CZ-CB 3.41Å; F483-H492 VanDerWaalsContact CZ-CB 3.41Å; F483-H492 AromaticContact CZ-CD2 3.87Å; F483-H492 AromaticContact CZ-CE1 3.97Å; F483-H492 AromaticContact CZ-CG 3.24Å; F483-H492 AromaticContact CZ-ND1 3.35Å; F483-H492 VanDerWaalsContact CZ-ND1 3.35Å; F483-H492 WeakPolarHBondContact CZ-ND1 3.44Å
484	S	70.9	Confident	79.8	Confident	41 Å²	41	68.4 Å²	68.4	29%	0.287	36%	0.361	S	S	.	.	S	Bend	trans	-75.8	-22.5	174.8	52.9	0	0	0	0	113.3	Y474	Y474-S484 WeakPolarHBondContact CE2-O 3.36Å
485	W	71.4	Confident	80.1	Confident	131 Å²	131	69.7 Å²	69.7	50%	0.496	37%	0.373	S	S	.	.	S	Bend	trans	-127.2	137	179.1	-65.3	-15.3	0	0	0	112	Y474 S487 N488 L489	Y474-W485 VanDerWaalsContact CD2-C 3.41Å; W485-S487 PolarHBondContact O-N 3.3Å; W485-N488 HydrophobicContact CB-CB 4.42Å; W485-N488 WeakPolarHBondContact O-CB 3.46Å; W485-N488 PolarHBondContact O-N 2.94Å; W485-L489 PolarHBondContact O-N 2.92Å
486	S	74.7	Confident	80.3	Confident	69 Å²	69	68 Å²	68	48%	0.483	37%	0.365	S	S	.	.	H	α-helix	trans	-56.8	-36.2	174.2	61.3	0	0	0	0	112.8	Y474 N488 L489 L490	Y474-S486 VanDerWaalsContact CD2-N 3.25Å; S486-N488 PolarHBondContact O-N 3.42Å; S486-L489 PolarHBondContact O-N 3.24Å; S486-L490 PolarHBondContact O-N 2.84Å
487	S	79.4	Confident	80.2	Confident	53 Å²	53	72 Å²	72	37%	0.371	39%	0.39	S	S	.	.	H	α-helix	trans	-64.7	-27.3	176.8	67.5	0	0	0	0	113.3	W485 K491	W485-S487 PolarHBondContact O-N 3.3Å; S487-K491 WeakPolarHBondContact O-CD 3.35Å; S487-K491 VanDerWaalsContact O-CG 3.23Å; S487-K491 WeakPolarHBondContact O-CG 3.45Å; S487-K491 PolarHBondContact O-N 3.01Å
488	N	82.6	Confident	80.2	Confident	49 Å²	49	66.5 Å²	66.5	26%	0.262	37%	0.371	S	S	.	.	H	α-helix	trans	-81.1	-40.2	177.8	-68.7	-14.7	0	0	0	110.4	F483 W485 S486 L490 K491 H492	F483-N488 HydrophobicContact CB-CB 4.27Å; F483-N488 HydrophobicContact CD1-CB 3.95Å; F483-N488 HydrophobicContact CG-CB 4.33Å; W485-N488 HydrophobicContact CB-CB 4.42Å; W485-N488 WeakPolarHBondContact O-CB 3.46Å; W485-N488 PolarHBondContact O-N 2.94Å; S486-N488 PolarHBondContact O-N 3.42Å; N488-L490 VanDerWaalsContact C-N 3.34Å; N488-L490 PolarHBondContact O-N 3.37Å; N488-K491 PolarHBondContact O-N 3.04Å; N488-H492 WeakPolarHBondContact O-CB 3.28Å; N488-H492 PolarHBondContact O-N 3.47Å
489	L	82.6	Confident	80.3	Confident	21 Å²	21	66.9 Å²	66.9	11%	0.11	37%	0.366	C	S	.	.	H	α-helix	trans	-55.8	-48.3	169.5	174.1	61.9	0	0	0	111.2	C476 F483 W485 S486 K491 H492 Q493	C476-L489 HydrophobicContact CB-CD1 3.59Å; F483-L489 HydrophobicContact CB-CB 4.29Å; F483-L489 HydrophobicContact CD2-CB 3.84Å; F483-L489 HydrophobicContact CD2-CD1 3.77Å; F483-L489 HydrophobicContact CD2-CG 4.42Å; F483-L489 HydrophobicContact CE2-CD1 4Å; F483-L489 HydrophobicContact CG-CB 4.24Å; W485-L489 PolarHBondContact O-N 2.92Å; S486-L489 PolarHBondContact O-N 3.24Å; L489-K491 VanDerWaalsContact C-N 3.3Å; L489-K491 PolarHBondContact O-N 2.99Å; L489-H492 CarbonylContact O-C 3.55Å; L489-H492 WeakPolarHBondContact O-CB 3.42Å; L489-H492 PolarHBondContact O-N 2.83Å; L489-H492 VanDerWaalsContact O-N 3.08Å; L489-Q493 HydrophobicContact CD1-CG 4.11Å; L489-Q493 HydrophobicContact CG-CG 4.41Å; L489-Q493 WeakPolarHBondContact O-CG 3.37Å; L489-Q493 PolarHBondContact O-N 3.27Å
490	L	82.4	Confident	80.5	Confident	97 Å²	97	69.8 Å²	69.8	51%	0.508	37%	0.372	S	S	.	.	H	α-helix	trans	-62.3	-35.8	179.2	-171.5	69	0	0	0	112.6	S486 N488	S486-L490 PolarHBondContact O-N 2.84Å; N488-L490 VanDerWaalsContact C-N 3.34Å; N488-L490 PolarHBondContact O-N 3.37Å
491	K	84	Confident	80.9	Confident	91 Å²	91	71.6 Å²	71.6	40%	0.396	38%	0.376	S	S	.	.	H	α-helix	trans	-69.2	-39.1	173.6	-72.5	167.5	-166.9	166.8	0	111.6	S487 N488 L489 R494	S487-K491 WeakPolarHBondContact O-CD 3.35Å; S487-K491 VanDerWaalsContact O-CG 3.23Å; S487-K491 WeakPolarHBondContact O-CG 3.45Å; S487-K491 PolarHBondContact O-N 3.01Å; N488-K491 PolarHBondContact O-N 3.04Å; L489-K491 VanDerWaalsContact C-N 3.3Å; L489-K491 PolarHBondContact O-N 2.99Å; K491-R494 WeakPolarHBondContact O-CB 3.37Å; K491-R494 PolarHBondContact O-N 3.16Å
492	H	85.1	Confident	81.3	Confident	18 Å²	18	69.8 Å²	69.8	8%	0.083	37%	0.366	C	S	.	.	H	α-helix	trans	-66.9	-41.6	177.7	167.9	94.1	0	0	0	111.4	C476 C479 E481 F483 N488 L489 R494 I495 H496	C476-H492 PolarHBondContact SG-NE2 3.08Å; C479-H492 VanDerWaalsContact SG-CE1 3.53Å; C479-H492 PolarHBondContact SG-NE2 3.31Å; E481-H492 IonicContact OE2-CE1 3.09Å; E481-H492 PolarHBondContact OE2-CE1 2.97Å; E481-H492 IonicContact OE2-ND1 3.76Å; E481-H492 PolarHBondContact OE2-ND1 3.32Å; F483-H492 HydrophobicContact CE1-CB 3.97Å; F483-H492 HydrophobicContact CE2-CB 3.77Å; F483-H492 AromaticContact CE2-CD2 3.74Å; F483-H492 AromaticContact CE2-CG 3.57Å; F483-H492 HydrophobicContact CZ-CB 3.41Å; F483-H492 VanDerWaalsContact CZ-CB 3.41Å; F483-H492 AromaticContact CZ-CD2 3.87Å; F483-H492 AromaticContact CZ-CE1 3.97Å; F483-H492 AromaticContact CZ-CG 3.24Å; F483-H492 AromaticContact CZ-ND1 3.35Å; F483-H492 VanDerWaalsContact CZ-ND1 3.35Å; F483-H492 WeakPolarHBondContact CZ-ND1 3.44Å; N488-H492 WeakPolarHBondContact O-CB 3.28Å; N488-H492 PolarHBondContact O-N 3.47Å; L489-H492 CarbonylContact O-C 3.55Å; L489-H492 WeakPolarHBondContact O-CB 3.42Å; L489-H492 PolarHBondContact O-N 2.83Å; L489-H492 VanDerWaalsContact O-N 3.08Å; H492-R494 PolarHBondContact O-N 3.05Å; H492-I495 WeakPolarHBondContact O-CB 3.48Å; H492-I495 VanDerWaalsContact O-CG1 3.29Å; H492-I495 WeakPolarHBondContact O-CG1 3.35Å; H492-I495 PolarHBondContact O-N 2.84Å; H492-H496 AromaticContact CD2-NE2 3.72Å; H492-H496 AromaticContact CE1-NE2 3.74Å; H492-H496 AromaticContact NE2-CD2 3.68Å; H492-H496 AromaticContact NE2-CE1 3.92Å; H492-H496 AromaticContact NE2-NE2 2.92Å; H492-H496 PolarHBondContact NE2-NE2 3.08Å
493	Q	83.8	Confident	81.8	Confident	71 Å²	71	75.2 Å²	75.2	33%	0.332	39%	0.385	S	S	.	.	H	α-helix	trans	-55.7	-28.1	177.8	-78	175.3	-28.1	0	0	113.3	L489 I495 H496 T497	L489-Q493 HydrophobicContact CD1-CG 4.11Å; L489-Q493 HydrophobicContact CG-CG 4.41Å; L489-Q493 WeakPolarHBondContact O-CG 3.37Å; L489-Q493 PolarHBondContact O-N 3.27Å; Q493-I495 PolarHBondContact O-N 2.84Å; Q493-H496 PolarHBondContact O-N 3.01Å; Q493-T497 PolarHBondContact O-N 2.91Å; Q493-T497 PolarHBondContact O-OG1 2.8Å
494	R	86.5	Confident	82.5	Confident	48 Å²	48	73.5 Å²	73.5	18%	0.181	38%	0.377	C	S	.	.	H	α-helix	trans	-64.3	-17.7	174	-62	-179	-172.1	159.5	6.3	114.2	K491 H492 T497 G498 E499 S512	K491-R494 WeakPolarHBondContact O-CB 3.37Å; K491-R494 PolarHBondContact O-N 3.16Å; H492-R494 PolarHBondContact O-N 3.05Å; R494-T497 WeakPolarHBondContact CA-OG1 3.44Å; R494-G498 WeakPolarHBondContact O-CA 3.36Å; R494-G498 PolarHBondContact O-N 2.98Å; R494-G498 VanDerWaalsContact O-N 3.07Å; R494-E499 HydrophobicContact CG-CB 4.42Å; R494-E499 PolarHBondContact O-N 3.06Å; R494-S512 PolarHBondContact NH1-O 3.08Å
495	I	83.2	Confident	83.3	Confident	122 Å²	122	76.5 Å²	76.5	63%	0.626	40%	0.399	S	S	*	.	H	α-helix	trans	-69.8	-42.5	172.7	-58.8	171.1	0	0	0	109.2	H492 Q493	H492-I495 WeakPolarHBondContact O-CB 3.48Å; H492-I495 VanDerWaalsContact O-CG1 3.29Å; H492-I495 WeakPolarHBondContact O-CG1 3.35Å; H492-I495 PolarHBondContact O-N 2.84Å; Q493-I495 PolarHBondContact O-N 2.84Å
496	H	82.2	Confident	83.9	Confident	73 Å²	73	75.9 Å²	75.9	34%	0.338	40%	0.401	S	S	.	.	H	α-helix	trans	-73.9	-44.6	179.5	-59.5	-52.3	0	0	0	112.3	C476 T478 C479 H492 Q493 G498	C476-H496 VanDerWaalsContact SG-CD2 3.54Å; C476-H496 PolarHBondContact SG-NE2 2.97Å; C476-H496 VanDerWaalsContact SG-NE2 3.45Å; T478-H496 HydrophobicContact CG2-CB 4.11Å; C479-H496 PolarHBondContact SG-NE2 3.12Å; C479-H496 VanDerWaalsContact SG-NE2 3.38Å; H492-H496 AromaticContact CD2-NE2 3.72Å; H492-H496 AromaticContact CE1-NE2 3.74Å; H492-H496 AromaticContact NE2-CD2 3.68Å; H492-H496 AromaticContact NE2-CE1 3.92Å; H492-H496 AromaticContact NE2-NE2 2.92Å; H492-H496 PolarHBondContact NE2-NE2 3.08Å; Q493-H496 PolarHBondContact O-N 3.01Å; H496-G498 VanDerWaalsContact C-N 3.27Å; H496-G498 PolarHBondContact O-N 3.38Å
497	T	82.3	Confident	84.5	Confident	86 Å²	86	75.2 Å²	75.2	53%	0.528	40%	0.396	S	S	.	.	H	α-helix	trans	-78.3	-14	-179.3	63.2	0	0	0	0	113	Q493 R494 E499	Q493-T497 PolarHBondContact O-N 2.91Å; Q493-T497 PolarHBondContact O-OG1 2.8Å; R494-T497 WeakPolarHBondContact CA-OG1 3.44Å; T497-E499 PolarHBondContact O-N 3.04Å; T497-E499 VanDerWaalsContact O-N 3.14Å; T497-E499 WeakPolarHBondContact OG1-CG 3.33Å; T497-E499 PolarHBondContact OG1-N 3.02Å
498	G	81.8	Confident	84.8	Confident	45 Å²	45	74.3 Å²	74.3	46%	0.464	40%	0.395	S	S	.	.			trans	66.3	7.9	-174.2	0	0	0	0	0	114	R494 H496 K500	R494-G498 WeakPolarHBondContact O-CA 3.36Å; R494-G498 PolarHBondContact O-N 2.98Å; R494-G498 VanDerWaalsContact O-N 3.07Å; H496-G498 VanDerWaalsContact C-N 3.27Å; H496-G498 PolarHBondContact O-N 3.38Å; G498-K500 PolarHBondContact O-N 3.05Å
499	E	81.8	Confident	85	Confident	112 Å²	112	78.1 Å²	78.1	52%	0.523	41%	0.41	S	S	.	.			trans	-61.6	123.9	-178.1	-77.3	-177.8	-178.1	0	0	111.3	R494 T497 P501	R494-E499 HydrophobicContact CG-CB 4.42Å; R494-E499 PolarHBondContact O-N 3.06Å; T497-E499 PolarHBondContact O-N 3.04Å; T497-E499 VanDerWaalsContact O-N 3.14Å; T497-E499 WeakPolarHBondContact OG1-CG 3.33Å; T497-E499 PolarHBondContact OG1-N 3.02Å; E499-P501 WeakPolarHBondContact O-CD 3.33Å
500	K	86.2	Confident	85.2	Confident	122 Å²	122	79.6 Å²	79.6	53%	0.53	42%	0.421	S	S	.	.			trans	-124.2	76.9	177.9	-71	171.1	176.9	-178.6	0	110.1	G498 Y502 C510 F511	G498-K500 PolarHBondContact O-N 3.05Å; K500-Y502 PolarHBondContact O-N 3.31Å; K500-Y502 VanDerWaalsContact O-N 3.11Å; K500-C510 HydrophobicContact CB-CB 3.53Å; K500-C510 HydrophobicContact CD-CB 4.3Å; K500-C510 WeakPolarHBondContact CD-O 3.47Å; K500-F511 CarbonylContact C-O 3.53Å; K500-F511 VanDerWaalsContact CA-O 3.25Å; K500-F511 WeakPolarHBondContact CA-O 3.46Å
501	P	85.9	Confident	85.4	Confident	76 Å²	76	76.8 Å²	76.8	49%	0.494	41%	0.405	S	S	.	.			trans	-65.4	-17.8	-171.7	-21.8	34	0	0	0	114.2	E499	E499-P501 WeakPolarHBondContact O-CD 3.33Å
502	Y	88.3	Confident	85.5	Confident	72 Å²	72	73.6 Å²	73.6	28%	0.282	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	97.3	-171.3	-57.3	-80.4	0	0	0	110.4	K500 C510 F511 Q513 R514	K500-Y502 PolarHBondContact O-N 3.31Å; K500-Y502 VanDerWaalsContact O-N 3.11Å; Y502-C510 CarbonylContact O-C 3.47Å; Y502-C510 WeakPolarHBondContact O-CA 3.42Å; Y502-F511 WeakPolarHBondContact CB-O 3.2Å; Y502-F511 WeakPolarHBondContact CD2-O 3.33Å; Y502-F511 PolarHBondContact N-O 2.77Å; Y502-F511 VanDerWaalsContact N-O 3.12Å; Y502-F511 PolarHBondContact O-N 3.37Å; Y502-Q513 VanDerWaalsContact CD2-C 3.46Å; Y502-R514 HydrophobicContact CD1-CB 3.95Å; Y502-R514 HydrophobicContact CD1-CG 4.36Å; Y502-R514 HydrophobicContact CE1-CB 3.71Å; Y502-R514 HydrophobicContact CE1-CG 4.3Å; Y502-R514 HydrophobicContact CG-CB 4.45Å
503	K	86.9	Confident	85.5	Confident	146 Å²	146	76 Å²	76	64%	0.635	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	133.5	178.5	-173.5	176.6	-179.9	-176.1	0	111.6
504	C	90.4	Very high	85.6	Confident	0 Å²	0	81 Å²	81	0%	0	42%	0.421	C	S	.	.			trans	-75.7	125.8	169	-174.3	0	0	0	0	110	E506 C507 G508 K509 F511 L517 H524	C504-E506 VanDerWaalsContact C-N 3.32Å; C504-E506 PolarHBondContact O-N 2.99Å; C504-C507 VanDerWaalsContact SG-SG 3.61Å; C504-G508 WeakPolarHBondContact O-CA 3.46Å; C504-G508 PolarHBondContact O-N 2.78Å; C504-K509 VanDerWaalsContact CB-O 3.28Å; C504-K509 WeakPolarHBondContact CB-O 3.32Å; C504-K509 PolarHBondContact N-O 3.2Å; C504-F511 HydrophobicContact CB-CE2 4.38Å; C504-L517 HydrophobicContact CB-CD1 3.66Å; C504-H524 PolarHBondContact SG-NE2 3.27Å; C504-H524 VanDerWaalsContact SG-NE2 3.41Å
505	S	86.9	Confident	85.5	Confident	105 Å²	105	82 Å²	82	73%	0.734	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-33.2	179.1	44.4	0	0	0	0	112.8
506	E	85.6	Confident	85.7	Confident	118 Å²	118	79.9 Å²	79.9	55%	0.551	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-36.6	-171.3	-66.5	172.9	-153.4	0	0	113.6	C504 H524	C504-E506 VanDerWaalsContact C-N 3.32Å; C504-E506 PolarHBondContact O-N 2.99Å; E506-H524 WeakPolarHBondContact OE2-CB 3.5Å; E506-H524 IonicContact OE2-CD2 3.07Å; E506-H524 PolarHBondContact OE2-CD2 3.38Å; E506-H524 IonicContact OE2-CG 3.56Å
507	C	87.2	Confident	86	Confident	54 Å²	54	77.3 Å²	77.3	37%	0.365	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	2.8	-176.9	73.8	0	0	0	0	113.9	C504 K509 H520 H524	C504-C507 VanDerWaalsContact SG-SG 3.61Å; C507-K509 PolarHBondContact O-N 3.49Å; C507-K509 VanDerWaalsContact SG-CG 3.59Å; C507-H520 PolarHBondContact SG-NE2 3.45Å; C507-H524 PolarHBondContact SG-NE2 2.91Å; C507-H524 VanDerWaalsContact SG-NE2 3.44Å
508	G	84.8	Confident	86.2	Confident	35 Å²	35	75.8 Å²	75.8	36%	0.361	40%	0.402	S	S	.	.			trans	70	-4.1	179.5	0	0	0	0	0	115.8	C504 C510	C504-G508 WeakPolarHBondContact O-CA 3.46Å; C504-G508 PolarHBondContact O-N 2.78Å; G508-C510 PolarHBondContact O-N 2.94Å
509	K	86.2	Confident	86.5	Confident	129 Å²	129	75.7 Å²	75.7	56%	0.561	39%	0.392	S	S	*	.			trans	-64.4	133.7	-179.2	-71.1	-179.9	-178.2	176.7	0	111.5	C504 C507 F511	C504-K509 VanDerWaalsContact CB-O 3.28Å; C504-K509 WeakPolarHBondContact CB-O 3.32Å; C504-K509 PolarHBondContact N-O 3.2Å; C507-K509 PolarHBondContact O-N 3.49Å; C507-K509 VanDerWaalsContact SG-CG 3.59Å; K509-F511 HydrophobicContact CB-CE2 3.92Å; K509-F511 HydrophobicContact CB-CZ 4.09Å; K509-F511 WeakPolarHBondContact O-CE2 3.2Å
510	C	88	Confident	86.8	Confident	52 Å²	52	71.4 Å²	71.4	35%	0.351	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	145.2	179.4	-58.1	0	0	0	0	111.9	K500 Y502 G508	K500-C510 HydrophobicContact CB-CB 3.53Å; K500-C510 HydrophobicContact CD-CB 4.3Å; K500-C510 WeakPolarHBondContact CD-O 3.47Å; Y502-C510 CarbonylContact O-C 3.47Å; Y502-C510 WeakPolarHBondContact O-CA 3.42Å; G508-C510 PolarHBondContact O-N 2.94Å
511	F	87.1	Confident	86.8	Confident	38 Å²	38	68.6 Å²	68.6	17%	0.167	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	149.5	-179.6	-59.9	-88.4	0	0	0	111	K500 Y502 C504 K509 Q513 Q516 L517 H520	K500-F511 CarbonylContact C-O 3.53Å; K500-F511 VanDerWaalsContact CA-O 3.25Å; K500-F511 WeakPolarHBondContact CA-O 3.46Å; Y502-F511 WeakPolarHBondContact CB-O 3.2Å; Y502-F511 WeakPolarHBondContact CD2-O 3.33Å; Y502-F511 PolarHBondContact N-O 2.77Å; Y502-F511 VanDerWaalsContact N-O 3.12Å; Y502-F511 PolarHBondContact O-N 3.37Å; C504-F511 HydrophobicContact CB-CE2 4.38Å; K509-F511 HydrophobicContact CB-CE2 3.92Å; K509-F511 HydrophobicContact CB-CZ 4.09Å; K509-F511 WeakPolarHBondContact O-CE2 3.2Å; F511-Q513 VanDerWaalsContact C-N 3.33Å; F511-Q516 HydrophobicContact CB-CB 4.06Å; F511-Q516 HydrophobicContact CD1-CB 3.77Å; F511-Q516 HydrophobicContact CG-CB 4.16Å; F511-L517 HydrophobicContact CB-CB 4.38Å; F511-L517 HydrophobicContact CD2-CB 3.98Å; F511-L517 HydrophobicContact CD2-CD1 3.85Å; F511-L517 HydrophobicContact CE2-CD1 4.05Å; F511-L517 HydrophobicContact CG-CB 4.34Å; F511-H520 HydrophobicContact CE1-CB 3.92Å; F511-H520 HydrophobicContact CE2-CB 3.84Å; F511-H520 AromaticContact CE2-CD2 3.28Å; F511-H520 WeakPolarHBondContact CE2-CD2 3.25Å; F511-H520 AromaticContact CE2-CG 3.61Å; F511-H520 HydrophobicContact CZ-CB 3.39Å; F511-H520 AromaticContact CZ-CD2 3.35Å; F511-H520 WeakPolarHBondContact CZ-CD2 3.34Å; F511-H520 AromaticContact CZ-CG 3.19Å; F511-H520 AromaticContact CZ-ND1 3.87Å
512	S	84.9	Confident	86.9	Confident	23 Å²	23	67.2 Å²	67.2	16%	0.161	35%	0.346	C	S	.	.	S	Bend	trans	-80.8	-16.2	179	58.9	0	0	0	0	112.8	R494 Q516	R494-S512 PolarHBondContact NH1-O 3.08Å; S512-Q516 PolarHBondContact OG-OE1 3.38Å
513	Q	85.9	Confident	86.8	Confident	69 Å²	69	68.1 Å²	68.1	32%	0.322	36%	0.359	S	S	.	.	S	Bend	trans	-135.4	143.9	-180	-56.1	-178.4	16.6	0	0	112	Y502 F511 S515 Q516 L517	Y502-Q513 VanDerWaalsContact CD2-C 3.46Å; F511-Q513 VanDerWaalsContact C-N 3.33Å; Q513-S515 VanDerWaalsContact C-N 3.32Å; Q513-S515 PolarHBondContact O-N 3.13Å; Q513-Q516 HydrophobicContact CB-CG 4.14Å; Q513-Q516 WeakPolarHBondContact O-CB 3.48Å; Q513-Q516 PolarHBondContact O-N 3.23Å; Q513-L517 PolarHBondContact O-N 2.89Å
514	R	85.9	Confident	86.8	Confident	176 Å²	176	64.6 Å²	64.6	66%	0.664	35%	0.345	S	S	*	.	H	α-helix	trans	-60.3	-38.1	177.5	-171.9	177.2	179.5	120.7	0.2	113	Y502 Q516 L517 V518	Y502-R514 HydrophobicContact CD1-CB 3.95Å; Y502-R514 HydrophobicContact CD1-CG 4.36Å; Y502-R514 HydrophobicContact CE1-CB 3.71Å; Y502-R514 HydrophobicContact CE1-CG 4.3Å; Y502-R514 HydrophobicContact CG-CB 4.45Å; R514-Q516 VanDerWaalsContact C-N 3.27Å; R514-Q516 PolarHBondContact O-N 3.5Å; R514-L517 WeakPolarHBondContact O-CB 3.38Å; R514-L517 PolarHBondContact O-N 2.72Å; R514-V518 HydrophobicContact CG-CG2 4.49Å; R514-V518 WeakPolarHBondContact O-CG2 2.93Å; R514-V518 PolarHBondContact O-N 3.48Å
515	S	84.9	Confident	86.5	Confident	70 Å²	70	68.2 Å²	68.2	49%	0.49	37%	0.367	S	S	.	.	H	α-helix	trans	-59.9	-38.3	178	51.5	0	0	0	0	112.3	Q513 V518 V519	Q513-S515 VanDerWaalsContact C-N 3.32Å; Q513-S515 PolarHBondContact O-N 3.13Å; S515-V518 PolarHBondContact O-N 2.78Å; S515-V519 WeakPolarHBondContact O-CG2 3.38Å; S515-V519 PolarHBondContact O-N 3.46Å
516	Q	87.4	Confident	86.4	Confident	76 Å²	76	65.4 Å²	65.4	36%	0.355	36%	0.355	S	S	.	.	H	α-helix	trans	-68	-41.1	176.5	-63.8	172.1	-2.5	0	0	111.2	F511 S512 Q513 R514 V519 H520	F511-Q516 HydrophobicContact CB-CB 4.06Å; F511-Q516 HydrophobicContact CD1-CB 3.77Å; F511-Q516 HydrophobicContact CG-CB 4.16Å; S512-Q516 PolarHBondContact OG-OE1 3.38Å; Q513-Q516 HydrophobicContact CB-CG 4.14Å; Q513-Q516 WeakPolarHBondContact O-CB 3.48Å; Q513-Q516 PolarHBondContact O-N 3.23Å; R514-Q516 VanDerWaalsContact C-N 3.27Å; R514-Q516 PolarHBondContact O-N 3.5Å; Q516-V519 PolarHBondContact O-N 3.42Å; Q516-H520 VanDerWaalsContact O-CB 3.26Å; Q516-H520 WeakPolarHBondContact O-CB 3.34Å; Q516-H520 PolarHBondContact O-N 3.31Å
517	L	88.6	Confident	86.3	Confident	19 Å²	19	65 Å²	65	10%	0.099	35%	0.353	C	S	.	.	H	α-helix	trans	-60.4	-46.6	173.8	173.8	62.3	0	0	0	111.4	C504 F511 Q513 R514 V519 H520 Q521	C504-L517 HydrophobicContact CB-CD1 3.66Å; F511-L517 HydrophobicContact CB-CB 4.38Å; F511-L517 HydrophobicContact CD2-CB 3.98Å; F511-L517 HydrophobicContact CD2-CD1 3.85Å; F511-L517 HydrophobicContact CE2-CD1 4.05Å; F511-L517 HydrophobicContact CG-CB 4.34Å; Q513-L517 PolarHBondContact O-N 2.89Å; R514-L517 WeakPolarHBondContact O-CB 3.38Å; R514-L517 PolarHBondContact O-N 2.72Å; L517-V519 PolarHBondContact O-N 3.02Å; L517-H520 CarbonylContact O-C 3.27Å; L517-H520 WeakPolarHBondContact O-CA 3.27Å; L517-H520 WeakPolarHBondContact O-CB 3.33Å; L517-H520 PolarHBondContact O-N 2.98Å; L517-H520 VanDerWaalsContact O-N 3.14Å; L517-Q521 HydrophobicContact CD1-CG 4.19Å; L517-Q521 HydrophobicContact CG-CG 4.49Å; L517-Q521 WeakPolarHBondContact O-CG 3.05Å; L517-Q521 PolarHBondContact O-N 2.79Å
518	V	86.3	Confident	86.3	Confident	55 Å²	55	68.4 Å²	68.4	33%	0.333	36%	0.362	S	S	.	.	H	α-helix	trans	-62.3	-44.1	179	172.3	0	0	0	0	111.5	R514 S515 H520 Q521 R522	R514-V518 HydrophobicContact CG-CG2 4.49Å; R514-V518 WeakPolarHBondContact O-CG2 2.93Å; R514-V518 PolarHBondContact O-N 3.48Å; S515-V518 PolarHBondContact O-N 2.78Å; V518-H520 VanDerWaalsContact C-N 3.26Å; V518-H520 PolarHBondContact O-N 3.26Å; V518-Q521 PolarHBondContact O-N 2.81Å; V518-R522 PolarHBondContact O-N 2.93Å
519	V	86.9	Confident	86.4	Confident	43 Å²	43	70.4 Å²	70.4	26%	0.261	37%	0.368	S	S	.	.	H	α-helix	trans	-64	-36	175.4	170.4	0	0	0	0	111.2	S515 Q516 L517 R522 R541	S515-V519 WeakPolarHBondContact O-CG2 3.38Å; S515-V519 PolarHBondContact O-N 3.46Å; Q516-V519 PolarHBondContact O-N 3.42Å; L517-V519 PolarHBondContact O-N 3.02Å; V519-R522 WeakPolarHBondContact O-CB 3.24Å; V519-R522 PolarHBondContact O-N 3.21Å; V519-R541 HydrophobicContact CG1-CG 3.72Å
520	H	88.1	Confident	86.5	Confident	21 Å²	21	68.5 Å²	68.5	10%	0.097	36%	0.358	C	S	.	.	H	α-helix	trans	-68.7	-40.4	175	171.5	57.2	0	0	0	112.5	C507 F511 Q516 L517 V518 R522 T523 H524	C507-H520 PolarHBondContact SG-NE2 3.45Å; F511-H520 HydrophobicContact CE1-CB 3.92Å; F511-H520 HydrophobicContact CE2-CB 3.84Å; F511-H520 AromaticContact CE2-CD2 3.28Å; F511-H520 WeakPolarHBondContact CE2-CD2 3.25Å; F511-H520 AromaticContact CE2-CG 3.61Å; F511-H520 HydrophobicContact CZ-CB 3.39Å; F511-H520 AromaticContact CZ-CD2 3.35Å; F511-H520 WeakPolarHBondContact CZ-CD2 3.34Å; F511-H520 AromaticContact CZ-CG 3.19Å; F511-H520 AromaticContact CZ-ND1 3.87Å; Q516-H520 VanDerWaalsContact O-CB 3.26Å; Q516-H520 WeakPolarHBondContact O-CB 3.34Å; Q516-H520 PolarHBondContact O-N 3.31Å; L517-H520 CarbonylContact O-C 3.27Å; L517-H520 WeakPolarHBondContact O-CA 3.27Å; L517-H520 WeakPolarHBondContact O-CB 3.33Å; L517-H520 PolarHBondContact O-N 2.98Å; L517-H520 VanDerWaalsContact O-N 3.14Å; V518-H520 VanDerWaalsContact C-N 3.26Å; V518-H520 PolarHBondContact O-N 3.26Å; H520-R522 PolarHBondContact O-N 3.49Å; H520-R522 VanDerWaalsContact O-N 3.15Å; H520-T523 PolarHBondContact ND1-OG1 3.22Å; H520-T523 WeakPolarHBondContact O-CB 3.28Å; H520-T523 PolarHBondContact O-N 3.4Å; H520-T523 PolarHBondContact O-OG1 3.25Å; H520-H524 AromaticContact CE1-CE1 3.72Å; H520-H524 AromaticContact CE1-NE2 3.57Å; H520-H524 AromaticContact NE2-CE1 3.75Å; H520-H524 AromaticContact NE2-NE2 3.17Å; H520-H524 PolarHBondContact NE2-NE2 3.14Å; H520-H524 VanDerWaalsContact NE2-NE2 3.17Å
521	Q	86.6	Confident	86.4	Confident	63 Å²	63	72.1 Å²	72.1	29%	0.294	37%	0.368	S	S	.	.	H	α-helix	trans	-57.6	-31.9	177.4	-76.6	172.6	-39.2	0	0	112.1	L517 V518 T523 H524 T525	L517-Q521 HydrophobicContact CD1-CG 4.19Å; L517-Q521 HydrophobicContact CG-CG 4.49Å; L517-Q521 WeakPolarHBondContact O-CG 3.05Å; L517-Q521 PolarHBondContact O-N 2.79Å; V518-Q521 PolarHBondContact O-N 2.81Å; Q521-T523 PolarHBondContact O-N 3.08Å; Q521-T523 VanDerWaalsContact O-N 3.13Å; Q521-H524 PolarHBondContact O-N 3.09Å; Q521-T525 PolarHBondContact O-N 3.21Å; Q521-T525 VanDerWaalsContact O-N 3.12Å
522	R	88.4	Confident	86.6	Confident	48 Å²	48	70.3 Å²	70.3	18%	0.181	36%	0.36	C	S	.	.	H	α-helix	trans	-61	-20.1	172.8	-61.8	176.8	-176.6	167.2	0.6	114.2	V518 V519 H520 H524 T525 G526 E527 S540	V518-R522 PolarHBondContact O-N 2.93Å; V519-R522 WeakPolarHBondContact O-CB 3.24Å; V519-R522 PolarHBondContact O-N 3.21Å; H520-R522 PolarHBondContact O-N 3.49Å; H520-R522 VanDerWaalsContact O-N 3.15Å; R522-H524 VanDerWaalsContact C-N 3.27Å; R522-T525 WeakPolarHBondContact CA-OG1 3.45Å; R522-G526 WeakPolarHBondContact O-CA 3.41Å; R522-G526 PolarHBondContact O-N 3.3Å; R522-E527 HydrophobicContact CG-CB 4.32Å; R522-E527 PolarHBondContact O-N 3.18Å; R522-S540 WeakPolarHBondContact CD-O 3.43Å; R522-S540 PolarHBondContact NH1-O 3.33Å
523	T	86.3	Confident	86.7	Confident	91 Å²	91	76.7 Å²	76.7	56%	0.558	39%	0.391	S	S	*	.	H	α-helix	trans	-73.7	-24	174.5	69	0	0	0	0	112.4	H520 Q521	H520-T523 PolarHBondContact ND1-OG1 3.22Å; H520-T523 WeakPolarHBondContact O-CB 3.28Å; H520-T523 PolarHBondContact O-N 3.4Å; H520-T523 PolarHBondContact O-OG1 3.25Å; Q521-T523 PolarHBondContact O-N 3.08Å; Q521-T523 VanDerWaalsContact O-N 3.13Å
524	H	85.8	Confident	86.5	Confident	72 Å²	72	80.5 Å²	80.5	33%	0.333	41%	0.411	S	S	.	.	H	α-helix	trans	-90.1	-43.1	177.6	-54.4	-47	0	0	0	111.5	C504 E506 C507 H520 Q521 R522 G526	C504-H524 PolarHBondContact SG-NE2 3.27Å; C504-H524 VanDerWaalsContact SG-NE2 3.41Å; E506-H524 WeakPolarHBondContact OE2-CB 3.5Å; E506-H524 IonicContact OE2-CD2 3.07Å; E506-H524 PolarHBondContact OE2-CD2 3.38Å; E506-H524 IonicContact OE2-CG 3.56Å; C507-H524 PolarHBondContact SG-NE2 2.91Å; C507-H524 VanDerWaalsContact SG-NE2 3.44Å; H520-H524 AromaticContact CE1-CE1 3.72Å; H520-H524 AromaticContact CE1-NE2 3.57Å; H520-H524 AromaticContact NE2-CE1 3.75Å; H520-H524 AromaticContact NE2-NE2 3.17Å; H520-H524 PolarHBondContact NE2-NE2 3.14Å; H520-H524 VanDerWaalsContact NE2-NE2 3.17Å; Q521-H524 PolarHBondContact O-N 3.09Å; R522-H524 VanDerWaalsContact C-N 3.27Å; H524-G526 VanDerWaalsContact C-N 3.25Å; H524-G526 PolarHBondContact O-N 2.82Å
525	T	85.1	Confident	86.6	Confident	75 Å²	75	74.6 Å²	74.6	46%	0.46	40%	0.396	S	S	.	.	H	α-helix	trans	-75.1	-16.5	177.8	64	0	0	0	0	113.2	Q521 R522 E527	Q521-T525 PolarHBondContact O-N 3.21Å; Q521-T525 VanDerWaalsContact O-N 3.12Å; R522-T525 WeakPolarHBondContact CA-OG1 3.45Å; T525-E527 PolarHBondContact O-N 2.77Å; T525-E527 WeakPolarHBondContact OG1-CG 3.47Å; T525-E527 PolarHBondContact OG1-N 3Å
526	G	83.7	Confident	86.5	Confident	47 Å²	47	73 Å²	73	49%	0.485	39%	0.39	S	S	.	.			trans	69.9	7.1	-175.1	0	0	0	0	0	114	R522 H524 K528	R522-G526 WeakPolarHBondContact O-CA 3.41Å; R522-G526 PolarHBondContact O-N 3.3Å; H524-G526 VanDerWaalsContact C-N 3.25Å; H524-G526 PolarHBondContact O-N 2.82Å; G526-K528 PolarHBondContact O-N 3.48Å
527	E	84.8	Confident	86.5	Confident	110 Å²	110	75.5 Å²	75.5	51%	0.514	40%	0.4	S	S	.	.			trans	-60.2	126.4	-178.9	-77.9	179.1	-171.4	0	0	111.9	R522 T525 P529	R522-E527 HydrophobicContact CG-CB 4.32Å; R522-E527 PolarHBondContact O-N 3.18Å; T525-E527 PolarHBondContact O-N 2.77Å; T525-E527 WeakPolarHBondContact OG1-CG 3.47Å; T525-E527 PolarHBondContact OG1-N 3Å; E527-P529 WeakPolarHBondContact O-CD 3.37Å
528	K	87.3	Confident	86.5	Confident	125 Å²	125	76.7 Å²	76.7	54%	0.543	41%	0.41	S	S	.	.			trans	-125.8	76.6	177.1	-69.1	174.2	-179	-176.9	0	110.1	G526 Y530 S538 F539	G526-K528 PolarHBondContact O-N 3.48Å; K528-Y530 PolarHBondContact O-N 3.48Å; K528-S538 WeakPolarHBondContact CD-O 3.22Å; K528-S538 WeakPolarHBondContact O-CB 3.45Å; K528-F539 CarbonylContact C-O 3.51Å; K528-F539 VanDerWaalsContact C-O 3.23Å; K528-F539 VanDerWaalsContact CA-O 3.26Å; K528-F539 WeakPolarHBondContact CA-O 3.39Å
529	P	86.2	Confident	86.5	Confident	76 Å²	76	75.8 Å²	75.8	49%	0.494	40%	0.402	S	S	.	.			trans	-66.7	-19.8	-171.9	-20.9	33.7	0	0	0	114.1	E527	E527-P529 WeakPolarHBondContact O-CD 3.37Å
530	Y	88.3	Confident	86.4	Confident	89 Å²	89	75.4 Å²	75.4	35%	0.349	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	96.1	-172.1	-57.4	-80.1	0	0	0	110.3	K528 S538 F539 G542	K528-Y530 PolarHBondContact O-N 3.48Å; Y530-S538 CarbonylContact O-C 3.57Å; Y530-S538 WeakPolarHBondContact O-CA 3.4Å; Y530-F539 WeakPolarHBondContact CD2-O 3.41Å; Y530-F539 PolarHBondContact N-O 3.09Å; Y530-F539 VanDerWaalsContact N-O 3.14Å; Y530-F539 PolarHBondContact O-N 3.42Å; Y530-G542 VanDerWaalsContact CD2-N 3.28Å; Y530-G542 VanDerWaalsContact CE2-N 3.29Å
531	K	86.3	Confident	86.2	Confident	129 Å²	129	80.4 Å²	80.4	56%	0.561	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	131.5	179.5	-169.7	175.7	-179.9	-176.6	0	111.4
532	C	90.8	Very high	86.1	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	42%	0.415	C	S	.	.			trans	-76.5	123.5	168.9	-176.2	0	0	0	0	109.6	M534 C535 G536 K537 F539 L545	C532-M534 VanDerWaalsContact C-N 3.34Å; C532-C535 VanDerWaalsContact SG-SG 3.68Å; C532-G536 WeakPolarHBondContact O-CA 2.99Å; C532-G536 PolarHBondContact O-N 3.2Å; C532-K537 VanDerWaalsContact CB-O 3.3Å; C532-K537 WeakPolarHBondContact CB-O 3.34Å; C532-K537 PolarHBondContact N-O 3.49Å; C532-F539 HydrophobicContact CB-CE2 4.26Å; C532-L545 HydrophobicContact CB-CD1 3.56Å
533	L	86.8	Confident	85.8	Confident	156 Å²	156	79.5 Å²	79.5	82%	0.817	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-27.1	179.3	-59.1	178.9	0	0	0	112.5
534	M	82.4	Confident	85.7	Confident	150 Å²	150	77.6 Å²	77.6	74%	0.739	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-35.6	-177.8	-57.6	-53.2	-66.9	0	0	113.6	C532	C532-M534 VanDerWaalsContact C-N 3.34Å
535	C	87.1	Confident	85.7	Confident	52 Å²	52	75.2 Å²	75.2	35%	0.351	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.2	4.7	-173.8	72.5	0	0	0	0	114	C532 K537 H548 H552	C532-C535 VanDerWaalsContact SG-SG 3.68Å; C535-K537 PolarHBondContact O-N 3.48Å; C535-K537 VanDerWaalsContact O-N 3.07Å; C535-H548 PolarHBondContact SG-NE2 2.9Å; C535-H552 PolarHBondContact SG-NE2 3.28Å; C535-H552 VanDerWaalsContact SG-NE2 3.45Å
536	G	83.3	Confident	85.6	Confident	36 Å²	36	75 Å²	75	37%	0.371	40%	0.404	S	S	.	.			trans	71.4	-4.7	179.5	0	0	0	0	0	116	C532 S538	C532-G536 WeakPolarHBondContact O-CA 2.99Å; C532-G536 PolarHBondContact O-N 3.2Å; G536-S538 PolarHBondContact O-N 3.38Å
537	K	86.6	Confident	85.3	Confident	129 Å²	129	75.7 Å²	75.7	56%	0.561	40%	0.395	S	S	*	.			trans	-68	131.5	-178.3	-68.9	179.8	-178.1	178.7	0	111.5	C532 C535 F539	C532-K537 VanDerWaalsContact CB-O 3.3Å; C532-K537 WeakPolarHBondContact CB-O 3.34Å; C532-K537 PolarHBondContact N-O 3.49Å; C535-K537 PolarHBondContact O-N 3.48Å; C535-K537 VanDerWaalsContact O-N 3.07Å; K537-F539 HydrophobicContact CB-CE2 3.96Å; K537-F539 HydrophobicContact CB-CZ 3.9Å; K537-F539 WeakPolarHBondContact O-CE2 3.47Å
538	S	88.8	Confident	85.3	Confident	43 Å²	43	71.9 Å²	71.9	30%	0.301	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	148.1	178.3	-56.5	0	0	0	0	112.6	K528 Y530 G536	K528-S538 WeakPolarHBondContact CD-O 3.22Å; K528-S538 WeakPolarHBondContact O-CB 3.45Å; Y530-S538 CarbonylContact O-C 3.57Å; Y530-S538 WeakPolarHBondContact O-CA 3.4Å; G536-S538 PolarHBondContact O-N 3.38Å
539	F	87.1	Confident	85	Confident	37 Å²	37	69.3 Å²	69.3	16%	0.162	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	151.9	-177.5	-56.3	-83.4	0	0	0	111.8	K528 Y530 C532 K537 I544 L545 H548	K528-F539 CarbonylContact C-O 3.51Å; K528-F539 VanDerWaalsContact C-O 3.23Å; K528-F539 VanDerWaalsContact CA-O 3.26Å; K528-F539 WeakPolarHBondContact CA-O 3.39Å; Y530-F539 WeakPolarHBondContact CD2-O 3.41Å; Y530-F539 PolarHBondContact N-O 3.09Å; Y530-F539 VanDerWaalsContact N-O 3.14Å; Y530-F539 PolarHBondContact O-N 3.42Å; C532-F539 HydrophobicContact CB-CE2 4.26Å; K537-F539 HydrophobicContact CB-CE2 3.96Å; K537-F539 HydrophobicContact CB-CZ 3.9Å; K537-F539 WeakPolarHBondContact O-CE2 3.47Å; F539-I544 HydrophobicContact CB-CB 4.29Å; F539-I544 HydrophobicContact CB-CG2 4.26Å; F539-I544 HydrophobicContact CD1-CB 4.31Å; F539-I544 HydrophobicContact CD1-CG2 3.39Å; F539-I544 HydrophobicContact CE1-CG2 4Å; F539-I544 HydrophobicContact CG-CB 4.47Å; F539-I544 HydrophobicContact CG-CG2 4Å; F539-L545 HydrophobicContact CB-CB 4.49Å; F539-L545 HydrophobicContact CD2-CB 3.97Å; F539-L545 HydrophobicContact CD2-CD1 3.86Å; F539-L545 HydrophobicContact CE2-CD1 4.03Å; F539-H548 HydrophobicContact CE1-CB 4.19Å; F539-H548 HydrophobicContact CE2-CB 3.78Å; F539-H548 AromaticContact CE2-CD2 3.44Å; F539-H548 VanDerWaalsContact CE2-CD2 3.44Å; F539-H548 WeakPolarHBondContact CE2-CD2 3.24Å; F539-H548 AromaticContact CE2-CG 3.62Å; F539-H548 HydrophobicContact CZ-CB 3.53Å; F539-H548 AromaticContact CZ-CD2 3.45Å; F539-H548 VanDerWaalsContact CZ-CD2 3.45Å; F539-H548 WeakPolarHBondContact CZ-CD2 3.33Å; F539-H548 AromaticContact CZ-CG 3.25Å; F539-H548 AromaticContact CZ-ND1 3.73Å; F539-H548 AromaticContact CZ-NE2 4Å
540	S	84.6	Confident	84.9	Confident	34 Å²	34	69.5 Å²	69.5	24%	0.238	36%	0.358	C	S	.	.	S	Bend	trans	-80.9	-16.3	-179.6	56.6	0	0	0	0	113.8	R522	R522-S540 WeakPolarHBondContact CD-O 3.43Å; R522-S540 PolarHBondContact NH1-O 3.33Å
541	R	84.6	Confident	84.5	Confident	127 Å²	127	68.7 Å²	68.7	48%	0.479	37%	0.37	S	S	.	.	S	Bend	trans	-134.9	137.9	179.5	-61.5	176.4	69.2	174.3	-0.5	110.5	V519 S543 I544 L545	V519-R541 HydrophobicContact CG1-CG 3.72Å; R541-S543 VanDerWaalsContact C-N 3.29Å; R541-S543 PolarHBondContact O-N 3.42Å; R541-I544 HydrophobicContact CB-CD1 3.99Å; R541-I544 HydrophobicContact CB-CG1 4.05Å; R541-I544 HydrophobicContact CG-CD1 4.32Å; R541-I544 WeakPolarHBondContact O-CB 3.38Å; R541-I544 PolarHBondContact O-N 2.96Å; R541-I544 VanDerWaalsContact O-N 3.1Å; R541-L545 PolarHBondContact O-N 2.85Å
542	G	83.8	Confident	84.2	Confident	21 Å²	21	66.8 Å²	66.8	22%	0.216	36%	0.363	C	S	.	.	H	α-helix	trans	-61.7	-34.8	177.7	0	0	0	0	0	113.3	Y530 I544 L545 V546	Y530-G542 VanDerWaalsContact CD2-N 3.28Å; Y530-G542 VanDerWaalsContact CE2-N 3.29Å; G542-I544 PolarHBondContact O-N 3.34Å; G542-L545 WeakPolarHBondContact O-CB 3.41Å; G542-L545 PolarHBondContact O-N 3.28Å; G542-V546 WeakPolarHBondContact O-CG2 3.41Å; G542-V546 PolarHBondContact O-N 3.01Å
543	S	83.2	Confident	83.6	Confident	71 Å²	71	73.4 Å²	73.4	50%	0.497	40%	0.397	S	S	.	.	H	α-helix	trans	-59.9	-33.8	175.2	61.1	0	0	0	0	112.9	R541 M547	R541-S543 VanDerWaalsContact C-N 3.29Å; R541-S543 PolarHBondContact O-N 3.42Å; S543-M547 WeakPolarHBondContact O-CB 3.46Å; S543-M547 PolarHBondContact O-N 3.37Å
544	I	82.4	Confident	83.1	Confident	51 Å²	51	68.4 Å²	68.4	26%	0.262	38%	0.384	S	S	.	.	H	α-helix	trans	-74.9	-35.3	176.9	-57.6	174.3	0	0	0	110.1	F539 R541 G542 M547 H548	F539-I544 HydrophobicContact CB-CB 4.29Å; F539-I544 HydrophobicContact CB-CG2 4.26Å; F539-I544 HydrophobicContact CD1-CB 4.31Å; F539-I544 HydrophobicContact CD1-CG2 3.39Å; F539-I544 HydrophobicContact CE1-CG2 4Å; F539-I544 HydrophobicContact CG-CB 4.47Å; F539-I544 HydrophobicContact CG-CG2 4Å; R541-I544 HydrophobicContact CB-CD1 3.99Å; R541-I544 HydrophobicContact CB-CG1 4.05Å; R541-I544 HydrophobicContact CG-CD1 4.32Å; R541-I544 WeakPolarHBondContact O-CB 3.38Å; R541-I544 PolarHBondContact O-N 2.96Å; R541-I544 VanDerWaalsContact O-N 3.1Å; G542-I544 PolarHBondContact O-N 3.34Å; I544-M547 HydrophobicContact CG2-CE 3.86Å; I544-M547 WeakPolarHBondContact O-CB 3.36Å; I544-M547 PolarHBondContact O-N 3.34Å; I544-H548 VanDerWaalsContact O-CB 3.27Å; I544-H548 WeakPolarHBondContact O-CB 3.48Å; I544-H548 PolarHBondContact O-N 2.92Å
545	L	86.2	Confident	82.8	Confident	21 Å²	21	64.6 Å²	64.6	11%	0.11	37%	0.366	C	S	.	.	H	α-helix	trans	-63.8	-49.8	173.2	171.4	62.5	0	0	0	111.4	C532 F539 R541 G542 M547 H548 Q549	C532-L545 HydrophobicContact CB-CD1 3.56Å; F539-L545 HydrophobicContact CB-CB 4.49Å; F539-L545 HydrophobicContact CD2-CB 3.97Å; F539-L545 HydrophobicContact CD2-CD1 3.86Å; F539-L545 HydrophobicContact CE2-CD1 4.03Å; R541-L545 PolarHBondContact O-N 2.85Å; G542-L545 WeakPolarHBondContact O-CB 3.41Å; G542-L545 PolarHBondContact O-N 3.28Å; L545-M547 VanDerWaalsContact C-N 3.26Å; L545-M547 PolarHBondContact O-N 3.47Å; L545-H548 CarbonylContact O-C 3.47Å; L545-H548 WeakPolarHBondContact O-CA 3.38Å; L545-H548 WeakPolarHBondContact O-CB 3.36Å; L545-H548 PolarHBondContact O-N 3.27Å; L545-Q549 HydrophobicContact CD1-CG 4.12Å; L545-Q549 HydrophobicContact CG-CG 4.5Å; L545-Q549 WeakPolarHBondContact O-CG 3.49Å; L545-Q549 PolarHBondContact O-N 3.06Å
546	V	83.4	Confident	82.5	Confident	71 Å²	71	67.7 Å²	67.7	43%	0.43	37%	0.374	S	S	.	.	H	α-helix	trans	-58	-43.9	177.2	173.7	0	0	0	0	110.3	G542 H548 Q549 R550	G542-V546 WeakPolarHBondContact O-CG2 3.41Å; G542-V546 PolarHBondContact O-N 3.01Å; V546-H548 VanDerWaalsContact C-N 3.33Å; V546-H548 PolarHBondContact O-N 3.09Å; V546-Q549 WeakPolarHBondContact O-CB 3.49Å; V546-Q549 PolarHBondContact O-N 3.34Å; V546-R550 PolarHBondContact O-N 3.44Å; V546-R550 VanDerWaalsContact O-N 3.08Å
547	M	78.2	Confident	82.4	Confident	61 Å²	61	69 Å²	69	30%	0.3	38%	0.375	S	S	.	.	H	α-helix	trans	-60.4	-41.5	175	-176.8	-172.2	77.8	0	0	112.7	S543 I544 L545 R550 W569	S543-M547 WeakPolarHBondContact O-CB 3.46Å; S543-M547 PolarHBondContact O-N 3.37Å; I544-M547 HydrophobicContact CG2-CE 3.86Å; I544-M547 WeakPolarHBondContact O-CB 3.36Å; I544-M547 PolarHBondContact O-N 3.34Å; L545-M547 VanDerWaalsContact C-N 3.26Å; L545-M547 PolarHBondContact O-N 3.47Å; M547-R550 PolarHBondContact O-N 3.1Å; M547-W569 HydrophobicContact CE-CH2 4.25Å; M547-W569 HydrophobicContact CE-CZ2 3.69Å; M547-W569 HydrophobicContact CG-CZ2 3.77Å; M547-W569 HydrophobicContact SD-CD2 4.24Å; M547-W569 HydrophobicContact SD-CH2 4Å; M547-W569 HydrophobicContact SD-CZ2 3.25Å; M547-W569 WeakPolarHBondContact SD-CZ2 2.86Å
548	H	83.7	Confident	82.2	Confident	31 Å²	31	66.8 Å²	66.8	14%	0.144	36%	0.364	C	S	.	.	H	α-helix	trans	-67.5	-37.2	176	176.9	65.5	0	0	0	112.1	C535 F539 I544 L545 V546 R550 A551 H552	C535-H548 PolarHBondContact SG-NE2 2.9Å; F539-H548 HydrophobicContact CE1-CB 4.19Å; F539-H548 HydrophobicContact CE2-CB 3.78Å; F539-H548 AromaticContact CE2-CD2 3.44Å; F539-H548 VanDerWaalsContact CE2-CD2 3.44Å; F539-H548 WeakPolarHBondContact CE2-CD2 3.24Å; F539-H548 AromaticContact CE2-CG 3.62Å; F539-H548 HydrophobicContact CZ-CB 3.53Å; F539-H548 AromaticContact CZ-CD2 3.45Å; F539-H548 VanDerWaalsContact CZ-CD2 3.45Å; F539-H548 WeakPolarHBondContact CZ-CD2 3.33Å; F539-H548 AromaticContact CZ-CG 3.25Å; F539-H548 AromaticContact CZ-ND1 3.73Å; F539-H548 AromaticContact CZ-NE2 4Å; I544-H548 VanDerWaalsContact O-CB 3.27Å; I544-H548 WeakPolarHBondContact O-CB 3.48Å; I544-H548 PolarHBondContact O-N 2.92Å; L545-H548 CarbonylContact O-C 3.47Å; L545-H548 WeakPolarHBondContact O-CA 3.38Å; L545-H548 WeakPolarHBondContact O-CB 3.36Å; L545-H548 PolarHBondContact O-N 3.27Å; V546-H548 VanDerWaalsContact C-N 3.33Å; V546-H548 PolarHBondContact O-N 3.09Å; H548-R550 VanDerWaalsContact C-N 3.34Å; H548-R550 PolarHBondContact O-N 3.37Å; H548-A551 WeakPolarHBondContact O-CB 3.48Å; H548-A551 PolarHBondContact O-N 3.39Å; H548-A551 VanDerWaalsContact O-N 3.15Å; H548-H552 AromaticContact CD2-NE2 3.64Å; H548-H552 AromaticContact CE1-NE2 3.5Å; H548-H552 PolarHBondContact CE1-NE2 3.49Å; H548-H552 AromaticContact NE2-CD2 3.77Å; H548-H552 AromaticContact NE2-CE1 3.86Å; H548-H552 AromaticContact NE2-NE2 2.94Å; H548-H552 PolarHBondContact NE2-NE2 3.16Å
549	Q	81.9	Confident	82	Confident	71 Å²	71	73.7 Å²	73.7	33%	0.332	38%	0.383	S	S	.	.	H	α-helix	trans	-63.4	-37.9	175.9	-73.6	170.6	-45.1	0	0	112.2	L545 V546 A551 H552 L553	L545-Q549 HydrophobicContact CD1-CG 4.12Å; L545-Q549 HydrophobicContact CG-CG 4.5Å; L545-Q549 WeakPolarHBondContact O-CG 3.49Å; L545-Q549 PolarHBondContact O-N 3.06Å; V546-Q549 WeakPolarHBondContact O-CB 3.49Å; V546-Q549 PolarHBondContact O-N 3.34Å; Q549-A551 PolarHBondContact O-N 2.94Å; Q549-H552 WeakPolarHBondContact O-CB 3.43Å; Q549-H552 PolarHBondContact O-N 3.07Å; Q549-L553 PolarHBondContact O-N 2.81Å
550	R	83.1	Confident	82	Confident	80 Å²	80	72 Å²	72	30%	0.302	38%	0.376	S	S	.	.	H	α-helix	trans	-58.5	-31.9	173.4	-69.6	180	-177.1	176.5	-1.9	113	V546 M547 H548 H552 L553 G554 D555	V546-R550 PolarHBondContact O-N 3.44Å; V546-R550 VanDerWaalsContact O-N 3.08Å; M547-R550 PolarHBondContact O-N 3.1Å; H548-R550 VanDerWaalsContact C-N 3.34Å; H548-R550 PolarHBondContact O-N 3.37Å; R550-H552 VanDerWaalsContact C-N 3.33Å; R550-L553 PolarHBondContact O-N 3.12Å; R550-G554 PolarHBondContact O-N 3.46Å; R550-G554 VanDerWaalsContact O-N 3.1Å; R550-D555 HydrophobicContact CB-CB 4.37Å; R550-D555 HydrophobicContact CG-CB 4.49Å; R550-D555 PolarHBondContact O-N 2.77Å; R550-D555 VanDerWaalsContact O-N 3.07Å
551	A	80.3	Confident	82	Confident	72 Å²	72	75.4 Å²	75.4	60%	0.595	40%	0.398	S	S	*	.	H	α-helix	trans	-69.3	-30.2	176.3	0	0	0	0	0	113	H548 Q549	H548-A551 WeakPolarHBondContact O-CB 3.48Å; H548-A551 PolarHBondContact O-N 3.39Å; H548-A551 VanDerWaalsContact O-N 3.15Å; Q549-A551 PolarHBondContact O-N 2.94Å
552	H	79.3	Confident	82	Confident	88 Å²	88	75.2 Å²	75.2	41%	0.407	40%	0.402	S	S	.	.	H	α-helix	trans	-71.8	-37.9	173.3	-69.4	-62.6	0	0	0	112	C535 H548 Q549 R550 G554	C535-H552 PolarHBondContact SG-NE2 3.28Å; C535-H552 VanDerWaalsContact SG-NE2 3.45Å; H548-H552 AromaticContact CD2-NE2 3.64Å; H548-H552 AromaticContact CE1-NE2 3.5Å; H548-H552 PolarHBondContact CE1-NE2 3.49Å; H548-H552 AromaticContact NE2-CD2 3.77Å; H548-H552 AromaticContact NE2-CE1 3.86Å; H548-H552 AromaticContact NE2-NE2 2.94Å; H548-H552 PolarHBondContact NE2-NE2 3.16Å; Q549-H552 WeakPolarHBondContact O-CB 3.43Å; Q549-H552 PolarHBondContact O-N 3.07Å; R550-H552 VanDerWaalsContact C-N 3.33Å; H552-G554 VanDerWaalsContact C-N 3.26Å; H552-G554 PolarHBondContact O-N 3.38Å
553	L	79.9	Confident	82.1	Confident	140 Å²	140	76.8 Å²	76.8	73%	0.733	41%	0.409	S	S	*	.	H	α-helix	trans	-80	-7.6	-179.4	-64.8	168.8	0	0	0	113.2	Q549 R550 D555	Q549-L553 PolarHBondContact O-N 2.81Å; R550-L553 PolarHBondContact O-N 3.12Å; L553-D555 HydrophobicContact CB-CB 4.21Å; L553-D555 PolarHBondContact O-N 3.29Å; L553-D555 VanDerWaalsContact O-N 3.17Å
554	G	75.3	Confident	82.1	Confident	51 Å²	51	75.8 Å²	75.8	53%	0.526	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	14.4	-171.6	0	0	0	0	0	113.6	R550 H552 K556	R550-G554 PolarHBondContact O-N 3.46Å; R550-G554 VanDerWaalsContact O-N 3.1Å; H552-G554 VanDerWaalsContact C-N 3.26Å; H552-G554 PolarHBondContact O-N 3.38Å; G554-K556 PolarHBondContact O-N 3.48Å
555	D	76.7	Confident	82.1	Confident	69 Å²	69	79.4 Å²	79.4	37%	0.369	42%	0.424	S	S	.	.			trans	-70.2	120.3	-174.2	-178.8	20	0	0	0	110.5	R550 L553	R550-D555 HydrophobicContact CB-CB 4.37Å; R550-D555 HydrophobicContact CG-CB 4.49Å; R550-D555 PolarHBondContact O-N 2.77Å; R550-D555 VanDerWaalsContact O-N 3.07Å; L553-D555 HydrophobicContact CB-CB 4.21Å; L553-D555 PolarHBondContact O-N 3.29Å; L553-D555 VanDerWaalsContact O-N 3.17Å
556	K	81.3	Confident	81.9	Confident	118 Å²	118	79.3 Å²	79.3	51%	0.513	43%	0.428	S	S	.	.			trans	-127.8	75.9	-177.2	-74.1	169.4	170.3	-172	0	109.1	G554 Y558 G566 F567	G554-K556 PolarHBondContact O-N 3.48Å; K556-Y558 PolarHBondContact O-N 3.43Å; K556-G566 WeakPolarHBondContact CD-O 3.46Å; K556-F567 CarbonylContact C-O 3.28Å; K556-F567 WeakPolarHBondContact CA-O 3.28Å
557	P	80.4	Confident	81.8	Confident	62 Å²	62	77.6 Å²	77.6	40%	0.403	42%	0.415	S	S	.	.			trans	-65.2	-28.2	-173.9	-18.3	30.4	0	0	0	112.5	R559	P557-R559 PolarHBondContact O-N 3.09Å
558	Y	82.4	Confident	81.7	Confident	83 Å²	83	76.5 Å²	76.5	33%	0.325	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	101.5	-171.9	-55.6	-76	0	0	0	110	K556 F567 W569 N570	K556-Y558 PolarHBondContact O-N 3.43Å; Y558-F567 PolarHBondContact N-O 3.07Å; Y558-F567 PolarHBondContact O-N 3.08Å; Y558-W569 VanDerWaalsContact CD2-C 3.4Å; Y558-N570 HydrophobicContact CD1-CB 3.81Å; Y558-N570 HydrophobicContact CD2-CB 4.48Å; Y558-N570 VanDerWaalsContact CD2-N 3.32Å; Y558-N570 HydrophobicContact CE1-CB 3.76Å; Y558-N570 HydrophobicContact CE2-CB 4.41Å; Y558-N570 HydrophobicContact CG-CB 4.18Å
559	R	84.4	Confident	81.3	Confident	188 Å²	188	80 Å²	80	71%	0.709	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	137.2	177.5	-63.8	-166.4	-179.5	-174.2	2.1	111.4	P557 P561	P557-R559 PolarHBondContact O-N 3.09Å; R559-P561 WeakPolarHBondContact O-CD 3.41Å
560	C	88.1	Confident	81.2	Confident	2 Å²	2	80.4 Å²	80.4	1%	0.014	43%	0.43	C	S	.	.			trans	-71.2	122.6	170.8	179.4	0	0	0	0	109.6	E562 C563 G564 K565 F567 L573 H580	C560-E562 VanDerWaalsContact C-N 3.26Å; C560-E562 PolarHBondContact O-N 3.33Å; C560-C563 VanDerWaalsContact SG-SG 3.6Å; C560-G564 WeakPolarHBondContact O-CA 3.49Å; C560-G564 PolarHBondContact O-N 3.11Å; C560-K565 PolarHBondContact N-O 3.27Å; C560-F567 HydrophobicContact CB-CE2 4.17Å; C560-L573 VanDerWaalsContact CA-CD1 3.47Å; C560-L573 HydrophobicContact CB-CD1 3.6Å; C560-H580 PolarHBondContact SG-NE2 2.69Å
561	P	83.9	Confident	81.1	Confident	106 Å²	106	80 Å²	80	69%	0.688	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-30.1	179.9	23.9	-31.3	0	0	0	112.4	R559	R559-P561 WeakPolarHBondContact O-CD 3.41Å
562	E	84.2	Confident	81.2	Confident	123 Å²	123	79 Å²	79	58%	0.575	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-33.8	-175	-64.7	-179.7	-142.3	0	0	114.1	C560 H580	C560-E562 VanDerWaalsContact C-N 3.26Å; C560-E562 PolarHBondContact O-N 3.33Å; E562-H580 WeakPolarHBondContact OE2-CB 3.34Å; E562-H580 IonicContact OE2-CD2 3.95Å; E562-H580 IonicContact OE2-CG 2.7Å; E562-H580 VanDerWaalsContact OE2-CG 3.3Å
563	C	86.8	Confident	81.5	Confident	53 Å²	53	75.5 Å²	75.5	36%	0.358	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.9	4.5	-176.2	75.5	0	0	0	0	114.6	C560 K565 H576 H580	C560-C563 VanDerWaalsContact SG-SG 3.6Å; C563-K565 PolarHBondContact O-N 3.31Å; C563-H576 PolarHBondContact SG-NE2 3.13Å; C563-H580 PolarHBondContact SG-NE2 2.83Å
564	G	81.6	Confident	81.6	Confident	50 Å²	50	72 Å²	72	52%	0.515	39%	0.392	S	S	.	.			trans	68.8	-3.8	177.4	0	0	0	0	0	115.8	C560 G566	C560-G564 WeakPolarHBondContact O-CA 3.49Å; C560-G564 PolarHBondContact O-N 3.11Å; G564-G566 PolarHBondContact O-N 2.81Å
565	K	83.9	Confident	82	Confident	127 Å²	127	72.1 Å²	72.1	55%	0.552	38%	0.379	S	S	*	.			trans	-62.5	124.3	-179	-73.1	-180	-177.9	174.9	0	110.7	C560 C563 F567	C560-K565 PolarHBondContact N-O 3.27Å; C563-K565 PolarHBondContact O-N 3.31Å; K565-F567 HydrophobicContact CB-CE2 3.75Å; K565-F567 HydrophobicContact CB-CZ 3.85Å; K565-F567 VanDerWaalsContact O-CD2 3.28Å; K565-F567 WeakPolarHBondContact O-CD2 3.4Å; K565-F567 WeakPolarHBondContact O-CE2 3.42Å
566	G	82.1	Confident	82.4	Confident	20 Å²	20	69.7 Å²	69.7	21%	0.206	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	135.9	175.3	0	0	0	0	0	112.2	K556 G564	K556-G566 WeakPolarHBondContact CD-O 3.46Å; G564-G566 PolarHBondContact O-N 2.81Å
567	F	80.4	Confident	82.5	Confident	35 Å²	35	66.5 Å²	66.5	15%	0.154	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	145	177.3	-60	-84.2	0	0	0	109.9	K556 Y558 C560 K565 W569 V572 L573 H576	K556-F567 CarbonylContact C-O 3.28Å; K556-F567 WeakPolarHBondContact CA-O 3.28Å; Y558-F567 PolarHBondContact N-O 3.07Å; Y558-F567 PolarHBondContact O-N 3.08Å; C560-F567 HydrophobicContact CB-CE2 4.17Å; K565-F567 HydrophobicContact CB-CE2 3.75Å; K565-F567 HydrophobicContact CB-CZ 3.85Å; K565-F567 VanDerWaalsContact O-CD2 3.28Å; K565-F567 WeakPolarHBondContact O-CD2 3.4Å; K565-F567 WeakPolarHBondContact O-CE2 3.42Å; F567-W569 PolarHBondContact O-N 3.19Å; F567-V572 HydrophobicContact CD1-CB 4.28Å; F567-V572 HydrophobicContact CD1-CG1 3.52Å; F567-V572 HydrophobicContact CE1-CG1 4.04Å; F567-V572 HydrophobicContact CG-CG1 4.32Å; F567-L573 HydrophobicContact CB-CB 4.34Å; F567-L573 HydrophobicContact CD2-CB 4Å; F567-L573 HydrophobicContact CD2-CD1 3.82Å; F567-L573 HydrophobicContact CE2-CD1 4.03Å; F567-L573 HydrophobicContact CG-CB 4.35Å; F567-H576 HydrophobicContact CE1-CB 4.06Å; F567-H576 HydrophobicContact CE2-CB 3.99Å; F567-H576 AromaticContact CE2-CD2 3.36Å; F567-H576 WeakPolarHBondContact CE2-CD2 3.28Å; F567-H576 AromaticContact CE2-CG 3.62Å; F567-H576 AromaticContact CE2-NE2 3.99Å; F567-H576 HydrophobicContact CZ-CB 3.58Å; F567-H576 AromaticContact CZ-CD2 3.42Å; F567-H576 VanDerWaalsContact CZ-CD2 3.42Å; F567-H576 WeakPolarHBondContact CZ-CD2 3.32Å; F567-H576 AromaticContact CZ-CG 3.2Å; F567-H576 AromaticContact CZ-ND1 3.62Å; F567-H576 AromaticContact CZ-NE2 3.9Å
568	S	76.5	Confident	82.8	Confident	38 Å²	38	66 Å²	66	27%	0.266	34%	0.343	S	S	.	.	S	Bend	trans	-70.6	-22.8	175.3	53.3	0	0	0	0	112.2
569	W	75.1	Confident	82.8	Confident	105 Å²	105	67.4 Å²	67.4	40%	0.398	36%	0.355	S	S	.	.			trans	-132.1	141.6	-173.9	-46.7	-26.6	0	0	0	112.3	M547 Y558 F567 S571 V572 L573	M547-W569 HydrophobicContact CE-CH2 4.25Å; M547-W569 HydrophobicContact CE-CZ2 3.69Å; M547-W569 HydrophobicContact CG-CZ2 3.77Å; M547-W569 HydrophobicContact SD-CD2 4.24Å; M547-W569 HydrophobicContact SD-CH2 4Å; M547-W569 HydrophobicContact SD-CZ2 3.25Å; M547-W569 WeakPolarHBondContact SD-CZ2 2.86Å; Y558-W569 VanDerWaalsContact CD2-C 3.4Å; F567-W569 PolarHBondContact O-N 3.19Å; W569-S571 PolarHBondContact O-N 3.26Å; W569-V572 HydrophobicContact CB-CB 4.44Å; W569-V572 HydrophobicContact CB-CG2 4.04Å; W569-V572 HydrophobicContact CD2-CG2 4.08Å; W569-V572 HydrophobicContact CE3-CG2 3.46Å; W569-V572 VanDerWaalsContact CE3-CG2 3.46Å; W569-V572 HydrophobicContact CG-CG2 4.39Å; W569-V572 HydrophobicContact CZ3-CG2 4.24Å; W569-V572 PolarHBondContact O-N 3.09Å; W569-L573 PolarHBondContact O-N 3.4Å; W569-L573 VanDerWaalsContact O-N 3.14Å
570	N	80.2	Confident	82.8	Confident	79 Å²	79	61.9 Å²	61.9	42%	0.422	34%	0.337	S	S	.	.	H	α-helix	trans	-62.4	-41.1	173.7	-169	12.5	0	0	0	112.1	Y558 V572 L573 I574	Y558-N570 HydrophobicContact CD1-CB 3.81Å; Y558-N570 HydrophobicContact CD2-CB 4.48Å; Y558-N570 VanDerWaalsContact CD2-N 3.32Å; Y558-N570 HydrophobicContact CE1-CB 3.76Å; Y558-N570 HydrophobicContact CE2-CB 4.41Å; Y558-N570 HydrophobicContact CG-CB 4.18Å; N570-V572 PolarHBondContact O-N 3.31Å; N570-L573 CarbonylContact O-C 3.55Å; N570-L573 WeakPolarHBondContact O-CA 3.45Å; N570-L573 WeakPolarHBondContact O-CB 3.42Å; N570-L573 PolarHBondContact O-N 3.1Å; N570-I574 WeakPolarHBondContact O-CG1 3.42Å; N570-I574 PolarHBondContact O-N 2.93Å
571	S	81.4	Confident	82.5	Confident	71 Å²	71	65.6 Å²	65.6	50%	0.497	36%	0.359	S	S	.	.	H	α-helix	trans	-59.5	-34.9	178.9	56.2	0	0	0	0	113.3	W569 I575	W569-S571 PolarHBondContact O-N 3.26Å; S571-I575 WeakPolarHBondContact O-CD1 3.27Å; S571-I575 VanDerWaalsContact O-CG1 3.24Å; S571-I575 WeakPolarHBondContact O-CG1 3.39Å; S571-I575 PolarHBondContact O-N 3.41Å
572	V	81.6	Confident	82.3	Confident	52 Å²	52	62.9 Å²	62.9	32%	0.315	35%	0.351	S	S	.	.	H	α-helix	trans	-74.4	-37.5	175.9	-176.8	0	0	0	0	110.4	F567 W569 N570 I575 H576	F567-V572 HydrophobicContact CD1-CB 4.28Å; F567-V572 HydrophobicContact CD1-CG1 3.52Å; F567-V572 HydrophobicContact CE1-CG1 4.04Å; F567-V572 HydrophobicContact CG-CG1 4.32Å; W569-V572 HydrophobicContact CB-CB 4.44Å; W569-V572 HydrophobicContact CB-CG2 4.04Å; W569-V572 HydrophobicContact CD2-CG2 4.08Å; W569-V572 HydrophobicContact CE3-CG2 3.46Å; W569-V572 VanDerWaalsContact CE3-CG2 3.46Å; W569-V572 HydrophobicContact CG-CG2 4.39Å; W569-V572 HydrophobicContact CZ3-CG2 4.24Å; W569-V572 PolarHBondContact O-N 3.09Å; N570-V572 PolarHBondContact O-N 3.31Å; V572-I575 PolarHBondContact O-N 2.82Å; V572-H576 WeakPolarHBondContact O-CB 3.37Å; V572-H576 PolarHBondContact O-N 3.28Å
573	L	84.8	Confident	82.2	Confident	13 Å²	13	62.3 Å²	62.3	7%	0.068	35%	0.348	C	S	.	.	H	α-helix	trans	-59.8	-47.3	170.9	171.7	61.1	0	0	0	111.4	C560 F567 W569 N570 I575 H576 Q577	C560-L573 VanDerWaalsContact CA-CD1 3.47Å; C560-L573 HydrophobicContact CB-CD1 3.6Å; F567-L573 HydrophobicContact CB-CB 4.34Å; F567-L573 HydrophobicContact CD2-CB 4Å; F567-L573 HydrophobicContact CD2-CD1 3.82Å; F567-L573 HydrophobicContact CE2-CD1 4.03Å; F567-L573 HydrophobicContact CG-CB 4.35Å; W569-L573 PolarHBondContact O-N 3.4Å; W569-L573 VanDerWaalsContact O-N 3.14Å; N570-L573 CarbonylContact O-C 3.55Å; N570-L573 WeakPolarHBondContact O-CA 3.45Å; N570-L573 WeakPolarHBondContact O-CB 3.42Å; N570-L573 PolarHBondContact O-N 3.1Å; L573-I575 PolarHBondContact O-N 3.28Å; L573-H576 CarbonylContact O-C 3.58Å; L573-H576 WeakPolarHBondContact O-CA 3.38Å; L573-H576 WeakPolarHBondContact O-CB 3.26Å; L573-H576 PolarHBondContact O-N 3.42Å; L573-H576 VanDerWaalsContact O-N 3.12Å; L573-Q577 HydrophobicContact CD1-CG 4.07Å; L573-Q577 HydrophobicContact CG-CG 4.48Å; L573-Q577 WeakPolarHBondContact O-CG 3.19Å; L573-Q577 PolarHBondContact O-N 3.15Å
574	I	83.1	Confident	82.1	Confident	68 Å²	68	65.5 Å²	65.5	35%	0.349	36%	0.356	S	S	.	.	H	α-helix	trans	-60.1	-44.9	177.1	-62.5	-56.6	0	0	0	111.1	N570 H576 Q577 R578	N570-I574 WeakPolarHBondContact O-CG1 3.42Å; N570-I574 PolarHBondContact O-N 2.93Å; I574-H576 VanDerWaalsContact C-N 3.29Å; I574-H576 PolarHBondContact O-N 3.47Å; I574-Q577 PolarHBondContact O-N 3.17Å; I574-R578 PolarHBondContact O-N 3.24Å
575	I	83.1	Confident	82.2	Confident	53 Å²	53	66.5 Å²	66.5	27%	0.272	35%	0.353	S	S	.	.	H	α-helix	trans	-64.3	-37.7	176.1	-66.7	163.8	0	0	0	110.8	S571 V572 L573 R578 N597	S571-I575 WeakPolarHBondContact O-CD1 3.27Å; S571-I575 VanDerWaalsContact O-CG1 3.24Å; S571-I575 WeakPolarHBondContact O-CG1 3.39Å; S571-I575 PolarHBondContact O-N 3.41Å; V572-I575 PolarHBondContact O-N 2.82Å; L573-I575 PolarHBondContact O-N 3.28Å; I575-R578 WeakPolarHBondContact O-CB 3.35Å; I575-R578 PolarHBondContact O-N 3.32Å; I575-N597 HydrophobicContact CG2-CB 4.15Å
576	H	84.4	Confident	82.2	Confident	18 Å²	18	64.3 Å²	64.3	8%	0.083	34%	0.342	C	S	.	.	H	α-helix	trans	-67	-40.2	176.6	170.2	70.2	0	0	0	112.2	C563 F567 V572 L573 I574 R578 I579 H580	C563-H576 PolarHBondContact SG-NE2 3.13Å; F567-H576 HydrophobicContact CE1-CB 4.06Å; F567-H576 HydrophobicContact CE2-CB 3.99Å; F567-H576 AromaticContact CE2-CD2 3.36Å; F567-H576 WeakPolarHBondContact CE2-CD2 3.28Å; F567-H576 AromaticContact CE2-CG 3.62Å; F567-H576 AromaticContact CE2-NE2 3.99Å; F567-H576 HydrophobicContact CZ-CB 3.58Å; F567-H576 AromaticContact CZ-CD2 3.42Å; F567-H576 VanDerWaalsContact CZ-CD2 3.42Å; F567-H576 WeakPolarHBondContact CZ-CD2 3.32Å; F567-H576 AromaticContact CZ-CG 3.2Å; F567-H576 AromaticContact CZ-ND1 3.62Å; F567-H576 AromaticContact CZ-NE2 3.9Å; V572-H576 WeakPolarHBondContact O-CB 3.37Å; V572-H576 PolarHBondContact O-N 3.28Å; L573-H576 CarbonylContact O-C 3.58Å; L573-H576 WeakPolarHBondContact O-CA 3.38Å; L573-H576 WeakPolarHBondContact O-CB 3.26Å; L573-H576 PolarHBondContact O-N 3.42Å; L573-H576 VanDerWaalsContact O-N 3.12Å; I574-H576 VanDerWaalsContact C-N 3.29Å; I574-H576 PolarHBondContact O-N 3.47Å; H576-R578 PolarHBondContact O-N 2.98Å; H576-I579 WeakPolarHBondContact O-CB 3.38Å; H576-I579 WeakPolarHBondContact O-CG1 3.34Å; H576-I579 PolarHBondContact O-N 3.08Å; H576-H580 AromaticContact CD2-NE2 3.86Å; H576-H580 AromaticContact CE1-NE2 3.59Å; H576-H580 AromaticContact NE2-CD2 3.99Å; H576-H580 AromaticContact NE2-CE1 3.88Å; H576-H580 AromaticContact NE2-NE2 3.07Å; H576-H580 PolarHBondContact NE2-NE2 3.31Å
577	Q	84.7	Confident	82.3	Confident	51 Å²	51	70.7 Å²	70.7	24%	0.238	36%	0.364	C	S	.	.	H	α-helix	trans	-59.1	-31	175.9	-77.1	171.9	-33	0	0	112.2	L573 I574 I579 H580 T581	L573-Q577 HydrophobicContact CD1-CG 4.07Å; L573-Q577 HydrophobicContact CG-CG 4.48Å; L573-Q577 WeakPolarHBondContact O-CG 3.19Å; L573-Q577 PolarHBondContact O-N 3.15Å; I574-Q577 PolarHBondContact O-N 3.17Å; Q577-I579 PolarHBondContact O-N 3.43Å; Q577-I579 VanDerWaalsContact O-N 3.12Å; Q577-H580 PolarHBondContact O-N 2.84Å; Q577-T581 PolarHBondContact O-N 3.41Å; Q577-T581 VanDerWaalsContact O-N 3.08Å
578	R	86.6	Confident	82.6	Confident	51 Å²	51	69.1 Å²	69.1	19%	0.192	36%	0.358	C	S	.	.	H	α-helix	trans	-62.1	-17.5	173	-63.1	174.8	-175.5	170.9	0.2	114.3	I574 I575 H576 T581 G582 E583 S596	I574-R578 PolarHBondContact O-N 3.24Å; I575-R578 WeakPolarHBondContact O-CB 3.35Å; I575-R578 PolarHBondContact O-N 3.32Å; H576-R578 PolarHBondContact O-N 2.98Å; R578-T581 WeakPolarHBondContact CA-OG1 3.41Å; R578-G582 CarbonylContact O-C 3.54Å; R578-G582 WeakPolarHBondContact O-CA 3.39Å; R578-G582 PolarHBondContact O-N 2.89Å; R578-E583 HydrophobicContact CB-CB 4.36Å; R578-E583 HydrophobicContact CG-CB 4.25Å; R578-E583 PolarHBondContact O-N 3.3Å; R578-S596 WeakPolarHBondContact CD-O 3.4Å; R578-S596 PolarHBondContact NH1-O 3.01Å
579	I	82.3	Confident	82.9	Confident	113 Å²	113	72.8 Å²	72.8	58%	0.579	38%	0.381	S	S	*	.	H	α-helix	trans	-72.2	-38.6	173.9	-57.8	174.8	0	0	0	109.9	H576 Q577	H576-I579 WeakPolarHBondContact O-CB 3.38Å; H576-I579 WeakPolarHBondContact O-CG1 3.34Å; H576-I579 PolarHBondContact O-N 3.08Å; Q577-I579 PolarHBondContact O-N 3.43Å; Q577-I579 VanDerWaalsContact O-N 3.12Å
580	H	83.2	Confident	83.2	Confident	72 Å²	72	72.5 Å²	72.5	33%	0.333	38%	0.383	S	S	.	.	H	α-helix	trans	-77.5	-40.9	179.1	-53.7	-56.1	0	0	0	111.9	C560 E562 C563 H576 Q577 G582	C560-H580 PolarHBondContact SG-NE2 2.69Å; E562-H580 WeakPolarHBondContact OE2-CB 3.34Å; E562-H580 IonicContact OE2-CD2 3.95Å; E562-H580 IonicContact OE2-CG 2.7Å; E562-H580 VanDerWaalsContact OE2-CG 3.3Å; C563-H580 PolarHBondContact SG-NE2 2.83Å; H576-H580 AromaticContact CD2-NE2 3.86Å; H576-H580 AromaticContact CE1-NE2 3.59Å; H576-H580 AromaticContact NE2-CD2 3.99Å; H576-H580 AromaticContact NE2-CE1 3.88Å; H576-H580 AromaticContact NE2-NE2 3.07Å; H576-H580 PolarHBondContact NE2-NE2 3.31Å; Q577-H580 PolarHBondContact O-N 2.84Å; H580-G582 VanDerWaalsContact C-N 3.26Å; H580-G582 PolarHBondContact O-N 3.22Å
581	T	82.8	Confident	83.5	Confident	79 Å²	79	71.3 Å²	71.3	49%	0.485	38%	0.381	S	S	.	.	H	α-helix	trans	-77.2	-12.3	177.4	65.9	0	0	0	0	113.4	Q577 R578 E583	Q577-T581 PolarHBondContact O-N 3.41Å; Q577-T581 VanDerWaalsContact O-N 3.08Å; R578-T581 WeakPolarHBondContact CA-OG1 3.41Å; T581-E583 PolarHBondContact O-N 2.89Å; T581-E583 WeakPolarHBondContact OG1-CG 3.34Å
582	G	79.8	Confident	83.5	Confident	49 Å²	49	70.6 Å²	70.6	51%	0.505	39%	0.385	S	S	.	.			trans	68.4	6.8	-175.7	0	0	0	0	0	114.5	R578 H580 K584	R578-G582 CarbonylContact O-C 3.54Å; R578-G582 WeakPolarHBondContact O-CA 3.39Å; R578-G582 PolarHBondContact O-N 2.89Å; H580-G582 VanDerWaalsContact C-N 3.26Å; H580-G582 PolarHBondContact O-N 3.22Å; G582-K584 PolarHBondContact O-N 2.61Å
583	E	81.8	Confident	83.7	Confident	112 Å²	112	74.2 Å²	74.2	52%	0.523	40%	0.396	S	S	.	.			trans	-63	125	-177.7	-76.9	-176.3	177.4	0	0	111.8	R578 T581 P585	R578-E583 HydrophobicContact CB-CB 4.36Å; R578-E583 HydrophobicContact CG-CB 4.25Å; R578-E583 PolarHBondContact O-N 3.3Å; T581-E583 PolarHBondContact O-N 2.89Å; T581-E583 WeakPolarHBondContact OG1-CG 3.34Å; E583-P585 WeakPolarHBondContact O-CD 3.35Å
584	K	84.5	Confident	83.6	Confident	120 Å²	120	74.6 Å²	74.6	52%	0.522	40%	0.404	S	S	.	.			trans	-122.3	79	176.7	-72.7	170.4	175.1	-175.5	0	110	G582 Y586 G594 F595	G582-K584 PolarHBondContact O-N 2.61Å; K584-Y586 PolarHBondContact O-N 2.92Å; K584-G594 WeakPolarHBondContact CD-O 2.93Å; K584-F595 CarbonylContact C-O 3.59Å; K584-F595 WeakPolarHBondContact CA-O 3.48Å
585	P	84.1	Confident	83.5	Confident	70 Å²	70	73.4 Å²	73.4	46%	0.455	40%	0.396	S	S	.	.			trans	-65.3	-25.5	-174.5	-21.5	33.8	0	0	0	113.5	E583	E583-P585 WeakPolarHBondContact O-CD 3.35Å
586	Y	82.8	Confident	83.4	Confident	82 Å²	82	72.5 Å²	72.5	32%	0.322	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	102.1	-175.9	-53.9	-77.9	0	0	0	110	K584 G594 F595 F601	K584-Y586 PolarHBondContact O-N 2.92Å; Y586-G594 CarbonylContact O-C 3.43Å; Y586-G594 WeakPolarHBondContact O-CA 3.48Å; Y586-F595 PolarHBondContact N-O 3.26Å; Y586-F595 PolarHBondContact O-N 3.03Å; Y586-F601 HydrophobicContact CD1-CD1 4.45Å; Y586-F601 HydrophobicContact CG-CB 4.34Å
587	K	84.6	Confident	83.3	Confident	153 Å²	153	73.3 Å²	73.3	67%	0.665	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102	131.6	177.8	-64.8	-177.7	-178.5	178.7	0	110.4	P589	K587-P589 WeakPolarHBondContact O-CD 3.42Å
588	C	87.4	Confident	83.2	Confident	3 Å²	3	72.9 Å²	72.9	2%	0.02	40%	0.402	C	S	.	.			trans	-69.6	120.7	171.8	-177.5	0	0	0	0	110.3	E590 G592 K593 F601	C588-E590 VanDerWaalsContact C-N 3.26Å; C588-E590 PolarHBondContact O-N 2.65Å; C588-G592 WeakPolarHBondContact O-CA 3.34Å; C588-G592 PolarHBondContact O-N 3.29Å; C588-K593 WeakPolarHBondContact CB-O 3.29Å; C588-K593 PolarHBondContact N-O 3.48Å; C588-F601 HydrophobicContact CB-CE2 4.22Å
589	P	81.8	Confident	83	Confident	115 Å²	115	73.6 Å²	73.6	75%	0.747	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-25.7	178	26.1	-31.4	0	0	0	112.3	K587	K587-P589 WeakPolarHBondContact O-CD 3.42Å
590	E	82.1	Confident	83	Confident	98 Å²	98	72.3 Å²	72.3	46%	0.458	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-34.1	-176.9	-65.4	-179	145	0	0	113.3	C588 H608 K612	C588-E590 VanDerWaalsContact C-N 3.26Å; C588-E590 PolarHBondContact O-N 2.65Å; E590-H608 WeakPolarHBondContact OE2-CB 3.4Å; E590-H608 IonicContact OE2-CD2 3.07Å; E590-H608 IonicContact OE2-CG 3.11Å; E590-H608 IonicContact OE2-ND1 3.57Å; E590-K612 IonicContact OE1-NZ 3.18Å; E590-K612 PolarHBondContact OE1-NZ 3.14Å
591	C	87.3	Confident	83	Confident	54 Å²	54	70.4 Å²	70.4	37%	0.365	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.2	5.5	-177.7	74.4	0	0	0	0	115	K593 H604 H608	C591-K593 PolarHBondContact O-N 3.46Å; C591-H604 VanDerWaalsContact SG-CE1 3.55Å; C591-H604 PolarHBondContact SG-NE2 3.22Å; C591-H608 PolarHBondContact SG-NE2 3.25Å
592	G	81.1	Confident	83	Confident	57 Å²	57	70.2 Å²	70.2	59%	0.588	40%	0.395	S	S	*	.			trans	70.3	-6.1	177.9	0	0	0	0	0	115.8	C588 G594	C588-G592 WeakPolarHBondContact O-CA 3.34Å; C588-G592 PolarHBondContact O-N 3.29Å; G592-G594 PolarHBondContact O-N 3.34Å
593	K	85	Confident	83.2	Confident	127 Å²	127	71.6 Å²	71.6	55%	0.552	39%	0.394	S	S	*	.			trans	-62.4	125.2	-178.7	-72.4	-179.3	-178.3	174.9	0	111.2	C588 C591 F595	C588-K593 WeakPolarHBondContact CB-O 3.29Å; C588-K593 PolarHBondContact N-O 3.48Å; C591-K593 PolarHBondContact O-N 3.46Å; K593-F595 HydrophobicContact CB-CE2 3.78Å; K593-F595 HydrophobicContact CB-CZ 3.98Å; K593-F595 WeakPolarHBondContact O-CD2 3.43Å; K593-F595 VanDerWaalsContact O-CE2 3.29Å; K593-F595 WeakPolarHBondContact O-CE2 3.3Å
594	G	82.8	Confident	83.4	Confident	22 Å²	22	67.4 Å²	67.4	23%	0.227	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	139.3	177	0	0	0	0	0	112.8	K584 Y586 G592	K584-G594 WeakPolarHBondContact CD-O 2.93Å; Y586-G594 CarbonylContact O-C 3.43Å; Y586-G594 WeakPolarHBondContact O-CA 3.48Å; G592-G594 PolarHBondContact O-N 3.34Å
595	F	82.1	Confident	83.2	Confident	42 Å²	42	65.5 Å²	65.5	18%	0.184	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	143.4	-179.9	-58.4	-92.5	0	0	0	110.6	K584 Y586 K593 N600 F601 H604	K584-F595 CarbonylContact C-O 3.59Å; K584-F595 WeakPolarHBondContact CA-O 3.48Å; Y586-F595 PolarHBondContact N-O 3.26Å; Y586-F595 PolarHBondContact O-N 3.03Å; K593-F595 HydrophobicContact CB-CE2 3.78Å; K593-F595 HydrophobicContact CB-CZ 3.98Å; K593-F595 WeakPolarHBondContact O-CD2 3.43Å; K593-F595 VanDerWaalsContact O-CE2 3.29Å; K593-F595 WeakPolarHBondContact O-CE2 3.3Å; F595-N600 HydrophobicContact CD1-CB 4.08Å; F595-F601 HydrophobicContact CB-CB 4.07Å; F595-F601 HydrophobicContact CD2-CB 4.12Å; F595-F601 AromaticContact CD2-CD2 3.9Å; F595-F601 HydrophobicContact CD2-CD2 3.9Å; F595-F601 HydrophobicContact CE2-CD2 4.34Å; F595-F601 HydrophobicContact CG-CB 4.18Å; F595-H604 HydrophobicContact CE1-CB 3.94Å; F595-H604 HydrophobicContact CE2-CB 3.97Å; F595-H604 AromaticContact CE2-CD2 3.29Å; F595-H604 WeakPolarHBondContact CE2-CD2 3.43Å; F595-H604 AromaticContact CE2-CG 3.66Å; F595-H604 AromaticContact CE2-NE2 3.98Å; F595-H604 HydrophobicContact CZ-CB 3.45Å; F595-H604 VanDerWaalsContact CZ-CB 3.45Å; F595-H604 AromaticContact CZ-CD2 3.36Å; F595-H604 WeakPolarHBondContact CZ-CD2 3.48Å; F595-H604 AromaticContact CZ-CG 3.23Å; F595-H604 AromaticContact CZ-ND1 3.83Å; F595-H604 AromaticContact CZ-NE2 3.98Å
596	S	80.1	Confident	83.2	Confident	35 Å²	35	69.4 Å²	69.4	25%	0.245	37%	0.373	C	S	.	.	S	Bend	trans	-81.4	-19.5	177.4	52.5	0	0	0	0	113.4	R578	R578-S596 WeakPolarHBondContact CD-O 3.4Å; R578-S596 PolarHBondContact NH1-O 3.01Å
597	N	82.3	Confident	83.3	Confident	35 Å²	35	68.4 Å²	68.4	19%	0.187	38%	0.375	C	S	.	.	S	Bend	trans	-127.2	138.6	-178.5	-177.4	11.1	0	0	0	111.6	I575 S599 N600 F601	I575-N597 HydrophobicContact CG2-CB 4.15Å; N597-S599 VanDerWaalsContact C-N 3.34Å; N597-S599 PolarHBondContact O-N 3.25Å; N597-S599 PolarHBondContact OD1-N 3.26Å; N597-N600 PolarHBondContact O-N 3.44Å; N597-F601 PolarHBondContact O-N 3.37Å; N597-F601 VanDerWaalsContact O-N 3.16Å
598	S	82.6	Confident	83.1	Confident	42 Å²	42	62.5 Å²	62.5	29%	0.294	35%	0.35	S	S	.	.	H	α-helix	trans	-64.7	-33.8	178.7	64.4	0	0	0	0	112.9	F601 I602	S598-F601 WeakPolarHBondContact O-CB 3.19Å; S598-F601 PolarHBondContact O-N 3Å; S598-I602 VanDerWaalsContact O-CG1 3.26Å; S598-I602 WeakPolarHBondContact O-CG1 3.3Å; S598-I602 PolarHBondContact O-N 3.11Å
599	S	82.1	Confident	82.3	Confident	66 Å²	66	68 Å²	68	46%	0.462	38%	0.377	S	S	.	.	H	α-helix	trans	-63.5	-44.7	178.2	-53.7	0	0	0	0	111.6	N597 F601 I602 T603	N597-S599 VanDerWaalsContact C-N 3.34Å; N597-S599 PolarHBondContact O-N 3.25Å; N597-S599 PolarHBondContact OD1-N 3.26Å; S599-F601 VanDerWaalsContact C-N 3.31Å; S599-F601 PolarHBondContact O-N 3.39Å; S599-I602 PolarHBondContact O-N 2.95Å; S599-T603 WeakPolarHBondContact O-CG2 3.34Å; S599-T603 PolarHBondContact O-N 2.91Å; S599-T603 PolarHBondContact O-OG1 3.22Å
600	N	82.4	Confident	81.4	Confident	85 Å²	85	69.8 Å²	69.8	46%	0.455	37%	0.373	S	S	.	.	H	α-helix	trans	-66.2	-37.2	177.6	-67.3	-1.2	0	0	0	111.3	F595 N597 T603 H604	F595-N600 HydrophobicContact CD1-CB 4.08Å; N597-N600 PolarHBondContact O-N 3.44Å; N600-T603 VanDerWaalsContact CA-OG1 3.29Å; N600-T603 WeakPolarHBondContact CA-OG1 3.47Å; N600-T603 PolarHBondContact O-OG1 2.78Å; N600-H604 WeakPolarHBondContact O-CB 3.3Å; N600-H604 PolarHBondContact O-N 2.78Å
601	F	84.3	Confident	80.3	Confident	32 Å²	32	71.8 Å²	71.8	14%	0.14	38%	0.382	C	S	.	.	H	α-helix	trans	-62.1	-47.8	172.7	170.6	-112.6	0	0	0	112	Y586 C588 F595 N597 S598 S599 T603 H604 Q605	Y586-F601 HydrophobicContact CD1-CD1 4.45Å; Y586-F601 HydrophobicContact CG-CB 4.34Å; C588-F601 HydrophobicContact CB-CE2 4.22Å; F595-F601 HydrophobicContact CB-CB 4.07Å; F595-F601 HydrophobicContact CD2-CB 4.12Å; F595-F601 AromaticContact CD2-CD2 3.9Å; F595-F601 HydrophobicContact CD2-CD2 3.9Å; F595-F601 HydrophobicContact CE2-CD2 4.34Å; F595-F601 HydrophobicContact CG-CB 4.18Å; N597-F601 PolarHBondContact O-N 3.37Å; N597-F601 VanDerWaalsContact O-N 3.16Å; S598-F601 WeakPolarHBondContact O-CB 3.19Å; S598-F601 PolarHBondContact O-N 3Å; S599-F601 VanDerWaalsContact C-N 3.31Å; S599-F601 PolarHBondContact O-N 3.39Å; F601-T603 PolarHBondContact O-N 3.12Å; F601-H604 CarbonylContact O-C 3.23Å; F601-H604 WeakPolarHBondContact O-CB 3.46Å; F601-H604 PolarHBondContact O-N 2.98Å; F601-Q605 WeakPolarHBondContact O-CB 3.37Å; F601-Q605 PolarHBondContact O-N 3.3Å
602	I	82.3	Confident	78.8	Confident	75 Å²	75	76.5 Å²	76.5	39%	0.385	40%	0.397	S	S	.	.	H	α-helix	trans	-63.6	-41.5	178.6	-68.6	164.8	0	0	0	111	S598 S599 H604 Q605 R606	S598-I602 VanDerWaalsContact O-CG1 3.26Å; S598-I602 WeakPolarHBondContact O-CG1 3.3Å; S598-I602 PolarHBondContact O-N 3.11Å; S599-I602 PolarHBondContact O-N 2.95Å; I602-H604 VanDerWaalsContact C-N 3.29Å; I602-H604 PolarHBondContact O-N 3.44Å; I602-Q605 PolarHBondContact O-N 2.58Å; I602-R606 WeakPolarHBondContact O-CG 3.37Å; I602-R606 PolarHBondContact O-N 2.87Å; I602-R606 VanDerWaalsContact O-N 3.08Å
603	T	84.4	Confident	77.2	Confident	78 Å²	78	80.7 Å²	80.7	48%	0.479	41%	0.405	S	S	.	.	H	α-helix	trans	-63.6	-37.6	175.9	49.2	0	0	0	0	112	S599 N600 F601 R606	S599-T603 WeakPolarHBondContact O-CG2 3.34Å; S599-T603 PolarHBondContact O-N 2.91Å; S599-T603 PolarHBondContact O-OG1 3.22Å; N600-T603 VanDerWaalsContact CA-OG1 3.29Å; N600-T603 WeakPolarHBondContact CA-OG1 3.47Å; N600-T603 PolarHBondContact O-OG1 2.78Å; F601-T603 PolarHBondContact O-N 3.12Å; T603-R606 PolarHBondContact O-N 3.28Å
604	H	84.9	Confident	75.1	Confident	24 Å²	24	87.6 Å²	87.6	11%	0.111	43%	0.43	C	S	.	.	H	α-helix	trans	-69.6	-41.7	174.5	171.5	67.1	0	0	0	112.1	C591 F595 N600 F601 I602 R606 T607 H608	C591-H604 VanDerWaalsContact SG-CE1 3.55Å; C591-H604 PolarHBondContact SG-NE2 3.22Å; F595-H604 HydrophobicContact CE1-CB 3.94Å; F595-H604 HydrophobicContact CE2-CB 3.97Å; F595-H604 AromaticContact CE2-CD2 3.29Å; F595-H604 WeakPolarHBondContact CE2-CD2 3.43Å; F595-H604 AromaticContact CE2-CG 3.66Å; F595-H604 AromaticContact CE2-NE2 3.98Å; F595-H604 HydrophobicContact CZ-CB 3.45Å; F595-H604 VanDerWaalsContact CZ-CB 3.45Å; F595-H604 AromaticContact CZ-CD2 3.36Å; F595-H604 WeakPolarHBondContact CZ-CD2 3.48Å; F595-H604 AromaticContact CZ-CG 3.23Å; F595-H604 AromaticContact CZ-ND1 3.83Å; F595-H604 AromaticContact CZ-NE2 3.98Å; N600-H604 WeakPolarHBondContact O-CB 3.3Å; N600-H604 PolarHBondContact O-N 2.78Å; F601-H604 CarbonylContact O-C 3.23Å; F601-H604 WeakPolarHBondContact O-CB 3.46Å; F601-H604 PolarHBondContact O-N 2.98Å; I602-H604 VanDerWaalsContact C-N 3.29Å; I602-H604 PolarHBondContact O-N 3.44Å; H604-R606 PolarHBondContact O-N 3.13Å; H604-T607 PolarHBondContact O-N 3.48Å; H604-T607 PolarHBondContact O-OG1 3.26Å; H604-H608 AromaticContact CD2-NE2 3.93Å; H604-H608 AromaticContact CE1-NE2 3.19Å; H604-H608 PolarHBondContact CE1-NE2 3.44Å; H604-H608 AromaticContact NE2-CD2 3.77Å; H604-H608 AromaticContact NE2-NE2 3.03Å; H604-H608 PolarHBondContact NE2-NE2 3.04Å
605	Q	81.5	Confident	74.7	Confident	80 Å²	80	90.9 Å²	90.9	37%	0.374	44%	0.44	S	S	.	.	H	α-helix	trans	-59.7	-33.4	176.2	-170	177.8	-9.1	0	0	111.7	F601 I602 T607 H608 M609	F601-Q605 WeakPolarHBondContact O-CB 3.37Å; F601-Q605 PolarHBondContact O-N 3.3Å; I602-Q605 PolarHBondContact O-N 2.58Å; Q605-T607 VanDerWaalsContact C-N 3.26Å; Q605-T607 PolarHBondContact O-N 3.36Å; Q605-H608 PolarHBondContact O-N 3.1Å; Q605-M609 WeakPolarHBondContact O-CG 3.4Å; Q605-M609 PolarHBondContact O-N 3.13Å
606	R	84.3	Confident	74.3	Confident	152 Å²	152	93.5 Å²	93.5	57%	0.574	45%	0.453	S	S	*	.	H	α-helix	trans	-66.1	-21.5	173.9	-70.1	173.8	-171.4	176.8	2.1	113.9	I602 T603 H604 K610	I602-R606 WeakPolarHBondContact O-CG 3.37Å; I602-R606 PolarHBondContact O-N 2.87Å; I602-R606 VanDerWaalsContact O-N 3.08Å; T603-R606 PolarHBondContact O-N 3.28Å; H604-R606 PolarHBondContact O-N 3.13Å; R606-K610 WeakPolarHBondContact O-CG 3.12Å; R606-K610 PolarHBondContact O-N 3.22Å; R606-K610 VanDerWaalsContact O-N 3.13Å
607	T	84	Confident	74	Confident	61 Å²	61	96.7 Å²	96.7	37%	0.374	47%	0.465	S	S	.	.	H	α-helix	trans	-71.3	-42	176.7	65.7	0	0	0	0	110.8	H604 Q605 M609 K610 E611	H604-T607 PolarHBondContact O-N 3.48Å; H604-T607 PolarHBondContact O-OG1 3.26Å; Q605-T607 VanDerWaalsContact C-N 3.26Å; Q605-T607 PolarHBondContact O-N 3.36Å; T607-M609 VanDerWaalsContact C-N 3.3Å; T607-M609 PolarHBondContact O-N 3.32Å; T607-K610 PolarHBondContact O-N 3.3Å; T607-K610 VanDerWaalsContact O-N 3.12Å; T607-E611 WeakPolarHBondContact O-CG 3.3Å; T607-E611 PolarHBondContact O-N 2.77Å
608	H	79.3	Confident	73.5	Confident	29 Å²	29	100.4 Å²	100.4	13%	0.134	48%	0.481	C	S	.	.	H	α-helix	trans	-64.4	-34.6	174	-60.3	-67.2	0	0	0	112.6	E590 C591 H604 Q605 K610 E611 K612	E590-H608 WeakPolarHBondContact OE2-CB 3.4Å; E590-H608 IonicContact OE2-CD2 3.07Å; E590-H608 IonicContact OE2-CG 3.11Å; E590-H608 IonicContact OE2-ND1 3.57Å; C591-H608 PolarHBondContact SG-NE2 3.25Å; H604-H608 AromaticContact CD2-NE2 3.93Å; H604-H608 AromaticContact CE1-NE2 3.19Å; H604-H608 PolarHBondContact CE1-NE2 3.44Å; H604-H608 AromaticContact NE2-CD2 3.77Å; H604-H608 AromaticContact NE2-NE2 3.03Å; H604-H608 PolarHBondContact NE2-NE2 3.04Å; Q605-H608 PolarHBondContact O-N 3.1Å; H608-K610 VanDerWaalsContact C-N 3.31Å; H608-K610 PolarHBondContact O-N 2.82Å; H608-E611 PolarHBondContact O-N 2.81Å; H608-K612 PolarHBondContact O-N 3.3Å
609	M	70.7	Confident	72.9	Confident	120 Å²	120	104 Å²	104	59%	0.591	49%	0.493	S	S	*	.	H	α-helix	trans	-70	-27.4	174.8	-63	-169.6	84.1	0	0	113.2	Q605 T607	Q605-M609 WeakPolarHBondContact O-CG 3.4Å; Q605-M609 PolarHBondContact O-N 3.13Å; T607-M609 VanDerWaalsContact C-N 3.3Å; T607-M609 PolarHBondContact O-N 3.32Å
610	K	64.6	Low	72.3	Confident	151 Å²	151	106.5 Å²	106.5	66%	0.657	50%	0.495	S	S	*	.	H	α-helix	trans	-79.6	-34	174.5	-75.8	-178.7	176.4	-169.9	0	112.2	R606 T607 H608 K612 L613	R606-K610 WeakPolarHBondContact O-CG 3.12Å; R606-K610 PolarHBondContact O-N 3.22Å; R606-K610 VanDerWaalsContact O-N 3.13Å; T607-K610 PolarHBondContact O-N 3.3Å; T607-K610 VanDerWaalsContact O-N 3.12Å; H608-K610 VanDerWaalsContact C-N 3.31Å; H608-K610 PolarHBondContact O-N 2.82Å; K610-K612 VanDerWaalsContact C-N 3.31Å; K610-L613 PolarHBondContact O-N 3.03Å
611	E	57.7	Low	71.6	Confident	140 Å²	140	108.1 Å²	108.1	65%	0.654	50%	0.498	S	S	*	.	H	α-helix	trans	-71.5	-23.1	176.3	-74	173.4	177.6	0	0	113	T607 H608	T607-E611 WeakPolarHBondContact O-CG 3.3Å; T607-E611 PolarHBondContact O-N 2.77Å; H608-E611 PolarHBondContact O-N 2.81Å
612	K	56.1	Low	70.6	Confident	154 Å²	154	113.9 Å²	113.9	67%	0.67	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-3.5	174.9	-78.6	178.4	174.6	171.6	0	115.2	E590 H608 K610	E590-K612 IonicContact OE1-NZ 3.18Å; E590-K612 PolarHBondContact OE1-NZ 3.14Å; H608-K612 PolarHBondContact O-N 3.3Å; K610-K612 VanDerWaalsContact C-N 3.31Å
613	L	48.8	Very low	69.7	Low	145 Å²	145	117.2 Å²	117.2	76%	0.759	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	9.8	-176.1	-82.9	167	0	0	0	113.7	K610	K610-L613 PolarHBondContact O-N 3.03Å
614	Y	39.6	Very low	68.3	Low	272 Å²	272	120.7 Å²	120.7	100%	1.067	54%	0.542	S	S	*	.			trans	-122.4	0	175.8	-82.9	-78.9	0	0	0	111.9

Retrieved 614 of 614 residues in 1684.6 ms (Link to these results)

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