X2JDZ1_DROME Loading...

PRKCA-binding protein

Probable adapter protein that bind to and organize the subcellular localization of a variety of membrane proteins containing some PDZ recognition sequence. Involved in the clustering of various receptors, possibly by acting at the receptor internalization level. Plays a role in synaptic plasticity by regulating the trafficking and internalization of AMPA receptors. May be regulated upon PRKCA activation. May regulate ASIC1/ASIC3 channel. Regulates actin polymerization by inhibiting the actin-nucleating activity of the Arp2/3 complex; the function is competitive with nucleation promoting factors and is linked to neuronal morphology regulation and AMPA receptor (AMPAR) endocytosis. Via interaction with the Arp2/3 complex involved in regulation of synaptic plasicity of excitatory synapses and required for spine shrinkage during long-term depression (LTD). Involved in regulation of astrocyte morphology, antagonistic to Arp2/3 complex activator WASL/N-WASP function.

AlphaFold DB , UniProt , Accession X2JDZ1, Species DROME (Drosophila melanogaster, Fruit fly), Gene PICK1, Length 577 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	29.7	Very low	31.5	Very low	238 Å²	238	141.6 Å²	141.6	100%	1.172	73%	0.725	S	S	*	*				0	103.3	0	-65.7	174	-174.5	0	0	106.6
2	L	30.6	Very low	31.5	Very low	169 Å²	169	142.8 Å²	142.8	89%	0.885	73%	0.726	S	S	*	*			trans	-119	107.8	154	-69.5	172.2	0	0	0	102.4
3	T	30.3	Very low	32	Very low	122 Å²	122	140.4 Å²	140.4	75%	0.748	71%	0.71	S	S	*	*			trans	-84.1	114	165.9	44.1	0	0	0	0	104.8	T5	T3-T5 PolarHBondContact O-N 2.85Å
4	D	33.7	Very low	32.5	Very low	151 Å²	151	134.4 Å²	134.4	81%	0.807	68%	0.68	S	S	*	*			trans	-59.9	105.7	169.5	-58.5	-58.2	0	0	0	106.9	E6	D4-E6 PolarHBondContact O-N 3.02Å; D4-E6 VanDerWaalsContact O-N 3.1Å
5	T	32.6	Very low	32.2	Very low	124 Å²	124	136.5 Å²	136.5	76%	0.761	68%	0.684	S	S	*	*			trans	-68.9	108.4	174.7	45.1	0	0	0	0	106.3	T3 D7	T3-T5 PolarHBondContact O-N 2.85Å; T5-D7 PolarHBondContact O-N 2.84Å
6	E	30	Very low	32.2	Very low	169 Å²	169	137.4 Å²	137.4	79%	0.79	69%	0.687	S	S	*	*			trans	-48.6	126.5	-178.5	-66.6	169.6	118.8	0	0	109.6	D4 D8	D4-E6 PolarHBondContact O-N 3.02Å; D4-E6 VanDerWaalsContact O-N 3.1Å; E6-D8 PolarHBondContact O-N 2.99Å
7	D	30.9	Very low	31.9	Very low	136 Å²	136	136 Å²	136	73%	0.727	69%	0.69	S	S	*	*			trans	-71.8	69.9	176.9	-107.3	-27.3	0	0	0	108.7	T5 F9	T5-D7 PolarHBondContact O-N 2.84Å; D7-F9 HydrophobicContact CB-CD2 4.12Å; D7-F9 HydrophobicContact CB-CE2 4.46Å; D7-F9 PolarHBondContact O-N 2.73Å
8	D	30.8	Very low	31.6	Very low	124 Å²	124	138.5 Å²	138.5	66%	0.663	70%	0.699	S	S	*	*			trans	-70.9	64.6	-179.2	-114.9	4.9	0	0	0	109.9	E6 F10	E6-D8 PolarHBondContact O-N 2.99Å; D8-F10 WeakPolarHBondContact O-CD2 3.35Å; D8-F10 PolarHBondContact O-N 3.5Å
9	F	35.2	Very low	31.3	Very low	115 Å²	115	137.2 Å²	137.2	50%	0.504	70%	0.701	S	S	.	*			trans	-69.7	77.5	174.4	-94.8	-92.9	0	0	0	110	D7 F11 N221	D7-F9 HydrophobicContact CB-CD2 4.12Å; D7-F9 HydrophobicContact CB-CE2 4.46Å; D7-F9 PolarHBondContact O-N 2.73Å; F9-F11 PolarHBondContact O-N 3.43Å; F9-N221 HydrophobicContact CE1-CB 4.36Å
10	F	28.6	Very low	30.9	Very low	153 Å²	153	138 Å²	138	67%	0.671	71%	0.706	S	S	*	*			trans	-52.4	123	156.3	-79.5	-92.8	0	0	0	108.7	D8	D8-F10 WeakPolarHBondContact O-CD2 3.35Å; D8-F10 PolarHBondContact O-N 3.5Å
11	F	34.6	Very low	30.5	Very low	57 Å²	57	139.1 Å²	139.1	25%	0.25	71%	0.712	C	S	.	*			trans	-62.2	140.5	176.5	-63.5	-103.3	0	0	0	109.3	F9 E13 D14 K15 L219	F9-F11 PolarHBondContact O-N 3.43Å; F11-E13 PolarHBondContact O-N 2.83Å; F11-D14 HydrophobicContact CB-CB 4.13Å; F11-D14 VanDerWaalsContact CD2-OD2 3.23Å; F11-D14 WeakPolarHBondContact CD2-OD2 3.49Å; F11-D14 PolarHBondContact O-N 3Å; F11-K15 PolarHBondContact O-N 2.76Å; F11-L219 HydrophobicContact CD1-CD2 4.09Å; F11-L219 HydrophobicContact CE1-CD2 3.86Å
12	E	31.2	Very low	30.3	Very low	156 Å²	156	132.4 Å²	132.4	73%	0.729	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	-25.5	169.7	-74.7	-169.5	126.7	0	0	111.7	K15	E12-K15 WeakPolarHBondContact O-CB 3.4Å; E12-K15 PolarHBondContact O-N 3.16Å
13	E	38.5	Very low	29.7	Very low	111 Å²	111	133 Å²	133	52%	0.519	68%	0.679	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74	-21	170.5	-62.3	-169.5	149.8	0	0	113.9	F11 K15	F11-E13 PolarHBondContact O-N 2.83Å; E13-K15 VanDerWaalsContact C-N 3.26Å
14	D	37.8	Very low	29.5	Very low	56 Å²	56	132.3 Å²	132.3	30%	0.299	67%	0.67	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.4	-14.4	169.4	-80.5	-37.2	0	0	0	111	F11 M16 R380	F11-D14 HydrophobicContact CB-CB 4.13Å; F11-D14 VanDerWaalsContact CD2-OD2 3.23Å; F11-D14 WeakPolarHBondContact CD2-OD2 3.49Å; F11-D14 PolarHBondContact O-N 3Å; D14-M16 PolarHBondContact O-N 2.71Å; D14-M16 VanDerWaalsContact O-N 3.14Å; D14-R380 IonicContact OD2-NH1 3.82Å
15	K	29.3	Very low	28.9	Very low	167 Å²	167	133.3 Å²	133.3	73%	0.726	68%	0.675	S	S	*	*			trans	-83.4	51.7	165.4	-70.4	-175.6	178.4	172.8	0	112.5	F11 E12 E13	F11-K15 PolarHBondContact O-N 2.76Å; E12-K15 WeakPolarHBondContact O-CB 3.4Å; E12-K15 PolarHBondContact O-N 3.16Å; E13-K15 VanDerWaalsContact C-N 3.26Å
16	M	31.2	Very low	28.3	Very low	150 Å²	150	131.1 Å²	131.1	74%	0.739	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-57.3	145.7	154.3	-75.6	-70.2	-81.2	0	0	109.1	D14 E18	D14-M16 PolarHBondContact O-N 2.71Å; D14-M16 VanDerWaalsContact O-N 3.14Å; M16-E18 PolarHBondContact O-N 3.4Å
17	P	27.9	Very low	28	Very low	114 Å²	114	131.1 Å²	131.1	74%	0.74	68%	0.683	S	S	*	*	S	Bend	trans	-57	139.1	-172.1	22.4	-33.7	0	0	0	111.6
18	E	25.5	Very low	27.6	Very low	181 Å²	181	127.7 Å²	127.7	85%	0.846	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-47.1	127.8	-168	-61.9	178.6	139.5	0	0	112	M16 L20	M16-E18 PolarHBondContact O-N 3.4Å; E18-L20 PolarHBondContact O-N 3.03Å
19	P	25.8	Very low	27.1	Very low	113 Å²	113	126.4 Å²	126.4	73%	0.734	69%	0.686	S	S	*	*			trans	-62.9	114.9	179.8	25.9	-33.2	0	0	0	108.7	L21	P19-L21 PolarHBondContact O-N 3.44Å
20	L	24	Very low	26.5	Very low	154 Å²	154	130.3 Å²	130.3	81%	0.806	71%	0.705	S	S	*	*			trans	-39.6	112.4	-173.3	-74.4	169.7	0	0	0	111.3	E18 I22	E18-L20 PolarHBondContact O-N 3.03Å; L20-I22 HydrophobicContact CB-CG1 4.24Å; L20-I22 WeakPolarHBondContact O-CG1 3.35Å; L20-I22 PolarHBondContact O-N 2.9Å
21	L	22.5	Very low	26	Very low	161 Å²	161	127.5 Å²	127.5	84%	0.843	71%	0.711	S	S	*	*			trans	-79.3	71.3	-172.9	-143.6	90.7	0	0	0	109.7	P19 Q23	P19-L21 PolarHBondContact O-N 3.44Å; L21-Q23 PolarHBondContact O-N 3.16Å
22	I	24.6	Very low	25.4	Very low	98 Å²	98	132 Å²	132	50%	0.503	74%	0.743	S	S	.	*			trans	-69.5	91.2	-173.8	-54.7	172.5	0	0	0	109.8	L20 L24	L20-I22 HydrophobicContact CB-CG1 4.24Å; L20-I22 WeakPolarHBondContact O-CG1 3.35Å; L20-I22 PolarHBondContact O-N 2.9Å; I22-L24 HydrophobicContact CG2-CD2 3.6Å; I22-L24 HydrophobicContact CG2-CG 4.04Å
23	Q	18.7	Very low	24.8	Very low	182 Å²	182	135 Å²	135	85%	0.85	75%	0.747	S	S	*	*			trans	-59.2	139.6	157.5	-70.3	-178.4	-41.2	0	0	109.1	L21	L21-Q23 PolarHBondContact O-N 3.16Å
24	L	25.4	Very low	24.1	Very low	107 Å²	107	137.8 Å²	137.8	56%	0.56	76%	0.76	S	S	*	*			trans	-127.9	104.2	-177.4	-66.1	169	0	0	0	109.4	I22 K163	I22-L24 HydrophobicContact CG2-CD2 3.6Å; I22-L24 HydrophobicContact CG2-CG 4.04Å; L24-K163 HydrophobicContact CD1-CD 3.8Å; L24-K163 HydrophobicContact CD1-CG 4.33Å
25	D	21.4	Very low	23.7	Very low	172 Å²	172	141.1 Å²	141.1	92%	0.92	79%	0.785	S	S	*	*			trans	-66	144.9	153.3	-64.1	-55.4	0	0	0	108.6
26	G	21.6	Very low	23.2	Very low	77 Å²	77	142 Å²	142	79%	0.794	79%	0.789	S	S	*	*			trans	-136.5	160.9	-176.6	0	0	0	0	0	112.8
27	D	22.8	Very low	22.8	Very low	170 Å²	170	144 Å²	144	91%	0.909	80%	0.796	S	S	*	*			trans	-161.4	162.4	160	-144.6	-22.6	0	0	0	111.6
28	G	23.1	Very low	22.4	Very low	64 Å²	64	149.7 Å²	149.7	66%	0.66	80%	0.803	S	S	*	*			trans	60.6	106	164.9	0	0	0	0	0	118.2
29	A	20.7	Very low	22.2	Very low	97 Å²	97	145.9 Å²	145.9	80%	0.802	79%	0.792	S	S	*	*			cis	91.6	140	28.9	0	0	0	0	0	116.9
30	Q	20.7	Very low	21.9	Very low	196 Å²	196	148 Å²	148	92%	0.916	79%	0.792	S	S	*	*			trans	77	159	172.8	-50.8	-174.2	8.2	0	0	118.9
31	A	19.8	Very low	21.6	Very low	95 Å²	95	149 Å²	149	79%	0.785	79%	0.793	S	S	*	*				176.4	122.9	-72	0	0	0	0	0	111.4
32	V	21.2	Very low	21.6	Very low	151 Å²	151	153.1 Å²	153.1	92%	0.915	80%	0.797	S	S	*	*			trans	-135.4	168	-176.8	-170.2	0	0	0	0	111.5
33	R	18.8	Very low	21.3	Very low	219 Å²	219	156.5 Å²	156.5	83%	0.826	81%	0.811	S	S	*	*			trans	-150.1	137	-164.2	-64.5	175.7	177.4	172.1	-1.5	115.9
34	Q	23.2	Very low	21.5	Very low	170 Å²	170	157.1 Å²	157.1	79%	0.794	81%	0.813	S	S	*	*			trans	67	170.3	152.9	-62.9	177.3	30.2	0	0	116.8
35	P	29.3	Very low	21.3	Very low	126 Å²	126	155.7 Å²	155.7	82%	0.818	82%	0.817	S	S	*	*			cis	-124.6	-145.7	4	43.5	-26.5	0	0	0	114.7
36	K	19.7	Very low	21.3	Very low	185 Å²	185	153.6 Å²	153.6	80%	0.804	82%	0.816	S	S	*	*				-178.4	85.1	-100.6	-173.8	-158.6	178.7	-173	0	115.5
37	E	21.8	Very low	21.3	Very low	191 Å²	191	153.6 Å²	153.6	89%	0.893	82%	0.816	S	S	*	*			trans	-133.5	145.7	168.8	-76.7	179.8	158.5	0	0	110.5
38	R	19.9	Very low	21.2	Very low	235 Å²	235	151.4 Å²	151.4	89%	0.887	81%	0.814	S	S	*	*			cis	76.2	129.8	49.4	-106	-177.5	-174	-148.4	-0.6	112.6
39	T	20.9	Very low	21.2	Very low	100 Å²	100	155 Å²	155	61%	0.613	82%	0.823	S	S	*	*			cis	-163.7	159.2	34.6	-47.9	0	0	0	0	113.7
40	E	20.5	Very low	21.3	Very low	157 Å²	157	154.2 Å²	154.2	73%	0.734	82%	0.816	S	S	*	*			trans	49.1	119.5	155.7	-80.3	149.7	-140.4	0	0	123.1
41	Q	18.1	Very low	21.7	Very low	176 Å²	176	151 Å²	151	82%	0.822	81%	0.812	S	S	*	*				76.6	113	83.2	-72.7	-173.7	23.8	0	0	117.5
42	R	21.2	Very low	21.7	Very low	248 Å²	248	153.8 Å²	153.8	94%	0.936	81%	0.814	S	S	*	*				-169.7	159.9	118.8	-111.8	178.2	177.4	-179.2	-1	114
43	E	18.2	Very low	21.8	Very low	169 Å²	169	155.6 Å²	155.6	79%	0.79	81%	0.812	S	S	*	*			trans	-99.4	155.3	-178.9	-55.3	158.6	115.2	0	0	111.1
44	H	23.2	Very low	22	Very low	194 Å²	194	149.6 Å²	149.6	90%	0.898	81%	0.81	S	S	*	*				-173.9	154.9	121.1	-101.2	-64	0	0	0	114.1
45	A	21.4	Very low	22.1	Very low	78 Å²	78	147.6 Å²	147.6	65%	0.645	81%	0.809	S	S	*	*			trans	-70.1	162.6	-164	0	0	0	0	0	118.8
46	S	20.5	Very low	21.9	Very low	128 Å²	128	146 Å²	146	90%	0.895	80%	0.797	S	S	*	*			trans	72.1	128.1	140.8	64.4	0	0	0	0	120.9
47	G	21.5	Very low	22.1	Very low	77 Å²	77	144.4 Å²	144.4	79%	0.794	79%	0.794	S	S	*	*			trans	169.1	110.1	166.2	0	0	0	0	0	111.5
48	S	21.2	Very low	22.4	Very low	124 Å²	124	138.9 Å²	138.9	87%	0.867	77%	0.771	S	S	*	*			trans	-93.8	127.1	-179.5	55.6	0	0	0	0	112
49	V	22.9	Very low	22.8	Very low	139 Å²	139	132.6 Å²	132.6	84%	0.842	76%	0.762	S	S	*	*			trans	-138	144.3	172.2	-170.7	0	0	0	0	109.7
50	A	24	Very low	22.9	Very low	80 Å²	80	132.9 Å²	132.9	66%	0.661	77%	0.768	S	S	*	*			trans	-85.7	176.2	178.4	0	0	0	0	0	111.3	N52	A50-N52 PolarHBondContact O-N 3.47Å
51	P	27.8	Very low	23.6	Very low	128 Å²	128	129.6 Å²	129.6	83%	0.831	76%	0.76	S	S	*	*			trans	-75	128.5	-165.1	30.2	-33.7	0	0	0	112.9
52	N	21.4	Very low	24.1	Very low	155 Å²	155	126.6 Å²	126.6	83%	0.829	77%	0.765	S	S	*	*			trans	-109.2	155.5	158.9	-84.7	-5	0	0	0	109.3	A50 A54	A50-N52 PolarHBondContact O-N 3.47Å; N52-A54 PolarHBondContact O-N 3.49Å
53	E	21.4	Very low	24.4	Very low	188 Å²	188	118.3 Å²	118.3	88%	0.879	76%	0.757	S	S	*	*			trans	-63.1	125.8	-170.3	-65	159.7	129.1	0	0	112.5	T55	E53-T55 VanDerWaalsContact C-N 3.32Å; E53-T55 PolarHBondContact O-N 3.19Å
54	A	24.3	Very low	24.9	Very low	94 Å²	94	118.2 Å²	118.2	78%	0.777	75%	0.754	S	S	*	*			trans	-82.6	72.7	-177.4	0	0	0	0	0	111.6	N52 V56	N52-A54 PolarHBondContact O-N 3.49Å; A54-V56 PolarHBondContact O-N 3.49Å
55	T	24.3	Very low	24.9	Very low	127 Å²	127	114.1 Å²	114.1	78%	0.779	75%	0.747	S	S	*	*			trans	-58.5	106.8	167.8	-59.4	0	0	0	0	109.3	E53 M57	E53-T55 VanDerWaalsContact C-N 3.32Å; E53-T55 PolarHBondContact O-N 3.19Å; T55-M57 PolarHBondContact O-N 2.98Å; T55-M57 VanDerWaalsContact O-N 3.1Å
56	V	25.7	Very low	25.2	Very low	93 Å²	93	115.9 Å²	115.9	56%	0.564	75%	0.753	S	S	*	*			trans	-66.7	110.6	-169.2	-178.3	0	0	0	0	110.8	A54 L58	A54-V56 PolarHBondContact O-N 3.49Å; V56-L58 PolarHBondContact O-N 2.85Å
57	M	23.5	Very low	25.4	Very low	151 Å²	151	117 Å²	117	74%	0.744	75%	0.749	S	S	*	*			trans	-70.9	114.2	170.2	-78.3	-76.1	-82.6	0	0	109.7	T55 C59	T55-M57 PolarHBondContact O-N 2.98Å; T55-M57 VanDerWaalsContact O-N 3.1Å; M57-C59 PolarHBondContact O-N 3.04Å
58	L	28.7	Very low	26	Very low	76 Å²	76	118 Å²	118	40%	0.398	74%	0.744	S	S	.	*	S	Bend	trans	-61.1	97.2	173.9	-77.3	163.3	0	0	0	110.9	V56 K83 L86 V93	V56-L58 PolarHBondContact O-N 2.85Å; L58-K83 HydrophobicContact CD1-CB 3.82Å; L58-K83 HydrophobicContact CD1-CD 4.13Å; L58-K83 HydrophobicContact CD1-CG 3.86Å; L58-L86 HydrophobicContact CD1-CD1 3.9Å; L58-L86 HydrophobicContact CD2-CD1 4.32Å; L58-V93 HydrophobicContact CD2-CG2 3.82Å
59	C	28.2	Very low	26.6	Very low	103 Å²	103	117.8 Å²	117.8	70%	0.696	75%	0.75	S	S	*	*			trans	54.6	85.1	166	-152.6	0	0	0	0	117.5	M57	M57-C59 PolarHBondContact O-N 3.04Å
60	S	24	Very low	27.2	Very low	106 Å²	106	115.6 Å²	115.6	74%	0.741	74%	0.741	S	S	*	*			trans	-97.8	107.2	135.8	-75.9	0	0	0	0	107.9	A62	S60-A62 PolarHBondContact O-N 3.43Å
61	P	33.4	Very low	27.8	Very low	88 Å²	88	115.1 Å²	115.1	57%	0.571	74%	0.744	S	S	*	*			trans	-77.4	93.4	-172.7	30	-33.9	0	0	0	111.8	G63	P61-G63 PolarHBondContact O-N 3.16Å
62	A	29.5	Very low	28.7	Very low	113 Å²	113	113.5 Å²	113.5	93%	0.934	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	98.6	170.4	0	0	0	0	0	110.6	S60	S60-A62 PolarHBondContact O-N 3.43Å
63	G	28.5	Very low	29.9	Very low	73 Å²	73	115.6 Å²	115.6	75%	0.753	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	142.2	-17.1	169.4	0	0	0	0	0	116.9	P61	P61-G63 PolarHBondContact O-N 3.16Å
64	F	26.8	Very low	31.4	Very low	168 Å²	168	114.3 Å²	114.3	74%	0.737	72%	0.716	S	S	*	*			trans	-113.3	105.3	178.5	-82.6	-87	0	0	0	111.3	C66	F64-C66 PolarHBondContact O-N 2.93Å
65	S	24.3	Very low	33	Very low	107 Å²	107	111.3 Å²	111.3	75%	0.748	69%	0.694	S	S	*	*			trans	-75.2	115.8	170.5	-168.5	0	0	0	0	110.1
66	C	28.1	Very low	34.7	Very low	115 Å²	115	110.4 Å²	110.4	78%	0.777	68%	0.684	S	S	*	*			trans	-115.9	84.7	166	56.2	0	0	0	0	109.5	F64 S68	F64-C66 PolarHBondContact O-N 2.93Å; C66-S68 PolarHBondContact O-N 3.22Å
67	D	24.7	Very low	36.8	Very low	151 Å²	151	110.7 Å²	110.7	81%	0.807	68%	0.679	S	S	*	*			trans	-62	101.1	168.8	-87.1	-57.9	0	0	0	110.2
68	S	32.5	Very low	39.1	Very low	99 Å²	99	105.8 Å²	105.8	69%	0.692	66%	0.659	S	S	*	*			trans	-158.4	96.3	165	-79.3	0	0	0	0	110.1	C66 S70	C66-S68 PolarHBondContact O-N 3.22Å; S68-S70 PolarHBondContact O-N 3.26Å
69	A	34.6	Very low	41.6	Very low	120 Å²	120	104.6 Å²	104.6	99%	0.992	66%	0.66	S	S	*	*			trans	-76	60.2	178.2	0	0	0	0	0	112.3
70	S	34.8	Very low	44.3	Very low	93 Å²	93	103.2 Å²	103.2	65%	0.65	65%	0.652	S	S	*	*			trans	-140.6	87.8	172.3	57.9	0	0	0	0	108.5	S68 D72	S68-S70 PolarHBondContact O-N 3.26Å; S70-D72 PolarHBondContact O-N 3.36Å
71	G	38.1	Very low	47.3	Very low	70 Å²	70	102.9 Å²	102.9	72%	0.722	64%	0.635	S	S	*	*			trans	-65.7	100.7	-176.3	0	0	0	0	0	111.9	R73	G71-R73 PolarHBondContact O-N 3.06Å; G71-R73 VanDerWaalsContact O-N 3.15Å
72	D	45.1	Very low	49.8	Very low	93 Å²	93	100 Å²	100	50%	0.497	61%	0.614	S	S	.	*			trans	-64	111.1	173.8	172.9	33.5	0	0	0	110.3	S70 F74 G75	S70-D72 PolarHBondContact O-N 3.36Å; D72-F74 VanDerWaalsContact C-N 3.28Å; D72-F74 PolarHBondContact O-N 3.24Å; D72-F74 PolarHBondContact OD1-N 2.81Å; D72-F74 VanDerWaalsContact OD1-N 3.09Å; D72-G75 PolarHBondContact OD2-N 2.76Å
73	R	47.7	Very low	52.6	Low	199 Å²	199	98.8 Å²	98.8	75%	0.751	59%	0.587	S	S	*	*	H	α-helix	trans	-62.6	-36.5	178.8	-76.3	-173.2	171.2	-164.4	-2.4	112	G71 I76 E77	G71-R73 PolarHBondContact O-N 3.06Å; G71-R73 VanDerWaalsContact O-N 3.15Å; R73-I76 PolarHBondContact O-N 3.14Å; R73-E77 PolarHBondContact O-N 3.25Å; R73-E77 VanDerWaalsContact O-N 3.12Å
74	F	52.9	Low	55.5	Low	161 Å²	161	101.9 Å²	101.9	71%	0.706	58%	0.577	S	S	*	*	H	α-helix	trans	-65	-48.4	-176.4	-69.2	-82.1	0	0	0	110.7	D72 I76 E77 S78	D72-F74 VanDerWaalsContact C-N 3.28Å; D72-F74 PolarHBondContact O-N 3.24Å; D72-F74 PolarHBondContact OD1-N 2.81Å; D72-F74 VanDerWaalsContact OD1-N 3.09Å; F74-I76 VanDerWaalsContact C-N 3.27Å; F74-I76 PolarHBondContact O-N 2.83Å; F74-E77 PolarHBondContact O-N 3.1Å; F74-S78 PolarHBondContact O-N 3.31Å; F74-S78 PolarHBondContact O-OG 2.82Å
75	G	57.1	Low	58.4	Low	31 Å²	31	94.1 Å²	94.1	32%	0.32	54%	0.543	S	S	.	.	H	α-helix	trans	-57.6	-33.4	176.3	0	0	0	0	0	115	D72 A79	D72-G75 PolarHBondContact OD2-N 2.76Å; G75-A79 WeakPolarHBondContact O-CB 3.33Å; G75-A79 PolarHBondContact O-N 3.06Å
76	I	60.6	Low	61.4	Low	108 Å²	108	89.3 Å²	89.3	55%	0.554	51%	0.509	S	S	*	.	H	α-helix	trans	-74.3	-41.5	177.7	-62.9	172.4	0	0	0	111.3	R73 F74 S80	R73-I76 PolarHBondContact O-N 3.14Å; F74-I76 VanDerWaalsContact C-N 3.27Å; F74-I76 PolarHBondContact O-N 2.83Å; I76-S80 WeakPolarHBondContact O-CB 3.29Å; I76-S80 PolarHBondContact O-N 3.4Å; I76-S80 VanDerWaalsContact O-N 3.14Å; I76-S80 PolarHBondContact O-OG 2.88Å
77	E	68.8	Low	64.2	Low	100 Å²	100	88.8 Å²	88.8	47%	0.467	50%	0.498	S	S	.	.	H	α-helix	trans	-64.7	-47.5	175.3	-74.6	-171.9	-149.5	0	0	111.5	R73 F74 A79 S80 R81	R73-E77 PolarHBondContact O-N 3.25Å; R73-E77 VanDerWaalsContact O-N 3.12Å; F74-E77 PolarHBondContact O-N 3.1Å; E77-A79 VanDerWaalsContact C-N 3.32Å; E77-A79 PolarHBondContact O-N 3.28Å; E77-S80 PolarHBondContact O-N 2.9Å; E77-S80 VanDerWaalsContact O-N 3.12Å; E77-R81 WeakPolarHBondContact O-CG 3.37Å; E77-R81 PolarHBondContact O-N 3.02Å; E77-R81 IonicContact OE2-NH2 3.73Å; E77-R81 PolarHBondContact OE2-NH2 3.38Å
78	S	72.9	Confident	67.2	Low	48 Å²	48	87.2 Å²	87.2	34%	0.336	48%	0.481	S	S	.	.	H	α-helix	trans	-59.5	-40.1	178.7	-62.3	0	0	0	0	112.7	F74 S80 Q82	F74-S78 PolarHBondContact O-N 3.31Å; F74-S78 PolarHBondContact O-OG 2.82Å; S78-S80 VanDerWaalsContact C-N 3.34Å; S78-Q82 VanDerWaalsContact C-NE2 3.34Å; S78-Q82 PolarHBondContact O-N 3.02Å; S78-Q82 VanDerWaalsContact O-N 3.1Å; S78-Q82 PolarHBondContact O-NE2 3.01Å
79	A	80.3	Confident	69.7	Low	50 Å²	50	84.1 Å²	84.1	41%	0.413	46%	0.456	S	S	.	.	H	α-helix	trans	-67.2	-36.7	176.6	0	0	0	0	0	112.1	G75 E77 Q82 K83	G75-A79 WeakPolarHBondContact O-CB 3.33Å; G75-A79 PolarHBondContact O-N 3.06Å; E77-A79 VanDerWaalsContact C-N 3.32Å; E77-A79 PolarHBondContact O-N 3.28Å; A79-Q82 PolarHBondContact O-N 2.8Å; A79-K83 PolarHBondContact O-N 2.91Å
80	S	85.6	Confident	72.1	Confident	75 Å²	75	80.7 Å²	80.7	52%	0.524	43%	0.433	S	S	.	.	H	α-helix	trans	-69.8	-36.8	178.7	-57.2	0	0	0	0	111.8	I76 E77 S78 Y84	I76-S80 WeakPolarHBondContact O-CB 3.29Å; I76-S80 PolarHBondContact O-N 3.4Å; I76-S80 VanDerWaalsContact O-N 3.14Å; I76-S80 PolarHBondContact O-OG 2.88Å; E77-S80 PolarHBondContact O-N 2.9Å; E77-S80 VanDerWaalsContact O-N 3.12Å; S78-S80 VanDerWaalsContact C-N 3.34Å; S80-Y84 PolarHBondContact O-N 2.9Å
81	R	86	Confident	74.6	Confident	99 Å²	99	76.5 Å²	76.5	37%	0.374	40%	0.403	S	S	.	.	H	α-helix	trans	-66.3	-43.9	171.8	-63.6	179	-163.3	-176.6	8	112.1	E77 K83 Y84 E85 E363 T364	E77-R81 WeakPolarHBondContact O-CG 3.37Å; E77-R81 PolarHBondContact O-N 3.02Å; E77-R81 IonicContact OE2-NH2 3.73Å; E77-R81 PolarHBondContact OE2-NH2 3.38Å; R81-K83 VanDerWaalsContact C-N 3.35Å; R81-K83 PolarHBondContact O-N 3.17Å; R81-Y84 PolarHBondContact O-N 3.09Å; R81-E85 PolarHBondContact O-N 3.42Å; R81-E363 IonicContact NH1-OE2 2.71Å; R81-T364 HydrophobicContact CB-CG2 3.81Å
82	Q	86.7	Confident	77	Confident	28 Å²	28	77.4 Å²	77.4	13%	0.131	40%	0.395	C	S	.	.	H	α-helix	trans	-57.8	-44.7	174.6	-83.4	159.2	90.3	0	0	112.3	S78 A79 E85 L86 P120 T364 Y367	S78-Q82 VanDerWaalsContact C-NE2 3.34Å; S78-Q82 PolarHBondContact O-N 3.02Å; S78-Q82 VanDerWaalsContact O-N 3.1Å; S78-Q82 PolarHBondContact O-NE2 3.01Å; A79-Q82 PolarHBondContact O-N 2.8Å; Q82-E85 PolarHBondContact O-N 2.93Å; Q82-L86 PolarHBondContact O-N 2.79Å; Q82-L86 VanDerWaalsContact O-N 3.11Å; Q82-P120 VanDerWaalsContact CD-CG 3.49Å; Q82-P120 HydrophobicContact CG-CG 4.1Å; Q82-T364 WeakPolarHBondContact CG-O 3.37Å; Q82-Y367 HydrophobicContact CB-CE2 4.06Å; Q82-Y367 HydrophobicContact CG-CE2 4.08Å; Q82-Y367 WeakPolarHBondContact O-CE2 3.37Å
83	K	87.2	Confident	79.2	Confident	87 Å²	87	73.6 Å²	73.6	38%	0.378	38%	0.375	S	S	.	.	H	α-helix	trans	-63.3	-44.9	175.2	178.5	169.9	177.9	173.3	0	111.9	L58 A79 R81 E85 L86 D87	L58-K83 HydrophobicContact CD1-CB 3.82Å; L58-K83 HydrophobicContact CD1-CD 4.13Å; L58-K83 HydrophobicContact CD1-CG 3.86Å; A79-K83 PolarHBondContact O-N 2.91Å; R81-K83 VanDerWaalsContact C-N 3.35Å; R81-K83 PolarHBondContact O-N 3.17Å; K83-E85 PolarHBondContact O-N 3.15Å; K83-L86 PolarHBondContact O-N 3.43Å; K83-D87 WeakPolarHBondContact CE-OD2 3.5Å; K83-D87 WeakPolarHBondContact CG-OD2 3.3Å; K83-D87 WeakPolarHBondContact O-CB 3.4Å; K83-D87 PolarHBondContact O-N 2.96Å
84	Y	89.3	Confident	81.4	Confident	138 Å²	138	66 Å²	66	54%	0.541	35%	0.352	S	S	.	.	H	α-helix	trans	-56.5	-39.3	177	174.1	-98.3	0	0	0	112	S80 R81 R88	S80-Y84 PolarHBondContact O-N 2.9Å; R81-Y84 PolarHBondContact O-N 3.09Å; Y84-R88 HydrophobicContact CE1-CB 4.45Å; Y84-R88 WeakPolarHBondContact O-CB 3.33Å; Y84-R88 PolarHBondContact O-N 2.58Å
85	E	88.3	Confident	83.5	Confident	5 Å²	5	63 Å²	63	2%	0.023	35%	0.347	C	S	.	.	H	α-helix	trans	-69.9	-40.2	177.3	-72.7	-57.8	129	0	0	113.7	R81 Q82 K83 R88 L89 Y360 T364 Y367	R81-E85 PolarHBondContact O-N 3.42Å; Q82-E85 PolarHBondContact O-N 2.93Å; K83-E85 PolarHBondContact O-N 3.15Å; E85-R88 VanDerWaalsContact CD-NE 3.31Å; E85-R88 PolarHBondContact O-N 3.01Å; E85-R88 IonicContact OE1-CZ 3.71Å; E85-R88 IonicContact OE1-NE 2.66Å; E85-R88 PolarHBondContact OE1-NE 3.36Å; E85-R88 IonicContact OE1-NH2 3.88Å; E85-R88 IonicContact OE2-CZ 3.38Å; E85-R88 IonicContact OE2-NE 3.89Å; E85-R88 PolarHBondContact OE2-NE 2.98Å; E85-R88 IonicContact OE2-NH2 2.72Å; E85-R88 PolarHBondContact OE2-NH2 3.06Å; E85-L89 WeakPolarHBondContact O-CB 3.31Å; E85-L89 WeakPolarHBondContact O-CG 3.47Å; E85-L89 PolarHBondContact O-N 3.11Å; E85-Y360 PolarHBondContact OE1-OH 3.39Å; E85-T364 HydrophobicContact CG-CG2 4.27Å; E85-Y367 HydrophobicContact CB-CD2 3.75Å; E85-Y367 HydrophobicContact CB-CE2 4.4Å
86	L	86.9	Confident	85.3	Confident	6 Å²	6	64.5 Å²	64.5	3%	0.031	35%	0.348	C	S	.	.	H	α-helix	trans	-59.4	-49.3	170.8	-78.3	167.7	0	0	0	111.5	L58 Q82 K83 L89 G90 M91 V93 L179 Y367	L58-L86 HydrophobicContact CD1-CD1 3.9Å; L58-L86 HydrophobicContact CD2-CD1 4.32Å; Q82-L86 PolarHBondContact O-N 2.79Å; Q82-L86 VanDerWaalsContact O-N 3.11Å; K83-L86 PolarHBondContact O-N 3.43Å; L86-L89 PolarHBondContact O-N 2.98Å; L86-G90 PolarHBondContact O-N 3.11Å; L86-M91 HydrophobicContact CD2-CB 3.89Å; L86-M91 PolarHBondContact O-N 3.27Å; L86-V93 HydrophobicContact CD2-CG1 4.36Å; L86-L179 HydrophobicContact CD2-CD1 4.46Å; L86-Y367 HydrophobicContact CD1-CE1 4.15Å; L86-Y367 HydrophobicContact CD2-CD1 3.71Å; L86-Y367 HydrophobicContact CD2-CE1 3.48Å; L86-Y367 VanDerWaalsContact CD2-CE1 3.48Å; L86-Y367 HydrophobicContact CD2-CG 4.4Å; L86-Y367 HydrophobicContact CG-CD1 4.16Å; L86-Y367 HydrophobicContact CG-CD2 4.47Å; L86-Y367 HydrophobicContact CG-CE1 3.73Å; L86-Y367 HydrophobicContact CG-CE2 4.04Å
87	D	87.6	Confident	87	Confident	103 Å²	103	62.4 Å²	62.4	55%	0.551	35%	0.347	S	S	*	.	H	α-helix	trans	-65.1	-40.5	179.2	-67.3	-19.4	0	0	0	111.2	K83 L89 G90	K83-D87 WeakPolarHBondContact CE-OD2 3.5Å; K83-D87 WeakPolarHBondContact CG-OD2 3.3Å; K83-D87 WeakPolarHBondContact O-CB 3.4Å; K83-D87 PolarHBondContact O-N 2.96Å; D87-L89 PolarHBondContact O-N 2.89Å; D87-G90 PolarHBondContact O-N 3.38Å
88	R	87.5	Confident	88.3	Confident	119 Å²	119	58.1 Å²	58.1	45%	0.449	33%	0.328	S	S	.	.	H	α-helix	trans	-63	-39	177.6	179.1	174.4	81.2	93.7	1.5	112.4	Y84 E85 E368	Y84-R88 HydrophobicContact CE1-CB 4.45Å; Y84-R88 WeakPolarHBondContact O-CB 3.33Å; Y84-R88 PolarHBondContact O-N 2.58Å; E85-R88 VanDerWaalsContact CD-NE 3.31Å; E85-R88 PolarHBondContact O-N 3.01Å; E85-R88 IonicContact OE1-CZ 3.71Å; E85-R88 IonicContact OE1-NE 2.66Å; E85-R88 PolarHBondContact OE1-NE 3.36Å; E85-R88 IonicContact OE1-NH2 3.88Å; E85-R88 IonicContact OE2-CZ 3.38Å; E85-R88 IonicContact OE2-NE 3.89Å; E85-R88 PolarHBondContact OE2-NE 2.98Å; E85-R88 IonicContact OE2-NH2 2.72Å; E85-R88 PolarHBondContact OE2-NH2 3.06Å; R88-E368 IonicContact CZ-OE1 2.66Å; R88-E368 IonicContact NH1-OE1 3.41Å; R88-E368 IonicContact NH2-OE1 3.38Å; R88-E368 PolarHBondContact NH2-OE1 3.33Å
89	L	85	Confident	89.4	Confident	33 Å²	33	59.5 Å²	59.5	17%	0.173	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	1.3	-179.8	-61.9	167.9	0	0	0	112.6	E85 L86 D87 M91 Q185 E368	E85-L89 WeakPolarHBondContact O-CB 3.31Å; E85-L89 WeakPolarHBondContact O-CG 3.47Å; E85-L89 PolarHBondContact O-N 3.11Å; L86-L89 PolarHBondContact O-N 2.98Å; D87-L89 PolarHBondContact O-N 2.89Å; L89-M91 HydrophobicContact CB-CE 3.57Å; L89-M91 HydrophobicContact CB-CG 4.33Å; L89-M91 HydrophobicContact CD1-CE 3.48Å; L89-M91 VanDerWaalsContact CD1-CE 3.48Å; L89-M91 HydrophobicContact CG-CE 4.14Å; L89-M91 PolarHBondContact O-N 2.9Å; L89-Q185 VanDerWaalsContact O-CD 3.22Å; L89-Q185 PolarHBondContact O-NE2 3.23Å; L89-Q185 PolarHBondContact O-OE1 3.03Å; L89-E368 HydrophobicContact CD1-CG 3.73Å; L89-E368 HydrophobicContact CD2-CG 4.17Å
90	G	84.9	Confident	90.1	Very high	49 Å²	49	57.3 Å²	57.3	51%	0.505	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	29.2	-179.5	0	0	0	0	0	113.7	L86 D87	L86-G90 PolarHBondContact O-N 3.11Å; D87-G90 PolarHBondContact O-N 3.38Å
91	M	87.8	Confident	90.5	Very high	5 Å²	5	57 Å²	57	3%	0.025	31%	0.31	C	S	.	.			trans	-98.2	144.9	-179.3	-74.2	-165.9	-86.4	0	0	111.3	L86 L89 L179 A181 L371	L86-M91 HydrophobicContact CD2-CB 3.89Å; L86-M91 PolarHBondContact O-N 3.27Å; L89-M91 HydrophobicContact CB-CE 3.57Å; L89-M91 HydrophobicContact CB-CG 4.33Å; L89-M91 HydrophobicContact CD1-CE 3.48Å; L89-M91 VanDerWaalsContact CD1-CE 3.48Å; L89-M91 HydrophobicContact CG-CE 4.14Å; L89-M91 PolarHBondContact O-N 2.9Å; M91-L179 HydrophobicContact CB-CD1 4.3Å; M91-L179 HydrophobicContact SD-CD1 3.86Å; M91-L179 HydrophobicContact SD-CD2 4.07Å; M91-L179 HydrophobicContact SD-CG 4.18Å; M91-A181 HydrophobicContact CG-CB 3.58Å; M91-A181 HydrophobicContact SD-CB 3.61Å; M91-L371 HydrophobicContact CE-CB 4.11Å; M91-L371 HydrophobicContact SD-CB 4.08Å; M91-L371 HydrophobicContact SD-CD1 4.44Å
92	T	89.5	Confident	90.8	Very high	89 Å²	89	53.4 Å²	53.4	55%	0.546	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	160.5	177.4	59.8	0	0	0	0	110.9	H180	T92-H180 PolarHBondContact N-O 2.58Å; T92-H180 PolarHBondContact O-N 3.22Å
93	V	90.9	Very high	90.8	Very high	12 Å²	12	54.5 Å²	54.5	7%	0.073	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	140.6	179.4	-68	0	0	0	0	112	L58 L86 N177 K178 L179	L58-V93 HydrophobicContact CD2-CG2 3.82Å; L86-V93 HydrophobicContact CD2-CG1 4.36Å; V93-N177 HydrophobicContact CB-CB 4.09Å; V93-N177 HydrophobicContact CG1-CB 4.3Å; V93-K178 VanDerWaalsContact CA-O 3.22Å; V93-K178 WeakPolarHBondContact CA-O 3.39Å; V93-L179 HydrophobicContact CG1-CD1 4.1Å
94	S	94.1	Very high	90.7	Very high	39 Å²	39	60.5 Å²	60.5	27%	0.273	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.5	169.5	71.6	0	0	0	0	110.7	N96 N177 K178 H180	S94-N96 PolarHBondContact O-N 2.83Å; S94-N96 PolarHBondContact O-OD1 2.99Å; S94-N96 PolarHBondContact OG-OD1 3.02Å; S94-N96 VanDerWaalsContact OG-OD1 3.11Å; S94-N177 WeakPolarHBondContact O-CA 3.19Å; S94-K178 PolarHBondContact N-O 2.95Å; S94-K178 PolarHBondContact O-N 2.79Å; S94-K178 WeakPolarHBondContact OG-CB 3.44Å; S94-H180 PolarHBondContact OG-NE2 2.78Å
95	T	95.5	Very high	90.6	Very high	99 Å²	99	57.5 Å²	57.5	61%	0.607	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	114.4	179	-53.8	0	0	0	0	110.6	L146 Y176 N177	T95-L146 HydrophobicContact CG2-CD1 3.74Å; T95-Y176 WeakPolarHBondContact CA-O 3.1Å; T95-N177 PolarHBondContact OG1-OD1 2.91Å
96	N	95.9	Very high	90.4	Very high	62 Å²	62	60.8 Å²	60.8	33%	0.332	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	167.5	-179.3	-69.6	26.4	0	0	0	110.3	S94 Y176	S94-N96 PolarHBondContact O-N 2.83Å; S94-N96 PolarHBondContact O-OD1 2.99Å; S94-N96 PolarHBondContact OG-OD1 3.02Å; S94-N96 VanDerWaalsContact OG-OD1 3.11Å; N96-Y176 HydrophobicContact CB-CD1 4.04Å; N96-Y176 HydrophobicContact CB-CE1 3.43Å; N96-Y176 VanDerWaalsContact CB-CE1 3.43Å; N96-Y176 HydrophobicContact CB-CE2 4.06Å; N96-Y176 VanDerWaalsContact CB-CZ 3.45Å; N96-Y176 PolarHBondContact N-O 3.22Å; N96-Y176 PolarHBondContact ND2-OH 2.85Å; N96-Y176 PolarHBondContact O-N 3.33Å
97	A	96	Very high	90.4	Very high	64 Å²	64	64.5 Å²	64.5	53%	0.529	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	143.3	168.7	0	0	0	0	0	110	I174	A97-I174 WeakPolarHBondContact CA-O 3.46Å
98	V	96.2	Very high	90.7	Very high	11 Å²	11	59.9 Å²	59.9	7%	0.067	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	147.1	-178.1	62.6	0	0	0	0	110.1	I100 E136 L139 V173 I174 Y176	V98-I100 HydrophobicContact CG1-CD1 4.26Å; V98-I100 HydrophobicContact CG1-CG1 4.32Å; V98-I100 HydrophobicContact CG2-CG1 3.99Å; V98-E136 HydrophobicContact CG2-CG 3.96Å; V98-E136 VanDerWaalsContact CG2-OE1 3.25Å; V98-E136 WeakPolarHBondContact CG2-OE1 3.08Å; V98-E136 WeakPolarHBondContact CG2-OE2 3.23Å; V98-L139 HydrophobicContact CG1-CD1 4.46Å; V98-L139 HydrophobicContact CG1-CD2 3.97Å; V98-L139 HydrophobicContact CG1-CG 4.17Å; V98-V173 CarbonylContact O-C 3.55Å; V98-V173 WeakPolarHBondContact O-CA 3.24Å; V98-I174 HydrophobicContact CG1-CB 3.95Å; V98-I174 PolarHBondContact N-O 2.57Å; V98-I174 PolarHBondContact O-N 3.05Å; V98-Y176 HydrophobicContact CB-CE1 4.07Å; V98-Y176 HydrophobicContact CG1-CD1 4.13Å; V98-Y176 HydrophobicContact CG1-CE1 3.8Å
99	V	95.9	Very high	91	Very high	77 Å²	77	54.8 Å²	54.8	47%	0.467	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	121.2	172.6	-170.7	0	0	0	0	108	E171 V173	V99-E171 HydrophobicContact CG1-CB 4.08Å; V99-E171 HydrophobicContact CG1-CG 4.5Å; V99-V173 HydrophobicContact CG1-CG2 4.46Å; V99-V173 HydrophobicContact CG2-CG2 4.2Å
100	I	95.2	Very high	91.5	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.015	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	113.7	179.9	-57.2	178.7	0	0	0	108.5	V98 I108 P132 A133 E136 L139 V172 I174	V98-I100 HydrophobicContact CG1-CD1 4.26Å; V98-I100 HydrophobicContact CG1-CG1 4.32Å; V98-I100 HydrophobicContact CG2-CG1 3.99Å; I100-I108 HydrophobicContact CG2-CB 4.1Å; I100-I108 HydrophobicContact CG2-CG2 3.96Å; I100-P132 HydrophobicContact CG2-CB 3.75Å; I100-A133 HydrophobicContact CD1-CB 4.03Å; I100-E136 HydrophobicContact CG1-CG 4.44Å; I100-L139 HydrophobicContact CD1-CD1 3.55Å; I100-L139 HydrophobicContact CD1-CG 4.32Å; I100-V172 PolarHBondContact N-O 3.1Å; I100-V172 PolarHBondContact O-N 3.39Å; I100-I174 HydrophobicContact CD1-CD1 4.35Å
101	T	93.9	Very high	92	Very high	70 Å²	70	54 Å²	54	43%	0.429	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	134.1	168.7	-38.4	0	0	0	0	109.4	P132 D170 E171	T101-P132 WeakPolarHBondContact O-CB 3.42Å; T101-D170 CarbonylContact C-O 3.54Å; T101-D170 WeakPolarHBondContact CA-O 3.11Å; T101-E171 HydrophobicContact CG2-CG 4.17Å
102	K	91.7	Very high	92.4	Very high	22 Å²	22	54.9 Å²	54.9	10%	0.096	32%	0.321	C	S	.	.			trans	-70.9	163.6	-178.5	-63.8	-178.5	175.9	-178.6	0	112.8	N106 L107 I108 I165 Q166 A168 T169 D170 V172	K102-N106 WeakPolarHBondContact CD-OD1 3.32Å; K102-N106 WeakPolarHBondContact CE-OD1 3.49Å; K102-N106 PolarHBondContact NZ-OD1 3.21Å; K102-L107 WeakPolarHBondContact CA-O 3.23Å; K102-I108 HydrophobicContact CG-CG2 3.88Å; K102-I165 VanDerWaalsContact CE-O 3.23Å; K102-I165 WeakPolarHBondContact CE-O 3.48Å; K102-I165 PolarHBondContact NZ-O 2.81Å; K102-Q166 PolarHBondContact NZ-O 2.85Å; K102-Q166 VanDerWaalsContact NZ-O 3.16Å; K102-A168 PolarHBondContact NZ-O 3.49Å; K102-T169 WeakPolarHBondContact CD-O 3.11Å; K102-T169 WeakPolarHBondContact CE-O 3.45Å; K102-T169 PolarHBondContact NZ-O 3.21Å; K102-D170 PolarHBondContact N-O 3.37Å; K102-V172 HydrophobicContact CD-CG2 4.4Å; K102-V172 VanDerWaalsContact CE-CG2 3.43Å; K102-V172 HydrophobicContact CG-CG2 4.16Å
103	D	88.1	Confident	92.6	Very high	52 Å²	52	51 Å²	51	28%	0.278	30%	0.299	S	S	.	.			trans	-87.8	179.1	169.1	61.4	44.6	0	0	0	113	S105 N106 L107 P132	D103-S105 PolarHBondContact O-N 3.45Å; D103-S105 VanDerWaalsContact O-N 3.1Å; D103-S105 VanDerWaalsContact OD1-CA 3.31Å; D103-S105 WeakPolarHBondContact OD1-CA 3.41Å; D103-S105 WeakPolarHBondContact OD1-CB 3.36Å; D103-S105 PolarHBondContact OD1-N 2.89Å; D103-S105 PolarHBondContact OD1-OG 3.32Å; D103-N106 PolarHBondContact O-N 3.05Å; D103-N106 PolarHBondContact OD1-N 3.21Å; D103-L107 PolarHBondContact N-O 3.24Å; D103-L107 PolarHBondContact OD1-N 3.38Å; D103-L107 VanDerWaalsContact OD1-N 3.11Å; D103-P132 HydrophobicContact CB-CG 3.75Å; D103-P132 WeakPolarHBondContact OD2-CD 3.48Å
104	Q	85.5	Confident	92.7	Very high	212 Å²	212	51.3 Å²	51.3	99%	0.991	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-13.6	179.8	-58.4	179.2	27.5	0	0	113.8
105	S	85.4	Confident	92.7	Very high	76 Å²	76	49.7 Å²	49.7	53%	0.531	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	8.4	177	74.2	0	0	0	0	113.6	D103 L107	D103-S105 PolarHBondContact O-N 3.45Å; D103-S105 VanDerWaalsContact O-N 3.1Å; D103-S105 VanDerWaalsContact OD1-CA 3.31Å; D103-S105 WeakPolarHBondContact OD1-CA 3.41Å; D103-S105 WeakPolarHBondContact OD1-CB 3.36Å; D103-S105 PolarHBondContact OD1-N 2.89Å; D103-S105 PolarHBondContact OD1-OG 3.32Å; S105-L107 PolarHBondContact O-N 3.47Å; S105-L107 WeakPolarHBondContact OG-CD1 3.38Å; S105-L107 WeakPolarHBondContact OG-CG 3.2Å
106	N	84.1	Confident	92.4	Very high	74 Å²	74	46.5 Å²	46.5	40%	0.396	28%	0.278	S	S	.	.	S	Bend	trans	63.8	25	-174.3	-171.5	40.5	0	0	0	113.2	K102 D103 Q166	K102-N106 WeakPolarHBondContact CD-OD1 3.32Å; K102-N106 WeakPolarHBondContact CE-OD1 3.49Å; K102-N106 PolarHBondContact NZ-OD1 3.21Å; D103-N106 PolarHBondContact O-N 3.05Å; D103-N106 PolarHBondContact OD1-N 3.21Å; N106-Q166 PolarHBondContact ND2-O 2.95Å
107	L	88.5	Confident	92	Very high	84 Å²	84	49.4 Å²	49.4	44%	0.44	30%	0.3	S	S	.	.			trans	-108.8	163.9	179	-61.1	-178.7	0	0	0	112.3	K102 D103 S105	K102-L107 WeakPolarHBondContact CA-O 3.23Å; D103-L107 PolarHBondContact N-O 3.24Å; D103-L107 PolarHBondContact OD1-N 3.38Å; D103-L107 VanDerWaalsContact OD1-N 3.11Å; S105-L107 PolarHBondContact O-N 3.47Å; S105-L107 WeakPolarHBondContact OG-CD1 3.38Å; S105-L107 WeakPolarHBondContact OG-CG 3.2Å
108	I	92.4	Very high	91.6	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.031	30%	0.296	C	S	.	.			trans	-119.3	-16.2	170.9	63	169.4	0	0	0	113.4	I100 K102 I110 A133 I165 V172 I174	I100-I108 HydrophobicContact CG2-CB 4.1Å; I100-I108 HydrophobicContact CG2-CG2 3.96Å; K102-I108 HydrophobicContact CG-CG2 3.88Å; I108-I110 HydrophobicContact CD1-CD1 3.82Å; I108-I110 HydrophobicContact CD1-CG1 3.93Å; I108-I110 HydrophobicContact CG1-CG1 4.2Å; I108-A133 WeakPolarHBondContact O-CB 3.5Å; I108-A133 PolarHBondContact O-N 2.92Å; I108-I165 HydrophobicContact CD1-CD1 4.37Å; I108-I165 HydrophobicContact CD1-CG2 3.68Å; I108-I165 HydrophobicContact CG1-CG2 3.95Å; I108-V172 HydrophobicContact CG2-CG2 4.16Å; I108-I174 HydrophobicContact CD1-CD1 3.68Å
109	G	93.8	Very high	91.4	Very high	11 Å²	11	50.2 Å²	50.2	11%	0.113	29%	0.294	C	S	.	.			trans	84.1	36.7	174.2	0	0	0	0	0	117.8	F128 T131	G109-F128 PolarHBondContact O-N 3.12Å; G109-T131 WeakPolarHBondContact CA-OG1 3.46Å
110	I	95.9	Very high	91.1	Very high	25 Å²	25	48.2 Å²	48.2	13%	0.128	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.1	171.6	70.9	178	0	0	0	112	I108 I112 I124 I127 A133 L139 I165 I174	I108-I110 HydrophobicContact CD1-CD1 3.82Å; I108-I110 HydrophobicContact CD1-CG1 3.93Å; I108-I110 HydrophobicContact CG1-CG1 4.2Å; I110-I112 HydrophobicContact CD1-CD1 4.43Å; I110-I112 HydrophobicContact CD1-CG1 4.4Å; I110-I112 HydrophobicContact CG1-CG1 4.32Å; I110-I124 HydrophobicContact CB-CG2 4.47Å; I110-I127 HydrophobicContact CG2-CG1 4.2Å; I110-A133 HydrophobicContact CG2-CB 3.58Å; I110-L139 HydrophobicContact CG2-CD1 4.32Å; I110-I165 HydrophobicContact CD1-CD1 4.46Å; I110-I174 HydrophobicContact CD1-CD1 4.16Å
111	S	95.8	Very high	91	Very high	42 Å²	42	48.3 Å²	48.3	29%	0.294	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	140.8	168.2	-177.2	0	0	0	0	110.4	I124 V125 Q126	S111-I124 CarbonylContact O-C 3.6Å; S111-I124 WeakPolarHBondContact O-CA 3.37Å; S111-V125 PolarHBondContact O-N 2.83Å; S111-Q126 PolarHBondContact N-O 3.33Å
112	I	95.6	Very high	91.1	Very high	22 Å²	22	45.1 Å²	45.1	11%	0.113	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124.6	-170.5	-54.7	179.1	0	0	0	111	I110 L122 Y123 L145 K158 V161 I165	I110-I112 HydrophobicContact CD1-CD1 4.43Å; I110-I112 HydrophobicContact CD1-CG1 4.4Å; I110-I112 HydrophobicContact CG1-CG1 4.32Å; I112-L122 HydrophobicContact CG2-CB 4.31Å; I112-L122 HydrophobicContact CG2-CD2 3.79Å; I112-Y123 WeakPolarHBondContact CA-O 3.37Å; I112-L145 HydrophobicContact CD1-CD1 3.85Å; I112-L145 HydrophobicContact CG1-CD1 4.06Å; I112-L145 HydrophobicContact CG2-CD1 4.01Å; I112-K158 HydrophobicContact CB-CB 4.5Å; I112-K158 HydrophobicContact CG2-CB 4.12Å; I112-K158 WeakPolarHBondContact O-CD 3.33Å; I112-V161 HydrophobicContact CD1-CB 4.35Å; I112-V161 HydrophobicContact CD1-CG1 3.75Å; I112-I165 HydrophobicContact CD1-CD1 3.85Å
113	G	94.5	Very high	91.3	Very high	7 Å²	7	44.2 Å²	44.2	7%	0.072	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	173.7	175.2	0	0	0	0	0	112.8	L122 Y123 V125	G113-L122 WeakPolarHBondContact O-CA 3.21Å; G113-Y123 PolarHBondContact N-O 2.86Å; G113-Y123 PolarHBondContact O-N 2.81Å; G113-Y123 VanDerWaalsContact O-N 3.11Å; G113-V125 VanDerWaalsContact CA-CG2 3.5Å
114	G	93.6	Very high	91.7	Very high	19 Å²	19	41.8 Å²	41.8	20%	0.196	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65.8	-147.3	-174.7	0	0	0	0	0	113.5	Y123	G114-Y123 PolarHBondContact N-OH 3.11Å
115	G	92.5	Very high	92.3	Very high	6 Å²	6	32.9 Å²	32.9	6%	0.062	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	84.9	171.5	-172.8	0	0	0	0	0	114.9	C119 C121 K156	G115-C119 CarbonylContact C-O 3.54Å; G115-C119 PolarHBondContact O-N 3.14Å; G115-C119 VanDerWaalsContact O-O 3.1Å; G115-C121 PolarHBondContact N-O 3.22Å; G115-K156 WeakPolarHBondContact CA-O 3.39Å
116	A	90.1	Very high	92.8	Very high	32 Å²	32	30.5 Å²	30.5	26%	0.264	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	151.1	-178.9	0	0	0	0	0	112.3	G155 K156	A116-G155 VanDerWaalsContact CB-O 3.32Å; A116-G155 WeakPolarHBondContact CB-O 3.08Å; A116-K156 PolarHBondContact N-O 2.77Å
117	P	87.7	Confident	93.3	Very high	123 Å²	123	27.8 Å²	27.8	80%	0.799	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	cis	-84.5	-21.1	0.4	33.2	-34.8	0	0	0	114.5
118	M	87.8	Confident	93.6	Very high	87 Å²	87	28.1 Å²	28.1	43%	0.429	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-29.5	-164.8	-54	-58.9	-78	0	0	114.5	V362	M118-V362 HydrophobicContact CB-CG1 4.09Å
119	C	90.8	Very high	93.6	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.034	20%	0.198	C	C	.	.			trans	-119	130	-173.6	-173.8	0	0	0	0	110.8	G115 C121 V362	G115-C119 CarbonylContact C-O 3.54Å; G115-C119 PolarHBondContact O-N 3.14Å; G115-C119 VanDerWaalsContact O-O 3.1Å; C119-C121 VanDerWaalsContact C-N 3.28Å; C119-C121 PolarHBondContact O-N 2.83Å; C119-C121 PolarHBondContact SG-O 2.96Å; C119-V362 HydrophobicContact CB-CG1 3.7Å
120	P	91.2	Very high	93.4	Very high	34 Å²	34	36.4 Å²	36.4	22%	0.221	23%	0.231	C	C	.	.	S	Bend	trans	-71.5	-20.8	-174.2	29.4	-37.1	0	0	0	114	Q82 V362 E363	Q82-P120 VanDerWaalsContact CD-CG 3.49Å; Q82-P120 HydrophobicContact CG-CG 4.1Å; P120-V362 WeakPolarHBondContact CD-O 3.35Å; P120-E363 VanDerWaalsContact CD-O 3.28Å; P120-E363 WeakPolarHBondContact CD-O 3.49Å; P120-E363 WeakPolarHBondContact CG-O 3.45Å
121	C	92.1	Very high	93.3	Very high	6 Å²	6	36.4 Å²	36.4	4%	0.041	23%	0.232	C	C	.	.	S	Bend	trans	-125.9	165.6	-179.8	64.4	0	0	0	0	111.7	G115 C119 E144	G115-C121 PolarHBondContact N-O 3.22Å; C119-C121 VanDerWaalsContact C-N 3.28Å; C119-C121 PolarHBondContact O-N 2.83Å; C119-C121 PolarHBondContact SG-O 2.96Å; C121-E144 HydrophobicContact CB-CG 4.15Å; C121-E144 WeakPolarHBondContact CB-OE1 3.41Å
122	L	96.2	Very high	93.3	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	145	172.9	-69.4	124.9	0	0	0	108.8	I112 G113 E144 L145 V153 K158 V161	I112-L122 HydrophobicContact CG2-CB 4.31Å; I112-L122 HydrophobicContact CG2-CD2 3.79Å; G113-L122 WeakPolarHBondContact O-CA 3.21Å; L122-E144 CarbonylContact O-C 3.5Å; L122-E144 VanDerWaalsContact O-CA 3.31Å; L122-E144 WeakPolarHBondContact O-CA 3.36Å; L122-L145 HydrophobicContact CB-CB 4.31Å; L122-L145 PolarHBondContact O-N 3.09Å; L122-V153 HydrophobicContact CD1-CB 3.86Å; L122-V153 HydrophobicContact CD1-CG2 3.65Å; L122-V153 VanDerWaalsContact CD1-O 3.23Å; L122-V153 WeakPolarHBondContact CD1-O 3.22Å; L122-K158 HydrophobicContact CD2-CB 4.07Å; L122-V161 HydrophobicContact CD1-CG2 3.87Å; L122-V161 HydrophobicContact CD2-CG2 4Å
123	Y	96	Very high	93.3	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	158.7	-177.5	50.2	-94.9	0	0	0	112.1	I112 G113 G114 V125 D143 N366 Y369 R370 L373	I112-Y123 WeakPolarHBondContact CA-O 3.37Å; G113-Y123 PolarHBondContact N-O 2.86Å; G113-Y123 PolarHBondContact O-N 2.81Å; G113-Y123 VanDerWaalsContact O-N 3.11Å; G114-Y123 PolarHBondContact N-OH 3.11Å; Y123-V125 HydrophobicContact CD2-CG2 4.23Å; Y123-V125 HydrophobicContact CE2-CG2 4Å; Y123-V125 PolarHBondContact O-N 3.14Å; Y123-D143 CarbonylContact C-O 3.5Å; Y123-D143 WeakPolarHBondContact CA-O 3.31Å; Y123-D143 VanDerWaalsContact CB-O 3.28Å; Y123-D143 WeakPolarHBondContact CB-O 3.38Å; Y123-N366 HydrophobicContact CE1-CB 3.94Å; Y123-N366 PolarHBondContact OH-ND2 2.63Å; Y123-Y369 AromaticContact CE2-CD1 3.92Å; Y123-Y369 HydrophobicContact CE2-CD1 3.92Å; Y123-Y369 AromaticContact CE2-CE1 3.94Å; Y123-Y369 HydrophobicContact CE2-CE1 3.94Å; Y123-R370 HydrophobicContact CD1-CG 4.05Å; Y123-R370 HydrophobicContact CD2-CG 3.86Å; Y123-R370 HydrophobicContact CE1-CG 4.39Å; Y123-R370 HydrophobicContact CE2-CG 4.23Å; Y123-R370 HydrophobicContact CG-CG 3.78Å; Y123-L373 HydrophobicContact CD2-CD1 4.41Å; Y123-L373 HydrophobicContact CE2-CD1 4.41Å
124	I	97.1	Very high	93.3	Very high	0 Å²	0	35 Å²	35	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	122	177.7	-58.8	179.2	0	0	0	108.5	I110 S111 I127 L139 S141 G142 D143 L145	I110-I124 HydrophobicContact CB-CG2 4.47Å; S111-I124 CarbonylContact O-C 3.6Å; S111-I124 WeakPolarHBondContact O-CA 3.37Å; I124-I127 HydrophobicContact CG2-CD1 4.3Å; I124-I127 HydrophobicContact CG2-CG1 3.69Å; I124-L139 HydrophobicContact CD1-CB 3.81Å; I124-L139 HydrophobicContact CD1-CD1 3.88Å; I124-L139 HydrophobicContact CD1-CD2 4Å; I124-L139 HydrophobicContact CD1-CG 4.12Å; I124-S141 CarbonylContact O-C 3.59Å; I124-S141 WeakPolarHBondContact O-CA 3.49Å; I124-G142 PolarHBondContact O-N 2.97Å; I124-D143 HydrophobicContact CD1-CB 4.41Å; I124-D143 PolarHBondContact N-O 3.47Å; I124-L145 HydrophobicContact CD1-CD2 4.29Å; I124-L145 HydrophobicContact CG1-CD2 4.09Å; I124-L145 HydrophobicContact CG1-CG 4.46Å
125	V	96.8	Very high	93.3	Very high	26 Å²	26	43.1 Å²	43.1	16%	0.158	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-44.1	176.7	170.7	0	0	0	0	111.1	S111 G113 Y123 L373	S111-V125 PolarHBondContact O-N 2.83Å; G113-V125 VanDerWaalsContact CA-CG2 3.5Å; Y123-V125 HydrophobicContact CD2-CG2 4.23Å; Y123-V125 HydrophobicContact CE2-CG2 4Å; Y123-V125 PolarHBondContact O-N 3.14Å; V125-L373 HydrophobicContact CB-CD1 4.43Å; V125-L373 HydrophobicContact CG1-CD1 4.49Å; V125-L373 HydrophobicContact CG1-CD2 4.28Å; V125-L373 HydrophobicContact CG2-CD1 4.39Å
126	Q	95.8	Very high	93.4	Very high	25 Å²	25	46.2 Å²	46.2	12%	0.117	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	149.5	-179.1	-177.3	158.6	-47.4	0	0	108.5	S111	S111-Q126 PolarHBondContact N-O 3.33Å
127	I	95.8	Very high	93.6	Very high	17 Å²	17	46.8 Å²	46.8	9%	0.087	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	135.9	165.3	-55.7	-177.5	0	0	0	105.9	I110 I124 A133 A134 L139	I110-I127 HydrophobicContact CG2-CG1 4.2Å; I124-I127 HydrophobicContact CG2-CD1 4.3Å; I124-I127 HydrophobicContact CG2-CG1 3.69Å; I127-A133 HydrophobicContact CG2-CB 4.03Å; I127-A134 HydrophobicContact CG2-CB 4.01Å; I127-L139 HydrophobicContact CD1-CB 3.71Å; I127-L139 WeakPolarHBondContact CD1-O 3.38Å
128	F	94.7	Very high	94	Very high	92 Å²	92	43.2 Å²	43.2	40%	0.404	25%	0.25	S	S	.	.			trans	-89.4	132.1	-177.8	-63.8	-80.2	0	0	0	110.1	G109 T131 A134	G109-F128 PolarHBondContact O-N 3.12Å; F128-T131 HydrophobicContact CB-CG2 3.75Å; F128-T131 WeakPolarHBondContact O-CB 3.28Å; F128-T131 WeakPolarHBondContact O-CG2 3.4Å; F128-T131 PolarHBondContact O-N 2.95Å; F128-T131 PolarHBondContact O-OG1 2.9Å; F128-A134 WeakPolarHBondContact O-CB 3.42Å
129	D	91.3	Very high	94.4	Very high	111 Å²	111	39.2 Å²	39.2	59%	0.594	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	151.5	-179.5	-61.5	-58	0	0	0	111.2	T131 R380	D129-T131 PolarHBondContact O-N 3.31Å; D129-T131 VanDerWaalsContact O-N 3.09Å; D129-R380 IonicContact OD2-CZ 3.55Å; D129-R380 IonicContact OD2-NE 2.79Å; D129-R380 PolarHBondContact OD2-NE 2.97Å; D129-R380 IonicContact OD2-NH2 2.91Å; D129-R380 PolarHBondContact OD2-NH2 3.27Å
130	G	90.5	Very high	94.7	Very high	80 Å²	80	41.3 Å²	41.3	83%	0.825	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.7	-15.9	-177.2	0	0	0	0	0	116.6
131	T	94.4	Very high	94.9	Very high	24 Å²	24	40 Å²	40	15%	0.147	23%	0.232	C	C	.	.	S	Bend	trans	-78.3	166.7	-176.6	68.9	0	0	0	0	114.1	G109 F128 D129 A133 A134 R135	G109-T131 WeakPolarHBondContact CA-OG1 3.46Å; F128-T131 HydrophobicContact CB-CG2 3.75Å; F128-T131 WeakPolarHBondContact O-CB 3.28Å; F128-T131 WeakPolarHBondContact O-CG2 3.4Å; F128-T131 PolarHBondContact O-N 2.95Å; F128-T131 PolarHBondContact O-OG1 2.9Å; D129-T131 PolarHBondContact O-N 3.31Å; D129-T131 VanDerWaalsContact O-N 3.09Å; T131-A133 VanDerWaalsContact C-N 3.34Å; T131-A133 PolarHBondContact O-N 2.95Å; T131-A134 PolarHBondContact O-N 2.86Å; T131-A134 VanDerWaalsContact O-N 3.14Å; T131-R135 PolarHBondContact O-N 2.78Å
132	P	94.8	Very high	95.1	Very high	4 Å²	4	39.8 Å²	39.8	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-56	-40.2	178.9	-27.7	35.7	0	0	0	115	I100 T101 D103 R135 E136	I100-P132 HydrophobicContact CG2-CB 3.75Å; T101-P132 WeakPolarHBondContact O-CB 3.42Å; D103-P132 HydrophobicContact CB-CG 3.75Å; D103-P132 WeakPolarHBondContact OD2-CD 3.48Å; P132-R135 PolarHBondContact O-N 2.96Å; P132-E136 WeakPolarHBondContact O-CB 3.43Å; P132-E136 PolarHBondContact O-N 3.35Å
133	A	95.3	Very high	95.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-68.2	-34.7	177.4	0	0	0	0	0	112.8	I100 I108 I110 I127 T131 G137	I100-A133 HydrophobicContact CD1-CB 4.03Å; I108-A133 WeakPolarHBondContact O-CB 3.5Å; I108-A133 PolarHBondContact O-N 2.92Å; I110-A133 HydrophobicContact CG2-CB 3.58Å; I127-A133 HydrophobicContact CG2-CB 4.03Å; T131-A133 VanDerWaalsContact C-N 3.34Å; T131-A133 PolarHBondContact O-N 2.95Å; A133-G137 PolarHBondContact O-N 3.25Å
134	A	94.5	Very high	95.1	Very high	38 Å²	38	40.3 Å²	40.3	31%	0.314	23%	0.233	S	C	.	.	H	α-helix	trans	-69.6	-36.9	173.6	0	0	0	0	0	112.3	I127 F128 T131	I127-A134 HydrophobicContact CG2-CB 4.01Å; F128-A134 WeakPolarHBondContact O-CB 3.42Å; T131-A134 PolarHBondContact O-N 2.86Å; T131-A134 VanDerWaalsContact O-N 3.14Å
135	R	94.7	Very high	95.1	Very high	189 Å²	189	40.5 Å²	40.5	71%	0.713	23%	0.234	S	C	*	.	H	α-helix	trans	-72	-31.8	177.5	-172.1	-179.3	66.7	-135.9	-3	113.1	T131 P132	T131-R135 PolarHBondContact O-N 2.78Å; P132-R135 PolarHBondContact O-N 2.96Å
136	E	94.5	Very high	95	Very high	71 Å²	71	41.6 Å²	41.6	33%	0.332	24%	0.239	S	C	.	.	H	α-helix	trans	-78.1	-45.2	176.1	-172.1	-71.8	145.2	0	0	111.3	V98 I100 P132 S138	V98-E136 HydrophobicContact CG2-CG 3.96Å; V98-E136 VanDerWaalsContact CG2-OE1 3.25Å; V98-E136 WeakPolarHBondContact CG2-OE1 3.08Å; V98-E136 WeakPolarHBondContact CG2-OE2 3.23Å; I100-E136 HydrophobicContact CG1-CG 4.44Å; P132-E136 WeakPolarHBondContact O-CB 3.43Å; P132-E136 PolarHBondContact O-N 3.35Å; E136-S138 PolarHBondContact O-N 3.28Å; E136-S138 WeakPolarHBondContact OE1-CB 3.47Å; E136-S138 PolarHBondContact OE1-OG 2.91Å; E136-S138 WeakPolarHBondContact OE2-CB 3.42Å; E136-S138 PolarHBondContact OE2-N 3.47Å; E136-S138 PolarHBondContact OE2-OG 3.1Å
137	G	94.2	Very high	95	Very high	45 Å²	45	41 Å²	41	46%	0.464	24%	0.238	S	C	.	.			trans	80.9	-2.5	164.5	0	0	0	0	0	117.6	A133 L139	A133-G137 PolarHBondContact O-N 3.25Å; G137-L139 VanDerWaalsContact C-N 3.33Å
138	S	95.6	Very high	95	Very high	47 Å²	47	40.4 Å²	40.4	33%	0.329	24%	0.235	S	C	.	.			trans	-74.7	-22.5	177.9	-64.6	0	0	0	0	113.3	E136 Y176 K178	E136-S138 PolarHBondContact O-N 3.28Å; E136-S138 WeakPolarHBondContact OE1-CB 3.47Å; E136-S138 PolarHBondContact OE1-OG 2.91Å; E136-S138 WeakPolarHBondContact OE2-CB 3.42Å; E136-S138 PolarHBondContact OE2-N 3.47Å; E136-S138 PolarHBondContact OE2-OG 3.1Å; S138-Y176 WeakPolarHBondContact CB-OH 3.43Å; S138-Y176 PolarHBondContact O-OH 2.87Å; S138-K178 PolarHBondContact O-NZ 3.34Å
139	L	96.5	Very high	95	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.016	23%	0.231	C	C	.	.			trans	-90	145.4	175.6	-62	-178.1	0	0	0	111.9	V98 I100 I110 I124 I127 G137 I174 Y176	V98-L139 HydrophobicContact CG1-CD1 4.46Å; V98-L139 HydrophobicContact CG1-CD2 3.97Å; V98-L139 HydrophobicContact CG1-CG 4.17Å; I100-L139 HydrophobicContact CD1-CD1 3.55Å; I100-L139 HydrophobicContact CD1-CG 4.32Å; I110-L139 HydrophobicContact CG2-CD1 4.32Å; I124-L139 HydrophobicContact CD1-CB 3.81Å; I124-L139 HydrophobicContact CD1-CD1 3.88Å; I124-L139 HydrophobicContact CD1-CD2 4Å; I124-L139 HydrophobicContact CD1-CG 4.12Å; I127-L139 HydrophobicContact CD1-CB 3.71Å; I127-L139 WeakPolarHBondContact CD1-O 3.38Å; G137-L139 VanDerWaalsContact C-N 3.33Å; L139-I174 HydrophobicContact CD1-CD1 4.19Å; L139-I174 HydrophobicContact CD2-CG2 4.49Å; L139-Y176 HydrophobicContact CD2-CD1 3.73Å; L139-Y176 HydrophobicContact CD2-CD2 3.68Å; L139-Y176 HydrophobicContact CD2-CE1 3.81Å; L139-Y176 HydrophobicContact CD2-CE2 3.72Å; L139-Y176 HydrophobicContact CD2-CG 3.68Å
140	Q	96.3	Very high	94.9	Very high	50 Å²	50	37.5 Å²	37.5	23%	0.234	23%	0.23	C	C	.	.			trans	-143.2	158.5	171.6	-73.3	171	-78.1	0	0	111.7	G142 D143	Q140-G142 PolarHBondContact O-N 2.99Å; Q140-D143 PolarHBondContact N-OD2 3.45Å; Q140-D143 WeakPolarHBondContact O-CB 3.48Å; Q140-D143 PolarHBondContact O-N 3Å
141	S	96.2	Very high	95.1	Very high	7 Å²	7	37.4 Å²	37.4	5%	0.049	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	134	176.6	-43.8	0	0	0	0	110.6	I124 R374 Q377	I124-S141 CarbonylContact O-C 3.59Å; I124-S141 WeakPolarHBondContact O-CA 3.49Å; S141-R374 VanDerWaalsContact O-CZ 3.26Å; S141-R374 PolarHBondContact O-NE 3.47Å; S141-R374 PolarHBondContact O-NH2 3.04Å; S141-Q377 VanDerWaalsContact CB-OE1 3.31Å; S141-Q377 PolarHBondContact OG-OE1 3.4Å
142	G	95.4	Very high	95.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	-11.2	-171.3	0	0	0	0	0	115.6	I124 Q140 R370	I124-G142 PolarHBondContact O-N 2.97Å; Q140-G142 PolarHBondContact O-N 2.99Å; G142-R370 PolarHBondContact O-NE 3.05Å; G142-R370 PolarHBondContact O-NH2 3.02Å
143	D	97	Very high	95.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.227	C	C	.	.			trans	-67.7	145	169.7	-67.8	-21.3	0	0	0	110.6	Y123 I124 Q140 Y176 K178 L179 R374	Y123-D143 CarbonylContact C-O 3.5Å; Y123-D143 WeakPolarHBondContact CA-O 3.31Å; Y123-D143 VanDerWaalsContact CB-O 3.28Å; Y123-D143 WeakPolarHBondContact CB-O 3.38Å; I124-D143 HydrophobicContact CD1-CB 4.41Å; I124-D143 PolarHBondContact N-O 3.47Å; Q140-D143 PolarHBondContact N-OD2 3.45Å; Q140-D143 WeakPolarHBondContact O-CB 3.48Å; Q140-D143 PolarHBondContact O-N 3Å; D143-Y176 HydrophobicContact CB-CD2 4.1Å; D143-K178 WeakPolarHBondContact OD1-CA 3.39Å; D143-K178 IonicContact OD1-NZ 2.66Å; D143-K178 WeakPolarHBondContact OD2-CD 3.43Å; D143-K178 WeakPolarHBondContact OD2-CE 3.12Å; D143-K178 IonicContact OD2-NZ 2.67Å; D143-K178 PolarHBondContact OD2-NZ 3.03Å; D143-L179 PolarHBondContact OD1-N 2.92Å; D143-R374 IonicContact OD1-CZ 3.52Å; D143-R374 IonicContact OD1-NH1 3.48Å; D143-R374 IonicContact OD1-NH2 3.8Å; D143-R374 PolarHBondContact OD1-NH2 3.18Å; D143-R374 IonicContact OD2-NH2 3.78Å
144	E	96.2	Very high	95	Very high	17 Å²	17	46.9 Å²	46.9	8%	0.079	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133	-172.3	155.7	178.5	175.4	0	0	112.6	C121 L122 L146 Y176 N177 R370	C121-E144 HydrophobicContact CB-CG 4.15Å; C121-E144 WeakPolarHBondContact CB-OE1 3.41Å; L122-E144 CarbonylContact O-C 3.5Å; L122-E144 VanDerWaalsContact O-CA 3.31Å; L122-E144 WeakPolarHBondContact O-CA 3.36Å; E144-L146 HydrophobicContact CG-CD2 4.22Å; E144-Y176 CarbonylContact O-C 3.14Å; E144-Y176 WeakPolarHBondContact O-CA 3.19Å; E144-Y176 VanDerWaalsContact O-CB 3.26Å; E144-Y176 WeakPolarHBondContact O-CB 3.34Å; E144-N177 HydrophobicContact CB-CB 4.14Å; E144-N177 HydrophobicContact CG-CB 4.33Å; E144-N177 PolarHBondContact N-O 2.87Å; E144-N177 PolarHBondContact O-N 3.12Å; E144-R370 IonicContact OE2-CZ 3.37Å; E144-R370 IonicContact OE2-NH1 3.2Å; E144-R370 PolarHBondContact OE2-NH1 2.95Å; E144-R370 IonicContact OE2-NH2 3.41Å; E144-R370 PolarHBondContact OE2-NH2 3.37Å
145	L	96.5	Very high	94.8	Very high	5 Å²	5	48 Å²	48	3%	0.026	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	126.7	-177.9	-56.7	176.4	0	0	0	110.1	I112 L122 I124 V153 V161 I174	I112-L145 HydrophobicContact CD1-CD1 3.85Å; I112-L145 HydrophobicContact CG1-CD1 4.06Å; I112-L145 HydrophobicContact CG2-CD1 4.01Å; L122-L145 HydrophobicContact CB-CB 4.31Å; L122-L145 PolarHBondContact O-N 3.09Å; I124-L145 HydrophobicContact CD1-CD2 4.29Å; I124-L145 HydrophobicContact CG1-CD2 4.09Å; I124-L145 HydrophobicContact CG1-CG 4.46Å; L145-V153 HydrophobicContact CB-CG2 4.02Å; L145-V153 WeakPolarHBondContact O-CG2 3.25Å; L145-V161 HydrophobicContact CD1-CG1 4.36Å; L145-I174 HydrophobicContact CD2-CG2 3.71Å
146	L	95.9	Very high	94.8	Very high	49 Å²	49	41.4 Å²	41.4	26%	0.257	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-42.6	-178.6	-59.9	177.1	0	0	0	112.7	T95 E144 S152 V153 H175	T95-L146 HydrophobicContact CG2-CD1 3.74Å; E144-L146 HydrophobicContact CG-CD2 4.22Å; L146-S152 WeakPolarHBondContact O-CA 3.45Å; L146-S152 PolarHBondContact O-OG 3.16Å; L146-S152 VanDerWaalsContact O-OG 3.06Å; L146-V153 PolarHBondContact O-N 3.2Å; L146-H175 HydrophobicContact CB-CB 4.45Å; L146-H175 WeakPolarHBondContact CB-O 3.28Å; L146-H175 PolarHBondContact N-O 2.83Å
147	A	95.8	Very high	94.9	Very high	12 Å²	12	40.2 Å²	40.2	10%	0.099	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	151	178.3	0	0	0	0	0	112.1	V151 H175	A147-V151 CarbonylContact C-O 3.56Å; A147-V151 WeakPolarHBondContact CA-O 3.48Å; A147-V151 WeakPolarHBondContact CB-O 3.37Å; A147-H175 HydrophobicContact CB-CB 4.06Å; A147-H175 PolarHBondContact N-O 3.37Å; A147-H175 PolarHBondContact O-N 3.14Å
148	V	95.4	Very high	94.8	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.03	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.7	172	174.7	0	0	0	0	107.5	S150 V151 V153 V161 I165 V172 V173	V148-S150 VanDerWaalsContact C-N 3.26Å; V148-S150 PolarHBondContact O-N 3.22Å; V148-V151 PolarHBondContact N-O 3.08Å; V148-V151 WeakPolarHBondContact O-CB 3.09Å; V148-V151 PolarHBondContact O-N 3.39Å; V148-V153 HydrophobicContact CB-CG1 4.43Å; V148-V153 HydrophobicContact CG2-CG1 3.9Å; V148-V161 HydrophobicContact CG2-CG1 4.39Å; V148-I165 HydrophobicContact CG1-CG1 3.96Å; V148-I165 HydrophobicContact CG2-CD1 4.36Å; V148-I165 HydrophobicContact CG2-CG1 4.07Å; V148-V172 HydrophobicContact CG1-CG1 3.75Å; V148-V173 CarbonylContact C-O 3.52Å; V148-V173 WeakPolarHBondContact CA-O 3.26Å
149	N	93.8	Very high	94.7	Very high	60 Å²	60	44.7 Å²	44.7	32%	0.321	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	48.1	-174.4	-67.8	-5.5	0	0	0	112.5	V151 A168 V173	N149-V151 PolarHBondContact O-N 3.03Å; N149-A168 WeakPolarHBondContact ND2-CB 3.21Å; N149-V173 PolarHBondContact N-O 3.14Å; N149-V173 PolarHBondContact OD1-N 3.19Å
150	S	90.5	Very high	94.6	Very high	82 Å²	82	49 Å²	49	57%	0.573	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	2.5	-174	-51.7	0	0	0	0	116.6	V148	V148-S150 VanDerWaalsContact C-N 3.26Å; V148-S150 PolarHBondContact O-N 3.22Å
151	V	94.6	Very high	94.5	Very high	78 Å²	78	46.6 Å²	46.6	47%	0.473	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	119.1	172.4	-174.2	0	0	0	0	109.3	A147 V148 N149 M164	A147-V151 CarbonylContact C-O 3.56Å; A147-V151 WeakPolarHBondContact CA-O 3.48Å; A147-V151 WeakPolarHBondContact CB-O 3.37Å; V148-V151 PolarHBondContact N-O 3.08Å; V148-V151 WeakPolarHBondContact O-CB 3.09Å; V148-V151 PolarHBondContact O-N 3.39Å; N149-V151 PolarHBondContact O-N 3.03Å; V151-M164 HydrophobicContact CG1-SD 4.48Å
152	S	94.9	Very high	94.4	Very high	67 Å²	67	48 Å²	48	47%	0.469	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	144.9	179.5	-171.9	0	0	0	0	112.5	L146 K154 K156	L146-S152 WeakPolarHBondContact O-CA 3.45Å; L146-S152 PolarHBondContact O-OG 3.16Å; L146-S152 VanDerWaalsContact O-OG 3.06Å; S152-K154 PolarHBondContact OG-N 3.04Å; S152-K156 PolarHBondContact O-NZ 2.84Å
153	V	94.9	Very high	94.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.29	C	S	.	.			trans	-99.2	-5.3	175.8	-52.4	0	0	0	0	113.7	L122 L145 L146 V148 G155 K156 V161 M164	L122-V153 HydrophobicContact CD1-CB 3.86Å; L122-V153 HydrophobicContact CD1-CG2 3.65Å; L122-V153 VanDerWaalsContact CD1-O 3.23Å; L122-V153 WeakPolarHBondContact CD1-O 3.22Å; L145-V153 HydrophobicContact CB-CG2 4.02Å; L145-V153 WeakPolarHBondContact O-CG2 3.25Å; L146-V153 PolarHBondContact O-N 3.2Å; V148-V153 HydrophobicContact CB-CG1 4.43Å; V148-V153 HydrophobicContact CG2-CG1 3.9Å; V153-G155 PolarHBondContact O-N 3.22Å; V153-K156 WeakPolarHBondContact O-CB 3.35Å; V153-K156 PolarHBondContact O-N 3.48Å; V153-K156 VanDerWaalsContact O-N 3.11Å; V153-V161 HydrophobicContact CB-CG2 3.84Å; V153-V161 HydrophobicContact CG1-CG1 4.12Å; V153-V161 HydrophobicContact CG1-CG2 4.01Å; V153-M164 HydrophobicContact CG1-CE 3.91Å
154	K	90.9	Very high	94	Very high	160 Å²	160	53.5 Å²	53.5	70%	0.696	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	132.8	-179.1	-172.9	175.4	-178.5	178	0	111	S152 K156	S152-K154 PolarHBondContact OG-N 3.04Å; K154-K156 VanDerWaalsContact C-N 3.28Å; K154-K156 PolarHBondContact O-N 3.27Å
155	G	91.3	Very high	93.8	Very high	60 Å²	60	53.3 Å²	53.3	62%	0.619	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	2.5	-179.1	0	0	0	0	0	115.6	A116 V153	A116-G155 VanDerWaalsContact CB-O 3.32Å; A116-G155 WeakPolarHBondContact CB-O 3.08Å; V153-G155 PolarHBondContact O-N 3.22Å
156	K	95.1	Very high	93.5	Very high	51 Å²	51	57.6 Å²	57.6	22%	0.222	32%	0.321	C	S	.	.			trans	-92.8	158.9	173.9	-64.4	177.2	-176.2	158.1	0	111.9	G115 A116 S152 V153 K154 E160 V161 M164	G115-K156 WeakPolarHBondContact CA-O 3.39Å; A116-K156 PolarHBondContact N-O 2.77Å; S152-K156 PolarHBondContact O-NZ 2.84Å; V153-K156 WeakPolarHBondContact O-CB 3.35Å; V153-K156 PolarHBondContact O-N 3.48Å; V153-K156 VanDerWaalsContact O-N 3.11Å; K154-K156 VanDerWaalsContact C-N 3.28Å; K154-K156 PolarHBondContact O-N 3.27Å; K156-E160 HydrophobicContact CB-CB 4.31Å; K156-V161 HydrophobicContact CB-CG2 4.2Å; K156-M164 HydrophobicContact CD-CE 3.49Å; K156-M164 VanDerWaalsContact CD-CE 3.49Å; K156-M164 HydrophobicContact CD-SD 4.06Å; K156-M164 PolarHBondContact NZ-SD 2.83Å
157	T	95.2	Very high	93.2	Very high	47 Å²	47	61 Å²	61	29%	0.288	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-77.2	154.7	170.7	66.2	0	0	0	0	111.1	V159 E160 V161	T157-V159 PolarHBondContact O-N 3.1Å; T157-V159 VanDerWaalsContact O-N 3.17Å; T157-E160 WeakPolarHBondContact CB-OE2 3.48Å; T157-E160 WeakPolarHBondContact CG2-OE2 3.41Å; T157-E160 PolarHBondContact N-OE2 2.8Å; T157-E160 PolarHBondContact O-N 3.05Å; T157-E160 VanDerWaalsContact O-N 3.16Å; T157-E160 VanDerWaalsContact OG1-CD 3.31Å; T157-E160 VanDerWaalsContact OG1-CG 3.29Å; T157-E160 WeakPolarHBondContact OG1-CG 3.43Å; T157-E160 PolarHBondContact OG1-N 3.45Å; T157-E160 VanDerWaalsContact OG1-N 3.16Å; T157-E160 PolarHBondContact OG1-OE2 2.95Å; T157-V161 WeakPolarHBondContact O-CG2 3.39Å; T157-V161 PolarHBondContact O-N 2.88Å
158	K	92.9	Very high	92.8	Very high	117 Å²	117	61.2 Å²	61.2	51%	0.509	35%	0.346	S	S	.	.	H	α-helix	trans	-56	-30.5	172.7	61.3	-174.8	178.4	-177.7	0	113.5	I112 L122 V161 A162	I112-K158 HydrophobicContact CB-CB 4.5Å; I112-K158 HydrophobicContact CG2-CB 4.12Å; I112-K158 WeakPolarHBondContact O-CD 3.33Å; L122-K158 HydrophobicContact CD2-CB 4.07Å; K158-V161 PolarHBondContact O-N 3.05Å; K158-A162 PolarHBondContact O-N 3.2Å
159	V	94	Very high	92.4	Very high	69 Å²	69	66 Å²	66	42%	0.418	38%	0.375	S	S	.	.	H	α-helix	trans	-70	-42.5	177.9	175.9	0	0	0	0	111.8	T157 V161 A162 K163	T157-V159 PolarHBondContact O-N 3.1Å; T157-V159 VanDerWaalsContact O-N 3.17Å; V159-V161 VanDerWaalsContact C-N 3.32Å; V159-V161 PolarHBondContact O-N 2.95Å; V159-A162 PolarHBondContact O-N 3.12Å; V159-K163 HydrophobicContact CG1-CD 4.43Å; V159-K163 WeakPolarHBondContact O-CG 3.43Å; V159-K163 PolarHBondContact O-N 2.75Å
160	E	94.9	Very high	92.1	Very high	93 Å²	93	69.2 Å²	69.2	44%	0.435	39%	0.393	S	S	.	.	H	α-helix	trans	-66.2	-35.5	175.4	-70.4	159.9	129.6	0	0	112	K156 T157 K163 M164	K156-E160 HydrophobicContact CB-CB 4.31Å; T157-E160 WeakPolarHBondContact CB-OE2 3.48Å; T157-E160 WeakPolarHBondContact CG2-OE2 3.41Å; T157-E160 PolarHBondContact N-OE2 2.8Å; T157-E160 PolarHBondContact O-N 3.05Å; T157-E160 VanDerWaalsContact O-N 3.16Å; T157-E160 VanDerWaalsContact OG1-CD 3.31Å; T157-E160 VanDerWaalsContact OG1-CG 3.29Å; T157-E160 WeakPolarHBondContact OG1-CG 3.43Å; T157-E160 PolarHBondContact OG1-N 3.45Å; T157-E160 VanDerWaalsContact OG1-N 3.16Å; T157-E160 PolarHBondContact OG1-OE2 2.95Å; E160-K163 PolarHBondContact O-N 3.09Å; E160-M164 WeakPolarHBondContact O-CG 3.38Å; E160-M164 PolarHBondContact O-N 3.36Å
161	V	94	Very high	92.2	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-69.1	-42.8	176.7	-177.5	0	0	0	0	111.6	I112 L122 L145 V148 V153 K156 T157 K158 V159 K163 M164 I165	I112-V161 HydrophobicContact CD1-CB 4.35Å; I112-V161 HydrophobicContact CD1-CG1 3.75Å; L122-V161 HydrophobicContact CD1-CG2 3.87Å; L122-V161 HydrophobicContact CD2-CG2 4Å; L145-V161 HydrophobicContact CD1-CG1 4.36Å; V148-V161 HydrophobicContact CG2-CG1 4.39Å; V153-V161 HydrophobicContact CB-CG2 3.84Å; V153-V161 HydrophobicContact CG1-CG1 4.12Å; V153-V161 HydrophobicContact CG1-CG2 4.01Å; K156-V161 HydrophobicContact CB-CG2 4.2Å; T157-V161 WeakPolarHBondContact O-CG2 3.39Å; T157-V161 PolarHBondContact O-N 2.88Å; K158-V161 PolarHBondContact O-N 3.05Å; V159-V161 VanDerWaalsContact C-N 3.32Å; V159-V161 PolarHBondContact O-N 2.95Å; V161-K163 VanDerWaalsContact C-N 3.32Å; V161-K163 PolarHBondContact O-N 3.47Å; V161-M164 HydrophobicContact CB-CE 4.23Å; V161-M164 HydrophobicContact CG1-CE 4.49Å; V161-M164 HydrophobicContact CG2-CE 3.85Å; V161-M164 PolarHBondContact O-N 2.79Å; V161-I165 HydrophobicContact CG1-CD1 4.08Å; V161-I165 WeakPolarHBondContact O-CG1 3.36Å; V161-I165 PolarHBondContact O-N 2.76Å
162	A	92.6	Very high	92.2	Very high	37 Å²	37	66.4 Å²	66.4	31%	0.306	37%	0.365	S	S	.	.	H	α-helix	trans	-56.8	-46.1	171.5	0	0	0	0	0	111.4	K158 V159 I165 Q166	K158-A162 PolarHBondContact O-N 3.2Å; V159-A162 PolarHBondContact O-N 3.12Å; A162-I165 PolarHBondContact O-N 3.04Å; A162-Q166 WeakPolarHBondContact O-CB 3.44Å; A162-Q166 VanDerWaalsContact O-CG 3.3Å; A162-Q166 WeakPolarHBondContact O-CG 3.48Å; A162-Q166 PolarHBondContact O-N 3.28Å
163	K	92.5	Very high	92.3	Very high	64 Å²	64	65.4 Å²	65.4	28%	0.278	36%	0.356	S	S	.	.	H	α-helix	trans	-60.9	-44.2	175.4	-70.4	176.8	-173	-165.9	0	112.5	L24 V159 E160 V161 I165 Q166 T167	L24-K163 HydrophobicContact CD1-CD 3.8Å; L24-K163 HydrophobicContact CD1-CG 4.33Å; V159-K163 HydrophobicContact CG1-CD 4.43Å; V159-K163 WeakPolarHBondContact O-CG 3.43Å; V159-K163 PolarHBondContact O-N 2.75Å; E160-K163 PolarHBondContact O-N 3.09Å; V161-K163 VanDerWaalsContact C-N 3.32Å; V161-K163 PolarHBondContact O-N 3.47Å; K163-I165 VanDerWaalsContact C-N 3.3Å; K163-I165 PolarHBondContact O-N 3.39Å; K163-Q166 PolarHBondContact O-N 3Å; K163-T167 WeakPolarHBondContact O-CB 3.26Å; K163-T167 PolarHBondContact O-N 2.95Å; K163-T167 PolarHBondContact O-OG1 2.79Å
164	M	91.9	Very high	92.3	Very high	50 Å²	50	65.4 Å²	65.4	25%	0.246	36%	0.356	C	S	.	.	H	α-helix	trans	-60.2	-38.2	176.5	-74.6	-174	-60.1	0	0	112.7	V151 V153 K156 E160 V161 A168	V151-M164 HydrophobicContact CG1-SD 4.48Å; V153-M164 HydrophobicContact CG1-CE 3.91Å; K156-M164 HydrophobicContact CD-CE 3.49Å; K156-M164 VanDerWaalsContact CD-CE 3.49Å; K156-M164 HydrophobicContact CD-SD 4.06Å; K156-M164 PolarHBondContact NZ-SD 2.83Å; E160-M164 WeakPolarHBondContact O-CG 3.38Å; E160-M164 PolarHBondContact O-N 3.36Å; V161-M164 HydrophobicContact CB-CE 4.23Å; V161-M164 HydrophobicContact CG1-CE 4.49Å; V161-M164 HydrophobicContact CG2-CE 3.85Å; V161-M164 PolarHBondContact O-N 2.79Å; M164-A168 PolarHBondContact O-N 2.77Å; M164-A168 VanDerWaalsContact O-N 3.14Å
165	I	92.3	Very high	92.6	Very high	13 Å²	13	60.4 Å²	60.4	7%	0.067	34%	0.335	C	S	.	.	H	α-helix	trans	-69.8	-42.1	176.1	-67.1	166.4	0	0	0	110.7	K102 I108 I110 I112 V148 V161 A162 K163 A168 V172	K102-I165 VanDerWaalsContact CE-O 3.23Å; K102-I165 WeakPolarHBondContact CE-O 3.48Å; K102-I165 PolarHBondContact NZ-O 2.81Å; I108-I165 HydrophobicContact CD1-CD1 4.37Å; I108-I165 HydrophobicContact CD1-CG2 3.68Å; I108-I165 HydrophobicContact CG1-CG2 3.95Å; I110-I165 HydrophobicContact CD1-CD1 4.46Å; I112-I165 HydrophobicContact CD1-CD1 3.85Å; V148-I165 HydrophobicContact CG1-CG1 3.96Å; V148-I165 HydrophobicContact CG2-CD1 4.36Å; V148-I165 HydrophobicContact CG2-CG1 4.07Å; V161-I165 HydrophobicContact CG1-CD1 4.08Å; V161-I165 WeakPolarHBondContact O-CG1 3.36Å; V161-I165 PolarHBondContact O-N 2.76Å; A162-I165 PolarHBondContact O-N 3.04Å; K163-I165 VanDerWaalsContact C-N 3.3Å; K163-I165 PolarHBondContact O-N 3.39Å; I165-A168 WeakPolarHBondContact O-CB 3.46Å; I165-A168 PolarHBondContact O-N 3.37Å; I165-V172 HydrophobicContact CG1-CG1 4.4Å; I165-V172 HydrophobicContact CG2-CG1 4.5Å; I165-V172 HydrophobicContact CG2-CG2 4.42Å
166	Q	89.9	Confident	92.9	Very high	95 Å²	95	57.8 Å²	57.8	44%	0.444	31%	0.307	S	S	.	.	H	α-helix	trans	-65.3	-41.3	177.3	-72.6	166.8	-21	0	0	112.6	K102 N106 A162 K163 A168	K102-Q166 PolarHBondContact NZ-O 2.85Å; K102-Q166 VanDerWaalsContact NZ-O 3.16Å; N106-Q166 PolarHBondContact ND2-O 2.95Å; A162-Q166 WeakPolarHBondContact O-CB 3.44Å; A162-Q166 VanDerWaalsContact O-CG 3.3Å; A162-Q166 WeakPolarHBondContact O-CG 3.48Å; A162-Q166 PolarHBondContact O-N 3.28Å; K163-Q166 PolarHBondContact O-N 3Å; Q166-A168 VanDerWaalsContact C-N 3.34Å
167	T	90.4	Very high	92.9	Very high	122 Å²	122	56 Å²	56	75%	0.748	30%	0.299	S	S	*	.	H	α-helix	trans	-77.3	-13.9	179	-56.2	0	0	0	0	113.8	K163	K163-T167 WeakPolarHBondContact O-CB 3.26Å; K163-T167 PolarHBondContact O-N 2.95Å; K163-T167 PolarHBondContact O-OG1 2.79Å
168	A	87.7	Confident	92.9	Very high	16 Å²	16	54.6 Å²	54.6	13%	0.132	29%	0.289	C	S	.	.	S	Bend	trans	-60.7	160.8	171.4	0	0	0	0	0	112.2	K102 N149 M164 I165 Q166 V172	K102-A168 PolarHBondContact NZ-O 3.49Å; N149-A168 WeakPolarHBondContact ND2-CB 3.21Å; M164-A168 PolarHBondContact O-N 2.77Å; M164-A168 VanDerWaalsContact O-N 3.14Å; I165-A168 WeakPolarHBondContact O-CB 3.46Å; I165-A168 PolarHBondContact O-N 3.37Å; Q166-A168 VanDerWaalsContact C-N 3.34Å; A168-V172 HydrophobicContact CB-CG2 3.95Å
169	T	85.9	Confident	92.9	Very high	104 Å²	104	49 Å²	49	64%	0.638	27%	0.265	S	S	*	.			trans	-63.5	-174.5	169.3	41.2	0	0	0	0	112.7	K102 E171	K102-T169 WeakPolarHBondContact CD-O 3.11Å; K102-T169 WeakPolarHBondContact CE-O 3.45Å; K102-T169 PolarHBondContact NZ-O 3.21Å; T169-E171 PolarHBondContact O-N 3.11Å; T169-E171 PolarHBondContact OG1-O 3.48Å
170	D	88.7	Confident	92.8	Very high	128 Å²	128	49.6 Å²	49.6	68%	0.684	26%	0.263	S	S	*	.	S	Bend	trans	-55.1	-21.2	179.7	-49.6	-46.7	0	0	0	114.1	T101 K102	T101-D170 CarbonylContact C-O 3.54Å; T101-D170 WeakPolarHBondContact CA-O 3.11Å; K102-D170 PolarHBondContact N-O 3.37Å
171	E	92.7	Very high	92.3	Very high	101 Å²	101	46.8 Å²	46.8	47%	0.472	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	143.4	173.4	-61.4	-169.7	146.5	0	0	112.3	V99 T101 T169	V99-E171 HydrophobicContact CG1-CB 4.08Å; V99-E171 HydrophobicContact CG1-CG 4.5Å; T101-E171 HydrophobicContact CG2-CG 4.17Å; T169-E171 PolarHBondContact O-N 3.11Å; T169-E171 PolarHBondContact OG1-O 3.48Å
172	V	94.2	Very high	91.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	118.2	177.6	-168.7	0	0	0	0	109.7	I100 K102 I108 V148 I165 A168 I174	I100-V172 PolarHBondContact N-O 3.1Å; I100-V172 PolarHBondContact O-N 3.39Å; K102-V172 HydrophobicContact CD-CG2 4.4Å; K102-V172 VanDerWaalsContact CE-CG2 3.43Å; K102-V172 HydrophobicContact CG-CG2 4.16Å; I108-V172 HydrophobicContact CG2-CG2 4.16Å; V148-V172 HydrophobicContact CG1-CG1 3.75Å; I165-V172 HydrophobicContact CG1-CG1 4.4Å; I165-V172 HydrophobicContact CG2-CG1 4.5Å; I165-V172 HydrophobicContact CG2-CG2 4.42Å; A168-V172 HydrophobicContact CB-CG2 3.95Å; V172-I174 HydrophobicContact CG1-CD1 4.47Å; V172-I174 HydrophobicContact CG1-CG1 3.99Å
173	V	95.5	Very high	91.2	Very high	46 Å²	46	52.1 Å²	52.1	28%	0.279	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	113.3	172.7	-170.5	0	0	0	0	108.8	V98 V99 V148 N149	V98-V173 CarbonylContact O-C 3.55Å; V98-V173 WeakPolarHBondContact O-CA 3.24Å; V99-V173 HydrophobicContact CG1-CG2 4.46Å; V99-V173 HydrophobicContact CG2-CG2 4.2Å; V148-V173 CarbonylContact C-O 3.52Å; V148-V173 WeakPolarHBondContact CA-O 3.26Å; N149-V173 PolarHBondContact N-O 3.14Å; N149-V173 PolarHBondContact OD1-N 3.19Å
174	I	96.3	Very high	90.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	119.2	177.9	-62.2	-178.2	0	0	0	108.8	A97 V98 I100 I108 I110 L139 L145 V172	A97-I174 WeakPolarHBondContact CA-O 3.46Å; V98-I174 HydrophobicContact CG1-CB 3.95Å; V98-I174 PolarHBondContact N-O 2.57Å; V98-I174 PolarHBondContact O-N 3.05Å; I100-I174 HydrophobicContact CD1-CD1 4.35Å; I108-I174 HydrophobicContact CD1-CD1 3.68Å; I110-I174 HydrophobicContact CD1-CD1 4.16Å; L139-I174 HydrophobicContact CD1-CD1 4.19Å; L139-I174 HydrophobicContact CD2-CG2 4.49Å; L145-I174 HydrophobicContact CD2-CG2 3.71Å; V172-I174 HydrophobicContact CG1-CD1 4.47Å; V172-I174 HydrophobicContact CG1-CG1 3.99Å
175	H	97.2	Very high	90.3	Very high	55 Å²	55	55 Å²	55	26%	0.255	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.7	168	-56.7	-96.4	0	0	0	108.5	L146 A147	L146-H175 HydrophobicContact CB-CB 4.45Å; L146-H175 WeakPolarHBondContact CB-O 3.28Å; L146-H175 PolarHBondContact N-O 2.83Å; A147-H175 HydrophobicContact CB-CB 4.06Å; A147-H175 PolarHBondContact N-O 3.37Å; A147-H175 PolarHBondContact O-N 3.14Å
176	Y	97	Very high	89.9	Confident	5 Å²	5	54.4 Å²	54.4	2%	0.02	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	150.5	-169.4	69.1	-73.5	0	0	0	112.7	T95 N96 V98 S138 L139 D143 E144 K178	T95-Y176 WeakPolarHBondContact CA-O 3.1Å; N96-Y176 HydrophobicContact CB-CD1 4.04Å; N96-Y176 HydrophobicContact CB-CE1 3.43Å; N96-Y176 VanDerWaalsContact CB-CE1 3.43Å; N96-Y176 HydrophobicContact CB-CE2 4.06Å; N96-Y176 VanDerWaalsContact CB-CZ 3.45Å; N96-Y176 PolarHBondContact N-O 3.22Å; N96-Y176 PolarHBondContact ND2-OH 2.85Å; N96-Y176 PolarHBondContact O-N 3.33Å; V98-Y176 HydrophobicContact CB-CE1 4.07Å; V98-Y176 HydrophobicContact CG1-CD1 4.13Å; V98-Y176 HydrophobicContact CG1-CE1 3.8Å; S138-Y176 WeakPolarHBondContact CB-OH 3.43Å; S138-Y176 PolarHBondContact O-OH 2.87Å; L139-Y176 HydrophobicContact CD2-CD1 3.73Å; L139-Y176 HydrophobicContact CD2-CD2 3.68Å; L139-Y176 HydrophobicContact CD2-CE1 3.81Å; L139-Y176 HydrophobicContact CD2-CE2 3.72Å; L139-Y176 HydrophobicContact CD2-CG 3.68Å; D143-Y176 HydrophobicContact CB-CD2 4.1Å; E144-Y176 CarbonylContact O-C 3.14Å; E144-Y176 WeakPolarHBondContact O-CA 3.19Å; E144-Y176 VanDerWaalsContact O-CB 3.26Å; E144-Y176 WeakPolarHBondContact O-CB 3.34Å; Y176-K178 HydrophobicContact CE2-CB 4.27Å; Y176-K178 HydrophobicContact CE2-CD 3.74Å
177	N	95.2	Very high	89.9	Confident	13 Å²	13	54.5 Å²	54.5	7%	0.07	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	110.9	166.1	-88.5	-16.5	0	0	0	108.6	V93 S94 T95 E144 L179	V93-N177 HydrophobicContact CB-CB 4.09Å; V93-N177 HydrophobicContact CG1-CB 4.3Å; S94-N177 WeakPolarHBondContact O-CA 3.19Å; T95-N177 PolarHBondContact OG1-OD1 2.91Å; E144-N177 HydrophobicContact CB-CB 4.14Å; E144-N177 HydrophobicContact CG-CB 4.33Å; E144-N177 PolarHBondContact N-O 2.87Å; E144-N177 PolarHBondContact O-N 3.12Å; N177-L179 PolarHBondContact O-N 3.32Å
178	K	95.6	Very high	90	Very high	18 Å²	18	51.5 Å²	51.5	8%	0.078	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	123.7	169.7	-166.6	76.4	-166.6	166.8	0	108.7	V93 S94 S138 D143 Y176	V93-K178 VanDerWaalsContact CA-O 3.22Å; V93-K178 WeakPolarHBondContact CA-O 3.39Å; S94-K178 PolarHBondContact N-O 2.95Å; S94-K178 PolarHBondContact O-N 2.79Å; S94-K178 WeakPolarHBondContact OG-CB 3.44Å; S138-K178 PolarHBondContact O-NZ 3.34Å; D143-K178 WeakPolarHBondContact OD1-CA 3.39Å; D143-K178 IonicContact OD1-NZ 2.66Å; D143-K178 WeakPolarHBondContact OD2-CD 3.43Å; D143-K178 WeakPolarHBondContact OD2-CE 3.12Å; D143-K178 IonicContact OD2-NZ 2.67Å; D143-K178 PolarHBondContact OD2-NZ 3.03Å; Y176-K178 HydrophobicContact CE2-CB 4.27Å; Y176-K178 HydrophobicContact CE2-CD 3.74Å
179	L	93.3	Very high	90.3	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	120.6	174.7	-172.9	65.4	0	0	0	109.6	L86 M91 V93 D143 N177 R370 R374	L86-L179 HydrophobicContact CD2-CD1 4.46Å; M91-L179 HydrophobicContact CB-CD1 4.3Å; M91-L179 HydrophobicContact SD-CD1 3.86Å; M91-L179 HydrophobicContact SD-CD2 4.07Å; M91-L179 HydrophobicContact SD-CG 4.18Å; V93-L179 HydrophobicContact CG1-CD1 4.1Å; D143-L179 PolarHBondContact OD1-N 2.92Å; N177-L179 PolarHBondContact O-N 3.32Å; L179-R370 HydrophobicContact CD2-CB 3.86Å; L179-R374 PolarHBondContact O-NH1 3.34Å
180	H	91.9	Very high	90.7	Very high	81 Å²	81	54 Å²	54	38%	0.375	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	117.7	173.6	-57	-77.2	0	0	0	108.8	T92 S94	T92-H180 PolarHBondContact N-O 2.58Å; T92-H180 PolarHBondContact O-N 3.22Å; S94-H180 PolarHBondContact OG-NE2 2.78Å
181	A	84.1	Confident	91	Very high	33 Å²	33	48.2 Å²	48.2	27%	0.273	25%	0.25	S	S	.	.			trans	-140.4	155.5	-178.2	0	0	0	0	0	110	M91 P183 L371	M91-A181 HydrophobicContact CG-CB 3.58Å; M91-A181 HydrophobicContact SD-CB 3.61Å; A181-P183 WeakPolarHBondContact O-CD 3.5Å; A181-L371 HydrophobicContact CB-CD1 3.67Å
182	D	84.5	Confident	91.1	Very high	77 Å²	77	47.9 Å²	47.9	41%	0.412	25%	0.251	S	S	.	.			trans	-81.8	122.4	176.2	176	2.2	0	0	0	109.9	E184 Q185	D182-E184 PolarHBondContact O-N 3.44Å; D182-E184 WeakPolarHBondContact OD1-CB 3.22Å; D182-E184 WeakPolarHBondContact OD1-CG 3.18Å; D182-E184 PolarHBondContact OD1-N 3.26Å; D182-Q185 HydrophobicContact CB-CG 3.96Å; D182-Q185 VanDerWaalsContact O-CB 3.28Å; D182-Q185 WeakPolarHBondContact O-CB 3.49Å; D182-Q185 PolarHBondContact O-N 2.85Å
183	P	79.1	Confident	91.2	Very high	73 Å²	73	52.4 Å²	52.4	47%	0.474	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-17.7	175.5	-26.1	36.1	0	0	0	115.3	A181	A181-P183 WeakPolarHBondContact O-CD 3.5Å
184	E	83.9	Confident	91.1	Very high	113 Å²	113	51.2 Å²	51.2	53%	0.528	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-32	170.8	-57.9	-54.5	135.4	0	0	112.5	D182 G186 K187	D182-E184 PolarHBondContact O-N 3.44Å; D182-E184 WeakPolarHBondContact OD1-CB 3.22Å; D182-E184 WeakPolarHBondContact OD1-CG 3.18Å; D182-E184 PolarHBondContact OD1-N 3.26Å; E184-G186 PolarHBondContact O-N 3.4Å; E184-K187 WeakPolarHBondContact O-CB 3.41Å; E184-K187 PolarHBondContact O-N 3.26Å; E184-K187 IonicContact OE1-NZ 2.95Å; E184-K187 PolarHBondContact OE1-NZ 2.75Å; E184-K187 WeakPolarHBondContact OE2-CD 3.5Å; E184-K187 VanDerWaalsContact OE2-CE 3.3Å; E184-K187 WeakPolarHBondContact OE2-CE 3.36Å; E184-K187 IonicContact OE2-NZ 2.62Å; E184-K187 PolarHBondContact OE2-NZ 3.42Å
185	Q	81.8	Confident	90.9	Very high	62 Å²	62	53.2 Å²	53.2	29%	0.29	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-32.5	178.8	-63.8	164.3	-10.4	0	0	112.1	L89 D182 K187 L371	L89-Q185 VanDerWaalsContact O-CD 3.22Å; L89-Q185 PolarHBondContact O-NE2 3.23Å; L89-Q185 PolarHBondContact O-OE1 3.03Å; D182-Q185 HydrophobicContact CB-CG 3.96Å; D182-Q185 VanDerWaalsContact O-CB 3.28Å; D182-Q185 WeakPolarHBondContact O-CB 3.49Å; D182-Q185 PolarHBondContact O-N 2.85Å; Q185-K187 VanDerWaalsContact C-N 3.25Å; Q185-K187 PolarHBondContact O-N 2.84Å; Q185-L371 HydrophobicContact CB-CD2 3.88Å
186	G	83.7	Confident	90.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-19.6	174.7	0	0	0	0	0	114.1	E184 T188 I191	E184-G186 PolarHBondContact O-N 3.4Å; G186-T188 PolarHBondContact O-N 2.82Å; G186-I191 WeakPolarHBondContact O-CG1 3.23Å
187	K	88.5	Confident	90.3	Very high	96 Å²	96	57.6 Å²	57.6	42%	0.417	30%	0.296	S	S	.	.			trans	-86	50.4	-174.9	-55.5	-178.8	-160.1	168.1	0	112.5	E184 Q185	E184-K187 WeakPolarHBondContact O-CB 3.41Å; E184-K187 PolarHBondContact O-N 3.26Å; E184-K187 IonicContact OE1-NZ 2.95Å; E184-K187 PolarHBondContact OE1-NZ 2.75Å; E184-K187 WeakPolarHBondContact OE2-CD 3.5Å; E184-K187 VanDerWaalsContact OE2-CE 3.3Å; E184-K187 WeakPolarHBondContact OE2-CE 3.36Å; E184-K187 IonicContact OE2-NZ 2.62Å; E184-K187 PolarHBondContact OE2-NZ 3.42Å; Q185-K187 VanDerWaalsContact C-N 3.25Å; Q185-K187 PolarHBondContact O-N 2.84Å
188	T	92.6	Very high	90.1	Very high	60 Å²	60	57.7 Å²	57.7	37%	0.368	30%	0.296	S	S	.	.			trans	-60.7	158.6	177.6	70.1	0	0	0	0	111.6	G186 D190 I191 I192	G186-T188 PolarHBondContact O-N 2.82Å; T188-D190 PolarHBondContact O-N 2.94Å; T188-I191 PolarHBondContact O-N 3.33Å; T188-I191 PolarHBondContact OG1-N 2.82Å; T188-I192 WeakPolarHBondContact O-CG1 3.43Å; T188-I192 PolarHBondContact O-N 3.45Å
189	L	94.8	Very high	89.7	Confident	123 Å²	123	62.5 Å²	62.5	64%	0.644	31%	0.314	S	S	*	.	H	α-helix	trans	-55.2	-35	175.4	178.7	60.3	0	0	0	112	I192 L193	L189-I192 PolarHBondContact O-N 3.16Å; L189-L193 HydrophobicContact CD1-CD1 4.31Å; L189-L193 HydrophobicContact CD1-CG 4.24Å; L189-L193 HydrophobicContact CG-CD1 4.03Å; L189-L193 HydrophobicContact CG-CG 4.41Å; L189-L193 WeakPolarHBondContact O-CB 3.38Å; L189-L193 VanDerWaalsContact O-CG 3.27Å; L189-L193 WeakPolarHBondContact O-CG 3.49Å; L189-L193 PolarHBondContact O-N 3.3Å
190	D	94.9	Very high	89.4	Confident	50 Å²	50	66.5 Å²	66.5	27%	0.267	34%	0.335	S	S	.	.	H	α-helix	trans	-61.1	-50	174.1	179	34.5	0	0	0	111.8	T188 I192 L193 K194 K341	T188-D190 PolarHBondContact O-N 2.94Å; D190-I192 VanDerWaalsContact C-N 3.29Å; D190-I192 PolarHBondContact O-N 3.36Å; D190-L193 PolarHBondContact O-N 3.11Å; D190-L193 VanDerWaalsContact O-N 3.11Å; D190-K194 VanDerWaalsContact CG-NZ 3.31Å; D190-K194 WeakPolarHBondContact O-CG 3.19Å; D190-K194 PolarHBondContact O-N 3.34Å; D190-K194 VanDerWaalsContact OD1-CE 3.27Å; D190-K194 WeakPolarHBondContact OD1-CE 3.18Å; D190-K194 IonicContact OD1-NZ 3.84Å; D190-K194 PolarHBondContact OD1-NZ 3.22Å; D190-K194 WeakPolarHBondContact OD2-CE 3.26Å; D190-K194 IonicContact OD2-NZ 3.63Å; D190-K194 PolarHBondContact OD2-NZ 3.03Å; D190-K341 WeakPolarHBondContact OD2-CD 3.39Å; D190-K341 WeakPolarHBondContact OD2-CE 3.43Å; D190-K341 IonicContact OD2-NZ 2.73Å; D190-K341 PolarHBondContact OD2-NZ 2.79Å
191	I	95.1	Very high	89	Confident	6 Å²	6	62.8 Å²	62.8	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-58.9	-39.5	175	-67.7	-62.1	0	0	0	111.8	G186 T188 K194 K195 S337 Y338 K341 I372	G186-I191 WeakPolarHBondContact O-CG1 3.23Å; T188-I191 PolarHBondContact O-N 3.33Å; T188-I191 PolarHBondContact OG1-N 2.82Å; I191-K194 PolarHBondContact O-N 3.01Å; I191-K195 VanDerWaalsContact O-CB 3.3Å; I191-K195 WeakPolarHBondContact O-CB 3.13Å; I191-K195 PolarHBondContact O-N 3.44Å; I191-S337 WeakPolarHBondContact CD1-O 3.17Å; I191-Y338 HydrophobicContact CB-CE1 4.47Å; I191-Y338 HydrophobicContact CD1-CD1 3.62Å; I191-Y338 HydrophobicContact CD1-CE1 3.92Å; I191-Y338 HydrophobicContact CG1-CD1 4.12Å; I191-Y338 HydrophobicContact CG1-CE1 3.89Å; I191-Y338 HydrophobicContact CG2-CD1 4.32Å; I191-Y338 HydrophobicContact CG2-CE1 3.81Å; I191-K341 HydrophobicContact CD1-CB 3.62Å; I191-K341 HydrophobicContact CD1-CG 4.02Å; I191-I372 HydrophobicContact CD1-CD1 4.49Å; I191-I372 HydrophobicContact CG1-CD1 4.43Å
192	I	94.8	Very high	88.9	Confident	94 Å²	94	63.6 Å²	63.6	48%	0.482	32%	0.317	S	S	.	.	H	α-helix	trans	-63.8	-42.7	175.5	-64.5	169.1	0	0	0	111.2	T188 L189 D190 K195 L196	T188-I192 WeakPolarHBondContact O-CG1 3.43Å; T188-I192 PolarHBondContact O-N 3.45Å; L189-I192 PolarHBondContact O-N 3.16Å; D190-I192 VanDerWaalsContact C-N 3.29Å; D190-I192 PolarHBondContact O-N 3.36Å; I192-K195 PolarHBondContact O-N 3.25Å; I192-L196 WeakPolarHBondContact O-CB 3.44Å; I192-L196 PolarHBondContact O-N 2.72Å
193	L	94.9	Very high	88.5	Confident	95 Å²	95	66.4 Å²	66.4	50%	0.497	33%	0.332	S	S	.	.	H	α-helix	trans	-69.5	-39.8	177.4	-71.1	171.1	0	0	0	112.4	L189 D190 L196 K197	L189-L193 HydrophobicContact CD1-CD1 4.31Å; L189-L193 HydrophobicContact CD1-CG 4.24Å; L189-L193 HydrophobicContact CG-CD1 4.03Å; L189-L193 HydrophobicContact CG-CG 4.41Å; L189-L193 WeakPolarHBondContact O-CB 3.38Å; L189-L193 VanDerWaalsContact O-CG 3.27Å; L189-L193 WeakPolarHBondContact O-CG 3.49Å; L189-L193 PolarHBondContact O-N 3.3Å; D190-L193 PolarHBondContact O-N 3.11Å; D190-L193 VanDerWaalsContact O-N 3.11Å; L193-L196 PolarHBondContact O-N 3.11Å; L193-K197 PolarHBondContact O-N 3.38Å
194	K	93.9	Very high	88.6	Confident	20 Å²	20	65 Å²	65	9%	0.087	32%	0.32	C	S	.	.	H	α-helix	trans	-61.1	-44.4	171.7	-66.9	-172.6	-158	-38.9	0	110.8	D190 I191 L196 K197 H198 L340 K341 E344	D190-K194 VanDerWaalsContact CG-NZ 3.31Å; D190-K194 WeakPolarHBondContact O-CG 3.19Å; D190-K194 PolarHBondContact O-N 3.34Å; D190-K194 VanDerWaalsContact OD1-CE 3.27Å; D190-K194 WeakPolarHBondContact OD1-CE 3.18Å; D190-K194 IonicContact OD1-NZ 3.84Å; D190-K194 PolarHBondContact OD1-NZ 3.22Å; D190-K194 WeakPolarHBondContact OD2-CE 3.26Å; D190-K194 IonicContact OD2-NZ 3.63Å; D190-K194 PolarHBondContact OD2-NZ 3.03Å; I191-K194 PolarHBondContact O-N 3.01Å; K194-L196 VanDerWaalsContact C-N 3.34Å; K194-L196 PolarHBondContact O-N 3.3Å; K194-K197 WeakPolarHBondContact O-CB 3.23Å; K194-K197 PolarHBondContact O-N 2.74Å; K194-H198 PolarHBondContact O-CD2 3.23Å; K194-H198 PolarHBondContact O-N 2.79Å; K194-L340 HydrophobicContact CD-CB 4.25Å; K194-L340 HydrophobicContact CD-CD2 4.07Å; K194-L340 HydrophobicContact CD-CG 4.08Å; K194-L340 HydrophobicContact CG-CD2 4.3Å; K194-K341 HydrophobicContact CD-CB 4.34Å; K194-E344 WeakPolarHBondContact CE-OE2 3.4Å; K194-E344 IonicContact NZ-OE1 3.63Å; K194-E344 IonicContact NZ-OE2 3.99Å; K194-E344 PolarHBondContact NZ-OE2 3.37Å
195	K	92.7	Very high	88.4	Confident	42 Å²	42	62.7 Å²	62.7	18%	0.183	32%	0.317	C	S	.	.	H	α-helix	trans	-61.9	-39	174.9	-176.5	174.2	176.7	174.8	0	112.3	I191 I192 H198 R199 D330 F333 T334	I191-K195 VanDerWaalsContact O-CB 3.3Å; I191-K195 WeakPolarHBondContact O-CB 3.13Å; I191-K195 PolarHBondContact O-N 3.44Å; I192-K195 PolarHBondContact O-N 3.25Å; K195-H198 PolarHBondContact O-N 3.13Å; K195-R199 PolarHBondContact O-N 2.92Å; K195-D330 WeakPolarHBondContact CE-O 3.39Å; K195-D330 WeakPolarHBondContact CE-OD1 3.29Å; K195-D330 PolarHBondContact NZ-O 3.09Å; K195-D330 IonicContact NZ-OD1 3.46Å; K195-D330 PolarHBondContact NZ-OD1 2.78Å; K195-D330 VanDerWaalsContact NZ-OD1 3.09Å; K195-D330 IonicContact NZ-OD2 2.71Å; K195-D330 PolarHBondContact NZ-OD2 2.76Å; K195-F333 HydrophobicContact CG-CB 3.94Å; K195-T334 VanDerWaalsContact CE-OG1 3.26Å; K195-T334 WeakPolarHBondContact CE-OG1 3.23Å; K195-T334 PolarHBondContact NZ-OG1 2.95Å
196	L	91.6	Very high	88.3	Confident	87 Å²	87	62.8 Å²	62.8	46%	0.455	32%	0.324	S	S	.	.	H	α-helix	trans	-65	-43.5	172.9	-180	60.2	0	0	0	111.8	I192 L193 K194 H198 R199 I200	I192-L196 WeakPolarHBondContact O-CB 3.44Å; I192-L196 PolarHBondContact O-N 2.72Å; L193-L196 PolarHBondContact O-N 3.11Å; K194-L196 VanDerWaalsContact C-N 3.34Å; K194-L196 PolarHBondContact O-N 3.3Å; L196-H198 PolarHBondContact O-N 2.9Å; L196-R199 PolarHBondContact O-N 2.91Å; L196-I200 HydrophobicContact CD1-CD1 4.04Å; L196-I200 HydrophobicContact CD1-CG1 4.26Å; L196-I200 HydrophobicContact CG-CD1 3.98Å; L196-I200 WeakPolarHBondContact O-CG1 3.39Å; L196-I200 PolarHBondContact O-N 2.72Å
197	K	90	Very high	88.2	Confident	66 Å²	66	68.4 Å²	68.4	29%	0.287	35%	0.354	S	S	.	.	H	α-helix	trans	-54	-52.4	172.3	-179.2	-169.8	172.2	-172.2	0	110.4	L193 K194 R199 I200 V201 L214 S215	L193-K197 PolarHBondContact O-N 3.38Å; K194-K197 WeakPolarHBondContact O-CB 3.23Å; K194-K197 PolarHBondContact O-N 2.74Å; K197-R199 VanDerWaalsContact C-N 3.34Å; K197-R199 PolarHBondContact O-N 3.48Å; K197-I200 PolarHBondContact O-N 2.84Å; K197-V201 HydrophobicContact CG-CG2 4.23Å; K197-V201 VanDerWaalsContact O-CG2 3.29Å; K197-V201 WeakPolarHBondContact O-CG2 3.31Å; K197-V201 PolarHBondContact O-N 2.89Å; K197-L214 HydrophobicContact CG-CD2 4.44Å; K197-S215 PolarHBondContact NZ-O 2.85Å
198	H	89.3	Confident	88	Confident	14 Å²	14	66.6 Å²	66.6	7%	0.065	35%	0.352	C	S	.	.	H	α-helix	trans	-58.4	-44.8	179.4	-66.7	-60.4	0	0	0	112.2	K194 K195 L196 I200 V201 D202 F333	K194-H198 PolarHBondContact O-CD2 3.23Å; K194-H198 PolarHBondContact O-N 2.79Å; K195-H198 PolarHBondContact O-N 3.13Å; L196-H198 PolarHBondContact O-N 2.9Å; H198-I200 VanDerWaalsContact C-N 3.35Å; H198-I200 PolarHBondContact O-N 2.83Å; H198-V201 PolarHBondContact O-N 3.17Å; H198-D202 PolarHBondContact O-N 2.94Å; H198-F333 HydrophobicContact CB-CB 4.18Å; H198-F333 HydrophobicContact CB-CD1 3.76Å; H198-F333 HydrophobicContact CB-CG 4.2Å
199	R	87.5	Confident	87.6	Confident	119 Å²	119	63.8 Å²	63.8	45%	0.449	33%	0.334	S	S	.	.	H	α-helix	trans	-61.8	-38.8	177.8	-173.1	-175.4	-70.5	179.3	-3	112.9	K195 L196 K197 N203 D330 F333	K195-R199 PolarHBondContact O-N 2.92Å; L196-R199 PolarHBondContact O-N 2.91Å; K197-R199 VanDerWaalsContact C-N 3.34Å; K197-R199 PolarHBondContact O-N 3.48Å; R199-N203 PolarHBondContact O-ND2 3.1Å; R199-D330 IonicContact CZ-OD1 2.7Å; R199-D330 IonicContact NH2-OD1 3.4Å; R199-D330 PolarHBondContact NH2-OD1 3.14Å; R199-F333 HydrophobicContact CB-CD2 4.03Å; R199-F333 HydrophobicContact CB-CE2 4.06Å; R199-F333 HydrophobicContact CG-CD2 4.35Å; R199-F333 HydrophobicContact CG-CE2 4.04Å
200	I	86.9	Confident	87	Confident	86 Å²	86	62.8 Å²	62.8	44%	0.441	33%	0.329	S	S	.	.	H	α-helix	trans	-67.5	-49.5	175.9	-68.5	167.5	0	0	0	110	L196 K197 H198 D202 N203 L204	L196-I200 HydrophobicContact CD1-CD1 4.04Å; L196-I200 HydrophobicContact CD1-CG1 4.26Å; L196-I200 HydrophobicContact CG-CD1 3.98Å; L196-I200 WeakPolarHBondContact O-CG1 3.39Å; L196-I200 PolarHBondContact O-N 2.72Å; K197-I200 PolarHBondContact O-N 2.84Å; H198-I200 VanDerWaalsContact C-N 3.35Å; H198-I200 PolarHBondContact O-N 2.83Å; I200-D202 VanDerWaalsContact C-N 3.34Å; I200-D202 PolarHBondContact O-N 2.99Å; I200-N203 PolarHBondContact O-N 3Å; I200-L204 HydrophobicContact CG2-CD1 4.3Å
201	V	84.8	Confident	86.5	Confident	3 Å²	3	66.1 Å²	66.1	2%	0.018	35%	0.352	C	S	.	.	H	α-helix	trans	-66.2	-32.1	-174.4	175.1	0	0	0	0	113.4	K197 H198 N203 L204 A209 L214 R216	K197-V201 HydrophobicContact CG-CG2 4.23Å; K197-V201 VanDerWaalsContact O-CG2 3.29Å; K197-V201 WeakPolarHBondContact O-CG2 3.31Å; K197-V201 PolarHBondContact O-N 2.89Å; H198-V201 PolarHBondContact O-N 3.17Å; V201-N203 PolarHBondContact O-N 3.08Å; V201-L204 PolarHBondContact O-N 3.08Å; V201-L204 VanDerWaalsContact O-N 3.1Å; V201-A209 HydrophobicContact CG1-CB 4.13Å; V201-L214 HydrophobicContact CG2-CB 3.61Å; V201-L214 HydrophobicContact CG2-CD1 4.02Å; V201-L214 HydrophobicContact CG2-CG 4.31Å; V201-R216 HydrophobicContact CG1-CB 3.78Å; V201-R216 HydrophobicContact CG1-CG 3.85Å
202	D	81.3	Confident	86	Confident	50 Å²	50	71 Å²	71	27%	0.267	38%	0.378	S	S	.	.	H	α-helix	trans	-66.6	-23	179.2	-142	34.7	0	0	0	112.6	H198 I200 R216 K332 F333	H198-D202 PolarHBondContact O-N 2.94Å; I200-D202 VanDerWaalsContact C-N 3.34Å; I200-D202 PolarHBondContact O-N 2.99Å; D202-R216 PolarHBondContact O-NH2 3.41Å; D202-R216 IonicContact OD1-CZ 3.2Å; D202-R216 IonicContact OD1-NE 3.67Å; D202-R216 IonicContact OD1-NH2 2.65Å; D202-R216 PolarHBondContact OD1-NH2 3.12Å; D202-K332 IonicContact OD2-NZ 3.47Å; D202-F333 HydrophobicContact CB-CE1 3.67Å; D202-F333 HydrophobicContact CB-CZ 3.71Å; D202-F333 WeakPolarHBondContact OD2-CE1 3.49Å; D202-F333 WeakPolarHBondContact OD2-CZ 3.01Å
203	N	76.6	Confident	85.4	Confident	136 Å²	136	69.3 Å²	69.3	73%	0.727	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	5.7	175.9	-67.4	-88.7	0	0	0	113.4	R199 I200 V201	R199-N203 PolarHBondContact O-ND2 3.1Å; I200-N203 PolarHBondContact O-N 3Å; V201-N203 PolarHBondContact O-N 3.08Å
204	L	79.8	Confident	84.6	Confident	43 Å²	43	67 Å²	67	23%	0.225	37%	0.371	C	S	.	.	S	Bend	trans	-105.7	146.5	177.3	-65.6	178.4	0	0	0	111.3	I200 V201 T208 A209 L212 L214 R216	I200-L204 HydrophobicContact CG2-CD1 4.3Å; V201-L204 PolarHBondContact O-N 3.08Å; V201-L204 VanDerWaalsContact O-N 3.1Å; L204-T208 HydrophobicContact CD2-CG2 4Å; L204-A209 HydrophobicContact CB-CB 4.26Å; L204-A209 HydrophobicContact CD1-CB 4.48Å; L204-L212 HydrophobicContact CD1-CD1 4.09Å; L204-L214 HydrophobicContact CD1-CD1 4.06Å; L204-R216 PolarHBondContact O-NH1 2.81Å
205	S	80.7	Confident	83.6	Confident	64 Å²	64	70 Å²	70	45%	0.448	40%	0.395	S	S	.	.			trans	-61	151.5	163.4	86.8	0	0	0	0	109.9	N207 T208 A209	S205-N207 VanDerWaalsContact C-N 3.29Å; S205-N207 PolarHBondContact O-N 3.39Å; S205-T208 PolarHBondContact O-N 2.66Å; S205-T208 VanDerWaalsContact O-N 3.13Å; S205-T208 WeakPolarHBondContact OG-CB 3.47Å; S205-T208 PolarHBondContact OG-N 2.88Å; S205-T208 VanDerWaalsContact OG-N 3.14Å; S205-T208 PolarHBondContact OG-OG1 3.01Å; S205-A209 PolarHBondContact O-N 3.06Å
206	S	79	Confident	82.5	Confident	65 Å²	65	72.2 Å²	72.2	46%	0.455	40%	0.402	S	S	.	.	H	α-helix	trans	-49.9	-52.2	176	48.8	0	0	0	0	111.4	T208 A209 D210	S206-T208 VanDerWaalsContact C-N 3.27Å; S206-T208 PolarHBondContact O-N 3.47Å; S206-A209 PolarHBondContact O-N 3.37Å; S206-D210 VanDerWaalsContact O-CG 3.32Å; S206-D210 PolarHBondContact O-N 3.15Å
207	N	83	Confident	81.2	Confident	117 Å²	117	69.4 Å²	69.4	63%	0.626	39%	0.391	S	S	*	.	H	α-helix	trans	-60.6	-36.8	-177.1	-56.9	-3.1	0	0	0	111.8	S205 T211	S205-N207 VanDerWaalsContact C-N 3.29Å; S205-N207 PolarHBondContact O-N 3.39Å; N207-T211 WeakPolarHBondContact O-CB 3.49Å; N207-T211 VanDerWaalsContact O-CG2 3.3Å; N207-T211 WeakPolarHBondContact O-CG2 3.38Å; N207-T211 PolarHBondContact O-N 3.17Å; N207-T211 VanDerWaalsContact O-N 3.1Å; N207-T211 PolarHBondContact O-OG1 2.73Å
208	T	83.6	Confident	79.3	Confident	59 Å²	59	71.6 Å²	71.6	36%	0.362	40%	0.404	S	S	.	.	H	α-helix	trans	-72.6	-40.3	175.2	-49	0	0	0	0	112	L204 S205 S206 T211 L212	L204-T208 HydrophobicContact CD2-CG2 4Å; S205-T208 PolarHBondContact O-N 2.66Å; S205-T208 VanDerWaalsContact O-N 3.13Å; S205-T208 WeakPolarHBondContact OG-CB 3.47Å; S205-T208 PolarHBondContact OG-N 2.88Å; S205-T208 VanDerWaalsContact OG-N 3.14Å; S205-T208 PolarHBondContact OG-OG1 3.01Å; S206-T208 VanDerWaalsContact C-N 3.27Å; S206-T208 PolarHBondContact O-N 3.47Å; T208-T211 WeakPolarHBondContact CA-OG1 3.43Å; T208-T211 PolarHBondContact O-OG1 2.65Å; T208-L212 HydrophobicContact CG2-CD1 4.1Å; T208-L212 WeakPolarHBondContact O-CB 3.49Å; T208-L212 VanDerWaalsContact O-CG 3.25Å; T208-L212 WeakPolarHBondContact O-CG 3.22Å; T208-L212 PolarHBondContact O-N 3.4Å
209	A	83.9	Confident	77.6	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-63.5	-46.2	176.2	0	0	0	0	0	111.3	V201 L204 S205 S206 L212 G213 L214	V201-A209 HydrophobicContact CG1-CB 4.13Å; L204-A209 HydrophobicContact CB-CB 4.26Å; L204-A209 HydrophobicContact CD1-CB 4.48Å; S205-A209 PolarHBondContact O-N 3.06Å; S206-A209 PolarHBondContact O-N 3.37Å; A209-L212 CarbonylContact O-C 3.59Å; A209-L212 PolarHBondContact O-N 2.95Å; A209-G213 PolarHBondContact O-N 3.32Å; A209-L214 PolarHBondContact O-N 3.34Å
210	D	81.9	Confident	75.6	Confident	102 Å²	102	70.4 Å²	70.4	55%	0.545	41%	0.412	S	S	.	.	H	α-helix	trans	-67.4	-41.8	-178.6	-65.3	-34	0	0	0	112.2	S206 L212 G213	S206-D210 VanDerWaalsContact O-CG 3.32Å; S206-D210 PolarHBondContact O-N 3.15Å; D210-L212 PolarHBondContact O-N 2.97Å; D210-G213 PolarHBondContact O-N 2.87Å
211	T	85.4	Confident	73.8	Confident	120 Å²	120	72.7 Å²	72.7	74%	0.736	43%	0.425	S	S	*	.	H	α-helix	trans	-67.1	-22.2	174.9	48.4	0	0	0	0	113.8	N207 T208	N207-T211 WeakPolarHBondContact O-CB 3.49Å; N207-T211 VanDerWaalsContact O-CG2 3.3Å; N207-T211 WeakPolarHBondContact O-CG2 3.38Å; N207-T211 PolarHBondContact O-N 3.17Å; N207-T211 VanDerWaalsContact O-N 3.1Å; N207-T211 PolarHBondContact O-OG1 2.73Å; T208-T211 WeakPolarHBondContact CA-OG1 3.43Å; T208-T211 PolarHBondContact O-OG1 2.65Å
212	L	84.4	Confident	72.8	Confident	110 Å²	110	73.9 Å²	73.9	58%	0.576	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	2.2	170.6	-66.7	174	0	0	0	113.3	L204 T208 A209 D210 L214	L204-L212 HydrophobicContact CD1-CD1 4.09Å; T208-L212 HydrophobicContact CG2-CD1 4.1Å; T208-L212 WeakPolarHBondContact O-CB 3.49Å; T208-L212 VanDerWaalsContact O-CG 3.25Å; T208-L212 WeakPolarHBondContact O-CG 3.22Å; T208-L212 PolarHBondContact O-N 3.4Å; A209-L212 CarbonylContact O-C 3.59Å; A209-L212 PolarHBondContact O-N 2.95Å; D210-L212 PolarHBondContact O-N 2.97Å; L212-L214 HydrophobicContact CB-CD1 3.98Å; L212-L214 HydrophobicContact CB-CG 3.95Å; L212-L214 HydrophobicContact CD1-CD1 4.25Å; L212-L214 PolarHBondContact O-N 2.95Å
213	G	81.1	Confident	72.3	Confident	57 Å²	57	74.2 Å²	74.2	59%	0.588	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	15.3	-175.8	0	0	0	0	0	114	A209 D210 S215	A209-G213 PolarHBondContact O-N 3.32Å; D210-G213 PolarHBondContact O-N 2.87Å; G213-S215 PolarHBondContact O-N 3.28Å
214	L	79.8	Confident	72.1	Confident	47 Å²	47	67.9 Å²	67.9	25%	0.246	40%	0.404	C	S	.	.			trans	-92.2	71.1	-175	-65.2	177.2	0	0	0	111.2	K197 V201 L204 A209 L212 R216	K197-L214 HydrophobicContact CG-CD2 4.44Å; V201-L214 HydrophobicContact CG2-CB 3.61Å; V201-L214 HydrophobicContact CG2-CD1 4.02Å; V201-L214 HydrophobicContact CG2-CG 4.31Å; L204-L214 HydrophobicContact CD1-CD1 4.06Å; A209-L214 PolarHBondContact O-N 3.34Å; L212-L214 HydrophobicContact CB-CD1 3.98Å; L212-L214 HydrophobicContact CB-CG 3.95Å; L212-L214 HydrophobicContact CD1-CD1 4.25Å; L212-L214 PolarHBondContact O-N 2.95Å; L214-R216 PolarHBondContact O-N 3.34Å; L214-R216 VanDerWaalsContact O-N 3.1Å
215	S	71.6	Confident	71.8	Confident	84 Å²	84	68.9 Å²	68.9	59%	0.587	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-46.5	119.3	178.5	-39.4	0	0	0	0	111.7	K197 G213	K197-S215 PolarHBondContact NZ-O 2.85Å; G213-S215 PolarHBondContact O-N 3.28Å
216	R	70.2	Confident	71.7	Confident	88 Å²	88	71.9 Å²	71.9	33%	0.332	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-74.7	141.5	177.6	-169.7	167.4	-168.8	153.4	4.9	109.8	V201 D202 L204 L214	V201-R216 HydrophobicContact CG1-CB 3.78Å; V201-R216 HydrophobicContact CG1-CG 3.85Å; D202-R216 PolarHBondContact O-NH2 3.41Å; D202-R216 IonicContact OD1-CZ 3.2Å; D202-R216 IonicContact OD1-NE 3.67Å; D202-R216 IonicContact OD1-NH2 2.65Å; D202-R216 PolarHBondContact OD1-NH2 3.12Å; L204-R216 PolarHBondContact O-NH1 2.81Å; L214-R216 PolarHBondContact O-N 3.34Å; L214-R216 VanDerWaalsContact O-N 3.1Å
217	A	63.8	Low	71.7	Confident	27 Å²	27	72.3 Å²	72.3	22%	0.223	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-75.2	135.6	170	0	0	0	0	0	109.1	L219 L336	A217-L219 PolarHBondContact O-N 3.48Å; A217-L336 HydrophobicContact CB-CD1 3.99Å; A217-L336 HydrophobicContact CB-CD2 3.76Å; A217-L336 HydrophobicContact CB-CG 4.45Å
218	I	51.6	Low	71.6	Confident	112 Å²	112	69.2 Å²	69.2	57%	0.574	39%	0.392	S	S	*	.	S	Bend	trans	-80.5	68	-173.7	-47	-180	0	0	0	110.5	C220	I218-C220 HydrophobicContact CG2-CB 4.03Å
219	L	53.1	Low	71.6	Confident	36 Å²	36	71.7 Å²	71.7	19%	0.188	40%	0.399	C	S	.	.			trans	-96.8	43.9	153.2	-61.1	-175.3	0	0	0	109.1	F11 A217 N221 K332 L336	F11-L219 HydrophobicContact CD1-CD2 4.09Å; F11-L219 HydrophobicContact CE1-CD2 3.86Å; A217-L219 PolarHBondContact O-N 3.48Å; L219-N221 VanDerWaalsContact C-N 3.29Å; L219-N221 PolarHBondContact O-N 2.92Å; L219-N221 VanDerWaalsContact O-N 3.15Å; L219-K332 HydrophobicContact CD1-CD 4.31Å; L219-K332 HydrophobicContact CD1-CG 3.83Å; L219-L336 HydrophobicContact CD1-CD1 3.92Å; L219-L336 HydrophobicContact CD1-CD2 3.82Å; L219-L336 HydrophobicContact CD1-CG 3.95Å; L219-L336 HydrophobicContact CG-CD2 4.06Å
220	C	44.9	Very low	71.7	Confident	72 Å²	72	76 Å²	76	49%	0.486	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	59	-174.5	-65.2	0	0	0	0	111.5	I218	I218-C220 HydrophobicContact CG2-CB 4.03Å
221	N	49.8	Very low	71.8	Confident	135 Å²	135	71.6 Å²	71.6	72%	0.722	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-166.1	39	159.7	-96.3	-22.6	0	0	0	109.4	F9 L219 S223	F9-N221 HydrophobicContact CE1-CB 4.36Å; L219-N221 VanDerWaalsContact C-N 3.29Å; L219-N221 PolarHBondContact O-N 2.92Å; L219-N221 VanDerWaalsContact O-N 3.15Å; N221-S223 PolarHBondContact O-N 3.43Å
222	D	64.2	Low	71.9	Confident	27 Å²	27	71.1 Å²	71.1	14%	0.144	39%	0.385	C	S	.	.			trans	-76.9	96	-179.3	-165.3	-0.9	0	0	0	109.7	L224 V225 Y328 K332	D222-L224 PolarHBondContact O-N 3.49Å; D222-L224 VanDerWaalsContact OD1-CB 3.3Å; D222-L224 WeakPolarHBondContact OD1-CB 3.35Å; D222-L224 WeakPolarHBondContact OD1-CG 3.34Å; D222-L224 PolarHBondContact OD1-N 3.46Å; D222-V225 HydrophobicContact CB-CG2 4.18Å; D222-V225 WeakPolarHBondContact O-CB 3.29Å; D222-V225 PolarHBondContact O-N 2.78Å; D222-Y328 PolarHBondContact OD2-OH 2.87Å; D222-K332 IonicContact OD2-NZ 2.63Å; D222-K332 PolarHBondContact OD2-NZ 3Å
223	S	70.2	Confident	72.1	Confident	58 Å²	58	66.6 Å²	66.6	41%	0.406	37%	0.365	S	S	.	.	H	α-helix	trans	-56.4	-19.8	178.6	53.3	0	0	0	0	113.1	N221 V225 K226 R227	N221-S223 PolarHBondContact O-N 3.43Å; S223-V225 VanDerWaalsContact C-N 3.27Å; S223-V225 PolarHBondContact O-N 2.85Å; S223-K226 PolarHBondContact O-N 3.33Å; S223-R227 PolarHBondContact O-N 3.24Å
224	L	73.4	Confident	72.2	Confident	3 Å²	3	65.4 Å²	65.4	2%	0.016	35%	0.346	C	S	.	.	H	α-helix	trans	-66.8	-22.2	172.5	-58.1	177.4	0	0	0	113.5	D222 L228 Y328 R387 V390 L391 M394	D222-L224 PolarHBondContact O-N 3.49Å; D222-L224 VanDerWaalsContact OD1-CB 3.3Å; D222-L224 WeakPolarHBondContact OD1-CB 3.35Å; D222-L224 WeakPolarHBondContact OD1-CG 3.34Å; D222-L224 PolarHBondContact OD1-N 3.46Å; L224-L228 WeakPolarHBondContact O-CB 3.33Å; L224-L228 VanDerWaalsContact O-CG 3.24Å; L224-L228 WeakPolarHBondContact O-CG 3.4Å; L224-L228 PolarHBondContact O-N 3.44Å; L224-Y328 HydrophobicContact CD1-CD1 3.93Å; L224-Y328 HydrophobicContact CD1-CE1 3.45Å; L224-Y328 VanDerWaalsContact CD1-CE1 3.45Å; L224-Y328 HydrophobicContact CD1-CE2 4.18Å; L224-Y328 HydrophobicContact CD1-CG 4.49Å; L224-R387 HydrophobicContact CD1-CG 4.48Å; L224-V390 HydrophobicContact CD1-CG1 3.94Å; L224-V390 HydrophobicContact CD2-CG1 3.62Å; L224-V390 HydrophobicContact CG-CG1 4.37Å; L224-L391 HydrophobicContact CD2-CD2 3.63Å; L224-L391 HydrophobicContact CD2-CG 4.16Å; L224-M394 HydrophobicContact CD2-SD 4.12Å
225	V	73.1	Confident	72.7	Confident	63 Å²	63	65 Å²	65	38%	0.382	34%	0.343	S	S	.	.	H	α-helix	trans	-69.1	-49.1	173.2	176.5	0	0	0	0	110.1	D222 S223 R227 L228 E229	D222-V225 HydrophobicContact CB-CG2 4.18Å; D222-V225 WeakPolarHBondContact O-CB 3.29Å; D222-V225 PolarHBondContact O-N 2.78Å; S223-V225 VanDerWaalsContact C-N 3.27Å; S223-V225 PolarHBondContact O-N 2.85Å; V225-R227 PolarHBondContact O-N 2.85Å; V225-L228 WeakPolarHBondContact O-CB 3.35Å; V225-L228 PolarHBondContact O-N 2.87Å; V225-L228 VanDerWaalsContact O-N 3.13Å; V225-E229 WeakPolarHBondContact O-CG 3.46Å; V225-E229 PolarHBondContact O-N 3.48Å
226	K	77	Confident	73.5	Confident	127 Å²	127	63.9 Å²	63.9	55%	0.552	33%	0.33	S	S	*	.	H	α-helix	trans	-62.5	-44.7	176	-176	172.7	-179.5	-71.4	0	111.7	S223 L228 E229 E230	S223-K226 PolarHBondContact O-N 3.33Å; K226-L228 VanDerWaalsContact C-N 3.27Å; K226-L228 PolarHBondContact O-N 2.93Å; K226-E229 PolarHBondContact O-N 3.32Å; K226-E230 IonicContact NZ-OE1 3.63Å; K226-E230 PolarHBondContact NZ-OE1 3.44Å; K226-E230 IonicContact NZ-OE2 2.95Å; K226-E230 WeakPolarHBondContact O-CG 3.47Å; K226-E230 PolarHBondContact O-N 3.11Å
227	R	80.2	Confident	74.3	Confident	75 Å²	75	62.9 Å²	62.9	28%	0.283	33%	0.33	S	S	.	.	H	α-helix	trans	-64.7	-29.5	174.7	-66.6	-164.9	-171.2	-166.1	7.2	112.9	S223 V225 E230 L231 M394 E398	S223-R227 PolarHBondContact O-N 3.24Å; V225-R227 PolarHBondContact O-N 2.85Å; R227-E230 WeakPolarHBondContact CA-OE2 3.45Å; R227-L231 VanDerWaalsContact O-CB 3.31Å; R227-L231 WeakPolarHBondContact O-CB 3.5Å; R227-L231 PolarHBondContact O-N 2.95Å; R227-M394 HydrophobicContact CB-CE 3.52Å; R227-M394 HydrophobicContact CB-SD 4.07Å; R227-M394 VanDerWaalsContact O-CE 3.28Å; R227-M394 WeakPolarHBondContact O-CE 3.42Å; R227-E398 IonicContact NH1-OE1 3.64Å
228	L	81.3	Confident	75.3	Confident	52 Å²	52	61.6 Å²	61.6	27%	0.272	32%	0.32	S	S	.	.	H	α-helix	trans	-66.3	-48	172.1	-91.2	173.6	0	0	0	111	L224 V225 K226 E230 L231 E232 V325	L224-L228 WeakPolarHBondContact O-CB 3.33Å; L224-L228 VanDerWaalsContact O-CG 3.24Å; L224-L228 WeakPolarHBondContact O-CG 3.4Å; L224-L228 PolarHBondContact O-N 3.44Å; V225-L228 WeakPolarHBondContact O-CB 3.35Å; V225-L228 PolarHBondContact O-N 2.87Å; V225-L228 VanDerWaalsContact O-N 3.13Å; K226-L228 VanDerWaalsContact C-N 3.27Å; K226-L228 PolarHBondContact O-N 2.93Å; L228-E230 VanDerWaalsContact C-N 3.3Å; L228-E230 PolarHBondContact O-N 3.36Å; L228-L231 CarbonylContact O-C 3.57Å; L228-L231 WeakPolarHBondContact O-CA 3.09Å; L228-L231 WeakPolarHBondContact O-CB 3.32Å; L228-L231 PolarHBondContact O-N 3.08Å; L228-L231 VanDerWaalsContact O-N 3.08Å; L228-E232 WeakPolarHBondContact O-CG 3.27Å; L228-E232 PolarHBondContact O-N 3Å; L228-V325 HydrophobicContact CD1-CG1 3.76Å; L228-V325 HydrophobicContact CD2-CB 4.23Å; L228-V325 HydrophobicContact CD2-CG1 3.92Å; L228-V325 HydrophobicContact CD2-CG2 4.23Å; L228-V325 HydrophobicContact CG-CG1 4Å
229	E	83.2	Confident	77	Confident	111 Å²	111	60.4 Å²	60.4	52%	0.519	31%	0.31	S	S	.	.	H	α-helix	trans	-58.3	-43.2	176.9	-67.2	166.6	157.3	0	0	111	V225 K226 L231 E232 G233	V225-E229 WeakPolarHBondContact O-CG 3.46Å; V225-E229 PolarHBondContact O-N 3.48Å; K226-E229 PolarHBondContact O-N 3.32Å; E229-L231 PolarHBondContact O-N 3.35Å; E229-E232 PolarHBondContact O-N 3Å; E229-G233 PolarHBondContact O-N 2.94Å
230	E	84.7	Confident	78.6	Confident	90 Å²	90	59.1 Å²	59.1	42%	0.421	31%	0.306	S	S	.	.	H	α-helix	trans	-61.7	-39.5	173.3	-69.9	165.4	159.3	0	0	112.3	K226 R227 L228 T234	K226-E230 IonicContact NZ-OE1 3.63Å; K226-E230 PolarHBondContact NZ-OE1 3.44Å; K226-E230 IonicContact NZ-OE2 2.95Å; K226-E230 WeakPolarHBondContact O-CG 3.47Å; K226-E230 PolarHBondContact O-N 3.11Å; R227-E230 WeakPolarHBondContact CA-OE2 3.45Å; L228-E230 VanDerWaalsContact C-N 3.3Å; L228-E230 PolarHBondContact O-N 3.36Å; E230-T234 WeakPolarHBondContact O-CB 3.37Å; E230-T234 PolarHBondContact O-N 3.4Å; E230-T234 PolarHBondContact O-OG1 3.43Å
231	L	85.6	Confident	80.5	Confident	10 Å²	10	57.4 Å²	57.4	5%	0.052	29%	0.292	C	S	.	.	H	α-helix	trans	-68.9	-33.1	173.7	178.5	60.3	0	0	0	112.8	R227 L228 E229 E235 I318 T321 K322 M394 L397	R227-L231 VanDerWaalsContact O-CB 3.31Å; R227-L231 WeakPolarHBondContact O-CB 3.5Å; R227-L231 PolarHBondContact O-N 2.95Å; L228-L231 CarbonylContact O-C 3.57Å; L228-L231 WeakPolarHBondContact O-CA 3.09Å; L228-L231 WeakPolarHBondContact O-CB 3.32Å; L228-L231 PolarHBondContact O-N 3.08Å; L228-L231 VanDerWaalsContact O-N 3.08Å; E229-L231 PolarHBondContact O-N 3.35Å; L231-E235 WeakPolarHBondContact O-CB 3.47Å; L231-E235 PolarHBondContact O-N 2.95Å; L231-I318 HydrophobicContact CD1-CD1 4.5Å; L231-I318 HydrophobicContact CD1-CG1 4.13Å; L231-I318 HydrophobicContact CD1-CG2 4.06Å; L231-I318 HydrophobicContact CG-CG2 4.37Å; L231-T321 HydrophobicContact CD2-CG2 3.97Å; L231-K322 HydrophobicContact CD2-CG 3.99Å; L231-M394 HydrophobicContact CB-CE 4.24Å; L231-M394 HydrophobicContact CD2-CE 4.11Å; L231-L397 HydrophobicContact CD1-CD2 3.49Å; L231-L397 VanDerWaalsContact CD1-CD2 3.49Å
232	E	87.2	Confident	82.1	Confident	110 Å²	110	51.3 Å²	51.3	51%	0.514	26%	0.259	S	S	.	.	H	α-helix	trans	-72.9	-41.6	176.8	-52.3	-129.6	115.5	0	0	111.3	L228 E229 T234 E235 L236 K322	L228-E232 WeakPolarHBondContact O-CG 3.27Å; L228-E232 PolarHBondContact O-N 3Å; E229-E232 PolarHBondContact O-N 3Å; E232-T234 VanDerWaalsContact C-N 3.34Å; E232-E235 WeakPolarHBondContact O-CB 3.44Å; E232-E235 PolarHBondContact O-N 3.27Å; E232-L236 PolarHBondContact O-N 3.02Å; E232-K322 WeakPolarHBondContact OE1-CE 3.2Å; E232-K322 IonicContact OE1-NZ 3.71Å; E232-K322 PolarHBondContact OE1-NZ 3.28Å
233	G	87.6	Confident	83.2	Confident	15 Å²	15	53.6 Å²	53.6	16%	0.155	27%	0.269	C	S	.	.	H	α-helix	trans	-60.4	-42.2	169.6	0	0	0	0	0	112.3	E229 E235 L236 M237	E229-G233 PolarHBondContact O-N 2.94Å; G233-E235 PolarHBondContact O-N 2.84Å; G233-L236 PolarHBondContact O-N 3.18Å; G233-M237 PolarHBondContact O-N 2.77Å
234	T	84.9	Confident	83.9	Confident	32 Å²	32	55.8 Å²	55.8	20%	0.196	27%	0.273	C	S	.	.	H	α-helix	trans	-61.2	-42.4	173.8	-58.1	0	0	0	0	111.8	E230 E232 L236 M237 Y238 Y313	E230-T234 WeakPolarHBondContact O-CB 3.37Å; E230-T234 PolarHBondContact O-N 3.4Å; E230-T234 PolarHBondContact O-OG1 3.43Å; E232-T234 VanDerWaalsContact C-N 3.34Å; T234-L236 VanDerWaalsContact C-N 3.35Å; T234-L236 PolarHBondContact O-N 2.65Å; T234-M237 PolarHBondContact O-N 3.15Å; T234-Y238 HydrophobicContact CG2-CD2 4Å; T234-Y238 HydrophobicContact CG2-CE2 4.1Å; T234-Y238 WeakPolarHBondContact O-CD2 3.39Å; T234-Y238 PolarHBondContact O-N 3.25Å; T234-Y313 HydrophobicContact CG2-CE1 4.42Å
235	E	88.8	Confident	84.4	Confident	38 Å²	38	56 Å²	56	18%	0.178	28%	0.275	C	S	.	.	H	α-helix	trans	-61.4	-42.7	176	-167.1	-170	125.4	0	0	111.8	L231 E232 G233 Y238 K239 L314 I318 K322	L231-E235 WeakPolarHBondContact O-CB 3.47Å; L231-E235 PolarHBondContact O-N 2.95Å; E232-E235 WeakPolarHBondContact O-CB 3.44Å; E232-E235 PolarHBondContact O-N 3.27Å; G233-E235 PolarHBondContact O-N 2.84Å; E235-Y238 PolarHBondContact O-N 3.31Å; E235-K239 HydrophobicContact CG-CD 4.48Å; E235-K239 WeakPolarHBondContact O-CG 3.4Å; E235-K239 PolarHBondContact O-N 2.62Å; E235-K239 VanDerWaalsContact OE1-CE 3.29Å; E235-K239 WeakPolarHBondContact OE1-CE 3.44Å; E235-K239 IonicContact OE1-NZ 2.87Å; E235-K239 PolarHBondContact OE1-NZ 2.71Å; E235-L314 HydrophobicContact CG-CD1 3.83Å; E235-I318 HydrophobicContact CB-CD1 3.86Å; E235-I318 HydrophobicContact CB-CG2 4.22Å; E235-I318 HydrophobicContact CG-CD1 3.99Å; E235-I318 HydrophobicContact CG-CG2 4.04Å; E235-I318 WeakPolarHBondContact OE2-CG2 3.4Å; E235-K322 VanDerWaalsContact OE2-CE 3.27Å; E235-K322 WeakPolarHBondContact OE2-CE 3.16Å; E235-K322 IonicContact OE2-NZ 2.65Å; E235-K322 PolarHBondContact OE2-NZ 2.87Å
236	L	89.3	Confident	84.9	Confident	61 Å²	61	57.7 Å²	57.7	32%	0.319	27%	0.274	S	S	.	.	H	α-helix	trans	-66.6	-43.1	179.4	-165.9	69.9	0	0	0	111.8	E232 G233 T234 Y238 K239 G240 I530 Y544	E232-L236 PolarHBondContact O-N 3.02Å; G233-L236 PolarHBondContact O-N 3.18Å; T234-L236 VanDerWaalsContact C-N 3.35Å; T234-L236 PolarHBondContact O-N 2.65Å; L236-Y238 PolarHBondContact O-N 3.22Å; L236-K239 WeakPolarHBondContact O-CB 3.37Å; L236-K239 PolarHBondContact O-N 3.05Å; L236-G240 PolarHBondContact O-N 3.48Å; L236-I530 HydrophobicContact CD1-CG2 4.27Å; L236-Y544 VanDerWaalsContact CD2-O 3.31Å; L236-Y544 WeakPolarHBondContact CD2-O 3.46Å
237	M	85.6	Confident	85.3	Confident	67 Å²	67	53.9 Å²	53.9	33%	0.33	26%	0.257	S	S	.	.	H	α-helix	trans	-58.9	-44.6	173	-176.4	-164.5	69.1	0	0	111.6	G233 T234 K239 G240 L241 L405 F546	G233-M237 PolarHBondContact O-N 2.77Å; T234-M237 PolarHBondContact O-N 3.15Å; M237-K239 VanDerWaalsContact C-N 3.35Å; M237-K239 PolarHBondContact O-N 3.01Å; M237-G240 PolarHBondContact O-N 3.45Å; M237-L241 VanDerWaalsContact O-CB 3.31Å; M237-L241 WeakPolarHBondContact O-CB 3.47Å; M237-L241 PolarHBondContact O-N 3.23Å; M237-L405 HydrophobicContact CE-CD2 4.46Å; M237-F546 HydrophobicContact CG-CE2 4.36Å
238	Y	85	Confident	85.5	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.6	-33.6	176.8	-93.8	-98.1	0	0	0	113	T234 E235 L236 V242 L310 Y313 H401	T234-Y238 HydrophobicContact CG2-CD2 4Å; T234-Y238 HydrophobicContact CG2-CE2 4.1Å; T234-Y238 WeakPolarHBondContact O-CD2 3.39Å; T234-Y238 PolarHBondContact O-N 3.25Å; E235-Y238 PolarHBondContact O-N 3.31Å; L236-Y238 PolarHBondContact O-N 3.22Å; Y238-V242 WeakPolarHBondContact O-CB 3.3Å; Y238-V242 VanDerWaalsContact O-CG2 3.26Å; Y238-V242 WeakPolarHBondContact O-CG2 3.28Å; Y238-V242 PolarHBondContact O-N 2.7Å; Y238-L310 HydrophobicContact CD1-CD2 4.12Å; Y238-L310 HydrophobicContact CE1-CD2 3.73Å; Y238-Y313 AromaticContact CD1-CD1 3.48Å; Y238-Y313 HydrophobicContact CD1-CD1 3.48Å; Y238-Y313 VanDerWaalsContact CD1-CD1 3.48Å; Y238-Y313 HydrophobicContact CD1-CE1 4.03Å; Y238-Y313 HydrophobicContact CD1-CG 4.42Å; Y238-Y313 HydrophobicContact CD2-CD1 4Å; Y238-Y313 AromaticContact CD2-CE1 3.66Å; Y238-Y313 HydrophobicContact CD2-CE1 3.66Å; Y238-Y313 AromaticContact CE1-CD1 3.25Å; Y238-Y313 HydrophobicContact CE1-CD1 3.25Å; Y238-Y313 AromaticContact CE1-CE1 3.79Å; Y238-Y313 HydrophobicContact CE1-CE1 3.79Å; Y238-Y313 AromaticContact CE1-CG 3.92Å; Y238-Y313 HydrophobicContact CE1-CG 3.92Å; Y238-Y313 AromaticContact CE2-CD1 3.82Å; Y238-Y313 HydrophobicContact CE2-CD1 3.82Å; Y238-Y313 AromaticContact CE2-CE1 3.4Å; Y238-Y313 HydrophobicContact CE2-CE1 3.4Å; Y238-Y313 AromaticContact CG-CD1 3.83Å; Y238-Y313 HydrophobicContact CG-CD1 3.83Å; Y238-Y313 AromaticContact CG-CE1 3.95Å; Y238-Y313 HydrophobicContact CG-CE1 3.95Å; Y238-Y313 AromaticContact CZ-CD1 3.44Å; Y238-Y313 VanDerWaalsContact CZ-CD1 3.44Å; Y238-Y313 AromaticContact CZ-CE1 3.46Å; Y238-Y313 VanDerWaalsContact CZ-CE1 3.46Å; Y238-H401 AromaticContact CE2-CE1 3.73Å; Y238-H401 AromaticContact CE2-ND1 3.41Å; Y238-H401 WeakPolarHBondContact CE2-ND1 3.3Å; Y238-H401 AromaticContact CZ-ND1 3.62Å; Y238-H401 PolarHBondContact OH-ND1 3.14Å
239	K	87.8	Confident	85.6	Confident	86 Å²	86	51.2 Å²	51.2	37%	0.374	25%	0.247	S	C	.	.	H	α-helix	trans	-61.5	-53.5	171.4	-77	164.7	165.6	169.4	0	110.9	E235 L236 M237 L241 V242 E243 L314	E235-K239 HydrophobicContact CG-CD 4.48Å; E235-K239 WeakPolarHBondContact O-CG 3.4Å; E235-K239 PolarHBondContact O-N 2.62Å; E235-K239 VanDerWaalsContact OE1-CE 3.29Å; E235-K239 WeakPolarHBondContact OE1-CE 3.44Å; E235-K239 IonicContact OE1-NZ 2.87Å; E235-K239 PolarHBondContact OE1-NZ 2.71Å; L236-K239 WeakPolarHBondContact O-CB 3.37Å; L236-K239 PolarHBondContact O-N 3.05Å; M237-K239 VanDerWaalsContact C-N 3.35Å; M237-K239 PolarHBondContact O-N 3.01Å; K239-L241 PolarHBondContact O-N 2.87Å; K239-V242 PolarHBondContact O-N 3.41Å; K239-E243 PolarHBondContact O-N 2.93Å; K239-L314 HydrophobicContact CG-CD1 3.84Å; K239-L314 HydrophobicContact CG-CD2 3.92Å; K239-L314 HydrophobicContact CG-CG 4.5Å
240	G	87.3	Confident	85.7	Confident	10 Å²	10	47 Å²	47	10%	0.103	23%	0.227	C	C	.	.	H	α-helix	trans	-56.8	-46.8	177.6	0	0	0	0	0	112.5	L236 M237 V242 E243 H244	L236-G240 PolarHBondContact O-N 3.48Å; M237-G240 PolarHBondContact O-N 3.45Å; G240-V242 PolarHBondContact O-N 3.35Å; G240-E243 PolarHBondContact O-N 3.32Å; G240-H244 WeakPolarHBondContact O-CB 3.48Å; G240-H244 PolarHBondContact O-N 3.23Å
241	L	84.2	Confident	85.8	Confident	36 Å²	36	45 Å²	45	19%	0.188	23%	0.225	C	C	.	.	H	α-helix	trans	-61.2	-44.2	177.5	-179.1	60.6	0	0	0	112.8	M237 K239 A245 L310 L405	M237-L241 VanDerWaalsContact O-CB 3.31Å; M237-L241 WeakPolarHBondContact O-CB 3.47Å; M237-L241 PolarHBondContact O-N 3.23Å; K239-L241 PolarHBondContact O-N 2.87Å; L241-A245 VanDerWaalsContact O-CB 3.24Å; L241-A245 WeakPolarHBondContact O-CB 3.48Å; L241-A245 PolarHBondContact O-N 3.32Å; L241-L310 HydrophobicContact CD2-CD2 3.82Å; L241-L405 HydrophobicContact CD2-CD1 3.77Å
242	V	84.2	Confident	85.9	Confident	7 Å²	7	46.7 Å²	46.7	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-71	-38.2	179.6	170.2	0	0	0	0	112	Y238 K239 G240 R246 L310 L314	Y238-V242 WeakPolarHBondContact O-CB 3.3Å; Y238-V242 VanDerWaalsContact O-CG2 3.26Å; Y238-V242 WeakPolarHBondContact O-CG2 3.28Å; Y238-V242 PolarHBondContact O-N 2.7Å; K239-V242 PolarHBondContact O-N 3.41Å; G240-V242 PolarHBondContact O-N 3.35Å; V242-R246 WeakPolarHBondContact O-CB 3.29Å; V242-R246 WeakPolarHBondContact O-CD 3.15Å; V242-R246 WeakPolarHBondContact O-CG 3.21Å; V242-R246 PolarHBondContact O-N 3.32Å; V242-L310 HydrophobicContact CG2-CB 3.84Å; V242-L314 HydrophobicContact CB-CD2 4.37Å; V242-L314 HydrophobicContact CG2-CD2 4.28Å
243	E	85.8	Confident	85.9	Confident	75 Å²	75	42.1 Å²	42.1	35%	0.35	21%	0.209	S	C	.	.	H	α-helix	trans	-67.4	-48	173	-96.6	-160.6	78.5	0	0	112.1	K239 G240 A245 R246 R247	K239-E243 PolarHBondContact O-N 2.93Å; G240-E243 PolarHBondContact O-N 3.32Å; E243-A245 PolarHBondContact O-N 2.85Å; E243-R246 WeakPolarHBondContact O-CB 3.35Å; E243-R246 PolarHBondContact O-N 3.46Å; E243-R247 WeakPolarHBondContact O-CG 3.46Å; E243-R247 PolarHBondContact O-N 2.99Å; E243-R247 IonicContact OE1-CZ 2.73Å; E243-R247 IonicContact OE1-NE 3.93Å; E243-R247 IonicContact OE1-NH2 2.59Å; E243-R247 PolarHBondContact OE1-NH2 2.96Å
244	H	85.6	Confident	85.9	Confident	104 Å²	104	44.2 Å²	44.2	48%	0.481	22%	0.217	S	C	.	.	H	α-helix	trans	-59.9	-48.1	-179.7	-177.6	89	0	0	0	111.1	G240 R246 R247 M248	G240-H244 WeakPolarHBondContact O-CB 3.48Å; G240-H244 PolarHBondContact O-N 3.23Å; H244-R246 VanDerWaalsContact C-N 3.29Å; H244-R246 PolarHBondContact O-N 2.94Å; H244-R247 PolarHBondContact O-N 3.38Å; H244-M248 WeakPolarHBondContact O-CB 3.44Å; H244-M248 PolarHBondContact O-N 2.91Å
245	A	83.4	Confident	86	Confident	7 Å²	7	46 Å²	46	6%	0.058	23%	0.225	C	C	.	.	H	α-helix	trans	-66.6	-27.8	178.7	0	0	0	0	0	113	L241 E243 L249 L307	L241-A245 VanDerWaalsContact O-CB 3.24Å; L241-A245 WeakPolarHBondContact O-CB 3.48Å; L241-A245 PolarHBondContact O-N 3.32Å; E243-A245 PolarHBondContact O-N 2.85Å; A245-L249 WeakPolarHBondContact O-CG 3.4Å; A245-L249 PolarHBondContact O-N 3.14Å; A245-L307 HydrophobicContact CB-CD2 3.67Å
246	R	84.4	Confident	86.1	Confident	98 Å²	98	44.2 Å²	44.2	37%	0.37	22%	0.216	S	C	.	.	H	α-helix	trans	-70.3	-46.3	168.9	-76.3	171.4	178.6	-169.3	-0.9	112.4	V242 E243 H244 M248 L249 K250 L307 L518 V521	V242-R246 WeakPolarHBondContact O-CB 3.29Å; V242-R246 WeakPolarHBondContact O-CD 3.15Å; V242-R246 WeakPolarHBondContact O-CG 3.21Å; V242-R246 PolarHBondContact O-N 3.32Å; E243-R246 WeakPolarHBondContact O-CB 3.35Å; E243-R246 PolarHBondContact O-N 3.46Å; H244-R246 VanDerWaalsContact C-N 3.29Å; H244-R246 PolarHBondContact O-N 2.94Å; R246-M248 VanDerWaalsContact C-N 3.31Å; R246-M248 PolarHBondContact O-N 3.11Å; R246-L249 PolarHBondContact O-N 3.3Å; R246-K250 PolarHBondContact O-N 2.91Å; R246-L307 HydrophobicContact CG-CD1 4.19Å; R246-L518 HydrophobicContact CB-CD2 3.88Å; R246-L518 HydrophobicContact CG-CD2 4.1Å; R246-L518 VanDerWaalsContact O-CD2 3.31Å; R246-L518 WeakPolarHBondContact O-CD2 3.35Å; R246-V521 HydrophobicContact CB-CG2 4.48Å
247	R	84.8	Confident	86.1	Confident	48 Å²	48	44.3 Å²	44.3	18%	0.181	22%	0.215	C	C	.	.	H	α-helix	trans	-58.6	-44.1	175.4	-71.6	172	179.4	-99.2	-1.1	110.7	E243 H244 K250 A251 V521 L523 S525	E243-R247 WeakPolarHBondContact O-CG 3.46Å; E243-R247 PolarHBondContact O-N 2.99Å; E243-R247 IonicContact OE1-CZ 2.73Å; E243-R247 IonicContact OE1-NE 3.93Å; E243-R247 IonicContact OE1-NH2 2.59Å; E243-R247 PolarHBondContact OE1-NH2 2.96Å; H244-R247 PolarHBondContact O-N 3.38Å; R247-K250 PolarHBondContact O-N 3.05Å; R247-A251 PolarHBondContact O-N 3.28Å; R247-V521 HydrophobicContact CG-CG1 4.08Å; R247-L523 HydrophobicContact CB-CD2 4.3Å; R247-L523 WeakPolarHBondContact O-CD2 3.39Å; R247-S525 PolarHBondContact NH1-O 3.39Å; R247-S525 PolarHBondContact NH1-OG 2.97Å; R247-S525 PolarHBondContact NH2-OG 3.09Å; R247-S525 VanDerWaalsContact NH2-OG 3.09Å
248	M	84.7	Confident	86.3	Confident	66 Å²	66	44.3 Å²	44.3	33%	0.325	22%	0.219	S	C	.	.	H	α-helix	trans	-58.5	-50.8	173.8	-177.3	-173.2	73	0	0	112.2	H244 R246 K250 A251 Y252 L412	H244-M248 WeakPolarHBondContact O-CB 3.44Å; H244-M248 PolarHBondContact O-N 2.91Å; R246-M248 VanDerWaalsContact C-N 3.31Å; R246-M248 PolarHBondContact O-N 3.11Å; M248-K250 VanDerWaalsContact C-N 3.29Å; M248-K250 PolarHBondContact O-N 3.01Å; M248-A251 PolarHBondContact O-N 3.38Å; M248-Y252 VanDerWaalsContact O-CB 3.29Å; M248-Y252 WeakPolarHBondContact O-CB 3.33Å; M248-Y252 PolarHBondContact O-N 3.5Å; M248-L412 HydrophobicContact CE-CD1 4.12Å; M248-L412 HydrophobicContact CE-CD2 4.41Å
249	L	84	Confident	86.6	Confident	4 Å²	4	46.2 Å²	46.2	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-63.3	-33	177.2	-75.3	-168.4	0	0	0	113.2	A245 R246 Y253 I300 I303 L307 L518	A245-L249 WeakPolarHBondContact O-CG 3.4Å; A245-L249 PolarHBondContact O-N 3.14Å; R246-L249 PolarHBondContact O-N 3.3Å; L249-Y253 VanDerWaalsContact O-CB 3.26Å; L249-Y253 WeakPolarHBondContact O-CB 3.33Å; L249-Y253 PolarHBondContact O-N 3.1Å; L249-I300 HydrophobicContact CD2-CG1 4.36Å; L249-I303 HydrophobicContact CD1-CB 4.38Å; L249-I303 HydrophobicContact CD1-CG2 3.94Å; L249-I303 HydrophobicContact CD2-CB 4.29Å; L249-I303 HydrophobicContact CD2-CD1 3.82Å; L249-I303 HydrophobicContact CD2-CG2 4.1Å; L249-I303 HydrophobicContact CG-CG2 4.36Å; L249-L307 HydrophobicContact CD1-CD1 3.42Å; L249-L307 VanDerWaalsContact CD1-CD1 3.42Å; L249-L307 HydrophobicContact CG-CD1 4.3Å; L249-L518 HydrophobicContact CB-CD1 3.66Å; L249-L518 HydrophobicContact CB-CD2 4.29Å; L249-L518 HydrophobicContact CD1-CD1 4.4Å
250	K	85.2	Confident	86.8	Confident	24 Å²	24	43.4 Å²	43.4	10%	0.104	22%	0.215	C	C	.	.	H	α-helix	trans	-68.5	-50.5	175.9	177.4	54.8	172.1	-68.9	0	111.1	R246 R247 M248 Y252 Y253 D254 L513 L518 V521 L523	R246-K250 PolarHBondContact O-N 2.91Å; R247-K250 PolarHBondContact O-N 3.05Å; M248-K250 VanDerWaalsContact C-N 3.29Å; M248-K250 PolarHBondContact O-N 3.01Å; K250-Y252 VanDerWaalsContact C-N 3.29Å; K250-Y252 PolarHBondContact O-N 3.13Å; K250-Y253 WeakPolarHBondContact O-CB 3.41Å; K250-Y253 PolarHBondContact O-N 3.33Å; K250-Y253 VanDerWaalsContact O-N 3.17Å; K250-D254 WeakPolarHBondContact CE-OD2 3.48Å; K250-D254 VanDerWaalsContact O-CG 3.26Å; K250-D254 PolarHBondContact O-N 3.2Å; K250-L513 HydrophobicContact CD-CD2 4.14Å; K250-L518 PolarHBondContact NZ-O 3.25Å; K250-V521 HydrophobicContact CB-CB 4.25Å; K250-V521 HydrophobicContact CB-CG1 3.93Å; K250-V521 HydrophobicContact CG-CB 4.15Å; K250-V521 HydrophobicContact CG-CG1 4.05Å; K250-V521 PolarHBondContact NZ-O 2.72Å; K250-L523 HydrophobicContact CB-CD2 4.15Å; K250-L523 HydrophobicContact CG-CD1 4.15Å; K250-L523 HydrophobicContact CG-CD2 4.03Å; K250-L523 HydrophobicContact CG-CG 3.98Å
251	A	87.1	Confident	87	Confident	46 Å²	46	46 Å²	46	38%	0.38	23%	0.231	S	C	.	.	H	α-helix	trans	-59.3	-39.7	175.4	0	0	0	0	0	112.3	R247 M248 D254 L255 L523	R247-A251 PolarHBondContact O-N 3.28Å; M248-A251 PolarHBondContact O-N 3.38Å; A251-D254 PolarHBondContact O-N 3.08Å; A251-L255 PolarHBondContact O-N 3.45Å; A251-L523 HydrophobicContact CB-CD1 3.91Å; A251-L523 HydrophobicContact CB-CD2 4.32Å
252	Y	86.3	Confident	87.4	Confident	46 Å²	46	49.1 Å²	49.1	18%	0.18	24%	0.243	C	C	.	.	H	α-helix	trans	-66.5	-42.5	175.4	-172.5	-108.6	0	0	0	112.1	M248 K250 D254 L255 L256 I300 L419	M248-Y252 VanDerWaalsContact O-CB 3.29Å; M248-Y252 WeakPolarHBondContact O-CB 3.33Å; M248-Y252 PolarHBondContact O-N 3.5Å; K250-Y252 VanDerWaalsContact C-N 3.29Å; K250-Y252 PolarHBondContact O-N 3.13Å; Y252-D254 VanDerWaalsContact C-N 3.34Å; Y252-D254 PolarHBondContact O-N 2.89Å; Y252-L255 HydrophobicContact CD2-CD2 4.35Å; Y252-L255 HydrophobicContact CE2-CD2 4.47Å; Y252-L255 WeakPolarHBondContact O-CB 3.36Å; Y252-L255 PolarHBondContact O-N 3.34Å; Y252-L256 HydrophobicContact CD1-CD1 4.22Å; Y252-L256 HydrophobicContact CD1-CG 4.47Å; Y252-L256 HydrophobicContact CE1-CD1 3.81Å; Y252-L256 HydrophobicContact CE1-CD2 4.14Å; Y252-L256 HydrophobicContact CE1-CG 4.08Å; Y252-L256 HydrophobicContact CE2-CD2 4.49Å; Y252-L256 WeakPolarHBondContact O-CG 3.36Å; Y252-L256 PolarHBondContact O-N 3Å; Y252-I300 HydrophobicContact CD1-CD1 3.92Å; Y252-I300 HydrophobicContact CD1-CG1 3.93Å; Y252-I300 HydrophobicContact CE1-CD1 4.34Å; Y252-I300 HydrophobicContact CE1-CG1 4.31Å; Y252-L419 HydrophobicContact CE2-CD2 4.38Å; Y252-L419 WeakPolarHBondContact OH-CD2 3.29Å
253	Y	87.4	Confident	87.8	Confident	15 Å²	15	48.8 Å²	48.8	6%	0.059	24%	0.241	C	C	.	.	H	α-helix	trans	-58.7	-43.8	172	169.1	-84	0	0	0	112.3	L249 K250 L255 L256 Q257 L297 I300 N509 L513	L249-Y253 VanDerWaalsContact O-CB 3.26Å; L249-Y253 WeakPolarHBondContact O-CB 3.33Å; L249-Y253 PolarHBondContact O-N 3.1Å; K250-Y253 WeakPolarHBondContact O-CB 3.41Å; K250-Y253 PolarHBondContact O-N 3.33Å; K250-Y253 VanDerWaalsContact O-N 3.17Å; Y253-L255 VanDerWaalsContact C-N 3.29Å; Y253-L255 PolarHBondContact O-N 3.33Å; Y253-L256 WeakPolarHBondContact O-CB 3.3Å; Y253-L256 PolarHBondContact O-N 3.42Å; Y253-Q257 PolarHBondContact O-N 2.98Å; Y253-L297 HydrophobicContact CD2-CD2 3.88Å; Y253-L297 HydrophobicContact CE2-CD2 4.02Å; Y253-I300 HydrophobicContact CD2-CD1 4.41Å; Y253-N509 VanDerWaalsContact OH-CB 3.3Å; Y253-N509 WeakPolarHBondContact OH-CB 3.38Å; Y253-N509 PolarHBondContact OH-ND2 2.87Å; Y253-L513 HydrophobicContact CD1-CD1 4.34Å; Y253-L513 HydrophobicContact CD1-CD2 3.73Å; Y253-L513 HydrophobicContact CD1-CG 4.31Å; Y253-L513 HydrophobicContact CD2-CD2 4.2Å; Y253-L513 HydrophobicContact CE1-CD1 3.7Å; Y253-L513 HydrophobicContact CE1-CD2 3.91Å; Y253-L513 HydrophobicContact CE1-CG 3.98Å; Y253-L513 HydrophobicContact CE2-CD2 4.33Å; Y253-L513 HydrophobicContact CE2-CG 4.19Å; Y253-L513 HydrophobicContact CG-CD2 3.92Å
254	D	87.7	Confident	88.2	Confident	59 Å²	59	47.7 Å²	47.7	32%	0.316	24%	0.238	S	C	.	.	H	α-helix	trans	-66.7	-32.1	179.8	-63.9	-33.9	0	0	0	111.3	K250 A251 Y252 Q257 T258 L523	K250-D254 WeakPolarHBondContact CE-OD2 3.48Å; K250-D254 VanDerWaalsContact O-CG 3.26Å; K250-D254 PolarHBondContact O-N 3.2Å; A251-D254 PolarHBondContact O-N 3.08Å; Y252-D254 VanDerWaalsContact C-N 3.34Å; Y252-D254 PolarHBondContact O-N 2.89Å; D254-Q257 PolarHBondContact O-N 2.86Å; D254-T258 PolarHBondContact O-N 3.22Å; D254-T258 VanDerWaalsContact O-N 3.12Å; D254-T258 PolarHBondContact O-OG1 3.24Å; D254-T258 VanDerWaalsContact O-OG1 3.05Å; D254-L523 WeakPolarHBondContact OD2-CD1 3.46Å
255	L	88.4	Confident	88.6	Confident	68 Å²	68	45.7 Å²	45.7	36%	0.356	24%	0.235	S	C	.	.	H	α-helix	trans	-65.2	-43.8	169.4	177.1	63.1	0	0	0	112.4	A251 Y252 Y253 Q257 T258 Y259	A251-L255 PolarHBondContact O-N 3.45Å; Y252-L255 HydrophobicContact CD2-CD2 4.35Å; Y252-L255 HydrophobicContact CE2-CD2 4.47Å; Y252-L255 WeakPolarHBondContact O-CB 3.36Å; Y252-L255 PolarHBondContact O-N 3.34Å; Y253-L255 VanDerWaalsContact C-N 3.29Å; Y253-L255 PolarHBondContact O-N 3.33Å; L255-Q257 VanDerWaalsContact C-N 3.29Å; L255-Q257 PolarHBondContact O-N 3.1Å; L255-T258 CarbonylContact O-C 3.52Å; L255-T258 WeakPolarHBondContact O-CA 3.45Å; L255-T258 VanDerWaalsContact O-CB 3.23Å; L255-T258 WeakPolarHBondContact O-CB 3.41Å; L255-T258 PolarHBondContact O-N 2.84Å; L255-Y259 HydrophobicContact CD1-CD1 4.46Å; L255-Y259 HydrophobicContact CD1-CE1 3.83Å; L255-Y259 HydrophobicContact CD1-CE2 4.43Å; L255-Y259 HydrophobicContact CD2-CE2 4.32Å; L255-Y259 HydrophobicContact CG-CE1 4.28Å; L255-Y259 HydrophobicContact CG-CE2 3.97Å; L255-Y259 PolarHBondContact O-N 3.05Å
256	L	89.3	Confident	89	Confident	1 Å²	1	47 Å²	47	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-37.1	175.7	-62.6	177.3	0	0	0	112.4	Y252 Y253 T258 Y259 K260 E293 L297 I300	Y252-L256 HydrophobicContact CD1-CD1 4.22Å; Y252-L256 HydrophobicContact CD1-CG 4.47Å; Y252-L256 HydrophobicContact CE1-CD1 3.81Å; Y252-L256 HydrophobicContact CE1-CD2 4.14Å; Y252-L256 HydrophobicContact CE1-CG 4.08Å; Y252-L256 HydrophobicContact CE2-CD2 4.49Å; Y252-L256 WeakPolarHBondContact O-CG 3.36Å; Y252-L256 PolarHBondContact O-N 3Å; Y253-L256 WeakPolarHBondContact O-CB 3.3Å; Y253-L256 PolarHBondContact O-N 3.42Å; L256-T258 VanDerWaalsContact C-N 3.25Å; L256-T258 PolarHBondContact O-N 2.73Å; L256-Y259 HydrophobicContact CD2-CD2 3.98Å; L256-Y259 HydrophobicContact CD2-CE2 4.32Å; L256-Y259 PolarHBondContact O-N 3.01Å; L256-K260 PolarHBondContact O-N 3.29Å; L256-E293 HydrophobicContact CB-CG 4.33Å; L256-L297 HydrophobicContact CD1-CD2 4.14Å; L256-L297 HydrophobicContact CD1-CG 4.11Å; L256-I300 HydrophobicContact CD1-CD1 3.57Å
257	Q	89.7	Confident	89.4	Confident	63 Å²	63	43.9 Å²	43.9	29%	0.294	23%	0.231	S	C	.	.	H	α-helix	trans	-67.3	-28.1	174.5	-173	54.4	85.8	0	0	112	Y253 D254 L255 S261 N509	Y253-Q257 PolarHBondContact O-N 2.98Å; D254-Q257 PolarHBondContact O-N 2.86Å; L255-Q257 VanDerWaalsContact C-N 3.29Å; L255-Q257 PolarHBondContact O-N 3.1Å; Q257-S261 PolarHBondContact O-N 3.4Å; Q257-S261 PolarHBondContact O-OG 3.47Å; Q257-N509 PolarHBondContact OE1-ND2 3.22Å; Q257-N509 VanDerWaalsContact OE1-ND2 3.16Å
258	T	90.8	Very high	89.8	Confident	67 Å²	67	47.6 Å²	47.6	41%	0.411	25%	0.251	S	S	.	.	H	α-helix	trans	-69	-47.8	168.4	-56.2	0	0	0	0	111.5	D254 L255 L256 K260 S261 F262	D254-T258 PolarHBondContact O-N 3.22Å; D254-T258 VanDerWaalsContact O-N 3.12Å; D254-T258 PolarHBondContact O-OG1 3.24Å; D254-T258 VanDerWaalsContact O-OG1 3.05Å; L255-T258 CarbonylContact O-C 3.52Å; L255-T258 WeakPolarHBondContact O-CA 3.45Å; L255-T258 VanDerWaalsContact O-CB 3.23Å; L255-T258 WeakPolarHBondContact O-CB 3.41Å; L255-T258 PolarHBondContact O-N 2.84Å; L256-T258 VanDerWaalsContact C-N 3.25Å; L256-T258 PolarHBondContact O-N 2.73Å; T258-K260 VanDerWaalsContact C-N 3.33Å; T258-K260 PolarHBondContact O-N 3.46Å; T258-S261 WeakPolarHBondContact O-CA 3.3Å; T258-S261 WeakPolarHBondContact O-CB 3.24Å; T258-S261 PolarHBondContact O-N 3.45Å; T258-F262 HydrophobicContact CG2-CD2 3.96Å; T258-F262 HydrophobicContact CG2-CE2 3.76Å; T258-F262 WeakPolarHBondContact O-CD2 3.49Å; T258-F262 PolarHBondContact O-N 2.97Å
259	Y	90.5	Very high	90	Very high	40 Å²	40	47.5 Å²	47.5	16%	0.157	25%	0.251	C	S	.	.	H	α-helix	trans	-57.1	-43.7	175.6	-64.8	-29.1	0	0	0	112.5	L255 L256 S261 F262 G263 H289 L292	L255-Y259 HydrophobicContact CD1-CD1 4.46Å; L255-Y259 HydrophobicContact CD1-CE1 3.83Å; L255-Y259 HydrophobicContact CD1-CE2 4.43Å; L255-Y259 HydrophobicContact CD2-CE2 4.32Å; L255-Y259 HydrophobicContact CG-CE1 4.28Å; L255-Y259 HydrophobicContact CG-CE2 3.97Å; L255-Y259 PolarHBondContact O-N 3.05Å; L256-Y259 HydrophobicContact CD2-CD2 3.98Å; L256-Y259 HydrophobicContact CD2-CE2 4.32Å; L256-Y259 PolarHBondContact O-N 3.01Å; Y259-S261 VanDerWaalsContact C-N 3.26Å; Y259-S261 PolarHBondContact O-N 3.45Å; Y259-F262 WeakPolarHBondContact O-CB 3.47Å; Y259-F262 PolarHBondContact O-N 2.8Å; Y259-G263 PolarHBondContact O-N 3.33Å; Y259-H289 WeakPolarHBondContact O-CB 3.43Å; Y259-L292 HydrophobicContact CD1-CD1 4.28Å; Y259-L292 HydrophobicContact CD2-CB 3.7Å; Y259-L292 HydrophobicContact CD2-CD1 3.88Å; Y259-L292 HydrophobicContact CD2-CG 4.45Å; Y259-L292 HydrophobicContact CE1-CD1 4.48Å; Y259-L292 HydrophobicContact CE2-CB 4.32Å; Y259-L292 HydrophobicContact CE2-CD1 4.09Å; Y259-L292 HydrophobicContact CG-CB 4.23Å; Y259-L292 HydrophobicContact CG-CD1 3.98Å
260	K	91.3	Very high	90.3	Very high	28 Å²	28	47.8 Å²	47.8	12%	0.122	25%	0.253	C	S	.	.	H	α-helix	trans	-56.3	-40.5	172.9	172.4	159	171.1	-176.8	0	112.9	L256 T258 G263 D264 E293 S505	L256-K260 PolarHBondContact O-N 3.29Å; T258-K260 VanDerWaalsContact C-N 3.33Å; T258-K260 PolarHBondContact O-N 3.46Å; K260-G263 PolarHBondContact O-N 3.01Å; K260-D264 PolarHBondContact O-N 3.42Å; K260-E293 HydrophobicContact CB-CB 4.18Å; K260-E293 HydrophobicContact CB-CG 4.06Å; K260-E293 HydrophobicContact CD-CG 4.1Å; K260-E293 WeakPolarHBondContact CD-OE1 3.42Å; K260-E293 IonicContact NZ-OE1 3.16Å; K260-E293 PolarHBondContact NZ-OE1 3.27Å; K260-S505 PolarHBondContact NZ-OG 2.89Å
261	S	93.1	Very high	90.6	Very high	65 Å²	65	51.8 Å²	51.8	46%	0.455	28%	0.279	S	S	.	.	H	α-helix	trans	-67.6	-39.8	178.8	-53.1	0	0	0	0	112.2	Q257 T258 Y259 C265	Q257-S261 PolarHBondContact O-N 3.4Å; Q257-S261 PolarHBondContact O-OG 3.47Å; T258-S261 WeakPolarHBondContact O-CA 3.3Å; T258-S261 WeakPolarHBondContact O-CB 3.24Å; T258-S261 PolarHBondContact O-N 3.45Å; Y259-S261 VanDerWaalsContact C-N 3.26Å; Y259-S261 PolarHBondContact O-N 3.45Å; S261-C265 WeakPolarHBondContact O-CB 3.11Å; S261-C265 PolarHBondContact O-N 3.05Å
262	F	92.3	Very high	90.7	Very high	101 Å²	101	57 Å²	57	44%	0.443	30%	0.295	S	S	.	.	H	α-helix	trans	-60.6	-46.9	168.5	-82.9	-71.5	0	0	0	111.5	T258 Y259 D264 C265 F266	T258-F262 HydrophobicContact CG2-CD2 3.96Å; T258-F262 HydrophobicContact CG2-CE2 3.76Å; T258-F262 WeakPolarHBondContact O-CD2 3.49Å; T258-F262 PolarHBondContact O-N 2.97Å; Y259-F262 WeakPolarHBondContact O-CB 3.47Å; Y259-F262 PolarHBondContact O-N 2.8Å; F262-D264 VanDerWaalsContact C-N 3.3Å; F262-D264 PolarHBondContact O-N 3.32Å; F262-C265 PolarHBondContact O-N 3.11Å; F262-C265 VanDerWaalsContact O-N 3.11Å; F262-F266 HydrophobicContact CB-CD2 4.24Å; F262-F266 HydrophobicContact CB-CE2 4Å; F262-F266 AromaticContact CD1-CE2 4Å; F262-F266 HydrophobicContact CD1-CE2 4Å; F262-F266 HydrophobicContact CD1-CZ 4.29Å; F262-F266 HydrophobicContact CG-CE2 4.41Å; F262-F266 WeakPolarHBondContact O-CD2 3.39Å; F262-F266 PolarHBondContact O-N 3.05Å
263	G	92.7	Very high	90.7	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.2	-37.2	180	0	0	0	0	0	113.8	Y259 K260 T267 G286	Y259-G263 PolarHBondContact O-N 3.33Å; K260-G263 PolarHBondContact O-N 3.01Å; G263-T267 WeakPolarHBondContact O-CB 3.45Å; G263-T267 PolarHBondContact O-N 3.41Å; G263-T267 PolarHBondContact O-OG1 3.03Å; G263-G286 WeakPolarHBondContact O-CA 3.44Å
264	D	92.8	Very high	90.6	Very high	52 Å²	52	60.2 Å²	60.2	28%	0.278	32%	0.321	S	S	.	.	H	α-helix	trans	-68.3	-42.3	172.2	-71.8	-25.3	0	0	0	112	K260 F262 T267 Q268 R290	K260-D264 PolarHBondContact O-N 3.42Å; F262-D264 VanDerWaalsContact C-N 3.3Å; F262-D264 PolarHBondContact O-N 3.32Å; D264-T267 PolarHBondContact O-N 2.89Å; D264-Q268 WeakPolarHBondContact O-CG 3.5Å; D264-Q268 PolarHBondContact O-N 3.32Å; D264-R290 IonicContact OD1-CZ 2.73Å; D264-R290 IonicContact OD1-NE 3.89Å; D264-R290 PolarHBondContact OD1-NE 3.38Å; D264-R290 IonicContact OD1-NH2 3.09Å; D264-R290 PolarHBondContact OD1-NH2 2.95Å
265	C	93.6	Very high	90.5	Very high	61 Å²	61	59.2 Å²	59.2	41%	0.412	32%	0.315	S	S	.	.	H	α-helix	trans	-63.9	-50.8	177	-172.8	0	0	0	0	112.6	S261 F262 T267 Q268 I269	S261-C265 WeakPolarHBondContact O-CB 3.11Å; S261-C265 PolarHBondContact O-N 3.05Å; F262-C265 PolarHBondContact O-N 3.11Å; F262-C265 VanDerWaalsContact O-N 3.11Å; C265-T267 PolarHBondContact O-N 3.18Å; C265-Q268 WeakPolarHBondContact O-CB 3.43Å; C265-Q268 PolarHBondContact O-N 2.89Å; C265-I269 WeakPolarHBondContact O-CG1 3.48Å; C265-I269 PolarHBondContact O-N 2.59Å
266	F	93.1	Very high	90.4	Very high	35 Å²	35	62.1 Å²	62.1	15%	0.154	33%	0.326	C	S	.	.	H	α-helix	trans	-59.9	-34.4	176.6	-68.8	-55.6	0	0	0	112.2	F262 I269 S270 F282 F285 H289	F262-F266 HydrophobicContact CB-CD2 4.24Å; F262-F266 HydrophobicContact CB-CE2 4Å; F262-F266 AromaticContact CD1-CE2 4Å; F262-F266 HydrophobicContact CD1-CE2 4Å; F262-F266 HydrophobicContact CD1-CZ 4.29Å; F262-F266 HydrophobicContact CG-CE2 4.41Å; F262-F266 WeakPolarHBondContact O-CD2 3.39Å; F262-F266 PolarHBondContact O-N 3.05Å; F266-I269 HydrophobicContact CD1-CD1 4.42Å; F266-I269 PolarHBondContact O-N 3.5Å; F266-S270 WeakPolarHBondContact O-CB 3.26Å; F266-S270 PolarHBondContact O-N 3.39Å; F266-F282 WeakPolarHBondContact CB-O 3.5Å; F266-F282 AromaticContact CD1-CD1 3.89Å; F266-F282 HydrophobicContact CD1-CD1 3.89Å; F266-F282 HydrophobicContact CD1-CE1 4.46Å; F266-F282 HydrophobicContact CE1-CD1 4.45Å; F266-F285 HydrophobicContact CB-CB 4.35Å; F266-F285 HydrophobicContact CD2-CB 3.96Å; F266-F285 HydrophobicContact CE2-CB 4.36Å; F266-F285 HydrophobicContact CG-CB 4.05Å; F266-H289 AromaticContact CD2-ND1 3.87Å; F266-H289 AromaticContact CE2-CE1 3.53Å; F266-H289 AromaticContact CE2-ND1 3.8Å; F266-H289 AromaticContact CE2-NE2 3.99Å
267	T	92.8	Very high	90.2	Very high	33 Å²	33	66.7 Å²	66.7	20%	0.202	34%	0.343	C	S	.	.	H	α-helix	trans	-66.6	-37.5	173.2	-56.1	0	0	0	0	112.5	G263 D264 C265 V271 R290	G263-T267 WeakPolarHBondContact O-CB 3.45Å; G263-T267 PolarHBondContact O-N 3.41Å; G263-T267 PolarHBondContact O-OG1 3.03Å; D264-T267 PolarHBondContact O-N 2.89Å; C265-T267 PolarHBondContact O-N 3.18Å; T267-V271 WeakPolarHBondContact O-CG2 3.44Å; T267-V271 PolarHBondContact O-N 2.65Å; T267-R290 PolarHBondContact OG1-NH1 3.39Å; T267-R290 PolarHBondContact OG1-NH2 2.68Å
268	Q	92.8	Very high	90	Very high	126 Å²	126	63.7 Å²	63.7	59%	0.589	33%	0.33	S	S	*	.	H	α-helix	trans	-67.1	-42.8	175.7	-71.3	170.9	4.6	0	0	111.4	D264 C265 V271 H272	D264-Q268 WeakPolarHBondContact O-CG 3.5Å; D264-Q268 PolarHBondContact O-N 3.32Å; C265-Q268 WeakPolarHBondContact O-CB 3.43Å; C265-Q268 PolarHBondContact O-N 2.89Å; Q268-V271 PolarHBondContact O-N 3.14Å; Q268-H272 PolarHBondContact O-CD2 3.5Å; Q268-H272 PolarHBondContact O-N 2.93Å
269	I	89.7	Confident	90	Very high	64 Å²	64	61.7 Å²	61.7	33%	0.328	32%	0.318	S	S	.	.	H	α-helix	trans	-59.7	-50.8	174.9	-61.5	167.1	0	0	0	109.6	C265 F266 V271 H272 E273 F282	C265-I269 WeakPolarHBondContact O-CG1 3.48Å; C265-I269 PolarHBondContact O-N 2.59Å; F266-I269 HydrophobicContact CD1-CD1 4.42Å; F266-I269 PolarHBondContact O-N 3.5Å; I269-V271 VanDerWaalsContact C-N 3.26Å; I269-V271 PolarHBondContact O-N 3.42Å; I269-V271 VanDerWaalsContact O-N 3.16Å; I269-H272 CarbonylContact O-C 3.52Å; I269-H272 PolarHBondContact O-N 3.28Å; I269-E273 WeakPolarHBondContact O-CB 3.3Å; I269-E273 PolarHBondContact O-N 2.8Å; I269-F282 HydrophobicContact CB-CD2 4.41Å; I269-F282 HydrophobicContact CB-CG 4.35Å; I269-F282 HydrophobicContact CG2-CB 4.46Å; I269-F282 HydrophobicContact CG2-CD1 4.25Å; I269-F282 HydrophobicContact CG2-CD2 3.45Å; I269-F282 VanDerWaalsContact CG2-CD2 3.45Å; I269-F282 HydrophobicContact CG2-CE1 4.36Å; I269-F282 HydrophobicContact CG2-CE2 3.59Å; I269-F282 HydrophobicContact CG2-CG 3.82Å; I269-F282 HydrophobicContact CG2-CZ 4.05Å
270	S	90.3	Very high	89.9	Confident	9 Å²	9	62.8 Å²	62.8	6%	0.063	33%	0.325	C	S	.	.	H	α-helix	trans	-50.3	-40.4	177.5	174.7	0	0	0	0	114.2	F266 H272 S279 R283	F266-S270 WeakPolarHBondContact O-CB 3.26Å; F266-S270 PolarHBondContact O-N 3.39Å; S270-H272 VanDerWaalsContact C-N 3.32Å; S270-S279 WeakPolarHBondContact CB-O 3.28Å; S270-S279 PolarHBondContact O-OG 3.48Å; S270-S279 PolarHBondContact OG-O 2.9Å; S270-S279 PolarHBondContact OG-OG 3.05Å; S270-R283 WeakPolarHBondContact OG-CB 3.34Å
271	V	91.2	Very high	89.8	Confident	109 Å²	109	61.5 Å²	61.5	66%	0.661	32%	0.32	S	S	*	.	H	α-helix	trans	-75.6	-19	-179.7	169.8	0	0	0	0	113.1	T267 Q268 I269	T267-V271 WeakPolarHBondContact O-CG2 3.44Å; T267-V271 PolarHBondContact O-N 2.65Å; Q268-V271 PolarHBondContact O-N 3.14Å; I269-V271 VanDerWaalsContact C-N 3.26Å; I269-V271 PolarHBondContact O-N 3.42Å; I269-V271 VanDerWaalsContact O-N 3.16Å
272	H	88.5	Confident	89.7	Confident	155 Å²	155	59.9 Å²	59.9	72%	0.718	30%	0.304	S	S	*	.	H	α-helix	trans	-106.3	-15.5	-179.9	-68.4	-47.7	0	0	0	114.3	Q268 I269 S270 P274	Q268-H272 PolarHBondContact O-CD2 3.5Å; Q268-H272 PolarHBondContact O-N 2.93Å; I269-H272 CarbonylContact O-C 3.52Å; I269-H272 PolarHBondContact O-N 3.28Å; S270-H272 VanDerWaalsContact C-N 3.32Å; H272-P274 WeakPolarHBondContact O-CD 3.41Å
273	E	85.8	Confident	89.6	Confident	30 Å²	30	59.6 Å²	59.6	14%	0.14	30%	0.3	C	S	.	.			trans	-71.4	117.7	-177.7	-179.3	44.5	-118.8	0	0	112.3	I269 Q275 A278 F282	I269-E273 WeakPolarHBondContact O-CB 3.3Å; I269-E273 PolarHBondContact O-N 2.8Å; E273-Q275 WeakPolarHBondContact OE1-CB 3.48Å; E273-Q275 PolarHBondContact OE1-N 3.26Å; E273-A278 HydrophobicContact CG-CB 3.59Å; E273-F282 HydrophobicContact CB-CD2 4.48Å; E273-F282 HydrophobicContact CG-CD2 4.26Å; E273-F282 HydrophobicContact CG-CE2 4.34Å
274	P	86.2	Confident	89.5	Confident	98 Å²	98	60.4 Å²	60.4	64%	0.636	31%	0.305	S	S	*	.	S	Bend	trans	-68.6	-29.7	178.7	-22	35	0	0	0	114.7	H272 Q276	H272-P274 WeakPolarHBondContact O-CD 3.41Å; P274-Q276 PolarHBondContact O-N 3.1Å
275	Q	86	Confident	89.3	Confident	39 Å²	39	59.2 Å²	59.2	18%	0.182	30%	0.298	C	S	.	.	S	Bend	trans	-82.8	112.4	-176.4	-169.6	173.2	4.6	0	0	110.7	E273 R277 A278 S279 E437	E273-Q275 WeakPolarHBondContact OE1-CB 3.48Å; E273-Q275 PolarHBondContact OE1-N 3.26Å; Q275-R277 VanDerWaalsContact C-N 3.27Å; Q275-R277 PolarHBondContact O-N 2.82Å; Q275-R277 VanDerWaalsContact O-N 3.1Å; Q275-A278 HydrophobicContact CB-CB 4.24Å; Q275-A278 PolarHBondContact O-N 3.11Å; Q275-S279 PolarHBondContact O-N 2.6Å; Q275-E437 PolarHBondContact NE2-OE2 3.18Å; Q275-E437 VanDerWaalsContact OE1-C 3.27Å; Q275-E437 VanDerWaalsContact OE1-CB 3.27Å; Q275-E437 PolarHBondContact OE1-O 3.2Å; Q275-E437 VanDerWaalsContact OE1-O 3.13Å
276	Q	86.3	Confident	89.2	Confident	128 Å²	128	56.3 Å²	56.3	60%	0.598	28%	0.278	S	S	*	.	H	α-helix	trans	-49.2	-42.7	-175.2	-174.8	67.8	30.4	0	0	113.7	P274 S279 E280	P274-Q276 PolarHBondContact O-N 3.1Å; Q276-S279 PolarHBondContact O-N 2.68Å; Q276-E280 PolarHBondContact NE2-OE1 3.32Å; Q276-E280 WeakPolarHBondContact O-CB 3.45Å; Q276-E280 WeakPolarHBondContact O-CG 3.45Å; Q276-E280 PolarHBondContact O-N 3.48Å
277	R	84	Confident	89.2	Confident	97 Å²	97	59.1 Å²	59.1	37%	0.366	29%	0.292	S	S	.	.	H	α-helix	trans	-62.8	-45.6	178.5	-175.5	-176.9	178.6	-178.4	2.7	112.1	Q275 E280 A281 L433 F434 P435	Q275-R277 VanDerWaalsContact C-N 3.27Å; Q275-R277 PolarHBondContact O-N 2.82Å; Q275-R277 VanDerWaalsContact O-N 3.1Å; R277-E280 PolarHBondContact O-N 3.01Å; R277-A281 PolarHBondContact O-N 3.49Å; R277-L433 PolarHBondContact NH2-O 3.08Å; R277-F434 VanDerWaalsContact NH2-C 3.25Å; R277-F434 PolarHBondContact NH2-O 3.31Å; R277-P435 PolarHBondContact NE-O 3.06Å; R277-P435 PolarHBondContact NH1-O 2.95Å; R277-P435 PolarHBondContact NH2-O 3.04Å
278	A	87.1	Confident	89.1	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.008	29%	0.288	C	S	.	.	H	α-helix	trans	-69.3	-41.8	178.2	0	0	0	0	0	111.2	E273 Q275 E280 A281 F282 I436 E437	E273-A278 HydrophobicContact CG-CB 3.59Å; Q275-A278 HydrophobicContact CB-CB 4.24Å; Q275-A278 PolarHBondContact O-N 3.11Å; A278-E280 VanDerWaalsContact C-N 3.3Å; A278-E280 PolarHBondContact O-N 3.38Å; A278-A281 PolarHBondContact O-N 3.45Å; A278-A281 VanDerWaalsContact O-N 3.17Å; A278-F282 HydrophobicContact CB-CD2 4.31Å; A278-F282 HydrophobicContact CB-CE2 4.07Å; A278-F282 WeakPolarHBondContact O-CB 3.38Å; A278-F282 WeakPolarHBondContact O-CD2 3.35Å; A278-F282 WeakPolarHBondContact O-CG 3.22Å; A278-F282 PolarHBondContact O-N 3.19Å; A278-I436 HydrophobicContact CB-CG2 3.92Å; A278-E437 WeakPolarHBondContact CB-O 3.24Å
279	S	89.3	Confident	89	Confident	24 Å²	24	53.6 Å²	53.6	17%	0.168	26%	0.263	C	S	.	.	H	α-helix	trans	-55.3	-43.8	172.2	179.5	0	0	0	0	111.9	S270 Q275 Q276 R283	S270-S279 WeakPolarHBondContact CB-O 3.28Å; S270-S279 PolarHBondContact O-OG 3.48Å; S270-S279 PolarHBondContact OG-O 2.9Å; S270-S279 PolarHBondContact OG-OG 3.05Å; Q275-S279 PolarHBondContact O-N 2.6Å; Q276-S279 PolarHBondContact O-N 2.68Å; S279-R283 VanDerWaalsContact O-CB 3.31Å; S279-R283 WeakPolarHBondContact O-CB 3.31Å; S279-R283 PolarHBondContact O-N 3.21Å
280	E	88.7	Confident	89.1	Confident	63 Å²	63	54.1 Å²	54.1	29%	0.294	26%	0.261	S	S	.	.	H	α-helix	trans	-69	-37.2	176	-76.4	174.3	-162.6	0	0	113.5	Q276 R277 A278 T284	Q276-E280 PolarHBondContact NE2-OE1 3.32Å; Q276-E280 WeakPolarHBondContact O-CB 3.45Å; Q276-E280 WeakPolarHBondContact O-CG 3.45Å; Q276-E280 PolarHBondContact O-N 3.48Å; R277-E280 PolarHBondContact O-N 3.01Å; A278-E280 VanDerWaalsContact C-N 3.3Å; A278-E280 PolarHBondContact O-N 3.38Å; E280-T284 WeakPolarHBondContact O-CB 3.3Å; E280-T284 PolarHBondContact O-N 3.43Å; E280-T284 PolarHBondContact O-OG1 3.14Å
281	A	88.4	Confident	89.1	Confident	2 Å²	2	55.3 Å²	55.3	2%	0.017	27%	0.268	C	S	.	.	H	α-helix	trans	-65.2	-51.8	174.5	0	0	0	0	0	111.6	R277 A278 R283 T284 F285 L433 I436	R277-A281 PolarHBondContact O-N 3.49Å; A278-A281 PolarHBondContact O-N 3.45Å; A278-A281 VanDerWaalsContact O-N 3.17Å; A281-R283 VanDerWaalsContact C-N 3.3Å; A281-R283 PolarHBondContact O-N 3.22Å; A281-T284 WeakPolarHBondContact O-CA 3.46Å; A281-T284 WeakPolarHBondContact O-CB 3.4Å; A281-T284 PolarHBondContact O-N 2.91Å; A281-F285 HydrophobicContact CB-CE2 4.42Å; A281-F285 VanDerWaalsContact O-CD2 3.23Å; A281-F285 WeakPolarHBondContact O-CD2 3.25Å; A281-F285 PolarHBondContact O-N 3.13Å; A281-L433 HydrophobicContact CB-CB 4.18Å; A281-L433 HydrophobicContact CB-CD1 4.25Å; A281-L433 HydrophobicContact CB-CD2 4.05Å; A281-L433 HydrophobicContact CB-CG 4.38Å; A281-I436 HydrophobicContact CB-CD1 3.9Å; A281-I436 HydrophobicContact CB-CG1 4.23Å
282	F	91.2	Very high	88.9	Confident	30 Å²	30	50.5 Å²	50.5	13%	0.132	24%	0.238	C	C	.	.	H	α-helix	trans	-61.4	-35.3	176	-66.6	-52.4	0	0	0	112.5	F266 I269 E273 A278 T284 G286 I436 V438	F266-F282 WeakPolarHBondContact CB-O 3.5Å; F266-F282 AromaticContact CD1-CD1 3.89Å; F266-F282 HydrophobicContact CD1-CD1 3.89Å; F266-F282 HydrophobicContact CD1-CE1 4.46Å; F266-F282 HydrophobicContact CE1-CD1 4.45Å; I269-F282 HydrophobicContact CB-CD2 4.41Å; I269-F282 HydrophobicContact CB-CG 4.35Å; I269-F282 HydrophobicContact CG2-CB 4.46Å; I269-F282 HydrophobicContact CG2-CD1 4.25Å; I269-F282 HydrophobicContact CG2-CD2 3.45Å; I269-F282 VanDerWaalsContact CG2-CD2 3.45Å; I269-F282 HydrophobicContact CG2-CE1 4.36Å; I269-F282 HydrophobicContact CG2-CE2 3.59Å; I269-F282 HydrophobicContact CG2-CG 3.82Å; I269-F282 HydrophobicContact CG2-CZ 4.05Å; E273-F282 HydrophobicContact CB-CD2 4.48Å; E273-F282 HydrophobicContact CG-CD2 4.26Å; E273-F282 HydrophobicContact CG-CE2 4.34Å; A278-F282 HydrophobicContact CB-CD2 4.31Å; A278-F282 HydrophobicContact CB-CE2 4.07Å; A278-F282 WeakPolarHBondContact O-CB 3.38Å; A278-F282 WeakPolarHBondContact O-CD2 3.35Å; A278-F282 WeakPolarHBondContact O-CG 3.22Å; A278-F282 PolarHBondContact O-N 3.19Å; F282-T284 VanDerWaalsContact C-N 3.34Å; F282-G286 PolarHBondContact O-N 3.22Å; F282-I436 HydrophobicContact CZ-CG2 4.41Å; F282-V438 HydrophobicContact CE2-CG2 4.38Å; F282-V438 HydrophobicContact CZ-CG2 4.32Å
283	R	90.8	Very high	89	Confident	95 Å²	95	44 Å²	44	36%	0.358	21%	0.208	S	C	.	.	H	α-helix	trans	-60.3	-46.2	171.1	-171.2	-170.9	53.3	61.5	16.7	111	S270 S279 A281 G286 E287	S270-R283 WeakPolarHBondContact OG-CB 3.34Å; S279-R283 VanDerWaalsContact O-CB 3.31Å; S279-R283 WeakPolarHBondContact O-CB 3.31Å; S279-R283 PolarHBondContact O-N 3.21Å; A281-R283 VanDerWaalsContact C-N 3.3Å; A281-R283 PolarHBondContact O-N 3.22Å; R283-G286 PolarHBondContact O-N 2.69Å; R283-E287 WeakPolarHBondContact CG-OE1 3.27Å; R283-E287 IonicContact CZ-OE1 2.79Å; R283-E287 IonicContact NH1-OE1 3.7Å; R283-E287 PolarHBondContact NH1-OE1 2.88Å; R283-E287 IonicContact NH1-OE2 2.69Å; R283-E287 PolarHBondContact NH1-OE2 2.79Å; R283-E287 WeakPolarHBondContact O-CG 3.34Å; R283-E287 PolarHBondContact O-N 3.29Å
284	T	89.9	Confident	89.2	Confident	18 Å²	18	48.4 Å²	48.4	11%	0.11	23%	0.227	C	C	.	.	H	α-helix	trans	-66.5	-44.3	-177.3	-56	0	0	0	0	111.4	E280 A281 F282 G286 E287 F288 L430 L433	E280-T284 WeakPolarHBondContact O-CB 3.3Å; E280-T284 PolarHBondContact O-N 3.43Å; E280-T284 PolarHBondContact O-OG1 3.14Å; A281-T284 WeakPolarHBondContact O-CA 3.46Å; A281-T284 WeakPolarHBondContact O-CB 3.4Å; A281-T284 PolarHBondContact O-N 2.91Å; F282-T284 VanDerWaalsContact C-N 3.34Å; T284-G286 VanDerWaalsContact C-N 3.32Å; T284-G286 PolarHBondContact O-N 3.19Å; T284-E287 PolarHBondContact O-N 2.93Å; T284-F288 WeakPolarHBondContact O-CB 3.46Å; T284-F288 PolarHBondContact O-N 3.28Å; T284-L430 HydrophobicContact CG2-CD2 4.05Å; T284-L433 HydrophobicContact CG2-CD1 4.19Å
285	F	90.1	Very high	89.3	Confident	26 Å²	26	45.7 Å²	45.7	11%	0.114	21%	0.207	C	C	.	.	H	α-helix	trans	-61.5	-39.6	170.4	-66.4	-55.9	0	0	0	112.3	F266 A281 F288 H289 L433 F434 I436	F266-F285 HydrophobicContact CB-CB 4.35Å; F266-F285 HydrophobicContact CD2-CB 3.96Å; F266-F285 HydrophobicContact CE2-CB 4.36Å; F266-F285 HydrophobicContact CG-CB 4.05Å; A281-F285 HydrophobicContact CB-CE2 4.42Å; A281-F285 VanDerWaalsContact O-CD2 3.23Å; A281-F285 WeakPolarHBondContact O-CD2 3.25Å; A281-F285 PolarHBondContact O-N 3.13Å; F285-F288 PolarHBondContact O-N 3.24Å; F285-H289 WeakPolarHBondContact O-CB 3.48Å; F285-H289 PolarHBondContact O-N 3.1Å; F285-H289 PolarHBondContact O-ND1 3.22Å; F285-L433 HydrophobicContact CD1-CD1 4.15Å; F285-L433 HydrophobicContact CD2-CD1 4.21Å; F285-L433 HydrophobicContact CE1-CD1 3.71Å; F285-L433 HydrophobicContact CE2-CD1 3.79Å; F285-L433 HydrophobicContact CG-CD1 4.38Å; F285-L433 HydrophobicContact CZ-CB 4.47Å; F285-L433 HydrophobicContact CZ-CD1 3.52Å; F285-F434 AromaticContact CZ-CE2 3.98Å; F285-F434 HydrophobicContact CZ-CE2 3.98Å; F285-F434 AromaticContact CZ-CZ 3.87Å; F285-F434 HydrophobicContact CZ-CZ 3.87Å; F285-I436 HydrophobicContact CE2-CD1 3.63Å; F285-I436 HydrophobicContact CZ-CD1 4.21Å
286	G	91.9	Very high	89.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60	-44.4	176.6	0	0	0	0	0	113.3	G263 F282 R283 T284 R290	G263-G286 WeakPolarHBondContact O-CA 3.44Å; F282-G286 PolarHBondContact O-N 3.22Å; R283-G286 PolarHBondContact O-N 2.69Å; T284-G286 VanDerWaalsContact C-N 3.32Å; T284-G286 PolarHBondContact O-N 3.19Å; G286-R290 WeakPolarHBondContact O-CB 3.47Å; G286-R290 WeakPolarHBondContact O-CG 3.29Å; G286-R290 PolarHBondContact O-N 3Å
287	E	91.8	Very high	89.5	Confident	94 Å²	94	38.3 Å²	38.3	44%	0.439	17%	0.173	S	C	.	.	H	α-helix	trans	-70.3	-40.1	176	-73.5	169.3	-161.9	0	0	112.5	R283 T284 T291	R283-E287 WeakPolarHBondContact CG-OE1 3.27Å; R283-E287 IonicContact CZ-OE1 2.79Å; R283-E287 IonicContact NH1-OE1 3.7Å; R283-E287 PolarHBondContact NH1-OE1 2.88Å; R283-E287 IonicContact NH1-OE2 2.69Å; R283-E287 PolarHBondContact NH1-OE2 2.79Å; R283-E287 WeakPolarHBondContact O-CG 3.34Å; R283-E287 PolarHBondContact O-N 3.29Å; T284-E287 PolarHBondContact O-N 2.93Å; E287-T291 WeakPolarHBondContact O-CB 3.49Å; E287-T291 PolarHBondContact O-N 3.32Å; E287-T291 VanDerWaalsContact O-N 3.11Å; E287-T291 PolarHBondContact O-OG1 3.24Å
288	F	90.3	Very high	89.6	Confident	28 Å²	28	35 Å²	35	12%	0.123	17%	0.169	C	C	.	.	H	α-helix	trans	-59.9	-55.6	175.9	-177.6	-97.8	0	0	0	111.2	T284 F285 R290 T291 L292 R426 L427 L430	T284-F288 WeakPolarHBondContact O-CB 3.46Å; T284-F288 PolarHBondContact O-N 3.28Å; F285-F288 PolarHBondContact O-N 3.24Å; F288-R290 PolarHBondContact O-N 2.9Å; F288-T291 CarbonylContact O-C 3.57Å; F288-T291 WeakPolarHBondContact O-CA 3.24Å; F288-T291 WeakPolarHBondContact O-CB 2.99Å; F288-T291 PolarHBondContact O-N 3.23Å; F288-L292 HydrophobicContact CD1-CD1 4.18Å; F288-L292 HydrophobicContact CD1-CD2 4.35Å; F288-L292 HydrophobicContact CD1-CG 4.23Å; F288-L292 HydrophobicContact CE1-CD1 3.92Å; F288-L292 HydrophobicContact CE1-CD2 3.88Å; F288-L292 HydrophobicContact CE1-CG 4.13Å; F288-L292 HydrophobicContact CZ-CD2 4Å; F288-L292 PolarHBondContact O-N 2.96Å; F288-R426 HydrophobicContact CD2-CG 3.88Å; F288-R426 HydrophobicContact CE2-CB 4.17Å; F288-R426 HydrophobicContact CE2-CG 3.74Å; F288-L427 HydrophobicContact CE2-CB 4.48Å; F288-L427 HydrophobicContact CZ-CB 4.41Å; F288-L427 HydrophobicContact CZ-CD1 4.28Å; F288-L430 HydrophobicContact CD2-CD1 4.17Å; F288-L430 HydrophobicContact CD2-CD2 4.07Å; F288-L430 HydrophobicContact CD2-CG 4.45Å; F288-L430 HydrophobicContact CE2-CD1 4.34Å
289	H	91.4	Very high	89.6	Confident	15 Å²	15	35.6 Å²	35.6	7%	0.069	17%	0.172	C	C	.	.	H	α-helix	trans	-60.8	-38.6	-179.6	-77.8	86.9	0	0	0	113.4	Y259 F266 F285 T291 L292 E293	Y259-H289 WeakPolarHBondContact O-CB 3.43Å; F266-H289 AromaticContact CD2-ND1 3.87Å; F266-H289 AromaticContact CE2-CE1 3.53Å; F266-H289 AromaticContact CE2-ND1 3.8Å; F266-H289 AromaticContact CE2-NE2 3.99Å; F285-H289 WeakPolarHBondContact O-CB 3.48Å; F285-H289 PolarHBondContact O-N 3.1Å; F285-H289 PolarHBondContact O-ND1 3.22Å; H289-T291 PolarHBondContact O-N 3.42Å; H289-L292 WeakPolarHBondContact O-CB 3.44Å; H289-L292 PolarHBondContact O-N 3.4Å; H289-E293 PolarHBondContact O-N 3.26Å
290	R	91.7	Very high	89.4	Confident	75 Å²	75	34.5 Å²	34.5	28%	0.283	16%	0.164	S	C	.	.	H	α-helix	trans	-70.1	-12.4	171.5	-75.6	-172.9	-175.8	131.2	-3.7	114.1	D264 T267 G286 F288 K294	D264-R290 IonicContact OD1-CZ 2.73Å; D264-R290 IonicContact OD1-NE 3.89Å; D264-R290 PolarHBondContact OD1-NE 3.38Å; D264-R290 IonicContact OD1-NH2 3.09Å; D264-R290 PolarHBondContact OD1-NH2 2.95Å; T267-R290 PolarHBondContact OG1-NH1 3.39Å; T267-R290 PolarHBondContact OG1-NH2 2.68Å; G286-R290 WeakPolarHBondContact O-CB 3.47Å; G286-R290 WeakPolarHBondContact O-CG 3.29Å; G286-R290 PolarHBondContact O-N 3Å; F288-R290 PolarHBondContact O-N 2.9Å; R290-K294 WeakPolarHBondContact O-CD 3.34Å; R290-K294 VanDerWaalsContact O-CE 3.26Å; R290-K294 WeakPolarHBondContact O-CE 3.21Å; R290-K294 WeakPolarHBondContact O-CG 3.32Å
291	T	89.8	Confident	89.3	Confident	35 Å²	35	37 Å²	37	22%	0.215	17%	0.174	C	C	.	.	H	α-helix	trans	-92.2	-35.3	174.2	-54.6	0	0	0	0	110.5	E287 F288 H289 E293 K294 D295	E287-T291 WeakPolarHBondContact O-CB 3.49Å; E287-T291 PolarHBondContact O-N 3.32Å; E287-T291 VanDerWaalsContact O-N 3.11Å; E287-T291 PolarHBondContact O-OG1 3.24Å; F288-T291 CarbonylContact O-C 3.57Å; F288-T291 WeakPolarHBondContact O-CA 3.24Å; F288-T291 WeakPolarHBondContact O-CB 2.99Å; F288-T291 PolarHBondContact O-N 3.23Å; H289-T291 PolarHBondContact O-N 3.42Å; T291-E293 VanDerWaalsContact C-N 3.3Å; T291-E293 PolarHBondContact O-N 2.86Å; T291-K294 PolarHBondContact O-N 2.82Å; T291-K294 VanDerWaalsContact O-N 3.14Å; T291-D295 PolarHBondContact O-N 3.26Å
292	L	88.9	Confident	89.1	Confident	7 Å²	7	41.9 Å²	41.9	4%	0.037	20%	0.197	C	C	.	.	H	α-helix	trans	-52	-46.6	168.5	-55.7	-176	0	0	0	111.9	Y259 F288 H289 G296 L423	Y259-L292 HydrophobicContact CD1-CD1 4.28Å; Y259-L292 HydrophobicContact CD2-CB 3.7Å; Y259-L292 HydrophobicContact CD2-CD1 3.88Å; Y259-L292 HydrophobicContact CD2-CG 4.45Å; Y259-L292 HydrophobicContact CE1-CD1 4.48Å; Y259-L292 HydrophobicContact CE2-CB 4.32Å; Y259-L292 HydrophobicContact CE2-CD1 4.09Å; Y259-L292 HydrophobicContact CG-CB 4.23Å; Y259-L292 HydrophobicContact CG-CD1 3.98Å; F288-L292 HydrophobicContact CD1-CD1 4.18Å; F288-L292 HydrophobicContact CD1-CD2 4.35Å; F288-L292 HydrophobicContact CD1-CG 4.23Å; F288-L292 HydrophobicContact CE1-CD1 3.92Å; F288-L292 HydrophobicContact CE1-CD2 3.88Å; F288-L292 HydrophobicContact CE1-CG 4.13Å; F288-L292 HydrophobicContact CZ-CD2 4Å; F288-L292 PolarHBondContact O-N 2.96Å; H289-L292 WeakPolarHBondContact O-CB 3.44Å; H289-L292 PolarHBondContact O-N 3.4Å; L292-G296 PolarHBondContact O-N 3.23Å; L292-L423 HydrophobicContact CD2-CD1 4.13Å; L292-L423 HydrophobicContact CD2-CD2 3.53Å; L292-L423 HydrophobicContact CD2-CG 4.35Å
293	E	90.1	Very high	88.8	Confident	18 Å²	18	40.6 Å²	40.6	8%	0.084	19%	0.191	C	C	.	.	H	α-helix	trans	-57.3	-50.8	176	-176.3	-118.2	-149.4	0	0	111.7	L256 K260 H289 T291 D295 G296 L297	L256-E293 HydrophobicContact CB-CG 4.33Å; K260-E293 HydrophobicContact CB-CB 4.18Å; K260-E293 HydrophobicContact CB-CG 4.06Å; K260-E293 HydrophobicContact CD-CG 4.1Å; K260-E293 WeakPolarHBondContact CD-OE1 3.42Å; K260-E293 IonicContact NZ-OE1 3.16Å; K260-E293 PolarHBondContact NZ-OE1 3.27Å; H289-E293 PolarHBondContact O-N 3.26Å; T291-E293 VanDerWaalsContact C-N 3.3Å; T291-E293 PolarHBondContact O-N 2.86Å; E293-D295 PolarHBondContact O-N 3.03Å; E293-G296 PolarHBondContact O-N 3Å; E293-L297 VanDerWaalsContact CD-CD1 3.47Å; E293-L297 HydrophobicContact CG-CD1 3.83Å; E293-L297 HydrophobicContact CG-CG 4.27Å; E293-L297 VanDerWaalsContact O-CB 3.31Å; E293-L297 WeakPolarHBondContact O-CB 3.28Å; E293-L297 WeakPolarHBondContact O-CG 3.31Å; E293-L297 PolarHBondContact O-N 3.21Å
294	K	89.4	Confident	88.5	Confident	123 Å²	123	38.5 Å²	38.5	54%	0.535	19%	0.185	S	C	.	.	H	α-helix	trans	-63.5	-44.9	-176.9	-66.8	167.7	-168.8	161.4	0	112.6	R290 T291 L297 G298	R290-K294 WeakPolarHBondContact O-CD 3.34Å; R290-K294 VanDerWaalsContact O-CE 3.26Å; R290-K294 WeakPolarHBondContact O-CE 3.21Å; R290-K294 WeakPolarHBondContact O-CG 3.32Å; T291-K294 PolarHBondContact O-N 2.82Å; T291-K294 VanDerWaalsContact O-N 3.14Å; K294-L297 PolarHBondContact O-N 2.88Å; K294-G298 PolarHBondContact O-N 2.73Å
295	D	87.8	Confident	88.4	Confident	41 Å²	41	41.5 Å²	41.5	22%	0.219	20%	0.204	C	C	.	.	H	α-helix	trans	-65.1	-49.1	-179.4	-66.7	-17.1	0	0	0	109.8	T291 E293 L297 G298 I299 R426	T291-D295 PolarHBondContact O-N 3.26Å; E293-D295 PolarHBondContact O-N 3.03Å; D295-L297 PolarHBondContact O-N 2.92Å; D295-G298 VanDerWaalsContact O-CA 3.28Å; D295-G298 WeakPolarHBondContact O-CA 3.24Å; D295-G298 PolarHBondContact O-N 3.42Å; D295-I299 WeakPolarHBondContact O-CD1 3.44Å; D295-I299 PolarHBondContact O-N 2.71Å; D295-I299 VanDerWaalsContact O-N 3.13Å; D295-R426 IonicContact OD1-NH2 2.6Å; D295-R426 IonicContact OD2-CZ 2.77Å; D295-R426 IonicContact OD2-NE 2.68Å; D295-R426 PolarHBondContact OD2-NE 3.5Å; D295-R426 IonicContact OD2-NH2 3.81Å; D295-R426 PolarHBondContact OD2-NH2 2.98Å
296	G	88.2	Confident	88.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.1	-39.7	176.7	0	0	0	0	0	113.8	L292 E293 G298 I299 I300	L292-G296 PolarHBondContact O-N 3.23Å; E293-G296 PolarHBondContact O-N 3Å; G296-G298 PolarHBondContact O-N 3.37Å; G296-I299 PolarHBondContact O-N 3.13Å; G296-I299 VanDerWaalsContact O-N 3.12Å; G296-I300 WeakPolarHBondContact O-CG1 3.4Å; G296-I300 PolarHBondContact O-N 3.23Å
297	L	88.7	Confident	87.9	Confident	12 Å²	12	41.5 Å²	41.5	6%	0.063	21%	0.206	C	C	.	.	H	α-helix	trans	-64.4	-25.2	172.6	-72.7	177.9	0	0	0	111.9	Y253 L256 E293 K294 D295 I300 K301 L512	Y253-L297 HydrophobicContact CD2-CD2 3.88Å; Y253-L297 HydrophobicContact CE2-CD2 4.02Å; L256-L297 HydrophobicContact CD1-CD2 4.14Å; L256-L297 HydrophobicContact CD1-CG 4.11Å; E293-L297 VanDerWaalsContact CD-CD1 3.47Å; E293-L297 HydrophobicContact CG-CD1 3.83Å; E293-L297 HydrophobicContact CG-CG 4.27Å; E293-L297 VanDerWaalsContact O-CB 3.31Å; E293-L297 WeakPolarHBondContact O-CB 3.28Å; E293-L297 WeakPolarHBondContact O-CG 3.31Å; E293-L297 PolarHBondContact O-N 3.21Å; K294-L297 PolarHBondContact O-N 2.88Å; D295-L297 PolarHBondContact O-N 2.92Å; L297-I300 HydrophobicContact CD2-CD1 4.26Å; L297-K301 WeakPolarHBondContact O-CD 3.47Å; L297-K301 VanDerWaalsContact O-CG 3.3Å; L297-K301 WeakPolarHBondContact O-CG 3.4Å; L297-K301 PolarHBondContact O-N 3Å; L297-L512 HydrophobicContact CD2-CD2 3.79Å
298	G	87.2	Confident	87.6	Confident	27 Å²	27	39.8 Å²	39.8	28%	0.278	21%	0.208	S	C	.	.	H	α-helix	trans	-64.8	-50.4	167.9	0	0	0	0	0	112.2	K294 D295 G296 I300 K301 Q302	K294-G298 PolarHBondContact O-N 2.73Å; D295-G298 VanDerWaalsContact O-CA 3.28Å; D295-G298 WeakPolarHBondContact O-CA 3.24Å; D295-G298 PolarHBondContact O-N 3.42Å; G296-G298 PolarHBondContact O-N 3.37Å; G298-I300 PolarHBondContact O-N 2.99Å; G298-K301 WeakPolarHBondContact O-CB 3.46Å; G298-K301 PolarHBondContact O-N 3.09Å; G298-K301 VanDerWaalsContact O-N 3.14Å; G298-Q302 PolarHBondContact O-N 3.48Å; G298-Q302 VanDerWaalsContact O-N 3.14Å
299	I	85.3	Confident	87.5	Confident	15 Å²	15	40.7 Å²	40.7	8%	0.077	21%	0.214	C	C	.	.	H	α-helix	trans	-64.2	-39.7	179.1	-80.7	79.5	0	0	0	111.9	D295 G296 K301 Q302 I303 S415 L416 L419	D295-I299 WeakPolarHBondContact O-CD1 3.44Å; D295-I299 PolarHBondContact O-N 2.71Å; D295-I299 VanDerWaalsContact O-N 3.13Å; G296-I299 PolarHBondContact O-N 3.13Å; G296-I299 VanDerWaalsContact O-N 3.12Å; I299-K301 PolarHBondContact O-N 2.96Å; I299-Q302 WeakPolarHBondContact O-CA 3.45Å; I299-Q302 WeakPolarHBondContact O-CB 3.38Å; I299-Q302 PolarHBondContact O-N 2.85Å; I299-I303 HydrophobicContact CG2-CD1 3.49Å; I299-I303 VanDerWaalsContact CG2-CD1 3.49Å; I299-I303 HydrophobicContact CG2-CG1 4.13Å; I299-I303 WeakPolarHBondContact O-CG1 3.44Å; I299-I303 PolarHBondContact O-N 3.39Å; I299-S415 WeakPolarHBondContact CG1-O 3.18Å; I299-L416 HydrophobicContact CG2-CD2 4.32Å; I299-L419 HydrophobicContact CD1-CB 3.84Å; I299-L419 HydrophobicContact CD1-CD1 4.22Å; I299-L419 HydrophobicContact CG1-CB 3.95Å
300	I	85.4	Confident	87.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.4	-37.6	174.9	-68	167.8	0	0	0	111.2	L249 Y252 Y253 L256 G296 L297 G298 K304 L516	L249-I300 HydrophobicContact CD2-CG1 4.36Å; Y252-I300 HydrophobicContact CD1-CD1 3.92Å; Y252-I300 HydrophobicContact CD1-CG1 3.93Å; Y252-I300 HydrophobicContact CE1-CD1 4.34Å; Y252-I300 HydrophobicContact CE1-CG1 4.31Å; Y253-I300 HydrophobicContact CD2-CD1 4.41Å; L256-I300 HydrophobicContact CD1-CD1 3.57Å; G296-I300 WeakPolarHBondContact O-CG1 3.4Å; G296-I300 PolarHBondContact O-N 3.23Å; L297-I300 HydrophobicContact CD2-CD1 4.26Å; G298-I300 PolarHBondContact O-N 2.99Å; I300-K304 PolarHBondContact O-N 3.39Å; I300-L516 HydrophobicContact CG2-CD1 3.35Å; I300-L516 HydrophobicContact CG2-CD2 3.89Å; I300-L516 HydrophobicContact CG2-CG 4.29Å
301	K	86.4	Confident	87.1	Confident	117 Å²	117	37.3 Å²	37.3	51%	0.509	20%	0.204	S	C	.	.	H	α-helix	trans	-71	-29.2	175	-67.8	163.5	-173.6	168	0	112.8	L297 G298 I299 P305 L512	L297-K301 WeakPolarHBondContact O-CD 3.47Å; L297-K301 VanDerWaalsContact O-CG 3.3Å; L297-K301 WeakPolarHBondContact O-CG 3.4Å; L297-K301 PolarHBondContact O-N 3Å; G298-K301 WeakPolarHBondContact O-CB 3.46Å; G298-K301 PolarHBondContact O-N 3.09Å; G298-K301 VanDerWaalsContact O-N 3.14Å; I299-K301 PolarHBondContact O-N 2.96Å; K301-P305 WeakPolarHBondContact O-CD 3.23Å; K301-L512 HydrophobicContact CG-CD1 4.12Å
302	Q	85	Confident	87	Confident	103 Å²	103	38 Å²	38	48%	0.481	21%	0.208	S	C	.	.	H	α-helix	trans	-75	-37.8	174.1	-65.2	177.2	10.8	0	0	113	G298 I299 K304 P305 S415	G298-Q302 PolarHBondContact O-N 3.48Å; G298-Q302 VanDerWaalsContact O-N 3.14Å; I299-Q302 WeakPolarHBondContact O-CA 3.45Å; I299-Q302 WeakPolarHBondContact O-CB 3.38Å; I299-Q302 PolarHBondContact O-N 2.85Å; Q302-K304 VanDerWaalsContact C-N 3.31Å; Q302-K304 PolarHBondContact O-N 3.12Å; Q302-P305 WeakPolarHBondContact O-CD 3.29Å; Q302-S415 PolarHBondContact OE1-OG 2.9Å
303	I	84.9	Confident	87	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-73.5	-24.7	179.2	-62.8	166.7	0	0	0	111.5	L249 I299 V306 L307 L412 L416	L249-I303 HydrophobicContact CD1-CB 4.38Å; L249-I303 HydrophobicContact CD1-CG2 3.94Å; L249-I303 HydrophobicContact CD2-CB 4.29Å; L249-I303 HydrophobicContact CD2-CD1 3.82Å; L249-I303 HydrophobicContact CD2-CG2 4.1Å; L249-I303 HydrophobicContact CG-CG2 4.36Å; I299-I303 HydrophobicContact CG2-CD1 3.49Å; I299-I303 VanDerWaalsContact CG2-CD1 3.49Å; I299-I303 HydrophobicContact CG2-CG1 4.13Å; I299-I303 WeakPolarHBondContact O-CG1 3.44Å; I299-I303 PolarHBondContact O-N 3.39Å; I303-V306 WeakPolarHBondContact O-CA 3.4Å; I303-V306 VanDerWaalsContact O-CB 3.25Å; I303-V306 WeakPolarHBondContact O-CB 3.09Å; I303-V306 PolarHBondContact O-N 3.08Å; I303-L307 HydrophobicContact CG2-CG 4.45Å; I303-L307 PolarHBondContact O-N 3.07Å; I303-L307 VanDerWaalsContact O-N 3.1Å; I303-L412 HydrophobicContact CD1-CD1 3.57Å; I303-L412 HydrophobicContact CG1-CD1 3.82Å; I303-L412 HydrophobicContact CG2-CD1 3.85Å; I303-L416 HydrophobicContact CD1-CD2 4.39Å
304	K	84	Confident	87	Confident	50 Å²	50	37.6 Å²	37.6	22%	0.217	21%	0.207	C	C	.	.	H	α-helix	trans	-50.5	-51.8	178.7	176.6	-177	-171.4	164.4	0	114.3	I300 Q302 V306 L307 A308 E515 L516	I300-K304 PolarHBondContact O-N 3.39Å; Q302-K304 VanDerWaalsContact C-N 3.31Å; Q302-K304 PolarHBondContact O-N 3.12Å; K304-V306 VanDerWaalsContact C-N 3.28Å; K304-V306 PolarHBondContact O-N 3.39Å; K304-L307 PolarHBondContact O-N 3.41Å; K304-A308 WeakPolarHBondContact O-CB 3.41Å; K304-A308 PolarHBondContact O-N 3.46Å; K304-E515 WeakPolarHBondContact CE-O 3.34Å; K304-E515 VanDerWaalsContact NZ-C 3.34Å; K304-E515 PolarHBondContact NZ-O 3.33Å; K304-E515 IonicContact NZ-OE1 2.82Å; K304-E515 PolarHBondContact NZ-OE1 2.98Å; K304-E515 IonicContact NZ-OE2 3.97Å; K304-L516 HydrophobicContact CB-CD2 3.66Å; K304-L516 HydrophobicContact CD-CD2 3.78Å; K304-L516 HydrophobicContact CG-CD2 3.85Å
305	P	87.6	Confident	87	Confident	81 Å²	81	36.8 Å²	36.8	53%	0.526	21%	0.208	S	C	.	.	H	α-helix	trans	-49.9	-42.1	169.5	-31.7	32.9	0	0	0	114.9	K301 Q302 A308 D309	K301-P305 WeakPolarHBondContact O-CD 3.23Å; Q302-P305 WeakPolarHBondContact O-CD 3.29Å; P305-A308 PolarHBondContact O-N 3.13Å; P305-D309 WeakPolarHBondContact O-CB 3.4Å; P305-D309 PolarHBondContact O-N 2.93Å
306	V	86.6	Confident	87.1	Confident	11 Å²	11	41.5 Å²	41.5	7%	0.067	23%	0.226	C	C	.	.	H	α-helix	trans	-62.7	-46.3	-179.4	-171.7	0	0	0	0	110.7	I303 K304 D309 L310 Q408	I303-V306 WeakPolarHBondContact O-CA 3.4Å; I303-V306 VanDerWaalsContact O-CB 3.25Å; I303-V306 WeakPolarHBondContact O-CB 3.09Å; I303-V306 PolarHBondContact O-N 3.08Å; K304-V306 VanDerWaalsContact C-N 3.28Å; K304-V306 PolarHBondContact O-N 3.39Å; V306-D309 PolarHBondContact O-N 2.84Å; V306-L310 HydrophobicContact CG1-CD1 4.23Å; V306-L310 WeakPolarHBondContact O-CB 3.27Å; V306-L310 WeakPolarHBondContact O-CG 3.45Å; V306-L310 PolarHBondContact O-N 2.94Å; V306-Q408 HydrophobicContact CG1-CB 3.65Å; V306-Q408 HydrophobicContact CG1-CG 4.01Å; V306-Q408 WeakPolarHBondContact CG1-O 3.42Å
307	L	84.9	Confident	87.2	Confident	16 Å²	16	42.6 Å²	42.6	8%	0.084	24%	0.236	C	C	.	.	H	α-helix	trans	-66.4	-34.2	174.8	-77.5	-178.6	0	0	0	113.5	A245 R246 L249 I303 K304 D309 L310 G311	A245-L307 HydrophobicContact CB-CD2 3.67Å; R246-L307 HydrophobicContact CG-CD1 4.19Å; L249-L307 HydrophobicContact CD1-CD1 3.42Å; L249-L307 VanDerWaalsContact CD1-CD1 3.42Å; L249-L307 HydrophobicContact CG-CD1 4.3Å; I303-L307 HydrophobicContact CG2-CG 4.45Å; I303-L307 PolarHBondContact O-N 3.07Å; I303-L307 VanDerWaalsContact O-N 3.1Å; K304-L307 PolarHBondContact O-N 3.41Å; L307-D309 VanDerWaalsContact C-N 3.31Å; L307-L310 HydrophobicContact CD2-CD1 4.18Å; L307-G311 PolarHBondContact O-N 3.49Å
308	A	87.1	Confident	87.3	Confident	57 Å²	57	42 Å²	42	47%	0.471	23%	0.233	S	C	.	.	H	α-helix	trans	-68.8	-31.3	177	0	0	0	0	0	112.4	K304 P305 T312	K304-A308 WeakPolarHBondContact O-CB 3.41Å; K304-A308 PolarHBondContact O-N 3.46Å; P305-A308 PolarHBondContact O-N 3.13Å; A308-T312 VanDerWaalsContact O-CB 3.28Å; A308-T312 WeakPolarHBondContact O-CB 3.46Å; A308-T312 PolarHBondContact O-N 3.38Å; A308-T312 PolarHBondContact O-OG1 3.32Å
309	D	87.2	Confident	87.5	Confident	48 Å²	48	43.7 Å²	43.7	26%	0.257	24%	0.238	S	C	.	.	H	α-helix	trans	-80.3	-47.1	177.9	-163	32.3	0	0	0	111.8	P305 V306 L307 G311 T312 Y313 Q408	P305-D309 WeakPolarHBondContact O-CB 3.4Å; P305-D309 PolarHBondContact O-N 2.93Å; V306-D309 PolarHBondContact O-N 2.84Å; L307-D309 VanDerWaalsContact C-N 3.31Å; D309-G311 VanDerWaalsContact C-N 3.28Å; D309-G311 PolarHBondContact O-N 2.97Å; D309-T312 WeakPolarHBondContact O-CA 3.35Å; D309-T312 WeakPolarHBondContact O-CB 3.49Å; D309-T312 PolarHBondContact O-N 2.78Å; D309-Y313 PolarHBondContact O-N 2.88Å; D309-Q408 PolarHBondContact OD2-NE2 3.49Å
310	L	86.7	Confident	87.8	Confident	9 Å²	9	46.6 Å²	46.6	5%	0.047	25%	0.254	C	S	.	.	H	α-helix	trans	-50.5	-48.6	166.6	-78.1	164.7	0	0	0	111.2	Y238 L241 V242 V306 L307 T312 Y313 L314 L405 Q408	Y238-L310 HydrophobicContact CD1-CD2 4.12Å; Y238-L310 HydrophobicContact CE1-CD2 3.73Å; L241-L310 HydrophobicContact CD2-CD2 3.82Å; V242-L310 HydrophobicContact CG2-CB 3.84Å; V306-L310 HydrophobicContact CG1-CD1 4.23Å; V306-L310 WeakPolarHBondContact O-CB 3.27Å; V306-L310 WeakPolarHBondContact O-CG 3.45Å; V306-L310 PolarHBondContact O-N 2.94Å; L307-L310 HydrophobicContact CD2-CD1 4.18Å; L310-T312 VanDerWaalsContact C-N 3.28Å; L310-T312 PolarHBondContact O-N 3.24Å; L310-Y313 PolarHBondContact O-N 3.37Å; L310-L314 PolarHBondContact O-N 3.11Å; L310-L405 HydrophobicContact CD2-CD1 4.3Å; L310-Q408 HydrophobicContact CG-CB 4.44Å; L310-Q408 HydrophobicContact CG-CG 4.39Å
311	G	87.1	Confident	88.1	Confident	10 Å²	10	46.9 Å²	46.9	10%	0.103	26%	0.256	C	S	.	.	H	α-helix	trans	-66.3	-26.2	176.5	0	0	0	0	0	113.8	L307 D309 N315	L307-G311 PolarHBondContact O-N 3.49Å; D309-G311 VanDerWaalsContact C-N 3.28Å; D309-G311 PolarHBondContact O-N 2.97Å; G311-N315 VanDerWaalsContact O-CB 3.27Å; G311-N315 WeakPolarHBondContact O-CB 3.41Å; G311-N315 PolarHBondContact O-N 2.81Å; G311-N315 PolarHBondContact O-ND2 3.01Å
312	T	89.2	Confident	88.3	Confident	48 Å²	48	42.2 Å²	42.2	29%	0.294	24%	0.236	S	C	.	.	H	α-helix	trans	-76.8	-39.2	175.2	-73.5	0	0	0	0	111.7	A308 D309 L310 K316 A317	A308-T312 VanDerWaalsContact O-CB 3.28Å; A308-T312 WeakPolarHBondContact O-CB 3.46Å; A308-T312 PolarHBondContact O-N 3.38Å; A308-T312 PolarHBondContact O-OG1 3.32Å; D309-T312 WeakPolarHBondContact O-CA 3.35Å; D309-T312 WeakPolarHBondContact O-CB 3.49Å; D309-T312 PolarHBondContact O-N 2.78Å; L310-T312 VanDerWaalsContact C-N 3.28Å; L310-T312 PolarHBondContact O-N 3.24Å; T312-K316 HydrophobicContact CG2-CD 4.31Å; T312-K316 WeakPolarHBondContact O-CB 3.21Å; T312-K316 PolarHBondContact O-N 3.04Å; T312-K316 VanDerWaalsContact O-N 3.12Å; T312-A317 PolarHBondContact O-N 2.67Å
313	Y	88.6	Confident	88.6	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.016	23%	0.231	C	C	.	.	I	π-helix	trans	-59.7	-53.7	170.3	179.2	-92	0	0	0	110.6	T234 Y238 D309 L310 A317 I318 L397 H401	T234-Y313 HydrophobicContact CG2-CE1 4.42Å; Y238-Y313 AromaticContact CD1-CD1 3.48Å; Y238-Y313 HydrophobicContact CD1-CD1 3.48Å; Y238-Y313 VanDerWaalsContact CD1-CD1 3.48Å; Y238-Y313 HydrophobicContact CD1-CE1 4.03Å; Y238-Y313 HydrophobicContact CD1-CG 4.42Å; Y238-Y313 HydrophobicContact CD2-CD1 4Å; Y238-Y313 AromaticContact CD2-CE1 3.66Å; Y238-Y313 HydrophobicContact CD2-CE1 3.66Å; Y238-Y313 AromaticContact CE1-CD1 3.25Å; Y238-Y313 HydrophobicContact CE1-CD1 3.25Å; Y238-Y313 AromaticContact CE1-CE1 3.79Å; Y238-Y313 HydrophobicContact CE1-CE1 3.79Å; Y238-Y313 AromaticContact CE1-CG 3.92Å; Y238-Y313 HydrophobicContact CE1-CG 3.92Å; Y238-Y313 AromaticContact CE2-CD1 3.82Å; Y238-Y313 HydrophobicContact CE2-CD1 3.82Å; Y238-Y313 AromaticContact CE2-CE1 3.4Å; Y238-Y313 HydrophobicContact CE2-CE1 3.4Å; Y238-Y313 AromaticContact CG-CD1 3.83Å; Y238-Y313 HydrophobicContact CG-CD1 3.83Å; Y238-Y313 AromaticContact CG-CE1 3.95Å; Y238-Y313 HydrophobicContact CG-CE1 3.95Å; Y238-Y313 AromaticContact CZ-CD1 3.44Å; Y238-Y313 VanDerWaalsContact CZ-CD1 3.44Å; Y238-Y313 AromaticContact CZ-CE1 3.46Å; Y238-Y313 VanDerWaalsContact CZ-CE1 3.46Å; D309-Y313 PolarHBondContact O-N 2.88Å; L310-Y313 PolarHBondContact O-N 3.37Å; Y313-A317 HydrophobicContact CD2-CB 4.16Å; Y313-A317 WeakPolarHBondContact O-CB 3.44Å; Y313-A317 PolarHBondContact O-N 2.85Å; Y313-I318 HydrophobicContact CD1-CD1 4.19Å; Y313-I318 HydrophobicContact CD1-CG1 4.35Å; Y313-I318 HydrophobicContact CE1-CD1 3.67Å; Y313-I318 HydrophobicContact CE1-CG1 3.88Å; Y313-I318 PolarHBondContact O-N 3.43Å; Y313-L397 HydrophobicContact CD2-CD1 4.18Å; Y313-L397 HydrophobicContact CE2-CD1 3.44Å; Y313-L397 VanDerWaalsContact CE2-CD1 3.44Å; Y313-L397 HydrophobicContact CE2-CG 3.94Å; Y313-H401 HydrophobicContact CE2-CB 3.98Å
314	L	89.4	Confident	88.9	Confident	14 Å²	14	41 Å²	41	7%	0.073	23%	0.233	C	C	.	.	I	π-helix	trans	-60.8	-50.9	-178.9	174.7	58.4	0	0	0	113.4	E235 K239 V242 L310 P319	E235-L314 HydrophobicContact CG-CD1 3.83Å; K239-L314 HydrophobicContact CG-CD1 3.84Å; K239-L314 HydrophobicContact CG-CD2 3.92Å; K239-L314 HydrophobicContact CG-CG 4.5Å; V242-L314 HydrophobicContact CB-CD2 4.37Å; V242-L314 HydrophobicContact CG2-CD2 4.28Å; L310-L314 PolarHBondContact O-N 3.11Å; L314-P319 VanDerWaalsContact O-CD 3.26Å; L314-P319 WeakPolarHBondContact O-CD 3.45Å
315	N	89.3	Confident	89.2	Confident	106 Å²	106	39.1 Å²	39.1	57%	0.567	23%	0.225	S	C	*	.	I	π-helix	trans	-93.4	-1.8	-169.2	-61.5	-83.5	0	0	0	114.5	G311	G311-N315 VanDerWaalsContact O-CB 3.27Å; G311-N315 WeakPolarHBondContact O-CB 3.41Å; G311-N315 PolarHBondContact O-N 2.81Å; G311-N315 PolarHBondContact O-ND2 3.01Å
316	K	91	Very high	89.3	Confident	139 Å²	139	43.5 Å²	43.5	60%	0.604	23%	0.231	S	C	*	.	I	π-helix	trans	-133.8	-47.3	178.5	-54.5	-179.9	-170.6	157.7	0	113.7	T312 D320	T312-K316 HydrophobicContact CG2-CD 4.31Å; T312-K316 WeakPolarHBondContact O-CB 3.21Å; T312-K316 PolarHBondContact O-N 3.04Å; T312-K316 VanDerWaalsContact O-N 3.12Å; K316-D320 PolarHBondContact O-N 3.47Å
317	A	90.4	Very high	89.6	Confident	24 Å²	24	50.1 Å²	50.1	20%	0.198	26%	0.255	C	S	.	.	I	π-helix	trans	-72.7	-47.4	-174.5	0	0	0	0	0	112.7	T312 Y313 T321 L397	T312-A317 PolarHBondContact O-N 2.67Å; Y313-A317 HydrophobicContact CD2-CB 4.16Å; Y313-A317 WeakPolarHBondContact O-CB 3.44Å; Y313-A317 PolarHBondContact O-N 2.85Å; A317-T321 PolarHBondContact O-N 2.83Å; A317-T321 PolarHBondContact O-OG1 2.92Å; A317-L397 HydrophobicContact CB-CD1 3.64Å
318	I	90.4	Very high	89.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-47.6	174.6	-62	178	0	0	0	111.3	L231 E235 Y313 D320 T321 K322 L397	L231-I318 HydrophobicContact CD1-CD1 4.5Å; L231-I318 HydrophobicContact CD1-CG1 4.13Å; L231-I318 HydrophobicContact CD1-CG2 4.06Å; L231-I318 HydrophobicContact CG-CG2 4.37Å; E235-I318 HydrophobicContact CB-CD1 3.86Å; E235-I318 HydrophobicContact CB-CG2 4.22Å; E235-I318 HydrophobicContact CG-CD1 3.99Å; E235-I318 HydrophobicContact CG-CG2 4.04Å; E235-I318 WeakPolarHBondContact OE2-CG2 3.4Å; Y313-I318 HydrophobicContact CD1-CD1 4.19Å; Y313-I318 HydrophobicContact CD1-CG1 4.35Å; Y313-I318 HydrophobicContact CE1-CD1 3.67Å; Y313-I318 HydrophobicContact CE1-CG1 3.88Å; Y313-I318 PolarHBondContact O-N 3.43Å; I318-D320 PolarHBondContact O-N 3.19Å; I318-T321 PolarHBondContact O-N 3.08Å; I318-K322 HydrophobicContact CG2-CD 4.12Å; I318-K322 HydrophobicContact CG2-CG 4.26Å; I318-K322 PolarHBondContact O-N 2.94Å; I318-L397 HydrophobicContact CG1-CD2 4.38Å
319	P	91.2	Very high	89.9	Confident	61 Å²	61	48.2 Å²	48.2	40%	0.396	24%	0.24	S	C	.	.	H	α-helix	trans	-59.1	-38	177.2	-31	37.5	0	0	0	116	L314 L323	L314-P319 VanDerWaalsContact O-CD 3.26Å; L314-P319 WeakPolarHBondContact O-CD 3.45Å; P319-L323 WeakPolarHBondContact O-CB 3.24Å; P319-L323 PolarHBondContact O-N 2.95Å
320	D	91.9	Very high	90.2	Very high	76 Å²	76	48.6 Å²	48.6	41%	0.406	24%	0.242	S	C	.	.	H	α-helix	trans	-69.8	-37.7	176.2	-178.8	69.5	0	0	0	112.1	K316 I318 L323 T324 K393	K316-D320 PolarHBondContact O-N 3.47Å; I318-D320 PolarHBondContact O-N 3.19Å; D320-L323 PolarHBondContact O-N 2.98Å; D320-T324 PolarHBondContact O-N 3.24Å; D320-T324 PolarHBondContact O-OG1 3.19Å; D320-K393 IonicContact OD1-NZ 3.8Å; D320-K393 IonicContact OD2-NZ 3.18Å; D320-K393 PolarHBondContact OD2-NZ 3.17Å
321	T	91.5	Very high	90.4	Very high	7 Å²	7	48.5 Å²	48.5	4%	0.043	24%	0.242	C	C	.	.	H	α-helix	trans	-63.3	-50.1	173.2	-53.6	0	0	0	0	110.1	L231 A317 I318 L323 T324 V325 M394 L397	L231-T321 HydrophobicContact CD2-CG2 3.97Å; A317-T321 PolarHBondContact O-N 2.83Å; A317-T321 PolarHBondContact O-OG1 2.92Å; I318-T321 PolarHBondContact O-N 3.08Å; T321-L323 VanDerWaalsContact C-N 3.31Å; T321-L323 PolarHBondContact O-N 2.64Å; T321-T324 WeakPolarHBondContact O-CA 3.33Å; T321-T324 WeakPolarHBondContact O-CB 3.43Å; T321-T324 PolarHBondContact O-N 2.72Å; T321-V325 WeakPolarHBondContact O-CG2 3.35Å; T321-V325 PolarHBondContact O-N 2.94Å; T321-M394 HydrophobicContact CG2-CG 3.96Å; T321-L397 HydrophobicContact CG2-CD2 4.1Å
322	K	90	Very high	90.6	Very high	18 Å²	18	48.4 Å²	48.4	8%	0.078	24%	0.239	C	C	.	.	H	α-helix	trans	-60.9	-34.4	174.9	-72.1	-168.1	174.8	-176.3	0	113.2	L231 E232 E235 I318 T324 R326	L231-K322 HydrophobicContact CD2-CG 3.99Å; E232-K322 WeakPolarHBondContact OE1-CE 3.2Å; E232-K322 IonicContact OE1-NZ 3.71Å; E232-K322 PolarHBondContact OE1-NZ 3.28Å; E235-K322 VanDerWaalsContact OE2-CE 3.27Å; E235-K322 WeakPolarHBondContact OE2-CE 3.16Å; E235-K322 IonicContact OE2-NZ 2.65Å; E235-K322 PolarHBondContact OE2-NZ 2.87Å; I318-K322 HydrophobicContact CG2-CD 4.12Å; I318-K322 HydrophobicContact CG2-CG 4.26Å; I318-K322 PolarHBondContact O-N 2.94Å; K322-T324 VanDerWaalsContact C-N 3.34Å; K322-R326 WeakPolarHBondContact O-CB 3.44Å; K322-R326 WeakPolarHBondContact O-CD 3.23Å; K322-R326 WeakPolarHBondContact O-CG 2.73Å; K322-R326 PolarHBondContact O-N 2.85Å
323	L	91.7	Very high	90.7	Very high	74 Å²	74	46.8 Å²	46.8	39%	0.387	23%	0.228	S	C	.	.	H	α-helix	trans	-64.3	-38.9	171.2	176.9	61.3	0	0	0	111.9	P319 D320 T321 R326 R327	P319-L323 WeakPolarHBondContact O-CB 3.24Å; P319-L323 PolarHBondContact O-N 2.95Å; D320-L323 PolarHBondContact O-N 2.98Å; T321-L323 VanDerWaalsContact C-N 3.31Å; T321-L323 PolarHBondContact O-N 2.64Å; L323-R326 PolarHBondContact O-N 3.34Å; L323-R327 WeakPolarHBondContact O-CG 3.34Å; L323-R327 PolarHBondContact O-N 3.48Å; L323-R327 VanDerWaalsContact O-N 3.13Å
324	T	91.4	Very high	91	Very high	8 Å²	8	48.1 Å²	48.1	5%	0.049	24%	0.237	C	C	.	.	H	α-helix	trans	-67.3	-45.6	177.6	-49.5	0	0	0	0	110.8	D320 T321 K322 R326 R327 Y328 D389 V390 K393	D320-T324 PolarHBondContact O-N 3.24Å; D320-T324 PolarHBondContact O-OG1 3.19Å; T321-T324 WeakPolarHBondContact O-CA 3.33Å; T321-T324 WeakPolarHBondContact O-CB 3.43Å; T321-T324 PolarHBondContact O-N 2.72Å; K322-T324 VanDerWaalsContact C-N 3.34Å; T324-R326 VanDerWaalsContact C-N 3.34Å; T324-R326 PolarHBondContact O-N 3.42Å; T324-R327 WeakPolarHBondContact O-CB 3.33Å; T324-R327 PolarHBondContact O-N 2.96Å; T324-R327 VanDerWaalsContact O-N 3.08Å; T324-Y328 PolarHBondContact O-N 3.44Å; T324-D389 HydrophobicContact CG2-CB 4.47Å; T324-V390 HydrophobicContact CG2-CG2 3.9Å; T324-K393 HydrophobicContact CG2-CD 4.04Å; T324-K393 PolarHBondContact OG1-NZ 3.39Å
325	V	89.6	Confident	91.2	Very high	10 Å²	10	48 Å²	48	6%	0.061	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-37.7	176	-171.2	0	0	0	0	112	L228 T321 R327 Y328 A329 V390 M394	L228-V325 HydrophobicContact CD1-CG1 3.76Å; L228-V325 HydrophobicContact CD2-CB 4.23Å; L228-V325 HydrophobicContact CD2-CG1 3.92Å; L228-V325 HydrophobicContact CD2-CG2 4.23Å; L228-V325 HydrophobicContact CG-CG1 4Å; T321-V325 WeakPolarHBondContact O-CG2 3.35Å; T321-V325 PolarHBondContact O-N 2.94Å; V325-R327 VanDerWaalsContact C-N 3.31Å; V325-R327 PolarHBondContact O-N 3.18Å; V325-Y328 WeakPolarHBondContact O-CB 3.39Å; V325-Y328 PolarHBondContact O-N 3.36Å; V325-A329 WeakPolarHBondContact O-CB 3.5Å; V325-A329 PolarHBondContact O-N 2.84Å; V325-V390 HydrophobicContact CB-CG2 4.5Å; V325-V390 HydrophobicContact CG2-CG1 3.84Å; V325-V390 HydrophobicContact CG2-CG2 4.12Å; V325-M394 HydrophobicContact CG2-SD 4.4Å
326	R	89.6	Confident	91.3	Very high	173 Å²	173	43.7 Å²	43.7	65%	0.653	21%	0.212	S	C	*	.	H	α-helix	trans	-61.4	-36	172.9	-73.8	166.6	-176.8	165.5	1.5	112.8	K322 L323 T324 D330	K322-R326 WeakPolarHBondContact O-CB 3.44Å; K322-R326 WeakPolarHBondContact O-CD 3.23Å; K322-R326 WeakPolarHBondContact O-CG 2.73Å; K322-R326 PolarHBondContact O-N 2.85Å; L323-R326 PolarHBondContact O-N 3.34Å; T324-R326 VanDerWaalsContact C-N 3.34Å; T324-R326 PolarHBondContact O-N 3.42Å; R326-D330 PolarHBondContact O-N 2.83Å; R326-D330 VanDerWaalsContact O-N 3.12Å
327	R	92.4	Very high	91.4	Very high	151 Å²	151	37.1 Å²	37.1	57%	0.57	18%	0.184	S	C	*	.	H	α-helix	trans	-68.9	-41.7	174.1	-70.8	170.7	176.6	-173.8	0.8	111.8	L323 T324 V325 A331 L386	L323-R327 WeakPolarHBondContact O-CG 3.34Å; L323-R327 PolarHBondContact O-N 3.48Å; L323-R327 VanDerWaalsContact O-N 3.13Å; T324-R327 WeakPolarHBondContact O-CB 3.33Å; T324-R327 PolarHBondContact O-N 2.96Å; T324-R327 VanDerWaalsContact O-N 3.08Å; V325-R327 VanDerWaalsContact C-N 3.31Å; V325-R327 PolarHBondContact O-N 3.18Å; R327-A331 PolarHBondContact O-N 3.24Å; R327-A331 VanDerWaalsContact O-N 3.11Å; R327-L386 HydrophobicContact CB-CD2 4.39Å
328	Y	91.4	Very high	91.7	Very high	8 Å²	8	36.6 Å²	36.6	3%	0.031	18%	0.177	C	C	.	.	H	α-helix	trans	-59	-50	172.3	163.1	-97.9	0	0	0	111.6	D222 L224 T324 V325 D330 A331 K332 F383 L386 R387 V390	D222-Y328 PolarHBondContact OD2-OH 2.87Å; L224-Y328 HydrophobicContact CD1-CD1 3.93Å; L224-Y328 HydrophobicContact CD1-CE1 3.45Å; L224-Y328 VanDerWaalsContact CD1-CE1 3.45Å; L224-Y328 HydrophobicContact CD1-CE2 4.18Å; L224-Y328 HydrophobicContact CD1-CG 4.49Å; T324-Y328 PolarHBondContact O-N 3.44Å; V325-Y328 WeakPolarHBondContact O-CB 3.39Å; V325-Y328 PolarHBondContact O-N 3.36Å; Y328-D330 PolarHBondContact O-N 3.46Å; Y328-A331 CarbonylContact O-C 3.57Å; Y328-A331 WeakPolarHBondContact O-CA 3.26Å; Y328-A331 WeakPolarHBondContact O-CB 3.33Å; Y328-A331 PolarHBondContact O-N 3.03Å; Y328-A331 VanDerWaalsContact O-N 3.08Å; Y328-K332 HydrophobicContact CE1-CD 4.06Å; Y328-K332 WeakPolarHBondContact O-CB 3.42Å; Y328-K332 PolarHBondContact O-N 3.25Å; Y328-F383 HydrophobicContact CD2-CD2 4.28Å; Y328-F383 HydrophobicContact CD2-CE2 4.38Å; Y328-F383 AromaticContact CE2-CD2 3.67Å; Y328-F383 HydrophobicContact CE2-CD2 3.67Å; Y328-F383 AromaticContact CE2-CE2 3.38Å; Y328-F383 HydrophobicContact CE2-CE2 3.38Å; Y328-F383 HydrophobicContact CE2-CZ 4.26Å; Y328-F383 AromaticContact CZ-CE2 3.65Å; Y328-F383 WeakPolarHBondContact OH-CE2 3.31Å; Y328-L386 HydrophobicContact CD2-CB 4.24Å; Y328-R387 HydrophobicContact CD2-CB 4.19Å; Y328-R387 HydrophobicContact CE2-CB 3.75Å; Y328-R387 HydrophobicContact CE2-CG 4Å; Y328-V390 HydrophobicContact CG-CG2 4.24Å
329	A	88.9	Confident	91.9	Very high	25 Å²	25	37.3 Å²	37.3	21%	0.207	18%	0.181	C	C	.	.	H	α-helix	trans	-60.1	-42.2	179.8	0	0	0	0	0	112.3	V325 A331 K332 F333	V325-A329 WeakPolarHBondContact O-CB 3.5Å; V325-A329 PolarHBondContact O-N 2.84Å; A329-A331 VanDerWaalsContact C-N 3.31Å; A329-A331 PolarHBondContact O-N 3.18Å; A329-K332 WeakPolarHBondContact O-CB 3.24Å; A329-K332 PolarHBondContact O-N 3.37Å; A329-F333 HydrophobicContact CB-CE2 4.2Å; A329-F333 HydrophobicContact CB-CZ 4.48Å; A329-F333 WeakPolarHBondContact O-CD2 3.39Å; A329-F333 VanDerWaalsContact O-CG 3.24Å; A329-F333 WeakPolarHBondContact O-CG 3.44Å; A329-F333 PolarHBondContact O-N 3.45Å
330	D	91.6	Very high	92	Very high	55 Å²	55	37.3 Å²	37.3	29%	0.294	18%	0.178	S	C	.	.	H	α-helix	trans	-66.2	-32.9	176.1	-166.4	70.7	0	0	0	112.9	K195 R199 R326 Y328 T334	K195-D330 WeakPolarHBondContact CE-O 3.39Å; K195-D330 WeakPolarHBondContact CE-OD1 3.29Å; K195-D330 PolarHBondContact NZ-O 3.09Å; K195-D330 IonicContact NZ-OD1 3.46Å; K195-D330 PolarHBondContact NZ-OD1 2.78Å; K195-D330 VanDerWaalsContact NZ-OD1 3.09Å; K195-D330 IonicContact NZ-OD2 2.71Å; K195-D330 PolarHBondContact NZ-OD2 2.76Å; R199-D330 IonicContact CZ-OD1 2.7Å; R199-D330 IonicContact NH2-OD1 3.4Å; R199-D330 PolarHBondContact NH2-OD1 3.14Å; R326-D330 PolarHBondContact O-N 2.83Å; R326-D330 VanDerWaalsContact O-N 3.12Å; Y328-D330 PolarHBondContact O-N 3.46Å; D330-T334 WeakPolarHBondContact O-CB 3.44Å; D330-T334 PolarHBondContact O-N 3.32Å; D330-T334 VanDerWaalsContact O-N 3.14Å; D330-T334 PolarHBondContact O-OG1 3.45Å
331	A	92.8	Very high	92.1	Very high	7 Å²	7	35.6 Å²	35.6	6%	0.058	17%	0.167	C	C	.	.	H	α-helix	trans	-69.9	-43	171.2	0	0	0	0	0	112.4	R327 Y328 A329 F333 T334 Y335 L386	R327-A331 PolarHBondContact O-N 3.24Å; R327-A331 VanDerWaalsContact O-N 3.11Å; Y328-A331 CarbonylContact O-C 3.57Å; Y328-A331 WeakPolarHBondContact O-CA 3.26Å; Y328-A331 WeakPolarHBondContact O-CB 3.33Å; Y328-A331 PolarHBondContact O-N 3.03Å; Y328-A331 VanDerWaalsContact O-N 3.08Å; A329-A331 VanDerWaalsContact C-N 3.31Å; A329-A331 PolarHBondContact O-N 3.18Å; A331-F333 PolarHBondContact O-N 2.95Å; A331-T334 WeakPolarHBondContact O-CB 3.4Å; A331-T334 PolarHBondContact O-N 3.48Å; A331-T334 VanDerWaalsContact O-N 3.1Å; A331-Y335 PolarHBondContact O-N 3.48Å; A331-L386 HydrophobicContact CB-CD1 3.6Å
332	K	90.3	Very high	92.3	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.035	17%	0.167	C	C	.	.	H	α-helix	trans	-54	-51.4	172.9	179.4	-175.1	176.5	-173.6	0	111	D202 L219 D222 Y328 A329 T334 Y335 L336 F383	D202-K332 IonicContact OD2-NZ 3.47Å; L219-K332 HydrophobicContact CD1-CD 4.31Å; L219-K332 HydrophobicContact CD1-CG 3.83Å; D222-K332 IonicContact OD2-NZ 2.63Å; D222-K332 PolarHBondContact OD2-NZ 3Å; Y328-K332 HydrophobicContact CE1-CD 4.06Å; Y328-K332 WeakPolarHBondContact O-CB 3.42Å; Y328-K332 PolarHBondContact O-N 3.25Å; A329-K332 WeakPolarHBondContact O-CB 3.24Å; A329-K332 PolarHBondContact O-N 3.37Å; K332-T334 VanDerWaalsContact C-N 3.29Å; K332-T334 PolarHBondContact O-N 3Å; K332-Y335 PolarHBondContact O-N 3.46Å; K332-L336 HydrophobicContact CG-CD1 4.46Å; K332-L336 WeakPolarHBondContact O-CB 3.38Å; K332-L336 WeakPolarHBondContact O-CG 3.09Å; K332-L336 PolarHBondContact O-N 2.66Å; K332-F383 HydrophobicContact CB-CD2 3.81Å; K332-F383 HydrophobicContact CB-CE2 3.79Å; K332-F383 HydrophobicContact CG-CD2 4.37Å; K332-F383 HydrophobicContact CG-CE2 3.88Å
333	F	92	Very high	92.6	Very high	14 Å²	14	40.3 Å²	40.3	6%	0.061	19%	0.187	C	C	.	.	H	α-helix	trans	-64.3	-31.3	176.5	-56.4	-38.1	0	0	0	113.3	K195 H198 R199 D202 A329 A331 S337	K195-F333 HydrophobicContact CG-CB 3.94Å; H198-F333 HydrophobicContact CB-CB 4.18Å; H198-F333 HydrophobicContact CB-CD1 3.76Å; H198-F333 HydrophobicContact CB-CG 4.2Å; R199-F333 HydrophobicContact CB-CD2 4.03Å; R199-F333 HydrophobicContact CB-CE2 4.06Å; R199-F333 HydrophobicContact CG-CD2 4.35Å; R199-F333 HydrophobicContact CG-CE2 4.04Å; D202-F333 HydrophobicContact CB-CE1 3.67Å; D202-F333 HydrophobicContact CB-CZ 3.71Å; D202-F333 WeakPolarHBondContact OD2-CE1 3.49Å; D202-F333 WeakPolarHBondContact OD2-CZ 3.01Å; A329-F333 HydrophobicContact CB-CE2 4.2Å; A329-F333 HydrophobicContact CB-CZ 4.48Å; A329-F333 WeakPolarHBondContact O-CD2 3.39Å; A329-F333 VanDerWaalsContact O-CG 3.24Å; A329-F333 WeakPolarHBondContact O-CG 3.44Å; A329-F333 PolarHBondContact O-N 3.45Å; A331-F333 PolarHBondContact O-N 2.95Å; F333-S337 WeakPolarHBondContact O-CB 3.43Å; F333-S337 PolarHBondContact O-N 2.92Å; F333-S337 PolarHBondContact O-OG 3.4Å
334	T	93.6	Very high	92.7	Very high	33 Å²	33	40.8 Å²	40.8	20%	0.202	19%	0.188	C	C	.	.	H	α-helix	trans	-69	-48.1	175	-52.7	0	0	0	0	111.1	K195 D330 A331 K332 L336 S337 Y338	K195-T334 VanDerWaalsContact CE-OG1 3.26Å; K195-T334 WeakPolarHBondContact CE-OG1 3.23Å; K195-T334 PolarHBondContact NZ-OG1 2.95Å; D330-T334 WeakPolarHBondContact O-CB 3.44Å; D330-T334 PolarHBondContact O-N 3.32Å; D330-T334 VanDerWaalsContact O-N 3.14Å; D330-T334 PolarHBondContact O-OG1 3.45Å; A331-T334 WeakPolarHBondContact O-CB 3.4Å; A331-T334 PolarHBondContact O-N 3.48Å; A331-T334 VanDerWaalsContact O-N 3.1Å; K332-T334 VanDerWaalsContact C-N 3.29Å; K332-T334 PolarHBondContact O-N 3Å; T334-L336 PolarHBondContact O-N 2.63Å; T334-S337 WeakPolarHBondContact CA-OG 3.43Å; T334-S337 PolarHBondContact O-N 3.34Å; T334-S337 PolarHBondContact O-OG 3.27Å; T334-Y338 HydrophobicContact CG2-CD2 4.22Å; T334-Y338 HydrophobicContact CG2-CE2 3.74Å; T334-Y338 VanDerWaalsContact O-CD2 3.3Å; T334-Y338 WeakPolarHBondContact O-CD2 3.36Å; T334-Y338 PolarHBondContact O-N 3.33Å
335	Y	93.7	Very high	93	Very high	11 Å²	11	40.8 Å²	40.8	4%	0.043	19%	0.187	C	C	.	.	H	α-helix	trans	-60.2	-45.4	176.1	174.9	-125.2	0	0	0	111.8	A331 K332 S337 Y338 C339 R376 A379 R380 F383	A331-Y335 PolarHBondContact O-N 3.48Å; K332-Y335 PolarHBondContact O-N 3.46Å; Y335-S337 PolarHBondContact O-N 3.45Å; Y335-Y338 PolarHBondContact O-N 2.94Å; Y335-C339 WeakPolarHBondContact CE2-SG 3.37Å; Y335-C339 PolarHBondContact O-N 3.07Å; Y335-C339 PolarHBondContact O-SG 3.05Å; Y335-R376 HydrophobicContact CD2-CG 4.31Å; Y335-R376 HydrophobicContact CE2-CG 3.86Å; Y335-A379 HydrophobicContact CD2-CB 4.25Å; Y335-R380 HydrophobicContact CD2-CB 3.91Å; Y335-R380 HydrophobicContact CE2-CB 3.53Å; Y335-R380 HydrophobicContact CE2-CG 4.05Å; Y335-R380 PolarHBondContact OH-NH1 3.38Å; Y335-F383 HydrophobicContact CD1-CD1 4.05Å; Y335-F383 HydrophobicContact CD1-CE1 4.35Å; Y335-F383 HydrophobicContact CD1-CG 4.38Å; Y335-F383 HydrophobicContact CE1-CD1 4.45Å
336	L	92	Very high	93.3	Very high	16 Å²	16	43.3 Å²	43.3	8%	0.084	20%	0.201	C	C	.	.	H	α-helix	trans	-58.9	-43.3	174.5	-76.7	179	0	0	0	112.8	A217 L219 K332 T334 Y338 C339 L340	A217-L336 HydrophobicContact CB-CD1 3.99Å; A217-L336 HydrophobicContact CB-CD2 3.76Å; A217-L336 HydrophobicContact CB-CG 4.45Å; L219-L336 HydrophobicContact CD1-CD1 3.92Å; L219-L336 HydrophobicContact CD1-CD2 3.82Å; L219-L336 HydrophobicContact CD1-CG 3.95Å; L219-L336 HydrophobicContact CG-CD2 4.06Å; K332-L336 HydrophobicContact CG-CD1 4.46Å; K332-L336 WeakPolarHBondContact O-CB 3.38Å; K332-L336 WeakPolarHBondContact O-CG 3.09Å; K332-L336 PolarHBondContact O-N 2.66Å; T334-L336 PolarHBondContact O-N 2.63Å; L336-Y338 VanDerWaalsContact C-N 3.26Å; L336-Y338 PolarHBondContact O-N 3.19Å; L336-C339 PolarHBondContact O-N 3.4Å; L336-C339 VanDerWaalsContact O-N 3.15Å; L336-L340 WeakPolarHBondContact O-CB 3.49Å; L336-L340 PolarHBondContact O-N 2.8Å
337	S	94.1	Very high	93.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62	-33.3	178.7	62	0	0	0	0	113.1	I191 F333 T334 Y335 K341	I191-S337 WeakPolarHBondContact CD1-O 3.17Å; F333-S337 WeakPolarHBondContact O-CB 3.43Å; F333-S337 PolarHBondContact O-N 2.92Å; F333-S337 PolarHBondContact O-OG 3.4Å; T334-S337 WeakPolarHBondContact CA-OG 3.43Å; T334-S337 PolarHBondContact O-N 3.34Å; T334-S337 PolarHBondContact O-OG 3.27Å; Y335-S337 PolarHBondContact O-N 3.45Å; S337-K341 PolarHBondContact O-N 3.29Å
338	Y	95.7	Very high	93.7	Very high	13 Å²	13	36.1 Å²	36.1	5%	0.051	18%	0.184	C	C	.	.	H	α-helix	trans	-75.1	-39.8	172	-68.6	-56.6	0	0	0	112.7	I191 T334 Y335 L336 L340 K341 V342 I372 C375 A379	I191-Y338 HydrophobicContact CB-CE1 4.47Å; I191-Y338 HydrophobicContact CD1-CD1 3.62Å; I191-Y338 HydrophobicContact CD1-CE1 3.92Å; I191-Y338 HydrophobicContact CG1-CD1 4.12Å; I191-Y338 HydrophobicContact CG1-CE1 3.89Å; I191-Y338 HydrophobicContact CG2-CD1 4.32Å; I191-Y338 HydrophobicContact CG2-CE1 3.81Å; T334-Y338 HydrophobicContact CG2-CD2 4.22Å; T334-Y338 HydrophobicContact CG2-CE2 3.74Å; T334-Y338 VanDerWaalsContact O-CD2 3.3Å; T334-Y338 WeakPolarHBondContact O-CD2 3.36Å; T334-Y338 PolarHBondContact O-N 3.33Å; Y335-Y338 PolarHBondContact O-N 2.94Å; L336-Y338 VanDerWaalsContact C-N 3.26Å; L336-Y338 PolarHBondContact O-N 3.19Å; Y338-L340 VanDerWaalsContact C-N 3.35Å; Y338-L340 PolarHBondContact O-N 2.94Å; Y338-K341 PolarHBondContact O-N 2.92Å; Y338-K341 VanDerWaalsContact O-N 3.17Å; Y338-V342 WeakPolarHBondContact O-CG2 3.5Å; Y338-V342 PolarHBondContact O-N 3.4Å; Y338-I372 HydrophobicContact CD1-CD1 4.24Å; Y338-I372 HydrophobicContact CD1-CG2 4.33Å; Y338-I372 HydrophobicContact CE1-CD1 4.24Å; Y338-C375 HydrophobicContact CD1-CB 4.04Å; Y338-C375 HydrophobicContact CD2-CB 4.29Å; Y338-C375 HydrophobicContact CE1-CB 3.61Å; Y338-C375 HydrophobicContact CE2-CB 3.86Å; Y338-C375 HydrophobicContact CG-CB 4.38Å; Y338-A379 HydrophobicContact CD2-CB 3.78Å; Y338-A379 HydrophobicContact CE2-CB 4.14Å
339	C	94.1	Very high	93.8	Very high	15 Å²	15	37.7 Å²	37.7	10%	0.101	19%	0.191	C	C	.	.	H	α-helix	trans	-61.2	-43.6	175.7	-64.2	0	0	0	0	111.8	Y335 L336 K341 V342 K343 R376	Y335-C339 WeakPolarHBondContact CE2-SG 3.37Å; Y335-C339 PolarHBondContact O-N 3.07Å; Y335-C339 PolarHBondContact O-SG 3.05Å; L336-C339 PolarHBondContact O-N 3.4Å; L336-C339 VanDerWaalsContact O-N 3.15Å; C339-K341 VanDerWaalsContact C-N 3.29Å; C339-K341 PolarHBondContact O-N 3.04Å; C339-V342 PolarHBondContact O-N 3.37Å; C339-K343 PolarHBondContact O-N 3.12Å; C339-R376 PolarHBondContact SG-NE 2.82Å
340	L	93	Very high	94.1	Very high	62 Å²	62	43.2 Å²	43.2	33%	0.325	21%	0.213	S	C	.	.	H	α-helix	trans	-63.5	-33.9	175.2	-176.8	58.9	0	0	0	112.1	K194 L336 Y338 E344	K194-L340 HydrophobicContact CD-CB 4.25Å; K194-L340 HydrophobicContact CD-CD2 4.07Å; K194-L340 HydrophobicContact CD-CG 4.08Å; K194-L340 HydrophobicContact CG-CD2 4.3Å; L336-L340 WeakPolarHBondContact O-CB 3.49Å; L336-L340 PolarHBondContact O-N 2.8Å; Y338-L340 VanDerWaalsContact C-N 3.35Å; Y338-L340 PolarHBondContact O-N 2.94Å; L340-E344 WeakPolarHBondContact O-CB 3.32Å; L340-E344 PolarHBondContact O-N 3.07Å
341	K	95.2	Very high	94.3	Very high	39 Å²	39	42.1 Å²	42.1	17%	0.17	22%	0.215	C	C	.	.	H	α-helix	trans	-73.9	-39.5	175	-173.8	57.2	173.3	-163.2	0	113.3	D190 I191 K194 S337 Y338 C339 K343 E344 M345 I372	D190-K341 WeakPolarHBondContact OD2-CD 3.39Å; D190-K341 WeakPolarHBondContact OD2-CE 3.43Å; D190-K341 IonicContact OD2-NZ 2.73Å; D190-K341 PolarHBondContact OD2-NZ 2.79Å; I191-K341 HydrophobicContact CD1-CB 3.62Å; I191-K341 HydrophobicContact CD1-CG 4.02Å; K194-K341 HydrophobicContact CD-CB 4.34Å; S337-K341 PolarHBondContact O-N 3.29Å; Y338-K341 PolarHBondContact O-N 2.92Å; Y338-K341 VanDerWaalsContact O-N 3.17Å; C339-K341 VanDerWaalsContact C-N 3.29Å; C339-K341 PolarHBondContact O-N 3.04Å; K341-K343 VanDerWaalsContact C-N 3.34Å; K341-E344 IonicContact NZ-OE1 3.55Å; K341-E344 PolarHBondContact NZ-OE1 3.19Å; K341-E344 PolarHBondContact O-N 2.63Å; K341-M345 HydrophobicContact CD-CG 4.3Å; K341-M345 HydrophobicContact CD-SD 4.23Å; K341-M345 HydrophobicContact CG-SD 4.02Å; K341-M345 VanDerWaalsContact O-CG 3.29Å; K341-M345 WeakPolarHBondContact O-CG 3.43Å; K341-M345 PolarHBondContact O-N 3.19Å; K341-M345 VanDerWaalsContact O-N 3.08Å; K341-I372 HydrophobicContact CB-CG2 4.26Å; K341-I372 HydrophobicContact CG-CD1 4.44Å; K341-I372 HydrophobicContact CG-CG1 4.4Å; K341-I372 HydrophobicContact CG-CG2 4.13Å
342	V	96.1	Very high	94.3	Very high	9 Å²	9	44.9 Å²	44.9	6%	0.055	23%	0.225	C	C	.	.	H	α-helix	trans	-57.8	-50.2	172.8	170.2	0	0	0	0	109.6	Y338 C339 E344 M345 D346 Y369 I372 L373	Y338-V342 WeakPolarHBondContact O-CG2 3.5Å; Y338-V342 PolarHBondContact O-N 3.4Å; C339-V342 PolarHBondContact O-N 3.37Å; V342-E344 PolarHBondContact O-N 2.79Å; V342-M345 PolarHBondContact O-N 3.43Å; V342-M345 VanDerWaalsContact O-N 3.08Å; V342-D346 WeakPolarHBondContact CG1-OD2 3.45Å; V342-D346 VanDerWaalsContact O-CG 3.29Å; V342-D346 PolarHBondContact O-N 3.26Å; V342-Y369 HydrophobicContact CG1-CE2 4.06Å; V342-I372 HydrophobicContact CG2-CG2 3.69Å; V342-L373 HydrophobicContact CG1-CD2 4.24Å; V342-L373 HydrophobicContact CG2-CD2 4.04Å
343	K	94.8	Very high	94.3	Very high	115 Å²	115	47.2 Å²	47.2	50%	0.5	25%	0.246	S	C	.	.	H	α-helix	trans	-58.5	-44.6	177.4	-179	168.7	-177.6	170.2	0	113.2	C339 K341 M345 D346 D347	C339-K343 PolarHBondContact O-N 3.12Å; K341-K343 VanDerWaalsContact C-N 3.34Å; K343-M345 PolarHBondContact O-N 2.97Å; K343-D346 PolarHBondContact O-N 2.75Å; K343-D347 WeakPolarHBondContact CG-OD2 3.48Å; K343-D347 WeakPolarHBondContact O-CB 3.42Å; K343-D347 VanDerWaalsContact O-CG 3.28Å; K343-D347 PolarHBondContact O-N 2.79Å
344	E	95.4	Very high	94.4	Very high	84 Å²	84	50.2 Å²	50.2	39%	0.393	27%	0.274	S	S	.	.	H	α-helix	trans	-58.3	-37	176.1	-177.1	-173.9	111.5	0	0	112.6	K194 L340 K341 V342 E348	K194-E344 WeakPolarHBondContact CE-OE2 3.4Å; K194-E344 IonicContact NZ-OE1 3.63Å; K194-E344 IonicContact NZ-OE2 3.99Å; K194-E344 PolarHBondContact NZ-OE2 3.37Å; L340-E344 WeakPolarHBondContact O-CB 3.32Å; L340-E344 PolarHBondContact O-N 3.07Å; K341-E344 IonicContact NZ-OE1 3.55Å; K341-E344 PolarHBondContact NZ-OE1 3.19Å; K341-E344 PolarHBondContact O-N 2.63Å; V342-E344 PolarHBondContact O-N 2.79Å; E344-E348 WeakPolarHBondContact O-CB 3.31Å; E344-E348 PolarHBondContact O-N 2.89Å; E344-E348 VanDerWaalsContact O-N 3.14Å
345	M	96.2	Very high	94.4	Very high	8 Å²	8	54.4 Å²	54.4	4%	0.039	29%	0.294	C	S	.	.	H	α-helix	trans	-79.2	-32.2	177.6	-64.7	174.4	78.1	0	0	112.6	K341 V342 K343 E349 E368 Y369 I372	K341-M345 HydrophobicContact CD-CG 4.3Å; K341-M345 HydrophobicContact CD-SD 4.23Å; K341-M345 HydrophobicContact CG-SD 4.02Å; K341-M345 VanDerWaalsContact O-CG 3.29Å; K341-M345 WeakPolarHBondContact O-CG 3.43Å; K341-M345 PolarHBondContact O-N 3.19Å; K341-M345 VanDerWaalsContact O-N 3.08Å; V342-M345 PolarHBondContact O-N 3.43Å; V342-M345 VanDerWaalsContact O-N 3.08Å; K343-M345 PolarHBondContact O-N 2.97Å; M345-E349 WeakPolarHBondContact O-CB 3.26Å; M345-E349 WeakPolarHBondContact O-CG 3.35Å; M345-E349 PolarHBondContact O-N 3.15Å; M345-E368 HydrophobicContact CE-CB 4.41Å; M345-Y369 HydrophobicContact CB-CD2 3.79Å; M345-Y369 HydrophobicContact CB-CE2 4.16Å; M345-Y369 HydrophobicContact CE-CD2 4.17Å; M345-Y369 HydrophobicContact CE-CG 4.49Å; M345-Y369 HydrophobicContact SD-CD2 4.24Å; M345-I372 HydrophobicContact SD-CG1 4.41Å
346	D	95.6	Very high	94.2	Very high	64 Å²	64	62.4 Å²	62.4	34%	0.342	33%	0.332	S	S	.	.	H	α-helix	trans	-67	-44.7	171.8	-67.3	-33.1	0	0	0	111.3	V342 K343 E348 E349 H350 Y369	V342-D346 WeakPolarHBondContact CG1-OD2 3.45Å; V342-D346 VanDerWaalsContact O-CG 3.29Å; V342-D346 PolarHBondContact O-N 3.26Å; K343-D346 PolarHBondContact O-N 2.75Å; D346-E348 VanDerWaalsContact C-N 3.34Å; D346-E349 PolarHBondContact O-N 3.49Å; D346-H350 WeakPolarHBondContact O-CB 3.32Å; D346-H350 PolarHBondContact O-N 3.07Å; D346-Y369 VanDerWaalsContact OD1-CE2 3.23Å; D346-Y369 WeakPolarHBondContact OD1-CE2 3.24Å; D346-Y369 VanDerWaalsContact OD1-CZ 3.23Å; D346-Y369 PolarHBondContact OD1-OH 3.18Å
347	D	96.1	Very high	94.2	Very high	98 Å²	98	66.6 Å²	66.6	52%	0.524	35%	0.351	S	S	.	.	H	α-helix	trans	-63.8	-39.3	177.3	-73.1	-26.9	0	0	0	110.7	K343 G351	K343-D347 WeakPolarHBondContact CG-OD2 3.48Å; K343-D347 WeakPolarHBondContact O-CB 3.42Å; K343-D347 VanDerWaalsContact O-CG 3.28Å; K343-D347 PolarHBondContact O-N 2.79Å; D347-G351 PolarHBondContact O-N 3.14Å
348	E	95.5	Very high	93.9	Very high	75 Å²	75	70.4 Å²	70.4	35%	0.35	38%	0.376	S	S	.	.	H	α-helix	trans	-63.5	-50.1	171.6	-179.2	-168.6	-148.7	0	0	111.9	E344 D346 H350 G351 F352 L359 R361	E344-E348 WeakPolarHBondContact O-CB 3.31Å; E344-E348 PolarHBondContact O-N 2.89Å; E344-E348 VanDerWaalsContact O-N 3.14Å; D346-E348 VanDerWaalsContact C-N 3.34Å; E348-H350 VanDerWaalsContact C-N 3.26Å; E348-H350 PolarHBondContact O-N 2.9Å; E348-G351 WeakPolarHBondContact O-CA 3.49Å; E348-G351 PolarHBondContact O-N 3.12Å; E348-F352 HydrophobicContact CG-CD2 3.9Å; E348-F352 HydrophobicContact CG-CE2 3.89Å; E348-F352 WeakPolarHBondContact O-CD2 3.43Å; E348-F352 PolarHBondContact O-N 2.9Å; E348-L359 HydrophobicContact CG-CD2 4.15Å; E348-R361 IonicContact OE1-NH1 2.72Å; E348-R361 IonicContact OE2-CZ 2.75Å; E348-R361 VanDerWaalsContact OE2-CZ 3.24Å; E348-R361 IonicContact OE2-NH1 2.63Å; E348-R361 PolarHBondContact OE2-NH1 3.18Å; E348-R361 IonicContact OE2-NH2 2.77Å; E348-R361 PolarHBondContact OE2-NH2 2.99Å
349	E	94.1	Very high	93.8	Very high	40 Å²	40	70.8 Å²	70.8	19%	0.187	38%	0.379	C	S	.	.	H	α-helix	trans	-60.7	-36.1	178.1	-83	175.2	-138.1	0	0	112.1	M345 D346 A353 L359 R361 V362 N366	M345-E349 WeakPolarHBondContact O-CB 3.26Å; M345-E349 WeakPolarHBondContact O-CG 3.35Å; M345-E349 PolarHBondContact O-N 3.15Å; D346-E349 PolarHBondContact O-N 3.49Å; E349-A353 WeakPolarHBondContact O-CB 3.41Å; E349-A353 PolarHBondContact O-N 2.7Å; E349-L359 HydrophobicContact CG-CD2 3.72Å; E349-R361 IonicContact OE1-CZ 3.85Å; E349-R361 IonicContact OE1-NE 2.64Å; E349-R361 IonicContact OE1-NH2 3.24Å; E349-R361 PolarHBondContact OE1-NH2 2.79Å; E349-V362 HydrophobicContact CG-CG2 3.71Å; E349-N366 PolarHBondContact OE1-ND2 3.35Å; E349-N366 PolarHBondContact OE1-OD1 3.3Å; E349-N366 PolarHBondContact OE2-ND2 3.42Å
350	H	93.7	Very high	93.8	Very high	142 Å²	142	75.2 Å²	75.2	66%	0.657	39%	0.394	S	S	*	.	H	α-helix	trans	-66.6	-40.2	172.6	-162.6	80.6	0	0	0	112.2	D346 E348 A353 A354	D346-H350 WeakPolarHBondContact O-CB 3.32Å; D346-H350 PolarHBondContact O-N 3.07Å; E348-H350 VanDerWaalsContact C-N 3.26Å; E348-H350 PolarHBondContact O-N 2.9Å; H350-A353 PolarHBondContact O-N 2.89Å; H350-A354 WeakPolarHBondContact O-CB 3.46Å; H350-A354 PolarHBondContact O-N 3.43Å
351	G	95.4	Very high	93.8	Very high	32 Å²	32	73.3 Å²	73.3	33%	0.33	38%	0.383	S	S	.	.	H	α-helix	trans	-60.7	-52	175.7	0	0	0	0	0	113.1	D347 E348 A353 A354 L355	D347-G351 PolarHBondContact O-N 3.14Å; E348-G351 WeakPolarHBondContact O-CA 3.49Å; E348-G351 PolarHBondContact O-N 3.12Å; G351-A353 PolarHBondContact O-N 3Å; G351-A354 PolarHBondContact O-N 3.34Å; G351-L355 WeakPolarHBondContact O-CG 3.27Å; G351-L355 PolarHBondContact O-N 3.48Å; G351-L355 VanDerWaalsContact O-N 3.1Å
352	F	94.6	Very high	93.7	Very high	64 Å²	64	72.2 Å²	72.2	28%	0.281	38%	0.379	S	S	.	.	H	α-helix	trans	-62.2	-41.5	176.6	-83	-84.5	0	0	0	112	E348 A354 L355 Q356 E357 L359	E348-F352 HydrophobicContact CG-CD2 3.9Å; E348-F352 HydrophobicContact CG-CE2 3.89Å; E348-F352 WeakPolarHBondContact O-CD2 3.43Å; E348-F352 PolarHBondContact O-N 2.9Å; F352-A354 PolarHBondContact O-N 3.38Å; F352-L355 CarbonylContact O-C 3.58Å; F352-L355 PolarHBondContact O-N 2.98Å; F352-Q356 PolarHBondContact O-N 3.27Å; F352-E357 HydrophobicContact CD1-CB 3.89Å; F352-E357 PolarHBondContact O-N 3Å; F352-L359 HydrophobicContact CB-CB 4.11Å; F352-L359 HydrophobicContact CD1-CB 4.32Å; F352-L359 HydrophobicContact CD2-CB 4.27Å; F352-L359 HydrophobicContact CD2-CD1 3.96Å; F352-L359 HydrophobicContact CD2-CD2 3.95Å; F352-L359 HydrophobicContact CD2-CG 4.28Å; F352-L359 HydrophobicContact CE1-CD1 4.47Å; F352-L359 HydrophobicContact CE2-CD1 3.79Å; F352-L359 HydrophobicContact CE2-CD2 4.47Å; F352-L359 HydrophobicContact CG-CB 3.98Å; F352-L359 HydrophobicContact CG-CD1 4.38Å; F352-L359 HydrophobicContact CG-CD2 4.44Å; F352-L359 HydrophobicContact CG-CG 4.49Å; F352-L359 HydrophobicContact CZ-CD1 4.07Å
353	A	90.1	Very high	93.5	Very high	58 Å²	58	75.3 Å²	75.3	48%	0.479	39%	0.393	S	S	.	.	H	α-helix	trans	-63.2	-37.9	176.1	0	0	0	0	0	113.1	E349 H350 G351 L355 Q356	E349-A353 WeakPolarHBondContact O-CB 3.41Å; E349-A353 PolarHBondContact O-N 2.7Å; H350-A353 PolarHBondContact O-N 2.89Å; G351-A353 PolarHBondContact O-N 3Å; A353-L355 VanDerWaalsContact C-N 3.35Å; A353-Q356 PolarHBondContact O-N 3.21Å
354	A	93.6	Very high	93.4	Very high	77 Å²	77	69.9 Å²	69.9	64%	0.636	37%	0.37	S	S	*	.	H	α-helix	trans	-68.7	-31.9	175.9	0	0	0	0	0	112.9	H350 G351 F352 Q356	H350-A354 WeakPolarHBondContact O-CB 3.46Å; H350-A354 PolarHBondContact O-N 3.43Å; G351-A354 PolarHBondContact O-N 3.34Å; F352-A354 PolarHBondContact O-N 3.38Å; A354-Q356 VanDerWaalsContact C-N 3.3Å
355	L	93.8	Very high	93.2	Very high	121 Å²	121	65.9 Å²	65.9	63%	0.634	35%	0.351	S	S	*	.	H	α-helix	trans	-79.7	-9.3	172.8	-66.1	173.2	0	0	0	113.6	G351 F352 A353 E357	G351-L355 WeakPolarHBondContact O-CG 3.27Å; G351-L355 PolarHBondContact O-N 3.48Å; G351-L355 VanDerWaalsContact O-N 3.1Å; F352-L355 CarbonylContact O-C 3.58Å; F352-L355 PolarHBondContact O-N 2.98Å; A353-L355 VanDerWaalsContact C-N 3.35Å; L355-E357 HydrophobicContact CB-CB 4.43Å; L355-E357 HydrophobicContact CB-CG 4.14Å; L355-E357 PolarHBondContact O-N 2.92Å
356	Q	89.8	Confident	93.1	Very high	178 Å²	178	65.5 Å²	65.5	83%	0.832	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	25	-170.9	-53.1	-174.6	-12.2	0	0	113.9	F352 A353 A354	F352-Q356 PolarHBondContact O-N 3.27Å; A353-Q356 PolarHBondContact O-N 3.21Å; A354-Q356 VanDerWaalsContact C-N 3.3Å
357	E	91.9	Very high	93	Very high	104 Å²	104	62.8 Å²	62.8	49%	0.486	33%	0.334	S	S	.	.			trans	-94.5	143.1	179.2	-71.3	-168.7	161.9	0	0	112	F352 L355 L359	F352-E357 HydrophobicContact CD1-CB 3.89Å; F352-E357 PolarHBondContact O-N 3Å; L355-E357 HydrophobicContact CB-CB 4.43Å; L355-E357 HydrophobicContact CB-CG 4.14Å; L355-E357 PolarHBondContact O-N 2.92Å; E357-L359 PolarHBondContact O-N 2.84Å
358	P	87.5	Confident	92.8	Very high	80 Å²	80	61.3 Å²	61.3	52%	0.519	32%	0.324	S	S	.	.			trans	-76.1	121.7	177.2	29.7	-32.9	0	0	0	111.6	E363	P358-E363 HydrophobicContact CB-CG 4.27Å; P358-E363 WeakPolarHBondContact CB-OE1 3.26Å
359	L	93.7	Very high	92.8	Very high	22 Å²	22	58.3 Å²	58.3	12%	0.115	31%	0.309	C	S	.	.			trans	-89.5	112.9	171.8	-179	53.9	0	0	0	110.3	E348 E349 F352 E357 R361 V362 E363	E348-L359 HydrophobicContact CG-CD2 4.15Å; E349-L359 HydrophobicContact CG-CD2 3.72Å; F352-L359 HydrophobicContact CB-CB 4.11Å; F352-L359 HydrophobicContact CD1-CB 4.32Å; F352-L359 HydrophobicContact CD2-CB 4.27Å; F352-L359 HydrophobicContact CD2-CD1 3.96Å; F352-L359 HydrophobicContact CD2-CD2 3.95Å; F352-L359 HydrophobicContact CD2-CG 4.28Å; F352-L359 HydrophobicContact CE1-CD1 4.47Å; F352-L359 HydrophobicContact CE2-CD1 3.79Å; F352-L359 HydrophobicContact CE2-CD2 4.47Å; F352-L359 HydrophobicContact CG-CB 3.98Å; F352-L359 HydrophobicContact CG-CD1 4.38Å; F352-L359 HydrophobicContact CG-CD2 4.44Å; F352-L359 HydrophobicContact CG-CG 4.49Å; F352-L359 HydrophobicContact CZ-CD1 4.07Å; E357-L359 PolarHBondContact O-N 2.84Å; L359-R361 VanDerWaalsContact C-N 3.27Å; L359-R361 HydrophobicContact CG-CB 4.46Å; L359-R361 PolarHBondContact O-N 3.01Å; L359-R361 VanDerWaalsContact O-N 3.12Å; L359-V362 HydrophobicContact CB-CB 4.49Å; L359-V362 HydrophobicContact CB-CG2 4.15Å; L359-V362 HydrophobicContact CD2-CG2 4.03Å; L359-V362 HydrophobicContact CG-CG2 4.16Å; L359-V362 WeakPolarHBondContact O-CA 3.26Å; L359-V362 WeakPolarHBondContact O-CB 3.28Å; L359-V362 PolarHBondContact O-N 3.42Å; L359-E363 PolarHBondContact O-N 2.89Å; L359-E363 VanDerWaalsContact O-N 3.09Å
360	Y	92.8	Very high	92.9	Very high	107 Å²	107	56.4 Å²	56.4	42%	0.42	30%	0.3	S	S	.	.	H	α-helix	trans	-47.3	-44.6	-175.9	175.6	-97.6	0	0	0	113.8	E85 V362 E363 T364	E85-Y360 PolarHBondContact OE1-OH 3.39Å; Y360-V362 PolarHBondContact O-N 3.42Å; Y360-E363 PolarHBondContact O-N 3.24Å; Y360-T364 HydrophobicContact CD1-CG2 4.43Å; Y360-T364 HydrophobicContact CD2-CG2 4.11Å; Y360-T364 HydrophobicContact CE1-CG2 4.01Å; Y360-T364 HydrophobicContact CE2-CG2 3.68Å; Y360-T364 HydrophobicContact CG-CG2 4.48Å; Y360-T364 WeakPolarHBondContact O-CG2 3.49Å; Y360-T364 PolarHBondContact O-N 3.02Å; Y360-T364 PolarHBondContact O-OG1 2.73Å
361	R	93.6	Very high	92.9	Very high	23 Å²	23	50.1 Å²	50.1	9%	0.087	27%	0.272	C	S	.	.	H	α-helix	trans	-56.2	-39.1	178.6	-171.3	-170.7	57.2	-118.5	8.6	112	E348 E349 L359 T364 N366 E368	E348-R361 IonicContact OE1-NH1 2.72Å; E348-R361 IonicContact OE2-CZ 2.75Å; E348-R361 VanDerWaalsContact OE2-CZ 3.24Å; E348-R361 IonicContact OE2-NH1 2.63Å; E348-R361 PolarHBondContact OE2-NH1 3.18Å; E348-R361 IonicContact OE2-NH2 2.77Å; E348-R361 PolarHBondContact OE2-NH2 2.99Å; E349-R361 IonicContact OE1-CZ 3.85Å; E349-R361 IonicContact OE1-NE 2.64Å; E349-R361 IonicContact OE1-NH2 3.24Å; E349-R361 PolarHBondContact OE1-NH2 2.79Å; L359-R361 VanDerWaalsContact C-N 3.27Å; L359-R361 HydrophobicContact CG-CB 4.46Å; L359-R361 PolarHBondContact O-N 3.01Å; L359-R361 VanDerWaalsContact O-N 3.12Å; R361-T364 PolarHBondContact O-OG1 2.99Å; R361-N366 WeakPolarHBondContact CD-OD1 3.33Å; R361-N366 VanDerWaalsContact CG-OD1 3.26Å; R361-N366 WeakPolarHBondContact CG-OD1 3.32Å; R361-N366 PolarHBondContact NE-OD1 2.92Å; R361-N366 WeakPolarHBondContact O-CA 3.26Å; R361-N366 PolarHBondContact O-N 2.96Å; R361-E368 HydrophobicContact CG-CB 4.43Å
362	V	94.1	Very high	92.9	Very high	15 Å²	15	49.1 Å²	49.1	9%	0.091	26%	0.259	C	S	.	.	H	α-helix	trans	-75.9	-43.6	179.3	-176.5	0	0	0	0	110.7	M118 C119 P120 E349 L359 Y360 T364 G365	M118-V362 HydrophobicContact CB-CG1 4.09Å; C119-V362 HydrophobicContact CB-CG1 3.7Å; P120-V362 WeakPolarHBondContact CD-O 3.35Å; E349-V362 HydrophobicContact CG-CG2 3.71Å; L359-V362 HydrophobicContact CB-CB 4.49Å; L359-V362 HydrophobicContact CB-CG2 4.15Å; L359-V362 HydrophobicContact CD2-CG2 4.03Å; L359-V362 HydrophobicContact CG-CG2 4.16Å; L359-V362 WeakPolarHBondContact O-CA 3.26Å; L359-V362 WeakPolarHBondContact O-CB 3.28Å; L359-V362 PolarHBondContact O-N 3.42Å; Y360-V362 PolarHBondContact O-N 3.42Å; V362-T364 PolarHBondContact O-N 2.85Å; V362-T364 VanDerWaalsContact O-N 3.16Å; V362-G365 PolarHBondContact O-N 3.15Å; V362-G365 VanDerWaalsContact O-N 3.08Å
363	E	91.7	Very high	93	Very high	74 Å²	74	46.2 Å²	46.2	35%	0.346	25%	0.246	S	C	.	.	H	α-helix	trans	-56.2	-31.7	175.4	-65.4	-163.8	137.6	0	0	112.8	R81 P120 P358 L359 Y360	R81-E363 IonicContact NH1-OE2 2.71Å; P120-E363 VanDerWaalsContact CD-O 3.28Å; P120-E363 WeakPolarHBondContact CD-O 3.49Å; P120-E363 WeakPolarHBondContact CG-O 3.45Å; P358-E363 HydrophobicContact CB-CG 4.27Å; P358-E363 WeakPolarHBondContact CB-OE1 3.26Å; L359-E363 PolarHBondContact O-N 2.89Å; L359-E363 VanDerWaalsContact O-N 3.09Å; Y360-E363 PolarHBondContact O-N 3.24Å
364	T	91.6	Very high	93.2	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.012	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	11.6	-178.8	60.1	0	0	0	0	114.4	R81 Q82 E85 Y360 R361 V362 Y367	R81-T364 HydrophobicContact CB-CG2 3.81Å; Q82-T364 WeakPolarHBondContact CG-O 3.37Å; E85-T364 HydrophobicContact CG-CG2 4.27Å; Y360-T364 HydrophobicContact CD1-CG2 4.43Å; Y360-T364 HydrophobicContact CD2-CG2 4.11Å; Y360-T364 HydrophobicContact CE1-CG2 4.01Å; Y360-T364 HydrophobicContact CE2-CG2 3.68Å; Y360-T364 HydrophobicContact CG-CG2 4.48Å; Y360-T364 WeakPolarHBondContact O-CG2 3.49Å; Y360-T364 PolarHBondContact O-N 3.02Å; Y360-T364 PolarHBondContact O-OG1 2.73Å; R361-T364 PolarHBondContact O-OG1 2.99Å; V362-T364 PolarHBondContact O-N 2.85Å; V362-T364 VanDerWaalsContact O-N 3.16Å; T364-Y367 VanDerWaalsContact O-CD2 3.24Å; T364-Y367 WeakPolarHBondContact O-CD2 3.25Å; T364-Y367 WeakPolarHBondContact O-CE2 3.43Å
365	G	91.5	Very high	93.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.7	12.1	172.4	0	0	0	0	0	115.7	V362 Y367 R370	V362-G365 PolarHBondContact O-N 3.15Å; V362-G365 VanDerWaalsContact O-N 3.08Å; G365-Y367 VanDerWaalsContact C-N 3.31Å; G365-Y367 PolarHBondContact O-N 3.19Å; G365-R370 VanDerWaalsContact O-CD 3.26Å; G365-R370 WeakPolarHBondContact O-CD 3.28Å
366	N	94.7	Very high	93.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.176	C	C	.	.			trans	53.6	36.2	175.5	-142.6	4.1	0	0	0	115.5	Y123 E349 R361 E368 Y369 R370	Y123-N366 HydrophobicContact CE1-CB 3.94Å; Y123-N366 PolarHBondContact OH-ND2 2.63Å; E349-N366 PolarHBondContact OE1-ND2 3.35Å; E349-N366 PolarHBondContact OE1-OD1 3.3Å; E349-N366 PolarHBondContact OE2-ND2 3.42Å; R361-N366 WeakPolarHBondContact CD-OD1 3.33Å; R361-N366 VanDerWaalsContact CG-OD1 3.26Å; R361-N366 WeakPolarHBondContact CG-OD1 3.32Å; R361-N366 PolarHBondContact NE-OD1 2.92Å; R361-N366 WeakPolarHBondContact O-CA 3.26Å; R361-N366 PolarHBondContact O-N 2.96Å; N366-E368 PolarHBondContact O-N 3.36Å; N366-Y369 WeakPolarHBondContact O-CB 3.34Å; N366-Y369 PolarHBondContact O-N 3.01Å; N366-Y369 VanDerWaalsContact O-N 3.16Å; N366-Y369 WeakPolarHBondContact OD1-CB 3.19Å; N366-R370 VanDerWaalsContact O-CG 3.31Å; N366-R370 WeakPolarHBondContact O-CG 3.34Å; N366-R370 PolarHBondContact O-N 2.96Å
367	Y	93	Very high	93.7	Very high	7 Å²	7	30.9 Å²	30.9	3%	0.027	15%	0.146	C	C	.	.	H	α-helix	trans	-60	-40.2	-173.1	-72	-67.5	0	0	0	114.1	Q82 E85 L86 T364 G365 Y369 R370 L371	Q82-Y367 HydrophobicContact CB-CE2 4.06Å; Q82-Y367 HydrophobicContact CG-CE2 4.08Å; Q82-Y367 WeakPolarHBondContact O-CE2 3.37Å; E85-Y367 HydrophobicContact CB-CD2 3.75Å; E85-Y367 HydrophobicContact CB-CE2 4.4Å; L86-Y367 HydrophobicContact CD1-CE1 4.15Å; L86-Y367 HydrophobicContact CD2-CD1 3.71Å; L86-Y367 HydrophobicContact CD2-CE1 3.48Å; L86-Y367 VanDerWaalsContact CD2-CE1 3.48Å; L86-Y367 HydrophobicContact CD2-CG 4.4Å; L86-Y367 HydrophobicContact CG-CD1 4.16Å; L86-Y367 HydrophobicContact CG-CD2 4.47Å; L86-Y367 HydrophobicContact CG-CE1 3.73Å; L86-Y367 HydrophobicContact CG-CE2 4.04Å; T364-Y367 VanDerWaalsContact O-CD2 3.24Å; T364-Y367 WeakPolarHBondContact O-CD2 3.25Å; T364-Y367 WeakPolarHBondContact O-CE2 3.43Å; G365-Y367 VanDerWaalsContact C-N 3.31Å; G365-Y367 PolarHBondContact O-N 3.19Å; Y367-Y369 VanDerWaalsContact C-N 3.35Å; Y367-Y369 PolarHBondContact O-N 2.78Å; Y367-R370 PolarHBondContact O-N 2.7Å; Y367-L371 WeakPolarHBondContact O-CB 3.5Å; Y367-L371 PolarHBondContact O-N 2.92Å
368	E	93.1	Very high	93.8	Very high	67 Å²	67	29 Å²	29	31%	0.313	14%	0.14	S	C	.	.	H	α-helix	trans	-62.5	-40	176.2	-60.7	177.4	158.5	0	0	111.9	R88 L89 M345 R361 N366 L371 I372	R88-E368 IonicContact CZ-OE1 2.66Å; R88-E368 IonicContact NH1-OE1 3.41Å; R88-E368 IonicContact NH2-OE1 3.38Å; R88-E368 PolarHBondContact NH2-OE1 3.33Å; L89-E368 HydrophobicContact CD1-CG 3.73Å; L89-E368 HydrophobicContact CD2-CG 4.17Å; M345-E368 HydrophobicContact CE-CB 4.41Å; R361-E368 HydrophobicContact CG-CB 4.43Å; N366-E368 PolarHBondContact O-N 3.36Å; E368-L371 PolarHBondContact O-N 3.49Å; E368-I372 WeakPolarHBondContact O-CG1 3.45Å; E368-I372 PolarHBondContact O-N 2.79Å; E368-I372 VanDerWaalsContact O-N 3.12Å
369	Y	95.7	Very high	94.1	Very high	11 Å²	11	25.8 Å²	25.8	4%	0.043	12%	0.119	C	C	.	.	H	α-helix	trans	-67.5	-44.4	175	-178.7	-99.5	0	0	0	111.3	Y123 V342 M345 D346 N366 Y367 L371 I372 L373	Y123-Y369 AromaticContact CE2-CD1 3.92Å; Y123-Y369 HydrophobicContact CE2-CD1 3.92Å; Y123-Y369 AromaticContact CE2-CE1 3.94Å; Y123-Y369 HydrophobicContact CE2-CE1 3.94Å; V342-Y369 HydrophobicContact CG1-CE2 4.06Å; M345-Y369 HydrophobicContact CB-CD2 3.79Å; M345-Y369 HydrophobicContact CB-CE2 4.16Å; M345-Y369 HydrophobicContact CE-CD2 4.17Å; M345-Y369 HydrophobicContact CE-CG 4.49Å; M345-Y369 HydrophobicContact SD-CD2 4.24Å; D346-Y369 VanDerWaalsContact OD1-CE2 3.23Å; D346-Y369 WeakPolarHBondContact OD1-CE2 3.24Å; D346-Y369 VanDerWaalsContact OD1-CZ 3.23Å; D346-Y369 PolarHBondContact OD1-OH 3.18Å; N366-Y369 WeakPolarHBondContact O-CB 3.34Å; N366-Y369 PolarHBondContact O-N 3.01Å; N366-Y369 VanDerWaalsContact O-N 3.16Å; N366-Y369 WeakPolarHBondContact OD1-CB 3.19Å; Y367-Y369 VanDerWaalsContact C-N 3.35Å; Y367-Y369 PolarHBondContact O-N 2.78Å; Y369-L371 VanDerWaalsContact C-N 3.27Å; Y369-L371 PolarHBondContact O-N 3.24Å; Y369-I372 CarbonylContact O-C 3.4Å; Y369-I372 PolarHBondContact O-N 2.66Å; Y369-I372 VanDerWaalsContact O-N 3.11Å; Y369-L373 HydrophobicContact CD1-CD1 3.64Å; Y369-L373 HydrophobicContact CD1-CG 3.96Å; Y369-L373 HydrophobicContact CE1-CD1 3.4Å; Y369-L373 VanDerWaalsContact CE1-CD1 3.4Å; Y369-L373 HydrophobicContact CE1-CD2 4.09Å; Y369-L373 HydrophobicContact CE1-CG 3.79Å; Y369-L373 WeakPolarHBondContact O-CG 3.21Å; Y369-L373 PolarHBondContact O-N 3.28Å
370	R	95.3	Very high	94.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.1	-35.3	176.6	-68.6	167.5	60.1	177	-2.5	112.7	Y123 G142 E144 L179 G365 N366 Y367 R374	Y123-R370 HydrophobicContact CD1-CG 4.05Å; Y123-R370 HydrophobicContact CD2-CG 3.86Å; Y123-R370 HydrophobicContact CE1-CG 4.39Å; Y123-R370 HydrophobicContact CE2-CG 4.23Å; Y123-R370 HydrophobicContact CG-CG 3.78Å; G142-R370 PolarHBondContact O-NE 3.05Å; G142-R370 PolarHBondContact O-NH2 3.02Å; E144-R370 IonicContact OE2-CZ 3.37Å; E144-R370 IonicContact OE2-NH1 3.2Å; E144-R370 PolarHBondContact OE2-NH1 2.95Å; E144-R370 IonicContact OE2-NH2 3.41Å; E144-R370 PolarHBondContact OE2-NH2 3.37Å; L179-R370 HydrophobicContact CD2-CB 3.86Å; G365-R370 VanDerWaalsContact O-CD 3.26Å; G365-R370 WeakPolarHBondContact O-CD 3.28Å; N366-R370 VanDerWaalsContact O-CG 3.31Å; N366-R370 WeakPolarHBondContact O-CG 3.34Å; N366-R370 PolarHBondContact O-N 2.96Å; Y367-R370 PolarHBondContact O-N 2.7Å; R370-R374 PolarHBondContact O-N 3.09Å; R370-R374 VanDerWaalsContact O-N 3.13Å
371	L	94.1	Very high	94.2	Very high	11 Å²	11	24.6 Å²	24.6	6%	0.058	12%	0.121	C	C	.	.	H	α-helix	trans	-63.9	-51.2	170.6	171.8	59.7	0	0	0	111.3	M91 A181 Q185 Y367 E368 Y369 L373 R374 C375	M91-L371 HydrophobicContact CE-CB 4.11Å; M91-L371 HydrophobicContact SD-CB 4.08Å; M91-L371 HydrophobicContact SD-CD1 4.44Å; A181-L371 HydrophobicContact CB-CD1 3.67Å; Q185-L371 HydrophobicContact CB-CD2 3.88Å; Y367-L371 WeakPolarHBondContact O-CB 3.5Å; Y367-L371 PolarHBondContact O-N 2.92Å; E368-L371 PolarHBondContact O-N 3.49Å; Y369-L371 VanDerWaalsContact C-N 3.27Å; Y369-L371 PolarHBondContact O-N 3.24Å; L371-L373 VanDerWaalsContact C-N 3.29Å; L371-L373 PolarHBondContact O-N 3.49Å; L371-R374 WeakPolarHBondContact O-CB 3.44Å; L371-R374 PolarHBondContact O-N 3.44Å; L371-R374 VanDerWaalsContact O-N 3.11Å; L371-C375 PolarHBondContact O-N 3.17Å; L371-C375 PolarHBondContact O-SG 2.81Å; L371-C375 VanDerWaalsContact O-SG 3.36Å
372	I	95.9	Very high	94.3	Very high	11 Å²	11	30 Å²	30	6%	0.056	15%	0.145	C	C	.	.	H	α-helix	trans	-61.6	-35.9	178.3	-65.6	-63.9	0	0	0	111.8	I191 Y338 K341 V342 M345 E368 Y369 C375 R376	I191-I372 HydrophobicContact CD1-CD1 4.49Å; I191-I372 HydrophobicContact CG1-CD1 4.43Å; Y338-I372 HydrophobicContact CD1-CD1 4.24Å; Y338-I372 HydrophobicContact CD1-CG2 4.33Å; Y338-I372 HydrophobicContact CE1-CD1 4.24Å; K341-I372 HydrophobicContact CB-CG2 4.26Å; K341-I372 HydrophobicContact CG-CD1 4.44Å; K341-I372 HydrophobicContact CG-CG1 4.4Å; K341-I372 HydrophobicContact CG-CG2 4.13Å; V342-I372 HydrophobicContact CG2-CG2 3.69Å; M345-I372 HydrophobicContact SD-CG1 4.41Å; E368-I372 WeakPolarHBondContact O-CG1 3.45Å; E368-I372 PolarHBondContact O-N 2.79Å; E368-I372 VanDerWaalsContact O-N 3.12Å; Y369-I372 CarbonylContact O-C 3.4Å; Y369-I372 PolarHBondContact O-N 2.66Å; Y369-I372 VanDerWaalsContact O-N 3.11Å; I372-C375 PolarHBondContact O-N 3.1Å; I372-R376 WeakPolarHBondContact O-CB 3.41Å; I372-R376 PolarHBondContact O-N 2.84Å
373	L	96.2	Very high	94.1	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-61.6	-43.2	172.2	-73.2	179.1	0	0	0	112.8	Y123 V125 V342 Y369 L371 R376 Q377	Y123-L373 HydrophobicContact CD2-CD1 4.41Å; Y123-L373 HydrophobicContact CE2-CD1 4.41Å; V125-L373 HydrophobicContact CB-CD1 4.43Å; V125-L373 HydrophobicContact CG1-CD1 4.49Å; V125-L373 HydrophobicContact CG1-CD2 4.28Å; V125-L373 HydrophobicContact CG2-CD1 4.39Å; V342-L373 HydrophobicContact CG1-CD2 4.24Å; V342-L373 HydrophobicContact CG2-CD2 4.04Å; Y369-L373 HydrophobicContact CD1-CD1 3.64Å; Y369-L373 HydrophobicContact CD1-CG 3.96Å; Y369-L373 HydrophobicContact CE1-CD1 3.4Å; Y369-L373 VanDerWaalsContact CE1-CD1 3.4Å; Y369-L373 HydrophobicContact CE1-CD2 4.09Å; Y369-L373 HydrophobicContact CE1-CG 3.79Å; Y369-L373 WeakPolarHBondContact O-CG 3.21Å; Y369-L373 PolarHBondContact O-N 3.28Å; L371-L373 VanDerWaalsContact C-N 3.29Å; L371-L373 PolarHBondContact O-N 3.49Å; L373-R376 PolarHBondContact O-N 3.47Å; L373-Q377 PolarHBondContact O-N 2.87Å
374	R	94.6	Very high	94.1	Very high	22 Å²	22	28.5 Å²	28.5	8%	0.083	15%	0.145	C	C	.	.	H	α-helix	trans	-60.6	-50.9	174.6	-178.3	55.8	52.5	86.2	11.9	110.4	S141 D143 L179 R370 L371 R376 Q377 D378	S141-R374 VanDerWaalsContact O-CZ 3.26Å; S141-R374 PolarHBondContact O-NE 3.47Å; S141-R374 PolarHBondContact O-NH2 3.04Å; D143-R374 IonicContact OD1-CZ 3.52Å; D143-R374 IonicContact OD1-NH1 3.48Å; D143-R374 IonicContact OD1-NH2 3.8Å; D143-R374 PolarHBondContact OD1-NH2 3.18Å; D143-R374 IonicContact OD2-NH2 3.78Å; L179-R374 PolarHBondContact O-NH1 3.34Å; R370-R374 PolarHBondContact O-N 3.09Å; R370-R374 VanDerWaalsContact O-N 3.13Å; L371-R374 WeakPolarHBondContact O-CB 3.44Å; L371-R374 PolarHBondContact O-N 3.44Å; L371-R374 VanDerWaalsContact O-N 3.11Å; R374-R376 VanDerWaalsContact C-N 3.29Å; R374-R376 PolarHBondContact O-N 2.98Å; R374-Q377 PolarHBondContact O-N 3.07Å; R374-Q377 VanDerWaalsContact O-N 3.08Å; R374-D378 PolarHBondContact O-N 3.49Å
375	C	95.6	Very high	94.2	Very high	8 Å²	8	35.4 Å²	35.4	5%	0.054	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-34	178.2	-60	0	0	0	0	112.8	Y338 L371 I372 A379	Y338-C375 HydrophobicContact CD1-CB 4.04Å; Y338-C375 HydrophobicContact CD2-CB 4.29Å; Y338-C375 HydrophobicContact CE1-CB 3.61Å; Y338-C375 HydrophobicContact CE2-CB 3.86Å; Y338-C375 HydrophobicContact CG-CB 4.38Å; L371-C375 PolarHBondContact O-N 3.17Å; L371-C375 PolarHBondContact O-SG 2.81Å; L371-C375 VanDerWaalsContact O-SG 3.36Å; I372-C375 PolarHBondContact O-N 3.1Å; C375-A379 WeakPolarHBondContact O-CB 3.43Å; C375-A379 PolarHBondContact O-N 3.11Å
376	R	95.6	Very high	94.3	Very high	39 Å²	39	36.6 Å²	36.6	15%	0.147	18%	0.181	C	C	.	.	H	α-helix	trans	-62.8	-45.3	171.2	-178.4	178	172.3	-110.7	0.8	111.6	Y335 C339 I372 L373 R374 A379 R380	Y335-R376 HydrophobicContact CD2-CG 4.31Å; Y335-R376 HydrophobicContact CE2-CG 3.86Å; C339-R376 PolarHBondContact SG-NE 2.82Å; I372-R376 WeakPolarHBondContact O-CB 3.41Å; I372-R376 PolarHBondContact O-N 2.84Å; L373-R376 PolarHBondContact O-N 3.47Å; R374-R376 VanDerWaalsContact C-N 3.29Å; R374-R376 PolarHBondContact O-N 2.98Å; R376-A379 PolarHBondContact O-N 3.19Å; R376-R380 WeakPolarHBondContact O-CB 3.41Å; R376-R380 PolarHBondContact O-N 2.9Å
377	Q	95.2	Very high	94	Very high	44 Å²	44	40.6 Å²	40.6	21%	0.206	20%	0.196	C	C	.	.	H	α-helix	trans	-65.7	-45.4	178.3	179.8	173.8	-4.1	0	0	111.9	S141 L373 R374 A379 R380 S381	S141-Q377 VanDerWaalsContact CB-OE1 3.31Å; S141-Q377 PolarHBondContact OG-OE1 3.4Å; L373-Q377 PolarHBondContact O-N 2.87Å; R374-Q377 PolarHBondContact O-N 3.07Å; R374-Q377 VanDerWaalsContact O-N 3.08Å; Q377-A379 VanDerWaalsContact C-N 3.3Å; Q377-A379 PolarHBondContact O-N 3.47Å; Q377-R380 PolarHBondContact O-N 3.1Å; Q377-S381 WeakPolarHBondContact O-CB 3.38Å; Q377-S381 PolarHBondContact O-N 3.15Å; Q377-S381 PolarHBondContact O-OG 3.03Å
378	D	94.4	Very high	93.9	Very high	65 Å²	65	43.6 Å²	43.6	35%	0.348	22%	0.215	S	C	.	.	H	α-helix	trans	-65.6	-37.2	179.4	-62.1	-28.2	0	0	0	110.7	R374 K382	R374-D378 PolarHBondContact O-N 3.49Å; D378-K382 WeakPolarHBondContact O-CB 3.39Å; D378-K382 PolarHBondContact O-N 2.97Å
379	A	94.6	Very high	93.8	Very high	11 Å²	11	43.9 Å²	43.9	9%	0.091	22%	0.219	C	C	.	.	H	α-helix	trans	-66.5	-42.9	171.7	0	0	0	0	0	113	Y335 Y338 C375 R376 Q377 S381 K382 F383	Y335-A379 HydrophobicContact CD2-CB 4.25Å; Y338-A379 HydrophobicContact CD2-CB 3.78Å; Y338-A379 HydrophobicContact CE2-CB 4.14Å; C375-A379 WeakPolarHBondContact O-CB 3.43Å; C375-A379 PolarHBondContact O-N 3.11Å; R376-A379 PolarHBondContact O-N 3.19Å; Q377-A379 VanDerWaalsContact C-N 3.3Å; Q377-A379 PolarHBondContact O-N 3.47Å; A379-S381 VanDerWaalsContact C-N 3.33Å; A379-S381 PolarHBondContact O-N 3.15Å; A379-K382 PolarHBondContact O-N 3.38Å; A379-F383 WeakPolarHBondContact O-CB 3.36Å; A379-F383 PolarHBondContact O-N 2.96Å
380	R	93.9	Very high	93.6	Very high	51 Å²	51	43.4 Å²	43.4	19%	0.192	22%	0.217	C	C	.	.	H	α-helix	trans	-56.4	-48.5	173.7	-174.4	174.8	168.3	119.3	-14.1	110.2	D14 D129 Y335 R376 Q377 K382 F383 A384	D14-R380 IonicContact OD2-NH1 3.82Å; D129-R380 IonicContact OD2-CZ 3.55Å; D129-R380 IonicContact OD2-NE 2.79Å; D129-R380 PolarHBondContact OD2-NE 2.97Å; D129-R380 IonicContact OD2-NH2 2.91Å; D129-R380 PolarHBondContact OD2-NH2 3.27Å; Y335-R380 HydrophobicContact CD2-CB 3.91Å; Y335-R380 HydrophobicContact CE2-CB 3.53Å; Y335-R380 HydrophobicContact CE2-CG 4.05Å; Y335-R380 PolarHBondContact OH-NH1 3.38Å; R376-R380 WeakPolarHBondContact O-CB 3.41Å; R376-R380 PolarHBondContact O-N 2.9Å; Q377-R380 PolarHBondContact O-N 3.1Å; R380-K382 PolarHBondContact O-N 3.29Å; R380-F383 PolarHBondContact O-N 3.24Å; R380-A384 WeakPolarHBondContact O-CB 3.45Å; R380-A384 PolarHBondContact O-N 3.49Å
381	S	94.1	Very high	93.3	Very high	54 Å²	54	45.8 Å²	45.8	38%	0.378	23%	0.229	S	C	.	.	H	α-helix	trans	-64.2	-38.1	-178.9	-54.9	0	0	0	0	112.7	Q377 A379 K385	Q377-S381 WeakPolarHBondContact O-CB 3.38Å; Q377-S381 PolarHBondContact O-N 3.15Å; Q377-S381 PolarHBondContact O-OG 3.03Å; A379-S381 VanDerWaalsContact C-N 3.33Å; A379-S381 PolarHBondContact O-N 3.15Å; S381-K385 WeakPolarHBondContact O-CG 3.5Å; S381-K385 PolarHBondContact O-N 2.88Å
382	K	94.6	Very high	93.2	Very high	136 Å²	136	50.6 Å²	50.6	59%	0.591	25%	0.251	S	S	*	.	H	α-helix	trans	-72.2	-41.8	175.4	-176.6	177.2	178.9	-179.9	0	112.4	D378 A379 R380 L386	D378-K382 WeakPolarHBondContact O-CB 3.39Å; D378-K382 PolarHBondContact O-N 2.97Å; A379-K382 PolarHBondContact O-N 3.38Å; R380-K382 PolarHBondContact O-N 3.29Å; K382-L386 HydrophobicContact CG-CD1 4.06Å; K382-L386 WeakPolarHBondContact O-CB 3.38Å; K382-L386 WeakPolarHBondContact O-CG 3.35Å; K382-L386 PolarHBondContact O-N 3.2Å; K382-L386 VanDerWaalsContact O-N 3.13Å
383	F	91	Very high	92.9	Very high	13 Å²	13	53.3 Å²	53.3	6%	0.057	26%	0.263	C	S	.	.	H	α-helix	trans	-62.5	-46.2	176	158.6	-101.9	0	0	0	111.7	Y328 K332 Y335 A379 R380 L386 R387	Y328-F383 HydrophobicContact CD2-CD2 4.28Å; Y328-F383 HydrophobicContact CD2-CE2 4.38Å; Y328-F383 AromaticContact CE2-CD2 3.67Å; Y328-F383 HydrophobicContact CE2-CD2 3.67Å; Y328-F383 AromaticContact CE2-CE2 3.38Å; Y328-F383 HydrophobicContact CE2-CE2 3.38Å; Y328-F383 HydrophobicContact CE2-CZ 4.26Å; Y328-F383 AromaticContact CZ-CE2 3.65Å; Y328-F383 WeakPolarHBondContact OH-CE2 3.31Å; K332-F383 HydrophobicContact CB-CD2 3.81Å; K332-F383 HydrophobicContact CB-CE2 3.79Å; K332-F383 HydrophobicContact CG-CD2 4.37Å; K332-F383 HydrophobicContact CG-CE2 3.88Å; Y335-F383 HydrophobicContact CD1-CD1 4.05Å; Y335-F383 HydrophobicContact CD1-CE1 4.35Å; Y335-F383 HydrophobicContact CD1-CG 4.38Å; Y335-F383 HydrophobicContact CE1-CD1 4.45Å; A379-F383 WeakPolarHBondContact O-CB 3.36Å; A379-F383 PolarHBondContact O-N 2.96Å; R380-F383 PolarHBondContact O-N 3.24Å; F383-L386 PolarHBondContact O-N 3.45Å; F383-R387 PolarHBondContact O-N 2.92Å
384	A	91.5	Very high	92.6	Very high	45 Å²	45	53.4 Å²	53.4	37%	0.372	26%	0.263	S	S	.	.	H	α-helix	trans	-60.8	-48.1	179.7	0	0	0	0	0	111.8	R380 L386 R387 T388	R380-A384 WeakPolarHBondContact O-CB 3.45Å; R380-A384 PolarHBondContact O-N 3.49Å; A384-L386 PolarHBondContact O-N 2.74Å; A384-R387 VanDerWaalsContact O-CB 3.29Å; A384-R387 WeakPolarHBondContact O-CB 3.38Å; A384-R387 PolarHBondContact O-N 3.47Å; A384-R387 VanDerWaalsContact O-N 3.08Å; A384-T388 PolarHBondContact O-N 3.47Å; A384-T388 PolarHBondContact O-OG1 2.87Å
385	K	93.1	Very high	92.3	Very high	147 Å²	147	58 Å²	58	64%	0.639	29%	0.285	S	S	*	.	H	α-helix	trans	-58.1	-48	175.3	-70.8	174.9	-178.6	-176.6	0	111.9	S381 R387 T388 D389	S381-K385 WeakPolarHBondContact O-CG 3.5Å; S381-K385 PolarHBondContact O-N 2.88Å; K385-R387 PolarHBondContact O-N 3.29Å; K385-T388 WeakPolarHBondContact O-CB 3.17Å; K385-T388 PolarHBondContact O-N 3.09Å; K385-T388 VanDerWaalsContact O-N 3.14Å; K385-D389 VanDerWaalsContact O-CG 3.29Å; K385-D389 PolarHBondContact O-N 3.09Å
386	L	93.2	Very high	92.1	Very high	25 Å²	25	63.4 Å²	63.4	13%	0.131	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-21.2	177	-74.4	166.3	0	0	0	113.7	R327 Y328 A331 K382 F383 A384 V390	R327-L386 HydrophobicContact CB-CD2 4.39Å; Y328-L386 HydrophobicContact CD2-CB 4.24Å; A331-L386 HydrophobicContact CB-CD1 3.6Å; K382-L386 HydrophobicContact CG-CD1 4.06Å; K382-L386 WeakPolarHBondContact O-CB 3.38Å; K382-L386 WeakPolarHBondContact O-CG 3.35Å; K382-L386 PolarHBondContact O-N 3.2Å; K382-L386 VanDerWaalsContact O-N 3.13Å; F383-L386 PolarHBondContact O-N 3.45Å; A384-L386 PolarHBondContact O-N 2.74Å; L386-V390 WeakPolarHBondContact O-CB 3.35Å; L386-V390 VanDerWaalsContact O-CG2 3.28Å; L386-V390 WeakPolarHBondContact O-CG2 3.48Å; L386-V390 PolarHBondContact O-N 3.36Å
387	R	90.3	Very high	91.8	Very high	84 Å²	84	62.2 Å²	62.2	32%	0.317	31%	0.31	S	S	.	.	H	α-helix	trans	-69.6	-46.7	171.5	-167.3	-175.4	178.4	-164.2	-3.3	110.1	L224 Y328 F383 A384 K385 V390 L391	L224-R387 HydrophobicContact CD1-CG 4.48Å; Y328-R387 HydrophobicContact CD2-CB 4.19Å; Y328-R387 HydrophobicContact CE2-CB 3.75Å; Y328-R387 HydrophobicContact CE2-CG 4Å; F383-R387 PolarHBondContact O-N 2.92Å; A384-R387 VanDerWaalsContact O-CB 3.29Å; A384-R387 WeakPolarHBondContact O-CB 3.38Å; A384-R387 PolarHBondContact O-N 3.47Å; A384-R387 VanDerWaalsContact O-N 3.08Å; K385-R387 PolarHBondContact O-N 3.29Å; R387-V390 PolarHBondContact O-N 2.88Å; R387-L391 HydrophobicContact CG-CD1 4.21Å; R387-L391 WeakPolarHBondContact O-CG 3.31Å; R387-L391 PolarHBondContact O-N 3.3Å
388	T	90.5	Very high	91.3	Very high	70 Å²	70	64.5 Å²	64.5	43%	0.429	32%	0.321	S	S	.	.	H	α-helix	trans	-61.9	-50.7	174.1	-53.4	0	0	0	0	111.1	A384 K385 V390 L391 E392	A384-T388 PolarHBondContact O-N 3.47Å; A384-T388 PolarHBondContact O-OG1 2.87Å; K385-T388 WeakPolarHBondContact O-CB 3.17Å; K385-T388 PolarHBondContact O-N 3.09Å; K385-T388 VanDerWaalsContact O-N 3.14Å; T388-V390 PolarHBondContact O-N 3.02Å; T388-V390 VanDerWaalsContact O-N 3.11Å; T388-L391 PolarHBondContact O-N 3.38Å; T388-L391 VanDerWaalsContact O-N 3.09Å; T388-E392 HydrophobicContact CG2-CG 4.27Å; T388-E392 WeakPolarHBondContact CG2-OE1 3.41Å; T388-E392 PolarHBondContact O-N 3.4Å
389	D	91.4	Very high	91	Very high	73 Å²	73	64.7 Å²	64.7	39%	0.39	33%	0.326	S	S	.	.	H	α-helix	trans	-52.6	-36.7	177	-64.8	-9.2	0	0	0	112.5	T324 K385 K393	T324-D389 HydrophobicContact CG2-CB 4.47Å; K385-D389 VanDerWaalsContact O-CG 3.29Å; K385-D389 PolarHBondContact O-N 3.09Å; D389-K393 WeakPolarHBondContact O-CB 3.25Å; D389-K393 WeakPolarHBondContact O-CG 3.42Å; D389-K393 PolarHBondContact O-N 3.05Å
390	V	91	Very high	90.5	Very high	1 Å²	1	68.1 Å²	68.1	1%	0.006	34%	0.339	C	S	.	.	H	α-helix	trans	-74.7	-49.3	177.1	163.9	0	0	0	0	111.5	L224 T324 V325 Y328 L386 R387 T388 E392 K393 M394	L224-V390 HydrophobicContact CD1-CG1 3.94Å; L224-V390 HydrophobicContact CD2-CG1 3.62Å; L224-V390 HydrophobicContact CG-CG1 4.37Å; T324-V390 HydrophobicContact CG2-CG2 3.9Å; V325-V390 HydrophobicContact CB-CG2 4.5Å; V325-V390 HydrophobicContact CG2-CG1 3.84Å; V325-V390 HydrophobicContact CG2-CG2 4.12Å; Y328-V390 HydrophobicContact CG-CG2 4.24Å; L386-V390 WeakPolarHBondContact O-CB 3.35Å; L386-V390 VanDerWaalsContact O-CG2 3.28Å; L386-V390 WeakPolarHBondContact O-CG2 3.48Å; L386-V390 PolarHBondContact O-N 3.36Å; R387-V390 PolarHBondContact O-N 2.88Å; T388-V390 PolarHBondContact O-N 3.02Å; T388-V390 VanDerWaalsContact O-N 3.11Å; V390-E392 PolarHBondContact O-N 3.29Å; V390-K393 PolarHBondContact O-N 3.45Å; V390-M394 HydrophobicContact CG1-CG 4.25Å; V390-M394 HydrophobicContact CG1-SD 3.82Å; V390-M394 VanDerWaalsContact O-CG 3.31Å; V390-M394 WeakPolarHBondContact O-CG 3.29Å; V390-M394 PolarHBondContact O-N 2.92Å
391	L	88.8	Confident	90	Very high	50 Å²	50	67.8 Å²	67.8	26%	0.262	34%	0.34	S	S	.	.	H	α-helix	trans	-58.4	-47.9	-178.5	-73.2	166.1	0	0	0	111.2	L224 R387 T388 K393 M394 E395	L224-L391 HydrophobicContact CD2-CD2 3.63Å; L224-L391 HydrophobicContact CD2-CG 4.16Å; R387-L391 HydrophobicContact CG-CD1 4.21Å; R387-L391 WeakPolarHBondContact O-CG 3.31Å; R387-L391 PolarHBondContact O-N 3.3Å; T388-L391 PolarHBondContact O-N 3.38Å; T388-L391 VanDerWaalsContact O-N 3.09Å; L391-K393 PolarHBondContact O-N 3.27Å; L391-M394 PolarHBondContact O-N 2.96Å; L391-E395 PolarHBondContact O-N 2.98Å
392	E	91.4	Very high	89.4	Confident	111 Å²	111	68.3 Å²	68.3	52%	0.519	35%	0.347	S	S	.	.	H	α-helix	trans	-60.1	-45.1	175.8	-69.1	179.9	-173.1	0	0	111.8	T388 V390 M394 E395 L396	T388-E392 HydrophobicContact CG2-CG 4.27Å; T388-E392 WeakPolarHBondContact CG2-OE1 3.41Å; T388-E392 PolarHBondContact O-N 3.4Å; V390-E392 PolarHBondContact O-N 3.29Å; E392-M394 PolarHBondContact O-N 3.23Å; E392-E395 PolarHBondContact O-N 3.48Å; E392-L396 WeakPolarHBondContact O-CB 3.43Å; E392-L396 WeakPolarHBondContact O-CG 3.17Å; E392-L396 PolarHBondContact O-N 2.91Å
393	K	90.8	Very high	89	Confident	69 Å²	69	68.6 Å²	68.6	30%	0.3	35%	0.352	S	S	.	.	H	α-helix	trans	-66.1	-34.8	178.6	-84.2	-161.3	-174.9	-173.4	0	113.7	D320 T324 D389 V390 L391 L397	D320-K393 IonicContact OD1-NZ 3.8Å; D320-K393 IonicContact OD2-NZ 3.18Å; D320-K393 PolarHBondContact OD2-NZ 3.17Å; T324-K393 HydrophobicContact CG2-CD 4.04Å; T324-K393 PolarHBondContact OG1-NZ 3.39Å; D389-K393 WeakPolarHBondContact O-CB 3.25Å; D389-K393 WeakPolarHBondContact O-CG 3.42Å; D389-K393 PolarHBondContact O-N 3.05Å; V390-K393 PolarHBondContact O-N 3.45Å; L391-K393 PolarHBondContact O-N 3.27Å; K393-L397 VanDerWaalsContact O-CB 3.29Å; K393-L397 WeakPolarHBondContact O-CB 3.37Å; K393-L397 PolarHBondContact O-N 3.37Å
394	M	89.1	Confident	88.7	Confident	4 Å²	4	69.3 Å²	69.3	2%	0.02	36%	0.357	C	S	.	.	H	α-helix	trans	-70.1	-46.1	177.6	-67	-172.9	87.9	0	0	110.3	L224 R227 L231 T321 V325 V390 L391 E392 L396 L397 E398	L224-M394 HydrophobicContact CD2-SD 4.12Å; R227-M394 HydrophobicContact CB-CE 3.52Å; R227-M394 HydrophobicContact CB-SD 4.07Å; R227-M394 VanDerWaalsContact O-CE 3.28Å; R227-M394 WeakPolarHBondContact O-CE 3.42Å; L231-M394 HydrophobicContact CB-CE 4.24Å; L231-M394 HydrophobicContact CD2-CE 4.11Å; T321-M394 HydrophobicContact CG2-CG 3.96Å; V325-M394 HydrophobicContact CG2-SD 4.4Å; V390-M394 HydrophobicContact CG1-CG 4.25Å; V390-M394 HydrophobicContact CG1-SD 3.82Å; V390-M394 VanDerWaalsContact O-CG 3.31Å; V390-M394 WeakPolarHBondContact O-CG 3.29Å; V390-M394 PolarHBondContact O-N 2.92Å; L391-M394 PolarHBondContact O-N 2.96Å; E392-M394 PolarHBondContact O-N 3.23Å; M394-L396 PolarHBondContact O-N 3.01Å; M394-L397 WeakPolarHBondContact O-CB 3.09Å; M394-L397 PolarHBondContact O-N 3.31Å; M394-L397 VanDerWaalsContact O-N 3.07Å; M394-E398 WeakPolarHBondContact O-CB 3.14Å; M394-E398 VanDerWaalsContact O-CG 3.24Å; M394-E398 WeakPolarHBondContact O-CG 3.26Å; M394-E398 PolarHBondContact O-N 2.88Å
395	E	89.1	Confident	88.4	Confident	117 Å²	117	68.5 Å²	68.5	55%	0.547	35%	0.346	S	S	.	.	H	α-helix	trans	-60.3	-42.4	175	-175	176.8	172.7	0	0	112.6	L391 E392 L397 E398 C399	L391-E395 PolarHBondContact O-N 2.98Å; E392-E395 PolarHBondContact O-N 3.48Å; E395-L397 VanDerWaalsContact C-N 3.31Å; E395-L397 PolarHBondContact O-N 2.96Å; E395-E398 PolarHBondContact O-N 3.03Å; E395-C399 WeakPolarHBondContact O-CB 3.43Å; E395-C399 PolarHBondContact O-N 3.24Å; E395-C399 PolarHBondContact O-SG 2.88Å
396	L	89.8	Confident	88	Confident	122 Å²	122	65.6 Å²	65.6	64%	0.639	34%	0.338	S	S	*	.	H	α-helix	trans	-63.6	-35.2	174	-73.6	170.3	0	0	0	112.6	E392 M394 K400	E392-L396 WeakPolarHBondContact O-CB 3.43Å; E392-L396 WeakPolarHBondContact O-CG 3.17Å; E392-L396 PolarHBondContact O-N 2.91Å; M394-L396 PolarHBondContact O-N 3.01Å; L396-K400 VanDerWaalsContact O-CB 3.23Å; L396-K400 WeakPolarHBondContact O-CB 3.46Å; L396-K400 PolarHBondContact O-N 3Å
397	L	89.9	Confident	87.8	Confident	14 Å²	14	70.8 Å²	70.8	7%	0.073	36%	0.359	C	S	.	.	H	α-helix	trans	-72.1	-42.4	176.5	-171.8	74	0	0	0	111.5	L231 Y313 A317 I318 T321 K393 M394 E395 K400 H401	L231-L397 HydrophobicContact CD1-CD2 3.49Å; L231-L397 VanDerWaalsContact CD1-CD2 3.49Å; Y313-L397 HydrophobicContact CD2-CD1 4.18Å; Y313-L397 HydrophobicContact CE2-CD1 3.44Å; Y313-L397 VanDerWaalsContact CE2-CD1 3.44Å; Y313-L397 HydrophobicContact CE2-CG 3.94Å; A317-L397 HydrophobicContact CB-CD1 3.64Å; I318-L397 HydrophobicContact CG1-CD2 4.38Å; T321-L397 HydrophobicContact CG2-CD2 4.1Å; K393-L397 VanDerWaalsContact O-CB 3.29Å; K393-L397 WeakPolarHBondContact O-CB 3.37Å; K393-L397 PolarHBondContact O-N 3.37Å; M394-L397 WeakPolarHBondContact O-CB 3.09Å; M394-L397 PolarHBondContact O-N 3.31Å; M394-L397 VanDerWaalsContact O-N 3.07Å; E395-L397 VanDerWaalsContact C-N 3.31Å; E395-L397 PolarHBondContact O-N 2.96Å; L397-K400 PolarHBondContact O-N 3.14Å; L397-H401 VanDerWaalsContact O-CB 3.24Å; L397-H401 WeakPolarHBondContact O-CB 3.2Å; L397-H401 PolarHBondContact O-N 2.76Å
398	E	85.6	Confident	87.6	Confident	92 Å²	92	67.1 Å²	67.1	43%	0.43	35%	0.346	S	S	.	.	H	α-helix	trans	-62.1	-46.5	175.7	-69.8	160.7	-140.4	0	0	111.2	R227 M394 E395 H401 A402	R227-E398 IonicContact NH1-OE1 3.64Å; M394-E398 WeakPolarHBondContact O-CB 3.14Å; M394-E398 VanDerWaalsContact O-CG 3.24Å; M394-E398 WeakPolarHBondContact O-CG 3.26Å; M394-E398 PolarHBondContact O-N 2.88Å; E395-E398 PolarHBondContact O-N 3.03Å; E398-H401 WeakPolarHBondContact O-CB 3.43Å; E398-H401 PolarHBondContact O-N 3.11Å; E398-A402 PolarHBondContact O-N 2.84Å; E398-A402 VanDerWaalsContact O-N 3.11Å
399	C	86.7	Confident	87.4	Confident	69 Å²	69	67.2 Å²	67.2	47%	0.466	34%	0.343	S	S	.	.	H	α-helix	trans	-62.4	-44.7	174.6	-69	0	0	0	0	111.8	E395 A402 M403	E395-C399 WeakPolarHBondContact O-CB 3.43Å; E395-C399 PolarHBondContact O-N 3.24Å; E395-C399 PolarHBondContact O-SG 2.88Å; C399-A402 PolarHBondContact O-N 3.17Å; C399-M403 WeakPolarHBondContact O-CG 3.41Å; C399-M403 PolarHBondContact O-N 3.16Å
400	K	84.8	Confident	87.2	Confident	83 Å²	83	70.3 Å²	70.3	36%	0.361	35%	0.349	S	S	.	.	H	α-helix	trans	-61.7	-45.7	176.5	-177.4	174.4	-178.8	179.2	0	111.4	L396 L397 A402 M403 D404	L396-K400 VanDerWaalsContact O-CB 3.23Å; L396-K400 WeakPolarHBondContact O-CB 3.46Å; L396-K400 PolarHBondContact O-N 3Å; L397-K400 PolarHBondContact O-N 3.14Å; K400-A402 PolarHBondContact O-N 3.43Å; K400-M403 PolarHBondContact O-N 2.63Å; K400-D404 WeakPolarHBondContact CE-OD2 3.34Å; K400-D404 VanDerWaalsContact CG-OD2 3.23Å; K400-D404 WeakPolarHBondContact CG-OD2 3.2Å; K400-D404 IonicContact NZ-OD2 2.58Å; K400-D404 WeakPolarHBondContact O-CB 3.46Å; K400-D404 PolarHBondContact O-N 3.13Å
401	H	82.8	Confident	87.1	Confident	45 Å²	45	72.4 Å²	72.4	21%	0.208	36%	0.364	C	S	.	.	H	α-helix	trans	-53.1	-52.8	177.3	162.6	43.5	0	0	0	111.9	Y238 Y313 L397 E398 M403 L405	Y238-H401 AromaticContact CE2-CE1 3.73Å; Y238-H401 AromaticContact CE2-ND1 3.41Å; Y238-H401 WeakPolarHBondContact CE2-ND1 3.3Å; Y238-H401 AromaticContact CZ-ND1 3.62Å; Y238-H401 PolarHBondContact OH-ND1 3.14Å; Y313-H401 HydrophobicContact CE2-CB 3.98Å; L397-H401 VanDerWaalsContact O-CB 3.24Å; L397-H401 WeakPolarHBondContact O-CB 3.2Å; L397-H401 PolarHBondContact O-N 2.76Å; E398-H401 WeakPolarHBondContact O-CB 3.43Å; E398-H401 PolarHBondContact O-N 3.11Å; H401-M403 PolarHBondContact O-N 3.05Å; H401-L405 WeakPolarHBondContact O-CB 3.28Å; H401-L405 PolarHBondContact O-N 3.36Å
402	A	82.8	Confident	86.9	Confident	65 Å²	65	71.4 Å²	71.4	54%	0.537	36%	0.359	S	S	.	.	H	α-helix	trans	-62.3	-41.8	-177.8	0	0	0	0	0	112.7	E398 C399 K400 N406	E398-A402 PolarHBondContact O-N 2.84Å; E398-A402 VanDerWaalsContact O-N 3.11Å; C399-A402 PolarHBondContact O-N 3.17Å; K400-A402 PolarHBondContact O-N 3.43Å; A402-N406 WeakPolarHBondContact O-CB 3.42Å; A402-N406 PolarHBondContact O-N 2.86Å
403	M	84.7	Confident	86.6	Confident	141 Å²	141	71.6 Å²	71.6	70%	0.695	36%	0.363	S	S	*	.	H	α-helix	trans	-71.5	-50.4	179.6	-68.1	-177.3	68.6	0	0	112.4	C399 K400 H401 K407	C399-M403 WeakPolarHBondContact O-CG 3.41Å; C399-M403 PolarHBondContact O-N 3.16Å; K400-M403 PolarHBondContact O-N 2.63Å; H401-M403 PolarHBondContact O-N 3.05Å; M403-K407 WeakPolarHBondContact O-CB 3.44Å; M403-K407 PolarHBondContact O-N 2.81Å
404	D	85.3	Confident	86.6	Confident	28 Å²	28	73.8 Å²	73.8	15%	0.15	37%	0.374	C	S	.	.	H	α-helix	trans	-71.2	-41.1	-174.4	-76.4	-13.9	0	0	0	111.6	K400 N406 K407 Q408	K400-D404 WeakPolarHBondContact CE-OD2 3.34Å; K400-D404 VanDerWaalsContact CG-OD2 3.23Å; K400-D404 WeakPolarHBondContact CG-OD2 3.2Å; K400-D404 IonicContact NZ-OD2 2.58Å; K400-D404 WeakPolarHBondContact O-CB 3.46Å; K400-D404 PolarHBondContact O-N 3.13Å; D404-N406 VanDerWaalsContact C-N 3.34Å; D404-N406 PolarHBondContact O-N 2.66Å; D404-K407 PolarHBondContact O-N 3.24Å; D404-Q408 VanDerWaalsContact O-CB 3.24Å; D404-Q408 WeakPolarHBondContact O-CB 3.38Å; D404-Q408 WeakPolarHBondContact O-CG 3.45Å; D404-Q408 PolarHBondContact O-N 2.78Å; D404-Q408 PolarHBondContact O-OE1 3.08Å
405	L	84.5	Confident	86.5	Confident	29 Å²	29	74 Å²	74	15%	0.152	38%	0.376	C	S	.	.	H	α-helix	trans	-61.6	-42.9	177.3	-177	61.5	0	0	0	111.6	M237 L241 L310 H401 K407 Q408 L409	M237-L405 HydrophobicContact CE-CD2 4.46Å; L241-L405 HydrophobicContact CD2-CD1 3.77Å; L310-L405 HydrophobicContact CD2-CD1 4.3Å; H401-L405 WeakPolarHBondContact O-CB 3.28Å; H401-L405 PolarHBondContact O-N 3.36Å; L405-K407 VanDerWaalsContact C-N 3.34Å; L405-K407 PolarHBondContact O-N 3.27Å; L405-Q408 PolarHBondContact O-N 3.01Å; L405-L409 HydrophobicContact CD1-CD1 3.87Å; L405-L409 HydrophobicContact CD1-CD2 4.46Å; L405-L409 HydrophobicContact CD1-CG 3.9Å; L405-L409 HydrophobicContact CD2-CD1 4.49Å; L405-L409 HydrophobicContact CG-CD1 3.86Å; L405-L409 HydrophobicContact CG-CG 4.28Å; L405-L409 WeakPolarHBondContact O-CB 3.26Å; L405-L409 WeakPolarHBondContact O-CG 3.42Å; L405-L409 PolarHBondContact O-N 3.41Å
406	N	86.7	Confident	86.2	Confident	86 Å²	86	70.6 Å²	70.6	46%	0.46	36%	0.361	S	S	.	.	H	α-helix	trans	-62.7	-43.2	179.1	-160	-95.1	0	0	0	111.3	A402 D404 R410	A402-N406 WeakPolarHBondContact O-CB 3.42Å; A402-N406 PolarHBondContact O-N 2.86Å; D404-N406 VanDerWaalsContact C-N 3.34Å; D404-N406 PolarHBondContact O-N 2.66Å; N406-R410 WeakPolarHBondContact O-CB 3.38Å; N406-R410 VanDerWaalsContact O-CG 3.23Å; N406-R410 WeakPolarHBondContact O-CG 3.33Å; N406-R410 PolarHBondContact O-N 3Å; N406-R410 PolarHBondContact OD1-NE 2.8Å
407	K	88.5	Confident	86.2	Confident	134 Å²	134	66.8 Å²	66.8	58%	0.583	35%	0.348	S	S	*	.	H	α-helix	trans	-65.3	-42.3	176	179	-171.6	170.8	-159.5	0	112.5	M403 D404 L405 S411	M403-K407 WeakPolarHBondContact O-CB 3.44Å; M403-K407 PolarHBondContact O-N 2.81Å; D404-K407 PolarHBondContact O-N 3.24Å; L405-K407 VanDerWaalsContact C-N 3.34Å; L405-K407 PolarHBondContact O-N 3.27Å; K407-S411 WeakPolarHBondContact O-CB 3.42Å; K407-S411 PolarHBondContact O-N 2.93Å
408	Q	86.6	Confident	86.1	Confident	7 Å²	7	71.2 Å²	71.2	3%	0.033	37%	0.368	C	S	.	.	H	α-helix	trans	-66.4	-47.4	-179.7	-74.3	158.1	-0	0	0	111.2	V306 D309 L310 D404 L405 S411 L412	V306-Q408 HydrophobicContact CG1-CB 3.65Å; V306-Q408 HydrophobicContact CG1-CG 4.01Å; V306-Q408 WeakPolarHBondContact CG1-O 3.42Å; D309-Q408 PolarHBondContact OD2-NE2 3.49Å; L310-Q408 HydrophobicContact CG-CB 4.44Å; L310-Q408 HydrophobicContact CG-CG 4.39Å; D404-Q408 VanDerWaalsContact O-CB 3.24Å; D404-Q408 WeakPolarHBondContact O-CB 3.38Å; D404-Q408 WeakPolarHBondContact O-CG 3.45Å; D404-Q408 PolarHBondContact O-N 2.78Å; D404-Q408 PolarHBondContact O-OE1 3.08Å; L405-Q408 PolarHBondContact O-N 3.01Å; Q408-S411 PolarHBondContact O-N 3.31Å; Q408-L412 PolarHBondContact O-N 2.9Å
409	L	84.9	Confident	86	Confident	71 Å²	71	67 Å²	67	37%	0.372	35%	0.348	S	S	.	.	H	α-helix	trans	-64.5	-39.9	176.4	-68.1	175.1	0	0	0	112.1	L405 L412 L413	L405-L409 HydrophobicContact CD1-CD1 3.87Å; L405-L409 HydrophobicContact CD1-CD2 4.46Å; L405-L409 HydrophobicContact CD1-CG 3.9Å; L405-L409 HydrophobicContact CD2-CD1 4.49Å; L405-L409 HydrophobicContact CG-CD1 3.86Å; L405-L409 HydrophobicContact CG-CG 4.28Å; L405-L409 WeakPolarHBondContact O-CB 3.26Å; L405-L409 WeakPolarHBondContact O-CG 3.42Å; L405-L409 PolarHBondContact O-N 3.41Å; L409-L412 PolarHBondContact O-N 3.27Å; L409-L413 WeakPolarHBondContact O-CB 3.46Å; L409-L413 VanDerWaalsContact O-CG 3.32Å; L409-L413 WeakPolarHBondContact O-CG 3.38Å; L409-L413 PolarHBondContact O-N 2.9Å
410	R	88.4	Confident	86	Confident	138 Å²	138	69.2 Å²	69.2	52%	0.521	35%	0.351	S	S	.	.	H	α-helix	trans	-59.8	-51.6	172	-78.2	176.2	-172	-73.9	-3.3	112	N406 L412 L413 E414	N406-R410 WeakPolarHBondContact O-CB 3.38Å; N406-R410 VanDerWaalsContact O-CG 3.23Å; N406-R410 WeakPolarHBondContact O-CG 3.33Å; N406-R410 PolarHBondContact O-N 3Å; N406-R410 PolarHBondContact OD1-NE 2.8Å; R410-L412 PolarHBondContact O-N 3.36Å; R410-L413 PolarHBondContact O-N 3.27Å; R410-L413 VanDerWaalsContact O-N 3.15Å; R410-E414 VanDerWaalsContact O-CB 3.28Å; R410-E414 WeakPolarHBondContact O-CB 3.37Å; R410-E414 VanDerWaalsContact O-CG 3.26Å; R410-E414 WeakPolarHBondContact O-CG 3.43Å; R410-E414 PolarHBondContact O-N 3.35Å
411	S	88.1	Confident	86.2	Confident	45 Å²	45	72 Å²	72	32%	0.315	36%	0.359	S	S	.	.	H	α-helix	trans	-59.2	-34.7	179.7	-171.9	0	0	0	0	112.9	K407 Q408 S415	K407-S411 WeakPolarHBondContact O-CB 3.42Å; K407-S411 PolarHBondContact O-N 2.93Å; Q408-S411 PolarHBondContact O-N 3.31Å; S411-S415 WeakPolarHBondContact O-CB 3.35Å; S411-S415 PolarHBondContact O-N 3.3Å; S411-S415 PolarHBondContact O-OG 3.17Å
412	L	83.6	Confident	86.4	Confident	29 Å²	29	72 Å²	72	15%	0.152	37%	0.365	C	S	.	.	H	α-helix	trans	-67.2	-51.9	174	174.6	60.1	0	0	0	111.5	M248 I303 Q408 L409 R410 S415 L416	M248-L412 HydrophobicContact CE-CD1 4.12Å; M248-L412 HydrophobicContact CE-CD2 4.41Å; I303-L412 HydrophobicContact CD1-CD1 3.57Å; I303-L412 HydrophobicContact CG1-CD1 3.82Å; I303-L412 HydrophobicContact CG2-CD1 3.85Å; Q408-L412 PolarHBondContact O-N 2.9Å; L409-L412 PolarHBondContact O-N 3.27Å; R410-L412 PolarHBondContact O-N 3.36Å; L412-S415 PolarHBondContact O-N 2.9Å; L412-L416 HydrophobicContact CD1-CD1 3.97Å; L412-L416 HydrophobicContact CD1-CG 4.43Å; L412-L416 HydrophobicContact CG-CD1 4.24Å; L412-L416 WeakPolarHBondContact O-CG 3.32Å; L412-L416 PolarHBondContact O-N 3.3Å; L412-L416 VanDerWaalsContact O-N 3.11Å
413	L	86.7	Confident	86.6	Confident	115 Å²	115	70.4 Å²	70.4	60%	0.602	35%	0.347	S	S	*	.	H	α-helix	trans	-65.5	-37.8	-179.5	-69.4	170.5	0	0	0	112.5	L409 R410 L416 A417	L409-L413 WeakPolarHBondContact O-CB 3.46Å; L409-L413 VanDerWaalsContact O-CG 3.32Å; L409-L413 WeakPolarHBondContact O-CG 3.38Å; L409-L413 PolarHBondContact O-N 2.9Å; R410-L413 PolarHBondContact O-N 3.27Å; R410-L413 VanDerWaalsContact O-N 3.15Å; L413-L416 PolarHBondContact O-N 3.46Å; L413-A417 VanDerWaalsContact O-CB 3.26Å; L413-A417 WeakPolarHBondContact O-CB 3.44Å; L413-A417 PolarHBondContact O-N 3.03Å
414	E	90.1	Very high	86.8	Confident	115 Å²	115	67.4 Å²	67.4	54%	0.537	34%	0.336	S	S	.	.	H	α-helix	trans	-66.3	-41	176.9	-73.2	163.3	-164.1	0	0	111.2	R410 A417 E418	R410-E414 VanDerWaalsContact O-CB 3.28Å; R410-E414 WeakPolarHBondContact O-CB 3.37Å; R410-E414 VanDerWaalsContact O-CG 3.26Å; R410-E414 WeakPolarHBondContact O-CG 3.43Å; R410-E414 PolarHBondContact O-N 3.35Å; E414-A417 PolarHBondContact O-N 3.25Å; E414-E418 WeakPolarHBondContact O-CB 3.39Å; E414-E418 PolarHBondContact O-N 3.43Å
415	S	86.7	Confident	87	Confident	9 Å²	9	71.4 Å²	71.4	6%	0.063	36%	0.358	C	S	.	.	H	α-helix	trans	-64.5	-40.8	174.9	-55.4	0	0	0	0	112.2	I299 Q302 S411 L412 L419	I299-S415 WeakPolarHBondContact CG1-O 3.18Å; Q302-S415 PolarHBondContact OE1-OG 2.9Å; S411-S415 WeakPolarHBondContact O-CB 3.35Å; S411-S415 PolarHBondContact O-N 3.3Å; S411-S415 PolarHBondContact O-OG 3.17Å; L412-S415 PolarHBondContact O-N 2.9Å; S415-L419 PolarHBondContact O-N 3.22Å; S415-L419 VanDerWaalsContact O-N 3.15Å
416	L	83.8	Confident	87	Confident	45 Å²	45	73.3 Å²	73.3	24%	0.236	36%	0.363	C	S	.	.	H	α-helix	trans	-71.4	-39.3	177.6	-68.2	170.3	0	0	0	112.2	I299 I303 L412 L413 E418 L419 H420	I299-L416 HydrophobicContact CG2-CD2 4.32Å; I303-L416 HydrophobicContact CD1-CD2 4.39Å; L412-L416 HydrophobicContact CD1-CD1 3.97Å; L412-L416 HydrophobicContact CD1-CG 4.43Å; L412-L416 HydrophobicContact CG-CD1 4.24Å; L412-L416 WeakPolarHBondContact O-CG 3.32Å; L412-L416 PolarHBondContact O-N 3.3Å; L412-L416 VanDerWaalsContact O-N 3.11Å; L413-L416 PolarHBondContact O-N 3.46Å; L416-E418 VanDerWaalsContact C-N 3.33Å; L416-E418 PolarHBondContact O-N 3.12Å; L416-L419 WeakPolarHBondContact O-CB 3.31Å; L416-L419 PolarHBondContact O-N 3.19Å; L416-H420 PolarHBondContact O-CD2 3.35Å; L416-H420 PolarHBondContact O-N 2.78Å
417	A	88.3	Confident	86.9	Confident	43 Å²	43	73.8 Å²	73.8	36%	0.355	37%	0.365	S	S	.	.	H	α-helix	trans	-65.9	-35.5	175.1	0	0	0	0	0	112.2	L413 E414 R421	L413-A417 VanDerWaalsContact O-CB 3.26Å; L413-A417 WeakPolarHBondContact O-CB 3.44Å; L413-A417 PolarHBondContact O-N 3.03Å; E414-A417 PolarHBondContact O-N 3.25Å; A417-R421 WeakPolarHBondContact O-CG 3.38Å; A417-R421 PolarHBondContact O-N 3.09Å
418	E	87.9	Confident	86.8	Confident	106 Å²	106	73.7 Å²	73.7	50%	0.495	37%	0.371	S	S	.	.	H	α-helix	trans	-66.9	-42.2	175.1	-167.8	69.6	168.8	0	0	112.2	E414 L416 R421 S422	E414-E418 WeakPolarHBondContact O-CB 3.39Å; E414-E418 PolarHBondContact O-N 3.43Å; L416-E418 VanDerWaalsContact C-N 3.33Å; L416-E418 PolarHBondContact O-N 3.12Å; E418-R421 IonicContact OE2-CZ 2.77Å; E418-R421 IonicContact OE2-NE 3.79Å; E418-R421 PolarHBondContact OE2-NE 2.69Å; E418-R421 IonicContact OE2-NH2 3.62Å; E418-R421 PolarHBondContact OE2-NH2 3.33Å; E418-S422 WeakPolarHBondContact O-CB 3.39Å; E418-S422 PolarHBondContact O-N 3.03Å
419	L	84.4	Confident	86.8	Confident	3 Å²	3	77.3 Å²	77.3	2%	0.016	40%	0.397	C	S	.	.	H	α-helix	trans	-53.6	-59.9	169.3	166.7	72.5	0	0	0	110.9	Y252 I299 S415 L416 R421 S422 L423	Y252-L419 HydrophobicContact CE2-CD2 4.38Å; Y252-L419 WeakPolarHBondContact OH-CD2 3.29Å; I299-L419 HydrophobicContact CD1-CB 3.84Å; I299-L419 HydrophobicContact CD1-CD1 4.22Å; I299-L419 HydrophobicContact CG1-CB 3.95Å; S415-L419 PolarHBondContact O-N 3.22Å; S415-L419 VanDerWaalsContact O-N 3.15Å; L416-L419 WeakPolarHBondContact O-CB 3.31Å; L416-L419 PolarHBondContact O-N 3.19Å; L419-R421 VanDerWaalsContact C-N 3.28Å; L419-R421 PolarHBondContact O-N 2.87Å; L419-S422 CarbonylContact O-C 3.53Å; L419-S422 WeakPolarHBondContact O-CA 3.28Å; L419-S422 PolarHBondContact O-N 3.24Å; L419-L423 HydrophobicContact CD1-CD1 4.06Å; L419-L423 HydrophobicContact CD1-CD2 3.94Å; L419-L423 HydrophobicContact CD1-CG 3.91Å; L419-L423 HydrophobicContact CG-CD1 4.32Å; L419-L423 HydrophobicContact CG-CG 4.28Å; L419-L423 WeakPolarHBondContact O-CG 3.45Å; L419-L423 PolarHBondContact O-N 3.4Å
420	H	86	Confident	86.8	Confident	116 Å²	116	76.3 Å²	76.3	54%	0.537	39%	0.392	S	S	.	.	H	α-helix	trans	-61.6	-36.2	-172.5	-75.8	-71	0	0	0	112.4	L416 L423 V424	L416-H420 PolarHBondContact O-CD2 3.35Å; L416-H420 PolarHBondContact O-N 2.78Å; H420-L423 PolarHBondContact O-N 3.03Å; H420-V424 WeakPolarHBondContact O-CG2 3.26Å; H420-V424 PolarHBondContact O-N 3.17Å
421	R	89.4	Confident	86.5	Confident	141 Å²	141	73.1 Å²	73.1	53%	0.532	39%	0.389	S	S	.	.	H	α-helix	trans	-61.6	-49.9	169.8	-72.7	-173.8	-65.1	-137	1.3	111.9	A417 E418 L419 L423 V424 D425	A417-R421 WeakPolarHBondContact O-CG 3.38Å; A417-R421 PolarHBondContact O-N 3.09Å; E418-R421 IonicContact OE2-CZ 2.77Å; E418-R421 IonicContact OE2-NE 3.79Å; E418-R421 PolarHBondContact OE2-NE 2.69Å; E418-R421 IonicContact OE2-NH2 3.62Å; E418-R421 PolarHBondContact OE2-NH2 3.33Å; L419-R421 VanDerWaalsContact C-N 3.28Å; L419-R421 PolarHBondContact O-N 2.87Å; R421-L423 PolarHBondContact O-N 2.7Å; R421-L423 VanDerWaalsContact O-N 3.16Å; R421-V424 PolarHBondContact O-N 3.48Å; R421-V424 VanDerWaalsContact O-N 3.17Å; R421-D425 WeakPolarHBondContact O-CB 3.32Å; R421-D425 VanDerWaalsContact O-CG 3.29Å; R421-D425 PolarHBondContact O-N 3.49Å
422	S	87.5	Confident	86.2	Confident	45 Å²	45	76.5 Å²	76.5	32%	0.315	41%	0.41	S	S	.	.	H	α-helix	trans	-63.3	-20	177.4	-172.8	0	0	0	0	113.9	E418 L419 R426	E418-S422 WeakPolarHBondContact O-CB 3.39Å; E418-S422 PolarHBondContact O-N 3.03Å; L419-S422 CarbonylContact O-C 3.53Å; L419-S422 WeakPolarHBondContact O-CA 3.28Å; L419-S422 PolarHBondContact O-N 3.24Å; S422-R426 VanDerWaalsContact O-CB 3.26Å; S422-R426 WeakPolarHBondContact O-CB 3.36Å
423	L	86.6	Confident	85.8	Confident	33 Å²	33	76 Å²	76	17%	0.173	41%	0.407	C	S	.	.	H	α-helix	trans	-81.8	-45	172.2	-61.1	-162.1	0	0	0	111.6	L292 L419 H420 R421 R426 L427	L292-L423 HydrophobicContact CD2-CD1 4.13Å; L292-L423 HydrophobicContact CD2-CD2 3.53Å; L292-L423 HydrophobicContact CD2-CG 4.35Å; L419-L423 HydrophobicContact CD1-CD1 4.06Å; L419-L423 HydrophobicContact CD1-CD2 3.94Å; L419-L423 HydrophobicContact CD1-CG 3.91Å; L419-L423 HydrophobicContact CG-CD1 4.32Å; L419-L423 HydrophobicContact CG-CG 4.28Å; L419-L423 WeakPolarHBondContact O-CG 3.45Å; L419-L423 PolarHBondContact O-N 3.4Å; H420-L423 PolarHBondContact O-N 3.03Å; R421-L423 PolarHBondContact O-N 2.7Å; R421-L423 VanDerWaalsContact O-N 3.16Å; L423-R426 PolarHBondContact O-N 2.94Å; L423-L427 WeakPolarHBondContact O-CB 3.23Å; L423-L427 PolarHBondContact O-N 3.42Å
424	V	88.7	Confident	85.3	Confident	77 Å²	77	75 Å²	75	47%	0.467	40%	0.398	S	S	.	.	H	α-helix	trans	-63.4	-49.4	176.2	172.4	0	0	0	0	111	H420 R421 R426 L427 D428	H420-V424 WeakPolarHBondContact O-CG2 3.26Å; H420-V424 PolarHBondContact O-N 3.17Å; R421-V424 PolarHBondContact O-N 3.48Å; R421-V424 VanDerWaalsContact O-N 3.17Å; V424-R426 PolarHBondContact O-N 3Å; V424-R426 VanDerWaalsContact O-N 3.11Å; V424-L427 PolarHBondContact O-N 2.96Å; V424-D428 PolarHBondContact O-N 3.44Å
425	D	88.7	Confident	84.8	Confident	112 Å²	112	73.6 Å²	73.6	60%	0.599	40%	0.399	S	S	*	.	H	α-helix	trans	-57.3	-30.2	176.2	-68	-21.5	0	0	0	111.9	R421 S429	R421-D425 WeakPolarHBondContact O-CB 3.32Å; R421-D425 VanDerWaalsContact O-CG 3.29Å; R421-D425 PolarHBondContact O-N 3.49Å; D425-S429 WeakPolarHBondContact O-CB 3.49Å; D425-S429 PolarHBondContact O-N 2.83Å
426	R	85.4	Confident	84.2	Confident	69 Å²	69	75.2 Å²	75.2	26%	0.26	41%	0.407	S	S	.	.	H	α-helix	trans	-79.4	-38.8	176.8	-170.2	-176.4	-54.8	-56.6	4	111.8	F288 D295 S422 L423 V424 S429	F288-R426 HydrophobicContact CD2-CG 3.88Å; F288-R426 HydrophobicContact CE2-CB 4.17Å; F288-R426 HydrophobicContact CE2-CG 3.74Å; D295-R426 IonicContact OD1-NH2 2.6Å; D295-R426 IonicContact OD2-CZ 2.77Å; D295-R426 IonicContact OD2-NE 2.68Å; D295-R426 PolarHBondContact OD2-NE 3.5Å; D295-R426 IonicContact OD2-NH2 3.81Å; D295-R426 PolarHBondContact OD2-NH2 2.98Å; S422-R426 VanDerWaalsContact O-CB 3.26Å; S422-R426 WeakPolarHBondContact O-CB 3.36Å; L423-R426 PolarHBondContact O-N 2.94Å; V424-R426 PolarHBondContact O-N 3Å; V424-R426 VanDerWaalsContact O-N 3.11Å; R426-S429 PolarHBondContact O-N 2.88Å; R426-S429 PolarHBondContact O-OG 3.07Å
427	L	85.4	Confident	83.9	Confident	97 Å²	97	78.1 Å²	78.1	51%	0.508	42%	0.419	S	S	.	.	H	α-helix	trans	-66.3	-47.8	176.9	-176.8	60.6	0	0	0	111.2	F288 L423 V424 S429 L430	F288-L427 HydrophobicContact CE2-CB 4.48Å; F288-L427 HydrophobicContact CZ-CB 4.41Å; F288-L427 HydrophobicContact CZ-CD1 4.28Å; L423-L427 WeakPolarHBondContact O-CB 3.23Å; L423-L427 PolarHBondContact O-N 3.42Å; V424-L427 PolarHBondContact O-N 2.96Å; L427-S429 PolarHBondContact O-N 2.76Å; L427-S429 VanDerWaalsContact O-N 3.17Å; L427-L430 HydrophobicContact CD1-CD1 3.98Å; L427-L430 WeakPolarHBondContact O-CB 3.39Å; L427-L430 WeakPolarHBondContact O-CG 3.5Å; L427-L430 PolarHBondContact O-N 3.38Å
428	D	85.7	Confident	83.2	Confident	132 Å²	132	78.4 Å²	78.4	71%	0.706	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-21	174.7	-75.5	-6.4	0	0	0	112.8	V424	V424-D428 PolarHBondContact O-N 3.44Å
429	S	86.6	Confident	82.3	Confident	83 Å²	83	79 Å²	79	58%	0.58	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-5.9	175.7	80.3	0	0	0	0	114.7	D425 R426 L427	D425-S429 WeakPolarHBondContact O-CB 3.49Å; D425-S429 PolarHBondContact O-N 2.83Å; R426-S429 PolarHBondContact O-N 2.88Å; R426-S429 PolarHBondContact O-OG 3.07Å; L427-S429 PolarHBondContact O-N 2.76Å; L427-S429 VanDerWaalsContact O-N 3.17Å
430	L	84.5	Confident	81.6	Confident	49 Å²	49	85.1 Å²	85.1	26%	0.257	45%	0.449	S	S	.	.	S	Bend	trans	-70.5	142.1	178.9	-64.6	-172.3	0	0	0	111.3	T284 F288 L427	T284-L430 HydrophobicContact CG2-CD2 4.05Å; F288-L430 HydrophobicContact CD2-CD1 4.17Å; F288-L430 HydrophobicContact CD2-CD2 4.07Å; F288-L430 HydrophobicContact CD2-CG 4.45Å; F288-L430 HydrophobicContact CE2-CD1 4.34Å; L427-L430 HydrophobicContact CD1-CD1 3.98Å; L427-L430 WeakPolarHBondContact O-CB 3.39Å; L427-L430 WeakPolarHBondContact O-CG 3.5Å; L427-L430 PolarHBondContact O-N 3.38Å
431	P	82.3	Confident	80.9	Confident	71 Å²	71	85.9 Å²	85.9	46%	0.461	45%	0.451	S	S	.	.			trans	-66.6	158.2	170.3	30.1	-34.7	0	0	0	110.8	L433	P431-L433 HydrophobicContact CG-CD2 3.88Å; P431-L433 WeakPolarHBondContact O-CG 3.3Å; P431-L433 PolarHBondContact O-N 3.49Å
432	P	81.2	Confident	79.8	Confident	116 Å²	116	88.4 Å²	88.4	75%	0.753	47%	0.469	S	S	*	.			trans	-66.9	96.3	174.4	27.9	-34.3	0	0	0	110.5
433	L	75.6	Confident	79	Confident	20 Å²	20	90.2 Å²	90.2	11%	0.105	48%	0.478	C	S	.	.			trans	-75.7	-38.1	-178.1	-63.8	-176.9	0	0	0	112.2	R277 A281 T284 F285 P431	R277-L433 PolarHBondContact NH2-O 3.08Å; A281-L433 HydrophobicContact CB-CB 4.18Å; A281-L433 HydrophobicContact CB-CD1 4.25Å; A281-L433 HydrophobicContact CB-CD2 4.05Å; A281-L433 HydrophobicContact CB-CG 4.38Å; T284-L433 HydrophobicContact CG2-CD1 4.19Å; F285-L433 HydrophobicContact CD1-CD1 4.15Å; F285-L433 HydrophobicContact CD2-CD1 4.21Å; F285-L433 HydrophobicContact CE1-CD1 3.71Å; F285-L433 HydrophobicContact CE2-CD1 3.79Å; F285-L433 HydrophobicContact CG-CD1 4.38Å; F285-L433 HydrophobicContact CZ-CB 4.47Å; F285-L433 HydrophobicContact CZ-CD1 3.52Å; P431-L433 HydrophobicContact CG-CD2 3.88Å; P431-L433 WeakPolarHBondContact O-CG 3.3Å; P431-L433 PolarHBondContact O-N 3.49Å
434	F	76.5	Confident	77.8	Confident	92 Å²	92	92.6 Å²	92.6	40%	0.404	49%	0.491	S	S	.	.			trans	-79.5	157.2	-172.1	-66.2	-83.7	0	0	0	114.3	R277 F285 I436 Q577	R277-F434 VanDerWaalsContact NH2-C 3.25Å; R277-F434 PolarHBondContact NH2-O 3.31Å; F285-F434 AromaticContact CZ-CE2 3.98Å; F285-F434 HydrophobicContact CZ-CE2 3.98Å; F285-F434 AromaticContact CZ-CZ 3.87Å; F285-F434 HydrophobicContact CZ-CZ 3.87Å; F434-I436 HydrophobicContact CD1-CD1 4.1Å; F434-I436 HydrophobicContact CD1-CG1 4.02Å; F434-I436 HydrophobicContact CE1-CD1 3.84Å; F434-I436 HydrophobicContact CE1-CG1 4.26Å; F434-I436 HydrophobicContact CZ-CD1 4.29Å; F434-Q577 WeakPolarHBondContact CE1-OXT 3.45Å
435	P	79.8	Confident	76.6	Confident	86 Å²	86	94.3 Å²	94.3	56%	0.558	49%	0.493	S	S	*	.	S	Bend	cis	-67.9	152.5	-13	30.5	-36.3	0	0	0	111.7	R277	R277-P435 PolarHBondContact NE-O 3.06Å; R277-P435 PolarHBondContact NH1-O 2.95Å; R277-P435 PolarHBondContact NH2-O 3.04Å
436	I	74.7	Confident	74.9	Confident	44 Å²	44	95.7 Å²	95.7	23%	0.226	50%	0.496	C	S	.	.			trans	-105.8	102.5	177.9	-56	173.2	0	0	0	108.2	A278 A281 F282 F285 F434 V438	A278-I436 HydrophobicContact CB-CG2 3.92Å; A281-I436 HydrophobicContact CB-CD1 3.9Å; A281-I436 HydrophobicContact CB-CG1 4.23Å; F282-I436 HydrophobicContact CZ-CG2 4.41Å; F285-I436 HydrophobicContact CE2-CD1 3.63Å; F285-I436 HydrophobicContact CZ-CD1 4.21Å; F434-I436 HydrophobicContact CD1-CD1 4.1Å; F434-I436 HydrophobicContact CD1-CG1 4.02Å; F434-I436 HydrophobicContact CE1-CD1 3.84Å; F434-I436 HydrophobicContact CE1-CG1 4.26Å; F434-I436 HydrophobicContact CZ-CD1 4.29Å; I436-V438 HydrophobicContact CG2-CG2 4.21Å
437	E	75.9	Confident	73.3	Confident	106 Å²	106	101.4 Å²	101.4	50%	0.495	52%	0.518	S	S	.	.			trans	-71.4	145.7	168.5	-67.5	153.2	-153.7	0	0	109.8	Q275 A278	Q275-E437 PolarHBondContact NE2-OE2 3.18Å; Q275-E437 VanDerWaalsContact OE1-C 3.27Å; Q275-E437 VanDerWaalsContact OE1-CB 3.27Å; Q275-E437 PolarHBondContact OE1-O 3.2Å; Q275-E437 VanDerWaalsContact OE1-O 3.13Å; A278-E437 WeakPolarHBondContact CB-O 3.24Å
438	V	73.8	Confident	71.6	Confident	49 Å²	49	106.8 Å²	106.8	30%	0.297	54%	0.538	S	S	.	.			trans	-142.8	120.8	177.1	179.8	0	0	0	0	109.3	F282 I436 F440	F282-V438 HydrophobicContact CE2-CG2 4.38Å; F282-V438 HydrophobicContact CZ-CG2 4.32Å; I436-V438 HydrophobicContact CG2-CG2 4.21Å; V438-F440 HydrophobicContact CB-CD2 4.48Å; V438-F440 HydrophobicContact CB-CE2 4.02Å; V438-F440 HydrophobicContact CB-CZ 4.47Å; V438-F440 HydrophobicContact CG1-CD2 4.33Å; V438-F440 HydrophobicContact CG1-CE1 4.44Å; V438-F440 HydrophobicContact CG1-CE2 3.93Å; V438-F440 HydrophobicContact CG1-CZ 3.99Å; V438-F440 WeakPolarHBondContact O-CD2 3.45Å; V438-F440 PolarHBondContact O-N 2.94Å
439	D	70.3	Confident	69.7	Low	118 Å²	118	104 Å²	104	63%	0.631	53%	0.529	S	S	*	.			trans	-78.6	83.2	-176.6	-88.8	-28.3	0	0	0	112.6
440	F	68.7	Low	68	Low	131 Å²	131	105.9 Å²	105.9	58%	0.575	54%	0.542	S	S	*	.			trans	-73.2	139.1	169.8	-65.5	-77.8	0	0	0	112.4	V438 F445	V438-F440 HydrophobicContact CB-CD2 4.48Å; V438-F440 HydrophobicContact CB-CE2 4.02Å; V438-F440 HydrophobicContact CB-CZ 4.47Å; V438-F440 HydrophobicContact CG1-CD2 4.33Å; V438-F440 HydrophobicContact CG1-CE1 4.44Å; V438-F440 HydrophobicContact CG1-CE2 3.93Å; V438-F440 HydrophobicContact CG1-CZ 3.99Å; V438-F440 WeakPolarHBondContact O-CD2 3.45Å; V438-F440 PolarHBondContact O-N 2.94Å; F440-F445 HydrophobicContact CB-CE2 3.72Å; F440-F445 HydrophobicContact CB-CZ 4.4Å; F440-F445 HydrophobicContact CD1-CE1 4.48Å; F440-F445 AromaticContact CD1-CE2 3.67Å; F440-F445 HydrophobicContact CD1-CE2 3.67Å; F440-F445 AromaticContact CD1-CZ 3.51Å; F440-F445 HydrophobicContact CD1-CZ 3.51Å; F440-F445 HydrophobicContact CD2-CE2 4.09Å; F440-F445 HydrophobicContact CD2-CZ 4.08Å; F440-F445 HydrophobicContact CE1-CE1 4.42Å; F440-F445 HydrophobicContact CE1-CE2 4.29Å; F440-F445 AromaticContact CE1-CZ 3.66Å; F440-F445 HydrophobicContact CE1-CZ 3.66Å; F440-F445 HydrophobicContact CE2-CZ 4.21Å; F440-F445 AromaticContact CG-CE2 3.55Å; F440-F445 HydrophobicContact CG-CE2 3.55Å; F440-F445 AromaticContact CG-CZ 3.74Å; F440-F445 HydrophobicContact CG-CZ 3.74Å; F440-F445 HydrophobicContact CZ-CZ 4.01Å
441	K	72.1	Confident	66.2	Low	132 Å²	132	109.3 Å²	109.3	57%	0.574	57%	0.565	S	S	*	*			trans	-93.5	154.9	171.4	-61.6	152.8	-170.7	137.6	0	110.6	T443 D444	K441-T443 WeakPolarHBondContact CB-OG1 3.34Å; K441-T443 PolarHBondContact O-N 3.02Å; K441-D444 WeakPolarHBondContact CB-OD2 3.36Å; K441-D444 PolarHBondContact N-OD2 3.42Å; K441-D444 WeakPolarHBondContact O-CB 3.49Å; K441-D444 PolarHBondContact O-N 3.37Å
442	E	65.3	Low	64.1	Low	194 Å²	194	113.1 Å²	113.1	91%	0.907	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.4	-19.4	174.8	-59.8	-178.3	154.4	0	0	114
443	T	70.3	Confident	62.2	Low	83 Å²	83	116.7 Å²	116.7	51%	0.509	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.8	-24.2	175.1	43.2	0	0	0	0	114.3	K441 Q446	K441-T443 WeakPolarHBondContact CB-OG1 3.34Å; K441-T443 PolarHBondContact O-N 3.02Å; T443-Q446 WeakPolarHBondContact O-CB 3.34Å; T443-Q446 WeakPolarHBondContact O-CG 3.44Å; T443-Q446 PolarHBondContact O-N 3.05Å
444	D	63.3	Low	60.7	Low	83 Å²	83	121.5 Å²	121.5	44%	0.444	62%	0.616	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.4	-29.1	-155.9	-56.8	-12.6	0	0	0	111.4	K441	K441-D444 WeakPolarHBondContact CB-OD2 3.36Å; K441-D444 PolarHBondContact N-OD2 3.42Å; K441-D444 WeakPolarHBondContact O-CB 3.49Å; K441-D444 PolarHBondContact O-N 3.37Å
445	F	62.8	Low	59.1	Low	113 Å²	113	125.4 Å²	125.4	50%	0.496	64%	0.636	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.8	22.7	172.9	-60.7	-68.2	0	0	0	114	F440 Y447	F440-F445 HydrophobicContact CB-CE2 3.72Å; F440-F445 HydrophobicContact CB-CZ 4.4Å; F440-F445 HydrophobicContact CD1-CE1 4.48Å; F440-F445 AromaticContact CD1-CE2 3.67Å; F440-F445 HydrophobicContact CD1-CE2 3.67Å; F440-F445 AromaticContact CD1-CZ 3.51Å; F440-F445 HydrophobicContact CD1-CZ 3.51Å; F440-F445 HydrophobicContact CD2-CE2 4.09Å; F440-F445 HydrophobicContact CD2-CZ 4.08Å; F440-F445 HydrophobicContact CE1-CE1 4.42Å; F440-F445 HydrophobicContact CE1-CE2 4.29Å; F440-F445 AromaticContact CE1-CZ 3.66Å; F440-F445 HydrophobicContact CE1-CZ 3.66Å; F440-F445 HydrophobicContact CE2-CZ 4.21Å; F440-F445 AromaticContact CG-CE2 3.55Å; F440-F445 HydrophobicContact CG-CE2 3.55Å; F440-F445 AromaticContact CG-CZ 3.74Å; F440-F445 HydrophobicContact CG-CZ 3.74Å; F440-F445 HydrophobicContact CZ-CZ 4.01Å; F445-Y447 HydrophobicContact CB-CE2 4.31Å; F445-Y447 HydrophobicContact CD1-CE2 4.06Å; F445-Y447 VanDerWaalsContact O-CD2 3.29Å; F445-Y447 WeakPolarHBondContact O-CD2 3.35Å; F445-Y447 PolarHBondContact O-N 3.47Å
446	Q	53.3	Low	57.4	Low	142 Å²	142	130.2 Å²	130.2	66%	0.664	65%	0.651	S	S	*	*			trans	-74	64.1	172.6	-68.6	-171	15	0	0	112.3	T443 K448	T443-Q446 WeakPolarHBondContact O-CB 3.34Å; T443-Q446 WeakPolarHBondContact O-CG 3.44Å; T443-Q446 PolarHBondContact O-N 3.05Å; Q446-K448 PolarHBondContact O-N 3.12Å
447	Y	50.9	Low	56.1	Low	188 Å²	188	135.2 Å²	135.2	74%	0.737	68%	0.678	S	S	*	*			trans	-54	126.3	167.8	-68.4	-79.7	0	0	0	109.8	F445 S449	F445-Y447 HydrophobicContact CB-CE2 4.31Å; F445-Y447 HydrophobicContact CD1-CE2 4.06Å; F445-Y447 VanDerWaalsContact O-CD2 3.29Å; F445-Y447 WeakPolarHBondContact O-CD2 3.35Å; F445-Y447 PolarHBondContact O-N 3.47Å; Y447-S449 PolarHBondContact O-N 3.04Å
448	K	49.9	Very low	54.6	Low	211 Å²	211	137.4 Å²	137.4	92%	0.917	69%	0.692	S	S	*	*			trans	-77.4	50.7	179.1	-64.9	-179.6	-179	173.3	0	112.1	Q446	Q446-K448 PolarHBondContact O-N 3.12Å
449	S	47	Very low	53.6	Low	73 Å²	73	142.2 Å²	142.2	51%	0.51	72%	0.716	S	S	.	*			trans	-101.1	91.4	174.7	-175.2	0	0	0	0	108.9	Y447 T451	Y447-S449 PolarHBondContact O-N 3.04Å; S449-T451 PolarHBondContact O-N 2.98Å
450	S	49.1	Very low	52.5	Low	122 Å²	122	144.5 Å²	144.5	85%	0.853	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	7.7	-173.8	-45	0	0	0	0	115.5
451	T	48.1	Very low	51.3	Low	121 Å²	121	146.8 Å²	146.8	74%	0.742	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	-23.6	-159.6	-50.1	0	0	0	0	113.4	S449	S449-T451 PolarHBondContact O-N 2.98Å
452	L	38.7	Very low	49.9	Very low	151 Å²	151	147.5 Å²	147.5	79%	0.791	75%	0.75	S	S	*	*			trans	-108.7	85.5	-177.4	-65.4	175.3	0	0	0	110.7
453	K	41.3	Very low	48.7	Very low	192 Å²	192	148 Å²	148	84%	0.835	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-78.6	129.2	155.8	-75.1	-167.1	170.2	-162.2	0	108.2
454	P	43	Very low	47.1	Very low	120 Å²	120	147.7 Å²	147.7	78%	0.779	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-54.5	140.7	164.7	-23.1	34.2	0	0	0	109.9	E456	P454-E456 PolarHBondContact O-N 3.44Å
455	Q	43.5	Very low	45.8	Very low	175 Å²	175	151.5 Å²	151.5	82%	0.818	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-77.1	118.4	165.8	-76.4	-176	-117.7	0	0	108.1	L457	Q455-L457 PolarHBondContact O-N 3.16Å
456	E	43.7	Very low	44.1	Very low	186 Å²	186	152.3 Å²	152.3	87%	0.869	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-61	122.5	160.7	-68.6	160.2	-175.2	0	0	107	P454	P454-E456 PolarHBondContact O-N 3.44Å
457	L	46.4	Very low	43	Very low	150 Å²	150	153.7 Å²	153.7	79%	0.785	79%	0.794	S	S	*	*			trans	-105	118.1	173.5	-75.5	167.1	0	0	0	106.3	Q455	Q455-L457 PolarHBondContact O-N 3.16Å
458	D	44.9	Very low	42.5	Very low	151 Å²	151	150 Å²	150	81%	0.807	79%	0.793	S	S	*	*			trans	-66.4	131.6	-179.3	-68.7	-57.7	0	0	0	111	D460	D458-D460 PolarHBondContact O-N 3.48Å; D458-D460 VanDerWaalsContact O-N 3.11Å
459	D	52.4	Low	41.5	Very low	150 Å²	150	148.7 Å²	148.7	80%	0.802	79%	0.79	S	S	*	*	G	3₁₀ helix	trans	-65.9	-14.1	-170.6	-70	-61.2	0	0	0	115.1	E461	D459-E461 PolarHBondContact O-N 3.35Å
460	D	47.9	Very low	40.5	Very low	166 Å²	166	150.6 Å²	150.6	89%	0.888	80%	0.803	S	S	*	*	G	3₁₀ helix	trans	-74.7	-11.3	-167.6	-81.1	-26.9	0	0	0	115.6	D458	D458-D460 PolarHBondContact O-N 3.48Å; D458-D460 VanDerWaalsContact O-N 3.11Å
461	E	43.1	Very low	39.5	Very low	179 Å²	179	151.2 Å²	151.2	84%	0.836	80%	0.802	S	S	*	*	G	3₁₀ helix	trans	-94.6	-4	-171.8	-155.6	168	-145.6	0	0	115.2	D459	D459-E461 PolarHBondContact O-N 3.35Å
462	I	42.3	Very low	39	Very low	147 Å²	147	150.8 Å²	150.8	75%	0.754	80%	0.802	S	S	*	*	G	3₁₀ helix	trans	-85.2	-29.9	-170.7	-60.9	-177.9	0	0	0	114.2	A464	I462-A464 VanDerWaalsContact C-N 3.25Å; I462-A464 PolarHBondContact O-N 2.85Å; I462-A464 VanDerWaalsContact O-N 3.07Å
463	E	40.1	Very low	38.5	Very low	204 Å²	204	149 Å²	149	95%	0.953	80%	0.802	S	S	*	*	G	3₁₀ helix	trans	-80.8	21.7	-173.3	-68.4	-147.5	141.2	0	0	115.7
464	A	38.5	Very low	38	Very low	77 Å²	77	148.5 Å²	148.5	64%	0.636	80%	0.802	S	S	*	*	G	3₁₀ helix	trans	-143.1	32.4	-168.2	0	0	0	0	0	119	I462	I462-A464 VanDerWaalsContact C-N 3.25Å; I462-A464 PolarHBondContact O-N 2.85Å; I462-A464 VanDerWaalsContact O-N 3.07Å
465	N	34.3	Very low	37.6	Very low	164 Å²	164	148.6 Å²	148.6	88%	0.877	80%	0.8	S	S	*	*			trans	-155.5	140.8	151.7	-109.5	-46.7	0	0	0	119.3
466	N	27.9	Very low	37	Very low	129 Å²	129	146.5 Å²	146.5	69%	0.69	80%	0.795	S	S	*	*			trans	-69.1	144	-172.4	-72.4	-74.6	0	0	0	116.9
467	H	29.2	Very low	36.2	Very low	172 Å²	172	143.4 Å²	143.4	80%	0.796	79%	0.792	S	S	*	*			trans	68.9	157.5	138.7	-76.1	-49.4	0	0	0	120
468	P	40.9	Very low	35.5	Very low	111 Å²	111	139.3 Å²	139.3	72%	0.721	79%	0.786	S	S	*	*			trans	-96.9	137.3	-147.4	35.3	-34.4	0	0	0	114.7
469	H	29.2	Very low	35	Very low	182 Å²	182	141.6 Å²	141.6	84%	0.843	79%	0.789	S	S	*	*			trans	-136.1	131.3	155	-96.7	-76.4	0	0	0	111.4
470	S	26.4	Very low	34	Very low	113 Å²	113	143.1 Å²	143.1	79%	0.79	79%	0.791	S	S	*	*			trans	-33.4	124.4	175.9	51.6	0	0	0	0	117.2
471	T	28.4	Very low	33.4	Very low	135 Å²	135	139.2 Å²	139.2	83%	0.828	78%	0.783	S	S	*	*			trans	-127.1	153.9	158.9	32.3	0	0	0	0	110.3
472	P	36.1	Very low	33	Very low	113 Å²	113	137.4 Å²	137.4	73%	0.734	78%	0.783	S	S	*	*			trans	-92.1	143.4	-159.7	34.8	-35.6	0	0	0	114.6	Q474	P472-Q474 PolarHBondContact O-N 3.18Å; P472-Q474 VanDerWaalsContact O-N 3.12Å
473	S	30	Very low	32.9	Very low	113 Å²	113	138.4 Å²	138.4	79%	0.79	79%	0.785	S	S	*	*			trans	29.3	69.2	150.8	61.8	0	0	0	0	116.7	V475	S473-V475 PolarHBondContact O-N 2.93Å
474	Q	30	Very low	32.6	Very low	181 Å²	181	137.8 Å²	137.8	85%	0.846	78%	0.782	S	S	*	*			trans	-64.2	126.5	161.7	-176.7	169.7	-13	0	0	108.5	P472 D476	P472-Q474 PolarHBondContact O-N 3.18Å; P472-Q474 VanDerWaalsContact O-N 3.12Å; Q474-D476 PolarHBondContact O-N 2.97Å
475	V	33.8	Very low	32.4	Very low	122 Å²	122	140.1 Å²	140.1	74%	0.739	79%	0.79	S	S	*	*			trans	-77.8	115.5	177.6	-179.3	0	0	0	0	108	S473 C477	S473-V475 PolarHBondContact O-N 2.93Å; V475-C477 PolarHBondContact O-N 2.58Å
476	D	31	Very low	32.4	Very low	131 Å²	131	136.3 Å²	136.3	70%	0.701	78%	0.782	S	S	*	*			trans	-92	81.2	-169.1	-154.3	9.5	0	0	0	111	Q474 G478	Q474-D476 PolarHBondContact O-N 2.97Å; D476-G478 PolarHBondContact O-N 3.42Å
477	C	27.3	Very low	32.6	Very low	122 Å²	122	134.6 Å²	134.6	82%	0.824	79%	0.786	S	S	*	*			trans	-80.4	88.1	179.1	-64	0	0	0	0	110.8	V475	V475-C477 PolarHBondContact O-N 2.58Å
478	G	31.7	Very low	32.9	Very low	63 Å²	63	133.1 Å²	133.1	65%	0.649	78%	0.782	S	S	*	*			trans	-163.6	16.1	-176.5	0	0	0	0	0	117.8	D476 E480	D476-G478 PolarHBondContact O-N 3.42Å; G478-E480 PolarHBondContact O-N 2.89Å
479	F	34.2	Very low	32.6	Very low	199 Å²	199	134.5 Å²	134.5	87%	0.873	78%	0.782	S	S	*	*			trans	-82.3	92.5	177.5	-72.8	-72.9	0	0	0	111.9	A481	F479-A481 PolarHBondContact O-N 2.97Å; F479-A481 VanDerWaalsContact O-N 3.16Å
480	E	32	Very low	32.7	Very low	182 Å²	182	132.9 Å²	132.9	85%	0.85	78%	0.78	S	S	*	*			trans	-59.9	112.5	164.2	-71.4	-175.9	128.4	0	0	110.1	G478 V482	G478-E480 PolarHBondContact O-N 2.89Å; E480-V482 PolarHBondContact O-N 3.38Å
481	A	35	Very low	33	Very low	85 Å²	85	133.4 Å²	133.4	70%	0.702	78%	0.778	S	S	*	*			trans	-72.8	107	170.6	0	0	0	0	0	109.3	F479 E483	F479-A481 PolarHBondContact O-N 2.97Å; F479-A481 VanDerWaalsContact O-N 3.16Å; A481-E483 HydrophobicContact CB-CG 4.42Å; A481-E483 PolarHBondContact O-N 3.32Å
482	V	35.8	Very low	33	Very low	141 Å²	141	136.1 Å²	136.1	86%	0.855	78%	0.781	S	S	*	*			trans	-77.6	73.4	-178.4	-172.3	0	0	0	0	110.5	E480	E480-V482 PolarHBondContact O-N 3.38Å
483	E	38.3	Very low	32.7	Very low	168 Å²	168	135.5 Å²	135.5	79%	0.785	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-102.6	138.8	176.3	-58.2	-155.2	154.4	0	0	111.6	A481	A481-E483 HydrophobicContact CB-CG 4.42Å; A481-E483 PolarHBondContact O-N 3.32Å
484	Q	35.1	Very low	32.7	Very low	190 Å²	190	134.8 Å²	134.8	89%	0.888	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-85.7	131.5	-175.7	-67.7	-172.8	-7.9	0	0	110.9	A486	Q484-A486 PolarHBondContact O-N 2.85Å
485	P	34.2	Very low	32.6	Very low	126 Å²	126	136 Å²	136	82%	0.818	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-67.7	134.6	-176.2	26.7	-34.5	0	0	0	112.2
486	A	33.3	Very low	32.4	Very low	85 Å²	85	134.5 Å²	134.5	70%	0.702	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-69.8	159.5	173.1	0	0	0	0	0	112.1	Q484	Q484-A486 PolarHBondContact O-N 2.85Å
487	A	33.4	Very low	32.4	Very low	93 Å²	93	133.9 Å²	133.9	77%	0.769	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-74.3	131.9	-175.5	0	0	0	0	0	112.8	I489	A487-I489 PolarHBondContact O-N 3.11Å
488	I	35.7	Very low	32.7	Very low	141 Å²	141	133.3 Å²	133.3	72%	0.723	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-67	128.2	178.7	-57.1	168.1	0	0	0	110.2
489	I	34.8	Very low	32.8	Very low	139 Å²	139	137.2 Å²	137.2	71%	0.713	79%	0.794	S	S	*	*			trans	-111.6	101.9	174.5	-57.4	178.6	0	0	0	108.7	A487 V491	A487-I489 PolarHBondContact O-N 3.11Å; I489-V491 HydrophobicContact CG2-CG2 4.46Å; I489-V491 PolarHBondContact O-N 3.36Å
490	N	30.2	Very low	32.8	Very low	148 Å²	148	132 Å²	132	79%	0.791	78%	0.782	S	S	*	*			trans	-63.7	118.9	175.2	-72.1	2.7	0	0	0	110.8
491	V	32.1	Very low	33	Very low	125 Å²	125	127 Å²	127	76%	0.758	77%	0.767	S	S	*	*			trans	-113.2	130.8	167.5	-178.3	0	0	0	0	108.5	I489 A493	I489-V491 HydrophobicContact CG2-CG2 4.46Å; I489-V491 PolarHBondContact O-N 3.36Å; V491-A493 PolarHBondContact O-N 2.97Å
492	E	28.4	Very low	33.2	Very low	191 Å²	191	127 Å²	127	89%	0.893	76%	0.759	S	S	*	*			trans	-69.8	125.7	-172.5	-62.9	-172.2	139	0	0	112.2	A494	E492-A494 PolarHBondContact O-N 3.35Å
493	A	30.5	Very low	33.3	Very low	100 Å²	100	127.5 Å²	127.5	83%	0.826	76%	0.756	S	S	*	*			trans	-68.6	103.9	-175.1	0	0	0	0	0	112.7	V491 K495	V491-A493 PolarHBondContact O-N 2.97Å; A493-K495 PolarHBondContact O-N 3.34Å
494	A	29.6	Very low	33.5	Very low	98 Å²	98	125 Å²	125	81%	0.81	74%	0.744	S	S	*	*			trans	-65	122.8	169.8	0	0	0	0	0	110.8	E492 A496	E492-A494 PolarHBondContact O-N 3.35Å; A494-A496 PolarHBondContact O-N 3.14Å
495	K	27.9	Very low	34.3	Very low	207 Å²	207	117.2 Å²	117.2	90%	0.9	71%	0.711	S	S	*	*			trans	-68.7	101.4	-177.1	-67.8	178.4	179.2	177	0	111.6	A493 S497	A493-K495 PolarHBondContact O-N 3.34Å; K495-S497 PolarHBondContact O-N 2.87Å
496	A	31	Very low	35.3	Very low	91 Å²	91	113.8 Å²	113.8	75%	0.752	69%	0.693	S	S	*	*			trans	-68.3	112.8	171.2	0	0	0	0	0	110.8	A494 V498	A494-A496 PolarHBondContact O-N 3.14Å; A496-V498 PolarHBondContact O-N 2.9Å
497	S	30.8	Very low	36.6	Very low	117 Å²	117	112.9 Å²	112.9	82%	0.818	68%	0.682	S	S	*	*			trans	-81.4	106.8	170.4	55.8	0	0	0	0	110.2	K495	K495-S497 PolarHBondContact O-N 2.87Å
498	V	32.8	Very low	38.1	Very low	111 Å²	111	113.4 Å²	113.4	67%	0.673	67%	0.668	S	S	*	*			trans	-85.2	171.4	174.4	-169.7	0	0	0	0	109.8	A496	A496-V498 PolarHBondContact O-N 2.9Å
499	D	34.8	Very low	39.6	Very low	145 Å²	145	107.4 Å²	107.4	78%	0.775	64%	0.637	S	S	*	*	S	Bend	trans	71.2	61.5	174.4	-59.6	-29.8	0	0	0	117.7
500	S	32.9	Very low	41.2	Very low	90 Å²	90	105.2 Å²	105.2	63%	0.629	62%	0.624	S	S	*	*	S	Bend	trans	-159.9	-39.7	147.7	-171.3	0	0	0	0	111.9	T502	S500-T502 VanDerWaalsContact C-N 3.34Å; S500-T502 PolarHBondContact O-N 2.74Å
501	S	36	Very low	43.3	Very low	75 Å²	75	102.4 Å²	102.4	52%	0.524	61%	0.613	S	S	.	*	H	α-helix	trans	-61.7	-28.6	-171.9	48.7	0	0	0	0	115.7	L503 Q504 S505	S501-L503 PolarHBondContact O-N 3.09Å; S501-Q504 PolarHBondContact O-N 3.26Å; S501-S505 PolarHBondContact O-N 2.96Å
502	T	39.3	Very low	44.9	Very low	86 Å²	86	97.1 Å²	97.1	53%	0.528	58%	0.58	S	S	.	*	H	α-helix	trans	-60.9	-49.8	-171.4	-36.9	0	0	0	0	112.3	S500 Q504 S505 A506	S500-T502 VanDerWaalsContact C-N 3.34Å; S500-T502 PolarHBondContact O-N 2.74Å; T502-Q504 VanDerWaalsContact C-N 3.3Å; T502-Q504 PolarHBondContact O-N 3.34Å; T502-S505 PolarHBondContact O-N 3.11Å; T502-S505 PolarHBondContact O-OG 2.8Å; T502-A506 PolarHBondContact O-N 3.26Å
503	L	37.4	Very low	46.9	Very low	151 Å²	151	88.9 Å²	88.9	79%	0.791	54%	0.542	S	S	*	.	H	α-helix	trans	-61.7	-38.5	177.1	-74.9	168.2	0	0	0	112.1	S501 A506 S507	S501-L503 PolarHBondContact O-N 3.09Å; L503-A506 PolarHBondContact O-N 3.01Å; L503-S507 PolarHBondContact O-N 3.44Å
504	Q	43.6	Very low	49	Very low	116 Å²	116	88.9 Å²	88.9	54%	0.542	52%	0.523	S	S	.	.	H	α-helix	trans	-66.9	-47.9	179.5	-159.9	163.1	-2.1	0	0	110.3	S501 T502 A506 S507 E508	S501-Q504 PolarHBondContact O-N 3.26Å; T502-Q504 VanDerWaalsContact C-N 3.3Å; T502-Q504 PolarHBondContact O-N 3.34Å; Q504-A506 VanDerWaalsContact C-N 3.31Å; Q504-A506 PolarHBondContact O-N 2.99Å; Q504-S507 PolarHBondContact O-N 3.3Å; Q504-S507 VanDerWaalsContact O-N 3.12Å; Q504-S507 PolarHBondContact O-OG 2.87Å; Q504-E508 WeakPolarHBondContact O-CG 3.26Å; Q504-E508 PolarHBondContact O-N 2.84Å
505	S	51.6	Low	50.7	Low	27 Å²	27	90.7 Å²	90.7	19%	0.189	52%	0.515	C	S	.	.	H	α-helix	trans	-63	-32.5	177	80.8	0	0	0	0	113.5	K260 S501 T502 E508 N509	K260-S505 PolarHBondContact NZ-OG 2.89Å; S501-S505 PolarHBondContact O-N 2.96Å; T502-S505 PolarHBondContact O-N 3.11Å; T502-S505 PolarHBondContact O-OG 2.8Å; S505-E508 PolarHBondContact O-N 3.11Å; S505-N509 VanDerWaalsContact O-CB 3.24Å; S505-N509 WeakPolarHBondContact O-CB 3.43Å; S505-N509 PolarHBondContact O-N 3.24Å
506	A	55.6	Low	52.5	Low	54 Å²	54	81.9 Å²	81.9	45%	0.446	48%	0.477	S	S	.	.	H	α-helix	trans	-65.4	-41.4	174.3	0	0	0	0	0	111.6	T502 L503 Q504 N509 E510	T502-A506 PolarHBondContact O-N 3.26Å; L503-A506 PolarHBondContact O-N 3.01Å; Q504-A506 VanDerWaalsContact C-N 3.31Å; Q504-A506 PolarHBondContact O-N 2.99Å; A506-N509 PolarHBondContact O-N 3.35Å; A506-E510 PolarHBondContact O-N 3.31Å
507	S	60.8	Low	54.3	Low	66 Å²	66	79.1 Å²	79.1	46%	0.462	46%	0.458	S	S	.	.	H	α-helix	trans	-67.3	-39.2	175.2	74.2	0	0	0	0	112.6	L503 Q504 E510 T511	L503-S507 PolarHBondContact O-N 3.44Å; Q504-S507 PolarHBondContact O-N 3.3Å; Q504-S507 VanDerWaalsContact O-N 3.12Å; Q504-S507 PolarHBondContact O-OG 2.87Å; S507-E510 PolarHBondContact O-N 2.88Å; S507-T511 WeakPolarHBondContact O-CG2 3.35Å; S507-T511 PolarHBondContact O-N 3.46Å; S507-T511 PolarHBondContact O-OG1 3.45Å
508	E	63.8	Low	56.2	Low	104 Å²	104	73.6 Å²	73.6	49%	0.486	42%	0.419	S	S	.	.	H	α-helix	trans	-62.6	-45.6	174.9	-70.9	168.9	-169.7	0	0	110.9	Q504 S505 T511 L512	Q504-E508 WeakPolarHBondContact O-CG 3.26Å; Q504-E508 PolarHBondContact O-N 2.84Å; S505-E508 PolarHBondContact O-N 3.11Å; E508-T511 WeakPolarHBondContact CA-OG1 3.15Å; E508-T511 PolarHBondContact O-N 2.88Å; E508-T511 PolarHBondContact O-OG1 3.2Å; E508-L512 WeakPolarHBondContact O-CB 3.5Å; E508-L512 PolarHBondContact O-N 2.89Å
509	N	67.5	Low	57.8	Low	14 Å²	14	73.4 Å²	73.4	8%	0.075	41%	0.407	C	S	.	.	H	α-helix	trans	-61.4	-43.4	176.1	-87	12.9	0	0	0	112.9	Y253 Q257 S505 A506 L512 L513	Y253-N509 VanDerWaalsContact OH-CB 3.3Å; Y253-N509 WeakPolarHBondContact OH-CB 3.38Å; Y253-N509 PolarHBondContact OH-ND2 2.87Å; Q257-N509 PolarHBondContact OE1-ND2 3.22Å; Q257-N509 VanDerWaalsContact OE1-ND2 3.16Å; S505-N509 VanDerWaalsContact O-CB 3.24Å; S505-N509 WeakPolarHBondContact O-CB 3.43Å; S505-N509 PolarHBondContact O-N 3.24Å; A506-N509 PolarHBondContact O-N 3.35Å; N509-L512 PolarHBondContact O-N 3.38Å; N509-L513 PolarHBondContact O-N 2.91Å
510	E	69.1	Low	59.5	Low	93 Å²	93	73.3 Å²	73.3	44%	0.435	41%	0.407	S	S	.	.	H	α-helix	trans	-60.8	-44.1	170.9	-95.8	-160.7	-138.6	0	0	112.6	A506 S507 L512 L513 K514 Y519	A506-E510 PolarHBondContact O-N 3.31Å; S507-E510 PolarHBondContact O-N 2.88Å; E510-L512 VanDerWaalsContact C-N 3.32Å; E510-L512 PolarHBondContact O-N 2.9Å; E510-L513 PolarHBondContact O-N 3.38Å; E510-K514 WeakPolarHBondContact O-CD 3.36Å; E510-K514 WeakPolarHBondContact O-CG 3.39Å; E510-K514 PolarHBondContact O-N 3.21Å; E510-K514 VanDerWaalsContact O-N 3.09Å; E510-K514 IonicContact OE2-NZ 2.68Å; E510-K514 PolarHBondContact OE2-NZ 3.39Å; E510-Y519 HydrophobicContact CG-CE2 4.32Å
511	T	73.4	Confident	61.2	Low	90 Å²	90	70.2 Å²	70.2	55%	0.552	38%	0.384	S	S	*	.	H	α-helix	trans	-64.2	-39.1	178	57.4	0	0	0	0	111.4	S507 E508 K514 E515	S507-T511 WeakPolarHBondContact O-CG2 3.35Å; S507-T511 PolarHBondContact O-N 3.46Å; S507-T511 PolarHBondContact O-OG1 3.45Å; E508-T511 WeakPolarHBondContact CA-OG1 3.15Å; E508-T511 PolarHBondContact O-N 2.88Å; E508-T511 PolarHBondContact O-OG1 3.2Å; T511-K514 PolarHBondContact O-N 2.71Å; T511-E515 WeakPolarHBondContact O-CB 3.27Å; T511-E515 PolarHBondContact O-N 3.04Å
512	L	67.1	Low	62.8	Low	14 Å²	14	70.7 Å²	70.7	7%	0.073	38%	0.381	C	S	.	.	H	α-helix	trans	-62.3	-47.1	176.7	-178.2	61.6	0	0	0	111.6	L297 K301 E508 N509 E510 K514 E515 L516	L297-L512 HydrophobicContact CD2-CD2 3.79Å; K301-L512 HydrophobicContact CG-CD1 4.12Å; E508-L512 WeakPolarHBondContact O-CB 3.5Å; E508-L512 PolarHBondContact O-N 2.89Å; N509-L512 PolarHBondContact O-N 3.38Å; E510-L512 VanDerWaalsContact C-N 3.32Å; E510-L512 PolarHBondContact O-N 2.9Å; L512-K514 VanDerWaalsContact C-N 3.28Å; L512-K514 PolarHBondContact O-N 2.9Å; L512-E515 PolarHBondContact O-N 3.47Å; L512-L516 HydrophobicContact CD1-CD1 3.88Å; L512-L516 HydrophobicContact CD1-CG 4.2Å; L512-L516 HydrophobicContact CG-CD1 3.74Å; L512-L516 HydrophobicContact CG-CG 4.48Å; L512-L516 WeakPolarHBondContact O-CB 3.46Å; L512-L516 WeakPolarHBondContact O-CD1 3.42Å; L512-L516 WeakPolarHBondContact O-CG 3.23Å; L512-L516 PolarHBondContact O-N 3.43Å
513	L	68.8	Low	64.2	Low	17 Å²	17	70 Å²	70	9%	0.089	37%	0.373	C	S	.	.	H	α-helix	trans	-57.5	-40.1	174.3	-79.2	174.6	0	0	0	112.7	K250 Y253 N509 E510 G517 L518 Y519	K250-L513 HydrophobicContact CD-CD2 4.14Å; Y253-L513 HydrophobicContact CD1-CD1 4.34Å; Y253-L513 HydrophobicContact CD1-CD2 3.73Å; Y253-L513 HydrophobicContact CD1-CG 4.31Å; Y253-L513 HydrophobicContact CD2-CD2 4.2Å; Y253-L513 HydrophobicContact CE1-CD1 3.7Å; Y253-L513 HydrophobicContact CE1-CD2 3.91Å; Y253-L513 HydrophobicContact CE1-CG 3.98Å; Y253-L513 HydrophobicContact CE2-CD2 4.33Å; Y253-L513 HydrophobicContact CE2-CG 4.19Å; Y253-L513 HydrophobicContact CG-CD2 3.92Å; N509-L513 PolarHBondContact O-N 2.91Å; E510-L513 PolarHBondContact O-N 3.38Å; L513-G517 PolarHBondContact O-N 2.87Å; L513-G517 VanDerWaalsContact O-N 3.17Å; L513-L518 HydrophobicContact CD2-CB 3.8Å; L513-L518 PolarHBondContact O-N 2.72Å; L513-Y519 HydrophobicContact CB-CD2 4.27Å; L513-Y519 PolarHBondContact O-N 3.12Å
514	K	74.6	Confident	65.5	Low	101 Å²	101	70.3 Å²	70.3	44%	0.439	38%	0.375	S	S	.	.	H	α-helix	trans	-70	-41.6	176.2	-71	163.1	-178.2	165.3	0	111.4	E510 T511 L512 L516 G517 Y519	E510-K514 WeakPolarHBondContact O-CD 3.36Å; E510-K514 WeakPolarHBondContact O-CG 3.39Å; E510-K514 PolarHBondContact O-N 3.21Å; E510-K514 VanDerWaalsContact O-N 3.09Å; E510-K514 IonicContact OE2-NZ 2.68Å; E510-K514 PolarHBondContact OE2-NZ 3.39Å; T511-K514 PolarHBondContact O-N 2.71Å; L512-K514 VanDerWaalsContact C-N 3.28Å; L512-K514 PolarHBondContact O-N 2.9Å; K514-L516 VanDerWaalsContact C-N 3.27Å; K514-L516 PolarHBondContact O-N 3.36Å; K514-G517 PolarHBondContact O-N 2.99Å; K514-Y519 HydrophobicContact CD-CD2 4.26Å; K514-Y519 HydrophobicContact CD-CE2 4.47Å; K514-Y519 VanDerWaalsContact CE-CD2 3.47Å; K514-Y519 HydrophobicContact CG-CD1 4.47Å; K514-Y519 HydrophobicContact CG-CD2 3.8Å; K514-Y519 HydrophobicContact CG-CE2 4.48Å; K514-Y519 HydrophobicContact CG-CG 3.79Å
515	E	67	Low	66.2	Low	136 Å²	136	66.7 Å²	66.7	64%	0.636	36%	0.363	S	S	*	.	H	α-helix	trans	-65.9	-28.9	177.4	-136.7	-150.2	129.9	0	0	112.5	K304 T511 L512	K304-E515 WeakPolarHBondContact CE-O 3.34Å; K304-E515 VanDerWaalsContact NZ-C 3.34Å; K304-E515 PolarHBondContact NZ-O 3.33Å; K304-E515 IonicContact NZ-OE1 2.82Å; K304-E515 PolarHBondContact NZ-OE1 2.98Å; K304-E515 IonicContact NZ-OE2 3.97Å; T511-E515 WeakPolarHBondContact O-CB 3.27Å; T511-E515 PolarHBondContact O-N 3.04Å; L512-E515 PolarHBondContact O-N 3.47Å
516	L	65.3	Low	65.9	Low	21 Å²	21	70.6 Å²	70.6	11%	0.11	38%	0.381	C	S	.	.	H	α-helix	trans	-86	-15.9	176.9	-68.3	161.9	0	0	0	113.5	I300 K304 L512 K514 L518	I300-L516 HydrophobicContact CG2-CD1 3.35Å; I300-L516 HydrophobicContact CG2-CD2 3.89Å; I300-L516 HydrophobicContact CG2-CG 4.29Å; K304-L516 HydrophobicContact CB-CD2 3.66Å; K304-L516 HydrophobicContact CD-CD2 3.78Å; K304-L516 HydrophobicContact CG-CD2 3.85Å; L512-L516 HydrophobicContact CD1-CD1 3.88Å; L512-L516 HydrophobicContact CD1-CG 4.2Å; L512-L516 HydrophobicContact CG-CD1 3.74Å; L512-L516 HydrophobicContact CG-CG 4.48Å; L512-L516 WeakPolarHBondContact O-CB 3.46Å; L512-L516 WeakPolarHBondContact O-CD1 3.42Å; L512-L516 WeakPolarHBondContact O-CG 3.23Å; L512-L516 PolarHBondContact O-N 3.43Å; K514-L516 VanDerWaalsContact C-N 3.27Å; K514-L516 PolarHBondContact O-N 3.36Å; L516-L518 VanDerWaalsContact C-N 3.34Å; L516-L518 HydrophobicContact CB-CB 4.35Å; L516-L518 HydrophobicContact CB-CD1 3.84Å; L516-L518 HydrophobicContact CB-CG 3.74Å; L516-L518 HydrophobicContact CD1-CD1 3.92Å; L516-L518 HydrophobicContact CG-CD1 4.42Å
517	G	67.1	Low	65.5	Low	34 Å²	34	71 Å²	71	35%	0.351	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	27.9	-170.9	0	0	0	0	0	113.8	L513 K514	L513-G517 PolarHBondContact O-N 2.87Å; L513-G517 VanDerWaalsContact O-N 3.17Å; K514-G517 PolarHBondContact O-N 2.99Å
518	L	71.6	Confident	64.5	Low	0 Å²	0	74.2 Å²	74.2	0%	0	39%	0.387	C	S	.	.			trans	-104.2	-7	-179.8	-60.1	179	0	0	0	113.4	R246 L249 K250 L513 L516 V521	R246-L518 HydrophobicContact CB-CD2 3.88Å; R246-L518 HydrophobicContact CG-CD2 4.1Å; R246-L518 VanDerWaalsContact O-CD2 3.31Å; R246-L518 WeakPolarHBondContact O-CD2 3.35Å; L249-L518 HydrophobicContact CB-CD1 3.66Å; L249-L518 HydrophobicContact CB-CD2 4.29Å; L249-L518 HydrophobicContact CD1-CD1 4.4Å; K250-L518 PolarHBondContact NZ-O 3.25Å; L513-L518 HydrophobicContact CD2-CB 3.8Å; L513-L518 PolarHBondContact O-N 2.72Å; L516-L518 VanDerWaalsContact C-N 3.34Å; L516-L518 HydrophobicContact CB-CB 4.35Å; L516-L518 HydrophobicContact CB-CD1 3.84Å; L516-L518 HydrophobicContact CB-CG 3.74Å; L516-L518 HydrophobicContact CD1-CD1 3.92Å; L516-L518 HydrophobicContact CG-CD1 4.42Å; L518-V521 HydrophobicContact CD2-CG2 4.25Å; L518-V521 PolarHBondContact O-N 3.25Å
519	Y	66.8	Low	63.2	Low	107 Å²	107	73.9 Å²	73.9	42%	0.42	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-50.3	179.7	-170.2	-96.9	0	0	0	111.6	E510 L513 K514 V521	E510-Y519 HydrophobicContact CG-CE2 4.32Å; L513-Y519 HydrophobicContact CB-CD2 4.27Å; L513-Y519 PolarHBondContact O-N 3.12Å; K514-Y519 HydrophobicContact CD-CD2 4.26Å; K514-Y519 HydrophobicContact CD-CE2 4.47Å; K514-Y519 VanDerWaalsContact CE-CD2 3.47Å; K514-Y519 HydrophobicContact CG-CD1 4.47Å; K514-Y519 HydrophobicContact CG-CD2 3.8Å; K514-Y519 HydrophobicContact CG-CE2 4.48Å; K514-Y519 HydrophobicContact CG-CG 3.79Å; Y519-V521 VanDerWaalsContact C-N 3.27Å; Y519-V521 PolarHBondContact O-N 3.49Å
520	D	69.7	Low	61.7	Low	144 Å²	144	77.4 Å²	77.4	77%	0.77	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	4.6	-178.4	-48.6	-60.3	0	0	0	114.2	D522	D520-D522 PolarHBondContact O-N 2.82Å
521	V	69.4	Low	60.2	Low	24 Å²	24	77.7 Å²	77.7	15%	0.145	42%	0.422	C	S	.	.			trans	-81.3	102.1	179.8	177.7	0	0	0	0	109.8	R246 R247 K250 L518 Y519 L523	R246-V521 HydrophobicContact CB-CG2 4.48Å; R247-V521 HydrophobicContact CG-CG1 4.08Å; K250-V521 HydrophobicContact CB-CB 4.25Å; K250-V521 HydrophobicContact CB-CG1 3.93Å; K250-V521 HydrophobicContact CG-CB 4.15Å; K250-V521 HydrophobicContact CG-CG1 4.05Å; K250-V521 PolarHBondContact NZ-O 2.72Å; L518-V521 HydrophobicContact CD2-CG2 4.25Å; L518-V521 PolarHBondContact O-N 3.25Å; Y519-V521 VanDerWaalsContact C-N 3.27Å; Y519-V521 PolarHBondContact O-N 3.49Å; V521-L523 HydrophobicContact CG1-CD2 4.35Å
522	D	70.4	Confident	58	Low	85 Å²	85	79 Å²	79	46%	0.455	43%	0.426	S	S	.	.			trans	-83.7	113.7	170.8	176.4	20.4	0	0	0	111	D520 L524 S525	D520-D522 PolarHBondContact O-N 2.82Å; D522-L524 VanDerWaalsContact C-N 3.3Å; D522-L524 WeakPolarHBondContact OD1-CB 3.5Å; D522-L524 PolarHBondContact OD1-N 3.5Å; D522-S525 WeakPolarHBondContact O-CB 2.99Å; D522-S525 PolarHBondContact O-N 3.44Å; D522-S525 PolarHBondContact O-OG 2.77Å; D522-S525 PolarHBondContact OD2-N 3.12Å
523	L	68.1	Low	56.3	Low	71 Å²	71	86.6 Å²	86.6	37%	0.372	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-21.6	176.9	-62.8	178.8	0	0	0	113.1	R247 K250 A251 D254 V521 S525	R247-L523 HydrophobicContact CB-CD2 4.3Å; R247-L523 WeakPolarHBondContact O-CD2 3.39Å; K250-L523 HydrophobicContact CB-CD2 4.15Å; K250-L523 HydrophobicContact CG-CD1 4.15Å; K250-L523 HydrophobicContact CG-CD2 4.03Å; K250-L523 HydrophobicContact CG-CG 3.98Å; A251-L523 HydrophobicContact CB-CD1 3.91Å; A251-L523 HydrophobicContact CB-CD2 4.32Å; D254-L523 WeakPolarHBondContact OD2-CD1 3.46Å; V521-L523 HydrophobicContact CG1-CD2 4.35Å; L523-S525 VanDerWaalsContact C-N 3.28Å
524	L	65.4	Low	54.4	Low	159 Å²	159	94.5 Å²	94.5	83%	0.832	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-8.5	176.3	-56.8	177.3	0	0	0	112.2	D522 N526	D522-L524 VanDerWaalsContact C-N 3.3Å; D522-L524 WeakPolarHBondContact OD1-CB 3.5Å; D522-L524 PolarHBondContact OD1-N 3.5Å; L524-N526 PolarHBondContact O-N 3.18Å
525	S	56.8	Low	52.3	Low	40 Å²	40	97.2 Å²	97.2	28%	0.28	51%	0.514	S	S	.	.	S	Bend	trans	-69.4	101.5	173.4	72.4	0	0	0	0	110.6	R247 D522 L523	R247-S525 PolarHBondContact NH1-O 3.39Å; R247-S525 PolarHBondContact NH1-OG 2.97Å; R247-S525 PolarHBondContact NH2-OG 3.09Å; R247-S525 VanDerWaalsContact NH2-OG 3.09Å; D522-S525 WeakPolarHBondContact O-CB 2.99Å; D522-S525 PolarHBondContact O-N 3.44Å; D522-S525 PolarHBondContact O-OG 2.77Å; D522-S525 PolarHBondContact OD2-N 3.12Å; L523-S525 VanDerWaalsContact C-N 3.28Å
526	N	45.3	Very low	50.6	Low	108 Å²	108	95.6 Å²	95.6	58%	0.578	52%	0.518	S	S	*	.			trans	-55.8	125.1	179.5	-163.8	30.7	0	0	0	110.4	L524 Q528	L524-N526 PolarHBondContact O-N 3.18Å; N526-Q528 PolarHBondContact O-N 3.24Å
527	P	48.2	Very low	49.4	Very low	63 Å²	63	102.3 Å²	102.3	41%	0.409	55%	0.552	S	S	.	*	S	Bend	trans	-67.6	-1	-164.3	23.7	-34.7	0	0	0	116.6	T529	P527-T529 PolarHBondContact O-N 3.18Å
528	Q	39.1	Very low	47.6	Very low	134 Å²	134	104.9 Å²	104.9	63%	0.626	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	12.9	-178.8	-62.4	-167.2	-28.2	0	0	115.6	N526	N526-Q528 PolarHBondContact O-N 3.24Å
529	T	36.3	Very low	45.8	Very low	97 Å²	97	109.7 Å²	109.7	60%	0.595	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-8.7	-175.1	46.6	0	0	0	0	114.8	P527	P527-T529 PolarHBondContact O-N 3.18Å
530	I	36.9	Very low	44.1	Very low	88 Å²	88	113.3 Å²	113.3	45%	0.451	63%	0.631	S	S	.	*	S	Bend	trans	-74.1	-40.2	172.5	-62.9	-178.8	0	0	0	111.3	L236 N532	L236-I530 HydrophobicContact CD1-CG2 4.27Å; I530-N532 VanDerWaalsContact C-N 3.31Å; I530-N532 PolarHBondContact O-N 3.21Å
531	S	37	Very low	42.3	Very low	98 Å²	98	112.7 Å²	112.7	69%	0.685	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	16.8	-168.6	-53.9	0	0	0	0	116
532	N	27.3	Very low	40.7	Very low	118 Å²	118	119.2 Å²	119.2	63%	0.631	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.3	12.7	-176.4	-97.1	-65.7	0	0	0	116.2	I530 K534	I530-N532 VanDerWaalsContact C-N 3.31Å; I530-N532 PolarHBondContact O-N 3.21Å; N532-K534 PolarHBondContact O-N 3.16Å
533	Q	30.7	Very low	39	Very low	174 Å²	174	118.2 Å²	118.2	81%	0.813	67%	0.671	S	S	*	*			trans	-75.5	108.4	159.9	-72.3	-162.3	-10.9	0	0	109.6	D535	Q533-D535 VanDerWaalsContact C-N 3.29Å; Q533-D535 PolarHBondContact O-N 3.48Å
534	K	29.8	Very low	37.5	Very low	183 Å²	183	123.3 Å²	123.3	80%	0.796	69%	0.687	S	S	*	*			trans	-79.9	64.7	-173.8	-67	179.2	177.3	175.4	0	113.3	N532 S536	N532-K534 PolarHBondContact O-N 3.16Å; K534-S536 PolarHBondContact O-N 3.2Å
535	D	30.9	Very low	36.4	Very low	157 Å²	157	119.4 Å²	119.4	84%	0.84	67%	0.667	S	S	*	*			trans	-89.3	87	156.4	-85	-44	0	0	0	109	Q533 I537	Q533-D535 VanDerWaalsContact C-N 3.29Å; Q533-D535 PolarHBondContact O-N 3.48Å; D535-I537 PolarHBondContact O-N 3.38Å
536	S	31.3	Very low	35.8	Very low	102 Å²	102	119.7 Å²	119.7	71%	0.713	66%	0.663	S	S	*	*			trans	-71.6	114.5	-175.7	53.4	0	0	0	0	112.2	K534	K534-S536 PolarHBondContact O-N 3.2Å
537	I	38.4	Very low	35.6	Very low	162 Å²	162	117.9 Å²	117.9	83%	0.831	65%	0.653	S	S	*	*	S	Bend	trans	-179.8	-27.8	136.8	-94.9	153.4	0	0	0	111.7	D535 A539	D535-I537 PolarHBondContact O-N 3.38Å; I537-A539 PolarHBondContact O-N 2.86Å; I537-A539 VanDerWaalsContact O-N 3.09Å
538	A	31.1	Very low	35.3	Very low	88 Å²	88	118.7 Å²	118.7	73%	0.727	65%	0.654	S	S	*	*			trans	-69.3	-5.6	-172.5	0	0	0	0	0	116.6	Q540	A538-Q540 PolarHBondContact O-N 3.11Å
539	A	33.5	Very low	35.4	Very low	102 Å²	102	119 Å²	119	84%	0.843	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	38.9	-170.8	0	0	0	0	0	115.3	I537	I537-A539 PolarHBondContact O-N 2.86Å; I537-A539 VanDerWaalsContact O-N 3.09Å
540	Q	30.4	Very low	35.6	Very low	183 Å²	183	117.8 Å²	117.8	86%	0.855	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.5	-7.9	175.1	-70.9	-164	-32.9	0	0	114.9	A538	A538-Q540 PolarHBondContact O-N 3.11Å
541	N	32.6	Very low	35.6	Very low	131 Å²	131	118.1 Å²	118.1	70%	0.701	65%	0.646	S	S	*	*	S	Bend	trans	-107.9	128.1	170.9	-71.8	8.9	0	0	0	109.2	G543	N541-G543 PolarHBondContact O-N 3Å
542	D	35.9	Very low	35.6	Very low	161 Å²	161	120.1 Å²	120.1	86%	0.861	64%	0.644	S	S	*	*			trans	-27.6	85.8	-177.8	-59.9	-46	0	0	0	115.7	Y544	D542-Y544 PolarHBondContact O-N 3.35Å
543	G	33.4	Very low	36	Very low	64 Å²	64	116.6 Å²	116.6	66%	0.66	63%	0.632	S	S	*	*			trans	-70.4	126	178.2	0	0	0	0	0	111	N541 D545	N541-G543 PolarHBondContact O-N 3Å; G543-D545 PolarHBondContact O-N 2.85Å
544	Y	36.4	Very low	36.1	Very low	178 Å²	178	111.1 Å²	111.1	70%	0.698	61%	0.61	S	S	*	*			trans	-68.1	74.1	175.2	-77	-92.3	0	0	0	111.7	L236 D542 F546	L236-Y544 VanDerWaalsContact CD2-O 3.31Å; L236-Y544 WeakPolarHBondContact CD2-O 3.46Å; D542-Y544 PolarHBondContact O-N 3.35Å; Y544-F546 PolarHBondContact O-N 3.27Å
545	D	42.3	Very low	36.5	Very low	76 Å²	76	107.1 Å²	107.1	41%	0.406	61%	0.611	S	S	.	*			trans	-65.4	116.5	171.8	177	7.8	0	0	0	109.7	G543 D547 L548 F549	G543-D545 PolarHBondContact O-N 2.85Å; D545-D547 VanDerWaalsContact C-N 3.34Å; D545-D547 WeakPolarHBondContact OD1-CA 3.41Å; D545-D547 WeakPolarHBondContact OD1-CB 3.5Å; D545-D547 PolarHBondContact OD1-N 3.03Å; D545-L548 HydrophobicContact CB-CB 3.63Å; D545-L548 VanDerWaalsContact CG-N 3.3Å; D545-L548 WeakPolarHBondContact O-CB 3.36Å; D545-L548 PolarHBondContact O-N 3.41Å; D545-L548 PolarHBondContact OD1-N 3.02Å; D545-L548 WeakPolarHBondContact OD2-CB 3.43Å; D545-L548 PolarHBondContact OD2-N 2.94Å; D545-F549 PolarHBondContact O-N 2.92Å
546	F	45	Very low	36.9	Very low	47 Å²	47	103.1 Å²	103.1	21%	0.206	60%	0.6	C	S	.	*	H	α-helix	trans	-71.5	-30.8	179.6	-172.4	-102.7	0	0	0	111.7	M237 Y544 L548 F549 L550	M237-F546 HydrophobicContact CG-CE2 4.36Å; Y544-F546 PolarHBondContact O-N 3.27Å; F546-L548 VanDerWaalsContact C-N 3.32Å; F546-F549 HydrophobicContact CD2-CD1 4.49Å; F546-F549 HydrophobicContact CE2-CD1 4.37Å; F546-F549 PolarHBondContact O-N 3.45Å; F546-L550 HydrophobicContact CD1-CD1 4.04Å; F546-L550 HydrophobicContact CD1-CG 4.44Å; F546-L550 HydrophobicContact CE1-CD1 3.74Å; F546-L550 HydrophobicContact CE1-CG 4.19Å; F546-L550 HydrophobicContact CZ-CD1 4.46Å; F546-L550 WeakPolarHBondContact O-CG 3.41Å; F546-L550 PolarHBondContact O-N 3.32Å
547	D	40.5	Very low	37.3	Very low	69 Å²	69	100.6 Å²	100.6	37%	0.369	58%	0.58	S	S	.	*	H	α-helix	trans	-68.5	-35.8	169.9	-74	-16.1	0	0	0	109.5	D545 L550 N551	D545-D547 VanDerWaalsContact C-N 3.34Å; D545-D547 WeakPolarHBondContact OD1-CA 3.41Å; D545-D547 WeakPolarHBondContact OD1-CB 3.5Å; D545-D547 PolarHBondContact OD1-N 3.03Å; D547-L550 PolarHBondContact O-N 3.34Å; D547-N551 WeakPolarHBondContact O-CB 3.45Å; D547-N551 VanDerWaalsContact O-CG 3.28Å; D547-N551 PolarHBondContact O-N 2.97Å; D547-N551 PolarHBondContact O-ND2 3.17Å
548	L	42.1	Very low	37.7	Very low	80 Å²	80	96 Å²	96	42%	0.419	56%	0.56	S	S	.	*	H	α-helix	trans	-66.9	-36.8	172	-174.5	62.3	0	0	0	112.5	D545 F546 N551 Q552	D545-L548 HydrophobicContact CB-CB 3.63Å; D545-L548 VanDerWaalsContact CG-N 3.3Å; D545-L548 WeakPolarHBondContact O-CB 3.36Å; D545-L548 PolarHBondContact O-N 3.41Å; D545-L548 PolarHBondContact OD1-N 3.02Å; D545-L548 WeakPolarHBondContact OD2-CB 3.43Å; D545-L548 PolarHBondContact OD2-N 2.94Å; F546-L548 VanDerWaalsContact C-N 3.32Å; L548-N551 PolarHBondContact O-N 2.73Å; L548-Q552 HydrophobicContact CD1-CG 4.05Å; L548-Q552 HydrophobicContact CG-CG 4.28Å; L548-Q552 WeakPolarHBondContact O-CB 3.33Å; L548-Q552 WeakPolarHBondContact O-CG 3.44Å; L548-Q552 PolarHBondContact O-N 3.39Å
549	F	40.7	Very low	38.6	Very low	142 Å²	142	94.9 Å²	94.9	62%	0.623	55%	0.547	S	S	*	.	H	α-helix	trans	-62.1	-48.1	174.2	175.9	-103	0	0	0	111.4	D545 F546 A553	D545-F549 PolarHBondContact O-N 2.92Å; F546-F549 HydrophobicContact CD2-CD1 4.49Å; F546-F549 HydrophobicContact CE2-CD1 4.37Å; F546-F549 PolarHBondContact O-N 3.45Å; F549-A553 PolarHBondContact O-N 2.71Å; F549-A553 VanDerWaalsContact O-N 3.14Å
550	L	40.8	Very low	39.5	Very low	70 Å²	70	95.3 Å²	95.3	37%	0.366	53%	0.534	S	S	.	.	H	α-helix	trans	-62.4	-43.8	173.6	-67.8	176.4	0	0	0	111.5	F546 D547 A553 T554	F546-L550 HydrophobicContact CD1-CD1 4.04Å; F546-L550 HydrophobicContact CD1-CG 4.44Å; F546-L550 HydrophobicContact CE1-CD1 3.74Å; F546-L550 HydrophobicContact CE1-CG 4.19Å; F546-L550 HydrophobicContact CZ-CD1 4.46Å; F546-L550 WeakPolarHBondContact O-CG 3.41Å; F546-L550 PolarHBondContact O-N 3.32Å; D547-L550 PolarHBondContact O-N 3.34Å; L550-A553 CarbonylContact O-C 3.58Å; L550-A553 WeakPolarHBondContact O-CA 3.14Å; L550-A553 WeakPolarHBondContact O-CB 3.44Å; L550-A553 PolarHBondContact O-N 3.07Å; L550-A553 VanDerWaalsContact O-N 3.12Å; L550-T554 PolarHBondContact O-N 2.69Å; L550-T554 VanDerWaalsContact O-N 3.14Å
551	N	38.2	Very low	40.4	Very low	96 Å²	96	92.4 Å²	92.4	51%	0.513	52%	0.52	S	S	.	.	H	α-helix	trans	-69.4	-32.5	-179.4	-78.8	-63.2	0	0	0	113.4	D547 L548 A553 T554	D547-N551 WeakPolarHBondContact O-CB 3.45Å; D547-N551 VanDerWaalsContact O-CG 3.28Å; D547-N551 PolarHBondContact O-N 2.97Å; D547-N551 PolarHBondContact O-ND2 3.17Å; L548-N551 PolarHBondContact O-N 2.73Å; N551-A553 VanDerWaalsContact C-N 3.3Å; N551-T554 WeakPolarHBondContact O-CB 3.45Å; N551-T554 PolarHBondContact O-N 2.74Å; N551-T554 PolarHBondContact O-OG1 2.79Å
552	Q	36.9	Very low	41.3	Very low	139 Å²	139	93.8 Å²	93.8	65%	0.65	52%	0.516	S	S	*	.	H	α-helix	trans	-70.3	-29.4	170.4	-73.3	-176	14.6	0	0	111.7	L548 T554	L548-Q552 HydrophobicContact CD1-CG 4.05Å; L548-Q552 HydrophobicContact CG-CG 4.28Å; L548-Q552 WeakPolarHBondContact O-CB 3.33Å; L548-Q552 WeakPolarHBondContact O-CG 3.44Å; L548-Q552 PolarHBondContact O-N 3.39Å; Q552-T554 VanDerWaalsContact C-N 3.28Å; Q552-T554 PolarHBondContact O-N 3.2Å
553	A	34.8	Very low	42.7	Very low	45 Å²	45	89.9 Å²	89.9	37%	0.372	50%	0.495	S	S	.	.	H	α-helix	trans	-73.8	-10.5	170.2	0	0	0	0	0	114	F549 L550 N551 A555 A556 T557	F549-A553 PolarHBondContact O-N 2.71Å; F549-A553 VanDerWaalsContact O-N 3.14Å; L550-A553 CarbonylContact O-C 3.58Å; L550-A553 WeakPolarHBondContact O-CA 3.14Å; L550-A553 WeakPolarHBondContact O-CB 3.44Å; L550-A553 PolarHBondContact O-N 3.07Å; L550-A553 VanDerWaalsContact O-N 3.12Å; N551-A553 VanDerWaalsContact C-N 3.3Å; A553-A555 PolarHBondContact O-N 3.46Å; A553-A556 PolarHBondContact O-N 3.41Å; A553-T557 PolarHBondContact O-N 3.22Å
554	T	32.9	Very low	43.7	Very low	59 Å²	59	91.6 Å²	91.6	36%	0.362	49%	0.489	S	S	.	.	H	α-helix	trans	-63.4	-16.1	-179	61.1	0	0	0	0	114.7	L550 N551 Q552 A556 T557	L550-T554 PolarHBondContact O-N 2.69Å; L550-T554 VanDerWaalsContact O-N 3.14Å; N551-T554 WeakPolarHBondContact O-CB 3.45Å; N551-T554 PolarHBondContact O-N 2.74Å; N551-T554 PolarHBondContact O-OG1 2.79Å; Q552-T554 VanDerWaalsContact C-N 3.28Å; Q552-T554 PolarHBondContact O-N 3.2Å; T554-A556 PolarHBondContact O-N 3.23Å; T554-T557 WeakPolarHBondContact CA-OG1 3.4Å; T554-T557 PolarHBondContact O-N 2.74Å
555	A	39.1	Very low	44.8	Very low	99 Å²	99	90 Å²	90	82%	0.818	49%	0.489	S	S	*	.	H	α-helix	trans	-54.4	-24.1	166.9	0	0	0	0	0	112.9	A553	A553-A555 PolarHBondContact O-N 3.46Å
556	A	37.8	Very low	45.8	Very low	73 Å²	73	88.8 Å²	88.8	60%	0.603	49%	0.487	S	S	*	.	H	α-helix	trans	-105.6	-31.7	174.2	0	0	0	0	0	114.3	A553 T554 T558 S559	A553-A556 PolarHBondContact O-N 3.41Å; T554-A556 PolarHBondContact O-N 3.23Å; A556-T558 PolarHBondContact O-N 3.2Å; A556-T558 VanDerWaalsContact O-N 3.15Å; A556-S559 PolarHBondContact O-N 2.94Å
557	T	39.9	Very low	46.7	Very low	49 Å²	49	89.6 Å²	89.6	30%	0.301	50%	0.498	S	S	.	.	H	α-helix	trans	-65.3	-21.8	-171.8	66	0	0	0	0	114.1	A553 T554 S559 L560 E561	A553-T557 PolarHBondContact O-N 3.22Å; T554-T557 WeakPolarHBondContact CA-OG1 3.4Å; T554-T557 PolarHBondContact O-N 2.74Å; T557-S559 CarbonylContact O-C 3.52Å; T557-S559 PolarHBondContact O-N 3.06Å; T557-S559 VanDerWaalsContact O-N 3.09Å; T557-L560 PolarHBondContact O-N 3.02Å; T557-E561 PolarHBondContact O-N 3.39Å
558	T	47.3	Very low	47.4	Very low	65 Å²	65	90.8 Å²	90.8	40%	0.399	51%	0.505	S	S	.	.	H	α-helix	trans	-65.7	-10.9	177.3	79.6	0	0	0	0	113.8	A556 R562	A556-T558 PolarHBondContact O-N 3.2Å; A556-T558 VanDerWaalsContact O-N 3.15Å; T558-R562 VanDerWaalsContact CB-NH1 3.3Å; T558-R562 VanDerWaalsContact O-CG 3.26Å; T558-R562 WeakPolarHBondContact O-CG 3.48Å; T558-R562 PolarHBondContact O-NH1 3.46Å; T558-R562 PolarHBondContact OG1-NH1 3.35Å
559	S	49.6	Very low	48.2	Very low	65 Å²	65	89.7 Å²	89.7	46%	0.455	51%	0.507	S	S	.	.	H	α-helix	trans	-70.4	-67.5	160.2	-163.2	0	0	0	0	109	A556 T557 E561 R562 D563	A556-S559 PolarHBondContact O-N 2.94Å; T557-S559 CarbonylContact O-C 3.52Å; T557-S559 PolarHBondContact O-N 3.06Å; T557-S559 VanDerWaalsContact O-N 3.09Å; S559-E561 VanDerWaalsContact C-N 3.28Å; S559-E561 PolarHBondContact O-N 3.13Å; S559-E561 VanDerWaalsContact O-N 3.1Å; S559-R562 CarbonylContact O-C 3.6Å; S559-R562 WeakPolarHBondContact O-CA 3.31Å; S559-R562 WeakPolarHBondContact O-CB 3.32Å; S559-R562 PolarHBondContact O-N 2.97Å; S559-D563 WeakPolarHBondContact CB-OD2 3.41Å; S559-D563 PolarHBondContact O-N 2.99Å; S559-D563 PolarHBondContact OG-OD2 3.27Å
560	L	52.1	Low	49.3	Very low	111 Å²	111	88.8 Å²	88.8	58%	0.581	51%	0.505	S	S	*	.	H	α-helix	trans	-57.2	-34.8	-170.7	-174.1	65.4	0	0	0	114.1	T557 D563 L564	T557-L560 PolarHBondContact O-N 3.02Å; L560-D563 PolarHBondContact N-OD2 2.98Å; L560-D563 PolarHBondContact O-N 2.81Å; L560-L564 HydrophobicContact CD1-CD1 4.44Å; L560-L564 HydrophobicContact CD1-CG 4.47Å; L560-L564 HydrophobicContact CG-CD1 4.17Å; L560-L564 WeakPolarHBondContact O-CB 3.44Å; L560-L564 WeakPolarHBondContact O-CG 3.4Å; L560-L564 PolarHBondContact O-N 2.88Å
561	E	49.4	Very low	50	Low	121 Å²	121	89.7 Å²	89.7	57%	0.565	51%	0.507	S	S	*	.	H	α-helix	trans	-67.1	-40.6	171.3	-77.8	-175.7	121.2	0	0	112.7	T557 S559 M565	T557-E561 PolarHBondContact O-N 3.39Å; S559-E561 VanDerWaalsContact C-N 3.28Å; S559-E561 PolarHBondContact O-N 3.13Å; S559-E561 VanDerWaalsContact O-N 3.1Å; E561-M565 VanDerWaalsContact O-CB 3.25Å; E561-M565 WeakPolarHBondContact O-CB 3.39Å; E561-M565 WeakPolarHBondContact O-CG 3.46Å; E561-M565 PolarHBondContact O-N 3.1Å
562	R	52.3	Low	50.5	Low	160 Å²	160	90.6 Å²	90.6	60%	0.604	51%	0.51	S	S	*	.	H	α-helix	trans	-66.5	-40.1	172.6	-74.7	-175.8	-169	96.9	-0.2	111.8	T558 S559 M565 S566	T558-R562 VanDerWaalsContact CB-NH1 3.3Å; T558-R562 VanDerWaalsContact O-CG 3.26Å; T558-R562 WeakPolarHBondContact O-CG 3.48Å; T558-R562 PolarHBondContact O-NH1 3.46Å; T558-R562 PolarHBondContact OG1-NH1 3.35Å; S559-R562 CarbonylContact O-C 3.6Å; S559-R562 WeakPolarHBondContact O-CA 3.31Å; S559-R562 WeakPolarHBondContact O-CB 3.32Å; S559-R562 PolarHBondContact O-N 2.97Å; R562-M565 CarbonylContact O-C 3.57Å; R562-M565 PolarHBondContact O-N 3.16Å; R562-S566 WeakPolarHBondContact O-CB 3.39Å; R562-S566 PolarHBondContact O-N 3.23Å; R562-S566 PolarHBondContact O-OG 3.18Å
563	D	64.4	Low	51.3	Low	80 Å²	80	88.1 Å²	88.1	43%	0.428	50%	0.501	S	S	.	.	H	α-helix	trans	-68.2	-37.5	-177.5	-54.8	-37.9	0	0	0	110.7	S559 L560 S566 S567	S559-D563 WeakPolarHBondContact CB-OD2 3.41Å; S559-D563 PolarHBondContact O-N 2.99Å; S559-D563 PolarHBondContact OG-OD2 3.27Å; L560-D563 PolarHBondContact N-OD2 2.98Å; L560-D563 PolarHBondContact O-N 2.81Å; D563-S566 PolarHBondContact O-OG 3.36Å; D563-S566 VanDerWaalsContact O-OG 3.09Å; D563-S567 WeakPolarHBondContact O-CB 3.36Å; D563-S567 PolarHBondContact O-N 3.4Å
564	L	54.8	Low	52.3	Low	100 Å²	100	91.4 Å²	91.4	52%	0.524	51%	0.511	S	S	.	.	H	α-helix	trans	-70.7	-42.7	169.8	-75.3	167.8	0	0	0	112.2	L560 S566 S567 N568	L560-L564 HydrophobicContact CD1-CD1 4.44Å; L560-L564 HydrophobicContact CD1-CG 4.47Å; L560-L564 HydrophobicContact CG-CD1 4.17Å; L560-L564 WeakPolarHBondContact O-CB 3.44Å; L560-L564 WeakPolarHBondContact O-CG 3.4Å; L560-L564 PolarHBondContact O-N 2.88Å; L564-S566 VanDerWaalsContact C-N 3.33Å; L564-S566 PolarHBondContact O-N 2.7Å; L564-S567 PolarHBondContact O-N 3.5Å; L564-N568 WeakPolarHBondContact O-CB 3.46Å; L564-N568 PolarHBondContact O-N 3.42Å; L564-N568 PolarHBondContact O-OD1 3.26Å
565	M	59.2	Low	52.7	Low	143 Å²	143	92.7 Å²	92.7	70%	0.704	52%	0.516	S	S	*	.	H	α-helix	trans	-68.2	-30.5	177.6	-72.9	-176.7	82.7	0	0	112.8	E561 R562 A569	E561-M565 VanDerWaalsContact O-CB 3.25Å; E561-M565 WeakPolarHBondContact O-CB 3.39Å; E561-M565 WeakPolarHBondContact O-CG 3.46Å; E561-M565 PolarHBondContact O-N 3.1Å; R562-M565 CarbonylContact O-C 3.57Å; R562-M565 PolarHBondContact O-N 3.16Å; M565-A569 WeakPolarHBondContact O-CB 3.43Å; M565-A569 PolarHBondContact O-N 3.35Å
566	S	63.5	Low	53	Low	51 Å²	51	94.5 Å²	94.5	36%	0.357	51%	0.511	S	S	.	.	H	α-helix	trans	-73.9	-43.3	172.1	66.1	0	0	0	0	110.9	R562 D563 L564 N568 A569 E570	R562-S566 WeakPolarHBondContact O-CB 3.39Å; R562-S566 PolarHBondContact O-N 3.23Å; R562-S566 PolarHBondContact O-OG 3.18Å; D563-S566 PolarHBondContact O-OG 3.36Å; D563-S566 VanDerWaalsContact O-OG 3.09Å; L564-S566 VanDerWaalsContact C-N 3.33Å; L564-S566 PolarHBondContact O-N 2.7Å; S566-N568 VanDerWaalsContact C-N 3.34Å; S566-N568 PolarHBondContact O-N 2.86Å; S566-A569 CarbonylContact O-C 3.56Å; S566-A569 PolarHBondContact O-N 2.93Å; S566-A569 VanDerWaalsContact O-N 3.08Å; S566-E570 WeakPolarHBondContact O-CB 3.32Å; S566-E570 WeakPolarHBondContact O-CG 3.43Å; S566-E570 PolarHBondContact O-N 3.37Å
567	S	64.9	Low	53	Low	64 Å²	64	98.6 Å²	98.6	45%	0.448	52%	0.518	S	S	.	.	H	α-helix	trans	-59.5	-43.2	174.6	-170.7	0	0	0	0	112.2	D563 L564 A569 E570 E571	D563-S567 WeakPolarHBondContact O-CB 3.36Å; D563-S567 PolarHBondContact O-N 3.4Å; L564-S567 PolarHBondContact O-N 3.5Å; S567-A569 VanDerWaalsContact C-N 3.34Å; S567-E570 PolarHBondContact O-N 3.05Å; S567-E571 WeakPolarHBondContact O-CB 3.06Å; S567-E571 PolarHBondContact O-N 2.8Å
568	N	54.9	Low	53.6	Low	95 Å²	95	101.1 Å²	101.1	51%	0.508	53%	0.528	S	S	.	.	H	α-helix	trans	-69.8	-28.8	174.7	-82.4	51	0	0	0	112.8	L564 S566 M572	L564-N568 WeakPolarHBondContact O-CB 3.46Å; L564-N568 PolarHBondContact O-N 3.42Å; L564-N568 PolarHBondContact O-OD1 3.26Å; S566-N568 VanDerWaalsContact C-N 3.34Å; S566-N568 PolarHBondContact O-N 2.86Å; N568-M572 VanDerWaalsContact O-CB 3.28Å; N568-M572 WeakPolarHBondContact O-CB 3.42Å; N568-M572 PolarHBondContact O-N 2.88Å
569	A	58.1	Low	53.9	Low	56 Å²	56	103 Å²	103	46%	0.463	54%	0.535	S	S	.	.	H	α-helix	trans	-74.4	-40.2	174.5	0	0	0	0	0	111.5	M565 S566 S567 M572 D573	M565-A569 WeakPolarHBondContact O-CB 3.43Å; M565-A569 PolarHBondContact O-N 3.35Å; S566-A569 CarbonylContact O-C 3.56Å; S566-A569 PolarHBondContact O-N 2.93Å; S566-A569 VanDerWaalsContact O-N 3.08Å; S567-A569 VanDerWaalsContact C-N 3.34Å; A569-M572 PolarHBondContact O-N 2.91Å; A569-D573 WeakPolarHBondContact O-CB 3.42Å; A569-D573 PolarHBondContact O-N 3.44Å
570	E	63.6	Low	54.2	Low	124 Å²	124	105.1 Å²	105.1	58%	0.579	54%	0.54	S	S	*	.	H	α-helix	trans	-65.4	-42.4	174.3	-72.7	167.7	-163.9	0	0	111.1	S566 S567 M572 D573 L574	S566-E570 WeakPolarHBondContact O-CB 3.32Å; S566-E570 WeakPolarHBondContact O-CG 3.43Å; S566-E570 PolarHBondContact O-N 3.37Å; S567-E570 PolarHBondContact O-N 3.05Å; E570-M572 VanDerWaalsContact C-N 3.34Å; E570-M572 PolarHBondContact O-N 2.96Å; E570-D573 PolarHBondContact O-N 2.87Å; E570-L574 VanDerWaalsContact O-CB 3.32Å; E570-L574 WeakPolarHBondContact O-CB 3.38Å; E570-L574 VanDerWaalsContact O-CG 3.29Å; E570-L574 WeakPolarHBondContact O-CG 3.44Å; E570-L574 PolarHBondContact O-N 2.9Å
571	E	56.2	Low	54.3	Low	88 Å²	88	104.8 Å²	104.8	41%	0.411	54%	0.537	S	S	.	.	H	α-helix	trans	-61.8	-40.2	171.9	-174.3	176.8	-148.9	0	0	111.8	S567 L575	S567-E571 WeakPolarHBondContact O-CB 3.06Å; S567-E571 PolarHBondContact O-N 2.8Å; E571-L575 HydrophobicContact CG-CD1 4.32Å; E571-L575 WeakPolarHBondContact O-CD1 3.29Å; E571-L575 VanDerWaalsContact O-CG 3.26Å; E571-L575 WeakPolarHBondContact O-CG 3.36Å; E571-L575 PolarHBondContact O-N 3.39Å
572	M	50.1	Low	54.6	Low	116 Å²	116	103.8 Å²	103.8	57%	0.571	54%	0.536	S	S	*	.	H	α-helix	trans	-68.9	-40.4	176.1	-168.6	98.1	67	0	0	112.4	N568 A569 E570 L575 L576	N568-M572 VanDerWaalsContact O-CB 3.28Å; N568-M572 WeakPolarHBondContact O-CB 3.42Å; N568-M572 PolarHBondContact O-N 2.88Å; A569-M572 PolarHBondContact O-N 2.91Å; E570-M572 VanDerWaalsContact C-N 3.34Å; E570-M572 PolarHBondContact O-N 2.96Å; M572-L575 CarbonylContact O-C 3.51Å; M572-L575 PolarHBondContact O-N 3.07Å; M572-L575 VanDerWaalsContact O-N 3.11Å; M572-L576 HydrophobicContact CG-CD1 3.93Å; M572-L576 VanDerWaalsContact O-CG 3.27Å; M572-L576 WeakPolarHBondContact O-CG 3.47Å; M572-L576 PolarHBondContact O-N 3.35Å; M572-L576 VanDerWaalsContact O-N 3.11Å
573	D	52.2	Low	54.8	Low	87 Å²	87	100 Å²	100	47%	0.465	53%	0.531	S	S	.	.	H	α-helix	trans	-68.8	-38.1	179.4	-146.8	65.8	0	0	0	110.6	A569 E570 L575 L576 Q577	A569-D573 WeakPolarHBondContact O-CB 3.42Å; A569-D573 PolarHBondContact O-N 3.44Å; E570-D573 PolarHBondContact O-N 2.87Å; D573-L575 PolarHBondContact O-N 2.79Å; D573-L576 PolarHBondContact O-N 3.29Å; D573-L576 VanDerWaalsContact O-N 3.09Å; D573-Q577 WeakPolarHBondContact O-CG 3.41Å; D573-Q577 PolarHBondContact O-N 3.32Å; D573-Q577 PolarHBondContact OD2-NE2 3.11Å
574	L	56.2	Low	54.1	Low	113 Å²	113	101.4 Å²	101.4	59%	0.592	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-11.9	169.6	-74.7	168.2	0	0	0	114.7	E570	E570-L574 VanDerWaalsContact O-CB 3.32Å; E570-L574 WeakPolarHBondContact O-CB 3.38Å; E570-L574 VanDerWaalsContact O-CG 3.29Å; E570-L574 WeakPolarHBondContact O-CG 3.44Å; E570-L574 PolarHBondContact O-N 2.9Å
575	L	42.4	Very low	54	Low	87 Å²	87	101.5 Å²	101.5	46%	0.455	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-4.4	172.3	-73.6	169.1	0	0	0	112.9	E571 M572 D573	E571-L575 HydrophobicContact CG-CD1 4.32Å; E571-L575 WeakPolarHBondContact O-CD1 3.29Å; E571-L575 VanDerWaalsContact O-CG 3.26Å; E571-L575 WeakPolarHBondContact O-CG 3.36Å; E571-L575 PolarHBondContact O-N 3.39Å; M572-L575 CarbonylContact O-C 3.51Å; M572-L575 PolarHBondContact O-N 3.07Å; M572-L575 VanDerWaalsContact O-N 3.11Å; D573-L575 PolarHBondContact O-N 2.79Å
576	L	43.3	Very low	53.6	Low	137 Å²	137	98.1 Å²	98.1	72%	0.717	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	-20.1	178.8	-72.1	170	0	0	0	113.1	M572 D573	M572-L576 HydrophobicContact CG-CD1 3.93Å; M572-L576 VanDerWaalsContact O-CG 3.27Å; M572-L576 WeakPolarHBondContact O-CG 3.47Å; M572-L576 PolarHBondContact O-N 3.35Å; M572-L576 VanDerWaalsContact O-N 3.11Å; D573-L576 PolarHBondContact O-N 3.29Å; D573-L576 VanDerWaalsContact O-N 3.09Å
577	Q	37.9	Very low	52.7	Low	159 Å²	159	102.4 Å²	102.4	74%	0.743	54%	0.541	S	S	*	.			trans	-79.9	0	164.6	-64.8	178.8	34.9	0	0	111.6	F434 D573	F434-Q577 WeakPolarHBondContact CE1-OXT 3.45Å; D573-Q577 WeakPolarHBondContact O-CG 3.41Å; D573-Q577 PolarHBondContact O-N 3.32Å; D573-Q577 PolarHBondContact OD2-NE2 3.11Å

Retrieved 577 of 577 residues in 627.9 ms (Link to these results)

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