A0A096NPJ6_PAPAN Loading...

Zinc finger protein 317

AlphaFold DB , UniProt , Accession A0A096NPJ6, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF317, Length 595 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	33.3	Very low	31.4	Very low	241 Å²	241	135.8 Å²	135.8	100%	1.187	83%	0.832	S	S	*	*				0	81.7	0	-69.2	171.9	163.9	0	0	106.1
2	A	34.8	Very low	30.9	Very low	103 Å²	103	134 Å²	134	85%	0.851	82%	0.821	S	S	*	*				75	111.4	75.2	0	0	0	0	0	112.3
3	A	30.8	Very low	30.9	Very low	89 Å²	89	135.8 Å²	135.8	74%	0.736	81%	0.814	S	S	*	*			trans	162.9	96.8	142.1	0	0	0	0	0	107.8
4	L	30.2	Very low	30.5	Very low	172 Å²	172	134.4 Å²	134.4	90%	0.901	80%	0.8	S	S	*	*				73.5	110.2	84.2	-68.5	169.6	0	0	0	113.1
5	S	33.8	Very low	30.3	Very low	110 Å²	110	131.5 Å²	131.5	77%	0.769	79%	0.789	S	S	*	*			trans	-64.2	163.8	155	-42.9	0	0	0	0	109.8
6	P	43.6	Very low	30	Very low	112 Å²	112	131.7 Å²	131.7	73%	0.727	79%	0.792	S	S	*	*				-160.7	169.2	81.2	43.1	-21.8	0	0	0	118.3
7	T	28.9	Very low	29.6	Very low	118 Å²	118	129.9 Å²	129.9	72%	0.724	79%	0.785	S	S	*	*			trans	43.3	130.5	145.7	40.1	0	0	0	0	123.5
8	F	28.9	Very low	29.4	Very low	214 Å²	214	132.8 Å²	132.8	94%	0.939	79%	0.794	S	S	*	*			trans	-130	127.7	130.7	-105.7	-87.9	0	0	0	109.8
9	A	26.4	Very low	29.2	Very low	81 Å²	81	133.7 Å²	133.7	67%	0.669	79%	0.789	S	S	*	*			trans	-106.7	146.7	167	0	0	0	0	0	108.2
10	T	27.7	Very low	28.9	Very low	153 Å²	153	135.1 Å²	135.1	94%	0.939	79%	0.788	S	S	*	*			trans	-148.6	131.7	144.7	13	0	0	0	0	108.2
11	S	26.5	Very low	28.6	Very low	101 Å²	101	134 Å²	134	71%	0.706	79%	0.787	S	S	*	*			trans	-117.3	144.7	-173.3	156.9	0	0	0	0	106.8
12	T	25.8	Very low	28.1	Very low	114 Å²	114	130.2 Å²	130.2	70%	0.699	77%	0.767	S	S	*	*			trans	-173.7	112.2	135.6	18.9	0	0	0	0	107.8
13	Q	30.8	Very low	27.5	Very low	157 Å²	157	133.3 Å²	133.3	73%	0.734	76%	0.762	S	S	*	*				81.6	138.7	97.3	-79.6	179.7	-27.4	0	0	111.8
14	D	25.1	Very low	27.8	Very low	117 Å²	117	133.7 Å²	133.7	63%	0.626	76%	0.757	S	S	*	*			cis	-167.3	152.5	14.2	-124.8	-37	0	0	0	110.5
15	S	27.7	Very low	27.5	Very low	90 Å²	90	133.2 Å²	133.2	63%	0.629	75%	0.754	S	S	*	*			trans	53.1	144.6	133	-62.2	0	0	0	0	121
16	T	25	Very low	27	Very low	135 Å²	135	132.5 Å²	132.5	83%	0.828	75%	0.749	S	S	*	*			cis	-172.9	160.8	9.6	10.8	0	0	0	0	109.8
17	C	24.5	Very low	26.1	Very low	101 Å²	101	131.4 Å²	131.4	68%	0.682	74%	0.744	S	S	*	*			trans	-26.9	146.9	164.7	-161.9	0	0	0	0	120.4
18	L	25.5	Very low	25.9	Very low	182 Å²	182	135.7 Å²	135.7	95%	0.953	75%	0.753	S	S	*	*			trans	-147.6	142.7	137.6	-86.4	-176.3	0	0	0	111.8
19	Q	25.7	Very low	25.7	Very low	150 Å²	150	132.1 Å²	132.1	70%	0.701	74%	0.743	S	S	*	*			trans	-110.3	159.8	-173.5	-133.6	-179.6	-67.2	0	0	110.1
20	E	23.3	Very low	25.7	Very low	161 Å²	161	139.8 Å²	139.8	75%	0.752	76%	0.755	S	S	*	*			trans	84.7	128.9	147.2	-69.7	-178.5	177.5	0	0	124.7
21	S	22.8	Very low	25.6	Very low	112 Å²	112	137.7 Å²	137.7	78%	0.783	75%	0.747	S	S	*	*			trans	156.4	114.5	132.8	45.6	0	0	0	0	108.5
22	E	22.3	Very low	25.5	Very low	162 Å²	162	137.9 Å²	137.9	76%	0.757	75%	0.746	S	S	*	*				50.3	126.7	68.3	-68.2	-149.9	151.1	0	0	112.6
23	F	22.9	Very low	25.7	Very low	169 Å²	169	138.4 Å²	138.4	74%	0.741	75%	0.752	S	S	*	*			cis	-172.6	-157.1	23.7	-108.4	-55.8	0	0	0	106.5
24	P	36.7	Very low	25.5	Very low	97 Å²	97	139.1 Å²	139.1	63%	0.63	76%	0.755	S	S	*	*				-137.2	-167	-63.3	40.4	-21.7	0	0	0	115.5
25	L	23.4	Very low	25.5	Very low	162 Å²	162	140.8 Å²	140.8	85%	0.848	76%	0.764	S	S	*	*			trans	87.3	140.6	154.7	-70	165.9	0	0	0	118.7
26	S	22.8	Very low	25.4	Very low	95 Å²	95	144 Å²	144	66%	0.664	77%	0.773	S	S	*	*			cis	-167.5	148.1	10.6	178.4	0	0	0	0	112.9
27	S	25	Very low	25.3	Very low	88 Å²	88	144.5 Å²	144.5	62%	0.615	77%	0.771	S	S	*	*			trans	14.7	146.1	148.7	69.9	0	0	0	0	125.2
28	K	26	Very low	25.4	Very low	209 Å²	209	146.8 Å²	146.8	91%	0.909	78%	0.776	S	S	*	*				-159.6	133.2	114.4	-110.5	175.4	-176.4	175.2	0	113.7
29	D	23.7	Very low	25.4	Very low	139 Å²	139	148 Å²	148	74%	0.743	77%	0.774	S	S	*	*			trans	-69.4	161	-178.6	-62	-70.3	0	0	0	116.5
30	R	26.5	Very low	25.4	Very low	242 Å²	242	145.1 Å²	145.1	91%	0.913	78%	0.775	S	S	*	*				-164.5	96.7	127.2	-108.6	177.8	-171.9	-148.8	1.8	113.3
31	S	25.2	Very low	25.5	Very low	109 Å²	109	143.6 Å²	143.6	76%	0.762	78%	0.781	S	S	*	*				49.8	121.9	122.9	-39.1	0	0	0	0	122.4
32	C	24.7	Very low	25.5	Very low	104 Å²	104	144.1 Å²	144.1	70%	0.703	79%	0.785	S	S	*	*			trans	-72.4	175.6	155.5	-168.7	0	0	0	0	111.7
33	P	30.2	Very low	25.7	Very low	126 Å²	126	139.7 Å²	139.7	82%	0.818	78%	0.783	S	S	*	*				-134.8	146	118	32.1	-18.5	0	0	0	115.3
34	Q	27	Very low	25.8	Very low	172 Å²	172	140.4 Å²	140.4	80%	0.804	79%	0.793	S	S	*	*			trans	-84.5	155.9	173.9	-63.3	164.3	-33.9	0	0	111.9
35	N	24.7	Very low	25.2	Very low	152 Å²	152	144.3 Å²	144.3	81%	0.813	80%	0.803	S	S	*	*			trans	172.7	143.7	141.6	-101	-40.9	0	0	0	107.8
36	L	25.2	Very low	25.5	Very low	156 Å²	156	141.9 Å²	141.9	82%	0.817	80%	0.797	S	S	*	*			cis	-163.1	151.6	11.6	-167.4	73.9	0	0	0	107.3
37	D	24.1	Very low	25.7	Very low	146 Å²	146	146.5 Å²	146.5	78%	0.781	81%	0.808	S	S	*	*			trans	-78	172	-177.8	-97.7	-40.6	0	0	0	115.9
38	L	24.8	Very low	25.7	Very low	150 Å²	150	149 Å²	149	79%	0.785	82%	0.819	S	S	*	*			trans	86.2	112.8	155.8	-102.8	70.8	0	0	0	119.4
39	F	26	Very low	25.8	Very low	207 Å²	207	145 Å²	145	91%	0.908	82%	0.815	S	S	*	*				-169	123.5	118	-108.4	-78	0	0	0	110.8
40	A	25.3	Very low	25.9	Very low	89 Å²	89	144.2 Å²	144.2	74%	0.736	82%	0.82	S	S	*	*			trans	-87.9	138.2	166.5	0	0	0	0	0	109.4
41	C	25.3	Very low	26.2	Very low	129 Å²	129	139.5 Å²	139.5	87%	0.872	82%	0.818	S	S	*	*			trans	-153.1	121.9	156.3	-98	0	0	0	0	110.4
42	S	24.2	Very low	26.5	Very low	124 Å²	124	137.8 Å²	137.8	87%	0.867	82%	0.818	S	S	*	*			trans	-70.7	151.1	173.8	-44	0	0	0	0	112.5
43	G	25	Very low	27.1	Very low	69 Å²	69	138.3 Å²	138.3	71%	0.711	82%	0.823	S	S	*	*			trans	89	110.8	143.8	0	0	0	0	0	117.9
44	L	25.2	Very low	27.9	Very low	183 Å²	183	142 Å²	142	96%	0.958	83%	0.829	S	S	*	*				-176.8	130.6	123.5	-94.7	157.7	0	0	0	110.2
45	E	25.7	Very low	28.6	Very low	179 Å²	179	142.7 Å²	142.7	84%	0.836	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-62.2	153.6	-175.4	-69.8	-92.7	121	0	0	114.4
46	P	27.9	Very low	29.9	Very low	111 Å²	111	139.9 Å²	139.9	72%	0.721	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-93.2	132.9	176.9	32.4	-25.5	0	0	0	113.6
47	H	27.2	Very low	31.1	Very low	192 Å²	192	135.1 Å²	135.1	89%	0.889	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-70	133.1	168.5	-68.5	-78	0	0	0	112.1
48	T	25.5	Very low	33	Very low	140 Å²	140	131.6 Å²	131.6	86%	0.859	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-92.9	136.7	172.1	47.8	0	0	0	0	111.5
49	P	27.5	Very low	34.6	Very low	127 Å²	127	125 Å²	125	83%	0.825	75%	0.75	S	S	*	*			trans	-104.4	137.4	160.3	6.5	13.7	0	0	0	112.2
50	S	27.7	Very low	36.3	Very low	122 Å²	122	122.6 Å²	122.6	85%	0.853	74%	0.742	S	S	*	*			trans	-59.7	151.7	-178.7	-179.9	0	0	0	0	115.7
51	V	31.7	Very low	38.2	Very low	142 Å²	142	121.3 Å²	121.3	86%	0.861	72%	0.723	S	S	*	*			trans	-80.1	132.1	172.1	165.9	0	0	0	0	110.6
52	G	31.4	Very low	40	Very low	73 Å²	73	117.3 Å²	117.3	75%	0.753	70%	0.695	S	S	*	*			trans	-120.8	144.5	170.5	0	0	0	0	0	112.5
53	S	38.3	Very low	41.9	Very low	116 Å²	116	112.4 Å²	112.4	81%	0.811	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-69.5	157.2	-166.4	44.5	0	0	0	0	117.9
54	Q	45.9	Very low	44	Very low	204 Å²	204	112.8 Å²	112.8	95%	0.953	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-61.5	128.8	174.4	-76.6	172.7	-79.7	0	0	113.6
55	E	41.1	Very low	45.6	Very low	186 Å²	186	108.6 Å²	108.6	87%	0.869	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-95.3	145.8	169.1	-74.1	-179.8	152.9	0	0	112.3
56	S	52	Low	47.3	Very low	93 Å²	93	103.6 Å²	103.6	65%	0.65	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-90.6	146.4	176.8	52.8	0	0	0	0	112.5
57	V	52.2	Low	49	Very low	56 Å²	56	102 Å²	102	34%	0.339	59%	0.592	S	S	.	*			trans	-108.7	135.6	-172.6	-179.8	0	0	0	0	110.6	D61 V62 L93	V57-D61 HydrophobicContact CG1-CB 3.87Å; V57-V62 HydrophobicContact CG1-CG1 4.1Å; V57-L93 HydrophobicContact CG1-CD2 4.39Å
58	T	62.8	Low	50	Low	72 Å²	72	101.9 Å²	101.9	44%	0.442	59%	0.592	S	S	.	*			trans	-105.8	167.7	179.3	70.6	0	0	0	0	112.6	Q60 D61	T58-Q60 VanDerWaalsContact C-N 3.31Å; T58-Q60 PolarHBondContact O-N 3.01Å; T58-D61 WeakPolarHBondContact CA-OD2 3.4Å; T58-D61 WeakPolarHBondContact CB-OD2 3.18Å; T58-D61 PolarHBondContact N-OD2 3.06Å; T58-D61 VanDerWaalsContact O-CB 3.27Å; T58-D61 WeakPolarHBondContact O-CB 3.33Å; T58-D61 PolarHBondContact O-N 3.18Å; T58-D61 VanDerWaalsContact O-N 3.11Å; T58-D61 VanDerWaalsContact OG1-CG 3.26Å; T58-D61 PolarHBondContact OG1-OD2 3.38Å
59	F	58.8	Low	51.3	Low	10 Å²	10	104 Å²	104	4%	0.044	59%	0.59	C	S	.	*	G	3₁₀ helix	trans	-64.8	-33.5	178.4	-179.6	-95.4	0	0	0	113.4	D61 V62 A63 N89 Y90 L93 V100 P103 I106	F59-D61 PolarHBondContact O-N 3.44Å; F59-V62 HydrophobicContact CD2-CG2 4.12Å; F59-V62 CarbonylContact O-C 3.56Å; F59-V62 VanDerWaalsContact O-CG2 3.27Å; F59-V62 WeakPolarHBondContact O-CG2 3.3Å; F59-V62 PolarHBondContact O-N 3.06Å; F59-A63 HydrophobicContact CD1-CB 4.03Å; F59-A63 HydrophobicContact CE1-CB 3.68Å; F59-A63 HydrophobicContact CZ-CB 4.08Å; F59-A63 WeakPolarHBondContact O-CB 3.39Å; F59-A63 PolarHBondContact O-N 3.34Å; F59-N89 HydrophobicContact CE2-CB 4.29Å; F59-Y90 AromaticContact CD2-CD2 3.96Å; F59-Y90 HydrophobicContact CD2-CD2 3.96Å; F59-Y90 HydrophobicContact CD2-CG 4.42Å; F59-Y90 VanDerWaalsContact CE2-CA 3.49Å; F59-Y90 VanDerWaalsContact CE2-CB 3.45Å; F59-Y90 HydrophobicContact CE2-CD2 4.24Å; F59-Y90 HydrophobicContact CE2-CG 4.33Å; F59-Y90 HydrophobicContact CG-CD2 4.41Å; F59-L93 HydrophobicContact CB-CD1 3.79Å; F59-L93 HydrophobicContact CD2-CD1 4.03Å; F59-L93 HydrophobicContact CG-CD1 4.4Å; F59-V100 HydrophobicContact CB-CG1 3.72Å; F59-P103 HydrophobicContact CB-CG 4.48Å; F59-P103 HydrophobicContact CD1-CB 4.19Å; F59-P103 HydrophobicContact CD1-CG 3.47Å; F59-P103 VanDerWaalsContact CD1-CG 3.47Å; F59-P103 HydrophobicContact CE1-CB 4.28Å; F59-P103 HydrophobicContact CE1-CG 3.89Å; F59-P103 HydrophobicContact CG-CG 4.06Å; F59-I106 HydrophobicContact CE1-CD1 4.2Å; F59-I106 HydrophobicContact CE1-CG1 4.01Å; F59-I106 HydrophobicContact CE2-CD1 4.23Å; F59-I106 HydrophobicContact CE2-CG1 4.45Å; F59-I106 HydrophobicContact CZ-CD1 3.52Å; F59-I106 HydrophobicContact CZ-CG1 3.75Å
60	Q	62.5	Low	52.5	Low	157 Å²	157	102.4 Å²	102.4	73%	0.734	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-67.7	-16.7	176.1	-157.3	155	10.8	0	0	112.8	T58 V62	T58-Q60 VanDerWaalsContact C-N 3.31Å; T58-Q60 PolarHBondContact O-N 3.01Å; Q60-V62 VanDerWaalsContact C-N 3.33Å
61	D	63.8	Low	54.3	Low	63 Å²	63	99.1 Å²	99.1	34%	0.337	54%	0.54	S	S	.	.	G	3₁₀ helix	trans	-80.4	-13.9	173.6	-62.6	-62.4	0	0	0	114	V57 T58 F59 K204	V57-D61 HydrophobicContact CG1-CB 3.87Å; T58-D61 WeakPolarHBondContact CA-OD2 3.4Å; T58-D61 WeakPolarHBondContact CB-OD2 3.18Å; T58-D61 PolarHBondContact N-OD2 3.06Å; T58-D61 VanDerWaalsContact O-CB 3.27Å; T58-D61 WeakPolarHBondContact O-CB 3.33Å; T58-D61 PolarHBondContact O-N 3.18Å; T58-D61 VanDerWaalsContact O-N 3.11Å; T58-D61 VanDerWaalsContact OG1-CG 3.26Å; T58-D61 PolarHBondContact OG1-OD2 3.38Å; F59-D61 PolarHBondContact O-N 3.44Å; D61-K204 HydrophobicContact CB-CD 4.11Å; D61-K204 VanDerWaalsContact CB-NZ 3.32Å; D61-K204 IonicContact OD1-NZ 2.81Å; D61-K204 PolarHBondContact OD1-NZ 2.97Å; D61-K204 IonicContact OD2-NZ 3.66Å; D61-K204 PolarHBondContact OD2-NZ 2.82Å
62	V	64.1	Low	55.7	Low	45 Å²	45	96.3 Å²	96.3	27%	0.273	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	-10.1	-178.2	-59.7	0	0	0	0	112.9	V57 F59 Q60 N89 L93	V57-V62 HydrophobicContact CG1-CG1 4.1Å; F59-V62 HydrophobicContact CD2-CG2 4.12Å; F59-V62 CarbonylContact O-C 3.56Å; F59-V62 VanDerWaalsContact O-CG2 3.27Å; F59-V62 WeakPolarHBondContact O-CG2 3.3Å; F59-V62 PolarHBondContact O-N 3.06Å; Q60-V62 VanDerWaalsContact C-N 3.33Å; V62-N89 HydrophobicContact CB-CB 4.44Å; V62-N89 HydrophobicContact CG2-CB 4.03Å; V62-N89 PolarHBondContact O-ND2 2.97Å; V62-L93 HydrophobicContact CG2-CD1 3.35Å; V62-L93 HydrophobicContact CG2-CG 4.17Å
63	A	63.4	Low	57.4	Low	20 Å²	20	99.7 Å²	99.7	17%	0.165	53%	0.525	C	S	.	.			trans	-70.1	138.4	168.8	0	0	0	0	0	109.1	F59 M86	F59-A63 HydrophobicContact CD1-CB 4.03Å; F59-A63 HydrophobicContact CE1-CB 3.68Å; F59-A63 HydrophobicContact CZ-CB 4.08Å; F59-A63 WeakPolarHBondContact O-CB 3.39Å; F59-A63 PolarHBondContact O-N 3.34Å; A63-M86 HydrophobicContact CB-SD 4.26Å
64	V	68.4	Low	58.7	Low	78 Å²	78	95.5 Å²	95.5	47%	0.473	49%	0.493	S	S	.	.			trans	-106.3	131.8	166.5	177.5	0	0	0	0	103.9	Y82 M86	V64-Y82 HydrophobicContact CB-CE2 4.18Å; V64-Y82 HydrophobicContact CG1-CE2 4.3Å; V64-Y82 WeakPolarHBondContact O-CE2 3.46Å; V64-Y82 VanDerWaalsContact O-CZ 3.24Å; V64-Y82 PolarHBondContact O-OH 3.48Å; V64-M86 HydrophobicContact CB-CE 3.69Å; V64-M86 HydrophobicContact CB-SD 4.31Å; V64-M86 HydrophobicContact CG2-CE 3.82Å; V64-M86 PolarHBondContact N-SD 3.44Å
65	D	60.6	Low	59.7	Low	95 Å²	95	89.6 Å²	89.6	51%	0.508	47%	0.468	S	S	.	.			trans	-114.3	136.6	178.2	-64.3	-42.7	0	0	0	108.8	L105	D65-L105 VanDerWaalsContact OD1-CD2 3.22Å; D65-L105 WeakPolarHBondContact OD1-CD2 3.33Å
66	F	60.2	Low	60.3	Low	74 Å²	74	85.8 Å²	85.8	33%	0.325	46%	0.462	S	S	.	.			trans	-100.9	139.5	169.6	-73.8	-72.8	0	0	0	109.7	E70 W71 L74 Y82	F66-E70 HydrophobicContact CB-CB 4.5Å; F66-E70 HydrophobicContact CD1-CB 4.19Å; F66-W71 HydrophobicContact CB-CE3 3.94Å; F66-W71 AromaticContact CD2-CE3 3.8Å; F66-W71 HydrophobicContact CD2-CE3 3.8Å; F66-W71 AromaticContact CD2-CZ3 3.74Å; F66-W71 HydrophobicContact CD2-CZ3 3.74Å; F66-W71 HydrophobicContact CE2-CZ3 4.36Å; F66-W71 HydrophobicContact CG-CE3 4.14Å; F66-L74 HydrophobicContact CD1-CD1 4.01Å; F66-L74 HydrophobicContact CD2-CD1 3.67Å; F66-L74 HydrophobicContact CE1-CD1 3.89Å; F66-L74 HydrophobicContact CE1-CD2 4.14Å; F66-L74 HydrophobicContact CE1-CG 4.47Å; F66-L74 HydrophobicContact CE2-CD1 3.49Å; F66-L74 VanDerWaalsContact CE2-CD1 3.49Å; F66-L74 HydrophobicContact CG-CD1 3.92Å; F66-L74 HydrophobicContact CZ-CD1 3.62Å; F66-L74 HydrophobicContact CZ-CD2 4.03Å; F66-L74 HydrophobicContact CZ-CG 4.44Å; F66-Y82 HydrophobicContact CD2-CD1 4.45Å; F66-Y82 AromaticContact CD2-CD2 3.57Å; F66-Y82 HydrophobicContact CD2-CD2 3.57Å; F66-Y82 HydrophobicContact CD2-CE1 4.32Å; F66-Y82 AromaticContact CD2-CE2 3.34Å; F66-Y82 HydrophobicContact CD2-CE2 3.34Å; F66-Y82 HydrophobicContact CD2-CG 4.05Å; F66-Y82 AromaticContact CD2-CZ 3.76Å; F66-Y82 AromaticContact CE2-CD2 3.19Å; F66-Y82 HydrophobicContact CE2-CD2 3.19Å; F66-Y82 AromaticContact CE2-CE2 3.46Å; F66-Y82 HydrophobicContact CE2-CE2 3.46Å; F66-Y82 VanDerWaalsContact CE2-CE2 3.46Å; F66-Y82 AromaticContact CE2-CG 3.73Å; F66-Y82 HydrophobicContact CE2-CG 3.73Å; F66-Y82 HydrophobicContact CZ-CD2 4.33Å
67	T	63.1	Low	60.7	Low	78 Å²	78	85.8 Å²	85.8	48%	0.479	46%	0.462	S	S	.	.			trans	-71.8	156.7	173.4	64	0	0	0	0	110.9	K69 E70 W71	T67-K69 PolarHBondContact O-N 3.05Å; T67-E70 WeakPolarHBondContact CB-OE2 3.26Å; T67-E70 WeakPolarHBondContact CG2-OE2 3.48Å; T67-E70 PolarHBondContact N-OE2 2.98Å; T67-E70 PolarHBondContact O-N 3.36Å; T67-E70 WeakPolarHBondContact OG1-CG 3.41Å; T67-E70 PolarHBondContact OG1-N 3.25Å; T67-E70 PolarHBondContact OG1-OE2 3.28Å; T67-W71 PolarHBondContact O-N 3.19Å; T67-W71 VanDerWaalsContact O-N 3.09Å
68	E	49.2	Very low	61	Low	188 Å²	188	87.4 Å²	87.4	88%	0.879	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.6	177.4	-72.5	-171.5	155	0	0	113.4	P72	E68-P72 VanDerWaalsContact O-CD 3.29Å; E68-P72 WeakPolarHBondContact O-CD 3.35Å
69	K	52	Low	61.4	Low	186 Å²	186	88.1 Å²	88.1	81%	0.809	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-24.8	176	-63.8	-176.9	-179.4	179.2	0	113.5	T67	T67-K69 PolarHBondContact O-N 3.05Å
70	E	53	Low	61.8	Low	92 Å²	92	94.1 Å²	94.1	43%	0.43	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-31.2	-178.2	-70.6	165.5	142.8	0	0	112.5	F66 T67 P72 L73	F66-E70 HydrophobicContact CB-CB 4.5Å; F66-E70 HydrophobicContact CD1-CB 4.19Å; T67-E70 WeakPolarHBondContact CB-OE2 3.26Å; T67-E70 WeakPolarHBondContact CG2-OE2 3.48Å; T67-E70 PolarHBondContact N-OE2 2.98Å; T67-E70 PolarHBondContact O-N 3.36Å; T67-E70 WeakPolarHBondContact OG1-CG 3.41Å; T67-E70 PolarHBondContact OG1-N 3.25Å; T67-E70 PolarHBondContact OG1-OE2 3.28Å; E70-P72 VanDerWaalsContact C-CD 3.48Å; E70-L73 WeakPolarHBondContact O-CB 3.29Å; E70-L73 PolarHBondContact O-N 3.49Å
71	W	66	Low	62	Low	53 Å²	53	91.9 Å²	91.9	20%	0.201	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-56	-41.5	-179.2	-168.7	-114.3	0	0	0	114.3	F66 T67 L73 L74 R79 Y82 L109	F66-W71 HydrophobicContact CB-CE3 3.94Å; F66-W71 AromaticContact CD2-CE3 3.8Å; F66-W71 HydrophobicContact CD2-CE3 3.8Å; F66-W71 AromaticContact CD2-CZ3 3.74Å; F66-W71 HydrophobicContact CD2-CZ3 3.74Å; F66-W71 HydrophobicContact CE2-CZ3 4.36Å; F66-W71 HydrophobicContact CG-CE3 4.14Å; T67-W71 PolarHBondContact O-N 3.19Å; T67-W71 VanDerWaalsContact O-N 3.09Å; W71-L73 PolarHBondContact O-N 3.26Å; W71-L74 HydrophobicContact CE3-CD1 3.7Å; W71-L74 HydrophobicContact CZ3-CD1 3.99Å; W71-L74 PolarHBondContact O-N 2.71Å; W71-R79 HydrophobicContact CH2-CB 4.23Å; W71-R79 HydrophobicContact CH2-CG 4.26Å; W71-R79 HydrophobicContact CZ2-CB 4.35Å; W71-R79 HydrophobicContact CZ2-CG 4.23Å; W71-R79 HydrophobicContact CZ3-CG 4.5Å; W71-R79 VanDerWaalsContact O-CZ 3.24Å; W71-R79 PolarHBondContact O-NE 3.34Å; W71-R79 PolarHBondContact O-NH2 3.18Å; W71-R79 VanDerWaalsContact O-NH2 3.17Å; W71-Y82 AromaticContact CH2-CD1 3.5Å; W71-Y82 HydrophobicContact CH2-CD1 3.5Å; W71-Y82 AromaticContact CH2-CE1 3.78Å; W71-Y82 HydrophobicContact CH2-CE1 3.78Å; W71-Y82 HydrophobicContact CH2-CG 4.39Å; W71-Y82 AromaticContact CZ3-CD1 3.43Å; W71-Y82 HydrophobicContact CZ3-CD1 3.43Å; W71-Y82 VanDerWaalsContact CZ3-CD1 3.43Å; W71-Y82 AromaticContact CZ3-CE1 3.56Å; W71-Y82 HydrophobicContact CZ3-CE1 3.56Å; W71-Y82 HydrophobicContact CZ3-CG 4.04Å; W71-L109 HydrophobicContact CH2-CD2 4.38Å
72	P	60.9	Low	62.5	Low	84 Å²	84	89.8 Å²	89.8	55%	0.545	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-66.3	-22.8	177.4	-21	34.4	0	0	0	114	E68 E70 L74 R79	E68-P72 VanDerWaalsContact O-CD 3.29Å; E68-P72 WeakPolarHBondContact O-CD 3.35Å; E70-P72 VanDerWaalsContact C-CD 3.48Å; P72-L74 VanDerWaalsContact C-N 3.33Å; P72-R79 PolarHBondContact O-NH2 3.43Å; P72-R79 VanDerWaalsContact O-NH2 3.08Å
73	L	67.9	Low	62.9	Low	144 Å²	144	89.4 Å²	89.4	75%	0.754	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-81.2	-14	-177.6	-59.1	175.8	0	0	0	113	E70 W71	E70-L73 WeakPolarHBondContact O-CB 3.29Å; E70-L73 PolarHBondContact O-N 3.49Å; W71-L73 PolarHBondContact O-N 3.26Å
74	L	64.9	Low	63.1	Low	28 Å²	28	92.4 Å²	92.4	15%	0.147	47%	0.474	C	S	.	.	S	Bend	trans	-79.7	133.7	176.3	-63.1	169.7	0	0	0	110.4	F66 W71 P72 Q78 R79	F66-L74 HydrophobicContact CD1-CD1 4.01Å; F66-L74 HydrophobicContact CD2-CD1 3.67Å; F66-L74 HydrophobicContact CE1-CD1 3.89Å; F66-L74 HydrophobicContact CE1-CD2 4.14Å; F66-L74 HydrophobicContact CE1-CG 4.47Å; F66-L74 HydrophobicContact CE2-CD1 3.49Å; F66-L74 VanDerWaalsContact CE2-CD1 3.49Å; F66-L74 HydrophobicContact CG-CD1 3.92Å; F66-L74 HydrophobicContact CZ-CD1 3.62Å; F66-L74 HydrophobicContact CZ-CD2 4.03Å; F66-L74 HydrophobicContact CZ-CG 4.44Å; W71-L74 HydrophobicContact CE3-CD1 3.7Å; W71-L74 HydrophobicContact CZ3-CD1 3.99Å; W71-L74 PolarHBondContact O-N 2.71Å; P72-L74 VanDerWaalsContact C-N 3.33Å; L74-Q78 HydrophobicContact CB-CB 4.21Å; L74-Q78 HydrophobicContact CD2-CB 4.08Å; L74-R79 HydrophobicContact CB-CG 3.6Å; L74-R79 HydrophobicContact CD1-CG 4.29Å; L74-R79 VanDerWaalsContact O-CZ 3.31Å; L74-R79 PolarHBondContact O-NE 3.17Å; L74-R79 PolarHBondContact O-NH2 2.78Å
75	D	65.9	Low	63.4	Low	80 Å²	80	91.2 Å²	91.2	43%	0.428	47%	0.467	S	S	.	.			trans	-73	166.7	171.1	73.1	50.9	0	0	0	111.9	S77 Q78 R79	D75-S77 PolarHBondContact O-N 2.97Å; D75-S77 VanDerWaalsContact O-N 3.16Å; D75-S77 WeakPolarHBondContact OD1-CA 3.4Å; D75-S77 VanDerWaalsContact OD1-CB 3.29Å; D75-S77 WeakPolarHBondContact OD1-CB 3.47Å; D75-S77 PolarHBondContact OD1-N 3.08Å; D75-Q78 VanDerWaalsContact N-OE1 3.11Å; D75-Q78 PolarHBondContact O-N 3.08Å; D75-Q78 VanDerWaalsContact O-N 3.11Å; D75-Q78 WeakPolarHBondContact OD1-CG 3.42Å; D75-Q78 PolarHBondContact OD1-N 3.12Å; D75-Q78 VanDerWaalsContact OD2-CD 3.31Å; D75-R79 PolarHBondContact O-N 3.35Å
76	S	55.3	Low	64.2	Low	106 Å²	106	86.8 Å²	86.8	74%	0.741	44%	0.443	S	S	*	.	H	α-helix	trans	-60.1	-28.4	-175.8	-41.8	0	0	0	0	113.7	K80	S76-K80 WeakPolarHBondContact O-CB 2.94Å; S76-K80 PolarHBondContact O-N 2.76Å
77	S	58.8	Low	64.8	Low	92 Å²	92	85.5 Å²	85.5	64%	0.643	44%	0.439	S	S	*	.	H	α-helix	trans	-78.2	-36.6	178.3	-57.5	0	0	0	0	111.3	D75 L81	D75-S77 PolarHBondContact O-N 2.97Å; D75-S77 VanDerWaalsContact O-N 3.16Å; D75-S77 WeakPolarHBondContact OD1-CA 3.4Å; D75-S77 VanDerWaalsContact OD1-CB 3.29Å; D75-S77 WeakPolarHBondContact OD1-CB 3.47Å; D75-S77 PolarHBondContact OD1-N 3.08Å; S77-L81 WeakPolarHBondContact O-CB 3.39Å; S77-L81 PolarHBondContact O-N 2.82Å
78	Q	59	Low	65.3	Low	90 Å²	90	87.5 Å²	87.5	42%	0.421	44%	0.443	S	S	.	.	H	α-helix	trans	-70	-41.7	176.8	-67.5	172.1	-21.7	0	0	112.1	L74 D75 K80 L81 Y82	L74-Q78 HydrophobicContact CB-CB 4.21Å; L74-Q78 HydrophobicContact CD2-CB 4.08Å; D75-Q78 VanDerWaalsContact N-OE1 3.11Å; D75-Q78 PolarHBondContact O-N 3.08Å; D75-Q78 VanDerWaalsContact O-N 3.11Å; D75-Q78 WeakPolarHBondContact OD1-CG 3.42Å; D75-Q78 PolarHBondContact OD1-N 3.12Å; D75-Q78 VanDerWaalsContact OD2-CD 3.31Å; Q78-K80 VanDerWaalsContact C-N 3.32Å; Q78-K80 PolarHBondContact O-N 3.34Å; Q78-L81 PolarHBondContact O-N 2.9Å; Q78-Y82 WeakPolarHBondContact O-CB 3.43Å; Q78-Y82 PolarHBondContact O-N 2.98Å
79	R	70.8	Confident	66.4	Low	88 Å²	88	80.5 Å²	80.5	33%	0.332	41%	0.412	S	S	.	.	H	α-helix	trans	-63.6	-39.2	174.6	-64.5	-174.4	-157.6	-174.7	5.2	112	W71 P72 L74 D75 Y82 K83	W71-R79 HydrophobicContact CH2-CB 4.23Å; W71-R79 HydrophobicContact CH2-CG 4.26Å; W71-R79 HydrophobicContact CZ2-CB 4.35Å; W71-R79 HydrophobicContact CZ2-CG 4.23Å; W71-R79 HydrophobicContact CZ3-CG 4.5Å; W71-R79 VanDerWaalsContact O-CZ 3.24Å; W71-R79 PolarHBondContact O-NE 3.34Å; W71-R79 PolarHBondContact O-NH2 3.18Å; W71-R79 VanDerWaalsContact O-NH2 3.17Å; P72-R79 PolarHBondContact O-NH2 3.43Å; P72-R79 VanDerWaalsContact O-NH2 3.08Å; L74-R79 HydrophobicContact CB-CG 3.6Å; L74-R79 HydrophobicContact CD1-CG 4.29Å; L74-R79 VanDerWaalsContact O-CZ 3.31Å; L74-R79 PolarHBondContact O-NE 3.17Å; L74-R79 PolarHBondContact O-NH2 2.78Å; D75-R79 PolarHBondContact O-N 3.35Å; R79-Y82 WeakPolarHBondContact O-CB 3.26Å; R79-Y82 PolarHBondContact O-N 3.3Å; R79-K83 PolarHBondContact O-N 3.37Å
80	K	67.8	Low	67.3	Low	136 Å²	136	73.7 Å²	73.7	59%	0.591	38%	0.381	S	S	*	.	H	α-helix	trans	-64	-45.8	174.4	-175.7	170.9	-176.7	166.9	0	112.1	S76 Q78 Y82 K83 D84	S76-K80 WeakPolarHBondContact O-CB 2.94Å; S76-K80 PolarHBondContact O-N 2.76Å; Q78-K80 VanDerWaalsContact C-N 3.32Å; Q78-K80 PolarHBondContact O-N 3.34Å; K80-Y82 VanDerWaalsContact C-N 3.3Å; K80-Y82 PolarHBondContact O-N 3.43Å; K80-K83 PolarHBondContact O-N 3.27Å; K80-D84 PolarHBondContact O-N 3.45Å
81	L	66.1	Low	68.2	Low	109 Å²	109	72.5 Å²	72.5	57%	0.571	38%	0.383	S	S	*	.	H	α-helix	trans	-60.7	-40.7	176	-179.8	62.8	0	0	0	111.7	S77 Q78 D84 V85	S77-L81 WeakPolarHBondContact O-CB 3.39Å; S77-L81 PolarHBondContact O-N 2.82Å; Q78-L81 PolarHBondContact O-N 2.9Å; L81-D84 PolarHBondContact O-N 3.27Å; L81-V85 HydrophobicContact CD1-CG2 4.07Å; L81-V85 HydrophobicContact CG-CG2 4.39Å; L81-V85 WeakPolarHBondContact O-CB 3.3Å; L81-V85 WeakPolarHBondContact O-CG2 3.31Å; L81-V85 PolarHBondContact O-N 3.3Å
82	Y	76.1	Confident	68.3	Low	20 Å²	20	73.7 Å²	73.7	8%	0.078	39%	0.394	C	S	.	.	H	α-helix	trans	-60.2	-48.7	175.2	172.8	-98.7	0	0	0	112.1	V64 F66 W71 Q78 R79 K80 D84 V85 M86 L109	V64-Y82 HydrophobicContact CB-CE2 4.18Å; V64-Y82 HydrophobicContact CG1-CE2 4.3Å; V64-Y82 WeakPolarHBondContact O-CE2 3.46Å; V64-Y82 VanDerWaalsContact O-CZ 3.24Å; V64-Y82 PolarHBondContact O-OH 3.48Å; F66-Y82 HydrophobicContact CD2-CD1 4.45Å; F66-Y82 AromaticContact CD2-CD2 3.57Å; F66-Y82 HydrophobicContact CD2-CD2 3.57Å; F66-Y82 HydrophobicContact CD2-CE1 4.32Å; F66-Y82 AromaticContact CD2-CE2 3.34Å; F66-Y82 HydrophobicContact CD2-CE2 3.34Å; F66-Y82 HydrophobicContact CD2-CG 4.05Å; F66-Y82 AromaticContact CD2-CZ 3.76Å; F66-Y82 AromaticContact CE2-CD2 3.19Å; F66-Y82 HydrophobicContact CE2-CD2 3.19Å; F66-Y82 AromaticContact CE2-CE2 3.46Å; F66-Y82 HydrophobicContact CE2-CE2 3.46Å; F66-Y82 VanDerWaalsContact CE2-CE2 3.46Å; F66-Y82 AromaticContact CE2-CG 3.73Å; F66-Y82 HydrophobicContact CE2-CG 3.73Å; F66-Y82 HydrophobicContact CZ-CD2 4.33Å; W71-Y82 AromaticContact CH2-CD1 3.5Å; W71-Y82 HydrophobicContact CH2-CD1 3.5Å; W71-Y82 AromaticContact CH2-CE1 3.78Å; W71-Y82 HydrophobicContact CH2-CE1 3.78Å; W71-Y82 HydrophobicContact CH2-CG 4.39Å; W71-Y82 AromaticContact CZ3-CD1 3.43Å; W71-Y82 HydrophobicContact CZ3-CD1 3.43Å; W71-Y82 VanDerWaalsContact CZ3-CD1 3.43Å; W71-Y82 AromaticContact CZ3-CE1 3.56Å; W71-Y82 HydrophobicContact CZ3-CE1 3.56Å; W71-Y82 HydrophobicContact CZ3-CG 4.04Å; Q78-Y82 WeakPolarHBondContact O-CB 3.43Å; Q78-Y82 PolarHBondContact O-N 2.98Å; R79-Y82 WeakPolarHBondContact O-CB 3.26Å; R79-Y82 PolarHBondContact O-N 3.3Å; K80-Y82 VanDerWaalsContact C-N 3.3Å; K80-Y82 PolarHBondContact O-N 3.43Å; Y82-D84 PolarHBondContact O-N 2.85Å; Y82-V85 PolarHBondContact O-N 2.77Å; Y82-M86 HydrophobicContact CD1-CG 4.3Å; Y82-M86 HydrophobicContact CD2-CE 4.46Å; Y82-M86 HydrophobicContact CD2-CG 4.11Å; Y82-M86 HydrophobicContact CE1-CG 4.08Å; Y82-M86 HydrophobicContact CE2-CE 4.45Å; Y82-M86 HydrophobicContact CE2-CG 3.92Å; Y82-M86 HydrophobicContact CE2-SD 4.31Å; Y82-M86 HydrophobicContact CG-CG 4.37Å; Y82-M86 WeakPolarHBondContact O-CB 3.33Å; Y82-M86 VanDerWaalsContact O-CG 3.31Å; Y82-M86 WeakPolarHBondContact O-CG 3.49Å; Y82-M86 PolarHBondContact O-N 2.77Å; Y82-L109 HydrophobicContact CD1-CD2 4.24Å; Y82-L109 HydrophobicContact CE1-CD1 4.02Å; Y82-L109 HydrophobicContact CE1-CD2 4.05Å
83	K	70.8	Confident	68.4	Low	36 Å²	36	70.2 Å²	70.2	16%	0.157	37%	0.37	C	S	.	.	H	α-helix	trans	-57.1	-47.5	176.2	176.7	169.1	168.6	167.5	0	111.7	R79 K80 V85 M86 L87 L109	R79-K83 PolarHBondContact O-N 3.37Å; K80-K83 PolarHBondContact O-N 3.27Å; K83-V85 PolarHBondContact O-N 3.44Å; K83-M86 PolarHBondContact O-N 3.27Å; K83-L87 HydrophobicContact CG-CD1 3.88Å; K83-L87 WeakPolarHBondContact O-CB 3.43Å; K83-L87 VanDerWaalsContact O-CG 3.32Å; K83-L87 WeakPolarHBondContact O-CG 3.35Å; K83-L87 PolarHBondContact O-N 3.13Å; K83-L109 HydrophobicContact CB-CD2 4.39Å; K83-L109 WeakPolarHBondContact CD-O 3.38Å; K83-L109 WeakPolarHBondContact CE-O 3.49Å; K83-L109 HydrophobicContact CG-CB 4.37Å; K83-L109 PolarHBondContact NZ-O 3.09Å
84	D	68.2	Low	68.1	Low	84 Å²	84	66.5 Å²	66.5	45%	0.449	35%	0.353	S	S	.	.	H	α-helix	trans	-61.3	-43.7	179.7	-70.3	-16.6	0	0	0	111.6	K80 L81 Y82 E88	K80-D84 PolarHBondContact O-N 3.45Å; L81-D84 PolarHBondContact O-N 3.27Å; Y82-D84 PolarHBondContact O-N 2.85Å; D84-E88 VanDerWaalsContact O-CB 3.3Å; D84-E88 WeakPolarHBondContact O-CB 3.23Å; D84-E88 PolarHBondContact O-N 3.33Å
85	V	74.3	Confident	68.1	Low	52 Å²	52	69.5 Å²	69.5	32%	0.315	38%	0.377	S	S	.	.	H	α-helix	trans	-70.1	-39.5	-179.6	175.9	0	0	0	0	111.8	L81 Y82 K83 E88 N89	L81-V85 HydrophobicContact CD1-CG2 4.07Å; L81-V85 HydrophobicContact CG-CG2 4.39Å; L81-V85 WeakPolarHBondContact O-CB 3.3Å; L81-V85 WeakPolarHBondContact O-CG2 3.31Å; L81-V85 PolarHBondContact O-N 3.3Å; Y82-V85 PolarHBondContact O-N 2.77Å; K83-V85 PolarHBondContact O-N 3.44Å; V85-E88 PolarHBondContact O-N 2.92Å; V85-N89 WeakPolarHBondContact O-CB 3.34Å; V85-N89 PolarHBondContact O-N 3.31Å
86	M	78.1	Confident	67.9	Low	2 Å²	2	71.6 Å²	71.6	1%	0.01	39%	0.388	C	S	.	.	H	α-helix	trans	-67.2	-39.8	178.7	-69.8	-53.7	105.9	0	0	112	A63 V64 Y82 K83 N89 Y90 I106 L109	A63-M86 HydrophobicContact CB-SD 4.26Å; V64-M86 HydrophobicContact CB-CE 3.69Å; V64-M86 HydrophobicContact CB-SD 4.31Å; V64-M86 HydrophobicContact CG2-CE 3.82Å; V64-M86 PolarHBondContact N-SD 3.44Å; Y82-M86 HydrophobicContact CD1-CG 4.3Å; Y82-M86 HydrophobicContact CD2-CE 4.46Å; Y82-M86 HydrophobicContact CD2-CG 4.11Å; Y82-M86 HydrophobicContact CE1-CG 4.08Å; Y82-M86 HydrophobicContact CE2-CE 4.45Å; Y82-M86 HydrophobicContact CE2-CG 3.92Å; Y82-M86 HydrophobicContact CE2-SD 4.31Å; Y82-M86 HydrophobicContact CG-CG 4.37Å; Y82-M86 WeakPolarHBondContact O-CB 3.33Å; Y82-M86 VanDerWaalsContact O-CG 3.31Å; Y82-M86 WeakPolarHBondContact O-CG 3.49Å; Y82-M86 PolarHBondContact O-N 2.77Å; K83-M86 PolarHBondContact O-N 3.27Å; M86-N89 PolarHBondContact O-N 2.56Å; M86-Y90 PolarHBondContact O-N 2.8Å; M86-Y90 VanDerWaalsContact O-N 3.1Å; M86-I106 HydrophobicContact CB-CD1 4.19Å; M86-L109 HydrophobicContact CB-CD1 3.94Å; M86-L109 HydrophobicContact CG-CD1 4.27Å
87	L	72.2	Confident	67.8	Low	47 Å²	47	69.7 Å²	69.7	25%	0.246	38%	0.384	C	S	.	.	H	α-helix	trans	-68.5	-40.2	175.3	-69.3	169.9	0	0	0	112.2	K83 Y90 S91 I106 E110	K83-L87 HydrophobicContact CG-CD1 3.88Å; K83-L87 WeakPolarHBondContact O-CB 3.43Å; K83-L87 VanDerWaalsContact O-CG 3.32Å; K83-L87 WeakPolarHBondContact O-CG 3.35Å; K83-L87 PolarHBondContact O-N 3.13Å; L87-Y90 PolarHBondContact O-N 3.11Å; L87-S91 WeakPolarHBondContact O-CB 3.27Å; L87-S91 PolarHBondContact O-N 2.94Å; L87-I106 HydrophobicContact CD2-CD1 4.29Å; L87-I106 HydrophobicContact CD2-CG2 3.85Å; L87-E110 HydrophobicContact CD2-CG 3.97Å
88	E	74.3	Confident	67.9	Low	121 Å²	121	69.9 Å²	69.9	57%	0.565	37%	0.371	S	S	*	.	H	α-helix	trans	-64.9	-40.6	175.7	-173.9	176.1	-173.5	0	0	111.5	D84 V85 S91 N92	D84-E88 VanDerWaalsContact O-CB 3.3Å; D84-E88 WeakPolarHBondContact O-CB 3.23Å; D84-E88 PolarHBondContact O-N 3.33Å; V85-E88 PolarHBondContact O-N 2.92Å; E88-S91 PolarHBondContact O-N 3.14Å; E88-N92 WeakPolarHBondContact O-CB 3.39Å; E88-N92 VanDerWaalsContact O-CG 3.22Å; E88-N92 PolarHBondContact O-N 3.42Å; E88-N92 PolarHBondContact O-ND2 2.84Å
89	N	72.5	Confident	67.5	Low	40 Å²	40	74.8 Å²	74.8	21%	0.214	40%	0.395	C	S	.	.	H	α-helix	trans	-64.3	-40.4	176.3	-75	-10.2	0	0	0	112.2	F59 V62 V85 M86 N92 L93	F59-N89 HydrophobicContact CE2-CB 4.29Å; V62-N89 HydrophobicContact CB-CB 4.44Å; V62-N89 HydrophobicContact CG2-CB 4.03Å; V62-N89 PolarHBondContact O-ND2 2.97Å; V85-N89 WeakPolarHBondContact O-CB 3.34Å; V85-N89 PolarHBondContact O-N 3.31Å; M86-N89 PolarHBondContact O-N 2.56Å; N89-N92 PolarHBondContact O-N 2.82Å; N89-L93 PolarHBondContact O-N 3.18Å
90	Y	71.3	Confident	66.8	Low	44 Å²	44	72.1 Å²	72.1	17%	0.173	39%	0.388	C	S	.	.	H	α-helix	trans	-62.7	-50.3	176	178.9	-110.4	0	0	0	110.8	F59 M86 L87 N92 L93 T94 V100 K102 I106	F59-Y90 AromaticContact CD2-CD2 3.96Å; F59-Y90 HydrophobicContact CD2-CD2 3.96Å; F59-Y90 HydrophobicContact CD2-CG 4.42Å; F59-Y90 VanDerWaalsContact CE2-CA 3.49Å; F59-Y90 VanDerWaalsContact CE2-CB 3.45Å; F59-Y90 HydrophobicContact CE2-CD2 4.24Å; F59-Y90 HydrophobicContact CE2-CG 4.33Å; F59-Y90 HydrophobicContact CG-CD2 4.41Å; M86-Y90 PolarHBondContact O-N 2.8Å; M86-Y90 VanDerWaalsContact O-N 3.1Å; L87-Y90 PolarHBondContact O-N 3.11Å; Y90-N92 VanDerWaalsContact C-N 3.3Å; Y90-N92 PolarHBondContact O-N 3.02Å; Y90-L93 PolarHBondContact O-N 3.47Å; Y90-L93 VanDerWaalsContact O-N 3.14Å; Y90-T94 PolarHBondContact O-N 3.06Å; Y90-T94 VanDerWaalsContact O-N 3.09Å; Y90-T94 PolarHBondContact O-OG1 3.28Å; Y90-T94 VanDerWaalsContact O-OG1 3.07Å; Y90-V100 HydrophobicContact CE2-CG1 4.48Å; Y90-K102 HydrophobicContact CE1-CG 4.48Å; Y90-K102 WeakPolarHBondContact OH-CA 3.44Å; Y90-I106 HydrophobicContact CD1-CG2 4.35Å; Y90-I106 HydrophobicContact CD2-CG1 4.46Å; Y90-I106 HydrophobicContact CG-CG1 4.29Å
91	S	70.4	Confident	66.4	Low	66 Å²	66	68.7 Å²	68.7	46%	0.462	39%	0.391	S	S	.	.	H	α-helix	trans	-58.4	-39.9	178.5	-177.4	0	0	0	0	112.8	L87 E88 T94 S95	L87-S91 WeakPolarHBondContact O-CB 3.27Å; L87-S91 PolarHBondContact O-N 2.94Å; E88-S91 PolarHBondContact O-N 3.14Å; S91-T94 PolarHBondContact O-N 3.12Å; S91-S95 WeakPolarHBondContact O-CB 3.24Å; S91-S95 PolarHBondContact O-N 3.37Å; S91-S95 PolarHBondContact O-OG 3.46Å
92	N	68.1	Low	66	Low	79 Å²	79	68.2 Å²	68.2	42%	0.422	38%	0.384	S	S	.	.	H	α-helix	trans	-65.5	-38.3	177.8	-77.2	-41.8	0	0	0	112.7	E88 N89 Y90 S95 L96	E88-N92 WeakPolarHBondContact O-CB 3.39Å; E88-N92 VanDerWaalsContact O-CG 3.22Å; E88-N92 PolarHBondContact O-N 3.42Å; E88-N92 PolarHBondContact O-ND2 2.84Å; N89-N92 PolarHBondContact O-N 2.82Å; Y90-N92 VanDerWaalsContact C-N 3.3Å; Y90-N92 PolarHBondContact O-N 3.02Å; N92-S95 PolarHBondContact O-N 3.31Å; N92-L96 WeakPolarHBondContact O-CG 3.44Å; N92-L96 PolarHBondContact O-N 3.2Å
93	L	63.3	Low	65.5	Low	11 Å²	11	68.8 Å²	68.8	6%	0.058	39%	0.39	C	S	.	.	H	α-helix	trans	-71.3	-39.7	178.1	-74.9	177.9	0	0	0	112.5	V57 F59 V62 N89 Y90 S95 L96	V57-L93 HydrophobicContact CG1-CD2 4.39Å; F59-L93 HydrophobicContact CB-CD1 3.79Å; F59-L93 HydrophobicContact CD2-CD1 4.03Å; F59-L93 HydrophobicContact CG-CD1 4.4Å; V62-L93 HydrophobicContact CG2-CD1 3.35Å; V62-L93 HydrophobicContact CG2-CG 4.17Å; N89-L93 PolarHBondContact O-N 3.18Å; Y90-L93 PolarHBondContact O-N 3.47Å; Y90-L93 VanDerWaalsContact O-N 3.14Å; L93-S95 VanDerWaalsContact C-N 3.3Å; L93-S95 PolarHBondContact O-N 3.02Å; L93-L96 PolarHBondContact O-N 3.35Å
94	T	62.9	Low	64.9	Low	65 Å²	65	71.2 Å²	71.2	40%	0.399	41%	0.412	S	S	.	.	H	α-helix	trans	-63.7	-37.5	173	-42.3	0	0	0	0	111.4	Y90 S91 L96 G97	Y90-T94 PolarHBondContact O-N 3.06Å; Y90-T94 VanDerWaalsContact O-N 3.09Å; Y90-T94 PolarHBondContact O-OG1 3.28Å; Y90-T94 VanDerWaalsContact O-OG1 3.07Å; S91-T94 PolarHBondContact O-N 3.12Å; T94-L96 VanDerWaalsContact C-N 3.26Å; T94-L96 PolarHBondContact O-N 3.49Å; T94-G97 PolarHBondContact O-N 2.83Å; T94-G97 VanDerWaalsContact O-N 3.14Å
95	S	65.1	Low	64.5	Low	92 Å²	92	69.6 Å²	69.6	64%	0.643	40%	0.403	S	S	*	.	H	α-helix	trans	-70.1	-19.3	179.1	-59.5	0	0	0	0	114.2	S91 N92 L93 G97	S91-S95 WeakPolarHBondContact O-CB 3.24Å; S91-S95 PolarHBondContact O-N 3.37Å; S91-S95 PolarHBondContact O-OG 3.46Å; N92-S95 PolarHBondContact O-N 3.31Å; L93-S95 VanDerWaalsContact C-N 3.3Å; L93-S95 PolarHBondContact O-N 3.02Å; S95-G97 VanDerWaalsContact C-N 3.25Å
96	L	61	Low	64	Low	124 Å²	124	67.1 Å²	67.1	65%	0.649	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	6.2	174.3	-69.5	169.8	0	0	0	112.7	N92 L93 T94 Y98	N92-L96 WeakPolarHBondContact O-CG 3.44Å; N92-L96 PolarHBondContact O-N 3.2Å; L93-L96 PolarHBondContact O-N 3.35Å; T94-L96 VanDerWaalsContact C-N 3.26Å; T94-L96 PolarHBondContact O-N 3.49Å; L96-Y98 HydrophobicContact CB-CD2 3.68Å; L96-Y98 HydrophobicContact CB-CE2 3.69Å; L96-Y98 HydrophobicContact CD1-CE2 4.41Å
97	G	53.7	Low	63.2	Low	65 Å²	65	68.8 Å²	68.8	67%	0.67	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	10.5	175.9	0	0	0	0	0	114.5	T94 S95	T94-G97 PolarHBondContact O-N 2.83Å; T94-G97 VanDerWaalsContact O-N 3.14Å; S95-G97 VanDerWaalsContact C-N 3.25Å
98	Y	60.2	Low	62.6	Low	96 Å²	96	72.1 Å²	72.1	38%	0.376	41%	0.414	S	S	.	.			trans	-80.2	122.1	174.5	-62.6	-74.7	0	0	0	109.9	L96 V100	L96-Y98 HydrophobicContact CB-CD2 3.68Å; L96-Y98 HydrophobicContact CB-CE2 3.69Å; L96-Y98 HydrophobicContact CD1-CE2 4.41Å; Y98-V100 VanDerWaalsContact C-N 3.28Å; Y98-V100 PolarHBondContact O-N 3.15Å
99	Q	50.1	Low	62	Low	194 Å²	194	66.7 Å²	66.7	91%	0.907	39%	0.389	S	S	*	.			trans	-73.8	84.2	173.6	-69.7	-67.7	1.6	0	0	109.6
100	V	57.6	Low	61.4	Low	32 Å²	32	69 Å²	69	19%	0.194	40%	0.399	C	S	.	.			trans	-100.5	114.2	174.8	-173.7	0	0	0	0	107.8	F59 Y90 Y98	F59-V100 HydrophobicContact CB-CG1 3.72Å; Y90-V100 HydrophobicContact CE2-CG1 4.48Å; Y98-V100 VanDerWaalsContact C-N 3.28Å; Y98-V100 PolarHBondContact O-N 3.15Å
101	G	57.5	Low	60.4	Low	63 Å²	63	73.8 Å²	73.8	65%	0.649	42%	0.423	S	S	*	.			trans	-61.3	142.4	172.1	0	0	0	0	0	110.8	P103	G101-P103 WeakPolarHBondContact O-CD 3.4Å; G101-P103 VanDerWaalsContact O-N 3.12Å
102	K	57.8	Low	59.4	Low	99 Å²	99	76.6 Å²	76.6	43%	0.43	43%	0.428	S	S	.	.			trans	-59.9	113.1	-174.8	-168.1	174.2	-174.8	171.6	0	111	Y90 I106 E110	Y90-K102 HydrophobicContact CE1-CG 4.48Å; Y90-K102 WeakPolarHBondContact OH-CA 3.44Å; K102-I106 HydrophobicContact CG-CB 4.46Å; K102-I106 HydrophobicContact CG-CG2 4.21Å; K102-E110 WeakPolarHBondContact CE-OE1 3.48Å; K102-E110 WeakPolarHBondContact CE-OE2 3.37Å; K102-E110 IonicContact NZ-OE1 2.7Å; K102-E110 PolarHBondContact NZ-OE1 3.47Å; K102-E110 IonicContact NZ-OE2 3.23Å; K102-E110 PolarHBondContact NZ-OE2 3.19Å
103	P	66.1	Low	58.1	Low	32 Å²	32	79.8 Å²	79.8	21%	0.208	44%	0.441	C	S	.	.			trans	-69.8	146.6	-177	-20	34.1	0	0	0	111.9	F59 G101 L105 I106 S107	F59-P103 HydrophobicContact CB-CG 4.48Å; F59-P103 HydrophobicContact CD1-CB 4.19Å; F59-P103 HydrophobicContact CD1-CG 3.47Å; F59-P103 VanDerWaalsContact CD1-CG 3.47Å; F59-P103 HydrophobicContact CE1-CB 4.28Å; F59-P103 HydrophobicContact CE1-CG 3.89Å; F59-P103 HydrophobicContact CG-CG 4.06Å; G101-P103 WeakPolarHBondContact O-CD 3.4Å; G101-P103 VanDerWaalsContact O-N 3.12Å; P103-L105 PolarHBondContact O-N 2.79Å; P103-I106 HydrophobicContact CG-CG1 4.42Å; P103-I106 WeakPolarHBondContact O-CB 3.42Å; P103-I106 PolarHBondContact O-N 3.01Å; P103-S107 PolarHBondContact O-N 3.3Å
104	S	57.5	Low	56.6	Low	88 Å²	88	86.3 Å²	86.3	62%	0.615	47%	0.471	S	S	*	.	H	α-helix	trans	-54.5	-36	179.9	51	0	0	0	0	113.2	I106 S107 H108	S104-I106 VanDerWaalsContact C-N 3.35Å; S104-I106 PolarHBondContact O-N 3.26Å; S104-S107 WeakPolarHBondContact O-CB 3.25Å; S104-S107 PolarHBondContact O-N 3.03Å; S104-H108 PolarHBondContact O-N 3.06Å
105	L	61.3	Low	54.9	Low	49 Å²	49	89.1 Å²	89.1	26%	0.257	49%	0.49	S	S	.	.	H	α-helix	trans	-60.3	-40	175.1	-175.4	69.1	0	0	0	112.9	D65 P103 H108 L109	D65-L105 VanDerWaalsContact OD1-CD2 3.22Å; D65-L105 WeakPolarHBondContact OD1-CD2 3.33Å; P103-L105 PolarHBondContact O-N 2.79Å; L105-H108 PolarHBondContact O-N 3.04Å; L105-L109 HydrophobicContact CG-CD1 4.15Å; L105-L109 WeakPolarHBondContact O-CB 3.46Å; L105-L109 VanDerWaalsContact O-CG 3.27Å; L105-L109 WeakPolarHBondContact O-CG 3.42Å; L105-L109 PolarHBondContact O-N 3.15Å
106	I	62.9	Low	53	Low	0 Å²	0	94.5 Å²	94.5	0%	0	50%	0.496	C	S	.	.	H	α-helix	trans	-68	-39.3	177.1	-66.5	-56.3	0	0	0	110.4	F59 M86 L87 Y90 K102 P103 S104 L109 E110	F59-I106 HydrophobicContact CE1-CD1 4.2Å; F59-I106 HydrophobicContact CE1-CG1 4.01Å; F59-I106 HydrophobicContact CE2-CD1 4.23Å; F59-I106 HydrophobicContact CE2-CG1 4.45Å; F59-I106 HydrophobicContact CZ-CD1 3.52Å; F59-I106 HydrophobicContact CZ-CG1 3.75Å; M86-I106 HydrophobicContact CB-CD1 4.19Å; L87-I106 HydrophobicContact CD2-CD1 4.29Å; L87-I106 HydrophobicContact CD2-CG2 3.85Å; Y90-I106 HydrophobicContact CD1-CG2 4.35Å; Y90-I106 HydrophobicContact CD2-CG1 4.46Å; Y90-I106 HydrophobicContact CG-CG1 4.29Å; K102-I106 HydrophobicContact CG-CB 4.46Å; K102-I106 HydrophobicContact CG-CG2 4.21Å; P103-I106 HydrophobicContact CG-CG1 4.42Å; P103-I106 WeakPolarHBondContact O-CB 3.42Å; P103-I106 PolarHBondContact O-N 3.01Å; S104-I106 VanDerWaalsContact C-N 3.35Å; S104-I106 PolarHBondContact O-N 3.26Å; I106-L109 PolarHBondContact O-N 2.82Å; I106-E110 VanDerWaalsContact O-CG 3.31Å; I106-E110 WeakPolarHBondContact O-CG 3.28Å; I106-E110 PolarHBondContact O-N 3.5Å
107	S	61.9	Low	51.4	Low	38 Å²	38	95 Å²	95	27%	0.266	51%	0.505	S	S	.	.	H	α-helix	trans	-64.4	-40	175.3	-58.1	0	0	0	0	112.5	P103 S104 Q111	P103-S107 PolarHBondContact O-N 3.3Å; S104-S107 WeakPolarHBondContact O-CB 3.25Å; S104-S107 PolarHBondContact O-N 3.03Å; S107-Q111 WeakPolarHBondContact O-CG 3.26Å; S107-Q111 PolarHBondContact O-N 3.34Å
108	H	60.2	Low	50	Low	116 Å²	116	100.9 Å²	100.9	54%	0.537	52%	0.515	S	S	.	.	H	α-helix	trans	-68	-42.9	176	-69.7	-177.2	0	0	0	112.2	S104 L105 E110 Q111 E112	S104-H108 PolarHBondContact O-N 3.06Å; L105-H108 PolarHBondContact O-N 3.04Å; H108-E110 VanDerWaalsContact C-N 3.27Å; H108-E110 PolarHBondContact O-N 3.29Å; H108-Q111 PolarHBondContact O-N 3.29Å; H108-E112 PolarHBondContact O-N 3.09Å
109	L	61.4	Low	48.5	Very low	8 Å²	8	105.3 Å²	105.3	4%	0.042	54%	0.539	C	S	.	.	H	α-helix	trans	-64.4	-31.7	178	-73.4	171.7	0	0	0	112.5	W71 Y82 K83 M86 L105 I106	W71-L109 HydrophobicContact CH2-CD2 4.38Å; Y82-L109 HydrophobicContact CD1-CD2 4.24Å; Y82-L109 HydrophobicContact CE1-CD1 4.02Å; Y82-L109 HydrophobicContact CE1-CD2 4.05Å; K83-L109 HydrophobicContact CB-CD2 4.39Å; K83-L109 WeakPolarHBondContact CD-O 3.38Å; K83-L109 WeakPolarHBondContact CE-O 3.49Å; K83-L109 HydrophobicContact CG-CB 4.37Å; K83-L109 PolarHBondContact NZ-O 3.09Å; M86-L109 HydrophobicContact CB-CD1 3.94Å; M86-L109 HydrophobicContact CG-CD1 4.27Å; L105-L109 HydrophobicContact CG-CD1 4.15Å; L105-L109 WeakPolarHBondContact O-CB 3.46Å; L105-L109 VanDerWaalsContact O-CG 3.27Å; L105-L109 WeakPolarHBondContact O-CG 3.42Å; L105-L109 PolarHBondContact O-N 3.15Å; I106-L109 PolarHBondContact O-N 2.82Å
110	E	60.3	Low	47.4	Very low	89 Å²	89	108 Å²	108	42%	0.416	54%	0.541	S	S	.	.	H	α-helix	trans	-71.3	-28.3	172.5	-73.7	174.6	-176.1	0	0	113.1	L87 K102 I106 H108	L87-E110 HydrophobicContact CD2-CG 3.97Å; K102-E110 WeakPolarHBondContact CE-OE1 3.48Å; K102-E110 WeakPolarHBondContact CE-OE2 3.37Å; K102-E110 IonicContact NZ-OE1 2.7Å; K102-E110 PolarHBondContact NZ-OE1 3.47Å; K102-E110 IonicContact NZ-OE2 3.23Å; K102-E110 PolarHBondContact NZ-OE2 3.19Å; I106-E110 VanDerWaalsContact O-CG 3.31Å; I106-E110 WeakPolarHBondContact O-CG 3.28Å; I106-E110 PolarHBondContact O-N 3.5Å; H108-E110 VanDerWaalsContact C-N 3.27Å; H108-E110 PolarHBondContact O-N 3.29Å
111	Q	48.4	Very low	45.8	Very low	144 Å²	144	109.4 Å²	109.4	67%	0.673	56%	0.562	S	S	*	*	H	α-helix	trans	-85.8	-21.9	-177.1	-75.3	176.8	-8	0	0	115	S107 H108 E113	S107-Q111 WeakPolarHBondContact O-CG 3.26Å; S107-Q111 PolarHBondContact O-N 3.34Å; H108-Q111 PolarHBondContact O-N 3.29Å; Q111-E113 PolarHBondContact O-N 3.02Å
112	E	49.5	Very low	44.2	Very low	124 Å²	124	112.2 Å²	112.2	58%	0.579	57%	0.566	S	S	*	*			trans	-70.2	4.2	-179.9	-74.3	-169.6	161.2	0	0	115.3	H108 E114	H108-E112 PolarHBondContact O-N 3.09Å; E112-E114 PolarHBondContact O-N 3.39Å
113	E	42.2	Very low	42.8	Very low	147 Å²	147	116.4 Å²	116.4	69%	0.687	59%	0.587	S	S	*	*			trans	-90.5	90.4	161	-86.9	-172.6	165.3	0	0	109	Q111	Q111-E113 PolarHBondContact O-N 3.02Å
114	E	30.9	Very low	40.9	Very low	148 Å²	148	123.8 Å²	123.8	69%	0.692	62%	0.618	S	S	*	*			trans	175.6	101.3	142.4	-87.2	-89.6	140.1	0	0	107.7	E112 R116	E112-E114 PolarHBondContact O-N 3.39Å; E114-R116 IonicContact OE2-NE 2.8Å
115	P	26.8	Very low	39.3	Very low	124 Å²	124	123.2 Å²	123.2	81%	0.805	63%	0.626	S	S	*	*				-120	121.5	125	-2	21.3	0	0	0	110.6	T117	P115-T117 PolarHBondContact O-N 3.07Å
116	R	26.8	Very low	37.6	Very low	205 Å²	205	126.2 Å²	126.2	77%	0.774	66%	0.659	S	S	*	*			trans	-52	127.4	163.1	-65.7	174.6	179.1	170.1	-4.8	109.7	E114 E118	E114-R116 IonicContact OE2-NE 2.8Å; R116-E118 PolarHBondContact O-N 2.87Å
117	T	26.5	Very low	35.7	Very low	134 Å²	134	132.1 Å²	132.1	82%	0.822	70%	0.699	S	S	*	*			trans	-68.8	103.4	152.4	40.6	0	0	0	0	107.3	P115 E119	P115-T117 PolarHBondContact O-N 3.07Å; T117-E119 PolarHBondContact O-N 3.34Å
118	E	24.6	Very low	34	Very low	189 Å²	189	134.4 Å²	134.4	88%	0.883	72%	0.719	S	S	*	*			trans	-62.5	112.2	162.8	-83	-176.2	151.6	0	0	108.8	R116	R116-E118 PolarHBondContact O-N 2.87Å
119	E	27.3	Very low	32.3	Very low	188 Å²	188	135.1 Å²	135.1	88%	0.879	73%	0.727	S	S	*	*			trans	-71.6	138.7	167.7	-65.6	-176.4	150.6	0	0	110.1	T117	T117-E119 PolarHBondContact O-N 3.34Å
120	R	27.1	Very low	30.5	Very low	252 Å²	252	145 Å²	145	95%	0.951	76%	0.764	S	S	*	*			trans	-119.5	115.8	158.1	-173.9	-177.6	-68.2	-109	0.1	108.6
121	G	24.4	Very low	28.8	Very low	61 Å²	61	148.3 Å²	148.3	63%	0.629	78%	0.779	S	S	*	*			trans	115.1	75.4	148.2	0	0	0	0	0	117.8
122	T	24.8	Very low	27.8	Very low	121 Å²	121	147.7 Å²	147.7	74%	0.742	79%	0.786	S	S	*	*			trans	29.7	119.5	131.1	-11.5	0	0	0	0	119.5
123	H	27.8	Very low	26.7	Very low	188 Å²	188	148.2 Å²	148.2	87%	0.87	80%	0.8	S	S	*	*				-161.8	136.1	113.5	-105.2	-79.4	0	0	0	111.7
124	Q	26	Very low	26	Very low	186 Å²	186	145.7 Å²	145.7	87%	0.869	80%	0.799	S	S	*	*			trans	-69	153.5	-169.7	-69.4	159.5	-50.1	0	0	115.2
125	G	25.1	Very low	26.3	Very low	76 Å²	76	148.5 Å²	148.5	78%	0.784	81%	0.808	S	S	*	*			trans	174.8	67.4	160.2	0	0	0	0	0	116.3
126	A	25.2	Very low	26.7	Very low	113 Å²	113	146.8 Å²	146.8	93%	0.934	80%	0.796	S	S	*	*			trans	46.5	136.4	154.1	0	0	0	0	0	122.4
127	C	22.3	Very low	27	Very low	124 Å²	124	145.4 Å²	145.4	84%	0.838	80%	0.796	S	S	*	*			trans	-99.7	154	-168.8	-163.8	0	0	0	0	113.8
128	A	26.2	Very low	27.1	Very low	85 Å²	85	147.4 Å²	147.4	70%	0.702	79%	0.788	S	S	*	*				-179.2	120	127.6	0	0	0	0	0	113.8
129	D	23.8	Very low	27.4	Very low	131 Å²	131	143.1 Å²	143.1	70%	0.701	78%	0.779	S	S	*	*			trans	62.3	109.7	140.5	-53.2	-20.4	0	0	0	123.1
130	W	23.6	Very low	27.7	Very low	217 Å²	217	140.5 Å²	140.5	82%	0.822	77%	0.77	S	S	*	*				-175.7	126	88.8	-97.5	88.8	0	0	0	112.1
131	E	25.4	Very low	27.8	Very low	157 Å²	157	132.7 Å²	132.7	73%	0.734	75%	0.747	S	S	*	*			trans	-0.7	132	164.5	-56.7	-175.6	153.8	0	0	123.2
132	T	26.7	Very low	27.9	Very low	132 Å²	132	136.5 Å²	136.5	81%	0.81	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-64.7	134.5	155.1	33.1	0	0	0	0	113.6
133	P	26.5	Very low	28.2	Very low	134 Å²	134	136.5 Å²	136.5	87%	0.87	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-78.1	125.4	165.5	-17.8	32.7	0	0	0	112.7
134	S	29	Very low	28.4	Very low	95 Å²	95	134.4 Å²	134.4	66%	0.664	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-72.5	146.6	-175.3	46.8	0	0	0	0	115.2	T136	S134-T136 VanDerWaalsContact C-N 3.32Å; S134-T136 PolarHBondContact O-N 3Å
135	K	36.9	Very low	28.8	Very low	206 Å²	206	131.1 Å²	131.1	90%	0.896	72%	0.724	S	S	*	*	S	Bend	trans	-66.3	80.5	162.9	-72.3	175.2	176.3	174.2	0	109.9
136	T	35.8	Very low	29.2	Very low	89 Å²	89	136.1 Å²	136.1	55%	0.546	72%	0.724	S	S	.	*			trans	-153.2	4.8	170.2	-2	0	0	0	0	116.3	S134	S134-T136 VanDerWaalsContact C-N 3.32Å; S134-T136 PolarHBondContact O-N 3Å
137	K	31.1	Very low	29.4	Very low	175 Å²	175	134 Å²	134	76%	0.761	71%	0.714	S	S	*	*	H	α-helix	trans	-91.7	-17.1	-174.8	-158.2	168.3	-175.4	172.7	0	115.5
138	W	30.2	Very low	29.7	Very low	177 Å²	177	136 Å²	136	67%	0.67	71%	0.709	S	S	*	*	H	α-helix	trans	-78.5	-26.3	-178.1	-87.5	114.9	0	0	0	113.9
139	S	30	Very low	29.7	Very low	98 Å²	98	141.1 Å²	141.1	69%	0.685	72%	0.718	S	S	*	*	H	α-helix	trans	-80.9	-31.1	178.8	-43	0	0	0	0	112.8
140	L	33.8	Very low	29.8	Very low	133 Å²	133	141.2 Å²	141.2	70%	0.696	72%	0.723	S	S	*	*	H	α-helix	trans	-84	-13.5	-179.4	-76.4	166	0	0	0	114.3
141	L	30.2	Very low	30.5	Very low	88 Å²	88	136.5 Å²	136.5	46%	0.461	72%	0.721	S	S	.	*	S	Bend	trans	-88.1	-20.2	-178.3	-165.4	68.5	0	0	0	113.3	E143	L141-E143 VanDerWaalsContact C-N 3.33Å
142	M	26.1	Very low	30.5	Very low	142 Å²	142	135.1 Å²	135.1	70%	0.7	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-15.4	-178	-73.2	-69	-91.2	0	0	113.4
143	E	31.6	Very low	30.8	Very low	120 Å²	120	132.5 Å²	132.5	56%	0.561	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-12.2	176.7	-73.2	-163.6	118	0	0	114.1	L141 K148	L141-E143 VanDerWaalsContact C-N 3.33Å; E143-K148 IonicContact OE1-NZ 2.88Å; E143-K148 PolarHBondContact OE1-NZ 3.26Å
144	D	30.5	Very low	30.6	Very low	145 Å²	145	132.9 Å²	132.9	78%	0.775	73%	0.727	S	S	*	*	S	Bend	trans	-96.2	-4.9	-174.6	-138.3	31.3	0	0	0	113.5
145	I	34.8	Very low	30.6	Very low	116 Å²	116	134.5 Å²	134.5	60%	0.595	73%	0.733	S	S	*	*	S	Bend	trans	-99.4	-24	-176.6	-61.3	177.5	0	0	0	112.4
146	F	34.5	Very low	29.9	Very low	181 Å²	181	132.9 Å²	132.9	79%	0.794	73%	0.731	S	S	*	*	S	Bend	trans	-123.3	83.8	173.8	-69.2	-79.8	0	0	0	108.7	K148	F146-K148 PolarHBondContact O-N 3.38Å
147	G	28.3	Very low	29.3	Very low	69 Å²	69	137.1 Å²	137.1	71%	0.711	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-53.2	134.1	-179	0	0	0	0	0	112.8	E149	G147-E149 PolarHBondContact O-N 3.46Å
148	K	28	Very low	29.5	Very low	167 Å²	167	141 Å²	141	73%	0.726	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-68.8	116.6	168.8	-67.9	169.4	-177.3	163	0	108.4	E143 F146	E143-K148 IonicContact OE1-NZ 2.88Å; E143-K148 PolarHBondContact OE1-NZ 3.26Å; F146-K148 PolarHBondContact O-N 3.38Å
149	E	27.4	Very low	29.5	Very low	191 Å²	191	137.3 Å²	137.3	89%	0.893	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-78.4	135	163.7	-69.3	-168.9	169.7	0	0	110	G147	G147-E149 PolarHBondContact O-N 3.46Å
150	T	25.1	Very low	29.6	Very low	134 Å²	134	135.8 Å²	135.8	82%	0.822	76%	0.762	S	S	*	*			trans	-139.6	153.8	160.3	49.3	0	0	0	0	110.2
151	P	38.5	Very low	29.4	Very low	118 Å²	118	137.8 Å²	137.8	77%	0.766	77%	0.772	S	S	*	*			trans	-98.5	139.6	-136.6	35.8	-32.1	0	0	0	113
152	S	26.4	Very low	29.4	Very low	127 Å²	127	137.6 Å²	137.6	89%	0.888	78%	0.783	S	S	*	*			trans	-159	122.7	148	-85.1	0	0	0	0	109.1
153	G	31.3	Very low	29.8	Very low	78 Å²	78	138.9 Å²	138.9	80%	0.804	79%	0.787	S	S	*	*			trans	-70.3	137.3	-168.4	0	0	0	0	0	113.4
154	V	22.9	Very low	29.8	Very low	142 Å²	142	141.7 Å²	141.7	86%	0.861	80%	0.798	S	S	*	*			trans	-141.7	123.6	135.6	-178.6	0	0	0	0	106.4
155	T	28.7	Very low	30	Very low	129 Å²	129	139.2 Å²	139.2	79%	0.791	79%	0.791	S	S	*	*			trans	-67.4	133	177.2	42.1	0	0	0	0	111.9
156	M	21.8	Very low	30	Very low	171 Å²	171	138.5 Å²	138.5	84%	0.842	79%	0.792	S	S	*	*			trans	-164.7	126.5	131.3	-114.9	-173.8	-58	0	0	113.6
157	E	23.6	Very low	30	Very low	178 Å²	178	137.8 Å²	137.8	83%	0.832	79%	0.792	S	S	*	*			trans	48.5	107	151.9	-68.1	-169.5	138.9	0	0	122.7	A159	E157-A159 PolarHBondContact O-N 3.41Å
158	R	34.9	Very low	30.2	Very low	258 Å²	258	141.7 Å²	141.7	97%	0.974	79%	0.786	S	S	*	*			trans	-79.2	93.7	159.7	-168.5	-178.6	-164.2	164.5	3.6	108.9
159	A	30.1	Very low	30.5	Very low	98 Å²	98	136.2 Å²	136.2	81%	0.81	77%	0.772	S	S	*	*			trans	-146.8	127.9	164.3	0	0	0	0	0	110.2	E157	E157-A159 PolarHBondContact O-N 3.41Å
160	G	33.7	Very low	30.9	Very low	67 Å²	67	133.4 Å²	133.4	69%	0.691	76%	0.759	S	S	*	*	S	Bend	trans	120.9	28.1	169	0	0	0	0	0	117.8
161	L	29.1	Very low	31.3	Very low	175 Å²	175	132.5 Å²	132.5	92%	0.916	75%	0.748	S	S	*	*	S	Bend	trans	-128.3	38	162.9	-100.2	163.6	0	0	0	111.8
162	A	30.8	Very low	31.2	Very low	83 Å²	83	133.8 Å²	133.8	69%	0.686	75%	0.748	S	S	*	*	S	Bend	trans	-115.9	5.9	167.7	0	0	0	0	0	113.2
163	E	33	Very low	31.5	Very low	169 Å²	169	134 Å²	134	79%	0.79	74%	0.735	S	S	*	*	S	Bend	trans	-113	13.1	-173.6	-73.6	-173.4	161.2	0	0	115.4
164	K	32.2	Very low	31.8	Very low	180 Å²	180	135.6 Å²	135.6	78%	0.783	73%	0.729	S	S	*	*	S	Bend	trans	-120.6	17	170.6	-68.1	-171.6	179.2	179.9	0	114.1
165	S	34.3	Very low	32.2	Very low	92 Å²	92	137.7 Å²	137.7	64%	0.643	73%	0.727	S	S	*	*	S	Bend	trans	-91	-12.4	170	82.8	0	0	0	0	113
166	T	35.4	Very low	32.2	Very low	101 Å²	101	134.5 Å²	134.5	62%	0.62	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-12.4	-178.2	21.9	0	0	0	0	114.9
167	E	33.3	Very low	32.5	Very low	167 Å²	167	135.6 Å²	135.6	78%	0.78	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-2.7	172.6	-102.3	-178.3	160.4	0	0	114
168	Y	33.3	Very low	32.7	Very low	150 Å²	150	130.7 Å²	130.7	59%	0.588	72%	0.722	S	S	*	*	S	Bend	trans	-103.3	-3.4	174.2	-93.8	-93.3	0	0	0	113.9	L171	Y168-L171 HydrophobicContact CD1-CD1 4.33Å; Y168-L171 HydrophobicContact CE1-CD1 4.33Å
169	A	33.9	Very low	32.9	Very low	53 Å²	53	124.1 Å²	124.1	44%	0.438	71%	0.713	S	S	.	*	S	Bend	trans	-78	-29.9	175.6	0	0	0	0	0	112.8	L171 L172	A169-L171 VanDerWaalsContact C-N 3.26Å; A169-L171 PolarHBondContact O-N 3.03Å; A169-L172 PolarHBondContact O-N 2.9Å
170	H	36.1	Very low	32.6	Very low	132 Å²	132	127.9 Å²	127.9	61%	0.611	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-8.8	179.2	-87.5	-59.2	0	0	0	115	L172 E173	H170-L172 VanDerWaalsContact C-N 3.33Å; H170-E173 IonicContact CE1-OE2 3.2Å; H170-E173 PolarHBondContact CE1-OE2 3.28Å; H170-E173 IonicContact CG-OE2 3.97Å; H170-E173 IonicContact ND1-OE2 2.86Å; H170-E173 PolarHBondContact ND1-OE2 2.77Å
171	L	34.8	Very low	32.2	Very low	115 Å²	115	132 Å²	132	60%	0.602	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-10.1	172.7	-76.8	172.3	0	0	0	113.3	Y168 A169	Y168-L171 HydrophobicContact CD1-CD1 4.33Å; Y168-L171 HydrophobicContact CE1-CD1 4.33Å; A169-L171 VanDerWaalsContact C-N 3.26Å; A169-L171 PolarHBondContact O-N 3.03Å
172	L	35.8	Very low	32.1	Very low	144 Å²	144	129.3 Å²	129.3	75%	0.754	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	-17.7	175.7	-77.9	161.6	0	0	0	113.2	A169 H170 V174	A169-L172 PolarHBondContact O-N 2.9Å; H170-L172 VanDerWaalsContact C-N 3.33Å; L172-V174 VanDerWaalsContact C-N 3.33Å; L172-V174 PolarHBondContact O-N 3.04Å
173	E	32.9	Very low	31.8	Very low	133 Å²	133	134.2 Å²	134.2	62%	0.621	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-78.2	-12.3	177.6	-74.3	-176	156.5	0	0	114.5	H170 F175	H170-E173 IonicContact CE1-OE2 3.2Å; H170-E173 PolarHBondContact CE1-OE2 3.28Å; H170-E173 IonicContact CG-OE2 3.97Å; H170-E173 IonicContact ND1-OE2 2.86Å; H170-E173 PolarHBondContact ND1-OE2 2.77Å; E173-F175 PolarHBondContact O-N 3.32Å
174	V	37.5	Very low	32	Very low	111 Å²	111	131.5 Å²	131.5	67%	0.673	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-76.2	-12	177.7	-178.1	0	0	0	0	112.5	L172	L172-V174 VanDerWaalsContact C-N 3.33Å; L172-V174 PolarHBondContact O-N 3.04Å
175	F	30.8	Very low	31.5	Very low	185 Å²	185	131.9 Å²	131.9	81%	0.811	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-124.7	48.8	179.4	-69.5	-76.3	0	0	0	112.5	E173 M177	E173-F175 PolarHBondContact O-N 3.32Å; F175-M177 PolarHBondContact O-N 2.88Å
176	G	28.5	Very low	31	Very low	62 Å²	62	131 Å²	131	64%	0.639	73%	0.728	S	S	*	*			trans	-45.2	130.8	-169.4	0	0	0	0	0	117.1
177	M	29.3	Very low	30.9	Very low	194 Å²	194	137.3 Å²	137.3	96%	0.956	74%	0.74	S	S	*	*			trans	-146.8	127.6	144	-72.6	-156.6	167	0	0	108.7	F175	F175-M177 PolarHBondContact O-N 2.88Å
178	G	27.3	Very low	30.5	Very low	76 Å²	76	138.8 Å²	138.8	78%	0.784	75%	0.746	S	S	*	*			trans	-84.9	-179.4	-173.7	0	0	0	0	0	115.5
179	P	38.1	Very low	30.4	Very low	119 Å²	119	136.5 Å²	136.5	77%	0.773	76%	0.759	S	S	*	*			trans	-105.9	141.8	-151.7	37	-28.8	0	0	0	113.9
180	H	24.5	Very low	30	Very low	177 Å²	177	137.6 Å²	137.6	82%	0.819	78%	0.776	S	S	*	*			trans	-147.5	128.4	155.2	-97.7	-72.2	0	0	0	112.7
181	L	25.7	Very low	29.6	Very low	153 Å²	153	141.2 Å²	141.2	80%	0.801	79%	0.789	S	S	*	*			trans	87.9	92.8	148.9	-60.6	167	0	0	0	119.7
182	T	26.6	Very low	29.3	Very low	120 Å²	120	147.1 Å²	147.1	74%	0.736	80%	0.804	S	S	*	*			trans	-34.6	132.9	140.9	50.9	0	0	0	0	115.5
183	Q	24.4	Very low	28.9	Very low	186 Å²	186	146.3 Å²	146.3	87%	0.869	81%	0.807	S	S	*	*				174.9	154.1	109.3	-96.5	-176	5.5	0	0	112.9
184	P	37.1	Very low	28.3	Very low	111 Å²	111	149.4 Å²	149.4	72%	0.721	81%	0.814	S	S	*	*			trans	-97.9	-179	-171.3	39.6	-32.5	0	0	0	113.1
185	M	22.8	Very low	27.7	Very low	189 Å²	189	153.2 Å²	153.2	93%	0.931	82%	0.824	S	S	*	*			trans	111.4	135.1	170.5	-57.3	-85.4	-110.5	0	0	112.1
186	G	23.6	Very low	27.4	Very low	73 Å²	73	153.9 Å²	153.9	75%	0.753	82%	0.821	S	S	*	*			cis	-168.6	175.2	11.9	0	0	0	0	0	112.5
187	R	33.3	Very low	27.2	Very low	234 Å²	234	161.1 Å²	161.1	88%	0.883	83%	0.83	S	S	*	*			trans	-75.1	130.3	-174.4	-157.5	-172.3	-62.5	-143.3	1.7	109.8
188	H	24.9	Very low	27.1	Very low	197 Å²	197	157 Å²	157	91%	0.912	81%	0.812	S	S	*	*			trans	-148.5	126.6	150.8	-94.3	-68	0	0	0	112.6
189	A	30.8	Very low	26.9	Very low	102 Å²	102	164.4 Å²	164.4	84%	0.843	82%	0.818	S	S	*	*			trans	-80.8	140.4	173.2	0	0	0	0	0	110.3
190	G	25.8	Very low	26.5	Very low	77 Å²	77	162.2 Å²	162.2	79%	0.794	82%	0.816	S	S	*	*			trans	-161.1	120.1	173.7	0	0	0	0	0	111
191	K	26.9	Very low	26.6	Very low	207 Å²	207	159.5 Å²	159.5	90%	0.9	81%	0.812	S	S	*	*			trans	-75.5	141.7	-175.1	-65.4	173.2	177.3	177.6	0	111.4
192	R	29.4	Very low	26.6	Very low	239 Å²	239	156.8 Å²	156.8	90%	0.902	81%	0.811	S	S	*	*			trans	1.3	143.6	148.8	-71.2	-176.3	177.3	-152.4	-0.4	117
193	P	26.5	Very low	26.7	Very low	127 Å²	127	158.6 Å²	158.6	83%	0.825	81%	0.809	S	S	*	*				-147.8	156.7	73.9	29.9	-6.9	0	0	0	117.6
194	Y	20.8	Very low	27.2	Very low	198 Å²	198	156 Å²	156	78%	0.776	80%	0.795	S	S	*	*			trans	-76.3	130.7	176.8	-158.6	-99.5	0	0	0	109.9	R196	Y194-R196 HydrophobicContact CE1-CB 4.18Å
195	H	25	Very low	26.8	Very low	191 Å²	191	153.2 Å²	153.2	88%	0.884	79%	0.787	S	S	*	*			trans	-131.9	131.3	156.3	-105.8	-77.3	0	0	0	109.5
196	R	23.6	Very low	27.3	Very low	199 Å²	199	154.9 Å²	154.9	75%	0.751	78%	0.783	S	S	*	*			trans	-100.5	152.6	-171.5	-173.7	-174.3	-153.7	-148.9	4	110.7	Y194	Y194-R196 HydrophobicContact CE1-CB 4.18Å
197	R	23.9	Very low	28.1	Very low	215 Å²	215	157 Å²	157	81%	0.811	78%	0.784	S	S	*	*			trans	112.7	134.3	162.4	-70.8	-169.8	169.3	164.3	-1	112.4
198	D	28.1	Very low	28.4	Very low	108 Å²	108	154.6 Å²	154.6	58%	0.578	78%	0.782	S	S	*	*			cis	-158.3	-175.5	-8.2	-97.1	-33.6	0	0	0	105.2
199	Y	23.2	Very low	29.1	Very low	231 Å²	231	150.7 Å²	150.7	91%	0.906	77%	0.767	S	S	*	*			trans	101	97.4	177.9	-46.9	-59.5	0	0	0	113.3
200	G	30.4	Very low	29.5	Very low	72 Å²	72	147.1 Å²	147.1	74%	0.742	74%	0.735	S	S	*	*			trans	-68.6	169	-178.6	0	0	0	0	0	113.9
201	V	26.3	Very low	30.2	Very low	120 Å²	120	150.1 Å²	150.1	73%	0.727	73%	0.728	S	S	*	*				-161.2	124.5	115.4	163.2	0	0	0	0	106.3
202	A	24.8	Very low	30.7	Very low	96 Å²	96	146.1 Å²	146.1	79%	0.793	71%	0.713	S	S	*	*			trans	-63.9	139.7	170.8	0	0	0	0	0	110.6
203	F	29.8	Very low	31.3	Very low	159 Å²	159	137.9 Å²	137.9	70%	0.697	69%	0.688	S	S	*	*			trans	-124.8	119.1	163.4	-121.2	-84.9	0	0	0	107.5
204	K	33.3	Very low	32.2	Very low	131 Å²	131	133 Å²	133	57%	0.57	66%	0.657	S	S	*	*			trans	-172.5	135.8	146.7	-102.5	159.5	-156.2	-179.1	0	110.8	D61	D61-K204 HydrophobicContact CB-CD 4.11Å; D61-K204 VanDerWaalsContact CB-NZ 3.32Å; D61-K204 IonicContact OD1-NZ 2.81Å; D61-K204 PolarHBondContact OD1-NZ 2.97Å; D61-K204 IonicContact OD2-NZ 3.66Å; D61-K204 PolarHBondContact OD2-NZ 2.82Å
205	G	29.4	Very low	33.1	Very low	53 Å²	53	130.8 Å²	130.8	55%	0.546	66%	0.656	S	S	.	*			trans	167.8	103.9	166.3	0	0	0	0	0	116.6
206	R	33.4	Very low	33.9	Very low	223 Å²	223	130.2 Å²	130.2	84%	0.842	65%	0.647	S	S	*	*			trans	-55.5	163.9	176.6	-93.6	179.5	167.8	-167.3	0.8	116.1	H208 L209 T210	R206-H208 PolarHBondContact O-N 3.21Å; R206-H208 VanDerWaalsContact O-N 3.09Å; R206-L209 PolarHBondContact O-N 3.15Å; R206-T210 PolarHBondContact O-OG1 3.14Å
207	P	41.1	Very low	35.1	Very low	119 Å²	119	126.4 Å²	126.4	77%	0.773	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	1.4	-150.4	-14.1	29.8	0	0	0	118.7	T210	P207-T210 VanDerWaalsContact CA-OG1 3.25Å; P207-T210 WeakPolarHBondContact CA-OG1 3.47Å
208	H	38.9	Very low	36.3	Very low	182 Å²	182	119.9 Å²	119.9	84%	0.843	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	-14.1	176.4	-157.5	-84.8	0	0	0	112.7	R206	R206-H208 PolarHBondContact O-N 3.21Å; R206-H208 VanDerWaalsContact O-N 3.09Å
209	L	39.6	Very low	37.7	Very low	115 Å²	115	121.7 Å²	121.7	60%	0.602	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-15.4	168.1	-154.9	73.6	0	0	0	111	R206 Q211 H212 V213	R206-L209 PolarHBondContact O-N 3.15Å; L209-Q211 VanDerWaalsContact C-N 3.3Å; L209-Q211 PolarHBondContact O-N 3.47Å; L209-H212 PolarHBondContact O-N 3Å; L209-H212 VanDerWaalsContact O-N 3.17Å; L209-V213 HydrophobicContact CD2-CG2 3.98Å; L209-V213 HydrophobicContact CG-CG2 3.83Å; L209-V213 VanDerWaalsContact O-CG2 3.28Å; L209-V213 WeakPolarHBondContact O-CG2 3.4Å; L209-V213 PolarHBondContact O-N 3.15Å
210	T	40.2	Very low	39.1	Very low	28 Å²	28	120.1 Å²	120.1	17%	0.172	64%	0.638	C	S	.	*	H	α-helix	trans	-75.3	-16.2	-171	-20.1	0	0	0	0	114.4	R206 P207 S214 M221 T232	R206-T210 PolarHBondContact O-OG1 3.14Å; P207-T210 VanDerWaalsContact CA-OG1 3.25Å; P207-T210 WeakPolarHBondContact CA-OG1 3.47Å; T210-S214 VanDerWaalsContact O-CB 3.27Å; T210-S214 WeakPolarHBondContact O-CB 3.5Å; T210-S214 PolarHBondContact O-N 2.89Å; T210-S214 PolarHBondContact O-OG 2.66Å; T210-S214 VanDerWaalsContact O-OG 3.1Å; T210-M221 HydrophobicContact CG2-CE 4.15Å; T210-T232 HydrophobicContact CG2-CG2 3.3Å
211	Q	39.1	Very low	40.7	Very low	140 Å²	140	118.4 Å²	118.4	65%	0.654	61%	0.611	S	S	*	*	H	α-helix	trans	-76.4	-29.4	171.5	-168.4	171.5	11.6	0	0	111.8	L209 S214	L209-Q211 VanDerWaalsContact C-N 3.3Å; L209-Q211 PolarHBondContact O-N 3.47Å; Q211-S214 PolarHBondContact O-OG 3.26Å
212	H	38.3	Very low	42.8	Very low	123 Å²	123	116.3 Å²	116.3	57%	0.569	59%	0.593	S	S	*	*	H	α-helix	trans	-90.2	-34.5	177.9	-155	-97.3	0	0	0	111.7	L209 Y216	L209-H212 PolarHBondContact O-N 3Å; L209-H212 VanDerWaalsContact O-N 3.17Å; H212-Y216 AromaticContact CE1-CE2 3.94Å; H212-Y216 WeakPolarHBondContact O-CD2 3.48Å
213	V	42.3	Very low	44.8	Very low	65 Å²	65	117.1 Å²	117.1	39%	0.394	58%	0.581	S	S	.	*	H	α-helix	trans	-74.3	-25.5	179	177.6	0	0	0	0	112.6	L209 M215 Y216 D217	L209-V213 HydrophobicContact CD2-CG2 3.98Å; L209-V213 HydrophobicContact CG-CG2 3.83Å; L209-V213 VanDerWaalsContact O-CG2 3.28Å; L209-V213 WeakPolarHBondContact O-CG2 3.4Å; L209-V213 PolarHBondContact O-N 3.15Å; V213-M215 VanDerWaalsContact C-N 3.28Å; V213-M215 PolarHBondContact O-N 3.49Å; V213-Y216 PolarHBondContact O-N 2.76Å; V213-D217 PolarHBondContact O-N 3.19Å
214	S	44.8	Very low	47	Very low	25 Å²	25	109.8 Å²	109.8	18%	0.175	55%	0.549	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-17.3	178.2	64.3	0	0	0	0	114.5	T210 Q211 Y216 M221	T210-S214 VanDerWaalsContact O-CB 3.27Å; T210-S214 WeakPolarHBondContact O-CB 3.5Å; T210-S214 PolarHBondContact O-N 2.89Å; T210-S214 PolarHBondContact O-OG 2.66Å; T210-S214 VanDerWaalsContact O-OG 3.1Å; Q211-S214 PolarHBondContact O-OG 3.26Å; S214-Y216 VanDerWaalsContact C-N 3.32Å; S214-M221 VanDerWaalsContact CB-CG 3.44Å; S214-M221 WeakPolarHBondContact CB-SD 3.4Å; S214-M221 PolarHBondContact OG-SD 3.34Å
215	M	39.2	Very low	48.8	Very low	151 Å²	151	112 Å²	112	74%	0.744	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-22.9	173.3	-69.5	-177.2	66.9	0	0	112.4	V213	V213-M215 VanDerWaalsContact C-N 3.28Å; V213-M215 PolarHBondContact O-N 3.49Å
216	Y	43.3	Very low	50.8	Low	180 Å²	180	116 Å²	116	71%	0.706	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	-15.5	-173.8	-71.2	-82	0	0	0	114.7	H212 V213 S214	H212-Y216 AromaticContact CE1-CE2 3.94Å; H212-Y216 WeakPolarHBondContact O-CD2 3.48Å; V213-Y216 PolarHBondContact O-N 2.76Å; S214-Y216 VanDerWaalsContact C-N 3.32Å
217	D	47.7	Very low	52.8	Low	119 Å²	119	107.6 Å²	107.6	64%	0.636	54%	0.541	S	S	*	.	S	Bend	trans	-113.5	13.3	-173.6	-99.9	-10.3	0	0	0	115.4	V213 R219	V213-D217 PolarHBondContact O-N 3.19Å; D217-R219 PolarHBondContact O-N 3.49Å
218	G	48.3	Very low	54.2	Low	78 Å²	78	109.7 Å²	109.7	80%	0.804	54%	0.54	S	S	*	.			trans	62.7	6.5	172.7	0	0	0	0	0	116.1	K220	G218-K220 PolarHBondContact O-N 3.32Å
219	R	57.6	Low	55.5	Low	146 Å²	146	106.9 Å²	106.9	55%	0.551	53%	0.525	S	S	*	.			trans	-79.1	113.7	174.2	-71.5	-168	-161.3	-142.6	6.7	110.1	D217 M221	D217-R219 PolarHBondContact O-N 3.49Å; R219-M221 PolarHBondContact O-N 3.18Å
220	K	53.7	Low	56.8	Low	197 Å²	197	103 Å²	103	86%	0.857	51%	0.51	S	S	*	.			trans	-58.9	109.6	174.8	-163.8	170.8	-175	174.4	0	110.3	G218	G218-K220 PolarHBondContact O-N 3.32Å
221	M	64	Low	58.4	Low	36 Å²	36	103.5 Å²	103.5	18%	0.177	51%	0.509	C	S	.	.			trans	-71	148.1	173.2	-66	-138	107.3	0	0	110.7	T210 S214 R219 A230 T232	T210-M221 HydrophobicContact CG2-CE 4.15Å; S214-M221 VanDerWaalsContact CB-CG 3.44Å; S214-M221 WeakPolarHBondContact CB-SD 3.4Å; S214-M221 PolarHBondContact OG-SD 3.34Å; R219-M221 PolarHBondContact O-N 3.18Å; M221-A230 HydrophobicContact CB-CB 4.15Å; M221-A230 HydrophobicContact CG-CB 4.48Å; M221-A230 HydrophobicContact SD-CB 3.58Å; M221-A230 VanDerWaalsContact SD-CB 3.58Å; M221-T232 HydrophobicContact CE-CG2 3.51Å
222	H	70.7	Confident	59.8	Low	76 Å²	76	100.9 Å²	100.9	35%	0.352	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	106	173.7	-65.3	-77.2	0	0	0	108.7	F231 S234 L237	H222-F231 PolarHBondContact N-O 3.34Å; H222-F231 WeakPolarHBondContact O-CB 3.28Å; H222-F231 PolarHBondContact O-N 3.47Å; H222-S234 PolarHBondContact CD2-N 3.01Å; H222-L237 HydrophobicContact CB-CB 3.91Å; H222-L237 HydrophobicContact CB-CD2 3.63Å; H222-L237 HydrophobicContact CB-CG 4.35Å
223	E	66.7	Low	61.5	Low	114 Å²	114	98.3 Å²	98.3	53%	0.533	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	140.8	-176.7	-68.3	-178.2	179	0	0	112.6	H225 A230	E223-H225 PolarHBondContact O-N 3.13Å; E223-A230 HydrophobicContact CG-CB 4.05Å
224	C	75.8	Confident	63	Low	4 Å²	4	98.3 Å²	98.3	3%	0.027	50%	0.499	C	S	.	.			trans	-83.9	110.6	171.7	-175.2	0	0	0	0	110.3	Q226 C227 Q228 K229 F231 L237 H244	C224-Q226 PolarHBondContact O-N 3.47Å; C224-C227 PolarHBondContact O-N 3.38Å; C224-Q228 VanDerWaalsContact O-CA 3.24Å; C224-Q228 WeakPolarHBondContact O-CA 3.37Å; C224-Q228 PolarHBondContact O-N 2.97Å; C224-K229 PolarHBondContact N-O 2.81Å; C224-F231 HydrophobicContact CB-CE2 4.31Å; C224-L237 HydrophobicContact CB-CD1 3.54Å; C224-H244 VanDerWaalsContact SG-CD2 3.6Å; C224-H244 PolarHBondContact SG-NE2 3.24Å
225	H	71.4	Confident	64.4	Low	179 Å²	179	100.5 Å²	100.5	83%	0.829	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-22	178.4	-62	-57.6	0	0	0	114.7	E223	E223-H225 PolarHBondContact O-N 3.13Å
226	Q	70.9	Confident	66	Low	135 Å²	135	94 Å²	94	63%	0.631	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-22.4	-179.1	-73.9	174	-13.3	0	0	114.4	C224 H244	C224-Q226 PolarHBondContact O-N 3.47Å; Q226-H244 PolarHBondContact OE1-CD2 3.04Å
227	C	74.6	Confident	67.6	Low	48 Å²	48	86.6 Å²	86.6	32%	0.324	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.9	12.9	179.6	77.5	0	0	0	0	114.5	C224 K229 H240 H244	C224-C227 PolarHBondContact O-N 3.38Å; C227-K229 PolarHBondContact O-N 3.5Å; C227-H240 PolarHBondContact SG-NE2 3.1Å; C227-H244 PolarHBondContact SG-NE2 3.19Å
228	Q	71.3	Confident	69	Low	163 Å²	163	84.1 Å²	84.1	76%	0.762	45%	0.45	S	S	*	.			trans	51.8	25.2	176.2	-60.5	174.7	1.8	0	0	114.4	C224	C224-Q228 VanDerWaalsContact O-CA 3.24Å; C224-Q228 WeakPolarHBondContact O-CA 3.37Å; C224-Q228 PolarHBondContact O-N 2.97Å
229	K	66.3	Low	70.2	Confident	123 Å²	123	85.8 Å²	85.8	54%	0.535	43%	0.432	S	S	.	.			trans	-82	126.9	174.7	-75.3	-177.2	-178.5	-179	0	109.4	C224 C227 F231	C224-K229 PolarHBondContact N-O 2.81Å; C227-K229 PolarHBondContact O-N 3.5Å; K229-F231 HydrophobicContact CB-CE2 3.65Å; K229-F231 HydrophobicContact CB-CZ 3.89Å; K229-F231 VanDerWaalsContact O-CD2 3.31Å; K229-F231 WeakPolarHBondContact O-CD2 3.42Å; K229-F231 VanDerWaalsContact O-CE2 3.27Å; K229-F231 WeakPolarHBondContact O-CE2 3.4Å
230	A	66.5	Low	71.2	Confident	33 Å²	33	79.7 Å²	79.7	27%	0.273	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	135.4	178.5	0	0	0	0	0	110.8	M221 E223	M221-A230 HydrophobicContact CB-CB 4.15Å; M221-A230 HydrophobicContact CG-CB 4.48Å; M221-A230 HydrophobicContact SD-CB 3.58Å; M221-A230 VanDerWaalsContact SD-CB 3.58Å; E223-A230 HydrophobicContact CG-CB 4.05Å
231	F	74.3	Confident	72.2	Confident	38 Å²	38	76.7 Å²	76.7	17%	0.167	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142.7	-179	-65.7	-87	0	0	0	110.6	H222 C224 K229 T233 S236 L237 H240	H222-F231 PolarHBondContact N-O 3.34Å; H222-F231 WeakPolarHBondContact O-CB 3.28Å; H222-F231 PolarHBondContact O-N 3.47Å; C224-F231 HydrophobicContact CB-CE2 4.31Å; K229-F231 HydrophobicContact CB-CE2 3.65Å; K229-F231 HydrophobicContact CB-CZ 3.89Å; K229-F231 VanDerWaalsContact O-CD2 3.31Å; K229-F231 WeakPolarHBondContact O-CD2 3.42Å; K229-F231 VanDerWaalsContact O-CE2 3.27Å; K229-F231 WeakPolarHBondContact O-CE2 3.4Å; F231-T233 PolarHBondContact O-N 2.8Å; F231-S236 WeakPolarHBondContact CB-OG 3.43Å; F231-L237 HydrophobicContact CB-CB 4.04Å; F231-L237 HydrophobicContact CD2-CB 3.9Å; F231-L237 HydrophobicContact CD2-CD1 3.57Å; F231-L237 HydrophobicContact CD2-CG 4.33Å; F231-L237 HydrophobicContact CE2-CD1 3.86Å; F231-L237 HydrophobicContact CG-CB 4.09Å; F231-H240 HydrophobicContact CE1-CB 3.74Å; F231-H240 AromaticContact CE1-CG 3.96Å; F231-H240 HydrophobicContact CE2-CB 3.78Å; F231-H240 AromaticContact CE2-CD2 3.39Å; F231-H240 WeakPolarHBondContact CE2-CD2 3.35Å; F231-H240 AromaticContact CE2-CG 3.51Å; F231-H240 HydrophobicContact CZ-CB 3.32Å; F231-H240 AromaticContact CZ-CD2 3.46Å; F231-H240 VanDerWaalsContact CZ-CD2 3.46Å; F231-H240 WeakPolarHBondContact CZ-CD2 3.41Å; F231-H240 AromaticContact CZ-CG 3.09Å; F231-H240 AromaticContact CZ-ND1 3.48Å; F231-H240 WeakPolarHBondContact CZ-ND1 3.42Å
232	T	67.4	Low	73	Confident	86 Å²	86	77.3 Å²	77.3	53%	0.528	39%	0.393	S	S	.	.	S	Bend	trans	-70.9	-20.9	178.8	51.2	0	0	0	0	113.3	T210 M221	T210-T232 HydrophobicContact CG2-CG2 3.3Å; M221-T232 HydrophobicContact CE-CG2 3.51Å
233	T	74	Confident	73	Confident	69 Å²	69	78.6 Å²	78.6	42%	0.423	40%	0.402	S	S	.	.	S	Bend	trans	-139.5	143.8	-177.6	59.2	0	0	0	0	111.1	F231 A235 S236 L237	F231-T233 PolarHBondContact O-N 2.8Å; T233-A235 PolarHBondContact O-N 3.27Å; T233-S236 PolarHBondContact O-N 3.49Å; T233-S236 VanDerWaalsContact O-N 3.11Å; T233-S236 PolarHBondContact O-OG 3.07Å; T233-S236 WeakPolarHBondContact OG1-CB 3.44Å; T233-S236 PolarHBondContact OG1-N 2.8Å; T233-S236 PolarHBondContact OG1-OG 2.98Å; T233-L237 PolarHBondContact O-N 3.41Å; T233-L237 VanDerWaalsContact O-N 3.12Å
234	S	74.4	Confident	73.4	Confident	65 Å²	65	76.8 Å²	76.8	46%	0.455	39%	0.393	S	S	.	.	H	α-helix	trans	-57.6	-36.7	175.2	58.9	0	0	0	0	111.9	H222 S236 L237 T238	H222-S234 PolarHBondContact CD2-N 3.01Å; S234-S236 VanDerWaalsContact C-N 3.34Å; S234-S236 PolarHBondContact O-N 2.84Å; S234-L237 PolarHBondContact O-N 3.18Å; S234-T238 WeakPolarHBondContact O-CB 3.27Å; S234-T238 PolarHBondContact O-N 3.29Å; S234-T238 PolarHBondContact O-OG1 3.21Å
235	A	74.1	Confident	73.1	Confident	70 Å²	70	79.8 Å²	79.8	58%	0.579	41%	0.411	S	S	*	.	H	α-helix	trans	-62.1	-37.4	176.3	0	0	0	0	0	113.2	T233 R239	T233-A235 PolarHBondContact O-N 3.27Å; A235-R239 WeakPolarHBondContact O-CB 3.5Å; A235-R239 PolarHBondContact O-N 2.84Å
236	S	74.2	Confident	73.1	Confident	16 Å²	16	73.5 Å²	73.5	11%	0.112	40%	0.395	C	S	.	.	H	α-helix	trans	-75.5	-34.3	176.6	59.3	0	0	0	0	112.3	F231 T233 S234 H240	F231-S236 WeakPolarHBondContact CB-OG 3.43Å; T233-S236 PolarHBondContact O-N 3.49Å; T233-S236 VanDerWaalsContact O-N 3.11Å; T233-S236 PolarHBondContact O-OG 3.07Å; T233-S236 WeakPolarHBondContact OG1-CB 3.44Å; T233-S236 PolarHBondContact OG1-N 2.8Å; T233-S236 PolarHBondContact OG1-OG 2.98Å; S234-S236 VanDerWaalsContact C-N 3.34Å; S234-S236 PolarHBondContact O-N 2.84Å; S236-H240 VanDerWaalsContact O-CB 3.26Å; S236-H240 WeakPolarHBondContact O-CB 3.33Å; S236-H240 PolarHBondContact O-N 3.26Å
237	L	76.9	Confident	73.1	Confident	23 Å²	23	72.1 Å²	72.1	12%	0.12	39%	0.389	C	S	.	.	H	α-helix	trans	-63.1	-47	168.1	175.8	63.9	0	0	0	111.3	H222 C224 F231 T233 S234 R239 H240 R241	H222-L237 HydrophobicContact CB-CB 3.91Å; H222-L237 HydrophobicContact CB-CD2 3.63Å; H222-L237 HydrophobicContact CB-CG 4.35Å; C224-L237 HydrophobicContact CB-CD1 3.54Å; F231-L237 HydrophobicContact CB-CB 4.04Å; F231-L237 HydrophobicContact CD2-CB 3.9Å; F231-L237 HydrophobicContact CD2-CD1 3.57Å; F231-L237 HydrophobicContact CD2-CG 4.33Å; F231-L237 HydrophobicContact CE2-CD1 3.86Å; F231-L237 HydrophobicContact CG-CB 4.09Å; T233-L237 PolarHBondContact O-N 3.41Å; T233-L237 VanDerWaalsContact O-N 3.12Å; S234-L237 PolarHBondContact O-N 3.18Å; L237-R239 VanDerWaalsContact C-N 3.34Å; L237-R239 PolarHBondContact O-N 3.09Å; L237-H240 CarbonylContact O-C 3.22Å; L237-H240 WeakPolarHBondContact O-CA 3.19Å; L237-H240 WeakPolarHBondContact O-CB 3.17Å; L237-H240 PolarHBondContact O-N 3.38Å; L237-R241 HydrophobicContact CD1-CG 4.23Å; L237-R241 HydrophobicContact CG-CG 4.39Å; L237-R241 WeakPolarHBondContact O-CG 3.4Å; L237-R241 PolarHBondContact O-N 2.83Å
238	T	75.1	Confident	73.3	Confident	67 Å²	67	75.8 Å²	75.8	41%	0.411	40%	0.399	S	S	.	.	H	α-helix	trans	-60.4	-43.6	178.7	-63.5	0	0	0	0	111.1	S234 H240 R241 R242	S234-T238 WeakPolarHBondContact O-CB 3.27Å; S234-T238 PolarHBondContact O-N 3.29Å; S234-T238 PolarHBondContact O-OG1 3.21Å; T238-H240 VanDerWaalsContact C-N 3.34Å; T238-H240 PolarHBondContact O-N 2.61Å; T238-R241 PolarHBondContact O-N 3.46Å; T238-R242 PolarHBondContact O-N 3.22Å
239	R	75.3	Confident	73.6	Confident	114 Å²	114	71.4 Å²	71.4	43%	0.43	39%	0.385	S	S	.	.	H	α-helix	trans	-63.2	-39.6	172.4	179.2	173.4	58.1	-165.6	-4.6	112.2	A235 L237 R242 D261	A235-R239 WeakPolarHBondContact O-CB 3.5Å; A235-R239 PolarHBondContact O-N 2.84Å; L237-R239 VanDerWaalsContact C-N 3.34Å; L237-R239 PolarHBondContact O-N 3.09Å; R239-R242 WeakPolarHBondContact O-CB 3.46Å; R239-R242 PolarHBondContact O-N 3.11Å; R239-D261 WeakPolarHBondContact CD-OD1 3.42Å; R239-D261 IonicContact CZ-OD1 2.58Å; R239-D261 IonicContact NE-OD1 3.79Å; R239-D261 IonicContact NH1-OD1 2.97Å; R239-D261 PolarHBondContact NH1-OD1 3.48Å
240	H	76.9	Confident	74.2	Confident	18 Å²	18	69.1 Å²	69.1	8%	0.083	37%	0.373	C	S	.	.	H	α-helix	trans	-66.3	-38.8	177.4	172.5	74.1	0	0	0	112.5	C227 F231 S236 L237 T238 R242 I243 H244	C227-H240 PolarHBondContact SG-NE2 3.1Å; F231-H240 HydrophobicContact CE1-CB 3.74Å; F231-H240 AromaticContact CE1-CG 3.96Å; F231-H240 HydrophobicContact CE2-CB 3.78Å; F231-H240 AromaticContact CE2-CD2 3.39Å; F231-H240 WeakPolarHBondContact CE2-CD2 3.35Å; F231-H240 AromaticContact CE2-CG 3.51Å; F231-H240 HydrophobicContact CZ-CB 3.32Å; F231-H240 AromaticContact CZ-CD2 3.46Å; F231-H240 VanDerWaalsContact CZ-CD2 3.46Å; F231-H240 WeakPolarHBondContact CZ-CD2 3.41Å; F231-H240 AromaticContact CZ-CG 3.09Å; F231-H240 AromaticContact CZ-ND1 3.48Å; F231-H240 WeakPolarHBondContact CZ-ND1 3.42Å; S236-H240 VanDerWaalsContact O-CB 3.26Å; S236-H240 WeakPolarHBondContact O-CB 3.33Å; S236-H240 PolarHBondContact O-N 3.26Å; L237-H240 CarbonylContact O-C 3.22Å; L237-H240 WeakPolarHBondContact O-CA 3.19Å; L237-H240 WeakPolarHBondContact O-CB 3.17Å; L237-H240 PolarHBondContact O-N 3.38Å; T238-H240 VanDerWaalsContact C-N 3.34Å; T238-H240 PolarHBondContact O-N 2.61Å; H240-R242 PolarHBondContact O-N 3.46Å; H240-I243 VanDerWaalsContact O-CB 3.22Å; H240-I243 WeakPolarHBondContact O-CB 3.24Å; H240-I243 WeakPolarHBondContact O-CG1 3.2Å; H240-I243 PolarHBondContact O-N 3.01Å; H240-H244 AromaticContact CE1-NE2 3.89Å; H240-H244 AromaticContact NE2-CD2 3.95Å; H240-H244 AromaticContact NE2-NE2 3.23Å; H240-H244 PolarHBondContact NE2-NE2 3.09Å
241	R	76.3	Confident	74.5	Confident	133 Å²	133	73.7 Å²	73.7	50%	0.502	39%	0.389	S	S	.	.	H	α-helix	trans	-58	-30.5	176.6	-75.3	-179.9	67.7	-137.1	-2.3	112.7	L237 T238 I243 H244 T245	L237-R241 HydrophobicContact CD1-CG 4.23Å; L237-R241 HydrophobicContact CG-CG 4.39Å; L237-R241 WeakPolarHBondContact O-CG 3.4Å; L237-R241 PolarHBondContact O-N 2.83Å; T238-R241 PolarHBondContact O-N 3.46Å; R241-I243 PolarHBondContact O-N 3.32Å; R241-I243 VanDerWaalsContact O-N 3.14Å; R241-H244 PolarHBondContact O-N 3.24Å; R241-T245 PolarHBondContact O-N 3.28Å; R241-T245 PolarHBondContact O-OG1 3.06Å
242	R	79.3	Confident	74.6	Confident	49 Å²	49	72 Å²	72	19%	0.185	38%	0.382	C	S	.	.	H	α-helix	trans	-61.1	-19.4	173.8	-61.7	177.2	-175.1	169.5	-1.7	113.8	T238 R239 H240 T245 G246 E247 Y250 N260	T238-R242 PolarHBondContact O-N 3.22Å; R239-R242 WeakPolarHBondContact O-CB 3.46Å; R239-R242 PolarHBondContact O-N 3.11Å; H240-R242 PolarHBondContact O-N 3.46Å; R242-T245 WeakPolarHBondContact CA-OG1 3.38Å; R242-G246 WeakPolarHBondContact O-CA 3.48Å; R242-G246 PolarHBondContact O-N 2.8Å; R242-E247 HydrophobicContact CB-CB 4.32Å; R242-E247 HydrophobicContact CG-CB 4.19Å; R242-E247 PolarHBondContact O-N 3.22Å; R242-Y250 PolarHBondContact NH1-OH 2.85Å; R242-N260 HydrophobicContact CB-CB 4.2Å; R242-N260 PolarHBondContact NH1-O 3.02Å
243	I	72.4	Confident	74.8	Confident	104 Å²	104	73.4 Å²	73.4	53%	0.533	40%	0.395	S	S	.	.	H	α-helix	trans	-70.6	-36.3	173.1	-58.6	175.1	0	0	0	110.6	H240 R241	H240-I243 VanDerWaalsContact O-CB 3.22Å; H240-I243 WeakPolarHBondContact O-CB 3.24Å; H240-I243 WeakPolarHBondContact O-CG1 3.2Å; H240-I243 PolarHBondContact O-N 3.01Å; R241-I243 PolarHBondContact O-N 3.32Å; R241-I243 VanDerWaalsContact O-N 3.14Å
244	H	73.8	Confident	74.5	Confident	75 Å²	75	75.1 Å²	75.1	35%	0.347	40%	0.402	S	S	.	.	H	α-helix	trans	-84.8	-38.7	-179.7	-58.1	-60.2	0	0	0	112.6	C224 Q226 C227 H240 R241 G246	C224-H244 VanDerWaalsContact SG-CD2 3.6Å; C224-H244 PolarHBondContact SG-NE2 3.24Å; Q226-H244 PolarHBondContact OE1-CD2 3.04Å; C227-H244 PolarHBondContact SG-NE2 3.19Å; H240-H244 AromaticContact CE1-NE2 3.89Å; H240-H244 AromaticContact NE2-CD2 3.95Å; H240-H244 AromaticContact NE2-NE2 3.23Å; H240-H244 PolarHBondContact NE2-NE2 3.09Å; R241-H244 PolarHBondContact O-N 3.24Å; H244-G246 VanDerWaalsContact C-N 3.27Å; H244-G246 PolarHBondContact O-N 3.01Å
245	T	70.9	Confident	74.3	Confident	67 Å²	67	74.6 Å²	74.6	41%	0.411	40%	0.398	S	S	.	.	H	α-helix	trans	-78.1	-14.4	176.8	62.7	0	0	0	0	112.8	R241 R242 E247	R241-T245 PolarHBondContact O-N 3.28Å; R241-T245 PolarHBondContact O-OG1 3.06Å; R242-T245 WeakPolarHBondContact CA-OG1 3.38Å; T245-E247 PolarHBondContact O-N 3.13Å; T245-E247 WeakPolarHBondContact OG1-CG 3.48Å; T245-E247 PolarHBondContact OG1-OE1 3.36Å
246	G	70.2	Confident	74.1	Confident	47 Å²	47	73.2 Å²	73.2	49%	0.485	39%	0.39	S	S	.	.			trans	71.8	3.8	-177.2	0	0	0	0	0	114.2	R242 H244 K248	R242-G246 WeakPolarHBondContact O-CA 3.48Å; R242-G246 PolarHBondContact O-N 2.8Å; H244-G246 VanDerWaalsContact C-N 3.27Å; H244-G246 PolarHBondContact O-N 3.01Å; G246-K248 PolarHBondContact O-N 2.72Å
247	E	71.6	Confident	73.8	Confident	106 Å²	106	78.5 Å²	78.5	50%	0.495	41%	0.411	S	S	.	.			trans	-58.3	129.1	178	-76.1	170.2	-152.1	0	0	111.1	R242 T245	R242-E247 HydrophobicContact CB-CB 4.32Å; R242-E247 HydrophobicContact CG-CB 4.19Å; R242-E247 PolarHBondContact O-N 3.22Å; T245-E247 PolarHBondContact O-N 3.13Å; T245-E247 WeakPolarHBondContact OG1-CG 3.48Å; T245-E247 PolarHBondContact OG1-OE1 3.36Å
248	K	78.1	Confident	73.9	Confident	126 Å²	126	79 Å²	79	55%	0.548	42%	0.419	S	S	.	.			trans	-128.3	76.5	178.1	-72.2	164.6	173.3	-176.2	0	109.5	G246 Y250 A258 F259	G246-K248 PolarHBondContact O-N 2.72Å; K248-Y250 PolarHBondContact O-N 3.37Å; K248-Y250 VanDerWaalsContact O-N 3.14Å; K248-A258 HydrophobicContact CB-CB 3.47Å; K248-A258 VanDerWaalsContact CB-CB 3.47Å; K248-A258 HydrophobicContact CD-CB 4.21Å; K248-A258 WeakPolarHBondContact CD-O 3.47Å; K248-A258 HydrophobicContact CG-CB 4.44Å; K248-A258 WeakPolarHBondContact O-CB 3.44Å; K248-F259 CarbonylContact C-O 3.51Å; K248-F259 VanDerWaalsContact CA-O 3.25Å; K248-F259 WeakPolarHBondContact CA-O 3.39Å
249	P	78.6	Confident	74.1	Confident	71 Å²	71	77.9 Å²	77.9	46%	0.461	41%	0.408	S	S	.	.			trans	-69.1	-12.8	-171.7	-21.5	35.4	0	0	0	114.4
250	Y	77.1	Confident	74.1	Confident	74 Å²	74	75 Å²	75	29%	0.29	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	96.3	-173.6	-52.8	-69.9	0	0	0	110.3	R242 K248 A258 F259 P262	R242-Y250 PolarHBondContact NH1-OH 2.85Å; K248-Y250 PolarHBondContact O-N 3.37Å; K248-Y250 VanDerWaalsContact O-N 3.14Å; Y250-A258 CarbonylContact O-C 3.51Å; Y250-A258 WeakPolarHBondContact O-CA 3.37Å; Y250-F259 WeakPolarHBondContact CD2-O 3.44Å; Y250-F259 PolarHBondContact N-O 3.16Å; Y250-F259 VanDerWaalsContact N-O 3.11Å; Y250-F259 PolarHBondContact O-N 3.25Å; Y250-P262 HydrophobicContact CD1-CG 4.17Å; Y250-P262 HydrophobicContact CD2-CG 4.14Å; Y250-P262 HydrophobicContact CE1-CG 3.73Å; Y250-P262 HydrophobicContact CE2-CG 3.67Å; Y250-P262 HydrophobicContact CG-CG 4.36Å; Y250-P262 VanDerWaalsContact CZ-CG 3.46Å
251	E	74.7	Confident	74.1	Confident	129 Å²	129	75.2 Å²	75.2	60%	0.603	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	140.2	178.5	-167.4	171.6	172.2	0	0	112	G256	E251-G256 WeakPolarHBondContact OE1-CA 3.2Å
252	C	76.3	Confident	73.8	Confident	4 Å²	4	71.5 Å²	71.5	3%	0.027	40%	0.396	C	S	.	.			trans	-82.9	116.8	172.9	-179.3	0	0	0	0	110.2	D254 C255 G256 K257 F259 L265 H272	C252-D254 PolarHBondContact O-N 2.98Å; C252-D254 VanDerWaalsContact O-N 3.15Å; C252-C255 PolarHBondContact O-N 3.01Å; C252-G256 WeakPolarHBondContact O-CA 3.21Å; C252-G256 PolarHBondContact O-N 3.39Å; C252-K257 WeakPolarHBondContact CB-O 3.38Å; C252-K257 PolarHBondContact N-O 3.24Å; C252-F259 HydrophobicContact CB-CE2 4.42Å; C252-L265 HydrophobicContact CB-CD1 3.58Å; C252-H272 VanDerWaalsContact SG-CD2 3.53Å; C252-H272 PolarHBondContact SG-NE2 2.98Å
253	S	70.6	Confident	73.3	Confident	115 Å²	115	72.8 Å²	72.8	80%	0.804	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-36.7	175.7	50.7	0	0	0	0	113.7
254	D	67.2	Low	73.2	Confident	104 Å²	104	69.5 Å²	69.5	56%	0.556	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-17.4	-169.7	-49.3	-23.1	0	0	0	113.6	C252 H272	C252-D254 PolarHBondContact O-N 2.98Å; C252-D254 VanDerWaalsContact O-N 3.15Å; D254-H272 IonicContact OD2-CD2 3.34Å; D254-H272 PolarHBondContact OD2-CD2 2.97Å; D254-H272 VanDerWaalsContact OD2-CD2 3.28Å; D254-H272 IonicContact OD2-CG 3.36Å
255	C	70	Confident	73.2	Confident	54 Å²	54	67.7 Å²	67.7	37%	0.365	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.3	7.7	-176.3	72.4	0	0	0	0	115.8	C252 K257 H268 H272	C252-C255 PolarHBondContact O-N 3.01Å; C255-K257 PolarHBondContact O-N 2.99Å; C255-K257 VanDerWaalsContact O-N 3.09Å; C255-H268 PolarHBondContact SG-NE2 2.59Å; C255-H272 PolarHBondContact SG-CE1 2.83Å; C255-H272 PolarHBondContact SG-NE2 2.84Å; C255-H272 VanDerWaalsContact SG-NE2 3.36Å
256	G	69.9	Low	73.1	Confident	41 Å²	41	72.6 Å²	72.6	42%	0.423	41%	0.405	S	S	.	.			trans	64.4	11.3	178.5	0	0	0	0	0	114.9	E251 C252 A258	E251-G256 WeakPolarHBondContact OE1-CA 3.2Å; C252-G256 WeakPolarHBondContact O-CA 3.21Å; C252-G256 PolarHBondContact O-N 3.39Å; G256-A258 PolarHBondContact O-N 3.31Å
257	K	69.7	Low	72.8	Confident	127 Å²	127	72.6 Å²	72.6	55%	0.552	40%	0.398	S	S	*	.			trans	-78	122.8	179.1	-76.7	-178.7	-179.2	171	0	110.3	C252 C255 F259	C252-K257 WeakPolarHBondContact CB-O 3.38Å; C252-K257 PolarHBondContact N-O 3.24Å; C255-K257 PolarHBondContact O-N 2.99Å; C255-K257 VanDerWaalsContact O-N 3.09Å; K257-F259 HydrophobicContact CB-CE2 3.81Å; K257-F259 HydrophobicContact CB-CZ 4.01Å; K257-F259 WeakPolarHBondContact O-CD2 3.4Å; K257-F259 WeakPolarHBondContact O-CE2 3.42Å
258	A	78.4	Confident	72.8	Confident	34 Å²	34	68.7 Å²	68.7	28%	0.281	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	140.2	179.6	0	0	0	0	0	112.8	K248 Y250 G256	K248-A258 HydrophobicContact CB-CB 3.47Å; K248-A258 VanDerWaalsContact CB-CB 3.47Å; K248-A258 HydrophobicContact CD-CB 4.21Å; K248-A258 WeakPolarHBondContact CD-O 3.47Å; K248-A258 HydrophobicContact CG-CB 4.44Å; K248-A258 WeakPolarHBondContact O-CB 3.44Å; Y250-A258 CarbonylContact O-C 3.51Å; Y250-A258 WeakPolarHBondContact O-CA 3.37Å; G256-A258 PolarHBondContact O-N 3.31Å
259	F	78.5	Confident	72.3	Confident	43 Å²	43	64.3 Å²	64.3	19%	0.189	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	153.3	-178.5	-59.7	-90	0	0	0	111	K248 Y250 C252 K257 A264 L265 H268	K248-F259 CarbonylContact C-O 3.51Å; K248-F259 VanDerWaalsContact CA-O 3.25Å; K248-F259 WeakPolarHBondContact CA-O 3.39Å; Y250-F259 WeakPolarHBondContact CD2-O 3.44Å; Y250-F259 PolarHBondContact N-O 3.16Å; Y250-F259 VanDerWaalsContact N-O 3.11Å; Y250-F259 PolarHBondContact O-N 3.25Å; C252-F259 HydrophobicContact CB-CE2 4.42Å; K257-F259 HydrophobicContact CB-CE2 3.81Å; K257-F259 HydrophobicContact CB-CZ 4.01Å; K257-F259 WeakPolarHBondContact O-CD2 3.4Å; K257-F259 WeakPolarHBondContact O-CE2 3.42Å; F259-A264 HydrophobicContact CB-CB 4.35Å; F259-A264 HydrophobicContact CD1-CB 4.05Å; F259-A264 HydrophobicContact CG-CB 4.47Å; F259-L265 HydrophobicContact CB-CB 4.24Å; F259-L265 HydrophobicContact CD2-CB 3.94Å; F259-L265 HydrophobicContact CD2-CD1 3.68Å; F259-L265 HydrophobicContact CD2-CG 4.41Å; F259-L265 HydrophobicContact CE2-CD1 3.93Å; F259-L265 HydrophobicContact CG-CB 4.24Å; F259-H268 HydrophobicContact CE1-CB 3.85Å; F259-H268 HydrophobicContact CE2-CB 3.78Å; F259-H268 AromaticContact CE2-CD2 3.21Å; F259-H268 WeakPolarHBondContact CE2-CD2 3.4Å; F259-H268 AromaticContact CE2-CG 3.5Å; F259-H268 VanDerWaalsContact CE2-CG 3.5Å; F259-H268 AromaticContact CE2-NE2 3.96Å; F259-H268 HydrophobicContact CZ-CB 3.36Å; F259-H268 AromaticContact CZ-CD2 3.31Å; F259-H268 WeakPolarHBondContact CZ-CD2 3.3Å; F259-H268 AromaticContact CZ-CG 3.09Å; F259-H268 AromaticContact CZ-ND1 3.65Å; F259-H268 AromaticContact CZ-NE2 3.92Å
260	N	74.9	Confident	71.7	Confident	53 Å²	53	65.6 Å²	65.6	28%	0.283	36%	0.362	S	S	.	.	S	Bend	trans	-87.7	-12.7	178.8	59.7	4.6	0	0	0	113.5	R242	R242-N260 HydrophobicContact CB-CB 4.2Å; R242-N260 PolarHBondContact NH1-O 3.02Å
261	D	77.1	Confident	71	Confident	24 Å²	24	64.5 Å²	64.5	13%	0.128	36%	0.363	C	S	.	.	S	Bend	trans	-136.3	138.2	-178.4	-177.9	68.7	0	0	0	112	R239 S263 A264 L265	R239-D261 WeakPolarHBondContact CD-OD1 3.42Å; R239-D261 IonicContact CZ-OD1 2.58Å; R239-D261 IonicContact NE-OD1 3.79Å; R239-D261 IonicContact NH1-OD1 2.97Å; R239-D261 PolarHBondContact NH1-OD1 3.48Å; D261-S263 VanDerWaalsContact C-N 3.3Å; D261-S263 PolarHBondContact O-N 3.38Å; D261-S263 WeakPolarHBondContact OD2-CA 3.14Å; D261-S263 WeakPolarHBondContact OD2-CB 3.21Å; D261-S263 PolarHBondContact OD2-N 3.48Å; D261-S263 PolarHBondContact OD2-OG 3.04Å; D261-S263 VanDerWaalsContact OD2-OG 3.08Å; D261-A264 HydrophobicContact CB-CB 4.25Å; D261-A264 WeakPolarHBondContact O-CB 3.49Å; D261-A264 PolarHBondContact O-N 3.46Å; D261-A264 PolarHBondContact OD2-N 3.45Å; D261-L265 PolarHBondContact O-N 3.1Å; D261-L265 VanDerWaalsContact O-N 3.14Å
262	P	69.9	Low	70.4	Confident	54 Å²	54	61.7 Å²	61.7	35%	0.351	35%	0.35	S	S	.	.	H	α-helix	trans	-62.7	-31.3	178.8	-22.7	33.6	0	0	0	114.1	Y250 A264 L265 R266	Y250-P262 HydrophobicContact CD1-CG 4.17Å; Y250-P262 HydrophobicContact CD2-CG 4.14Å; Y250-P262 HydrophobicContact CE1-CG 3.73Å; Y250-P262 HydrophobicContact CE2-CG 3.67Å; Y250-P262 HydrophobicContact CG-CG 4.36Å; Y250-P262 VanDerWaalsContact CZ-CG 3.46Å; P262-A264 VanDerWaalsContact C-N 3.33Å; P262-L265 PolarHBondContact O-N 2.76Å; P262-R266 WeakPolarHBondContact O-CB 3.34Å; P262-R266 PolarHBondContact O-N 3.37Å
263	S	70.3	Confident	69.7	Low	76 Å²	76	66.5 Å²	66.5	53%	0.531	38%	0.375	S	S	.	.	H	α-helix	trans	-70.8	-34.3	178.9	-40.4	0	0	0	0	111	D261 R266 S267	D261-S263 VanDerWaalsContact C-N 3.3Å; D261-S263 PolarHBondContact O-N 3.38Å; D261-S263 WeakPolarHBondContact OD2-CA 3.14Å; D261-S263 WeakPolarHBondContact OD2-CB 3.21Å; D261-S263 PolarHBondContact OD2-N 3.48Å; D261-S263 PolarHBondContact OD2-OG 3.04Å; D261-S263 VanDerWaalsContact OD2-OG 3.08Å; S263-R266 PolarHBondContact O-N 3.1Å; S263-S267 WeakPolarHBondContact O-CB 3.36Å; S263-S267 PolarHBondContact O-N 3.18Å
264	A	68.8	Low	68.9	Low	36 Å²	36	70.8 Å²	70.8	30%	0.298	38%	0.379	S	S	.	.	H	α-helix	trans	-66.8	-43.2	173.2	0	0	0	0	0	111.4	F259 D261 P262 S267 H268	F259-A264 HydrophobicContact CB-CB 4.35Å; F259-A264 HydrophobicContact CD1-CB 4.05Å; F259-A264 HydrophobicContact CG-CB 4.47Å; D261-A264 HydrophobicContact CB-CB 4.25Å; D261-A264 WeakPolarHBondContact O-CB 3.49Å; D261-A264 PolarHBondContact O-N 3.46Å; D261-A264 PolarHBondContact OD2-N 3.45Å; P262-A264 VanDerWaalsContact C-N 3.33Å; A264-S267 PolarHBondContact O-N 3.41Å; A264-H268 VanDerWaalsContact O-CB 3.29Å; A264-H268 WeakPolarHBondContact O-CB 3.47Å; A264-H268 PolarHBondContact O-N 3.12Å
265	L	74.3	Confident	68.4	Low	37 Å²	37	71.7 Å²	71.7	19%	0.194	38%	0.38	C	S	.	.	H	α-helix	trans	-60.7	-46.3	172	174.4	61.8	0	0	0	111	C252 F259 D261 P262 S267 H268 A269	C252-L265 HydrophobicContact CB-CD1 3.58Å; F259-L265 HydrophobicContact CB-CB 4.24Å; F259-L265 HydrophobicContact CD2-CB 3.94Å; F259-L265 HydrophobicContact CD2-CD1 3.68Å; F259-L265 HydrophobicContact CD2-CG 4.41Å; F259-L265 HydrophobicContact CE2-CD1 3.93Å; F259-L265 HydrophobicContact CG-CB 4.24Å; D261-L265 PolarHBondContact O-N 3.1Å; D261-L265 VanDerWaalsContact O-N 3.14Å; P262-L265 PolarHBondContact O-N 2.76Å; L265-S267 PolarHBondContact O-N 3.49Å; L265-H268 CarbonylContact O-C 3.37Å; L265-H268 WeakPolarHBondContact O-CA 3.41Å; L265-H268 WeakPolarHBondContact O-CB 3.33Å; L265-H268 PolarHBondContact O-N 3.14Å; L265-A269 PolarHBondContact O-N 2.88Å
266	R	68.3	Low	68.1	Low	169 Å²	169	73.8 Å²	73.8	64%	0.638	38%	0.383	S	S	*	.	H	α-helix	trans	-60.6	-43.3	177.6	-170.3	-176.3	-61.2	178.2	0.3	112.3	P262 S263 H268 A269 R270	P262-R266 WeakPolarHBondContact O-CB 3.34Å; P262-R266 PolarHBondContact O-N 3.37Å; S263-R266 PolarHBondContact O-N 3.1Å; R266-H268 VanDerWaalsContact C-N 3.25Å; R266-H268 PolarHBondContact O-N 3.47Å; R266-A269 PolarHBondContact O-N 3.39Å; R266-R270 WeakPolarHBondContact O-CG 3.41Å; R266-R270 PolarHBondContact O-N 2.86Å
267	S	65.3	Low	68	Low	48 Å²	48	75.8 Å²	75.8	34%	0.336	39%	0.388	S	S	.	.	H	α-helix	trans	-66	-30.4	174.5	-175.2	0	0	0	0	112.3	S263 A264 L265	S263-S267 WeakPolarHBondContact O-CB 3.36Å; S263-S267 PolarHBondContact O-N 3.18Å; A264-S267 PolarHBondContact O-N 3.41Å; L265-S267 PolarHBondContact O-N 3.49Å
268	H	71.1	Confident	68	Low	24 Å²	24	72.7 Å²	72.7	11%	0.111	38%	0.375	C	S	.	.	H	α-helix	trans	-77.1	-38.7	176.2	171.5	66.3	0	0	0	112.7	C255 F259 A264 L265 R266 R270 T271 H272	C255-H268 PolarHBondContact SG-NE2 2.59Å; F259-H268 HydrophobicContact CE1-CB 3.85Å; F259-H268 HydrophobicContact CE2-CB 3.78Å; F259-H268 AromaticContact CE2-CD2 3.21Å; F259-H268 WeakPolarHBondContact CE2-CD2 3.4Å; F259-H268 AromaticContact CE2-CG 3.5Å; F259-H268 VanDerWaalsContact CE2-CG 3.5Å; F259-H268 AromaticContact CE2-NE2 3.96Å; F259-H268 HydrophobicContact CZ-CB 3.36Å; F259-H268 AromaticContact CZ-CD2 3.31Å; F259-H268 WeakPolarHBondContact CZ-CD2 3.3Å; F259-H268 AromaticContact CZ-CG 3.09Å; F259-H268 AromaticContact CZ-ND1 3.65Å; F259-H268 AromaticContact CZ-NE2 3.92Å; A264-H268 VanDerWaalsContact O-CB 3.29Å; A264-H268 WeakPolarHBondContact O-CB 3.47Å; A264-H268 PolarHBondContact O-N 3.12Å; L265-H268 CarbonylContact O-C 3.37Å; L265-H268 WeakPolarHBondContact O-CA 3.41Å; L265-H268 WeakPolarHBondContact O-CB 3.33Å; L265-H268 PolarHBondContact O-N 3.14Å; R266-H268 VanDerWaalsContact C-N 3.25Å; R266-H268 PolarHBondContact O-N 3.47Å; H268-R270 PolarHBondContact O-N 2.84Å; H268-T271 PolarHBondContact CE1-OG1 3.31Å; H268-T271 PolarHBondContact ND1-OG1 3.16Å; H268-T271 WeakPolarHBondContact O-CA 3.38Å; H268-T271 WeakPolarHBondContact O-CB 3.42Å; H268-T271 WeakPolarHBondContact O-CG2 2.99Å; H268-T271 PolarHBondContact O-N 2.81Å; H268-T271 PolarHBondContact O-OG1 3.29Å; H268-H272 AromaticContact CE1-NE2 3.89Å; H268-H272 AromaticContact NE2-CE1 3.93Å; H268-H272 AromaticContact NE2-NE2 3.33Å; H268-H272 PolarHBondContact NE2-NE2 3.36Å
269	A	67.4	Low	67.4	Low	34 Å²	34	76 Å²	76	28%	0.281	39%	0.388	S	S	.	.	H	α-helix	trans	-58.9	-32.3	177	0	0	0	0	0	111.7	L265 R266 T271 H272	L265-A269 PolarHBondContact O-N 2.88Å; R266-A269 PolarHBondContact O-N 3.39Å; A269-T271 PolarHBondContact O-N 3.25Å; A269-H272 PolarHBondContact O-N 2.94Å
270	R	66.6	Low	67.2	Low	98 Å²	98	74 Å²	74	37%	0.37	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-0.5	168.7	-62.1	176.5	-170.7	172	0.6	114.7	R266 H268 R288	R266-R270 WeakPolarHBondContact O-CG 3.41Å; R266-R270 PolarHBondContact O-N 2.86Å; H268-R270 PolarHBondContact O-N 2.84Å; R270-R288 PolarHBondContact O-NE 2.72Å
271	T	61.3	Low	66.9	Low	51 Å²	51	76.6 Å²	76.6	31%	0.313	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-19.3	171.6	69.9	0	0	0	0	112.8	H268 A269	H268-T271 PolarHBondContact CE1-OG1 3.31Å; H268-T271 PolarHBondContact ND1-OG1 3.16Å; H268-T271 WeakPolarHBondContact O-CA 3.38Å; H268-T271 WeakPolarHBondContact O-CB 3.42Å; H268-T271 WeakPolarHBondContact O-CG2 2.99Å; H268-T271 PolarHBondContact O-N 2.81Å; H268-T271 PolarHBondContact O-OG1 3.29Å; A269-T271 PolarHBondContact O-N 3.25Å
272	H	63.4	Low	66.5	Low	69 Å²	69	81.3 Å²	81.3	32%	0.319	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-40	177.4	-58.1	-49.2	0	0	0	111.8	C252 D254 C255 H268 A269 K274	C252-H272 VanDerWaalsContact SG-CD2 3.53Å; C252-H272 PolarHBondContact SG-NE2 2.98Å; D254-H272 IonicContact OD2-CD2 3.34Å; D254-H272 PolarHBondContact OD2-CD2 2.97Å; D254-H272 VanDerWaalsContact OD2-CD2 3.28Å; D254-H272 IonicContact OD2-CG 3.36Å; C255-H272 PolarHBondContact SG-CE1 2.83Å; C255-H272 PolarHBondContact SG-NE2 2.84Å; C255-H272 VanDerWaalsContact SG-NE2 3.36Å; H268-H272 AromaticContact CE1-NE2 3.89Å; H268-H272 AromaticContact NE2-CE1 3.93Å; H268-H272 AromaticContact NE2-NE2 3.33Å; H268-H272 PolarHBondContact NE2-NE2 3.36Å; A269-H272 PolarHBondContact O-N 2.94Å; H272-K274 PolarHBondContact O-N 3.01Å
273	L	60.4	Low	66.4	Low	105 Å²	105	81.2 Å²	81.2	55%	0.55	42%	0.423	S	S	.	.	S	Bend	trans	-69.8	117.3	166	-66.8	144.8	0	0	0	107.7	E275	L273-E275 PolarHBondContact O-N 3.35Å
274	K	54.6	Low	66	Low	206 Å²	206	80.8 Å²	80.8	90%	0.896	43%	0.43	S	S	*	.			trans	-60.9	-5.6	179.9	-78.4	178.8	-178.7	170.6	0	113.5	H272	H272-K274 PolarHBondContact O-N 3.01Å
275	E	55.4	Low	65.9	Low	123 Å²	123	83 Å²	83	58%	0.575	44%	0.437	S	S	*	.			trans	-74.2	135.2	-178.2	-58.8	-165.7	159.6	0	0	112.5	L273	L273-E275 PolarHBondContact O-N 3.35Å
276	K	64.4	Low	65.6	Low	98 Å²	98	82.2 Å²	82.2	43%	0.426	44%	0.436	S	S	.	.			trans	-121.6	93.6	177.8	-75.9	159.6	153.6	-147.3	0	106.2	F278 A286 F287 R288	K276-F278 PolarHBondContact O-N 3.22Å; K276-A286 HydrophobicContact CB-CB 3.31Å; K276-A286 HydrophobicContact CD-CB 3.89Å; K276-A286 WeakPolarHBondContact CD-O 3.42Å; K276-A286 VanDerWaalsContact CE-O 3.26Å; K276-A286 WeakPolarHBondContact CE-O 3.48Å; K276-A286 HydrophobicContact CG-CB 4.24Å; K276-A286 PolarHBondContact NZ-O 2.84Å; K276-F287 CarbonylContact C-O 3.51Å; K276-R288 HydrophobicContact CG-CG 4.41Å
277	P	67.3	Low	65.8	Low	82 Å²	82	76.2 Å²	76.2	53%	0.532	42%	0.415	S	S	.	.	S	Bend	trans	-67.4	-8.3	-167.2	-24.4	35.1	0	0	0	115.7
278	F	70.9	Confident	65.6	Low	62 Å²	62	78.9 Å²	78.9	27%	0.272	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	94.1	-175.3	-56.2	-79.6	0	0	0	109.8	K276 A286 F287 L290 L293	K276-F278 PolarHBondContact O-N 3.22Å; F278-A286 CarbonylContact O-C 3.53Å; F278-A286 WeakPolarHBondContact O-CA 3.47Å; F278-F287 HydrophobicContact CB-CB 4.37Å; F278-F287 PolarHBondContact N-O 3.34Å; F278-F287 VanDerWaalsContact N-O 3.14Å; F278-F287 PolarHBondContact O-N 3.15Å; F278-L290 HydrophobicContact CD1-CB 4.06Å; F278-L290 HydrophobicContact CD1-CD1 3.95Å; F278-L290 HydrophobicContact CE1-CB 3.87Å; F278-L290 HydrophobicContact CE1-CD1 4.26Å; F278-L290 HydrophobicContact CZ-CB 4.23Å; F278-L293 HydrophobicContact CB-CB 4.22Å; F278-L293 HydrophobicContact CB-CD2 3.95Å
279	D	65.8	Low	65.4	Low	104 Å²	104	79.7 Å²	79.7	56%	0.556	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	151.8	177.7	64.8	-73.9	0	0	0	112.7	A286 L293	D279-A286 HydrophobicContact CB-CB 4.29Å; D279-L293 VanDerWaalsContact O-CD2 3.32Å; D279-L293 WeakPolarHBondContact O-CD2 3.42Å
280	C	74.4	Confident	65.5	Low	1 Å²	1	82.2 Å²	82.2	1%	0.007	43%	0.433	C	S	.	.			trans	-97.2	110.6	170.3	177.8	0	0	0	0	108.7	Q282 C283 G284 N285 F287 L293 M297 H300	C280-Q282 PolarHBondContact O-N 2.88Å; C280-C283 PolarHBondContact O-N 3.4Å; C280-C283 PolarHBondContact SG-SG 2.89Å; C280-G284 WeakPolarHBondContact O-CA 3.44Å; C280-G284 PolarHBondContact O-N 2.88Å; C280-N285 VanDerWaalsContact CB-O 3.25Å; C280-N285 WeakPolarHBondContact CB-O 3.35Å; C280-N285 PolarHBondContact N-O 3.29Å; C280-F287 HydrophobicContact CB-CE2 4.21Å; C280-L293 HydrophobicContact CB-CD1 3.71Å; C280-M297 HydrophobicContact CB-SD 4.46Å; C280-H300 PolarHBondContact SG-NE2 2.86Å
281	S	68.8	Low	65.7	Low	108 Å²	108	81.1 Å²	81.1	76%	0.755	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-25.4	178.6	55.5	0	0	0	0	114.1
282	Q	68.6	Low	66.2	Low	123 Å²	123	80.1 Å²	80.1	58%	0.575	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-18.4	-177.2	-62.7	-164.1	5.2	0	0	115.2	C280	C280-Q282 PolarHBondContact O-N 2.88Å
283	C	67.6	Low	66.8	Low	52 Å²	52	78 Å²	78	35%	0.351	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.5	6.7	-176.7	67.6	0	0	0	0	114.9	C280 N285 H296 H300	C280-C283 PolarHBondContact O-N 3.4Å; C280-C283 PolarHBondContact SG-SG 2.89Å; C283-N285 PolarHBondContact O-N 2.82Å; C283-N285 PolarHBondContact SG-ND2 3.27Å; C283-H296 PolarHBondContact SG-NE2 3.03Å; C283-H300 PolarHBondContact SG-NE2 3.48Å
284	G	62.2	Low	67.5	Low	66 Å²	66	79.5 Å²	79.5	68%	0.68	43%	0.43	S	S	*	.			trans	65.7	4.2	179.8	0	0	0	0	0	114.6	C280 A286	C280-G284 WeakPolarHBondContact O-CA 3.44Å; C280-G284 PolarHBondContact O-N 2.88Å; G284-A286 PolarHBondContact O-N 2.95Å
285	N	64.9	Low	68.5	Low	82 Å²	82	72.3 Å²	72.3	44%	0.439	40%	0.401	S	S	.	.			trans	-73.5	124.9	177.8	-77.7	-50.4	0	0	0	110.2	C280 C283 F287	C280-N285 VanDerWaalsContact CB-O 3.25Å; C280-N285 WeakPolarHBondContact CB-O 3.35Å; C280-N285 PolarHBondContact N-O 3.29Å; C283-N285 PolarHBondContact O-N 2.82Å; C283-N285 PolarHBondContact SG-ND2 3.27Å; N285-F287 HydrophobicContact CB-CE2 3.89Å; N285-F287 HydrophobicContact CB-CZ 3.94Å; N285-F287 WeakPolarHBondContact O-CD2 3.25Å; N285-F287 WeakPolarHBondContact O-CE2 3.27Å
286	A	68.7	Low	69.6	Low	22 Å²	22	67.8 Å²	67.8	18%	0.182	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	145.2	177.7	0	0	0	0	0	113.1	K276 F278 D279 G284	K276-A286 HydrophobicContact CB-CB 3.31Å; K276-A286 HydrophobicContact CD-CB 3.89Å; K276-A286 WeakPolarHBondContact CD-O 3.42Å; K276-A286 VanDerWaalsContact CE-O 3.26Å; K276-A286 WeakPolarHBondContact CE-O 3.48Å; K276-A286 HydrophobicContact CG-CB 4.24Å; K276-A286 PolarHBondContact NZ-O 2.84Å; F278-A286 CarbonylContact O-C 3.53Å; F278-A286 WeakPolarHBondContact O-CA 3.47Å; D279-A286 HydrophobicContact CB-CB 4.29Å; G284-A286 PolarHBondContact O-N 2.95Å
287	F	71.8	Confident	70.1	Confident	43 Å²	43	65.6 Å²	65.6	19%	0.189	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	156.5	-172.8	-58.7	-87.6	0	0	0	111	K276 F278 C280 N285 A292 L293 H296	K276-F287 CarbonylContact C-O 3.51Å; F278-F287 HydrophobicContact CB-CB 4.37Å; F278-F287 PolarHBondContact N-O 3.34Å; F278-F287 VanDerWaalsContact N-O 3.14Å; F278-F287 PolarHBondContact O-N 3.15Å; C280-F287 HydrophobicContact CB-CE2 4.21Å; N285-F287 HydrophobicContact CB-CE2 3.89Å; N285-F287 HydrophobicContact CB-CZ 3.94Å; N285-F287 WeakPolarHBondContact O-CD2 3.25Å; N285-F287 WeakPolarHBondContact O-CE2 3.27Å; F287-A292 HydrophobicContact CB-CB 4.24Å; F287-A292 HydrophobicContact CD1-CB 4.07Å; F287-A292 HydrophobicContact CG-CB 4.44Å; F287-L293 HydrophobicContact CB-CB 4.26Å; F287-L293 HydrophobicContact CD2-CB 3.92Å; F287-L293 HydrophobicContact CD2-CD1 3.6Å; F287-L293 HydrophobicContact CD2-CG 4.35Å; F287-L293 HydrophobicContact CE2-CD1 3.81Å; F287-L293 HydrophobicContact CG-CB 4.23Å; F287-H296 HydrophobicContact CE1-CB 3.75Å; F287-H296 AromaticContact CE1-CG 3.91Å; F287-H296 HydrophobicContact CE2-CB 3.83Å; F287-H296 AromaticContact CE2-CD2 3.34Å; F287-H296 WeakPolarHBondContact CE2-CD2 3.2Å; F287-H296 AromaticContact CE2-CG 3.55Å; F287-H296 AromaticContact CE2-NE2 3.96Å; F287-H296 HydrophobicContact CZ-CB 3.36Å; F287-H296 AromaticContact CZ-CD2 3.34Å; F287-H296 WeakPolarHBondContact CZ-CD2 3.22Å; F287-H296 AromaticContact CZ-CE1 3.88Å; F287-H296 AromaticContact CZ-CG 3.07Å; F287-H296 AromaticContact CZ-ND1 3.47Å; F287-H296 WeakPolarHBondContact CZ-ND1 3.47Å; F287-H296 AromaticContact CZ-NE2 3.82Å
288	R	62.2	Low	70.8	Confident	103 Å²	103	64.8 Å²	64.8	39%	0.389	36%	0.358	S	S	.	.	S	Bend	trans	-88	-12.5	-177.9	-62.8	-174.6	178.3	109.5	-4.1	114	R270 K276	R270-R288 PolarHBondContact O-NE 2.72Å; K276-R288 HydrophobicContact CG-CG 4.41Å
289	T	67.3	Low	71	Confident	42 Å²	42	67 Å²	67	26%	0.258	38%	0.376	S	S	.	.	S	Bend	trans	-145.5	141.1	-176.2	56.7	0	0	0	0	109.7	S291 A292 L293	T289-S291 VanDerWaalsContact C-N 3.26Å; T289-S291 PolarHBondContact O-N 3.35Å; T289-S291 PolarHBondContact OG1-OG 3.02Å; T289-A292 WeakPolarHBondContact O-CB 3.32Å; T289-A292 PolarHBondContact O-N 3.4Å; T289-A292 VanDerWaalsContact O-N 3.11Å; T289-A292 WeakPolarHBondContact OG1-CB 2.81Å; T289-A292 PolarHBondContact OG1-N 2.83Å; T289-L293 PolarHBondContact O-N 3.38Å
290	L	68.1	Low	71.4	Confident	87 Å²	87	65 Å²	65	46%	0.455	36%	0.363	S	S	.	.	H	α-helix	trans	-57.7	-36.2	176.5	-173.5	63.8	0	0	0	113.1	F278 A292 L293 K294	F278-L290 HydrophobicContact CD1-CB 4.06Å; F278-L290 HydrophobicContact CD1-CD1 3.95Å; F278-L290 HydrophobicContact CE1-CB 3.87Å; F278-L290 HydrophobicContact CE1-CD1 4.26Å; F278-L290 HydrophobicContact CZ-CB 4.23Å; L290-A292 VanDerWaalsContact C-N 3.34Å; L290-A292 PolarHBondContact O-N 3.47Å; L290-L293 HydrophobicContact CD1-CD2 4.42Å; L290-L293 PolarHBondContact O-N 3.24Å; L290-K294 WeakPolarHBondContact O-CG 3.33Å; L290-K294 PolarHBondContact O-N 3.3Å
291	S	71.9	Confident	71.3	Confident	74 Å²	74	68 Å²	68	52%	0.517	38%	0.381	S	S	.	.	H	α-helix	trans	-62.2	-39.3	176.4	55.3	0	0	0	0	112.7	T289 K294 I295	T289-S291 VanDerWaalsContact C-N 3.26Å; T289-S291 PolarHBondContact O-N 3.35Å; T289-S291 PolarHBondContact OG1-OG 3.02Å; S291-K294 PolarHBondContact O-N 3.44Å; S291-I295 WeakPolarHBondContact O-CD1 3.47Å; S291-I295 VanDerWaalsContact O-CG1 3.24Å; S291-I295 WeakPolarHBondContact O-CG1 3.28Å; S291-I295 PolarHBondContact O-N 3.11Å
292	A	71.6	Confident	71.6	Confident	31 Å²	31	65.3 Å²	65.3	26%	0.256	37%	0.371	S	S	.	.	H	α-helix	trans	-68	-38.1	175.4	0	0	0	0	0	112.2	F287 T289 L290 H296	F287-A292 HydrophobicContact CB-CB 4.24Å; F287-A292 HydrophobicContact CD1-CB 4.07Å; F287-A292 HydrophobicContact CG-CB 4.44Å; T289-A292 WeakPolarHBondContact O-CB 3.32Å; T289-A292 PolarHBondContact O-N 3.4Å; T289-A292 VanDerWaalsContact O-N 3.11Å; T289-A292 WeakPolarHBondContact OG1-CB 2.81Å; T289-A292 PolarHBondContact OG1-N 2.83Å; L290-A292 VanDerWaalsContact C-N 3.34Å; L290-A292 PolarHBondContact O-N 3.47Å; A292-H296 VanDerWaalsContact O-CB 3.31Å; A292-H296 WeakPolarHBondContact O-CB 3.43Å; A292-H296 PolarHBondContact O-N 2.78Å
293	L	75.7	Confident	71.9	Confident	24 Å²	24	64.2 Å²	64.2	13%	0.126	37%	0.366	C	S	.	.	H	α-helix	trans	-63.2	-49.7	172.3	175.6	62.3	0	0	0	110.6	F278 D279 C280 F287 T289 L290 I295 H296 M297	F278-L293 HydrophobicContact CB-CB 4.22Å; F278-L293 HydrophobicContact CB-CD2 3.95Å; D279-L293 VanDerWaalsContact O-CD2 3.32Å; D279-L293 WeakPolarHBondContact O-CD2 3.42Å; C280-L293 HydrophobicContact CB-CD1 3.71Å; F287-L293 HydrophobicContact CB-CB 4.26Å; F287-L293 HydrophobicContact CD2-CB 3.92Å; F287-L293 HydrophobicContact CD2-CD1 3.6Å; F287-L293 HydrophobicContact CD2-CG 4.35Å; F287-L293 HydrophobicContact CE2-CD1 3.81Å; F287-L293 HydrophobicContact CG-CB 4.23Å; T289-L293 PolarHBondContact O-N 3.38Å; L290-L293 HydrophobicContact CD1-CD2 4.42Å; L290-L293 PolarHBondContact O-N 3.24Å; L293-I295 VanDerWaalsContact C-N 3.32Å; L293-I295 PolarHBondContact O-N 3.03Å; L293-H296 CarbonylContact O-C 3.5Å; L293-H296 WeakPolarHBondContact O-CA 3.14Å; L293-H296 WeakPolarHBondContact O-CB 3.19Å; L293-H296 PolarHBondContact O-N 3.37Å; L293-M297 HydrophobicContact CD1-CG 4.34Å; L293-M297 HydrophobicContact CD1-SD 4.12Å; L293-M297 HydrophobicContact CG-CG 4.47Å; L293-M297 WeakPolarHBondContact O-CG 3.35Å; L293-M297 PolarHBondContact O-N 2.77Å
294	K	74.8	Confident	72.5	Confident	136 Å²	136	68.4 Å²	68.4	59%	0.591	37%	0.374	S	S	*	.	H	α-helix	trans	-56.1	-43.2	176.8	-74	-173.5	178	-169.4	0	112.7	L290 S291 H296 M297	L290-K294 WeakPolarHBondContact O-CG 3.33Å; L290-K294 PolarHBondContact O-N 3.3Å; S291-K294 PolarHBondContact O-N 3.44Å; K294-H296 VanDerWaalsContact C-N 3.31Å; K294-H296 PolarHBondContact O-N 3.43Å; K294-M297 PolarHBondContact O-N 3.11Å
295	I	76	Confident	73.4	Confident	56 Å²	56	68.7 Å²	68.7	29%	0.287	36%	0.364	S	S	.	.	H	α-helix	trans	-67.2	-34.8	175.7	-66.8	165.2	0	0	0	111.2	S291 L293 R298 R317	S291-I295 WeakPolarHBondContact O-CD1 3.47Å; S291-I295 VanDerWaalsContact O-CG1 3.24Å; S291-I295 WeakPolarHBondContact O-CG1 3.28Å; S291-I295 PolarHBondContact O-N 3.11Å; L293-I295 VanDerWaalsContact C-N 3.32Å; L293-I295 PolarHBondContact O-N 3.03Å; I295-R298 WeakPolarHBondContact O-CB 3.43Å; I295-R317 HydrophobicContact CG2-CG 3.98Å
296	H	78.1	Confident	74.2	Confident	27 Å²	27	68.7 Å²	68.7	13%	0.125	36%	0.358	C	S	.	.	H	α-helix	trans	-68.8	-37.1	175.4	170.6	74.5	0	0	0	112.5	C283 F287 A292 L293 K294 R298 V299 H300	C283-H296 PolarHBondContact SG-NE2 3.03Å; F287-H296 HydrophobicContact CE1-CB 3.75Å; F287-H296 AromaticContact CE1-CG 3.91Å; F287-H296 HydrophobicContact CE2-CB 3.83Å; F287-H296 AromaticContact CE2-CD2 3.34Å; F287-H296 WeakPolarHBondContact CE2-CD2 3.2Å; F287-H296 AromaticContact CE2-CG 3.55Å; F287-H296 AromaticContact CE2-NE2 3.96Å; F287-H296 HydrophobicContact CZ-CB 3.36Å; F287-H296 AromaticContact CZ-CD2 3.34Å; F287-H296 WeakPolarHBondContact CZ-CD2 3.22Å; F287-H296 AromaticContact CZ-CE1 3.88Å; F287-H296 AromaticContact CZ-CG 3.07Å; F287-H296 AromaticContact CZ-ND1 3.47Å; F287-H296 WeakPolarHBondContact CZ-ND1 3.47Å; F287-H296 AromaticContact CZ-NE2 3.82Å; A292-H296 VanDerWaalsContact O-CB 3.31Å; A292-H296 WeakPolarHBondContact O-CB 3.43Å; A292-H296 PolarHBondContact O-N 2.78Å; L293-H296 CarbonylContact O-C 3.5Å; L293-H296 WeakPolarHBondContact O-CA 3.14Å; L293-H296 WeakPolarHBondContact O-CB 3.19Å; L293-H296 PolarHBondContact O-N 3.37Å; K294-H296 VanDerWaalsContact C-N 3.31Å; K294-H296 PolarHBondContact O-N 3.43Å; H296-R298 PolarHBondContact O-N 3.28Å; H296-V299 VanDerWaalsContact O-CB 3.23Å; H296-V299 WeakPolarHBondContact O-CB 3.48Å; H296-V299 WeakPolarHBondContact O-CG2 3.38Å; H296-V299 PolarHBondContact O-N 3.43Å; H296-H300 AromaticContact CD2-NE2 3.94Å; H296-H300 AromaticContact CE1-NE2 3.85Å; H296-H300 AromaticContact NE2-NE2 3.2Å; H296-H300 PolarHBondContact NE2-NE2 2.93Å
297	M	75.5	Confident	74.7	Confident	52 Å²	52	74.2 Å²	74.2	26%	0.256	38%	0.378	S	S	.	.	H	α-helix	trans	-56.7	-26.5	177.9	-68	-53.3	-69.5	0	0	112.8	C280 L293 K294 V299 H300 T301	C280-M297 HydrophobicContact CB-SD 4.46Å; L293-M297 HydrophobicContact CD1-CG 4.34Å; L293-M297 HydrophobicContact CD1-SD 4.12Å; L293-M297 HydrophobicContact CG-CG 4.47Å; L293-M297 WeakPolarHBondContact O-CG 3.35Å; L293-M297 PolarHBondContact O-N 2.77Å; K294-M297 PolarHBondContact O-N 3.11Å; M297-V299 PolarHBondContact O-N 3.34Å; M297-V299 VanDerWaalsContact O-N 3.15Å; M297-H300 PolarHBondContact O-N 3.4Å; M297-T301 PolarHBondContact O-N 2.91Å; M297-T301 PolarHBondContact O-OG1 3.25Å
298	R	81.6	Confident	75.4	Confident	66 Å²	66	72.2 Å²	72.2	25%	0.249	37%	0.37	C	S	.	.	H	α-helix	trans	-61.2	-19.3	172.9	-59.6	179.5	-175.8	165.5	0.3	114.3	I295 H296 H300 T301 G302 E303 G316	I295-R298 WeakPolarHBondContact O-CB 3.43Å; H296-R298 PolarHBondContact O-N 3.28Å; R298-H300 VanDerWaalsContact C-N 3.34Å; R298-T301 WeakPolarHBondContact CA-OG1 3.42Å; R298-G302 WeakPolarHBondContact O-CA 3.35Å; R298-G302 PolarHBondContact O-N 3.36Å; R298-G302 VanDerWaalsContact O-N 3.13Å; R298-E303 HydrophobicContact CB-CB 4.44Å; R298-E303 HydrophobicContact CG-CB 4.33Å; R298-E303 PolarHBondContact O-N 2.79Å; R298-G316 PolarHBondContact NH1-O 3.4Å
299	V	74.6	Confident	76.2	Confident	107 Å²	107	73.5 Å²	73.5	65%	0.648	38%	0.384	S	S	*	.	H	α-helix	trans	-70.7	-35.3	173.6	178.7	0	0	0	0	110.7	H296 M297	H296-V299 VanDerWaalsContact O-CB 3.23Å; H296-V299 WeakPolarHBondContact O-CB 3.48Å; H296-V299 WeakPolarHBondContact O-CG2 3.38Å; H296-V299 PolarHBondContact O-N 3.43Å; M297-V299 PolarHBondContact O-N 3.34Å; M297-V299 VanDerWaalsContact O-N 3.15Å
300	H	74.1	Confident	76.7	Confident	64 Å²	64	77.8 Å²	77.8	30%	0.296	40%	0.402	S	S	.	.	H	α-helix	trans	-86.1	-41.1	-179	-57.4	-52.3	0	0	0	112	C280 C283 H296 M297 R298 G302	C280-H300 PolarHBondContact SG-NE2 2.86Å; C283-H300 PolarHBondContact SG-NE2 3.48Å; H296-H300 AromaticContact CD2-NE2 3.94Å; H296-H300 AromaticContact CE1-NE2 3.85Å; H296-H300 AromaticContact NE2-NE2 3.2Å; H296-H300 PolarHBondContact NE2-NE2 2.93Å; M297-H300 PolarHBondContact O-N 3.4Å; R298-H300 VanDerWaalsContact C-N 3.34Å; H300-G302 PolarHBondContact O-N 3.27Å
301	T	74.2	Confident	77.3	Confident	62 Å²	62	76.2 Å²	76.2	38%	0.38	40%	0.397	S	S	.	.	H	α-helix	trans	-76.7	-13.6	178.3	62.3	0	0	0	0	113	M297 R298 E303	M297-T301 PolarHBondContact O-N 2.91Å; M297-T301 PolarHBondContact O-OG1 3.25Å; R298-T301 WeakPolarHBondContact CA-OG1 3.42Å; T301-E303 PolarHBondContact O-N 3.47Å; T301-E303 WeakPolarHBondContact OG1-CG 3.35Å
302	G	74.5	Confident	77.7	Confident	52 Å²	52	75.4 Å²	75.4	54%	0.536	40%	0.401	S	S	.	.			trans	70	7.5	-176.6	0	0	0	0	0	114	R298 H300 R304	R298-G302 WeakPolarHBondContact O-CA 3.35Å; R298-G302 PolarHBondContact O-N 3.36Å; R298-G302 VanDerWaalsContact O-N 3.13Å; H300-G302 PolarHBondContact O-N 3.27Å; G302-R304 PolarHBondContact O-N 2.83Å
303	E	74.9	Confident	78	Confident	100 Å²	100	79.7 Å²	79.7	47%	0.467	41%	0.413	S	S	.	.			trans	-63.4	125.8	-178.9	-76.4	178.5	-176.2	0	0	112.1	R298 T301	R298-E303 HydrophobicContact CB-CB 4.44Å; R298-E303 HydrophobicContact CG-CB 4.33Å; R298-E303 PolarHBondContact O-N 2.79Å; T301-E303 PolarHBondContact O-N 3.47Å; T301-E303 WeakPolarHBondContact OG1-CG 3.35Å
304	R	79.9	Confident	78.4	Confident	141 Å²	141	79.5 Å²	79.5	53%	0.532	42%	0.415	S	S	.	.			trans	-128.3	78	178	-64.2	173	84.6	156.9	2.8	109.4	G302 Y306 A314 Y315	G302-R304 PolarHBondContact O-N 2.83Å; R304-Y306 PolarHBondContact O-N 3.44Å; R304-A314 HydrophobicContact CB-CB 3.45Å; R304-A314 VanDerWaalsContact CB-CB 3.45Å; R304-A314 HydrophobicContact CG-CB 4.48Å; R304-A314 PolarHBondContact NE-O 3.36Å; R304-A314 PolarHBondContact NH2-O 3.46Å; R304-Y315 CarbonylContact C-O 3.28Å; R304-Y315 WeakPolarHBondContact CA-O 3.16Å
305	P	80.6	Confident	78.6	Confident	71 Å²	71	75 Å²	75	46%	0.461	40%	0.395	S	S	.	.			trans	-65.1	-23.7	-172	-23.2	35	0	0	0	114
306	Y	82.7	Confident	78.6	Confident	82 Å²	82	73.3 Å²	73.3	32%	0.322	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	96.7	-171.5	-56	-77.6	0	0	0	110.6	R304 A314 Y315 S318	R304-Y306 PolarHBondContact O-N 3.44Å; Y306-A314 CarbonylContact O-C 3.48Å; Y306-A314 WeakPolarHBondContact O-CA 3.43Å; Y306-Y315 WeakPolarHBondContact CB-O 3.41Å; Y306-Y315 WeakPolarHBondContact CD2-O 3.46Å; Y306-Y315 PolarHBondContact N-O 2.95Å; Y306-Y315 PolarHBondContact O-N 3.47Å; Y306-S318 VanDerWaalsContact CD2-N 3.3Å
307	K	79.8	Confident	78.6	Confident	138 Å²	138	77.6 Å²	77.6	60%	0.6	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	144.8	-179.6	-63.5	-179.8	-178.1	176.7	0	111.8	A314 L321	K307-A314 HydrophobicContact CG-CB 3.86Å; K307-L321 VanDerWaalsContact O-CD2 3.28Å; K307-L321 WeakPolarHBondContact O-CD2 3.26Å
308	C	84.9	Confident	78.6	Confident	2 Å²	2	77.7 Å²	77.7	1%	0.014	41%	0.412	C	S	.	.			trans	-89.5	118	172.9	-177.3	0	0	0	0	109.8	Q310 C311 G312 K313 L321 H328	C308-Q310 PolarHBondContact O-N 3.07Å; C308-C311 PolarHBondContact O-N 3.39Å; C308-G312 VanDerWaalsContact O-CA 3.26Å; C308-G312 WeakPolarHBondContact O-CA 3.41Å; C308-G312 PolarHBondContact O-N 2.8Å; C308-K313 WeakPolarHBondContact CB-O 3.31Å; C308-K313 PolarHBondContact N-O 2.9Å; C308-L321 HydrophobicContact CB-CD1 3.63Å; C308-H328 PolarHBondContact SG-NE2 3.26Å; C308-H328 VanDerWaalsContact SG-NE2 3.37Å
309	D	80.1	Confident	78.2	Confident	130 Å²	130	77.9 Å²	77.9	70%	0.695	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-25.3	-176.7	-42.5	-53	0	0	0	112.3	K325	D309-K325 IonicContact OD2-NZ 3.26Å; D309-K325 PolarHBondContact OD2-NZ 3.12Å
310	Q	77.4	Confident	78.3	Confident	132 Å²	132	77.2 Å²	77.2	62%	0.617	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-24.9	-176.4	-67.2	176.4	-1.6	0	0	114.4	C308 H328	C308-Q310 PolarHBondContact O-N 3.07Å; Q310-H328 PolarHBondContact OE1-CD2 2.92Å
311	C	80.7	Confident	78.6	Confident	53 Å²	53	75.1 Å²	75.1	36%	0.358	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.2	11.3	-177.2	80.5	0	0	0	0	114.4	C308 K313 H324 H328	C308-C311 PolarHBondContact O-N 3.39Å; C311-K313 PolarHBondContact O-N 3.04Å; C311-K313 VanDerWaalsContact SG-CG 3.59Å; C311-H324 PolarHBondContact SG-NE2 3.21Å; C311-H328 PolarHBondContact SG-NE2 2.9Å
312	G	79.5	Confident	78.7	Confident	58 Å²	58	76.9 Å²	76.9	60%	0.598	41%	0.409	S	S	*	.			trans	66.9	-1.7	178.6	0	0	0	0	0	115.8	C308 A314	C308-G312 VanDerWaalsContact O-CA 3.26Å; C308-G312 WeakPolarHBondContact O-CA 3.41Å; C308-G312 PolarHBondContact O-N 2.8Å; G312-A314 PolarHBondContact O-N 2.88Å
313	K	79.1	Confident	78.6	Confident	120 Å²	120	75 Å²	75	52%	0.522	39%	0.389	S	S	.	.			trans	-69.4	125.9	-176.7	-76.2	179.9	-176.6	170.4	0	110.8	C308 C311 Y315	C308-K313 WeakPolarHBondContact CB-O 3.31Å; C308-K313 PolarHBondContact N-O 2.9Å; C311-K313 PolarHBondContact O-N 3.04Å; C311-K313 VanDerWaalsContact SG-CG 3.59Å; K313-Y315 HydrophobicContact CB-CE2 3.88Å; K313-Y315 WeakPolarHBondContact O-CE2 3.27Å
314	A	82.9	Confident	78.7	Confident	20 Å²	20	71.1 Å²	71.1	17%	0.165	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	150.9	-179.7	0	0	0	0	0	112.2	R304 Y306 K307 G312	R304-A314 HydrophobicContact CB-CB 3.45Å; R304-A314 VanDerWaalsContact CB-CB 3.45Å; R304-A314 HydrophobicContact CG-CB 4.48Å; R304-A314 PolarHBondContact NE-O 3.36Å; R304-A314 PolarHBondContact NH2-O 3.46Å; Y306-A314 CarbonylContact O-C 3.48Å; Y306-A314 WeakPolarHBondContact O-CA 3.43Å; K307-A314 HydrophobicContact CG-CB 3.86Å; G312-A314 PolarHBondContact O-N 2.88Å
315	Y	80.6	Confident	78.6	Confident	42 Å²	42	68.1 Å²	68.1	17%	0.165	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	146.2	-179.9	-62.3	-91.2	0	0	0	110.5	R304 Y306 K313 R317 H320 L321 H324	R304-Y315 CarbonylContact C-O 3.28Å; R304-Y315 WeakPolarHBondContact CA-O 3.16Å; Y306-Y315 WeakPolarHBondContact CB-O 3.41Å; Y306-Y315 WeakPolarHBondContact CD2-O 3.46Å; Y306-Y315 PolarHBondContact N-O 2.95Å; Y306-Y315 PolarHBondContact O-N 3.47Å; K313-Y315 HydrophobicContact CB-CE2 3.88Å; K313-Y315 WeakPolarHBondContact O-CE2 3.27Å; Y315-R317 PolarHBondContact O-N 3.42Å; Y315-H320 HydrophobicContact CD1-CB 3.81Å; Y315-H320 HydrophobicContact CG-CB 4.21Å; Y315-L321 HydrophobicContact CD2-CB 4.08Å; Y315-L321 HydrophobicContact CD2-CD1 3.95Å; Y315-L321 HydrophobicContact CE2-CD1 4.23Å; Y315-L321 HydrophobicContact CG-CB 4.46Å; Y315-H324 HydrophobicContact CE1-CB 4.23Å; Y315-H324 HydrophobicContact CE2-CB 3.84Å; Y315-H324 AromaticContact CE2-CD2 3.36Å; Y315-H324 WeakPolarHBondContact CE2-CD2 3.31Å; Y315-H324 AromaticContact CE2-CG 3.7Å; Y315-H324 AromaticContact CZ-CD2 3.61Å; Y315-H324 AromaticContact CZ-CG 3.49Å; Y315-H324 VanDerWaalsContact CZ-CG 3.49Å; Y315-H324 WeakPolarHBondContact OH-CB 3.15Å; Y315-H324 PolarHBondContact OH-CD2 3.24Å; Y315-H324 PolarHBondContact OH-ND1 3.05Å
316	G	75.6	Confident	78.4	Confident	21 Å²	21	67.5 Å²	67.5	22%	0.216	35%	0.35	C	S	.	.	S	Bend	trans	-76	-9.4	176.2	0	0	0	0	0	114.3	R298	R298-G316 PolarHBondContact NH1-O 3.4Å
317	R	77.8	Confident	78.1	Confident	116 Å²	116	66.8 Å²	66.8	44%	0.438	35%	0.354	S	S	.	.	S	Bend	trans	-139.8	141.6	-179.4	-60.5	-176.5	-175.6	-169.7	-5.3	111.3	I295 Y315 C319 H320 L321	I295-R317 HydrophobicContact CG2-CG 3.98Å; Y315-R317 PolarHBondContact O-N 3.42Å; R317-C319 PolarHBondContact O-N 2.83Å; R317-H320 PolarHBondContact O-N 3.28Å; R317-L321 PolarHBondContact O-N 3.36Å
318	S	76	Confident	77.8	Confident	54 Å²	54	63.8 Å²	63.8	38%	0.378	34%	0.343	S	S	.	.	H	α-helix	trans	-62.9	-40.5	179.5	57.4	0	0	0	0	112.9	Y306 H320 L321 I322	Y306-S318 VanDerWaalsContact CD2-N 3.3Å; S318-H320 PolarHBondContact O-N 2.85Å; S318-L321 WeakPolarHBondContact O-CB 3.5Å; S318-L321 PolarHBondContact O-N 3.22Å; S318-I322 WeakPolarHBondContact O-CG1 3.35Å; S318-I322 PolarHBondContact O-N 3.25Å
319	C	71.6	Confident	77.1	Confident	70 Å²	70	67.5 Å²	67.5	47%	0.473	37%	0.365	S	S	.	.	H	α-helix	trans	-61	-31.4	178.5	60.8	0	0	0	0	112.9	R317 A323	R317-C319 PolarHBondContact O-N 2.83Å; C319-A323 VanDerWaalsContact O-CB 3.28Å; C319-A323 WeakPolarHBondContact O-CB 3.4Å; C319-A323 PolarHBondContact O-N 3.08Å
320	H	78.3	Confident	76.6	Confident	93 Å²	93	63.7 Å²	63.7	43%	0.431	36%	0.356	S	S	.	.	H	α-helix	trans	-74.8	-34.8	175	-63	171.5	0	0	0	111.9	Y315 R317 S318 H324	Y315-H320 HydrophobicContact CD1-CB 3.81Å; Y315-H320 HydrophobicContact CG-CB 4.21Å; R317-H320 PolarHBondContact O-N 3.28Å; S318-H320 PolarHBondContact O-N 2.85Å; H320-H324 VanDerWaalsContact O-CB 3.27Å; H320-H324 WeakPolarHBondContact O-CB 3.32Å; H320-H324 PolarHBondContact O-N 3.28Å
321	L	79.5	Confident	76.3	Confident	20 Å²	20	62.6 Å²	62.6	11%	0.105	35%	0.351	C	S	.	.	H	α-helix	trans	-65	-45.8	171.6	174	63.3	0	0	0	111	K307 C308 Y315 R317 S318 A323 H324 K325	K307-L321 VanDerWaalsContact O-CD2 3.28Å; K307-L321 WeakPolarHBondContact O-CD2 3.26Å; C308-L321 HydrophobicContact CB-CD1 3.63Å; Y315-L321 HydrophobicContact CD2-CB 4.08Å; Y315-L321 HydrophobicContact CD2-CD1 3.95Å; Y315-L321 HydrophobicContact CE2-CD1 4.23Å; Y315-L321 HydrophobicContact CG-CB 4.46Å; R317-L321 PolarHBondContact O-N 3.36Å; S318-L321 WeakPolarHBondContact O-CB 3.5Å; S318-L321 PolarHBondContact O-N 3.22Å; L321-A323 VanDerWaalsContact C-N 3.34Å; L321-A323 PolarHBondContact O-N 3.41Å; L321-H324 CarbonylContact O-C 3.59Å; L321-H324 WeakPolarHBondContact O-CB 3.07Å; L321-H324 PolarHBondContact O-N 3.37Å; L321-H324 VanDerWaalsContact O-N 3.12Å; L321-K325 HydrophobicContact CD1-CG 4.28Å; L321-K325 WeakPolarHBondContact O-CG 3.22Å; L321-K325 PolarHBondContact O-N 3.47Å
322	I	76.6	Confident	76	Confident	99 Å²	99	66.9 Å²	66.9	51%	0.508	36%	0.36	S	S	.	.	H	α-helix	trans	-60.4	-45.8	177.3	-66	166.3	0	0	0	110.4	S318 H324 K325 R326	S318-I322 WeakPolarHBondContact O-CG1 3.35Å; S318-I322 PolarHBondContact O-N 3.25Å; I322-H324 VanDerWaalsContact C-N 3.28Å; I322-H324 PolarHBondContact O-N 3.3Å; I322-K325 PolarHBondContact O-N 2.87Å; I322-R326 PolarHBondContact O-N 3.1Å
323	A	71.6	Confident	75.9	Confident	14 Å²	14	67.7 Å²	67.7	12%	0.116	36%	0.355	C	S	.	.	H	α-helix	trans	-57.6	-42	173.8	0	0	0	0	0	112.5	C319 L321 R326 H345	C319-A323 VanDerWaalsContact O-CB 3.28Å; C319-A323 WeakPolarHBondContact O-CB 3.4Å; C319-A323 PolarHBondContact O-N 3.08Å; L321-A323 VanDerWaalsContact C-N 3.34Å; L321-A323 PolarHBondContact O-N 3.41Å; A323-R326 WeakPolarHBondContact O-CB 3.43Å; A323-R326 PolarHBondContact O-N 3.12Å; A323-H345 WeakPolarHBondContact CB-CE1 3.41Å
324	H	78.2	Confident	75.9	Confident	17 Å²	17	65.6 Å²	65.6	8%	0.079	34%	0.344	C	S	.	.	H	α-helix	trans	-69.4	-38.2	177.5	171.7	53.2	0	0	0	112.8	C311 Y315 H320 L321 I322 R326 T327 H328	C311-H324 PolarHBondContact SG-NE2 3.21Å; Y315-H324 HydrophobicContact CE1-CB 4.23Å; Y315-H324 HydrophobicContact CE2-CB 3.84Å; Y315-H324 AromaticContact CE2-CD2 3.36Å; Y315-H324 WeakPolarHBondContact CE2-CD2 3.31Å; Y315-H324 AromaticContact CE2-CG 3.7Å; Y315-H324 AromaticContact CZ-CD2 3.61Å; Y315-H324 AromaticContact CZ-CG 3.49Å; Y315-H324 VanDerWaalsContact CZ-CG 3.49Å; Y315-H324 WeakPolarHBondContact OH-CB 3.15Å; Y315-H324 PolarHBondContact OH-CD2 3.24Å; Y315-H324 PolarHBondContact OH-ND1 3.05Å; H320-H324 VanDerWaalsContact O-CB 3.27Å; H320-H324 WeakPolarHBondContact O-CB 3.32Å; H320-H324 PolarHBondContact O-N 3.28Å; L321-H324 CarbonylContact O-C 3.59Å; L321-H324 WeakPolarHBondContact O-CB 3.07Å; L321-H324 PolarHBondContact O-N 3.37Å; L321-H324 VanDerWaalsContact O-N 3.12Å; I322-H324 VanDerWaalsContact C-N 3.28Å; I322-H324 PolarHBondContact O-N 3.3Å; H324-R326 PolarHBondContact O-N 2.95Å; H324-R326 VanDerWaalsContact O-N 3.12Å; H324-T327 PolarHBondContact CE1-OG1 3.39Å; H324-T327 PolarHBondContact ND1-OG1 3.02Å; H324-T327 WeakPolarHBondContact O-CB 3.32Å; H324-T327 PolarHBondContact O-N 3.39Å; H324-T327 PolarHBondContact O-OG1 3.03Å; H324-H328 AromaticContact CE1-CE1 3.81Å; H324-H328 AromaticContact CE1-NE2 3.4Å; H324-H328 PolarHBondContact CE1-NE2 3.17Å; H324-H328 AromaticContact NE2-CE1 3.94Å; H324-H328 AromaticContact NE2-NE2 3.19Å; H324-H328 PolarHBondContact NE2-NE2 3.34Å; H324-H328 VanDerWaalsContact NE2-NE2 3.19Å
325	K	76.6	Confident	75.6	Confident	78 Å²	78	70.8 Å²	70.8	34%	0.339	37%	0.365	S	S	.	.	H	α-helix	trans	-56.8	-30.5	176.7	-74.8	-170.9	172.7	-163.6	0	111.6	D309 L321 I322 T327 H328 T329	D309-K325 IonicContact OD2-NZ 3.26Å; D309-K325 PolarHBondContact OD2-NZ 3.12Å; L321-K325 HydrophobicContact CD1-CG 4.28Å; L321-K325 WeakPolarHBondContact O-CG 3.22Å; L321-K325 PolarHBondContact O-N 3.47Å; I322-K325 PolarHBondContact O-N 2.87Å; K325-T327 PolarHBondContact O-N 3.17Å; K325-H328 PolarHBondContact O-N 3.43Å; K325-H328 VanDerWaalsContact O-N 3.1Å; K325-T329 PolarHBondContact O-N 2.86Å
326	R	78.1	Confident	75.6	Confident	59 Å²	59	68.9 Å²	68.9	22%	0.223	36%	0.358	C	S	.	.	H	α-helix	trans	-64.8	-16.6	172.6	-60	177.7	-179.5	164.3	2.3	114.8	I322 A323 H324 H328 G330 E331 Q344	I322-R326 PolarHBondContact O-N 3.1Å; A323-R326 WeakPolarHBondContact O-CB 3.43Å; A323-R326 PolarHBondContact O-N 3.12Å; H324-R326 PolarHBondContact O-N 2.95Å; H324-R326 VanDerWaalsContact O-N 3.12Å; R326-H328 VanDerWaalsContact C-N 3.32Å; R326-G330 PolarHBondContact O-N 3.08Å; R326-E331 PolarHBondContact O-N 2.83Å; R326-Q344 PolarHBondContact NH1-O 3.21Å; R326-Q344 VanDerWaalsContact NH1-O 3.11Å
327	T	74.8	Confident	75.5	Confident	66 Å²	66	76.8 Å²	76.8	41%	0.405	39%	0.389	S	S	.	.	H	α-helix	trans	-75.5	-25.7	173.7	68.1	0	0	0	0	112.3	H324 K325	H324-T327 PolarHBondContact CE1-OG1 3.39Å; H324-T327 PolarHBondContact ND1-OG1 3.02Å; H324-T327 WeakPolarHBondContact O-CB 3.32Å; H324-T327 PolarHBondContact O-N 3.39Å; H324-T327 PolarHBondContact O-OG1 3.03Å; K325-T327 PolarHBondContact O-N 3.17Å
328	H	73.3	Confident	75.3	Confident	76 Å²	76	75.9 Å²	75.9	35%	0.352	39%	0.393	S	S	.	.	H	α-helix	trans	-87.2	-39	179.2	-58.9	-54.3	0	0	0	111.9	C308 Q310 C311 H324 K325 R326 G330	C308-H328 PolarHBondContact SG-NE2 3.26Å; C308-H328 VanDerWaalsContact SG-NE2 3.37Å; Q310-H328 PolarHBondContact OE1-CD2 2.92Å; C311-H328 PolarHBondContact SG-NE2 2.9Å; H324-H328 AromaticContact CE1-CE1 3.81Å; H324-H328 AromaticContact CE1-NE2 3.4Å; H324-H328 PolarHBondContact CE1-NE2 3.17Å; H324-H328 AromaticContact NE2-CE1 3.94Å; H324-H328 AromaticContact NE2-NE2 3.19Å; H324-H328 PolarHBondContact NE2-NE2 3.34Å; H324-H328 VanDerWaalsContact NE2-NE2 3.19Å; K325-H328 PolarHBondContact O-N 3.43Å; K325-H328 VanDerWaalsContact O-N 3.1Å; R326-H328 VanDerWaalsContact C-N 3.32Å; H328-G330 VanDerWaalsContact C-N 3.27Å; H328-G330 PolarHBondContact O-N 2.84Å
329	T	71	Confident	75.2	Confident	79 Å²	79	76 Å²	76	49%	0.485	39%	0.393	S	S	.	.	H	α-helix	trans	-77.9	-13.5	176.9	60.9	0	0	0	0	113.1	K325 E331	K325-T329 PolarHBondContact O-N 2.86Å; T329-E331 PolarHBondContact O-N 3.06Å; T329-E331 VanDerWaalsContact O-N 3.17Å; T329-E331 WeakPolarHBondContact OG1-CG 3.28Å; T329-E331 PolarHBondContact OG1-N 2.72Å
330	G	69.9	Low	75.2	Confident	50 Å²	50	74.6 Å²	74.6	52%	0.515	39%	0.39	S	S	.	.			trans	69.9	3.6	-175.2	0	0	0	0	0	114	R326 H328 R332	R326-G330 PolarHBondContact O-N 3.08Å; H328-G330 VanDerWaalsContact C-N 3.27Å; H328-G330 PolarHBondContact O-N 2.84Å; G330-R332 PolarHBondContact O-N 2.75Å
331	E	71.4	Confident	74.9	Confident	109 Å²	109	76.2 Å²	76.2	51%	0.509	40%	0.396	S	S	.	.			trans	-59	122.7	-179.5	-76.2	176.8	-166.5	0	0	111.4	R326 T329	R326-E331 PolarHBondContact O-N 2.83Å; T329-E331 PolarHBondContact O-N 3.06Å; T329-E331 VanDerWaalsContact O-N 3.17Å; T329-E331 WeakPolarHBondContact OG1-CG 3.28Å; T329-E331 PolarHBondContact OG1-N 2.72Å
332	R	73.8	Confident	74.9	Confident	143 Å²	143	76.2 Å²	76.2	54%	0.54	40%	0.399	S	S	.	.			trans	-125.9	78.2	175.6	-71	174.1	136.9	-164.5	-7.9	109.2	G330 Y334 A342 F343 Q344	G330-R332 PolarHBondContact O-N 2.75Å; R332-Y334 PolarHBondContact O-N 3.24Å; R332-A342 HydrophobicContact CB-CB 3.42Å; R332-A342 VanDerWaalsContact CB-CB 3.42Å; R332-A342 VanDerWaalsContact CD-O 3.28Å; R332-A342 WeakPolarHBondContact CD-O 3.41Å; R332-A342 HydrophobicContact CG-CB 4.37Å; R332-A342 PolarHBondContact NE-O 3.1Å; R332-A342 PolarHBondContact NH1-O 2.77Å; R332-F343 CarbonylContact C-O 3.55Å; R332-F343 WeakPolarHBondContact CA-O 3.48Å; R332-Q344 HydrophobicContact CG-CG 4.19Å
333	P	77.3	Confident	74.9	Confident	76 Å²	76	73.2 Å²	73.2	49%	0.494	38%	0.382	S	S	.	.			trans	-67.5	-9.2	-171.7	-21.2	34.1	0	0	0	114.7
334	Y	78.9	Confident	74.8	Confident	76 Å²	76	75.1 Å²	75.1	30%	0.298	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	93.6	-171.3	-56.3	-81.2	0	0	0	110.2	R332 A342 F343 P346	R332-Y334 PolarHBondContact O-N 3.24Å; Y334-A342 CarbonylContact O-C 3.34Å; Y334-A342 WeakPolarHBondContact O-CA 3.33Å; Y334-F343 WeakPolarHBondContact CD2-O 3.35Å; Y334-F343 PolarHBondContact N-O 3.03Å; Y334-F343 PolarHBondContact O-N 3.48Å; Y334-P346 HydrophobicContact CD1-CB 3.7Å; Y334-P346 HydrophobicContact CD1-CG 4.03Å; Y334-P346 HydrophobicContact CE1-CB 3.68Å; Y334-P346 HydrophobicContact CE1-CG 3.53Å; Y334-P346 HydrophobicContact CE2-CG 4.19Å; Y334-P346 HydrophobicContact CG-CB 4.25Å
335	E	77.8	Confident	74.6	Confident	128 Å²	128	77 Å²	77	60%	0.598	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	141.1	-178.4	-167.7	172.7	172.3	0	0	113	G340 A342	E335-G340 WeakPolarHBondContact OE1-CA 3.16Å; E335-A342 HydrophobicContact CB-CB 4.35Å; E335-A342 HydrophobicContact CG-CB 4.39Å
336	C	78.9	Confident	74.4	Confident	2 Å²	2	76.4 Å²	76.4	1%	0.014	40%	0.401	C	S	.	.			trans	-85.8	114.1	171.5	179.7	0	0	0	0	110.3	D338 C339 G340 K341 F343 L349 H352 H356	C336-D338 PolarHBondContact O-N 2.83Å; C336-C339 PolarHBondContact O-N 3.5Å; C336-G340 WeakPolarHBondContact O-CA 3.39Å; C336-G340 PolarHBondContact O-N 3.47Å; C336-K341 WeakPolarHBondContact CB-O 3.42Å; C336-K341 PolarHBondContact N-O 3.23Å; C336-F343 HydrophobicContact CB-CE2 4.31Å; C336-L349 HydrophobicContact CB-CD1 3.57Å; C336-H352 VanDerWaalsContact SG-CD2 3.53Å; C336-H356 VanDerWaalsContact SG-CD2 3.57Å; C336-H356 PolarHBondContact SG-NE2 3.49Å
337	H	74.9	Confident	74.4	Confident	187 Å²	187	77.1 Å²	77.1	87%	0.866	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-33.8	177.9	-169.9	-87.8	0	0	0	113.3
338	D	73.8	Confident	74.6	Confident	98 Å²	98	78.2 Å²	78.2	52%	0.524	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-20.9	-175.3	-52.9	-34.7	0	0	0	114.4	C336 H356	C336-D338 PolarHBondContact O-N 2.83Å; D338-H356 HydrophobicContact CB-CB 4.5Å; D338-H356 IonicContact OD2-CD2 3.71Å; D338-H356 PolarHBondContact OD2-CD2 3.21Å; D338-H356 IonicContact OD2-CG 3.65Å
339	C	73.4	Confident	74.9	Confident	56 Å²	56	76.2 Å²	76.2	38%	0.378	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.7	9.9	-177.4	75.3	0	0	0	0	115.7	C336 K341 H352 H356	C336-C339 PolarHBondContact O-N 3.5Å; C339-K341 PolarHBondContact O-N 3.17Å; C339-H352 PolarHBondContact SG-NE2 3.03Å; C339-H356 PolarHBondContact SG-NE2 2.72Å; C339-H356 VanDerWaalsContact SG-NE2 3.41Å
340	G	72.3	Confident	75.3	Confident	41 Å²	41	79.3 Å²	79.3	42%	0.423	41%	0.414	S	S	.	.			trans	65	7.4	178.3	0	0	0	0	0	114.9	E335 C336 A342	E335-G340 WeakPolarHBondContact OE1-CA 3.16Å; C336-G340 WeakPolarHBondContact O-CA 3.39Å; C336-G340 PolarHBondContact O-N 3.47Å; G340-A342 PolarHBondContact O-N 3.33Å
341	K	71.9	Confident	75.8	Confident	127 Å²	127	80.3 Å²	80.3	55%	0.552	41%	0.406	S	S	*	.			trans	-76.9	121.3	179.2	-76.5	-177.4	-178.3	173.6	0	110.3	C336 C339 F343	C336-K341 WeakPolarHBondContact CB-O 3.42Å; C336-K341 PolarHBondContact N-O 3.23Å; C339-K341 PolarHBondContact O-N 3.17Å; K341-F343 HydrophobicContact CB-CE2 3.97Å; K341-F343 HydrophobicContact CB-CZ 4.05Å; K341-F343 WeakPolarHBondContact O-CD2 3.28Å; K341-F343 WeakPolarHBondContact O-CE2 3.05Å
342	A	78.8	Confident	76.1	Confident	20 Å²	20	76.1 Å²	76.1	17%	0.165	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	144.2	177.7	0	0	0	0	0	113	R332 Y334 E335 G340	R332-A342 HydrophobicContact CB-CB 3.42Å; R332-A342 VanDerWaalsContact CB-CB 3.42Å; R332-A342 VanDerWaalsContact CD-O 3.28Å; R332-A342 WeakPolarHBondContact CD-O 3.41Å; R332-A342 HydrophobicContact CG-CB 4.37Å; R332-A342 PolarHBondContact NE-O 3.1Å; R332-A342 PolarHBondContact NH1-O 2.77Å; Y334-A342 CarbonylContact O-C 3.34Å; Y334-A342 WeakPolarHBondContact O-CA 3.33Å; E335-A342 HydrophobicContact CB-CB 4.35Å; E335-A342 HydrophobicContact CG-CB 4.39Å; G340-A342 PolarHBondContact O-N 3.33Å
343	F	77.5	Confident	76.4	Confident	36 Å²	36	71.6 Å²	71.6	16%	0.158	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	153.5	-175.6	-60.6	-87.6	0	0	0	111.4	R332 Y334 C336 K341 H345 H348 L349 H352	R332-F343 CarbonylContact C-O 3.55Å; R332-F343 WeakPolarHBondContact CA-O 3.48Å; Y334-F343 WeakPolarHBondContact CD2-O 3.35Å; Y334-F343 PolarHBondContact N-O 3.03Å; Y334-F343 PolarHBondContact O-N 3.48Å; C336-F343 HydrophobicContact CB-CE2 4.31Å; K341-F343 HydrophobicContact CB-CE2 3.97Å; K341-F343 HydrophobicContact CB-CZ 4.05Å; K341-F343 WeakPolarHBondContact O-CD2 3.28Å; K341-F343 WeakPolarHBondContact O-CE2 3.05Å; F343-H345 VanDerWaalsContact C-N 3.34Å; F343-H348 HydrophobicContact CB-CB 4.28Å; F343-H348 HydrophobicContact CD1-CB 3.96Å; F343-H348 HydrophobicContact CG-CB 4.33Å; F343-L349 HydrophobicContact CB-CB 4.41Å; F343-L349 HydrophobicContact CD2-CB 3.95Å; F343-L349 HydrophobicContact CD2-CD1 3.8Å; F343-L349 HydrophobicContact CD2-CG 4.49Å; F343-L349 HydrophobicContact CE2-CD1 4.01Å; F343-L349 HydrophobicContact CG-CB 4.38Å; F343-H352 HydrophobicContact CE1-CB 3.96Å; F343-H352 HydrophobicContact CE2-CB 3.72Å; F343-H352 AromaticContact CE2-CD2 3.48Å; F343-H352 VanDerWaalsContact CE2-CD2 3.48Å; F343-H352 WeakPolarHBondContact CE2-CD2 3.33Å; F343-H352 AromaticContact CE2-CG 3.5Å; F343-H352 HydrophobicContact CZ-CB 3.38Å; F343-H352 AromaticContact CZ-CD2 3.6Å; F343-H352 AromaticContact CZ-CG 3.15Å; F343-H352 AromaticContact CZ-ND1 3.46Å; F343-H352 WeakPolarHBondContact CZ-ND1 3.4Å
344	Q	69.3	Low	76.6	Confident	54 Å²	54	70.1 Å²	70.1	25%	0.252	36%	0.359	S	S	.	.	S	Bend	trans	-79	-19.2	177.8	-70.4	172.3	-13	0	0	113.3	R326 R332	R326-Q344 PolarHBondContact NH1-O 3.21Å; R326-Q344 VanDerWaalsContact NH1-O 3.11Å; R332-Q344 HydrophobicContact CG-CG 4.19Å
345	H	72.3	Confident	76.5	Confident	57 Å²	57	69.7 Å²	69.7	26%	0.264	36%	0.361	S	S	.	.	S	Bend	trans	-134.9	140.8	-176.5	-68.5	-62.5	0	0	0	111.9	A323 F343 S347 H348 L349	A323-H345 WeakPolarHBondContact CB-CE1 3.41Å; F343-H345 VanDerWaalsContact C-N 3.34Å; H345-S347 VanDerWaalsContact C-N 3.27Å; H345-S347 PolarHBondContact O-N 3.16Å; H345-H348 AromaticContact CD2-CE1 3.85Å; H345-H348 PolarHBondContact O-N 3.05Å; H345-L349 PolarHBondContact O-N 3.17Å
346	P	74.1	Confident	76.3	Confident	64 Å²	64	67.4 Å²	67.4	42%	0.416	35%	0.351	S	S	.	.	H	α-helix	trans	-67	-27.4	178.1	12.5	-11.7	0	0	0	112.8	Y334 H348 L349 K350	Y334-P346 HydrophobicContact CD1-CB 3.7Å; Y334-P346 HydrophobicContact CD1-CG 4.03Å; Y334-P346 HydrophobicContact CE1-CB 3.68Å; Y334-P346 HydrophobicContact CE1-CG 3.53Å; Y334-P346 HydrophobicContact CE2-CG 4.19Å; Y334-P346 HydrophobicContact CG-CB 4.25Å; P346-H348 VanDerWaalsContact C-N 3.34Å; P346-H348 PolarHBondContact O-N 3.19Å; P346-L349 PolarHBondContact O-N 3.19Å; P346-K350 WeakPolarHBondContact O-CB 3.46Å; P346-K350 PolarHBondContact O-N 2.77Å
347	S	77.1	Confident	76.1	Confident	74 Å²	74	70.7 Å²	70.7	52%	0.517	37%	0.371	S	S	.	.	H	α-helix	trans	-62.5	-39.7	173.6	52.2	0	0	0	0	112.5	H345 K350 E351	H345-S347 VanDerWaalsContact C-N 3.27Å; H345-S347 PolarHBondContact O-N 3.16Å; S347-K350 PolarHBondContact O-N 3.43Å; S347-E351 PolarHBondContact O-N 2.92Å
348	H	79	Confident	76.2	Confident	90 Å²	90	63.5 Å²	63.5	42%	0.417	35%	0.347	S	S	.	.	H	α-helix	trans	-72.1	-37	177.8	-63.4	167.9	0	0	0	111.6	F343 H345 P346 E351 H352	F343-H348 HydrophobicContact CB-CB 4.28Å; F343-H348 HydrophobicContact CD1-CB 3.96Å; F343-H348 HydrophobicContact CG-CB 4.33Å; H345-H348 AromaticContact CD2-CE1 3.85Å; H345-H348 PolarHBondContact O-N 3.05Å; P346-H348 VanDerWaalsContact C-N 3.34Å; P346-H348 PolarHBondContact O-N 3.19Å; H348-E351 PolarHBondContact O-N 3.4Å; H348-H352 WeakPolarHBondContact O-CB 3.2Å; H348-H352 PolarHBondContact O-N 2.97Å
349	L	79.3	Confident	76.4	Confident	33 Å²	33	63.9 Å²	63.9	17%	0.173	35%	0.346	C	S	.	.	H	α-helix	trans	-60.3	-48.8	170.7	174.4	61.3	0	0	0	110.5	C336 F343 H345 P346 E351 H352 V353	C336-L349 HydrophobicContact CB-CD1 3.57Å; F343-L349 HydrophobicContact CB-CB 4.41Å; F343-L349 HydrophobicContact CD2-CB 3.95Å; F343-L349 HydrophobicContact CD2-CD1 3.8Å; F343-L349 HydrophobicContact CD2-CG 4.49Å; F343-L349 HydrophobicContact CE2-CD1 4.01Å; F343-L349 HydrophobicContact CG-CB 4.38Å; H345-L349 PolarHBondContact O-N 3.17Å; P346-L349 PolarHBondContact O-N 3.19Å; L349-E351 VanDerWaalsContact C-N 3.31Å; L349-E351 PolarHBondContact O-N 3.48Å; L349-H352 WeakPolarHBondContact O-CA 3.49Å; L349-H352 WeakPolarHBondContact O-CB 3.16Å; L349-H352 PolarHBondContact O-N 3.37Å; L349-V353 HydrophobicContact CD1-CG2 4.02Å; L349-V353 HydrophobicContact CG-CG2 4.4Å; L349-V353 WeakPolarHBondContact O-CG2 3.41Å; L349-V353 PolarHBondContact O-N 2.94Å
350	K	79.3	Confident	76.8	Confident	145 Å²	145	67 Å²	67	63%	0.63	35%	0.353	S	S	*	.	H	α-helix	trans	-60.2	-38.6	177.9	-171.6	170.6	-174.2	168.7	0	112.7	P346 S347	P346-K350 WeakPolarHBondContact O-CB 3.46Å; P346-K350 PolarHBondContact O-N 2.77Å; S347-K350 PolarHBondContact O-N 3.43Å
351	E	80.1	Confident	77.3	Confident	71 Å²	71	68.3 Å²	68.3	33%	0.332	35%	0.354	S	S	.	.	H	α-helix	trans	-68.4	-39.1	173.4	-177.1	177.7	179.2	0	0	112.2	S347 H348 L349 R354 W373	S347-E351 PolarHBondContact O-N 2.92Å; H348-E351 PolarHBondContact O-N 3.4Å; L349-E351 VanDerWaalsContact C-N 3.31Å; L349-E351 PolarHBondContact O-N 3.48Å; E351-R354 WeakPolarHBondContact O-CB 3.35Å; E351-R354 PolarHBondContact O-N 3.23Å; E351-W373 VanDerWaalsContact OE1-CD1 3.25Å; E351-W373 PolarHBondContact OE1-NE1 3.2Å
352	H	79.3	Confident	77.9	Confident	21 Å²	21	65.3 Å²	65.3	10%	0.097	34%	0.34	C	S	.	.	H	α-helix	trans	-65.5	-42.7	178.8	170.1	76.8	0	0	0	112.5	C336 C339 F343 H348 L349 R354 N355 H356	C336-H352 VanDerWaalsContact SG-CD2 3.53Å; C339-H352 PolarHBondContact SG-NE2 3.03Å; F343-H352 HydrophobicContact CE1-CB 3.96Å; F343-H352 HydrophobicContact CE2-CB 3.72Å; F343-H352 AromaticContact CE2-CD2 3.48Å; F343-H352 VanDerWaalsContact CE2-CD2 3.48Å; F343-H352 WeakPolarHBondContact CE2-CD2 3.33Å; F343-H352 AromaticContact CE2-CG 3.5Å; F343-H352 HydrophobicContact CZ-CB 3.38Å; F343-H352 AromaticContact CZ-CD2 3.6Å; F343-H352 AromaticContact CZ-CG 3.15Å; F343-H352 AromaticContact CZ-ND1 3.46Å; F343-H352 WeakPolarHBondContact CZ-ND1 3.4Å; H348-H352 WeakPolarHBondContact O-CB 3.2Å; H348-H352 PolarHBondContact O-N 2.97Å; L349-H352 WeakPolarHBondContact O-CA 3.49Å; L349-H352 WeakPolarHBondContact O-CB 3.16Å; L349-H352 PolarHBondContact O-N 3.37Å; H352-R354 PolarHBondContact O-N 3.49Å; H352-R354 VanDerWaalsContact O-N 3.17Å; H352-N355 WeakPolarHBondContact O-CB 3.39Å; H352-N355 PolarHBondContact O-N 3.34Å; H352-N355 PolarHBondContact O-ND2 3.11Å; H352-N355 VanDerWaalsContact O-ND2 3.08Å; H352-H356 AromaticContact CD2-NE2 3.8Å; H352-H356 AromaticContact CE1-NE2 3.79Å; H352-H356 AromaticContact NE2-CE1 3.81Å; H352-H356 AromaticContact NE2-NE2 3.08Å; H352-H356 PolarHBondContact NE2-NE2 3.48Å
353	V	78.9	Confident	78.2	Confident	47 Å²	47	67.3 Å²	67.3	29%	0.285	36%	0.356	S	S	.	.	H	α-helix	trans	-57.5	-30.1	178.6	169.7	0	0	0	0	111.6	L349 N355 H356 T357	L349-V353 HydrophobicContact CD1-CG2 4.02Å; L349-V353 HydrophobicContact CG-CG2 4.4Å; L349-V353 WeakPolarHBondContact O-CG2 3.41Å; L349-V353 PolarHBondContact O-N 2.94Å; V353-N355 PolarHBondContact O-N 3.39Å; V353-H356 PolarHBondContact O-N 3.27Å; V353-T357 HydrophobicContact CG1-CG2 4.03Å; V353-T357 PolarHBondContact O-N 3.45Å; V353-T357 VanDerWaalsContact O-N 3.12Å
354	R	81.8	Confident	78.4	Confident	45 Å²	45	65.8 Å²	65.8	17%	0.17	35%	0.35	C	S	.	.	H	α-helix	trans	-60.6	-17.7	173	-59.9	174.6	-178.7	163.8	1.9	113.7	E351 H352 G358 E359 R372	E351-R354 WeakPolarHBondContact O-CB 3.35Å; E351-R354 PolarHBondContact O-N 3.23Å; H352-R354 PolarHBondContact O-N 3.49Å; H352-R354 VanDerWaalsContact O-N 3.17Å; R354-G358 PolarHBondContact O-N 3.12Å; R354-E359 HydrophobicContact CG-CB 4.4Å; R354-R372 HydrophobicContact CB-CG 3.82Å; R354-R372 PolarHBondContact NH1-O 3.32Å; R354-R372 PolarHBondContact O-NE 3.19Å; R354-R372 PolarHBondContact O-NH2 3.45Å
355	N	76.4	Confident	78.9	Confident	67 Å²	67	70.1 Å²	70.1	36%	0.358	38%	0.38	S	S	.	.	H	α-helix	trans	-70.6	-34.4	173.5	-62	-44.5	0	0	0	112.4	H352 V353 R372	H352-N355 WeakPolarHBondContact O-CB 3.39Å; H352-N355 PolarHBondContact O-N 3.34Å; H352-N355 PolarHBondContact O-ND2 3.11Å; H352-N355 VanDerWaalsContact O-ND2 3.08Å; V353-N355 PolarHBondContact O-N 3.39Å; N355-R372 WeakPolarHBondContact OD1-CD 3.36Å; N355-R372 PolarHBondContact OD1-NH1 3.17Å
356	H	74	Confident	78.9	Confident	80 Å²	80	74 Å²	74	37%	0.37	40%	0.399	S	S	.	.	H	α-helix	trans	-82.2	-48.2	179.1	-53.3	-48.8	0	0	0	110.9	C336 D338 C339 H352 V353 G358	C336-H356 VanDerWaalsContact SG-CD2 3.57Å; C336-H356 PolarHBondContact SG-NE2 3.49Å; D338-H356 HydrophobicContact CB-CB 4.5Å; D338-H356 IonicContact OD2-CD2 3.71Å; D338-H356 PolarHBondContact OD2-CD2 3.21Å; D338-H356 IonicContact OD2-CG 3.65Å; C339-H356 PolarHBondContact SG-NE2 2.72Å; C339-H356 VanDerWaalsContact SG-NE2 3.41Å; H352-H356 AromaticContact CD2-NE2 3.8Å; H352-H356 AromaticContact CE1-NE2 3.79Å; H352-H356 AromaticContact NE2-CE1 3.81Å; H352-H356 AromaticContact NE2-NE2 3.08Å; H352-H356 PolarHBondContact NE2-NE2 3.48Å; V353-H356 PolarHBondContact O-N 3.27Å; H356-G358 PolarHBondContact O-N 3.39Å
357	T	75.5	Confident	79	Confident	72 Å²	72	73.6 Å²	73.6	44%	0.442	40%	0.397	S	S	.	.	H	α-helix	trans	-74.7	-12.3	-176.7	64.2	0	0	0	0	113.8	V353 E359	V353-T357 HydrophobicContact CG1-CG2 4.03Å; V353-T357 PolarHBondContact O-N 3.45Å; V353-T357 VanDerWaalsContact O-N 3.12Å; T357-E359 PolarHBondContact O-N 3.43Å; T357-E359 VanDerWaalsContact O-N 3.12Å; T357-E359 WeakPolarHBondContact OG1-CG 3.35Å
358	G	76.3	Confident	79	Confident	36 Å²	36	73 Å²	73	37%	0.371	40%	0.403	S	S	.	.			trans	71.4	1.2	-177.4	0	0	0	0	0	114.4	R354 H356 K360	R354-G358 PolarHBondContact O-N 3.12Å; H356-G358 PolarHBondContact O-N 3.39Å; G358-K360 PolarHBondContact O-N 2.88Å
359	E	78.5	Confident	78.8	Confident	106 Å²	106	74.8 Å²	74.8	50%	0.495	41%	0.409	S	S	.	.			trans	-54.6	131	-177	-78.6	177.1	-160.8	0	0	112.4	R354 T357	R354-E359 HydrophobicContact CG-CB 4.4Å; T357-E359 PolarHBondContact O-N 3.43Å; T357-E359 VanDerWaalsContact O-N 3.12Å; T357-E359 WeakPolarHBondContact OG1-CG 3.35Å
360	K	82	Confident	79	Confident	120 Å²	120	75 Å²	75	52%	0.522	42%	0.416	S	S	.	.			trans	-126.4	77	176.2	-69.6	168.4	-178.4	178.1	0	109.9	G358 Y362 A370 F371	G358-K360 PolarHBondContact O-N 2.88Å; K360-Y362 PolarHBondContact O-N 3.06Å; K360-A370 HydrophobicContact CB-CB 3.59Å; K360-A370 HydrophobicContact CD-CB 4.1Å; K360-A370 HydrophobicContact CG-CB 4.46Å; K360-F371 CarbonylContact C-O 3.34Å; K360-F371 WeakPolarHBondContact CA-O 3.38Å
361	P	83.1	Confident	79.1	Confident	69 Å²	69	70.2 Å²	70.2	45%	0.448	40%	0.395	S	S	.	.			trans	-64.9	-13.1	-171.9	-22.3	34.5	0	0	0	114.6
362	Y	84.4	Confident	79	Confident	64 Å²	64	70 Å²	70	25%	0.251	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	87.2	-173.3	-52.2	-75.9	0	0	0	110.4	K360 A370 F371 K374 F377	K360-Y362 PolarHBondContact O-N 3.06Å; Y362-A370 CarbonylContact O-C 3.58Å; Y362-A370 WeakPolarHBondContact O-CA 3.41Å; Y362-F371 WeakPolarHBondContact CD2-O 3.34Å; Y362-F371 PolarHBondContact N-O 3.02Å; Y362-F371 PolarHBondContact O-N 3.23Å; Y362-K374 HydrophobicContact CD1-CB 4.22Å; Y362-K374 HydrophobicContact CD1-CG 4.32Å; Y362-K374 HydrophobicContact CD2-CB 4.46Å; Y362-K374 HydrophobicContact CE1-CB 3.78Å; Y362-K374 HydrophobicContact CE1-CD 4.28Å; Y362-K374 HydrophobicContact CE1-CG 3.99Å; Y362-K374 HydrophobicContact CE2-CB 4.04Å; Y362-K374 VanDerWaalsContact CE2-N 3.33Å; Y362-F377 HydrophobicContact CG-CB 4.25Å
363	A	83.6	Confident	79	Confident	62 Å²	62	73.6 Å²	73.6	51%	0.512	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	135.1	176.8	0	0	0	0	0	112	A370 F377	A363-A370 HydrophobicContact CB-CB 4.3Å; A363-F377 VanDerWaalsContact O-CE2 3.3Å; A363-F377 WeakPolarHBondContact O-CE2 3.37Å
364	C	82.3	Confident	78.9	Confident	5 Å²	5	77.3 Å²	77.3	3%	0.034	42%	0.417	C	S	.	.			trans	-83.3	116.4	170.3	-175.5	0	0	0	0	110.3	Q366 G368 K369 F377 H380 H384	C364-Q366 PolarHBondContact O-N 3.44Å; C364-G368 WeakPolarHBondContact O-CA 3.5Å; C364-G368 PolarHBondContact O-N 3.09Å; C364-K369 WeakPolarHBondContact CB-O 3.15Å; C364-K369 PolarHBondContact N-O 3.23Å; C364-F377 HydrophobicContact CB-CE2 4.03Å; C364-H380 WeakPolarHBondContact CB-NE2 3.46Å; C364-H380 PolarHBondContact SG-NE2 2.79Å; C364-H384 PolarHBondContact SG-CD2 3.3Å; C364-H384 PolarHBondContact SG-NE2 2.84Å
365	T	79.2	Confident	78.6	Confident	144 Å²	144	78.9 Å²	78.9	88%	0.883	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-27.8	176.9	52.4	0	0	0	0	112.8
366	Q	73.2	Confident	78.7	Confident	140 Å²	140	78.9 Å²	78.9	65%	0.654	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-25.7	-177.1	-67.4	-169.1	-11.1	0	0	114.7	C364	C364-Q366 PolarHBondContact O-N 3.44Å
367	C	76.3	Confident	79	Confident	54 Å²	54	76.8 Å²	76.8	37%	0.365	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.2	12.1	-178.7	80.7	0	0	0	0	114.3	K369 H380 H384	C367-K369 PolarHBondContact O-N 2.93Å; C367-H380 PolarHBondContact SG-CE1 3.42Å; C367-H380 PolarHBondContact SG-NE2 3.02Å; C367-H384 VanDerWaalsContact SG-CE1 3.54Å; C367-H384 PolarHBondContact SG-NE2 3.47Å; C367-H384 VanDerWaalsContact SG-NE2 3.44Å
368	G	75.8	Confident	79	Confident	63 Å²	63	76.7 Å²	76.7	65%	0.649	42%	0.421	S	S	*	.			trans	65.4	0.3	179.3	0	0	0	0	0	115.8	C364 A370	C364-G368 WeakPolarHBondContact O-CA 3.5Å; C364-G368 PolarHBondContact O-N 3.09Å; G368-A370 PolarHBondContact O-N 2.78Å
369	K	75.9	Confident	78.8	Confident	126 Å²	126	77.9 Å²	77.9	55%	0.548	42%	0.419	S	S	.	.			trans	-73.9	123.2	-177	-74.4	179.4	-177.3	169.7	0	110.3	C364 C367 F371	C364-K369 WeakPolarHBondContact CB-O 3.15Å; C364-K369 PolarHBondContact N-O 3.23Å; C367-K369 PolarHBondContact O-N 2.93Å; K369-F371 HydrophobicContact CB-CE2 3.75Å; K369-F371 HydrophobicContact CB-CZ 3.95Å; K369-F371 WeakPolarHBondContact O-CD2 3.4Å; K369-F371 VanDerWaalsContact O-CE2 3.26Å; K369-F371 WeakPolarHBondContact O-CE2 3.5Å
370	A	83.5	Confident	78.6	Confident	39 Å²	39	73.9 Å²	73.9	32%	0.322	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	140.4	176.7	0	0	0	0	0	112.2	K360 Y362 A363 G368	K360-A370 HydrophobicContact CB-CB 3.59Å; K360-A370 HydrophobicContact CD-CB 4.1Å; K360-A370 HydrophobicContact CG-CB 4.46Å; Y362-A370 CarbonylContact O-C 3.58Å; Y362-A370 WeakPolarHBondContact O-CA 3.41Å; A363-A370 HydrophobicContact CB-CB 4.3Å; G368-A370 PolarHBondContact O-N 2.78Å
371	F	81.6	Confident	78.2	Confident	43 Å²	43	74 Å²	74	19%	0.189	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.5	-177	-59.9	-93.6	0	0	0	110.5	K360 Y362 K369 N376 F377 H380	K360-F371 CarbonylContact C-O 3.34Å; K360-F371 WeakPolarHBondContact CA-O 3.38Å; Y362-F371 WeakPolarHBondContact CD2-O 3.34Å; Y362-F371 PolarHBondContact N-O 3.02Å; Y362-F371 PolarHBondContact O-N 3.23Å; K369-F371 HydrophobicContact CB-CE2 3.75Å; K369-F371 HydrophobicContact CB-CZ 3.95Å; K369-F371 WeakPolarHBondContact O-CD2 3.4Å; K369-F371 VanDerWaalsContact O-CE2 3.26Å; K369-F371 WeakPolarHBondContact O-CE2 3.5Å; F371-N376 HydrophobicContact CB-CB 4.5Å; F371-N376 HydrophobicContact CD1-CB 4Å; F371-F377 HydrophobicContact CB-CB 4.06Å; F371-F377 HydrophobicContact CD2-CB 4.16Å; F371-F377 AromaticContact CD2-CD2 3.92Å; F371-F377 HydrophobicContact CD2-CD2 3.92Å; F371-F377 HydrophobicContact CE2-CD2 4.48Å; F371-F377 HydrophobicContact CG-CB 4.24Å; F371-H380 HydrophobicContact CD2-CB 4.45Å; F371-H380 HydrophobicContact CE1-CB 3.82Å; F371-H380 HydrophobicContact CE2-CB 3.68Å; F371-H380 AromaticContact CE2-CD2 3.14Å; F371-H380 WeakPolarHBondContact CE2-CD2 3.39Å; F371-H380 AromaticContact CE2-CG 3.34Å; F371-H380 AromaticContact CE2-NE2 3.73Å; F371-H380 HydrophobicContact CZ-CB 3.32Å; F371-H380 AromaticContact CZ-CD2 3.43Å; F371-H380 VanDerWaalsContact CZ-CD2 3.43Å; F371-H380 WeakPolarHBondContact CZ-CD2 3.27Å; F371-H380 AromaticContact CZ-CE1 3.97Å; F371-H380 AromaticContact CZ-CG 3.09Å; F371-H380 AromaticContact CZ-ND1 3.49Å; F371-H380 WeakPolarHBondContact CZ-ND1 3.47Å; F371-H380 AromaticContact CZ-NE2 3.92Å
372	R	78.3	Confident	77.6	Confident	67 Å²	67	75.6 Å²	75.6	25%	0.253	40%	0.4	S	S	.	.	S	Bend	trans	-73.8	-30.6	176.2	-173.3	172.5	-73.5	159	-4.1	112.8	R354 N355	R354-R372 HydrophobicContact CB-CG 3.82Å; R354-R372 PolarHBondContact NH1-O 3.32Å; R354-R372 PolarHBondContact O-NE 3.19Å; R354-R372 PolarHBondContact O-NH2 3.45Å; N355-R372 WeakPolarHBondContact OD1-CD 3.36Å; N355-R372 PolarHBondContact OD1-NH1 3.17Å
373	W	78.6	Confident	76.6	Confident	96 Å²	96	77.1 Å²	77.1	36%	0.364	41%	0.413	S	S	.	.	S	Bend	trans	-122.1	138.5	-173.5	-54.2	-25	0	0	0	111.8	E351 S375 N376 F377	E351-W373 VanDerWaalsContact OE1-CD1 3.25Å; E351-W373 PolarHBondContact OE1-NE1 3.2Å; W373-S375 VanDerWaalsContact C-N 3.28Å; W373-S375 PolarHBondContact O-N 3.31Å; W373-N376 HydrophobicContact CB-CB 4.45Å; W373-N376 VanDerWaalsContact CE3-ND2 3.28Å; W373-N376 PolarHBondContact O-N 2.81Å; W373-F377 PolarHBondContact O-N 3.35Å
374	K	77.5	Confident	75.7	Confident	126 Å²	126	77 Å²	77	55%	0.548	40%	0.401	S	S	.	.	H	α-helix	trans	-61	-35.7	178.6	-169.3	175.4	-179.5	176.5	0	112.5	Y362 F377 N378	Y362-K374 HydrophobicContact CD1-CB 4.22Å; Y362-K374 HydrophobicContact CD1-CG 4.32Å; Y362-K374 HydrophobicContact CD2-CB 4.46Å; Y362-K374 HydrophobicContact CE1-CB 3.78Å; Y362-K374 HydrophobicContact CE1-CD 4.28Å; Y362-K374 HydrophobicContact CE1-CG 3.99Å; Y362-K374 HydrophobicContact CE2-CB 4.04Å; Y362-K374 VanDerWaalsContact CE2-N 3.33Å; K374-F377 PolarHBondContact O-N 2.81Å; K374-N378 WeakPolarHBondContact O-CB 3.41Å; K374-N378 PolarHBondContact O-N 2.97Å; K374-N378 PolarHBondContact O-ND2 3.12Å
375	S	75.8	Confident	74.7	Confident	77 Å²	77	82.3 Å²	82.3	54%	0.538	43%	0.427	S	S	.	.	H	α-helix	trans	-61.4	-45.7	176.6	49.5	0	0	0	0	112.1	W373 N378 L379	W373-S375 VanDerWaalsContact C-N 3.28Å; W373-S375 PolarHBondContact O-N 3.31Å; S375-N378 PolarHBondContact O-N 2.82Å; S375-L379 WeakPolarHBondContact O-CB 3.37Å; S375-L379 PolarHBondContact O-N 2.92Å
376	N	77.5	Confident	73.6	Confident	67 Å²	67	82.1 Å²	82.1	36%	0.358	43%	0.425	S	S	.	.	H	α-helix	trans	-68.3	-39.5	177.3	-67.3	-11	0	0	0	111.6	F371 W373 L379 H380	F371-N376 HydrophobicContact CB-CB 4.5Å; F371-N376 HydrophobicContact CD1-CB 4Å; W373-N376 HydrophobicContact CB-CB 4.45Å; W373-N376 VanDerWaalsContact CE3-ND2 3.28Å; W373-N376 PolarHBondContact O-N 2.81Å; N376-L379 PolarHBondContact O-N 3.4Å; N376-H380 VanDerWaalsContact O-CB 3.27Å; N376-H380 WeakPolarHBondContact O-CB 3.36Å; N376-H380 PolarHBondContact O-N 3.23Å
377	F	80.1	Confident	72.8	Confident	36 Å²	36	82.4 Å²	82.4	16%	0.158	43%	0.427	C	S	.	.	H	α-helix	trans	-61.1	-46.5	172.7	172.3	-109	0	0	0	112.1	Y362 A363 C364 F371 W373 K374 L379 H380 K381	Y362-F377 HydrophobicContact CG-CB 4.25Å; A363-F377 VanDerWaalsContact O-CE2 3.3Å; A363-F377 WeakPolarHBondContact O-CE2 3.37Å; C364-F377 HydrophobicContact CB-CE2 4.03Å; F371-F377 HydrophobicContact CB-CB 4.06Å; F371-F377 HydrophobicContact CD2-CB 4.16Å; F371-F377 AromaticContact CD2-CD2 3.92Å; F371-F377 HydrophobicContact CD2-CD2 3.92Å; F371-F377 HydrophobicContact CE2-CD2 4.48Å; F371-F377 HydrophobicContact CG-CB 4.24Å; W373-F377 PolarHBondContact O-N 3.35Å; K374-F377 PolarHBondContact O-N 2.81Å; F377-L379 VanDerWaalsContact C-N 3.35Å; F377-L379 PolarHBondContact O-N 3.23Å; F377-H380 CarbonylContact O-C 3.55Å; F377-H380 WeakPolarHBondContact O-CB 3.46Å; F377-H380 PolarHBondContact O-N 3.14Å; F377-K381 HydrophobicContact CE1-CD 4.46Å; F377-K381 HydrophobicContact CZ-CD 4.47Å; F377-K381 WeakPolarHBondContact O-CB 3.45Å; F377-K381 PolarHBondContact O-N 3.17Å
378	N	76.1	Confident	71.8	Confident	70 Å²	70	86.4 Å²	86.4	37%	0.374	44%	0.438	S	S	.	.	H	α-helix	trans	-63.1	-41.9	177.7	-73.7	-16.4	0	0	0	111.6	K374 S375 H380 K381 K382	K374-N378 WeakPolarHBondContact O-CB 3.41Å; K374-N378 PolarHBondContact O-N 2.97Å; K374-N378 PolarHBondContact O-ND2 3.12Å; S375-N378 PolarHBondContact O-N 2.82Å; N378-H380 VanDerWaalsContact C-N 3.32Å; N378-K381 PolarHBondContact O-N 2.94Å; N378-K382 WeakPolarHBondContact O-CG 3.01Å; N378-K382 PolarHBondContact O-N 3.42Å; N378-K382 VanDerWaalsContact O-N 3.07Å
379	L	70.9	Confident	71.1	Confident	62 Å²	62	87.5 Å²	87.5	33%	0.325	43%	0.432	S	S	.	.	H	α-helix	trans	-60.7	-43.6	173.3	174.7	60.3	0	0	0	111.3	S375 N376 F377 K382 N383 D401	S375-L379 WeakPolarHBondContact O-CB 3.37Å; S375-L379 PolarHBondContact O-N 2.92Å; N376-L379 PolarHBondContact O-N 3.4Å; F377-L379 VanDerWaalsContact C-N 3.35Å; F377-L379 PolarHBondContact O-N 3.23Å; L379-K382 PolarHBondContact O-N 2.97Å; L379-N383 PolarHBondContact O-N 3.34Å; L379-N383 PolarHBondContact O-ND2 3.44Å; L379-D401 HydrophobicContact CD1-CB 4.18Å; L379-D401 WeakPolarHBondContact CD1-OD2 3.47Å
380	H	74.9	Confident	70.7	Confident	21 Å²	21	85.6 Å²	85.6	10%	0.097	42%	0.422	C	S	.	.	H	α-helix	trans	-65.1	-43.2	177	170.1	71.5	0	0	0	112.4	C364 C367 F371 N376 F377 N378 K382 N383 H384	C364-H380 WeakPolarHBondContact CB-NE2 3.46Å; C364-H380 PolarHBondContact SG-NE2 2.79Å; C367-H380 PolarHBondContact SG-CE1 3.42Å; C367-H380 PolarHBondContact SG-NE2 3.02Å; F371-H380 HydrophobicContact CD2-CB 4.45Å; F371-H380 HydrophobicContact CE1-CB 3.82Å; F371-H380 HydrophobicContact CE2-CB 3.68Å; F371-H380 AromaticContact CE2-CD2 3.14Å; F371-H380 WeakPolarHBondContact CE2-CD2 3.39Å; F371-H380 AromaticContact CE2-CG 3.34Å; F371-H380 AromaticContact CE2-NE2 3.73Å; F371-H380 HydrophobicContact CZ-CB 3.32Å; F371-H380 AromaticContact CZ-CD2 3.43Å; F371-H380 VanDerWaalsContact CZ-CD2 3.43Å; F371-H380 WeakPolarHBondContact CZ-CD2 3.27Å; F371-H380 AromaticContact CZ-CE1 3.97Å; F371-H380 AromaticContact CZ-CG 3.09Å; F371-H380 AromaticContact CZ-ND1 3.49Å; F371-H380 WeakPolarHBondContact CZ-ND1 3.47Å; F371-H380 AromaticContact CZ-NE2 3.92Å; N376-H380 VanDerWaalsContact O-CB 3.27Å; N376-H380 WeakPolarHBondContact O-CB 3.36Å; N376-H380 PolarHBondContact O-N 3.23Å; F377-H380 CarbonylContact O-C 3.55Å; F377-H380 WeakPolarHBondContact O-CB 3.46Å; F377-H380 PolarHBondContact O-N 3.14Å; N378-H380 VanDerWaalsContact C-N 3.32Å; H380-K382 PolarHBondContact O-N 2.82Å; H380-N383 WeakPolarHBondContact O-CB 3.32Å; H380-N383 PolarHBondContact O-N 3.2Å; H380-H384 AromaticContact CD2-NE2 3.76Å; H380-H384 AromaticContact CE1-CE1 3.75Å; H380-H384 AromaticContact CE1-NE2 3.22Å; H380-H384 PolarHBondContact CE1-NE2 3.4Å; H380-H384 AromaticContact NE2-CD2 3.79Å; H380-H384 AromaticContact NE2-CE1 3.85Å; H380-H384 AromaticContact NE2-NE2 2.94Å; H380-H384 PolarHBondContact NE2-NE2 2.82Å
381	K	73.9	Confident	70	Confident	124 Å²	124	88.8 Å²	88.8	54%	0.539	43%	0.431	S	S	.	.	H	α-helix	trans	-58.7	-38	176.8	-173.1	177.2	178.5	179.2	0	111.4	F377 N378 N383 H384	F377-K381 HydrophobicContact CE1-CD 4.46Å; F377-K381 HydrophobicContact CZ-CD 4.47Å; F377-K381 WeakPolarHBondContact O-CB 3.45Å; F377-K381 PolarHBondContact O-N 3.17Å; N378-K381 PolarHBondContact O-N 2.94Å; K381-N383 PolarHBondContact O-N 3.48Å; K381-H384 PolarHBondContact O-N 3.39Å; K381-H384 VanDerWaalsContact O-N 3.14Å
382	K	69.4	Low	69.7	Low	101 Å²	101	86.8 Å²	86.8	44%	0.439	42%	0.422	S	S	.	.	H	α-helix	trans	-64.2	-22.5	174	-72.2	-179.9	179.5	-166.6	0	113.9	N378 L379 H380 H384 M385	N378-K382 WeakPolarHBondContact O-CG 3.01Å; N378-K382 PolarHBondContact O-N 3.42Å; N378-K382 VanDerWaalsContact O-N 3.07Å; L379-K382 PolarHBondContact O-N 2.97Å; H380-K382 PolarHBondContact O-N 2.82Å; K382-H384 VanDerWaalsContact C-N 3.31Å; K382-M385 PolarHBondContact O-N 3.23Å
383	N	63.4	Low	69.4	Low	97 Å²	97	93 Å²	93	52%	0.519	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-15.5	175.5	-63.9	-45.1	0	0	0	113.4	L379 H380 K381	L379-N383 PolarHBondContact O-N 3.34Å; L379-N383 PolarHBondContact O-ND2 3.44Å; H380-N383 WeakPolarHBondContact O-CB 3.32Å; H380-N383 PolarHBondContact O-N 3.2Å; K381-N383 PolarHBondContact O-N 3.48Å
384	H	66.3	Low	68.8	Low	58 Å²	58	94.1 Å²	94.1	27%	0.269	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-13.8	171.4	-60.7	-58.9	0	0	0	112.9	C364 C367 H380 K381 K382 V386	C364-H384 PolarHBondContact SG-CD2 3.3Å; C364-H384 PolarHBondContact SG-NE2 2.84Å; C367-H384 VanDerWaalsContact SG-CE1 3.54Å; C367-H384 PolarHBondContact SG-NE2 3.47Å; C367-H384 VanDerWaalsContact SG-NE2 3.44Å; H380-H384 AromaticContact CD2-NE2 3.76Å; H380-H384 AromaticContact CE1-CE1 3.75Å; H380-H384 AromaticContact CE1-NE2 3.22Å; H380-H384 PolarHBondContact CE1-NE2 3.4Å; H380-H384 AromaticContact NE2-CD2 3.79Å; H380-H384 AromaticContact NE2-CE1 3.85Å; H380-H384 AromaticContact NE2-NE2 2.94Å; H380-H384 PolarHBondContact NE2-NE2 2.82Å; K381-H384 PolarHBondContact O-N 3.39Å; K381-H384 VanDerWaalsContact O-N 3.14Å; K382-H384 VanDerWaalsContact C-N 3.31Å; H384-V386 PolarHBondContact O-N 3.02Å
385	M	61.5	Low	68.6	Low	117 Å²	117	90.5 Å²	90.5	58%	0.576	45%	0.45	S	S	*	.	S	Bend	trans	-72.7	110	167.7	-59.1	-177.5	72.8	0	0	106.6	K382 E387	K382-M385 PolarHBondContact O-N 3.23Å; M385-E387 CarbonylContact O-C 3.48Å; M385-E387 PolarHBondContact O-N 3.35Å; M385-E387 VanDerWaalsContact O-N 3.09Å
386	V	54.3	Low	68.2	Low	140 Å²	140	88.8 Å²	88.8	85%	0.848	45%	0.445	S	S	*	.	S	Bend	trans	-59.4	-21.1	-174.8	175.8	0	0	0	0	112	H384 K388	H384-V386 PolarHBondContact O-N 3.02Å; V386-K388 PolarHBondContact O-N 3.43Å
387	E	56.3	Low	67.7	Low	147 Å²	147	91.5 Å²	91.5	69%	0.687	45%	0.453	S	S	*	.			trans	-72.7	90.1	167.3	-71.3	-169.1	148.9	0	0	111.2	M385 T389	M385-E387 CarbonylContact O-C 3.48Å; M385-E387 PolarHBondContact O-N 3.35Å; M385-E387 VanDerWaalsContact O-N 3.09Å; E387-T389 HydrophobicContact CB-CG2 4.05Å; E387-T389 PolarHBondContact O-N 2.85Å
388	K	56	Low	67.1	Low	137 Å²	137	91.9 Å²	91.9	60%	0.596	46%	0.46	S	S	*	.			trans	-68.4	75.4	160.8	-57.3	179.9	-170.1	166	0	109	V386 Y390	V386-K388 PolarHBondContact O-N 3.43Å; K388-Y390 PolarHBondContact O-N 2.94Å; K388-Y390 VanDerWaalsContact O-N 3.11Å
389	T	62.2	Low	67	Low	87 Å²	87	90.6 Å²	90.6	53%	0.534	45%	0.451	S	S	.	.			trans	-59.5	-22.4	-173.9	35.9	0	0	0	0	114.3	E387	E387-T389 HydrophobicContact CB-CG2 4.05Å; E387-T389 PolarHBondContact O-N 2.85Å
390	Y	66.6	Low	66.8	Low	86 Å²	86	88.1 Å²	88.1	34%	0.337	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	87.1	-175	-56.8	-73.9	0	0	0	111.7	K388 F399 D401 L402	K388-Y390 PolarHBondContact O-N 2.94Å; K388-Y390 VanDerWaalsContact O-N 3.11Å; Y390-F399 PolarHBondContact N-O 3.04Å; Y390-F399 PolarHBondContact O-N 2.54Å; Y390-D401 VanDerWaalsContact CD2-C 3.44Å; Y390-D401 VanDerWaalsContact CD2-CA 3.48Å; Y390-L402 HydrophobicContact CD1-CB 4Å; Y390-L402 HydrophobicContact CD1-CD1 3.95Å; Y390-L402 HydrophobicContact CE1-CB 3.87Å; Y390-L402 HydrophobicContact CE1-CD1 4.25Å; Y390-L402 HydrophobicContact CE1-CG 4.49Å; Y390-L402 HydrophobicContact CE2-CB 4.47Å; Y390-L402 HydrophobicContact CG-CB 4.35Å
391	E	67.9	Low	66.5	Low	106 Å²	106	88.1 Å²	88.1	50%	0.495	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	137.2	173.6	-168.6	177.3	168.8	0	0	112.7	K393 G396 R405	E391-K393 PolarHBondContact O-N 3.33Å; E391-G396 WeakPolarHBondContact OE1-CA 3.2Å; E391-R405 WeakPolarHBondContact O-CD 3.34Å; E391-R405 PolarHBondContact O-NH1 2.94Å
392	C	76	Confident	66.3	Low	0 Å²	0	85.1 Å²	85.1	0%	0	43%	0.431	C	S	.	.			trans	-79.1	110.4	166.4	177.8	0	0	0	0	110.1	E394 C395 G396 K397 F399 H408 M409 H412	C392-E394 PolarHBondContact O-N 3.43Å; C392-E394 VanDerWaalsContact O-N 3.14Å; C392-C395 PolarHBondContact O-N 2.75Å; C392-G396 WeakPolarHBondContact O-CA 3.26Å; C392-G396 PolarHBondContact O-N 3.27Å; C392-K397 HydrophobicContact CB-CB 4.48Å; C392-K397 VanDerWaalsContact CB-O 3.27Å; C392-K397 WeakPolarHBondContact CB-O 3.46Å; C392-K397 PolarHBondContact N-O 3.41Å; C392-F399 HydrophobicContact CB-CE2 4.15Å; C392-H408 PolarHBondContact SG-NE2 3.34Å; C392-M409 HydrophobicContact CB-SD 4.28Å; C392-M409 PolarHBondContact SG-SD 3.46Å; C392-H412 PolarHBondContact SG-CD2 3.4Å; C392-H412 PolarHBondContact SG-NE2 3.47Å
393	K	72	Confident	66.5	Low	197 Å²	197	84 Å²	84	86%	0.857	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.5	178.6	-63.6	-170.9	174.7	-171.3	0	114.1	E391	E391-K393 PolarHBondContact O-N 3.33Å
394	E	66.8	Low	66.9	Low	120 Å²	120	81 Å²	81	56%	0.561	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-22	-177.1	-67	-175.2	-133.5	0	0	114.2	C392 M409 H412	C392-E394 PolarHBondContact O-N 3.43Å; C392-E394 VanDerWaalsContact O-N 3.14Å; E394-M409 HydrophobicContact CG-CE 4.31Å; E394-M409 VanDerWaalsContact OE1-CE 3.24Å; E394-M409 WeakPolarHBondContact OE1-CE 3.02Å; E394-H412 HydrophobicContact CB-CB 4.42Å; E394-H412 WeakPolarHBondContact OE2-CB 3.12Å; E394-H412 IonicContact OE2-CG 2.66Å
395	C	72.9	Confident	67.4	Low	51 Å²	51	81.3 Å²	81.3	35%	0.345	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.4	12.3	-179.4	79.9	0	0	0	0	115.2	C392 K397 H408 H412	C392-C395 PolarHBondContact O-N 2.75Å; C395-K397 PolarHBondContact O-N 2.86Å; C395-K397 VanDerWaalsContact SG-CG 3.51Å; C395-H408 VanDerWaalsContact SG-CE1 3.57Å; C395-H408 PolarHBondContact SG-NE2 2.89Å; C395-H412 WeakPolarHBondContact CB-CE1 3.32Å; C395-H412 PolarHBondContact SG-CE1 3.2Å; C395-H412 PolarHBondContact SG-NE2 3.22Å
396	G	67.6	Low	67.9	Low	41 Å²	41	82.4 Å²	82.4	42%	0.423	42%	0.416	S	S	.	.			trans	62.8	12.8	178.1	0	0	0	0	0	115	E391 C392	E391-G396 WeakPolarHBondContact OE1-CA 3.2Å; C392-G396 WeakPolarHBondContact O-CA 3.26Å; C392-G396 PolarHBondContact O-N 3.27Å
397	K	67.3	Low	68.6	Low	123 Å²	123	81.6 Å²	81.6	54%	0.535	40%	0.401	S	S	.	.			trans	-80.7	125.2	178.3	-75.5	178.4	-173.3	170.6	0	109.3	C392 C395 F399	C392-K397 HydrophobicContact CB-CB 4.48Å; C392-K397 VanDerWaalsContact CB-O 3.27Å; C392-K397 WeakPolarHBondContact CB-O 3.46Å; C392-K397 PolarHBondContact N-O 3.41Å; C395-K397 PolarHBondContact O-N 2.86Å; C395-K397 VanDerWaalsContact SG-CG 3.51Å; K397-F399 HydrophobicContact CB-CE2 3.7Å; K397-F399 HydrophobicContact CB-CZ 3.88Å; K397-F399 VanDerWaalsContact O-CD2 3.32Å; K397-F399 WeakPolarHBondContact O-CD2 3.41Å; K397-F399 WeakPolarHBondContact O-CE2 3.26Å
398	S	67.3	Low	69.5	Low	44 Å²	44	75.5 Å²	75.5	31%	0.308	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	139.1	-179.3	-19.2	0	0	0	0	111.5
399	F	73.9	Confident	70	Confident	44 Å²	44	71 Å²	71	19%	0.193	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	147.9	-173.3	-61	-92.1	0	0	0	110.1	Y390 C392 K397 D401 R405 H408	Y390-F399 PolarHBondContact N-O 3.04Å; Y390-F399 PolarHBondContact O-N 2.54Å; C392-F399 HydrophobicContact CB-CE2 4.15Å; K397-F399 HydrophobicContact CB-CE2 3.7Å; K397-F399 HydrophobicContact CB-CZ 3.88Å; K397-F399 VanDerWaalsContact O-CD2 3.32Å; K397-F399 WeakPolarHBondContact O-CD2 3.41Å; K397-F399 WeakPolarHBondContact O-CE2 3.26Å; F399-D401 PolarHBondContact O-N 3.44Å; F399-R405 HydrophobicContact CB-CB 4.08Å; F399-R405 HydrophobicContact CD2-CB 3.84Å; F399-R405 HydrophobicContact CD2-CG 3.82Å; F399-R405 HydrophobicContact CE2-CG 4.37Å; F399-R405 HydrophobicContact CG-CB 4.05Å; F399-H408 HydrophobicContact CE1-CB 3.71Å; F399-H408 AromaticContact CE1-CG 3.95Å; F399-H408 HydrophobicContact CE2-CB 3.9Å; F399-H408 AromaticContact CE2-CD2 3.11Å; F399-H408 WeakPolarHBondContact CE2-CD2 3.14Å; F399-H408 AromaticContact CE2-CG 3.57Å; F399-H408 AromaticContact CE2-NE2 3.77Å; F399-H408 HydrophobicContact CZ-CB 3.34Å; F399-H408 AromaticContact CZ-CD2 3.15Å; F399-H408 WeakPolarHBondContact CZ-CD2 3.47Å; F399-H408 AromaticContact CZ-CG 3.1Å; F399-H408 AromaticContact CZ-ND1 3.75Å; F399-H408 AromaticContact CZ-NE2 3.75Å
400	G	66.8	Low	70.4	Confident	10 Å²	10	74 Å²	74	10%	0.103	36%	0.355	C	S	.	.	S	Bend	trans	-75.3	-6.4	175.7	0	0	0	0	0	114.6
401	D	68.6	Low	70.3	Confident	21 Å²	21	72.5 Å²	72.5	11%	0.112	36%	0.355	C	S	.	.	S	Bend	trans	-153.5	152.7	176.3	79	94.9	0	0	0	113.8	L379 Y390 F399 V403 S404 R405	L379-D401 HydrophobicContact CD1-CB 4.18Å; L379-D401 WeakPolarHBondContact CD1-OD2 3.47Å; Y390-D401 VanDerWaalsContact CD2-C 3.44Å; Y390-D401 VanDerWaalsContact CD2-CA 3.48Å; F399-D401 PolarHBondContact O-N 3.44Å; D401-V403 VanDerWaalsContact C-N 3.31Å; D401-V403 PolarHBondContact O-N 3.37Å; D401-V403 VanDerWaalsContact OD1-CA 3.27Å; D401-V403 WeakPolarHBondContact OD1-CA 3.36Å; D401-V403 WeakPolarHBondContact OD1-CB 3.41Å; D401-V403 PolarHBondContact OD1-N 3.02Å; D401-S404 PolarHBondContact O-N 2.86Å; D401-S404 PolarHBondContact OD1-N 2.99Å; D401-S404 PolarHBondContact OD1-OG 3.46Å; D401-S404 WeakPolarHBondContact OD2-CB 3.27Å; D401-S404 PolarHBondContact OD2-OG 2.83Å; D401-R405 PolarHBondContact O-N 2.8Å
402	L	69.1	Low	70.2	Confident	61 Å²	61	69.6 Å²	69.6	32%	0.319	34%	0.342	S	S	.	.	H	α-helix	trans	-64.7	-29.7	-179.5	-176	61.8	0	0	0	113.4	Y390 R406	Y390-L402 HydrophobicContact CD1-CB 4Å; Y390-L402 HydrophobicContact CD1-CD1 3.95Å; Y390-L402 HydrophobicContact CE1-CB 3.87Å; Y390-L402 HydrophobicContact CE1-CD1 4.25Å; Y390-L402 HydrophobicContact CE1-CG 4.49Å; Y390-L402 HydrophobicContact CE2-CB 4.47Å; Y390-L402 HydrophobicContact CG-CB 4.35Å; L402-R406 WeakPolarHBondContact O-CB 3.43Å; L402-R406 PolarHBondContact O-N 3.3Å
403	V	73.1	Confident	69.5	Low	78 Å²	78	74.6 Å²	74.6	47%	0.473	37%	0.367	S	S	.	.	H	α-helix	trans	-73.6	-41.3	-179.3	-178.9	0	0	0	0	110.5	D401 R406 K407	D401-V403 VanDerWaalsContact C-N 3.31Å; D401-V403 PolarHBondContact O-N 3.37Å; D401-V403 VanDerWaalsContact OD1-CA 3.27Å; D401-V403 WeakPolarHBondContact OD1-CA 3.36Å; D401-V403 WeakPolarHBondContact OD1-CB 3.41Å; D401-V403 PolarHBondContact OD1-N 3.02Å; V403-R406 PolarHBondContact O-N 3.46Å; V403-K407 WeakPolarHBondContact O-CB 3.43Å; V403-K407 WeakPolarHBondContact O-CG 2.97Å; V403-K407 PolarHBondContact O-N 2.84Å
404	S	73.4	Confident	68.7	Low	33 Å²	33	70.5 Å²	70.5	23%	0.231	36%	0.358	C	S	.	.	H	α-helix	trans	-66.9	-41.8	173.2	-63.5	0	0	0	0	111.3	D401 R406 K407 H408	D401-S404 PolarHBondContact O-N 2.86Å; D401-S404 PolarHBondContact OD1-N 2.99Å; D401-S404 PolarHBondContact OD1-OG 3.46Å; D401-S404 WeakPolarHBondContact OD2-CB 3.27Å; D401-S404 PolarHBondContact OD2-OG 2.83Å; S404-R406 VanDerWaalsContact C-N 3.34Å; S404-R406 PolarHBondContact O-N 3.33Å; S404-K407 PolarHBondContact O-N 2.89Å; S404-H408 WeakPolarHBondContact O-CB 3.46Å; S404-H408 PolarHBondContact O-N 2.81Å
405	R	75.9	Confident	68	Low	65 Å²	65	73.2 Å²	73.2	25%	0.245	37%	0.368	C	S	.	.	H	α-helix	trans	-58.9	-46.5	170.6	-169.4	-176.5	68.1	126.3	6.5	110.9	E391 F399 D401 K407 H408 M409	E391-R405 WeakPolarHBondContact O-CD 3.34Å; E391-R405 PolarHBondContact O-NH1 2.94Å; F399-R405 HydrophobicContact CB-CB 4.08Å; F399-R405 HydrophobicContact CD2-CB 3.84Å; F399-R405 HydrophobicContact CD2-CG 3.82Å; F399-R405 HydrophobicContact CE2-CG 4.37Å; F399-R405 HydrophobicContact CG-CB 4.05Å; D401-R405 PolarHBondContact O-N 2.8Å; R405-K407 PolarHBondContact O-N 3.33Å; R405-H408 CarbonylContact O-C 3.43Å; R405-H408 WeakPolarHBondContact O-CA 3.36Å; R405-H408 WeakPolarHBondContact O-CB 3.22Å; R405-H408 PolarHBondContact O-N 2.74Å; R405-M409 HydrophobicContact CG-CG 4.48Å; R405-M409 WeakPolarHBondContact O-CG 3.49Å; R405-M409 PolarHBondContact O-N 2.76Å
406	R	71.9	Confident	67.4	Low	140 Å²	140	76 Å²	76	53%	0.528	38%	0.375	S	S	.	.	H	α-helix	trans	-62.2	-39.6	178.1	-172	-179.7	-68.4	151.2	-2.1	112.4	L402 V403 S404 H408 M409	L402-R406 WeakPolarHBondContact O-CB 3.43Å; L402-R406 PolarHBondContact O-N 3.3Å; V403-R406 PolarHBondContact O-N 3.46Å; S404-R406 VanDerWaalsContact C-N 3.34Å; S404-R406 PolarHBondContact O-N 3.33Å; R406-H408 VanDerWaalsContact C-N 3.3Å; R406-M409 PolarHBondContact O-N 3.14Å
407	K	69.6	Low	67.2	Low	122 Å²	122	78.6 Å²	78.6	53%	0.53	38%	0.384	S	S	.	.	H	α-helix	trans	-61.7	-40.3	171.7	-76.7	173.1	179	178.9	0	111.3	V403 S404 R405 R410	V403-K407 WeakPolarHBondContact O-CB 3.43Å; V403-K407 WeakPolarHBondContact O-CG 2.97Å; V403-K407 PolarHBondContact O-N 2.84Å; S404-K407 PolarHBondContact O-N 2.89Å; R405-K407 PolarHBondContact O-N 3.33Å; K407-R410 WeakPolarHBondContact O-CB 3.35Å; K407-R410 PolarHBondContact O-N 3.04Å
408	H	74.4	Confident	67.2	Low	20 Å²	20	74 Å²	74	9%	0.093	37%	0.366	C	S	.	.	H	α-helix	trans	-70.2	-35.3	175.4	168.6	64.6	0	0	0	113.2	C392 C395 F399 S404 R405 R406 R410 T411 H412	C392-H408 PolarHBondContact SG-NE2 3.34Å; C395-H408 VanDerWaalsContact SG-CE1 3.57Å; C395-H408 PolarHBondContact SG-NE2 2.89Å; F399-H408 HydrophobicContact CE1-CB 3.71Å; F399-H408 AromaticContact CE1-CG 3.95Å; F399-H408 HydrophobicContact CE2-CB 3.9Å; F399-H408 AromaticContact CE2-CD2 3.11Å; F399-H408 WeakPolarHBondContact CE2-CD2 3.14Å; F399-H408 AromaticContact CE2-CG 3.57Å; F399-H408 AromaticContact CE2-NE2 3.77Å; F399-H408 HydrophobicContact CZ-CB 3.34Å; F399-H408 AromaticContact CZ-CD2 3.15Å; F399-H408 WeakPolarHBondContact CZ-CD2 3.47Å; F399-H408 AromaticContact CZ-CG 3.1Å; F399-H408 AromaticContact CZ-ND1 3.75Å; F399-H408 AromaticContact CZ-NE2 3.75Å; S404-H408 WeakPolarHBondContact O-CB 3.46Å; S404-H408 PolarHBondContact O-N 2.81Å; R405-H408 CarbonylContact O-C 3.43Å; R405-H408 WeakPolarHBondContact O-CA 3.36Å; R405-H408 WeakPolarHBondContact O-CB 3.22Å; R405-H408 PolarHBondContact O-N 2.74Å; R406-H408 VanDerWaalsContact C-N 3.3Å; H408-R410 PolarHBondContact O-N 2.75Å; H408-R410 VanDerWaalsContact O-N 3.09Å; H408-T411 PolarHBondContact CE1-OG1 3.33Å; H408-T411 PolarHBondContact ND1-OG1 3.34Å; H408-T411 WeakPolarHBondContact O-CA 3.27Å; H408-T411 WeakPolarHBondContact O-CB 3.11Å; H408-T411 PolarHBondContact O-N 2.74Å; H408-T411 PolarHBondContact O-OG1 3.2Å; H408-H412 AromaticContact CD2-NE2 3.78Å; H408-H412 AromaticContact CE1-CE1 3.67Å; H408-H412 AromaticContact CE1-NE2 3.23Å; H408-H412 PolarHBondContact CE1-NE2 3.06Å; H408-H412 AromaticContact NE2-CD2 3.8Å; H408-H412 AromaticContact NE2-CE1 3.76Å; H408-H412 AromaticContact NE2-NE2 2.93Å; H408-H412 PolarHBondContact NE2-NE2 3.47Å
409	M	67.6	Low	67.6	Low	43 Å²	43	77.5 Å²	77.5	21%	0.212	38%	0.377	C	S	.	.	H	α-helix	trans	-58.2	-27.7	175.1	-67.5	-54.4	-65.2	0	0	112.1	C392 E394 R405 R406 T411 H412 I413	C392-M409 HydrophobicContact CB-SD 4.28Å; C392-M409 PolarHBondContact SG-SD 3.46Å; E394-M409 HydrophobicContact CG-CE 4.31Å; E394-M409 VanDerWaalsContact OE1-CE 3.24Å; E394-M409 WeakPolarHBondContact OE1-CE 3.02Å; R405-M409 HydrophobicContact CG-CG 4.48Å; R405-M409 WeakPolarHBondContact O-CG 3.49Å; R405-M409 PolarHBondContact O-N 2.76Å; R406-M409 PolarHBondContact O-N 3.14Å; M409-T411 PolarHBondContact O-N 2.82Å; M409-H412 PolarHBondContact O-N 3.5Å; M409-I413 PolarHBondContact O-N 2.73Å; M409-I413 VanDerWaalsContact O-N 3.16Å
410	R	69.2	Low	67.9	Low	149 Å²	149	75.4 Å²	75.4	56%	0.562	37%	0.368	S	S	*	.	H	α-helix	trans	-66.1	-13.5	172	-55.9	178.7	-170.8	136	-0.3	113.9	K407 H408	K407-R410 WeakPolarHBondContact O-CB 3.35Å; K407-R410 PolarHBondContact O-N 3.04Å; H408-R410 PolarHBondContact O-N 2.75Å; H408-R410 VanDerWaalsContact O-N 3.09Å
411	T	64.9	Low	68.4	Low	55 Å²	55	86.8 Å²	86.8	34%	0.337	41%	0.408	S	S	.	.	H	α-helix	trans	-82	-22	172.4	68.3	0	0	0	0	112.6	H408 M409	H408-T411 PolarHBondContact CE1-OG1 3.33Å; H408-T411 PolarHBondContact ND1-OG1 3.34Å; H408-T411 WeakPolarHBondContact O-CA 3.27Å; H408-T411 WeakPolarHBondContact O-CB 3.11Å; H408-T411 PolarHBondContact O-N 2.74Å; H408-T411 PolarHBondContact O-OG1 3.2Å; M409-T411 PolarHBondContact O-N 2.82Å
412	H	65.4	Low	68.6	Low	45 Å²	45	91.7 Å²	91.7	21%	0.208	43%	0.43	C	S	.	.	H	α-helix	trans	-93.3	-28.3	177.9	-57.3	-52.3	0	0	0	113.6	C392 E394 C395 H408 M409 V414	C392-H412 PolarHBondContact SG-CD2 3.4Å; C392-H412 PolarHBondContact SG-NE2 3.47Å; E394-H412 HydrophobicContact CB-CB 4.42Å; E394-H412 WeakPolarHBondContact OE2-CB 3.12Å; E394-H412 IonicContact OE2-CG 2.66Å; C395-H412 WeakPolarHBondContact CB-CE1 3.32Å; C395-H412 PolarHBondContact SG-CE1 3.2Å; C395-H412 PolarHBondContact SG-NE2 3.22Å; H408-H412 AromaticContact CD2-NE2 3.78Å; H408-H412 AromaticContact CE1-CE1 3.67Å; H408-H412 AromaticContact CE1-NE2 3.23Å; H408-H412 PolarHBondContact CE1-NE2 3.06Å; H408-H412 AromaticContact NE2-CD2 3.8Å; H408-H412 AromaticContact NE2-CE1 3.76Å; H408-H412 AromaticContact NE2-NE2 2.93Å; H408-H412 PolarHBondContact NE2-NE2 3.47Å; M409-H412 PolarHBondContact O-N 3.5Å; H412-V414 PolarHBondContact O-N 3.21Å
413	I	63	Low	69	Low	105 Å²	105	91.1 Å²	91.1	54%	0.538	43%	0.431	S	S	.	.			trans	-69.1	84.4	166.4	-56.1	168.7	0	0	0	107.6	M409 K415	M409-I413 PolarHBondContact O-N 2.73Å; M409-I413 VanDerWaalsContact O-N 3.16Å; I413-K415 HydrophobicContact CG2-CB 4.11Å; I413-K415 PolarHBondContact O-N 3.49Å
414	V	53.8	Low	68.9	Low	110 Å²	110	89.3 Å²	89.3	67%	0.667	43%	0.428	S	S	*	.			trans	-75.4	47.7	168	-167.4	0	0	0	0	109.2	H412 K416	H412-V414 PolarHBondContact O-N 3.21Å; V414-K416 HydrophobicContact CG1-CD 4.17Å; V414-K416 HydrophobicContact CG1-CG 4.35Å; V414-K416 PolarHBondContact O-N 3.23Å
415	K	53.1	Low	68.9	Low	177 Å²	177	93.5 Å²	93.5	77%	0.77	44%	0.442	S	S	*	.			trans	-89.4	92.8	152.8	-79.1	-169.3	176	-176.5	0	105.7	I413 P417	I413-K415 HydrophobicContact CG2-CB 4.11Å; I413-K415 PolarHBondContact O-N 3.49Å; K415-P417 WeakPolarHBondContact O-CD 3.27Å; K415-P417 VanDerWaalsContact O-N 3.13Å
416	K	59	Low	68.6	Low	110 Å²	110	92.8 Å²	92.8	48%	0.478	45%	0.445	S	S	.	.			trans	-65.4	98.4	166.6	-70	149.3	137	-161.8	0	106.2	V414 V418 T426 F427	V414-K416 HydrophobicContact CG1-CD 4.17Å; V414-K416 HydrophobicContact CG1-CG 4.35Å; V414-K416 PolarHBondContact O-N 3.23Å; K416-V418 PolarHBondContact O-N 3.46Å; K416-T426 HydrophobicContact CB-CG2 4.49Å; K416-T426 VanDerWaalsContact CD-OG1 3.28Å; K416-T426 WeakPolarHBondContact CD-OG1 3.16Å; K416-T426 WeakPolarHBondContact CE-O 3.22Å; K416-T426 VanDerWaalsContact CE-OG1 3.32Å; K416-T426 WeakPolarHBondContact CE-OG1 3.36Å; K416-T426 PolarHBondContact NZ-OG1 3.14Å; K416-F427 WeakPolarHBondContact CA-O 3.38Å
417	P	64.3	Low	68.7	Low	96 Å²	96	87.7 Å²	87.7	62%	0.623	43%	0.427	S	S	*	.			trans	-79.6	-8.7	-166.4	18.1	-6.6	0	0	0	112.1	K415 F427	K415-P417 WeakPolarHBondContact O-CD 3.27Å; K415-P417 VanDerWaalsContact O-N 3.13Å; P417-F427 VanDerWaalsContact CD-O 3.22Å; P417-F427 WeakPolarHBondContact CD-O 3.42Å
418	V	66.6	Low	68.7	Low	25 Å²	25	89.8 Å²	89.8	15%	0.152	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	116.1	-169.5	-156.5	0	0	0	0	110.8	K416 F427 L433	K416-V418 PolarHBondContact O-N 3.46Å; V418-F427 PolarHBondContact O-N 3.06Å; V418-L433 HydrophobicContact CB-CD2 4.33Å; V418-L433 HydrophobicContact CG1-CB 4.35Å; V418-L433 HydrophobicContact CG1-CD2 3.27Å; V418-L433 HydrophobicContact CG1-CG 4.39Å
419	E	75.4	Confident	68.6	Low	118 Å²	118	91.9 Å²	91.9	55%	0.551	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	138.8	176.6	-177	180	155.6	0	0	110.7	R421 T426	E419-R421 PolarHBondContact O-N 2.84Å; E419-T426 HydrophobicContact CB-CG2 4.16Å; E419-T426 HydrophobicContact CG-CG2 4.22Å
420	C	79.9	Confident	69	Low	0 Å²	0	95.8 Å²	95.8	0%	0	46%	0.461	C	S	.	.			trans	-75	111.3	166.2	179.1	0	0	0	0	109.5	Q422 C423 G424 K425 F427 L433 M437 H440	C420-Q422 PolarHBondContact O-N 2.76Å; C420-C423 PolarHBondContact O-N 3.38Å; C420-C423 VanDerWaalsContact SG-SG 3.66Å; C420-G424 WeakPolarHBondContact O-CA 3.28Å; C420-G424 PolarHBondContact O-N 3.48Å; C420-K425 WeakPolarHBondContact CB-O 3.42Å; C420-K425 PolarHBondContact N-O 3.4Å; C420-F427 HydrophobicContact CB-CE2 3.94Å; C420-L433 HydrophobicContact CB-CD1 3.55Å; C420-M437 VanDerWaalsContact SG-SD 3.62Å; C420-H440 PolarHBondContact SG-NE2 3.41Å
421	R	77.6	Confident	69.4	Low	250 Å²	250	93 Å²	93	94%	0.943	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-20	177.9	-66.4	-175.5	178.2	174.6	-2	114.1	E419	E419-R421 PolarHBondContact O-N 2.84Å
422	Q	74.3	Confident	70	Confident	123 Å²	123	93.8 Å²	93.8	58%	0.575	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-20.2	-177	-166.9	166.1	-0.8	0	0	114	C420 H440	C420-Q422 PolarHBondContact O-N 2.76Å; Q422-H440 VanDerWaalsContact OE1-CB 3.23Å
423	C	77.3	Confident	70.7	Confident	50 Å²	50	92.3 Å²	92.3	34%	0.338	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.6	9.7	179.5	70.5	0	0	0	0	115.6	C420 K425 H436 H440	C420-C423 PolarHBondContact O-N 3.38Å; C420-C423 VanDerWaalsContact SG-SG 3.66Å; C423-K425 PolarHBondContact O-N 3.18Å; C423-K425 VanDerWaalsContact SG-CG 3.57Å; C423-H436 PolarHBondContact SG-NE2 3.08Å; C423-H440 VanDerWaalsContact SG-CE1 3.55Å; C423-H440 PolarHBondContact SG-NE2 3.44Å
424	G	71.2	Confident	71.6	Confident	39 Å²	39	94.8 Å²	94.8	40%	0.402	47%	0.466	S	S	.	.			trans	65.8	4.3	178.7	0	0	0	0	0	114.8	C420 T426	C420-G424 WeakPolarHBondContact O-CA 3.28Å; C420-G424 PolarHBondContact O-N 3.48Å; G424-T426 PolarHBondContact O-N 3.42Å
425	K	72.7	Confident	72.8	Confident	121 Å²	121	91.8 Å²	91.8	53%	0.526	45%	0.448	S	S	.	.			trans	-71.5	133.2	-179.6	-72.8	177.9	-171.3	163.1	0	110.2	C420 C423 F427	C420-K425 WeakPolarHBondContact CB-O 3.42Å; C420-K425 PolarHBondContact N-O 3.4Å; C423-K425 PolarHBondContact O-N 3.18Å; C423-K425 VanDerWaalsContact SG-CG 3.57Å; K425-F427 HydrophobicContact CB-CE2 3.6Å; K425-F427 HydrophobicContact CB-CZ 3.72Å; K425-F427 VanDerWaalsContact O-CD2 3.27Å; K425-F427 WeakPolarHBondContact O-CD2 3.43Å; K425-F427 WeakPolarHBondContact O-CE2 3.24Å
426	T	68.9	Low	74.2	Confident	51 Å²	51	84.4 Å²	84.4	31%	0.313	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.3	-174.2	41.9	0	0	0	0	111.1	K416 E419 G424	K416-T426 HydrophobicContact CB-CG2 4.49Å; K416-T426 VanDerWaalsContact CD-OG1 3.28Å; K416-T426 WeakPolarHBondContact CD-OG1 3.16Å; K416-T426 WeakPolarHBondContact CE-O 3.22Å; K416-T426 VanDerWaalsContact CE-OG1 3.32Å; K416-T426 WeakPolarHBondContact CE-OG1 3.36Å; K416-T426 PolarHBondContact NZ-OG1 3.14Å; E419-T426 HydrophobicContact CB-CG2 4.16Å; E419-T426 HydrophobicContact CG-CG2 4.22Å; G424-T426 PolarHBondContact O-N 3.42Å
427	F	75.4	Confident	75.2	Confident	33 Å²	33	82.1 Å²	82.1	15%	0.145	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	157.9	-171.3	-63.5	-83.8	0	0	0	112.2	K416 P417 V418 C420 K425 I432 L433 H436	K416-F427 WeakPolarHBondContact CA-O 3.38Å; P417-F427 VanDerWaalsContact CD-O 3.22Å; P417-F427 WeakPolarHBondContact CD-O 3.42Å; V418-F427 PolarHBondContact O-N 3.06Å; C420-F427 HydrophobicContact CB-CE2 3.94Å; K425-F427 HydrophobicContact CB-CE2 3.6Å; K425-F427 HydrophobicContact CB-CZ 3.72Å; K425-F427 VanDerWaalsContact O-CD2 3.27Å; K425-F427 WeakPolarHBondContact O-CD2 3.43Å; K425-F427 WeakPolarHBondContact O-CE2 3.24Å; F427-I432 HydrophobicContact CD1-CB 4.5Å; F427-I432 HydrophobicContact CD1-CG2 3.58Å; F427-I432 HydrophobicContact CE1-CG2 4.25Å; F427-I432 HydrophobicContact CG-CG2 4.39Å; F427-L433 HydrophobicContact CB-CB 4.34Å; F427-L433 HydrophobicContact CD2-CB 4.12Å; F427-L433 HydrophobicContact CD2-CD1 3.58Å; F427-L433 HydrophobicContact CD2-CG 4.44Å; F427-L433 HydrophobicContact CE2-CD1 3.72Å; F427-L433 HydrophobicContact CG-CB 4.32Å; F427-H436 HydrophobicContact CE1-CB 3.83Å; F427-H436 AromaticContact CE1-CG 3.85Å; F427-H436 HydrophobicContact CE2-CB 4.17Å; F427-H436 AromaticContact CE2-CD2 3.21Å; F427-H436 WeakPolarHBondContact CE2-CD2 3.39Å; F427-H436 AromaticContact CE2-CG 3.7Å; F427-H436 AromaticContact CE2-NE2 3.74Å; F427-H436 HydrophobicContact CZ-CB 3.6Å; F427-H436 AromaticContact CZ-CD2 3.14Å; F427-H436 WeakPolarHBondContact CZ-CD2 3.37Å; F427-H436 AromaticContact CZ-CE1 3.89Å; F427-H436 AromaticContact CZ-CG 3.14Å; F427-H436 AromaticContact CZ-ND1 3.65Å; F427-H436 AromaticContact CZ-NE2 3.58Å
428	R	68.7	Low	76.1	Confident	165 Å²	165	78.5 Å²	78.5	62%	0.623	38%	0.383	S	S	*	.	S	Bend	trans	-72.1	-29.8	-178.6	-174.6	-177.6	-69.7	167.5	-1.8	112.9
429	N	71.6	Confident	76.5	Confident	65 Å²	65	80.9 Å²	80.9	35%	0.348	40%	0.402	S	S	.	.	S	Bend	trans	-156.3	165.6	-178.5	61.4	27.9	0	0	0	111.6	S431 I432 L433	N429-S431 VanDerWaalsContact C-N 3.34Å; N429-S431 PolarHBondContact O-N 3.3Å; N429-I432 PolarHBondContact O-N 3.19Å; N429-I432 VanDerWaalsContact OD1-CB 3.31Å; N429-I432 WeakPolarHBondContact OD1-CB 3.28Å; N429-I432 WeakPolarHBondContact OD1-CD1 3.37Å; N429-I432 WeakPolarHBondContact OD1-CG1 3.4Å; N429-I432 PolarHBondContact OD1-N 2.96Å; N429-L433 PolarHBondContact O-N 2.96Å
430	Q	75.9	Confident	76.6	Confident	124 Å²	124	78 Å²	78	58%	0.579	39%	0.388	S	S	*	.	H	α-helix	trans	-62.1	-36.7	-178.9	-164.5	71	4.6	0	0	113	I432 L433 K434	Q430-I432 PolarHBondContact O-N 3.07Å; Q430-L433 PolarHBondContact O-N 3.09Å; Q430-K434 PolarHBondContact O-N 3.38Å
431	S	78.5	Confident	76.4	Confident	91 Å²	91	81.7 Å²	81.7	64%	0.636	41%	0.411	S	S	*	.	H	α-helix	trans	-63.5	-40.9	-179.5	-59.6	0	0	0	0	112.4	N429 K434 T435	N429-S431 VanDerWaalsContact C-N 3.34Å; N429-S431 PolarHBondContact O-N 3.3Å; S431-K434 PolarHBondContact O-N 3.35Å; S431-T435 PolarHBondContact O-N 3.48Å; S431-T435 VanDerWaalsContact O-N 3.11Å; S431-T435 PolarHBondContact O-OG1 3.42Å
432	I	77.4	Confident	76.3	Confident	72 Å²	72	72.4 Å²	72.4	37%	0.369	39%	0.392	S	S	.	.	H	α-helix	trans	-69.7	-39.2	176.8	-64.4	166.1	0	0	0	110.1	F427 N429 Q430 K434 T435 H436	F427-I432 HydrophobicContact CD1-CB 4.5Å; F427-I432 HydrophobicContact CD1-CG2 3.58Å; F427-I432 HydrophobicContact CE1-CG2 4.25Å; F427-I432 HydrophobicContact CG-CG2 4.39Å; N429-I432 PolarHBondContact O-N 3.19Å; N429-I432 VanDerWaalsContact OD1-CB 3.31Å; N429-I432 WeakPolarHBondContact OD1-CB 3.28Å; N429-I432 WeakPolarHBondContact OD1-CD1 3.37Å; N429-I432 WeakPolarHBondContact OD1-CG1 3.4Å; N429-I432 PolarHBondContact OD1-N 2.96Å; Q430-I432 PolarHBondContact O-N 3.07Å; I432-K434 VanDerWaalsContact C-N 3.34Å; I432-K434 PolarHBondContact O-N 3.11Å; I432-T435 WeakPolarHBondContact CA-OG1 3.35Å; I432-T435 PolarHBondContact O-N 3.46Å; I432-T435 PolarHBondContact O-OG1 3.06Å; I432-H436 WeakPolarHBondContact O-CB 3.3Å; I432-H436 PolarHBondContact O-N 3.21Å
433	L	81	Confident	76.5	Confident	14 Å²	14	71.8 Å²	71.8	7%	0.073	39%	0.39	C	S	.	.	H	α-helix	trans	-59.1	-46.3	172.9	175.4	64.3	0	0	0	111	V418 C420 F427 N429 Q430 T435 H436 M437	V418-L433 HydrophobicContact CB-CD2 4.33Å; V418-L433 HydrophobicContact CG1-CB 4.35Å; V418-L433 HydrophobicContact CG1-CD2 3.27Å; V418-L433 HydrophobicContact CG1-CG 4.39Å; C420-L433 HydrophobicContact CB-CD1 3.55Å; F427-L433 HydrophobicContact CB-CB 4.34Å; F427-L433 HydrophobicContact CD2-CB 4.12Å; F427-L433 HydrophobicContact CD2-CD1 3.58Å; F427-L433 HydrophobicContact CD2-CG 4.44Å; F427-L433 HydrophobicContact CE2-CD1 3.72Å; F427-L433 HydrophobicContact CG-CB 4.32Å; N429-L433 PolarHBondContact O-N 2.96Å; Q430-L433 PolarHBondContact O-N 3.09Å; L433-T435 VanDerWaalsContact C-N 3.33Å; L433-T435 PolarHBondContact O-N 3.03Å; L433-H436 CarbonylContact O-C 3.55Å; L433-H436 WeakPolarHBondContact O-CA 3.47Å; L433-H436 VanDerWaalsContact O-CB 3.31Å; L433-H436 WeakPolarHBondContact O-CB 3.24Å; L433-H436 PolarHBondContact O-N 3.11Å; L433-M437 HydrophobicContact CD1-CG 4.39Å; L433-M437 HydrophobicContact CD1-SD 4.1Å; L433-M437 HydrophobicContact CG-CG 4.4Å; L433-M437 WeakPolarHBondContact O-CG 3.29Å; L433-M437 PolarHBondContact O-N 2.97Å
434	K	80.9	Confident	76.7	Confident	156 Å²	156	75.9 Å²	75.9	68%	0.678	40%	0.402	S	S	*	.	H	α-helix	trans	-58	-44.6	178.6	-170.5	174	-177.7	175.7	0	111.8	Q430 S431 I432 H436 M437 N438	Q430-K434 PolarHBondContact O-N 3.38Å; S431-K434 PolarHBondContact O-N 3.35Å; I432-K434 VanDerWaalsContact C-N 3.34Å; I432-K434 PolarHBondContact O-N 3.11Å; K434-H436 VanDerWaalsContact C-N 3.26Å; K434-H436 PolarHBondContact O-N 3.26Å; K434-M437 PolarHBondContact O-N 3.24Å; K434-N438 PolarHBondContact O-OD1 3.21Å
435	T	80.1	Confident	77.3	Confident	47 Å²	47	77.7 Å²	77.7	29%	0.288	41%	0.406	S	S	.	.	H	α-helix	trans	-67.3	-26.1	173.8	54.7	0	0	0	0	113.5	S431 I432 L433 N438 A457	S431-T435 PolarHBondContact O-N 3.48Å; S431-T435 VanDerWaalsContact O-N 3.11Å; S431-T435 PolarHBondContact O-OG1 3.42Å; I432-T435 WeakPolarHBondContact CA-OG1 3.35Å; I432-T435 PolarHBondContact O-N 3.46Å; I432-T435 PolarHBondContact O-OG1 3.06Å; L433-T435 VanDerWaalsContact C-N 3.33Å; L433-T435 PolarHBondContact O-N 3.03Å; T435-N438 WeakPolarHBondContact O-CB 3.46Å; T435-A457 HydrophobicContact CG2-CB 3.99Å
436	H	82.5	Confident	77.8	Confident	23 Å²	23	76 Å²	76	11%	0.106	40%	0.397	C	S	.	.	H	α-helix	trans	-75.7	-34.1	174.1	166.8	64.3	0	0	0	112.2	C423 F427 I432 L433 K434 N438 S439 H440	C423-H436 PolarHBondContact SG-NE2 3.08Å; F427-H436 HydrophobicContact CE1-CB 3.83Å; F427-H436 AromaticContact CE1-CG 3.85Å; F427-H436 HydrophobicContact CE2-CB 4.17Å; F427-H436 AromaticContact CE2-CD2 3.21Å; F427-H436 WeakPolarHBondContact CE2-CD2 3.39Å; F427-H436 AromaticContact CE2-CG 3.7Å; F427-H436 AromaticContact CE2-NE2 3.74Å; F427-H436 HydrophobicContact CZ-CB 3.6Å; F427-H436 AromaticContact CZ-CD2 3.14Å; F427-H436 WeakPolarHBondContact CZ-CD2 3.37Å; F427-H436 AromaticContact CZ-CE1 3.89Å; F427-H436 AromaticContact CZ-CG 3.14Å; F427-H436 AromaticContact CZ-ND1 3.65Å; F427-H436 AromaticContact CZ-NE2 3.58Å; I432-H436 WeakPolarHBondContact O-CB 3.3Å; I432-H436 PolarHBondContact O-N 3.21Å; L433-H436 CarbonylContact O-C 3.55Å; L433-H436 WeakPolarHBondContact O-CA 3.47Å; L433-H436 VanDerWaalsContact O-CB 3.31Å; L433-H436 WeakPolarHBondContact O-CB 3.24Å; L433-H436 PolarHBondContact O-N 3.11Å; K434-H436 VanDerWaalsContact C-N 3.26Å; K434-H436 PolarHBondContact O-N 3.26Å; H436-N438 PolarHBondContact O-N 3.28Å; H436-S439 PolarHBondContact CE1-OG 3.28Å; H436-S439 PolarHBondContact ND1-OG 3.16Å; H436-S439 WeakPolarHBondContact O-CA 3.44Å; H436-S439 VanDerWaalsContact O-CB 3.3Å; H436-S439 WeakPolarHBondContact O-CB 3.42Å; H436-S439 PolarHBondContact O-N 2.83Å; H436-S439 PolarHBondContact O-OG 2.99Å; H436-H440 AromaticContact CD2-NE2 4Å; H436-H440 AromaticContact CE1-NE2 3.46Å; H436-H440 PolarHBondContact CE1-NE2 2.98Å; H436-H440 AromaticContact NE2-CD2 3.8Å; H436-H440 AromaticContact NE2-NE2 3.11Å; H436-H440 PolarHBondContact NE2-NE2 3.17Å; H436-H440 VanDerWaalsContact NE2-NE2 3.11Å
437	M	79.6	Confident	78.4	Confident	62 Å²	62	75 Å²	75	31%	0.305	40%	0.397	S	S	.	.	H	α-helix	trans	-57.3	-32.3	175.7	-67.4	-53	-65.3	0	0	112.1	C420 L433 K434 S439 H440 T441	C420-M437 VanDerWaalsContact SG-SD 3.62Å; L433-M437 HydrophobicContact CD1-CG 4.39Å; L433-M437 HydrophobicContact CD1-SD 4.1Å; L433-M437 HydrophobicContact CG-CG 4.4Å; L433-M437 WeakPolarHBondContact O-CG 3.29Å; L433-M437 PolarHBondContact O-N 2.97Å; K434-M437 PolarHBondContact O-N 3.24Å; M437-S439 PolarHBondContact O-N 3.34Å; M437-S439 VanDerWaalsContact O-N 3.09Å; M437-H440 WeakPolarHBondContact O-CA 3.42Å; M437-H440 WeakPolarHBondContact O-CB 3.43Å; M437-H440 PolarHBondContact O-N 3.17Å; M437-T441 PolarHBondContact O-N 3.44Å; M437-T441 PolarHBondContact O-OG1 3.22Å
438	N	81.9	Confident	78.8	Confident	19 Å²	19	73.6 Å²	73.6	10%	0.102	39%	0.391	C	S	.	.	H	α-helix	trans	-58.5	-22.1	172.7	-62.1	-3.6	0	0	0	113.6	K434 T435 H436 T441 G442 E443 S456	K434-N438 PolarHBondContact O-OD1 3.21Å; T435-N438 WeakPolarHBondContact O-CB 3.46Å; H436-N438 PolarHBondContact O-N 3.28Å; N438-T441 WeakPolarHBondContact CA-OG1 3.37Å; N438-G442 CarbonylContact O-C 3.38Å; N438-G442 WeakPolarHBondContact O-CA 3.39Å; N438-G442 PolarHBondContact O-N 3.05Å; N438-E443 WeakPolarHBondContact CB-O 3.39Å; N438-E443 PolarHBondContact O-N 3.43Å; N438-S456 PolarHBondContact ND2-O 2.86Å
439	S	75.7	Confident	79.3	Confident	76 Å²	76	71.7 Å²	71.7	53%	0.531	39%	0.393	S	S	.	.	H	α-helix	trans	-79.2	-18.8	173.6	71.8	0	0	0	0	113.9	H436 M437	H436-S439 PolarHBondContact CE1-OG 3.28Å; H436-S439 PolarHBondContact ND1-OG 3.16Å; H436-S439 WeakPolarHBondContact O-CA 3.44Å; H436-S439 VanDerWaalsContact O-CB 3.3Å; H436-S439 WeakPolarHBondContact O-CB 3.42Å; H436-S439 PolarHBondContact O-N 2.83Å; H436-S439 PolarHBondContact O-OG 2.99Å; M437-S439 PolarHBondContact O-N 3.34Å; M437-S439 VanDerWaalsContact O-N 3.09Å
440	H	77.3	Confident	79.5	Confident	58 Å²	58	74.1 Å²	74.1	27%	0.269	41%	0.406	S	S	.	.	H	α-helix	trans	-88.5	-41.8	172.5	-67.6	-58.6	0	0	0	111.8	C420 Q422 C423 H436 M437 G442	C420-H440 PolarHBondContact SG-NE2 3.41Å; Q422-H440 VanDerWaalsContact OE1-CB 3.23Å; C423-H440 VanDerWaalsContact SG-CE1 3.55Å; C423-H440 PolarHBondContact SG-NE2 3.44Å; H436-H440 AromaticContact CD2-NE2 4Å; H436-H440 AromaticContact CE1-NE2 3.46Å; H436-H440 PolarHBondContact CE1-NE2 2.98Å; H436-H440 AromaticContact NE2-CD2 3.8Å; H436-H440 AromaticContact NE2-NE2 3.11Å; H436-H440 PolarHBondContact NE2-NE2 3.17Å; H436-H440 VanDerWaalsContact NE2-NE2 3.11Å; M437-H440 WeakPolarHBondContact O-CA 3.42Å; M437-H440 WeakPolarHBondContact O-CB 3.43Å; M437-H440 PolarHBondContact O-N 3.17Å; H440-G442 VanDerWaalsContact C-N 3.33Å
441	T	76.4	Confident	79.6	Confident	77 Å²	77	70.7 Å²	70.7	47%	0.472	40%	0.395	S	S	.	.	H	α-helix	trans	-81.7	-13.5	180	60	0	0	0	0	113	M437 N438 E443	M437-T441 PolarHBondContact O-N 3.44Å; M437-T441 PolarHBondContact O-OG1 3.22Å; N438-T441 WeakPolarHBondContact CA-OG1 3.37Å; T441-E443 PolarHBondContact O-N 3.39Å; T441-E443 WeakPolarHBondContact OG1-CB 3.47Å; T441-E443 WeakPolarHBondContact OG1-CG 3.39Å; T441-E443 PolarHBondContact OG1-N 3.02Å
442	G	75.2	Confident	79.4	Confident	54 Å²	54	69.5 Å²	69.5	56%	0.557	40%	0.397	S	S	*	.			trans	72.2	0.5	-174.3	0	0	0	0	0	113.8	N438 H440 K444	N438-G442 CarbonylContact O-C 3.38Å; N438-G442 WeakPolarHBondContact O-CA 3.39Å; N438-G442 PolarHBondContact O-N 3.05Å; H440-G442 VanDerWaalsContact C-N 3.33Å; G442-K444 PolarHBondContact O-N 2.96Å
443	E	77.3	Confident	79.5	Confident	111 Å²	111	72.1 Å²	72.1	52%	0.519	41%	0.406	S	S	.	.			trans	-63.3	135.5	-178.7	-71.8	176.4	-166.7	0	0	111.3	N438 T441 P445	N438-E443 WeakPolarHBondContact CB-O 3.39Å; N438-E443 PolarHBondContact O-N 3.43Å; T441-E443 PolarHBondContact O-N 3.39Å; T441-E443 WeakPolarHBondContact OG1-CB 3.47Å; T441-E443 WeakPolarHBondContact OG1-CG 3.39Å; T441-E443 PolarHBondContact OG1-N 3.02Å; E443-P445 HydrophobicContact CB-CG 4.46Å; E443-P445 WeakPolarHBondContact O-CD 3.4Å
444	K	82.6	Confident	79.7	Confident	136 Å²	136	73.4 Å²	73.4	59%	0.591	42%	0.418	S	S	*	.			trans	-125.7	76	174.9	-69.4	169.7	178.5	176.3	0	108.9	G442 Y446 A454 F455	G442-K444 PolarHBondContact O-N 2.96Å; K444-Y446 PolarHBondContact O-N 3.14Å; K444-Y446 VanDerWaalsContact O-N 3.09Å; K444-A454 HydrophobicContact CB-CB 3.48Å; K444-A454 VanDerWaalsContact CB-CB 3.48Å; K444-A454 HydrophobicContact CD-CB 4.18Å; K444-A454 WeakPolarHBondContact CD-O 3.27Å; K444-A454 HydrophobicContact CG-CB 4.45Å; K444-F455 CarbonylContact C-O 3.52Å; K444-F455 VanDerWaalsContact C-O 3.31Å; K444-F455 WeakPolarHBondContact CA-O 3.46Å
445	P	83.3	Confident	79.8	Confident	76 Å²	76	68 Å²	68	49%	0.494	40%	0.395	S	S	.	.			trans	-66	-17.3	-170.9	-20.8	33.4	0	0	0	114	E443	E443-P445 HydrophobicContact CB-CG 4.46Å; E443-P445 WeakPolarHBondContact O-CD 3.4Å
446	Y	84.4	Confident	79.9	Confident	86 Å²	86	67.7 Å²	67.7	34%	0.337	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	89.7	-171.9	-57.4	-79.3	0	0	0	110.4	K444 A454 F455	K444-Y446 PolarHBondContact O-N 3.14Å; K444-Y446 VanDerWaalsContact O-N 3.09Å; Y446-A454 CarbonylContact O-C 3.31Å; Y446-A454 WeakPolarHBondContact O-CA 3.31Å; Y446-F455 WeakPolarHBondContact CB-O 3.39Å; Y446-F455 WeakPolarHBondContact CD2-O 3.36Å; Y446-F455 PolarHBondContact N-O 2.93Å; Y446-F455 VanDerWaalsContact N-O 3.13Å; Y446-F455 PolarHBondContact O-N 3.49Å
447	G	81.1	Confident	80	Confident	31 Å²	31	67 Å²	67	32%	0.32	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	144.3	175.1	0	0	0	0	0	113.3	L461	G447-L461 WeakPolarHBondContact O-CD1 3.22Å; G447-L461 WeakPolarHBondContact O-CD2 3.23Å
448	C	82.2	Confident	80	Confident	2 Å²	2	66.9 Å²	66.9	1%	0.014	40%	0.398	C	S	.	.			trans	-93.9	112.2	166.9	-174.8	0	0	0	0	110.1	L450 C451 G452 K453 F455 L461 H464 H468	C448-L450 PolarHBondContact O-N 2.91Å; C448-C451 PolarHBondContact O-N 2.8Å; C448-G452 WeakPolarHBondContact O-CA 3.41Å; C448-G452 PolarHBondContact O-N 3.17Å; C448-K453 VanDerWaalsContact CB-O 3.25Å; C448-K453 WeakPolarHBondContact CB-O 3.48Å; C448-K453 PolarHBondContact N-O 3.38Å; C448-F455 HydrophobicContact CB-CE2 4.42Å; C448-L461 HydrophobicContact CB-CD1 3.59Å; C448-H464 VanDerWaalsContact SG-CD2 3.5Å; C448-H468 PolarHBondContact SG-CD2 3.41Å; C448-H468 PolarHBondContact SG-NE2 3.49Å
449	D	80.5	Confident	79.8	Confident	126 Å²	126	69.7 Å²	69.7	67%	0.674	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.1	-179.4	-40.9	-24.8	0	0	0	113.2	R465	D449-R465 IonicContact OD1-NH2 3.38Å; D449-R465 PolarHBondContact OD1-NH2 3.03Å; D449-R465 IonicContact OD2-CZ 3.76Å; D449-R465 IonicContact OD2-NH1 3.64Å; D449-R465 PolarHBondContact OD2-NH1 3.19Å; D449-R465 IonicContact OD2-NH2 3.28Å; D449-R465 PolarHBondContact OD2-NH2 3.06Å
450	L	75.6	Confident	80.1	Confident	115 Å²	115	69.7 Å²	69.7	60%	0.602	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-22.2	-175.2	-60.6	175.5	0	0	0	114.1	C448 H468	C448-L450 PolarHBondContact O-N 2.91Å; L450-H468 HydrophobicContact CB-CB 4.45Å; L450-H468 HydrophobicContact CD1-CB 3.33Å
451	C	77	Confident	80.2	Confident	53 Å²	53	67.7 Å²	67.7	36%	0.358	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.4	9.4	-178.3	71.8	0	0	0	0	114.7	C448 K453 H464 H468	C448-C451 PolarHBondContact O-N 2.8Å; C451-K453 PolarHBondContact O-N 2.78Å; C451-H464 PolarHBondContact SG-NE2 2.99Å; C451-H468 VanDerWaalsContact SG-CE1 3.59Å; C451-H468 PolarHBondContact SG-NE2 3.38Å
452	G	76.3	Confident	80.2	Confident	66 Å²	66	67.4 Å²	67.4	68%	0.68	40%	0.403	S	S	*	.			trans	68.9	-2.1	179.4	0	0	0	0	0	115.3	C448 A454	C448-G452 WeakPolarHBondContact O-CA 3.41Å; C448-G452 PolarHBondContact O-N 3.17Å; G452-A454 PolarHBondContact O-N 3.32Å
453	K	78.6	Confident	80.1	Confident	127 Å²	127	67.5 Å²	67.5	55%	0.552	40%	0.398	S	S	*	.			trans	-68.3	124.7	-179.8	-72.7	-178.6	-179.2	175	0	110.9	C448 C451 F455	C448-K453 VanDerWaalsContact CB-O 3.25Å; C448-K453 WeakPolarHBondContact CB-O 3.48Å; C448-K453 PolarHBondContact N-O 3.38Å; C451-K453 PolarHBondContact O-N 2.78Å; K453-F455 HydrophobicContact CB-CE2 3.87Å; K453-F455 HydrophobicContact CB-CZ 3.96Å; K453-F455 VanDerWaalsContact O-CE2 3.28Å; K453-F455 WeakPolarHBondContact O-CE2 3.26Å
454	A	84.1	Confident	80	Confident	40 Å²	40	63 Å²	63	33%	0.331	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	144	179.7	0	0	0	0	0	111.9	K444 Y446 G452	K444-A454 HydrophobicContact CB-CB 3.48Å; K444-A454 VanDerWaalsContact CB-CB 3.48Å; K444-A454 HydrophobicContact CD-CB 4.18Å; K444-A454 WeakPolarHBondContact CD-O 3.27Å; K444-A454 HydrophobicContact CG-CB 4.45Å; Y446-A454 CarbonylContact O-C 3.31Å; Y446-A454 WeakPolarHBondContact O-CA 3.31Å; G452-A454 PolarHBondContact O-N 3.32Å
455	F	83.4	Confident	79.5	Confident	44 Å²	44	60.9 Å²	60.9	19%	0.193	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	150.7	-176.3	-59.4	-88.6	0	0	0	111.5	K444 Y446 C448 K453 A457 N460 L461 H464	K444-F455 CarbonylContact C-O 3.52Å; K444-F455 VanDerWaalsContact C-O 3.31Å; K444-F455 WeakPolarHBondContact CA-O 3.46Å; Y446-F455 WeakPolarHBondContact CB-O 3.39Å; Y446-F455 WeakPolarHBondContact CD2-O 3.36Å; Y446-F455 PolarHBondContact N-O 2.93Å; Y446-F455 VanDerWaalsContact N-O 3.13Å; Y446-F455 PolarHBondContact O-N 3.49Å; C448-F455 HydrophobicContact CB-CE2 4.42Å; K453-F455 HydrophobicContact CB-CE2 3.87Å; K453-F455 HydrophobicContact CB-CZ 3.96Å; K453-F455 VanDerWaalsContact O-CE2 3.28Å; K453-F455 WeakPolarHBondContact O-CE2 3.26Å; F455-A457 VanDerWaalsContact C-N 3.29Å; F455-A457 PolarHBondContact O-N 3.36Å; F455-N460 HydrophobicContact CB-CB 4.05Å; F455-N460 HydrophobicContact CD1-CB 3.92Å; F455-N460 HydrophobicContact CG-CB 4.2Å; F455-L461 HydrophobicContact CB-CB 4.44Å; F455-L461 HydrophobicContact CD2-CB 3.98Å; F455-L461 HydrophobicContact CD2-CD1 3.93Å; F455-L461 HydrophobicContact CE2-CD1 4.13Å; F455-L461 HydrophobicContact CG-CB 4.44Å; F455-H464 HydrophobicContact CE1-CB 4.07Å; F455-H464 HydrophobicContact CE2-CB 3.7Å; F455-H464 AromaticContact CE2-CD2 3.4Å; F455-H464 VanDerWaalsContact CE2-CD2 3.4Å; F455-H464 WeakPolarHBondContact CE2-CD2 3.49Å; F455-H464 AromaticContact CE2-CG 3.47Å; F455-H464 VanDerWaalsContact CE2-CG 3.47Å; F455-H464 HydrophobicContact CZ-CB 3.43Å; F455-H464 VanDerWaalsContact CZ-CB 3.43Å; F455-H464 AromaticContact CZ-CD2 3.59Å; F455-H464 AromaticContact CZ-CG 3.19Å; F455-H464 AromaticContact CZ-ND1 3.56Å
456	S	82.4	Confident	79	Confident	40 Å²	40	63.3 Å²	63.3	28%	0.28	37%	0.368	S	S	.	.	S	Bend	trans	-76.3	-13.2	176.3	54.4	0	0	0	0	113.8	N438	N438-S456 PolarHBondContact ND2-O 2.86Å
457	A	84.3	Confident	78.1	Confident	8 Å²	8	64.1 Å²	64.1	7%	0.066	38%	0.377	C	S	.	.	S	Bend	trans	-142.3	141.6	-179.8	0	0	0	0	0	112.3	T435 F455 S459 N460 L461	T435-A457 HydrophobicContact CG2-CB 3.99Å; F455-A457 VanDerWaalsContact C-N 3.29Å; F455-A457 PolarHBondContact O-N 3.36Å; A457-S459 VanDerWaalsContact C-N 3.26Å; A457-S459 PolarHBondContact O-N 3.45Å; A457-N460 WeakPolarHBondContact O-CB 3.34Å; A457-N460 PolarHBondContact O-N 3.22Å; A457-L461 PolarHBondContact O-N 3.15Å
458	S	80.8	Confident	77.4	Confident	59 Å²	59	65.5 Å²	65.5	41%	0.413	38%	0.375	S	S	.	.	H	α-helix	trans	-58.3	-35.4	177.2	177.9	0	0	0	0	113	N460 L461 T462	S458-N460 VanDerWaalsContact C-N 3.26Å; S458-N460 PolarHBondContact O-N 3.13Å; S458-L461 PolarHBondContact O-N 2.92Å; S458-T462 WeakPolarHBondContact O-CB 3.47Å; S458-T462 PolarHBondContact O-N 3.37Å; S458-T462 PolarHBondContact O-OG1 2.98Å
459	S	78.3	Confident	76.5	Confident	79 Å²	79	69 Å²	69	55%	0.552	40%	0.396	S	S	*	.	H	α-helix	trans	-61.4	-35.8	175.1	55.1	0	0	0	0	112.5	A457 A463	A457-S459 VanDerWaalsContact C-N 3.26Å; A457-S459 PolarHBondContact O-N 3.45Å; S459-A463 WeakPolarHBondContact O-CB 3.36Å; S459-A463 PolarHBondContact O-N 3.42Å
460	N	80.6	Confident	75.3	Confident	75 Å²	75	70 Å²	70	40%	0.401	40%	0.397	S	S	.	.	H	α-helix	trans	-74	-41.5	179.4	-62.6	-12.8	0	0	0	110.4	F455 A457 S458 T462 A463 H464	F455-N460 HydrophobicContact CB-CB 4.05Å; F455-N460 HydrophobicContact CD1-CB 3.92Å; F455-N460 HydrophobicContact CG-CB 4.2Å; A457-N460 WeakPolarHBondContact O-CB 3.34Å; A457-N460 PolarHBondContact O-N 3.22Å; S458-N460 VanDerWaalsContact C-N 3.26Å; S458-N460 PolarHBondContact O-N 3.13Å; N460-T462 VanDerWaalsContact C-N 3.34Å; N460-A463 PolarHBondContact O-N 3.41Å; N460-H464 VanDerWaalsContact O-CB 3.24Å; N460-H464 WeakPolarHBondContact O-CB 3.22Å; N460-H464 PolarHBondContact O-N 3.31Å
461	L	79.7	Confident	74.3	Confident	17 Å²	17	72.6 Å²	72.6	9%	0.089	41%	0.406	C	S	.	.	H	α-helix	trans	-60.9	-43.3	171.6	173.9	62.8	0	0	0	111.3	G447 C448 F455 A457 S458 A463 H464 R465	G447-L461 WeakPolarHBondContact O-CD1 3.22Å; G447-L461 WeakPolarHBondContact O-CD2 3.23Å; C448-L461 HydrophobicContact CB-CD1 3.59Å; F455-L461 HydrophobicContact CB-CB 4.44Å; F455-L461 HydrophobicContact CD2-CB 3.98Å; F455-L461 HydrophobicContact CD2-CD1 3.93Å; F455-L461 HydrophobicContact CE2-CD1 4.13Å; F455-L461 HydrophobicContact CG-CB 4.44Å; A457-L461 PolarHBondContact O-N 3.15Å; S458-L461 PolarHBondContact O-N 2.92Å; L461-A463 PolarHBondContact O-N 3.42Å; L461-H464 CarbonylContact O-C 3.56Å; L461-H464 WeakPolarHBondContact O-CB 3.5Å; L461-H464 PolarHBondContact O-N 3.47Å; L461-H464 VanDerWaalsContact O-N 3.16Å; L461-R465 HydrophobicContact CD1-CG 4.05Å; L461-R465 HydrophobicContact CG-CG 4.36Å; L461-R465 WeakPolarHBondContact O-CG 3.2Å; L461-R465 PolarHBondContact O-N 3.09Å
462	T	77.3	Confident	73.3	Confident	71 Å²	71	79.7 Å²	79.7	44%	0.436	43%	0.426	S	S	.	.	H	α-helix	trans	-62.8	-43.6	178.4	-56.8	0	0	0	0	111.2	S458 N460 H464 R465 K466	S458-T462 WeakPolarHBondContact O-CB 3.47Å; S458-T462 PolarHBondContact O-N 3.37Å; S458-T462 PolarHBondContact O-OG1 2.98Å; N460-T462 VanDerWaalsContact C-N 3.34Å; T462-H464 VanDerWaalsContact C-N 3.3Å; T462-R465 PolarHBondContact O-N 3.28Å; T462-K466 WeakPolarHBondContact O-CG 3.29Å; T462-K466 PolarHBondContact O-N 3.49Å
463	A	72.4	Confident	72.6	Confident	55 Å²	55	84.1 Å²	84.1	46%	0.455	42%	0.422	S	S	.	.	H	α-helix	trans	-64.8	-36.5	173.9	0	0	0	0	0	112	S459 N460 L461 K466	S459-A463 WeakPolarHBondContact O-CB 3.36Å; S459-A463 PolarHBondContact O-N 3.42Å; N460-A463 PolarHBondContact O-N 3.41Å; L461-A463 PolarHBondContact O-N 3.42Å; A463-K466 WeakPolarHBondContact O-CB 3.45Å
464	H	75.3	Confident	71.9	Confident	18 Å²	18	81.2 Å²	81.2	8%	0.083	41%	0.408	C	S	.	.	H	α-helix	trans	-69.8	-40.5	176.5	173.8	70.5	0	0	0	113	C448 C451 F455 N460 L461 T462 K466 I467 H468	C448-H464 VanDerWaalsContact SG-CD2 3.5Å; C451-H464 PolarHBondContact SG-NE2 2.99Å; F455-H464 HydrophobicContact CE1-CB 4.07Å; F455-H464 HydrophobicContact CE2-CB 3.7Å; F455-H464 AromaticContact CE2-CD2 3.4Å; F455-H464 VanDerWaalsContact CE2-CD2 3.4Å; F455-H464 WeakPolarHBondContact CE2-CD2 3.49Å; F455-H464 AromaticContact CE2-CG 3.47Å; F455-H464 VanDerWaalsContact CE2-CG 3.47Å; F455-H464 HydrophobicContact CZ-CB 3.43Å; F455-H464 VanDerWaalsContact CZ-CB 3.43Å; F455-H464 AromaticContact CZ-CD2 3.59Å; F455-H464 AromaticContact CZ-CG 3.19Å; F455-H464 AromaticContact CZ-ND1 3.56Å; N460-H464 VanDerWaalsContact O-CB 3.24Å; N460-H464 WeakPolarHBondContact O-CB 3.22Å; N460-H464 PolarHBondContact O-N 3.31Å; L461-H464 CarbonylContact O-C 3.56Å; L461-H464 WeakPolarHBondContact O-CB 3.5Å; L461-H464 PolarHBondContact O-N 3.47Å; L461-H464 VanDerWaalsContact O-N 3.16Å; T462-H464 VanDerWaalsContact C-N 3.3Å; H464-K466 PolarHBondContact O-N 2.9Å; H464-I467 WeakPolarHBondContact O-CB 3.25Å; H464-I467 WeakPolarHBondContact O-CG1 3.48Å; H464-I467 PolarHBondContact O-N 3.06Å; H464-H468 AromaticContact CD2-NE2 3.85Å; H464-H468 AromaticContact CE1-NE2 3.67Å; H464-H468 AromaticContact NE2-CD2 3.8Å; H464-H468 AromaticContact NE2-NE2 3.04Å; H464-H468 PolarHBondContact NE2-NE2 3.37Å
465	R	72.8	Confident	71	Confident	91 Å²	91	84.6 Å²	84.6	34%	0.343	42%	0.417	S	S	.	.	H	α-helix	trans	-59.6	-29.3	177.5	-78.6	-173.9	-176.8	-126.4	-0.3	112.3	D449 L461 T462 I467 H468 T469	D449-R465 IonicContact OD1-NH2 3.38Å; D449-R465 PolarHBondContact OD1-NH2 3.03Å; D449-R465 IonicContact OD2-CZ 3.76Å; D449-R465 IonicContact OD2-NH1 3.64Å; D449-R465 PolarHBondContact OD2-NH1 3.19Å; D449-R465 IonicContact OD2-NH2 3.28Å; D449-R465 PolarHBondContact OD2-NH2 3.06Å; L461-R465 HydrophobicContact CD1-CG 4.05Å; L461-R465 HydrophobicContact CG-CG 4.36Å; L461-R465 WeakPolarHBondContact O-CG 3.2Å; L461-R465 PolarHBondContact O-N 3.09Å; T462-R465 PolarHBondContact O-N 3.28Å; R465-I467 PolarHBondContact O-N 2.98Å; R465-I467 VanDerWaalsContact O-N 3.15Å; R465-H468 PolarHBondContact O-N 3.14Å; R465-T469 PolarHBondContact O-N 3.11Å; R465-T469 VanDerWaalsContact O-N 3.14Å
466	K	71.2	Confident	70.5	Confident	126 Å²	126	82.5 Å²	82.5	55%	0.548	41%	0.408	S	S	.	.	H	α-helix	trans	-63.2	-15.3	173	-65.3	177.4	-177.5	-172.7	0	114.2	T462 A463 H464 T469	T462-K466 WeakPolarHBondContact O-CG 3.29Å; T462-K466 PolarHBondContact O-N 3.49Å; A463-K466 WeakPolarHBondContact O-CB 3.45Å; H464-K466 PolarHBondContact O-N 2.9Å; K466-T469 WeakPolarHBondContact CA-OG1 3.36Å; K466-T469 VanDerWaalsContact O-O 3.07Å; K466-T469 PolarHBondContact O-OG1 2.76Å
467	I	66	Low	69.9	Low	103 Å²	103	85.4 Å²	85.4	53%	0.528	43%	0.434	S	S	.	.	H	α-helix	trans	-78.2	-31.8	174	-55.8	172.9	0	0	0	110.4	H464 R465	H464-I467 WeakPolarHBondContact O-CB 3.25Å; H464-I467 WeakPolarHBondContact O-CG1 3.48Å; H464-I467 PolarHBondContact O-N 3.06Å; R465-I467 PolarHBondContact O-N 2.98Å; R465-I467 VanDerWaalsContact O-N 3.15Å
468	H	67.3	Low	69.1	Low	60 Å²	60	87.7 Å²	87.7	28%	0.278	45%	0.452	S	S	.	.	H	α-helix	trans	-83.6	-37.7	-179.9	-62.8	-60.3	0	0	0	112.7	C448 L450 C451 H464 R465 Q470	C448-H468 PolarHBondContact SG-CD2 3.41Å; C448-H468 PolarHBondContact SG-NE2 3.49Å; L450-H468 HydrophobicContact CB-CB 4.45Å; L450-H468 HydrophobicContact CD1-CB 3.33Å; C451-H468 VanDerWaalsContact SG-CE1 3.59Å; C451-H468 PolarHBondContact SG-NE2 3.38Å; H464-H468 AromaticContact CD2-NE2 3.85Å; H464-H468 AromaticContact CE1-NE2 3.67Å; H464-H468 AromaticContact NE2-CD2 3.8Å; H464-H468 AromaticContact NE2-NE2 3.04Å; H464-H468 PolarHBondContact NE2-NE2 3.37Å; R465-H468 PolarHBondContact O-N 3.14Å; H468-Q470 PolarHBondContact O-N 3.09Å
469	T	62.2	Low	68.9	Low	75 Å²	75	87.5 Å²	87.5	46%	0.46	45%	0.451	S	S	.	.	S	Bend	trans	-70.6	101.6	168.7	59.7	0	0	0	0	106.6	R465 K466 E471	R465-T469 PolarHBondContact O-N 3.11Å; R465-T469 VanDerWaalsContact O-N 3.14Å; K466-T469 WeakPolarHBondContact CA-OG1 3.36Å; K466-T469 VanDerWaalsContact O-O 3.07Å; K466-T469 PolarHBondContact O-OG1 2.76Å; T469-E471 PolarHBondContact O-N 3.07Å
470	Q	56.4	Low	68.4	Low	148 Å²	148	85.6 Å²	85.6	69%	0.692	44%	0.444	S	S	*	.			trans	-62.1	15.6	-178.9	-65.5	-160.1	-1.1	0	0	114.7	H468 R472	H468-Q470 PolarHBondContact O-N 3.09Å; Q470-R472 PolarHBondContact O-N 2.8Å
471	E	53.2	Low	67.9	Low	170 Å²	170	88.1 Å²	88.1	79%	0.794	45%	0.451	S	S	*	.	S	Bend	trans	-79.3	102.7	172.8	-70.8	-170.3	148.8	0	0	111.1	T469	T469-E471 PolarHBondContact O-N 3.07Å
472	R	56.4	Low	67.3	Low	202 Å²	202	91 Å²	91	76%	0.762	47%	0.469	S	S	*	.			trans	73.4	73.8	168.9	-63.3	-178.9	134.2	173.1	-2.2	115.6	Q470 Y474	Q470-R472 PolarHBondContact O-N 2.8Å; R472-Y474 WeakPolarHBondContact O-CD2 3.22Å; R472-Y474 PolarHBondContact O-N 3.43Å
473	R	62.1	Low	67	Low	158 Å²	158	89.6 Å²	89.6	60%	0.596	46%	0.457	S	S	*	.			trans	-55.9	120	152.3	-69.5	178.8	-176.2	-169.6	4.7	109.7	E475 V482	R473-E475 PolarHBondContact O-N 2.89Å; R473-V482 HydrophobicContact CB-CG1 3.65Å; R473-V482 HydrophobicContact CG-CG1 3.71Å
474	Y	63.2	Low	66.5	Low	67 Å²	67	88.8 Å²	88.8	26%	0.263	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	89.6	171	-68.3	-82.3	0	0	0	108	R472 F483 Y486	R472-Y474 WeakPolarHBondContact O-CD2 3.22Å; R472-Y474 PolarHBondContact O-N 3.43Å; Y474-F483 PolarHBondContact N-O 3.28Å; Y474-F483 WeakPolarHBondContact O-CD2 3.42Å; Y474-F483 PolarHBondContact O-N 3.12Å; Y474-Y486 HydrophobicContact CD1-CD2 4.03Å; Y474-Y486 AromaticContact CE1-CD2 3.87Å; Y474-Y486 HydrophobicContact CE1-CD2 3.87Å; Y474-Y486 HydrophobicContact CE1-CG 4.19Å
475	E	65.8	Low	66	Low	111 Å²	111	90.9 Å²	90.9	52%	0.519	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	133.8	174.9	-170.8	175	171.6	0	0	110.8	R473 A477 R489	R473-E475 PolarHBondContact O-N 2.89Å; E475-A477 PolarHBondContact O-N 2.97Å; E475-R489 VanDerWaalsContact C-CD 3.48Å; E475-R489 WeakPolarHBondContact O-CD 3.38Å; E475-R489 PolarHBondContact O-NH1 3.48Å
476	C	73.9	Confident	65.5	Low	0 Å²	0	91.6 Å²	91.6	0%	0	47%	0.469	C	S	.	.			trans	-76.6	110.3	168.8	179.7	0	0	0	0	109.8	A478 C479 G480 K481 F483 R489 H492 M493 H496	C476-A478 PolarHBondContact O-N 3.37Å; C476-C479 PolarHBondContact O-N 2.98Å; C476-C479 VanDerWaalsContact O-N 3.16Å; C476-G480 WeakPolarHBondContact O-CA 3.47Å; C476-G480 PolarHBondContact O-N 3.39Å; C476-K481 WeakPolarHBondContact CB-O 3.37Å; C476-K481 PolarHBondContact N-O 3.22Å; C476-F483 HydrophobicContact CB-CE2 4.08Å; C476-R489 HydrophobicContact CB-CG 4.48Å; C476-H492 PolarHBondContact SG-CD2 3.42Å; C476-H492 PolarHBondContact SG-NE2 3.05Å; C476-M493 VanDerWaalsContact SG-SD 3.64Å; C476-H496 PolarHBondContact SG-CD2 3.07Å; C476-H496 PolarHBondContact SG-NE2 3.35Å
477	A	69.2	Low	65.2	Low	100 Å²	100	90.5 Å²	90.5	83%	0.826	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-20.4	178.9	0	0	0	0	0	114.4	E475	E475-A477 PolarHBondContact O-N 2.97Å
478	A	67.7	Low	65.3	Low	56 Å²	56	87.2 Å²	87.2	46%	0.463	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-19.4	-178.8	0	0	0	0	0	114.4	C476 M493 H496	C476-A478 PolarHBondContact O-N 3.37Å; A478-M493 HydrophobicContact CB-CE 4.14Å; A478-M493 HydrophobicContact CB-SD 4.45Å; A478-H496 HydrophobicContact CB-CB 3.75Å; A478-H496 VanDerWaalsContact CB-CG 3.45Å
479	C	75.5	Confident	65.7	Low	56 Å²	56	88 Å²	88	38%	0.378	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.8	13.4	-179	80	0	0	0	0	115.3	C476 K481 H492 H496	C476-C479 PolarHBondContact O-N 2.98Å; C476-C479 VanDerWaalsContact O-N 3.16Å; C479-K481 PolarHBondContact O-N 3.1Å; C479-H492 PolarHBondContact SG-NE2 3.4Å; C479-H496 VanDerWaalsContact CB-CE1 3.42Å; C479-H496 WeakPolarHBondContact CB-CE1 3.35Å; C479-H496 VanDerWaalsContact SG-CE1 3.52Å; C479-H496 PolarHBondContact SG-NE2 2.89Å
480	G	69.3	Low	65.8	Low	39 Å²	39	92 Å²	92	40%	0.402	46%	0.462	S	S	.	.			trans	65.9	3.8	177.2	0	0	0	0	0	115.6	C476 V482	C476-G480 WeakPolarHBondContact O-CA 3.47Å; C476-G480 PolarHBondContact O-N 3.39Å; G480-V482 PolarHBondContact O-N 3.49Å
481	K	68.6	Low	66.2	Low	128 Å²	128	92.5 Å²	92.5	56%	0.557	46%	0.458	S	S	*	.			trans	-69.3	127.4	-179.8	-79.9	-176.3	-179.2	177	0	110.2	C476 C479 F483	C476-K481 WeakPolarHBondContact CB-O 3.37Å; C476-K481 PolarHBondContact N-O 3.22Å; C479-K481 PolarHBondContact O-N 3.1Å; K481-F483 HydrophobicContact CB-CE2 3.63Å; K481-F483 HydrophobicContact CB-CZ 3.83Å; K481-F483 VanDerWaalsContact O-CD2 3.27Å; K481-F483 WeakPolarHBondContact O-CD2 3.31Å; K481-F483 WeakPolarHBondContact O-CE2 3.16Å
482	V	67.8	Low	67.1	Low	78 Å²	78	85.2 Å²	85.2	47%	0.473	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	128.9	-179.1	177.8	0	0	0	0	110.4	R473 G480	R473-V482 HydrophobicContact CB-CG1 3.65Å; R473-V482 HydrophobicContact CG-CG1 3.71Å; G480-V482 PolarHBondContact O-N 3.49Å
483	F	70.4	Confident	67.5	Low	41 Å²	41	78.6 Å²	78.6	18%	0.18	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	144	176.8	-60.8	-88.8	0	0	0	110.8	Y474 C476 K481 D485 R489 H492	Y474-F483 PolarHBondContact N-O 3.28Å; Y474-F483 WeakPolarHBondContact O-CD2 3.42Å; Y474-F483 PolarHBondContact O-N 3.12Å; C476-F483 HydrophobicContact CB-CE2 4.08Å; K481-F483 HydrophobicContact CB-CE2 3.63Å; K481-F483 HydrophobicContact CB-CZ 3.83Å; K481-F483 VanDerWaalsContact O-CD2 3.27Å; K481-F483 WeakPolarHBondContact O-CD2 3.31Å; K481-F483 WeakPolarHBondContact O-CE2 3.16Å; F483-D485 VanDerWaalsContact C-N 3.27Å; F483-D485 PolarHBondContact O-N 3.27Å; F483-R489 HydrophobicContact CB-CB 3.95Å; F483-R489 HydrophobicContact CD2-CB 3.74Å; F483-R489 HydrophobicContact CD2-CG 3.86Å; F483-R489 HydrophobicContact CE2-CG 4.47Å; F483-R489 HydrophobicContact CG-CB 3.95Å; F483-H492 HydrophobicContact CD1-CB 4.48Å; F483-H492 HydrophobicContact CE1-CB 3.68Å; F483-H492 AromaticContact CE1-CG 3.89Å; F483-H492 HydrophobicContact CE2-CB 3.77Å; F483-H492 AromaticContact CE2-CD2 3.25Å; F483-H492 WeakPolarHBondContact CE2-CD2 3.21Å; F483-H492 AromaticContact CE2-CG 3.45Å; F483-H492 VanDerWaalsContact CE2-CG 3.45Å; F483-H492 AromaticContact CE2-NE2 3.87Å; F483-H492 HydrophobicContact CZ-CB 3.3Å; F483-H492 AromaticContact CZ-CD2 3.35Å; F483-H492 WeakPolarHBondContact CZ-CD2 3.38Å; F483-H492 AromaticContact CZ-CE1 3.89Å; F483-H492 AromaticContact CZ-CG 3.03Å; F483-H492 AromaticContact CZ-ND1 3.41Å; F483-H492 WeakPolarHBondContact CZ-ND1 3.48Å; F483-H492 AromaticContact CZ-NE2 3.85Å
484	G	62.3	Low	67.6	Low	38 Å²	38	73.8 Å²	73.8	39%	0.392	39%	0.393	S	S	.	.	S	Bend	trans	-76.4	-8.6	175.7	0	0	0	0	0	114.5
485	D	63.9	Low	67.6	Low	62 Å²	62	74.8 Å²	74.8	33%	0.332	40%	0.402	S	S	.	.	S	Bend	trans	-145.1	154.8	175.7	72.7	-12.8	0	0	0	113.2	F483 L487 S488 R489	F483-D485 VanDerWaalsContact C-N 3.27Å; F483-D485 PolarHBondContact O-N 3.27Å; D485-L487 VanDerWaalsContact C-N 3.28Å; D485-L487 PolarHBondContact O-N 3.39Å; D485-S488 WeakPolarHBondContact OD1-CA 3.41Å; D485-S488 WeakPolarHBondContact OD1-CB 3.44Å; D485-S488 PolarHBondContact OD1-N 2.95Å; D485-S488 PolarHBondContact OD1-OG 3.44Å; D485-S488 PolarHBondContact OD2-OG 3.11Å; D485-R489 PolarHBondContact O-N 3.32Å
486	Y	63	Low	67.6	Low	106 Å²	106	72.4 Å²	72.4	42%	0.416	39%	0.39	S	S	.	.	H	α-helix	trans	-61.5	-37.8	178.7	173.7	-108.5	0	0	0	112	Y474 R489 R490	Y474-Y486 HydrophobicContact CD1-CD2 4.03Å; Y474-Y486 AromaticContact CE1-CD2 3.87Å; Y474-Y486 HydrophobicContact CE1-CD2 3.87Å; Y474-Y486 HydrophobicContact CE1-CG 4.19Å; Y486-R489 PolarHBondContact O-N 3.46Å; Y486-R490 VanDerWaalsContact O-CB 3.26Å; Y486-R490 WeakPolarHBondContact O-CB 3.27Å; Y486-R490 PolarHBondContact O-N 3.38Å
487	L	65.1	Low	67	Low	103 Å²	103	77.9 Å²	77.9	54%	0.539	42%	0.419	S	S	.	.	H	α-helix	trans	-72.4	-37.1	-175.3	-68.6	176.5	0	0	0	112.4	D485 R490 R491	D485-L487 VanDerWaalsContact C-N 3.28Å; D485-L487 PolarHBondContact O-N 3.39Å; L487-R490 PolarHBondContact O-N 2.83Å; L487-R491 VanDerWaalsContact O-CB 3.32Å; L487-R491 WeakPolarHBondContact O-CB 3.49Å; L487-R491 PolarHBondContact O-N 2.99Å
488	S	68.8	Low	66.4	Low	33 Å²	33	79.1 Å²	79.1	23%	0.231	42%	0.416	C	S	.	.	H	α-helix	trans	-73.7	-35.7	174	-50.4	0	0	0	0	111.4	D485 R491 H492	D485-S488 WeakPolarHBondContact OD1-CA 3.41Å; D485-S488 WeakPolarHBondContact OD1-CB 3.44Å; D485-S488 PolarHBondContact OD1-N 2.95Å; D485-S488 PolarHBondContact OD1-OG 3.44Å; D485-S488 PolarHBondContact OD2-OG 3.11Å; S488-R491 PolarHBondContact O-N 3.28Å; S488-H492 WeakPolarHBondContact O-CB 3.25Å; S488-H492 PolarHBondContact O-N 3.09Å
489	R	75.1	Confident	65.5	Low	76 Å²	76	85.9 Å²	85.9	29%	0.287	44%	0.435	S	S	.	.	H	α-helix	trans	-59.8	-47.1	168.3	-173.2	-172.5	60.7	173.9	5.7	111.2	E475 C476 F483 D485 Y486 R491 H492 M493	E475-R489 VanDerWaalsContact C-CD 3.48Å; E475-R489 WeakPolarHBondContact O-CD 3.38Å; E475-R489 PolarHBondContact O-NH1 3.48Å; C476-R489 HydrophobicContact CB-CG 4.48Å; F483-R489 HydrophobicContact CB-CB 3.95Å; F483-R489 HydrophobicContact CD2-CB 3.74Å; F483-R489 HydrophobicContact CD2-CG 3.86Å; F483-R489 HydrophobicContact CE2-CG 4.47Å; F483-R489 HydrophobicContact CG-CB 3.95Å; D485-R489 PolarHBondContact O-N 3.32Å; Y486-R489 PolarHBondContact O-N 3.46Å; R489-R491 VanDerWaalsContact C-N 3.32Å; R489-R491 PolarHBondContact O-N 2.99Å; R489-H492 CarbonylContact O-C 3.53Å; R489-H492 WeakPolarHBondContact O-CA 3.48Å; R489-H492 WeakPolarHBondContact O-CB 3.45Å; R489-H492 PolarHBondContact O-N 2.93Å; R489-H492 VanDerWaalsContact O-N 3.1Å; R489-M493 PolarHBondContact O-N 3.17Å
490	R	63.8	Low	64.4	Low	160 Å²	160	92.3 Å²	92.3	60%	0.604	46%	0.457	S	S	*	.	H	α-helix	trans	-61.8	-40.3	179.7	-172.5	176.5	-176.5	177.5	4	111.8	Y486 L487 H492 M493	Y486-R490 VanDerWaalsContact O-CB 3.26Å; Y486-R490 WeakPolarHBondContact O-CB 3.27Å; Y486-R490 PolarHBondContact O-N 3.38Å; L487-R490 PolarHBondContact O-N 2.83Å; R490-H492 VanDerWaalsContact C-N 3.34Å; R490-M493 PolarHBondContact O-N 3.2Å
491	R	66.1	Low	64	Low	159 Å²	159	98 Å²	98	60%	0.6	47%	0.466	S	S	*	.	H	α-helix	trans	-67.1	-35.1	173.5	-167.7	-171.7	-51	138.5	10.7	112.2	L487 S488 R489 S494 R512	L487-R491 VanDerWaalsContact O-CB 3.32Å; L487-R491 WeakPolarHBondContact O-CB 3.49Å; L487-R491 PolarHBondContact O-N 2.99Å; S488-R491 PolarHBondContact O-N 3.28Å; R489-R491 VanDerWaalsContact C-N 3.32Å; R489-R491 PolarHBondContact O-N 2.99Å; R491-S494 VanDerWaalsContact O-CB 3.28Å; R491-S494 WeakPolarHBondContact O-CB 3.28Å; R491-S494 PolarHBondContact O-N 3.3Å; R491-S494 PolarHBondContact O-OG 3.49Å; R491-R512 PolarHBondContact O-NH2 2.81Å
492	H	71.3	Confident	63.9	Low	17 Å²	17	93.9 Å²	93.9	8%	0.079	45%	0.451	C	S	.	.	H	α-helix	trans	-70.9	-35.7	174.3	170	78.6	0	0	0	112.1	C476 C479 F483 S488 R489 R490 S494 I495 H496	C476-H492 PolarHBondContact SG-CD2 3.42Å; C476-H492 PolarHBondContact SG-NE2 3.05Å; C479-H492 PolarHBondContact SG-NE2 3.4Å; F483-H492 HydrophobicContact CD1-CB 4.48Å; F483-H492 HydrophobicContact CE1-CB 3.68Å; F483-H492 AromaticContact CE1-CG 3.89Å; F483-H492 HydrophobicContact CE2-CB 3.77Å; F483-H492 AromaticContact CE2-CD2 3.25Å; F483-H492 WeakPolarHBondContact CE2-CD2 3.21Å; F483-H492 AromaticContact CE2-CG 3.45Å; F483-H492 VanDerWaalsContact CE2-CG 3.45Å; F483-H492 AromaticContact CE2-NE2 3.87Å; F483-H492 HydrophobicContact CZ-CB 3.3Å; F483-H492 AromaticContact CZ-CD2 3.35Å; F483-H492 WeakPolarHBondContact CZ-CD2 3.38Å; F483-H492 AromaticContact CZ-CE1 3.89Å; F483-H492 AromaticContact CZ-CG 3.03Å; F483-H492 AromaticContact CZ-ND1 3.41Å; F483-H492 WeakPolarHBondContact CZ-ND1 3.48Å; F483-H492 AromaticContact CZ-NE2 3.85Å; S488-H492 WeakPolarHBondContact O-CB 3.25Å; S488-H492 PolarHBondContact O-N 3.09Å; R489-H492 CarbonylContact O-C 3.53Å; R489-H492 WeakPolarHBondContact O-CA 3.48Å; R489-H492 WeakPolarHBondContact O-CB 3.45Å; R489-H492 PolarHBondContact O-N 2.93Å; R489-H492 VanDerWaalsContact O-N 3.1Å; R490-H492 VanDerWaalsContact C-N 3.34Å; H492-S494 PolarHBondContact O-N 2.95Å; H492-S494 VanDerWaalsContact O-N 3.1Å; H492-I495 WeakPolarHBondContact O-CB 3.47Å; H492-I495 VanDerWaalsContact O-CG1 3.27Å; H492-I495 WeakPolarHBondContact O-CG1 3.24Å; H492-I495 PolarHBondContact O-N 3.31Å; H492-H496 AromaticContact CD2-NE2 3.79Å; H492-H496 AromaticContact CE1-NE2 3.57Å; H492-H496 AromaticContact NE2-CD2 3.72Å; H492-H496 AromaticContact NE2-NE2 2.99Å; H492-H496 PolarHBondContact NE2-NE2 3.04Å
493	M	64.1	Low	64.1	Low	63 Å²	63	96.3 Å²	96.3	31%	0.31	46%	0.457	S	S	.	.	H	α-helix	trans	-61.1	-21.5	175.8	-157.8	66.5	-178.2	0	0	112.4	C476 A478 R489 R490 I495 H496 L497	C476-M493 VanDerWaalsContact SG-SD 3.64Å; A478-M493 HydrophobicContact CB-CE 4.14Å; A478-M493 HydrophobicContact CB-SD 4.45Å; R489-M493 PolarHBondContact O-N 3.17Å; R490-M493 PolarHBondContact O-N 3.2Å; M493-I495 PolarHBondContact O-N 3.3Å; M493-I495 VanDerWaalsContact O-N 3.14Å; M493-H496 PolarHBondContact O-N 3.15Å; M493-H496 VanDerWaalsContact O-N 3.12Å; M493-H496 HydrophobicContact SD-CB 4.45Å; M493-L497 HydrophobicContact CG-CD1 3.98Å; M493-L497 PolarHBondContact O-N 2.98Å; M493-L497 VanDerWaalsContact O-N 3.07Å
494	S	64.1	Low	64.5	Low	57 Å²	57	94.4 Å²	94.4	40%	0.399	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-10.2	170.1	100	0	0	0	0	113.9	R491 H492 R512	R491-S494 VanDerWaalsContact O-CB 3.28Å; R491-S494 WeakPolarHBondContact O-CB 3.28Å; R491-S494 PolarHBondContact O-N 3.3Å; R491-S494 PolarHBondContact O-OG 3.49Å; H492-S494 PolarHBondContact O-N 2.95Å; H492-S494 VanDerWaalsContact O-N 3.1Å; S494-R512 PolarHBondContact OG-NH2 3.29Å
495	I	63.3	Low	65.2	Low	88 Å²	88	104.9 Å²	104.9	45%	0.451	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-32.9	175.8	-58.5	175.5	0	0	0	109.9	H492 M493	H492-I495 WeakPolarHBondContact O-CB 3.47Å; H492-I495 VanDerWaalsContact O-CG1 3.27Å; H492-I495 WeakPolarHBondContact O-CG1 3.24Å; H492-I495 PolarHBondContact O-N 3.31Å; M493-I495 PolarHBondContact O-N 3.3Å; M493-I495 VanDerWaalsContact O-N 3.14Å
496	H	66.1	Low	65.9	Low	61 Å²	61	107.8 Å²	107.8	28%	0.282	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-30.7	-176.6	-58.8	-57.4	0	0	0	112.9	C476 A478 C479 H492 M493 V498	C476-H496 PolarHBondContact SG-CD2 3.07Å; C476-H496 PolarHBondContact SG-NE2 3.35Å; A478-H496 HydrophobicContact CB-CB 3.75Å; A478-H496 VanDerWaalsContact CB-CG 3.45Å; C479-H496 VanDerWaalsContact CB-CE1 3.42Å; C479-H496 WeakPolarHBondContact CB-CE1 3.35Å; C479-H496 VanDerWaalsContact SG-CE1 3.52Å; C479-H496 PolarHBondContact SG-NE2 2.89Å; H492-H496 AromaticContact CD2-NE2 3.79Å; H492-H496 AromaticContact CE1-NE2 3.57Å; H492-H496 AromaticContact NE2-CD2 3.72Å; H492-H496 AromaticContact NE2-NE2 2.99Å; H492-H496 PolarHBondContact NE2-NE2 3.04Å; M493-H496 PolarHBondContact O-N 3.15Å; M493-H496 VanDerWaalsContact O-N 3.12Å; M493-H496 HydrophobicContact SD-CB 4.45Å; H496-V498 PolarHBondContact O-N 2.86Å
497	L	61.8	Low	66.7	Low	114 Å²	114	105.1 Å²	105.1	60%	0.597	49%	0.485	S	S	*	.			trans	-75.8	92.2	170.9	-76.1	151.3	0	0	0	108.8	M493 K499	M493-L497 HydrophobicContact CG-CD1 3.98Å; M493-L497 PolarHBondContact O-N 2.98Å; M493-L497 VanDerWaalsContact O-N 3.07Å; L497-K499 PolarHBondContact O-N 2.95Å
498	V	55.6	Low	67	Low	126 Å²	126	102.8 Å²	102.8	76%	0.764	49%	0.486	S	S	*	.			trans	-60.9	1.6	176.2	177.5	0	0	0	0	113.3	H496 K500	H496-V498 PolarHBondContact O-N 2.86Å; V498-K500 PolarHBondContact O-N 2.72Å
499	K	50.6	Low	67.3	Low	198 Å²	198	107.3 Å²	107.3	86%	0.861	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	113.7	-180	-108.6	175.6	179	174.1	0	113.1	L497	L497-K499 PolarHBondContact O-N 2.95Å
500	K	51.6	Low	67.3	Low	192 Å²	192	105.6 Å²	105.6	84%	0.835	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	68	176.3	-79.4	-175.2	171.4	176.5	0	116.2	V498	V498-K500 PolarHBondContact O-N 2.72Å
501	R	60.2	Low	67.8	Low	157 Å²	157	99.9 Å²	99.9	59%	0.592	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-58.8	136.6	141.3	-65.4	-178.7	179.4	-114.4	2	108	A510 F511	R501-A510 HydrophobicContact CB-CB 3.8Å; R501-A510 HydrophobicContact CG-CB 4.34Å; R501-F511 CarbonylContact C-O 3.55Å; R501-F511 WeakPolarHBondContact CA-O 3.31Å; R501-F511 WeakPolarHBondContact CB-O 3.48Å
502	V	67.4	Low	68	Low	42 Å²	42	98.5 Å²	98.5	26%	0.255	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	118.5	174.2	-163.6	0	0	0	0	107.5	F511 Q514 L517	V502-F511 PolarHBondContact N-O 3.27Å; V502-F511 PolarHBondContact O-N 3.05Å; V502-Q514 VanDerWaalsContact CG1-OE1 3.25Å; V502-L517 HydrophobicContact CB-CD2 4.01Å; V502-L517 HydrophobicContact CG1-CD2 3.33Å
503	E	72.1	Confident	68	Low	129 Å²	129	101 Å²	101	60%	0.603	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	139.4	-177.5	-70.7	168.2	-167.2	0	0	111.1	R505 K509 A510	E503-R505 PolarHBondContact O-N 3.48Å; E503-K509 WeakPolarHBondContact CA-O 3.34Å; E503-A510 HydrophobicContact CG-CB 4.04Å
504	C	79.1	Confident	68.5	Low	1 Å²	1	103.9 Å²	103.9	1%	0.007	50%	0.504	C	S	.	.			trans	-72.9	115.6	168.1	177.8	0	0	0	0	109.1	Q506 C507 G508 K509 F511 L517 M521 H524	C504-Q506 PolarHBondContact O-N 3.44Å; C504-Q506 VanDerWaalsContact O-N 3.11Å; C504-Q506 PolarHBondContact SG-N 3.3Å; C504-Q506 VanDerWaalsContact SG-N 3.44Å; C504-C507 PolarHBondContact O-N 3.45Å; C504-G508 WeakPolarHBondContact O-CA 3.47Å; C504-G508 PolarHBondContact O-N 2.72Å; C504-K509 PolarHBondContact N-O 3.35Å; C504-F511 HydrophobicContact CB-CE2 4.05Å; C504-L517 HydrophobicContact CB-CD1 3.56Å; C504-M521 HydrophobicContact CB-SD 4.44Å; C504-M521 PolarHBondContact SG-SD 2.92Å; C504-H524 PolarHBondContact SG-NE2 3.4Å; C504-H524 VanDerWaalsContact SG-NE2 3.4Å
505	R	76.9	Confident	69.1	Low	258 Å²	258	105.3 Å²	105.3	97%	0.974	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.8	176.7	-66.7	-175.1	179.3	176.7	-1.9	113.7	E503	E503-R505 PolarHBondContact O-N 3.48Å
506	Q	77.8	Confident	69.8	Low	124 Å²	124	103.5 Å²	103.5	58%	0.579	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-21.8	-176.1	-168.3	160.6	2.4	0	0	114.3	C504	C504-Q506 PolarHBondContact O-N 3.44Å; C504-Q506 VanDerWaalsContact O-N 3.11Å; C504-Q506 PolarHBondContact SG-N 3.3Å; C504-Q506 VanDerWaalsContact SG-N 3.44Å
507	C	80.6	Confident	70.5	Confident	50 Å²	50	101.2 Å²	101.2	34%	0.338	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.7	8.4	-179.5	72.1	0	0	0	0	115.1	C504 K509 H520 H524	C504-C507 PolarHBondContact O-N 3.45Å; C507-K509 PolarHBondContact O-N 3Å; C507-H520 PolarHBondContact SG-NE2 3.21Å; C507-H524 PolarHBondContact SG-NE2 3.07Å
508	G	71.1	Confident	71.4	Confident	54 Å²	54	102.6 Å²	102.6	56%	0.557	50%	0.498	S	S	*	.			trans	68.4	-4.1	177.5	0	0	0	0	0	115.7	C504 A510	C504-G508 WeakPolarHBondContact O-CA 3.47Å; C504-G508 PolarHBondContact O-N 2.72Å; G508-A510 PolarHBondContact O-N 3.21Å
509	K	74.8	Confident	72.5	Confident	128 Å²	128	99 Å²	99	56%	0.557	48%	0.476	S	S	*	.			trans	-64.8	132.2	-178.7	-70.2	179.4	-176.9	175.6	0	111.1	E503 C504 C507 F511	E503-K509 WeakPolarHBondContact CA-O 3.34Å; C504-K509 PolarHBondContact N-O 3.35Å; C507-K509 PolarHBondContact O-N 3Å; K509-F511 HydrophobicContact CB-CE2 3.57Å; K509-F511 HydrophobicContact CB-CZ 3.77Å; K509-F511 WeakPolarHBondContact O-CD2 3.33Å; K509-F511 WeakPolarHBondContact O-CE2 3.38Å
510	A	74.6	Confident	74	Confident	39 Å²	39	90.8 Å²	90.8	32%	0.322	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	120	-174	0	0	0	0	0	112	R501 E503 G508	R501-A510 HydrophobicContact CB-CB 3.8Å; R501-A510 HydrophobicContact CG-CB 4.34Å; E503-A510 HydrophobicContact CG-CB 4.04Å; G508-A510 PolarHBondContact O-N 3.21Å
511	F	74.9	Confident	75.3	Confident	40 Å²	40	84.4 Å²	84.4	18%	0.175	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	150.3	-173.5	-65.6	-86.8	0	0	0	112.8	R501 V502 C504 K509 N513 L517 H520	R501-F511 CarbonylContact C-O 3.55Å; R501-F511 WeakPolarHBondContact CA-O 3.31Å; R501-F511 WeakPolarHBondContact CB-O 3.48Å; V502-F511 PolarHBondContact N-O 3.27Å; V502-F511 PolarHBondContact O-N 3.05Å; C504-F511 HydrophobicContact CB-CE2 4.05Å; K509-F511 HydrophobicContact CB-CE2 3.57Å; K509-F511 HydrophobicContact CB-CZ 3.77Å; K509-F511 WeakPolarHBondContact O-CD2 3.33Å; K509-F511 WeakPolarHBondContact O-CE2 3.38Å; F511-N513 VanDerWaalsContact C-N 3.3Å; F511-N513 PolarHBondContact O-N 3.15Å; F511-L517 HydrophobicContact CB-CB 4.17Å; F511-L517 HydrophobicContact CD2-CB 4.16Å; F511-L517 HydrophobicContact CD2-CD1 3.59Å; F511-L517 HydrophobicContact CD2-CG 4.47Å; F511-L517 HydrophobicContact CE2-CD1 3.89Å; F511-L517 HydrophobicContact CG-CB 4.24Å; F511-L517 HydrophobicContact CG-CD1 4.46Å; F511-H520 HydrophobicContact CD1-CB 4.28Å; F511-H520 HydrophobicContact CE1-CB 3.56Å; F511-H520 AromaticContact CE1-CG 3.7Å; F511-H520 HydrophobicContact CE2-CB 3.98Å; F511-H520 AromaticContact CE2-CD2 3.21Å; F511-H520 WeakPolarHBondContact CE2-CD2 3.49Å; F511-H520 AromaticContact CE2-CG 3.55Å; F511-H520 AromaticContact CE2-NE2 3.77Å; F511-H520 HydrophobicContact CZ-CB 3.41Å; F511-H520 VanDerWaalsContact CZ-CB 3.41Å; F511-H520 AromaticContact CZ-CD2 3.2Å; F511-H520 WeakPolarHBondContact CZ-CD2 3.3Å; F511-H520 AromaticContact CZ-CE1 3.83Å; F511-H520 AromaticContact CZ-CG 3.02Å; F511-H520 AromaticContact CZ-ND1 3.47Å; F511-H520 WeakPolarHBondContact CZ-ND1 3.27Å; F511-H520 AromaticContact CZ-NE2 3.69Å
512	R	69.1	Low	76.5	Confident	131 Å²	131	78.8 Å²	78.8	49%	0.494	39%	0.394	S	S	.	.	S	Bend	trans	-65.7	-29.9	-177.4	-177.7	176.3	175.2	179.5	0.5	113.3	R491 S494	R491-R512 PolarHBondContact O-NH2 2.81Å; S494-R512 PolarHBondContact OG-NH2 3.29Å
513	N	72.3	Confident	77	Confident	69 Å²	69	80.7 Å²	80.7	37%	0.369	41%	0.409	S	S	.	.	S	Bend	trans	-154.9	167	178.8	62.4	41.2	0	0	0	112.2	F511 S515 T516 L517	F511-N513 VanDerWaalsContact C-N 3.3Å; F511-N513 PolarHBondContact O-N 3.15Å; N513-S515 VanDerWaalsContact C-N 3.29Å; N513-S515 PolarHBondContact O-N 3Å; N513-S515 PolarHBondContact OD1-N 3.17Å; N513-T516 PolarHBondContact N-OG1 2.86Å; N513-T516 PolarHBondContact O-N 3.44Å; N513-T516 PolarHBondContact O-OG1 3.14Å; N513-T516 WeakPolarHBondContact OD1-CB 3.44Å; N513-T516 WeakPolarHBondContact OD1-CG2 3.42Å; N513-T516 PolarHBondContact OD1-N 3.13Å; N513-T516 PolarHBondContact OD1-OG1 3.33Å; N513-L517 PolarHBondContact O-N 3.41Å; N513-L517 VanDerWaalsContact O-N 3.15Å
514	Q	73.9	Confident	77.3	Confident	123 Å²	123	77.5 Å²	77.5	58%	0.575	39%	0.394	S	S	*	.	H	α-helix	trans	-58.7	-36	-179.6	-166.8	67.6	17	0	0	113.2	V502 L517 K518	V502-Q514 VanDerWaalsContact CG1-OE1 3.25Å; Q514-L517 PolarHBondContact O-N 3.38Å; Q514-K518 PolarHBondContact O-N 3.36Å
515	S	77.5	Confident	77.3	Confident	87 Å²	87	81.1 Å²	81.1	61%	0.608	42%	0.416	S	S	*	.	H	α-helix	trans	-65.3	-42.1	179.8	-54.7	0	0	0	0	111.8	N513 K518 T519	N513-S515 VanDerWaalsContact C-N 3.29Å; N513-S515 PolarHBondContact O-N 3Å; N513-S515 PolarHBondContact OD1-N 3.17Å; S515-K518 PolarHBondContact O-N 3.11Å; S515-T519 PolarHBondContact O-N 3.08Å; S515-T519 PolarHBondContact O-OG1 2.8Å
516	T	78.2	Confident	77.3	Confident	50 Å²	50	71.2 Å²	71.2	31%	0.307	40%	0.395	S	S	.	.	H	α-helix	trans	-67.8	-35.1	175.8	50.5	0	0	0	0	112.4	N513 T519 H520	N513-T516 PolarHBondContact N-OG1 2.86Å; N513-T516 PolarHBondContact O-N 3.44Å; N513-T516 PolarHBondContact O-OG1 3.14Å; N513-T516 WeakPolarHBondContact OD1-CB 3.44Å; N513-T516 WeakPolarHBondContact OD1-CG2 3.42Å; N513-T516 PolarHBondContact OD1-N 3.13Å; N513-T516 PolarHBondContact OD1-OG1 3.33Å; T516-T519 WeakPolarHBondContact CA-OG1 3.44Å; T516-T519 PolarHBondContact O-OG1 3.28Å; T516-H520 WeakPolarHBondContact O-CB 2.99Å; T516-H520 PolarHBondContact O-N 3.12Å
517	L	80.5	Confident	77.3	Confident	14 Å²	14	70.7 Å²	70.7	7%	0.073	39%	0.392	C	S	.	.	H	α-helix	trans	-64.8	-45.5	170.7	176	63	0	0	0	110.7	V502 C504 F511 N513 Q514 T519 H520 M521	V502-L517 HydrophobicContact CB-CD2 4.01Å; V502-L517 HydrophobicContact CG1-CD2 3.33Å; C504-L517 HydrophobicContact CB-CD1 3.56Å; F511-L517 HydrophobicContact CB-CB 4.17Å; F511-L517 HydrophobicContact CD2-CB 4.16Å; F511-L517 HydrophobicContact CD2-CD1 3.59Å; F511-L517 HydrophobicContact CD2-CG 4.47Å; F511-L517 HydrophobicContact CE2-CD1 3.89Å; F511-L517 HydrophobicContact CG-CB 4.24Å; F511-L517 HydrophobicContact CG-CD1 4.46Å; N513-L517 PolarHBondContact O-N 3.41Å; N513-L517 VanDerWaalsContact O-N 3.15Å; Q514-L517 PolarHBondContact O-N 3.38Å; L517-T519 VanDerWaalsContact C-N 3.33Å; L517-T519 PolarHBondContact O-N 3.41Å; L517-H520 CarbonylContact O-C 3.45Å; L517-H520 WeakPolarHBondContact O-CA 3.4Å; L517-H520 WeakPolarHBondContact O-CB 3.31Å; L517-H520 PolarHBondContact O-N 2.87Å; L517-M521 HydrophobicContact CD1-CG 4.23Å; L517-M521 HydrophobicContact CD1-SD 4.01Å; L517-M521 HydrophobicContact CG-CG 4.27Å; L517-M521 WeakPolarHBondContact O-CG 3.48Å; L517-M521 PolarHBondContact O-N 2.76Å
518	K	80.1	Confident	77.5	Confident	142 Å²	142	74.4 Å²	74.4	62%	0.617	40%	0.402	S	S	*	.	H	α-helix	trans	-60.7	-40.3	179.5	-170.4	173.8	-176.4	174.8	0	112.4	Q514 S515 H520 M521	Q514-K518 PolarHBondContact O-N 3.36Å; S515-K518 PolarHBondContact O-N 3.11Å; K518-H520 VanDerWaalsContact C-N 3.32Å; K518-M521 PolarHBondContact O-N 3.29Å
519	T	79.6	Confident	77.9	Confident	50 Å²	50	75.4 Å²	75.4	31%	0.307	40%	0.399	S	S	.	.	H	α-helix	trans	-67.1	-34.7	172.7	49	0	0	0	0	112.4	S515 T516 L517 R522	S515-T519 PolarHBondContact O-N 3.08Å; S515-T519 PolarHBondContact O-OG1 2.8Å; T516-T519 WeakPolarHBondContact CA-OG1 3.44Å; T516-T519 PolarHBondContact O-OG1 3.28Å; L517-T519 VanDerWaalsContact C-N 3.33Å; L517-T519 PolarHBondContact O-N 3.41Å; T519-R522 WeakPolarHBondContact O-CB 3.4Å; T519-R522 PolarHBondContact O-N 2.95Å
520	H	82.6	Confident	78.3	Confident	27 Å²	27	73.6 Å²	73.6	13%	0.125	39%	0.389	C	S	.	.	H	α-helix	trans	-70.1	-36.6	174.6	168.5	68.4	0	0	0	112.4	C507 F511 T516 L517 K518 R522 S523 H524	C507-H520 PolarHBondContact SG-NE2 3.21Å; F511-H520 HydrophobicContact CD1-CB 4.28Å; F511-H520 HydrophobicContact CE1-CB 3.56Å; F511-H520 AromaticContact CE1-CG 3.7Å; F511-H520 HydrophobicContact CE2-CB 3.98Å; F511-H520 AromaticContact CE2-CD2 3.21Å; F511-H520 WeakPolarHBondContact CE2-CD2 3.49Å; F511-H520 AromaticContact CE2-CG 3.55Å; F511-H520 AromaticContact CE2-NE2 3.77Å; F511-H520 HydrophobicContact CZ-CB 3.41Å; F511-H520 VanDerWaalsContact CZ-CB 3.41Å; F511-H520 AromaticContact CZ-CD2 3.2Å; F511-H520 WeakPolarHBondContact CZ-CD2 3.3Å; F511-H520 AromaticContact CZ-CE1 3.83Å; F511-H520 AromaticContact CZ-CG 3.02Å; F511-H520 AromaticContact CZ-ND1 3.47Å; F511-H520 WeakPolarHBondContact CZ-ND1 3.27Å; F511-H520 AromaticContact CZ-NE2 3.69Å; T516-H520 WeakPolarHBondContact O-CB 2.99Å; T516-H520 PolarHBondContact O-N 3.12Å; L517-H520 CarbonylContact O-C 3.45Å; L517-H520 WeakPolarHBondContact O-CA 3.4Å; L517-H520 WeakPolarHBondContact O-CB 3.31Å; L517-H520 PolarHBondContact O-N 2.87Å; K518-H520 VanDerWaalsContact C-N 3.32Å; H520-R522 PolarHBondContact O-N 3.45Å; H520-S523 PolarHBondContact ND1-OG 3.14Å; H520-S523 WeakPolarHBondContact O-CB 2.93Å; H520-S523 PolarHBondContact O-N 3.43Å; H520-S523 PolarHBondContact O-OG 3.41Å; H520-H524 AromaticContact CD2-NE2 3.92Å; H520-H524 AromaticContact CE1-NE2 3.5Å; H520-H524 PolarHBondContact CE1-NE2 3.39Å; H520-H524 AromaticContact NE2-CD2 3.77Å; H520-H524 AromaticContact NE2-NE2 3.04Å; H520-H524 PolarHBondContact NE2-NE2 3.34Å
521	M	78.9	Confident	78.7	Confident	58 Å²	58	77.4 Å²	77.4	29%	0.286	40%	0.401	S	S	.	.	H	α-helix	trans	-57.3	-27.4	177.1	-69.4	-52.6	-61.2	0	0	112.4	C504 L517 K518 S523 H524 T525	C504-M521 HydrophobicContact CB-SD 4.44Å; C504-M521 PolarHBondContact SG-SD 2.92Å; L517-M521 HydrophobicContact CD1-CG 4.23Å; L517-M521 HydrophobicContact CD1-SD 4.01Å; L517-M521 HydrophobicContact CG-CG 4.27Å; L517-M521 WeakPolarHBondContact O-CG 3.48Å; L517-M521 PolarHBondContact O-N 2.76Å; K518-M521 PolarHBondContact O-N 3.29Å; M521-S523 PolarHBondContact O-N 3.42Å; M521-H524 WeakPolarHBondContact O-CB 3.32Å; M521-H524 PolarHBondContact O-N 3.02Å; M521-T525 PolarHBondContact O-N 3.46Å; M521-T525 PolarHBondContact O-OG1 3.04Å
522	R	83.6	Confident	79.2	Confident	39 Å²	39	75.6 Å²	75.6	15%	0.147	39%	0.393	C	S	.	.	H	α-helix	trans	-64.8	-19.8	173.4	-61.6	178.6	-176.4	153.7	-1.9	114.2	T519 H520 H524 T525 G526 E527 S540	T519-R522 WeakPolarHBondContact O-CB 3.4Å; T519-R522 PolarHBondContact O-N 2.95Å; H520-R522 PolarHBondContact O-N 3.45Å; R522-H524 VanDerWaalsContact C-N 3.29Å; R522-T525 WeakPolarHBondContact CA-OG1 3.36Å; R522-G526 WeakPolarHBondContact O-CA 2.99Å; R522-G526 PolarHBondContact O-N 2.9Å; R522-E527 HydrophobicContact CB-CB 4.45Å; R522-E527 HydrophobicContact CG-CB 4.24Å; R522-S540 WeakPolarHBondContact CD-O 3.4Å; R522-S540 PolarHBondContact NH1-O 3.14Å
523	S	78.3	Confident	79.9	Confident	82 Å²	82	76.6 Å²	76.6	57%	0.573	41%	0.408	S	S	*	.	H	α-helix	trans	-74.2	-23.6	170.9	72.4	0	0	0	0	112.5	H520 M521	H520-S523 PolarHBondContact ND1-OG 3.14Å; H520-S523 WeakPolarHBondContact O-CB 2.93Å; H520-S523 PolarHBondContact O-N 3.43Å; H520-S523 PolarHBondContact O-OG 3.41Å; M521-S523 PolarHBondContact O-N 3.42Å
524	H	79.3	Confident	80.2	Confident	62 Å²	62	79.2 Å²	79.2	29%	0.287	42%	0.418	S	S	.	.	H	α-helix	trans	-87.2	-40.3	174.8	-62.3	-59.2	0	0	0	111.6	C504 C507 H520 M521 R522	C504-H524 PolarHBondContact SG-NE2 3.4Å; C504-H524 VanDerWaalsContact SG-NE2 3.4Å; C507-H524 PolarHBondContact SG-NE2 3.07Å; H520-H524 AromaticContact CD2-NE2 3.92Å; H520-H524 AromaticContact CE1-NE2 3.5Å; H520-H524 PolarHBondContact CE1-NE2 3.39Å; H520-H524 AromaticContact NE2-CD2 3.77Å; H520-H524 AromaticContact NE2-NE2 3.04Å; H520-H524 PolarHBondContact NE2-NE2 3.34Å; M521-H524 WeakPolarHBondContact O-CB 3.32Å; M521-H524 PolarHBondContact O-N 3.02Å; R522-H524 VanDerWaalsContact C-N 3.29Å
525	T	78.5	Confident	80.7	Confident	77 Å²	77	76 Å²	76	47%	0.472	41%	0.408	S	S	.	.	H	α-helix	trans	-84	-11.3	-179	62.9	0	0	0	0	113.8	M521 R522 E527	M521-T525 PolarHBondContact O-N 3.46Å; M521-T525 PolarHBondContact O-OG1 3.04Å; R522-T525 WeakPolarHBondContact CA-OG1 3.36Å; T525-E527 PolarHBondContact O-N 2.61Å; T525-E527 VanDerWaalsContact O-N 3.13Å; T525-E527 WeakPolarHBondContact OG1-CG 3.44Å
526	G	77.3	Confident	80.8	Confident	50 Å²	50	73.7 Å²	73.7	52%	0.515	40%	0.398	S	S	.	.			trans	69.7	2.1	-175.9	0	0	0	0	0	114.3	R522 K528	R522-G526 WeakPolarHBondContact O-CA 2.99Å; R522-G526 PolarHBondContact O-N 2.9Å; G526-K528 PolarHBondContact O-N 2.78Å
527	E	78.3	Confident	81.1	Confident	112 Å²	112	77.3 Å²	77.3	52%	0.523	41%	0.41	S	S	.	.			trans	-60.2	124.7	-178.8	-76.6	177.6	-163.7	0	0	111.5	R522 T525 P529	R522-E527 HydrophobicContact CB-CB 4.45Å; R522-E527 HydrophobicContact CG-CB 4.24Å; T525-E527 PolarHBondContact O-N 2.61Å; T525-E527 VanDerWaalsContact O-N 3.13Å; T525-E527 WeakPolarHBondContact OG1-CG 3.44Å; E527-P529 WeakPolarHBondContact O-CD 3.06Å
528	K	83.3	Confident	81.3	Confident	128 Å²	128	78.3 Å²	78.3	56%	0.557	42%	0.42	S	S	*	.			trans	-122.1	76.3	176.1	-71.2	168.3	174.4	-176.9	0	110.1	G526 Y530 A538 F539	G526-K528 PolarHBondContact O-N 2.78Å; K528-Y530 PolarHBondContact O-N 2.98Å; K528-Y530 VanDerWaalsContact O-N 3.09Å; K528-A538 HydrophobicContact CB-CB 3.61Å; K528-A538 HydrophobicContact CD-CB 4.26Å; K528-A538 WeakPolarHBondContact CD-O 3.33Å; K528-F539 CarbonylContact C-O 3.51Å; K528-F539 VanDerWaalsContact C-O 3.28Å; K528-F539 WeakPolarHBondContact CA-O 3.2Å
529	P	81.3	Confident	81.5	Confident	75 Å²	75	73.6 Å²	73.6	49%	0.487	40%	0.4	S	S	.	.			trans	-71.9	-4.9	-170.6	-18.2	33.1	0	0	0	115	E527	E527-P529 WeakPolarHBondContact O-CD 3.06Å
530	Y	83.3	Confident	81.6	Confident	91 Å²	91	73.1 Å²	73.1	36%	0.357	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	97.4	-174	-57.7	-77.3	0	0	0	109.6	K528 A538 F539 G542	K528-Y530 PolarHBondContact O-N 2.98Å; K528-Y530 VanDerWaalsContact O-N 3.09Å; Y530-A538 CarbonylContact O-C 3.3Å; Y530-A538 WeakPolarHBondContact O-CA 3.41Å; Y530-F539 WeakPolarHBondContact CD2-O 3.4Å; Y530-F539 PolarHBondContact N-O 3.22Å; Y530-F539 PolarHBondContact O-N 2.81Å; Y530-G542 VanDerWaalsContact CD2-N 3.3Å
531	E	82.4	Confident	81.6	Confident	119 Å²	119	74.8 Å²	74.8	56%	0.556	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	147.3	179.3	-165.7	173.3	165.4	0	0	111.8	L545	E531-L545 VanDerWaalsContact O-CD2 3.28Å; E531-L545 WeakPolarHBondContact O-CD2 3.18Å
532	C	86	Confident	81.7	Confident	1 Å²	1	72.9 Å²	72.9	1%	0.007	40%	0.403	C	S	.	.			trans	-90.7	113.4	174	-174.4	0	0	0	0	110.8	H534 C535 G536 K537 L545	C532-H534 PolarHBondContact O-N 2.84Å; C532-C535 PolarHBondContact O-N 2.88Å; C532-C535 VanDerWaalsContact O-N 3.15Å; C532-G536 WeakPolarHBondContact O-CA 3.29Å; C532-G536 PolarHBondContact O-N 3.34Å; C532-K537 WeakPolarHBondContact CB-O 3.44Å; C532-K537 PolarHBondContact N-O 3.46Å; C532-L545 HydrophobicContact CB-CD1 3.5Å
533	D	83.1	Confident	81.5	Confident	152 Å²	152	74.2 Å²	74.2	81%	0.813	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-22.7	179.8	-48.6	-36.2	0	0	0	114
534	H	79.3	Confident	81.8	Confident	125 Å²	125	73.9 Å²	73.9	58%	0.579	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-26.5	-179.6	-68.9	-66.7	0	0	0	114.6	C532	C532-H534 PolarHBondContact O-N 2.84Å
535	C	83.7	Confident	82	Confident	54 Å²	54	72 Å²	72	37%	0.365	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.6	11.6	-173.3	78.2	0	0	0	0	114.8	C532 K537 H548 H552	C532-C535 PolarHBondContact O-N 2.88Å; C532-C535 VanDerWaalsContact O-N 3.15Å; C535-K537 PolarHBondContact O-N 2.88Å; C535-H548 PolarHBondContact SG-NE2 3.21Å; C535-H552 PolarHBondContact SG-NE2 2.97Å; C535-H552 VanDerWaalsContact SG-NE2 3.37Å
536	G	80.4	Confident	82.1	Confident	40 Å²	40	72.6 Å²	72.6	41%	0.412	40%	0.402	S	S	.	.			trans	66	4.4	177.2	0	0	0	0	0	115.6	C532 A538	C532-G536 WeakPolarHBondContact O-CA 3.29Å; C532-G536 PolarHBondContact O-N 3.34Å; G536-A538 PolarHBondContact O-N 3.43Å
537	K	84	Confident	82.2	Confident	125 Å²	125	72.5 Å²	72.5	54%	0.543	39%	0.391	S	S	.	.			trans	-72	122.2	-178.6	-76.8	-179.4	-178.9	176	0	110.2	C532 C535 F539	C532-K537 WeakPolarHBondContact CB-O 3.44Å; C532-K537 PolarHBondContact N-O 3.46Å; C535-K537 PolarHBondContact O-N 2.88Å; K537-F539 HydrophobicContact CB-CE2 3.84Å; K537-F539 HydrophobicContact CB-CZ 4.08Å; K537-F539 WeakPolarHBondContact O-CD2 3.44Å; K537-F539 VanDerWaalsContact O-CE2 3.24Å; K537-F539 WeakPolarHBondContact O-CE2 3.4Å
538	A	85.3	Confident	82.4	Confident	35 Å²	35	68 Å²	68	29%	0.289	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	140.9	-179.3	0	0	0	0	0	112.8	K528 Y530 G536	K528-A538 HydrophobicContact CB-CB 3.61Å; K528-A538 HydrophobicContact CD-CB 4.26Å; K528-A538 WeakPolarHBondContact CD-O 3.33Å; Y530-A538 CarbonylContact O-C 3.3Å; Y530-A538 WeakPolarHBondContact O-CA 3.41Å; G536-A538 PolarHBondContact O-N 3.43Å
539	F	84.2	Confident	82.3	Confident	44 Å²	44	66.6 Å²	66.6	19%	0.193	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	147.4	-176.7	-60.5	-90.8	0	0	0	111.4	K528 Y530 K537 I541 N544 L545 H548	K528-F539 CarbonylContact C-O 3.51Å; K528-F539 VanDerWaalsContact C-O 3.28Å; K528-F539 WeakPolarHBondContact CA-O 3.2Å; Y530-F539 WeakPolarHBondContact CD2-O 3.4Å; Y530-F539 PolarHBondContact N-O 3.22Å; Y530-F539 PolarHBondContact O-N 2.81Å; K537-F539 HydrophobicContact CB-CE2 3.84Å; K537-F539 HydrophobicContact CB-CZ 4.08Å; K537-F539 WeakPolarHBondContact O-CD2 3.44Å; K537-F539 VanDerWaalsContact O-CE2 3.24Å; K537-F539 WeakPolarHBondContact O-CE2 3.4Å; F539-I541 VanDerWaalsContact C-N 3.32Å; F539-N544 HydrophobicContact CB-CB 4.36Å; F539-N544 HydrophobicContact CD1-CB 3.88Å; F539-N544 HydrophobicContact CG-CB 4.35Å; F539-L545 HydrophobicContact CB-CB 4.36Å; F539-L545 HydrophobicContact CD2-CB 3.88Å; F539-L545 HydrophobicContact CD2-CD1 3.8Å; F539-L545 HydrophobicContact CD2-CG 4.45Å; F539-L545 HydrophobicContact CE2-CD1 3.96Å; F539-L545 HydrophobicContact CG-CB 4.29Å; F539-H548 HydrophobicContact CE1-CB 4.07Å; F539-H548 HydrophobicContact CE2-CB 3.79Å; F539-H548 AromaticContact CE2-CD2 3.5Å; F539-H548 AromaticContact CE2-CG 3.59Å; F539-H548 HydrophobicContact CZ-CB 3.42Å; F539-H548 VanDerWaalsContact CZ-CB 3.42Å; F539-H548 AromaticContact CZ-CD2 3.63Å; F539-H548 AromaticContact CZ-CG 3.24Å; F539-H548 AromaticContact CZ-ND1 3.69Å
540	S	81.1	Confident	82.4	Confident	39 Å²	39	65.7 Å²	65.7	27%	0.273	35%	0.348	S	S	.	.	S	Bend	trans	-77.5	-17.9	177	55.1	0	0	0	0	113.4	R522	R522-S540 WeakPolarHBondContact CD-O 3.4Å; R522-S540 PolarHBondContact NH1-O 3.14Å
541	I	81.7	Confident	82.2	Confident	62 Å²	62	66.9 Å²	66.9	32%	0.318	36%	0.36	S	S	.	.	S	Bend	trans	-135.9	129.3	-177.9	-49.3	176.1	0	0	0	109.7	F539 S543 N544 L545	F539-I541 VanDerWaalsContact C-N 3.32Å; I541-S543 VanDerWaalsContact C-N 3.29Å; I541-S543 VanDerWaalsContact CG2-OG 3.26Å; I541-S543 WeakPolarHBondContact CG2-OG 3.21Å; I541-S543 PolarHBondContact O-N 3.29Å; I541-N544 WeakPolarHBondContact O-CB 3.26Å; I541-N544 PolarHBondContact O-N 2.88Å; I541-L545 PolarHBondContact O-N 3.22Å
542	G	81.3	Confident	82	Confident	18 Å²	18	65 Å²	65	19%	0.186	35%	0.351	C	S	.	.	H	α-helix	trans	-64.9	-23.6	-177.4	0	0	0	0	0	115.3	Y530 N544 L545 N546	Y530-G542 VanDerWaalsContact CD2-N 3.3Å; G542-N544 VanDerWaalsContact C-N 3.28Å; G542-N544 PolarHBondContact O-N 2.74Å; G542-L545 PolarHBondContact O-N 2.93Å; G542-N546 PolarHBondContact O-N 3.4Å
543	S	80.3	Confident	81.5	Confident	68 Å²	68	68.4 Å²	68.4	48%	0.476	37%	0.372	S	S	.	.	H	α-helix	trans	-64.1	-35.1	171.3	54.5	0	0	0	0	112.1	I541 N546 V547	I541-S543 VanDerWaalsContact C-N 3.29Å; I541-S543 VanDerWaalsContact CG2-OG 3.26Å; I541-S543 WeakPolarHBondContact CG2-OG 3.21Å; I541-S543 PolarHBondContact O-N 3.29Å; S543-N546 PolarHBondContact O-N 2.82Å; S543-V547 WeakPolarHBondContact O-CG2 3.34Å; S543-V547 PolarHBondContact O-N 3.03Å
544	N	84	Confident	81.2	Confident	75 Å²	75	63.6 Å²	63.6	40%	0.401	36%	0.358	S	S	.	.	H	α-helix	trans	-71.5	-38.7	178.2	-62.5	-1	0	0	0	110.4	F539 I541 G542 N546 V547 H548	F539-N544 HydrophobicContact CB-CB 4.36Å; F539-N544 HydrophobicContact CD1-CB 3.88Å; F539-N544 HydrophobicContact CG-CB 4.35Å; I541-N544 WeakPolarHBondContact O-CB 3.26Å; I541-N544 PolarHBondContact O-N 2.88Å; G542-N544 VanDerWaalsContact C-N 3.28Å; G542-N544 PolarHBondContact O-N 2.74Å; N544-N546 VanDerWaalsContact C-N 3.34Å; N544-N546 PolarHBondContact O-N 3.25Å; N544-V547 PolarHBondContact O-N 3.47Å; N544-H548 VanDerWaalsContact O-CB 3.27Å; N544-H548 WeakPolarHBondContact O-CB 3.17Å; N544-H548 PolarHBondContact O-N 2.89Å
545	L	82.9	Confident	81	Confident	22 Å²	22	63 Å²	63	12%	0.115	36%	0.356	C	S	.	.	H	α-helix	trans	-59.3	-44.4	170.5	174.4	62.6	0	0	0	111.4	E531 C532 F539 I541 G542 V547 H548 R549	E531-L545 VanDerWaalsContact O-CD2 3.28Å; E531-L545 WeakPolarHBondContact O-CD2 3.18Å; C532-L545 HydrophobicContact CB-CD1 3.5Å; F539-L545 HydrophobicContact CB-CB 4.36Å; F539-L545 HydrophobicContact CD2-CB 3.88Å; F539-L545 HydrophobicContact CD2-CD1 3.8Å; F539-L545 HydrophobicContact CD2-CG 4.45Å; F539-L545 HydrophobicContact CE2-CD1 3.96Å; F539-L545 HydrophobicContact CG-CB 4.29Å; I541-L545 PolarHBondContact O-N 3.22Å; G542-L545 PolarHBondContact O-N 2.93Å; L545-V547 PolarHBondContact O-N 2.85Å; L545-H548 WeakPolarHBondContact O-CB 3.47Å; L545-H548 PolarHBondContact O-N 2.95Å; L545-R549 HydrophobicContact CD1-CG 4.24Å; L545-R549 WeakPolarHBondContact O-CG 3.36Å; L545-R549 PolarHBondContact O-N 3.1Å
546	N	80	Confident	80.9	Confident	90 Å²	90	66.6 Å²	66.6	48%	0.481	37%	0.365	S	S	.	.	H	α-helix	trans	-64.7	-37.8	178.3	-79.7	-24	0	0	0	113.3	G542 S543 N544	G542-N546 PolarHBondContact O-N 3.4Å; S543-N546 PolarHBondContact O-N 2.82Å; N544-N546 VanDerWaalsContact C-N 3.34Å; N544-N546 PolarHBondContact O-N 3.25Å
547	V	80	Confident	80.7	Confident	48 Å²	48	68.3 Å²	68.3	29%	0.291	37%	0.369	S	S	.	.	H	α-helix	trans	-66.6	-42.1	172.3	170.6	0	0	0	0	110.4	S543 N544 L545 R549 R550 D569	S543-V547 WeakPolarHBondContact O-CG2 3.34Å; S543-V547 PolarHBondContact O-N 3.03Å; N544-V547 PolarHBondContact O-N 3.47Å; L545-V547 PolarHBondContact O-N 2.85Å; V547-R549 PolarHBondContact O-N 3.2Å; V547-R550 WeakPolarHBondContact O-CB 3.25Å; V547-R550 PolarHBondContact O-N 3.06Å; V547-D569 HydrophobicContact CG1-CB 3.72Å; V547-D569 HydrophobicContact CG2-CB 4.2Å
548	H	82.8	Confident	80.6	Confident	17 Å²	17	66 Å²	66	8%	0.079	36%	0.357	C	S	.	.	H	α-helix	trans	-62	-40.7	177.4	173.7	68.8	0	0	0	112.6	C535 F539 N544 L545 R550 I551 H552	C535-H548 PolarHBondContact SG-NE2 3.21Å; F539-H548 HydrophobicContact CE1-CB 4.07Å; F539-H548 HydrophobicContact CE2-CB 3.79Å; F539-H548 AromaticContact CE2-CD2 3.5Å; F539-H548 AromaticContact CE2-CG 3.59Å; F539-H548 HydrophobicContact CZ-CB 3.42Å; F539-H548 VanDerWaalsContact CZ-CB 3.42Å; F539-H548 AromaticContact CZ-CD2 3.63Å; F539-H548 AromaticContact CZ-CG 3.24Å; F539-H548 AromaticContact CZ-ND1 3.69Å; N544-H548 VanDerWaalsContact O-CB 3.27Å; N544-H548 WeakPolarHBondContact O-CB 3.17Å; N544-H548 PolarHBondContact O-N 2.89Å; L545-H548 WeakPolarHBondContact O-CB 3.47Å; L545-H548 PolarHBondContact O-N 2.95Å; H548-R550 PolarHBondContact O-N 2.82Å; H548-R550 VanDerWaalsContact O-N 3.12Å; H548-I551 VanDerWaalsContact O-CB 3.23Å; H548-I551 WeakPolarHBondContact O-CB 3.44Å; H548-I551 WeakPolarHBondContact O-CG1 3.37Å; H548-I551 PolarHBondContact O-N 3.49Å; H548-H552 AromaticContact CE1-NE2 3.88Å; H548-H552 AromaticContact NE2-NE2 3.26Å; H548-H552 PolarHBondContact NE2-NE2 2.78Å
549	R	81.9	Confident	80.3	Confident	98 Å²	98	70 Å²	70	37%	0.37	37%	0.37	S	S	.	.	H	α-helix	trans	-58.2	-26.3	176.6	-76.1	-179	70	-123	-3.3	113.2	L545 V547 I551 H552 T553	L545-R549 HydrophobicContact CD1-CG 4.24Å; L545-R549 WeakPolarHBondContact O-CG 3.36Å; L545-R549 PolarHBondContact O-N 3.1Å; V547-R549 PolarHBondContact O-N 3.2Å; R549-I551 PolarHBondContact O-N 2.92Å; R549-H552 WeakPolarHBondContact O-CB 3.48Å; R549-H552 PolarHBondContact O-N 3.46Å; R549-T553 PolarHBondContact O-N 3.45Å; R549-T553 VanDerWaalsContact O-N 3.11Å
550	R	83	Confident	80.2	Confident	56 Å²	56	67.9 Å²	67.9	21%	0.211	36%	0.361	C	S	.	.	H	α-helix	trans	-68.6	-16.1	175.7	-62.2	173.2	-173.4	-165.5	-10.1	113.8	V547 H548 H552 T553 G554 E555 S568	V547-R550 WeakPolarHBondContact O-CB 3.25Å; V547-R550 PolarHBondContact O-N 3.06Å; H548-R550 PolarHBondContact O-N 2.82Å; H548-R550 VanDerWaalsContact O-N 3.12Å; R550-H552 VanDerWaalsContact C-N 3.34Å; R550-T553 WeakPolarHBondContact CA-OG1 3.32Å; R550-G554 WeakPolarHBondContact O-CA 3.22Å; R550-G554 PolarHBondContact O-N 3.42Å; R550-E555 HydrophobicContact CG-CB 4.39Å; R550-E555 PolarHBondContact O-N 2.99Å; R550-S568 VanDerWaalsContact CD-O 3.26Å; R550-S568 WeakPolarHBondContact CD-O 3.48Å; R550-S568 PolarHBondContact NH1-O 3.05Å
551	I	78.5	Confident	80.1	Confident	116 Å²	116	74.3 Å²	74.3	60%	0.595	39%	0.391	S	S	*	.	H	α-helix	trans	-68.6	-39.9	170.4	-58.3	175.2	0	0	0	109.5	H548 R549	H548-I551 VanDerWaalsContact O-CB 3.23Å; H548-I551 WeakPolarHBondContact O-CB 3.44Å; H548-I551 WeakPolarHBondContact O-CG1 3.37Å; H548-I551 PolarHBondContact O-N 3.49Å; R549-I551 PolarHBondContact O-N 2.92Å
552	H	78.7	Confident	79.9	Confident	81 Å²	81	76.2 Å²	76.2	38%	0.375	41%	0.405	S	S	.	.	H	α-helix	trans	-75.6	-37	178.9	-57.4	-53.7	0	0	0	112.3	C535 H548 R549 R550	C535-H552 PolarHBondContact SG-NE2 2.97Å; C535-H552 VanDerWaalsContact SG-NE2 3.37Å; H548-H552 AromaticContact CE1-NE2 3.88Å; H548-H552 AromaticContact NE2-NE2 3.26Å; H548-H552 PolarHBondContact NE2-NE2 2.78Å; R549-H552 WeakPolarHBondContact O-CB 3.48Å; R549-H552 PolarHBondContact O-N 3.46Å; R550-H552 VanDerWaalsContact C-N 3.34Å
553	T	75.9	Confident	79.9	Confident	72 Å²	72	78 Å²	78	44%	0.442	41%	0.414	S	S	.	.	H	α-helix	trans	-86.2	-10.5	179.4	64.6	0	0	0	0	113.9	R549 R550 E555	R549-T553 PolarHBondContact O-N 3.45Å; R549-T553 VanDerWaalsContact O-N 3.11Å; R550-T553 WeakPolarHBondContact CA-OG1 3.32Å; T553-E555 PolarHBondContact O-N 3.22Å; T553-E555 VanDerWaalsContact O-N 3.14Å; T553-E555 WeakPolarHBondContact OG1-CG 3.33Å
554	G	75.8	Confident	79.8	Confident	51 Å²	51	76.8 Å²	76.8	53%	0.526	41%	0.412	S	S	.	.			trans	68.2	2.8	-175.5	0	0	0	0	0	115	R550 K556	R550-G554 WeakPolarHBondContact O-CA 3.22Å; R550-G554 PolarHBondContact O-N 3.42Å; G554-K556 PolarHBondContact O-N 2.96Å
555	E	75.5	Confident	79.7	Confident	113 Å²	113	79.2 Å²	79.2	53%	0.528	42%	0.419	S	S	.	.			trans	-65.3	123.6	-177	-72.8	-179.9	-179.2	0	0	111.7	R550 T553 P557	R550-E555 HydrophobicContact CG-CB 4.39Å; R550-E555 PolarHBondContact O-N 2.99Å; T553-E555 PolarHBondContact O-N 3.22Å; T553-E555 VanDerWaalsContact O-N 3.14Å; T553-E555 WeakPolarHBondContact OG1-CG 3.33Å; E555-P557 WeakPolarHBondContact O-CD 3.35Å
556	K	80.8	Confident	79.7	Confident	129 Å²	129	80.2 Å²	80.2	56%	0.561	43%	0.43	S	S	*	.			trans	-122.1	76.3	175.5	-65.5	178.8	-178.3	-178	0	111.1	G554 Y558 A566 F567	G554-K556 PolarHBondContact O-N 2.96Å; K556-Y558 PolarHBondContact O-N 3.44Å; K556-Y558 VanDerWaalsContact O-N 3.13Å; K556-A566 HydrophobicContact CB-CB 3.63Å; K556-A566 HydrophobicContact CD-CB 4.19Å; K556-A566 WeakPolarHBondContact CD-O 3.34Å; K556-F567 CarbonylContact C-O 3.53Å; K556-F567 VanDerWaalsContact C-O 3.3Å; K556-F567 VanDerWaalsContact CA-O 3.31Å; K556-F567 WeakPolarHBondContact CA-O 3.4Å
557	P	77.6	Confident	79.8	Confident	75 Å²	75	77.9 Å²	77.9	49%	0.487	42%	0.416	S	S	.	.			trans	-72.2	-7.9	-170.2	-18.5	33.6	0	0	0	114.8	E555	E555-P557 WeakPolarHBondContact O-CD 3.35Å
558	Y	80.2	Confident	79.7	Confident	77 Å²	77	77.3 Å²	77.3	30%	0.302	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	101.2	-172.1	-59.4	-68	0	0	0	110.2	K556 A566 F567 H570	K556-Y558 PolarHBondContact O-N 3.44Å; K556-Y558 VanDerWaalsContact O-N 3.13Å; Y558-A566 CarbonylContact O-C 3.46Å; Y558-A566 WeakPolarHBondContact O-CA 3.35Å; Y558-F567 PolarHBondContact N-O 3.03Å; Y558-F567 PolarHBondContact O-N 2.93Å; Y558-H570 HydrophobicContact CD1-CB 4.49Å; Y558-H570 HydrophobicContact CE1-CB 4.25Å; Y558-H570 HydrophobicContact CE2-CB 4.29Å
559	E	79.4	Confident	79.7	Confident	118 Å²	118	78.1 Å²	78.1	55%	0.551	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	137.6	-180	-165.5	180	164	0	0	111.8	L561	E559-L561 PolarHBondContact O-N 3.47Å
560	C	82.2	Confident	79.6	Confident	1 Å²	1	77.8 Å²	77.8	1%	0.007	42%	0.422	C	S	.	.			trans	-77.4	110.6	171.1	-175.8	0	0	0	0	110.1	V562 C563 G564 K565 F567 L573 H576	C560-V562 PolarHBondContact O-N 3.29Å; C560-C563 PolarHBondContact O-N 2.96Å; C560-G564 WeakPolarHBondContact O-CA 3.46Å; C560-G564 PolarHBondContact O-N 3Å; C560-K565 WeakPolarHBondContact CB-O 3.48Å; C560-K565 PolarHBondContact N-O 3.3Å; C560-F567 HydrophobicContact CB-CE2 4.26Å; C560-L573 HydrophobicContact CB-CD1 3.68Å; C560-H576 VanDerWaalsContact SG-CD2 3.52Å; C560-H576 PolarHBondContact SG-NE2 3.06Å; C560-H576 VanDerWaalsContact SG-NE2 3.36Å
561	L	78.8	Confident	79.4	Confident	173 Å²	173	79 Å²	79	91%	0.906	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-13.4	178.9	-59.3	176.6	0	0	0	114.3	E559	E559-L561 PolarHBondContact O-N 3.47Å
562	V	77.3	Confident	79.7	Confident	103 Å²	103	75.9 Å²	75.9	62%	0.624	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-35	179.8	-177.8	0	0	0	0	111.6	C560 H580	C560-V562 PolarHBondContact O-N 3.29Å; V562-H580 HydrophobicContact CG1-CB 4.43Å
563	C	82.8	Confident	79.8	Confident	55 Å²	55	73.1 Å²	73.1	37%	0.372	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.2	12.5	-173.4	78.9	0	0	0	0	114.9	C560 K565 H576 H580	C560-C563 PolarHBondContact O-N 2.96Å; C563-K565 PolarHBondContact O-N 2.58Å; C563-H576 VanDerWaalsContact SG-CE1 3.55Å; C563-H576 PolarHBondContact SG-NE2 2.97Å; C563-H580 PolarHBondContact SG-NE2 3.46Å
564	G	77.8	Confident	80.1	Confident	42 Å²	42	76.9 Å²	76.9	43%	0.433	42%	0.421	S	S	.	.			trans	67	2.7	176.7	0	0	0	0	0	115.9	C560 A566	C560-G564 WeakPolarHBondContact O-CA 3.46Å; C560-G564 PolarHBondContact O-N 3Å; G564-A566 PolarHBondContact O-N 3.45Å
565	K	81.6	Confident	80.3	Confident	127 Å²	127	77 Å²	77	55%	0.552	41%	0.414	S	S	*	.			trans	-70.9	125.5	-179.2	-73.8	-177.6	-177.9	-178.5	0	110.3	C560 C563 F567	C560-K565 WeakPolarHBondContact CB-O 3.48Å; C560-K565 PolarHBondContact N-O 3.3Å; C563-K565 PolarHBondContact O-N 2.58Å; K565-F567 HydrophobicContact CB-CE2 3.71Å; K565-F567 HydrophobicContact CB-CZ 3.91Å; K565-F567 VanDerWaalsContact O-CD2 3.3Å; K565-F567 WeakPolarHBondContact O-CD2 3.31Å; K565-F567 WeakPolarHBondContact O-CE2 3.39Å
566	A	82.8	Confident	80.7	Confident	42 Å²	42	72.8 Å²	72.8	35%	0.347	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	142	178	0	0	0	0	0	112	K556 Y558 G564	K556-A566 HydrophobicContact CB-CB 3.63Å; K556-A566 HydrophobicContact CD-CB 4.19Å; K556-A566 WeakPolarHBondContact CD-O 3.34Å; Y558-A566 CarbonylContact O-C 3.46Å; Y558-A566 WeakPolarHBondContact O-CA 3.35Å; G564-A566 PolarHBondContact O-N 3.45Å
567	F	81.5	Confident	80.6	Confident	41 Å²	41	68.9 Å²	68.9	18%	0.18	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	148.9	-176.4	-61.7	-90.1	0	0	0	111.4	K556 Y558 C560 K565 L573 H576	K556-F567 CarbonylContact C-O 3.53Å; K556-F567 VanDerWaalsContact C-O 3.3Å; K556-F567 VanDerWaalsContact CA-O 3.31Å; K556-F567 WeakPolarHBondContact CA-O 3.4Å; Y558-F567 PolarHBondContact N-O 3.03Å; Y558-F567 PolarHBondContact O-N 2.93Å; C560-F567 HydrophobicContact CB-CE2 4.26Å; K565-F567 HydrophobicContact CB-CE2 3.71Å; K565-F567 HydrophobicContact CB-CZ 3.91Å; K565-F567 VanDerWaalsContact O-CD2 3.3Å; K565-F567 WeakPolarHBondContact O-CD2 3.31Å; K565-F567 WeakPolarHBondContact O-CE2 3.39Å; F567-L573 HydrophobicContact CB-CB 4.23Å; F567-L573 HydrophobicContact CD2-CB 4Å; F567-L573 HydrophobicContact CD2-CD1 3.76Å; F567-L573 HydrophobicContact CD2-CG 4.49Å; F567-L573 HydrophobicContact CE2-CD1 4Å; F567-L573 HydrophobicContact CG-CB 4.23Å; F567-H576 HydrophobicContact CE1-CB 3.9Å; F567-H576 HydrophobicContact CE2-CB 3.94Å; F567-H576 AromaticContact CE2-CD2 3.33Å; F567-H576 WeakPolarHBondContact CE2-CD2 3.33Å; F567-H576 AromaticContact CE2-CG 3.63Å; F567-H576 HydrophobicContact CZ-CB 3.42Å; F567-H576 VanDerWaalsContact CZ-CB 3.42Å; F567-H576 AromaticContact CZ-CD2 3.39Å; F567-H576 WeakPolarHBondContact CZ-CD2 3.5Å; F567-H576 AromaticContact CZ-CG 3.19Å; F567-H576 AromaticContact CZ-ND1 3.75Å
568	S	79.4	Confident	80.7	Confident	37 Å²	37	69 Å²	69	26%	0.259	37%	0.374	S	S	.	.	S	Bend	trans	-77.2	-22.7	178.8	53.2	0	0	0	0	113.1	R550	R550-S568 VanDerWaalsContact CD-O 3.26Å; R550-S568 WeakPolarHBondContact CD-O 3.48Å; R550-S568 PolarHBondContact NH1-O 3.05Å
569	D	82.4	Confident	80.6	Confident	34 Å²	34	69.9 Å²	69.9	18%	0.182	39%	0.388	C	S	.	.	S	Bend	trans	-136	160	176.6	83.7	-10.6	0	0	0	114	V547 S571 S572 L573	V547-D569 HydrophobicContact CG1-CB 3.72Å; V547-D569 HydrophobicContact CG2-CB 4.2Å; D569-S571 VanDerWaalsContact C-N 3.33Å; D569-S572 WeakPolarHBondContact OD1-CA 3.27Å; D569-S572 WeakPolarHBondContact OD1-CB 3.27Å; D569-S572 PolarHBondContact OD1-N 3.41Å; D569-S572 PolarHBondContact OD1-OG 3.19Å; D569-L573 PolarHBondContact O-N 3.14Å
570	H	78.6	Confident	80.5	Confident	90 Å²	90	68 Å²	68	42%	0.417	38%	0.379	S	S	.	.	H	α-helix	trans	-74.2	-25.2	-178.6	-174.4	-66.2	0	0	0	112.2	Y558 R574	Y558-H570 HydrophobicContact CD1-CB 4.49Å; Y558-H570 HydrophobicContact CE1-CB 4.25Å; Y558-H570 HydrophobicContact CE2-CB 4.29Å; H570-R574 PolarHBondContact CE1-NH2 3.11Å; H570-R574 VanDerWaalsContact O-CB 3.3Å; H570-R574 WeakPolarHBondContact O-CB 3.33Å; H570-R574 PolarHBondContact O-N 3.46Å
571	S	80.8	Confident	79.6	Confident	82 Å²	82	77 Å²	77	57%	0.573	41%	0.413	S	S	*	.	H	α-helix	trans	-70.7	-41.5	179	-62.9	0	0	0	0	111.5	D569 R574 S575	D569-S571 VanDerWaalsContact C-N 3.33Å; S571-R574 PolarHBondContact O-N 3.03Å; S571-S575 PolarHBondContact O-N 3.09Å
572	S	82.8	Confident	78.5	Confident	50 Å²	50	71.9 Å²	71.9	35%	0.35	40%	0.402	S	S	.	.	H	α-helix	trans	-67.6	-42.4	174.5	-54.2	0	0	0	0	111.3	D569 R574 S575 H576	D569-S572 WeakPolarHBondContact OD1-CA 3.27Å; D569-S572 WeakPolarHBondContact OD1-CB 3.27Å; D569-S572 PolarHBondContact OD1-N 3.41Å; D569-S572 PolarHBondContact OD1-OG 3.19Å; S572-R574 VanDerWaalsContact C-N 3.32Å; S572-R574 PolarHBondContact O-N 3.24Å; S572-S575 PolarHBondContact O-N 3.07Å; S572-H576 VanDerWaalsContact O-CB 3.29Å; S572-H576 WeakPolarHBondContact O-CB 3.39Å; S572-H576 PolarHBondContact O-N 3.44Å
573	L	82.1	Confident	77.2	Confident	24 Å²	24	72.8 Å²	72.8	13%	0.126	40%	0.399	C	S	.	.	H	α-helix	trans	-57.8	-46.1	171.5	174.1	62.4	0	0	0	110.8	C560 F567 D569 S575 H576 V577	C560-L573 HydrophobicContact CB-CD1 3.68Å; F567-L573 HydrophobicContact CB-CB 4.23Å; F567-L573 HydrophobicContact CD2-CB 4Å; F567-L573 HydrophobicContact CD2-CD1 3.76Å; F567-L573 HydrophobicContact CD2-CG 4.49Å; F567-L573 HydrophobicContact CE2-CD1 4Å; F567-L573 HydrophobicContact CG-CB 4.23Å; D569-L573 PolarHBondContact O-N 3.14Å; L573-S575 PolarHBondContact O-N 3.18Å; L573-H576 PolarHBondContact O-N 3.31Å; L573-V577 HydrophobicContact CD1-CG2 3.82Å; L573-V577 HydrophobicContact CG-CG2 4.21Å; L573-V577 WeakPolarHBondContact O-CB 3.1Å; L573-V577 VanDerWaalsContact O-CG2 3.26Å; L573-V577 WeakPolarHBondContact O-CG2 3.48Å; L573-V577 PolarHBondContact O-N 3.49Å
574	R	81.4	Confident	75.2	Confident	150 Å²	150	80.1 Å²	80.1	57%	0.566	42%	0.424	S	S	*	.	H	α-helix	trans	-62.5	-41.7	178.8	-176.7	-178.5	-72	163.5	-2.2	112.1	H570 S571 S572 V577 K578	H570-R574 PolarHBondContact CE1-NH2 3.11Å; H570-R574 VanDerWaalsContact O-CB 3.3Å; H570-R574 WeakPolarHBondContact O-CB 3.33Å; H570-R574 PolarHBondContact O-N 3.46Å; S571-R574 PolarHBondContact O-N 3.03Å; S572-R574 VanDerWaalsContact C-N 3.32Å; S572-R574 PolarHBondContact O-N 3.24Å; R574-V577 PolarHBondContact O-N 3.18Å; R574-K578 WeakPolarHBondContact O-CG 3.44Å; R574-K578 PolarHBondContact O-N 2.7Å
575	S	80.5	Confident	73.5	Confident	53 Å²	53	83.2 Å²	83.2	37%	0.371	43%	0.431	S	S	.	.	H	α-helix	trans	-63	-43.7	175.5	-166.7	0	0	0	0	111.2	S571 S572 L573 K578 T579	S571-S575 PolarHBondContact O-N 3.09Å; S572-S575 PolarHBondContact O-N 3.07Å; L573-S575 PolarHBondContact O-N 3.18Å; S575-K578 WeakPolarHBondContact O-CB 3.5Å; S575-K578 PolarHBondContact O-N 2.74Å; S575-T579 PolarHBondContact O-N 3.34Å
576	H	83	Confident	71.2	Confident	25 Å²	25	87.2 Å²	87.2	12%	0.116	45%	0.448	C	S	.	.	H	α-helix	trans	-65.1	-40	175.5	171.4	67.5	0	0	0	113	C560 C563 F567 S572 L573 K578 T579 H580	C560-H576 VanDerWaalsContact SG-CD2 3.52Å; C560-H576 PolarHBondContact SG-NE2 3.06Å; C560-H576 VanDerWaalsContact SG-NE2 3.36Å; C563-H576 VanDerWaalsContact SG-CE1 3.55Å; C563-H576 PolarHBondContact SG-NE2 2.97Å; F567-H576 HydrophobicContact CE1-CB 3.9Å; F567-H576 HydrophobicContact CE2-CB 3.94Å; F567-H576 AromaticContact CE2-CD2 3.33Å; F567-H576 WeakPolarHBondContact CE2-CD2 3.33Å; F567-H576 AromaticContact CE2-CG 3.63Å; F567-H576 HydrophobicContact CZ-CB 3.42Å; F567-H576 VanDerWaalsContact CZ-CB 3.42Å; F567-H576 AromaticContact CZ-CD2 3.39Å; F567-H576 WeakPolarHBondContact CZ-CD2 3.5Å; F567-H576 AromaticContact CZ-CG 3.19Å; F567-H576 AromaticContact CZ-ND1 3.75Å; S572-H576 VanDerWaalsContact O-CB 3.29Å; S572-H576 WeakPolarHBondContact O-CB 3.39Å; S572-H576 PolarHBondContact O-N 3.44Å; L573-H576 PolarHBondContact O-N 3.31Å; H576-K578 PolarHBondContact O-N 3.39Å; H576-T579 PolarHBondContact O-N 2.74Å; H576-T579 PolarHBondContact O-OG1 2.96Å; H576-H580 AromaticContact CD2-NE2 3.87Å; H576-H580 AromaticContact CE1-CE1 3.99Å; H576-H580 AromaticContact CE1-NE2 3.28Å; H576-H580 PolarHBondContact CE1-NE2 3.14Å; H576-H580 VanDerWaalsContact CE1-NE2 3.28Å; H576-H580 AromaticContact NE2-CD2 3.7Å; H576-H580 AromaticContact NE2-NE2 2.98Å; H576-H580 PolarHBondContact NE2-NE2 2.88Å; H576-H580 PolarHBondContact O-N 3.3Å
577	V	78.5	Confident	69	Low	47 Å²	47	91.5 Å²	91.5	29%	0.285	47%	0.47	S	S	.	.	H	α-helix	trans	-63.7	-28.5	175.2	171.6	0	0	0	0	111.3	L573 R574 T579 H580	L573-V577 HydrophobicContact CD1-CG2 3.82Å; L573-V577 HydrophobicContact CG-CG2 4.21Å; L573-V577 WeakPolarHBondContact O-CB 3.1Å; L573-V577 VanDerWaalsContact O-CG2 3.26Å; L573-V577 WeakPolarHBondContact O-CG2 3.48Å; L573-V577 PolarHBondContact O-N 3.49Å; R574-V577 PolarHBondContact O-N 3.18Å; V577-T579 VanDerWaalsContact C-N 3.32Å; V577-H580 PolarHBondContact O-N 3.23Å
578	K	80.3	Confident	66.7	Low	77 Å²	77	94.3 Å²	94.3	34%	0.335	50%	0.495	S	S	.	.	H	α-helix	trans	-68.8	-28.3	171.7	-69.1	178	173.6	-157.5	0	113.1	R574 S575 H576 H580 R581 G582	R574-K578 WeakPolarHBondContact O-CG 3.44Å; R574-K578 PolarHBondContact O-N 2.7Å; S575-K578 WeakPolarHBondContact O-CB 3.5Å; S575-K578 PolarHBondContact O-N 2.74Å; H576-K578 PolarHBondContact O-N 3.39Å; K578-H580 VanDerWaalsContact C-N 3.29Å; K578-H580 PolarHBondContact O-N 2.76Å; K578-R581 PolarHBondContact O-N 3.38Å; K578-G582 PolarHBondContact O-N 2.91Å
579	T	79.1	Confident	64.7	Low	97 Å²	97	97.9 Å²	97.9	60%	0.595	52%	0.519	S	S	*	.	H	α-helix	trans	-68.7	-29.3	175.4	69.4	0	0	0	0	112.2	S575 H576 V577 R581	S575-T579 PolarHBondContact O-N 3.34Å; H576-T579 PolarHBondContact O-N 2.74Å; H576-T579 PolarHBondContact O-OG1 2.96Å; V577-T579 VanDerWaalsContact C-N 3.32Å; T579-R581 PolarHBondContact O-N 3.47Å
580	H	76.3	Confident	62.8	Low	79 Å²	79	102 Å²	102	37%	0.366	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-20.8	170.8	-67.8	-59.3	0	0	0	113.2	V562 C563 H576 V577 K578	V562-H580 HydrophobicContact CG1-CB 4.43Å; C563-H580 PolarHBondContact SG-NE2 3.46Å; H576-H580 AromaticContact CD2-NE2 3.87Å; H576-H580 AromaticContact CE1-CE1 3.99Å; H576-H580 AromaticContact CE1-NE2 3.28Å; H576-H580 PolarHBondContact CE1-NE2 3.14Å; H576-H580 VanDerWaalsContact CE1-NE2 3.28Å; H576-H580 AromaticContact NE2-CD2 3.7Å; H576-H580 AromaticContact NE2-NE2 2.98Å; H576-H580 PolarHBondContact NE2-NE2 2.88Å; H576-H580 PolarHBondContact O-N 3.3Å; V577-H580 PolarHBondContact O-N 3.23Å; K578-H580 VanDerWaalsContact C-N 3.29Å; K578-H580 PolarHBondContact O-N 2.76Å
581	R	64.1	Low	60.7	Low	190 Å²	190	109.5 Å²	109.5	72%	0.717	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	2.7	-178	-65.5	-175.4	176.5	-158.5	-4.3	113.7	K578 T579 E583	K578-R581 PolarHBondContact O-N 3.38Å; T579-R581 PolarHBondContact O-N 3.47Å; R581-E583 PolarHBondContact O-N 3.27Å
582	G	55.4	Low	58.7	Low	65 Å²	65	115.5 Å²	115.5	67%	0.67	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.7	7.7	177.9	0	0	0	0	0	115.7	K578 K584	K578-G582 PolarHBondContact O-N 2.91Å; G582-K584 PolarHBondContact O-N 3.45Å
583	E	49.5	Very low	56.5	Low	122 Å²	122	123.6 Å²	123.6	57%	0.57	61%	0.609	S	S	*	*			trans	-77.8	95.3	177.4	-72.5	179.8	-177.8	0	0	110.1	R581 L585	R581-E583 PolarHBondContact O-N 3.27Å; E583-L585 PolarHBondContact O-N 3.44Å
584	K	42.4	Very low	54.3	Low	208 Å²	208	130.1 Å²	130.1	90%	0.904	64%	0.643	S	S	*	*			trans	-54.7	119.2	169.1	-82.6	-179.1	176.7	175.7	0	109.6	G582 F586	G582-K584 PolarHBondContact O-N 3.45Å; K584-F586 PolarHBondContact O-N 3.49Å
585	L	40.2	Very low	52.1	Low	108 Å²	108	135.9 Å²	135.9	57%	0.565	68%	0.676	S	S	*	*			trans	-67.9	129.2	163.2	-71.9	169	0	0	0	108.3	E583 V587	E583-L585 PolarHBondContact O-N 3.44Å; L585-V587 PolarHBondContact O-N 3.2Å; L585-V587 VanDerWaalsContact O-N 3.08Å
586	F	34.7	Very low	50.7	Low	211 Å²	211	140 Å²	140	93%	0.925	69%	0.692	S	S	*	*			trans	-38.9	111.4	170.7	-126.2	-102.4	0	0	0	110.8	K584 S588	K584-F586 PolarHBondContact O-N 3.49Å; F586-S588 PolarHBondContact O-N 3.25Å
587	V	36.6	Very low	49	Very low	132 Å²	132	146.1 Å²	146.1	80%	0.8	72%	0.722	S	S	*	*			trans	-74.6	110.9	167.3	-178.9	0	0	0	0	106.1	L585 S589	L585-V587 PolarHBondContact O-N 3.2Å; L585-V587 VanDerWaalsContact O-N 3.08Å; V587-S589 PolarHBondContact O-N 2.86Å; V587-S589 VanDerWaalsContact O-N 3.12Å
588	S	32.2	Very low	47.3	Very low	100 Å²	100	151.6 Å²	151.6	70%	0.699	75%	0.746	S	S	*	*			trans	-58.5	112.7	167.9	161.5	0	0	0	0	108.6	F586 V590	F586-S588 PolarHBondContact O-N 3.25Å; S588-V590 PolarHBondContact O-N 3.41Å
589	S	36.9	Very low	45.4	Very low	111 Å²	111	155.9 Å²	155.9	78%	0.776	77%	0.77	S	S	*	*	S	Bend	trans	-64.9	82.3	179.5	48.8	0	0	0	0	113	V587	V587-S589 PolarHBondContact O-N 2.86Å; V587-S589 VanDerWaalsContact O-N 3.12Å
590	V	44.5	Very low	43.3	Very low	120 Å²	120	159.6 Å²	159.6	73%	0.727	78%	0.781	S	S	*	*			trans	-156.7	98.6	151.5	-172.6	0	0	0	0	108.5	S588	S588-V590 PolarHBondContact O-N 3.41Å
591	W	32.8	Very low	41.1	Very low	249 Å²	249	165 Å²	165	94%	0.943	81%	0.809	S	S	*	*			trans	-172.9	83.6	142.1	-111.7	44	0	0	0	109.3
592	K	39.2	Very low	39.4	Very low	208 Å²	208	163.2 Å²	163.2	90%	0.904	82%	0.816	S	S	*	*			trans	-110.3	104.1	153.6	-120	-173.8	-177.7	-176.4	0	105.3
593	R	36.9	Very low	38.2	Very low	220 Å²	220	170.8 Å²	170.8	83%	0.83	83%	0.827	S	S	*	*			trans	-178.9	129.5	148.1	-111.6	175.8	-161.9	175.4	5.5	112.6
594	L	36	Very low	37.3	Very low	161 Å²	161	174.8 Å²	174.8	84%	0.843	85%	0.848	S	S	*	*			trans	71.5	119.7	159.4	-52.1	167.3	0	0	0	114.1
595	Q	34.9	Very low	36.8	Very low	270 Å²	270	171.8 Å²	171.8	100%	1.262	84%	0.843	S	S	*	*			cis	-129.6	0	16.9	-89	167.2	-58.8	0	0	110.8

Retrieved 595 of 595 residues in 382.7 ms (Link to these results)

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