A0A6D2XGV7_PANTR Loading...

Histone acetyltransferase

AlphaFold DB , UniProt , Accession A0A6D2XGV7, Species PANTR (Pan troglodytes, Chimpanzee), Gene KAT8, Length 458 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34	Very low	27.9	Very low	239 Å²	239	124.1 Å²	124.1	100%	1.177	87%	0.874	S	S	*	*				0	95.9	0	-65	-170	-138.3	0	0	106.1
2	A	30.6	Very low	27.6	Very low	103 Å²	103	122 Å²	122	85%	0.851	87%	0.869	S	S	*	*				69.9	131.3	100.4	0	0	0	0	0	111.4
3	A	28.3	Very low	27.5	Very low	89 Å²	89	120.8 Å²	120.8	74%	0.736	87%	0.87	S	S	*	*			cis	-172.5	-179.8	-5.8	0	0	0	0	0	107.1
4	Q	29.7	Very low	27.3	Very low	198 Å²	198	121.9 Å²	121.9	93%	0.925	87%	0.868	S	S	*	*			trans	95.1	114.4	167.1	-55.3	174.6	-1.8	0	0	114.5
5	G	26	Very low	27.3	Very low	77 Å²	77	121.9 Å²	121.9	79%	0.794	87%	0.867	S	S	*	*			cis	102	102.1	8.1	0	0	0	0	0	112.2
6	A	27.4	Very low	27.1	Very low	111 Å²	111	118.6 Å²	118.6	92%	0.917	86%	0.857	S	S	*	*			trans	-163.5	128.8	151.7	0	0	0	0	0	110.4
7	A	25	Very low	27.2	Very low	100 Å²	100	120.2 Å²	120.2	83%	0.826	86%	0.858	S	S	*	*			trans	-118.1	-179.4	176.6	0	0	0	0	0	109.6
8	A	26.6	Very low	27.1	Very low	104 Å²	104	119.1 Å²	119.1	86%	0.86	86%	0.857	S	S	*	*			trans	100.8	143	170.1	0	0	0	0	0	114.5
9	A	26.6	Very low	26.9	Very low	99 Å²	99	116.4 Å²	116.4	82%	0.818	85%	0.848	S	S	*	*			cis	-162.3	160	3.3	0	0	0	0	0	110.1
10	V	26.5	Very low	26.7	Very low	144 Å²	144	121.1 Å²	121.1	87%	0.873	86%	0.855	S	S	*	*			trans	-87.8	141.1	169.6	174	0	0	0	0	109.1
11	A	26.1	Very low	26.6	Very low	101 Å²	101	119 Å²	119	84%	0.835	85%	0.852	S	S	*	*			trans	-155.5	123.2	153.5	0	0	0	0	0	111.6
12	A	24.6	Very low	26.2	Very low	99 Å²	99	116.5 Å²	116.5	82%	0.818	84%	0.838	S	S	*	*			trans	-89.5	150.1	165.7	0	0	0	0	0	109.6
13	A	26.5	Very low	26.1	Very low	107 Å²	107	117.4 Å²	117.4	88%	0.884	84%	0.835	S	S	*	*			trans	-146.8	129.4	161.8	0	0	0	0	0	110.6
14	T	24.6	Very low	25.8	Very low	136 Å²	136	116 Å²	116	83%	0.834	83%	0.829	S	S	*	*			trans	-115.4	136.6	-179.1	41.6	0	0	0	0	110.5
15	S	27.8	Very low	26.1	Very low	122 Å²	122	113.3 Å²	113.3	85%	0.853	83%	0.829	S	S	*	*			trans	167	122.8	150.8	51.6	0	0	0	0	107.3
16	G	24.3	Very low	26	Very low	69 Å²	69	113.3 Å²	113.3	71%	0.711	83%	0.829	S	S	*	*			cis	78.2	128.2	44.7	0	0	0	0	0	109.9
17	V	27.2	Very low	25.9	Very low	145 Å²	145	116.8 Å²	116.8	88%	0.879	83%	0.826	S	S	*	*			cis	-170.8	158	14.5	165	0	0	0	0	109.2
18	A	25.5	Very low	25.9	Very low	101 Å²	101	120.3 Å²	120.3	84%	0.835	83%	0.831	S	S	*	*			trans	85.3	140	154.5	0	0	0	0	0	119.5
19	G	23.7	Very low	25.9	Very low	67 Å²	67	120.3 Å²	120.3	69%	0.691	83%	0.831	S	S	*	*			cis	161.2	170.9	5.3	0	0	0	0	0	109.7
20	E	23.4	Very low	25.9	Very low	211 Å²	211	120.1 Å²	120.1	99%	0.986	83%	0.83	S	S	*	*			trans	88	128.5	178.8	-50.6	-170.2	165	0	0	115.9
21	G	24.7	Very low	25.8	Very low	77 Å²	77	118 Å²	118	79%	0.794	83%	0.827	S	S	*	*			cis	-177.7	151.4	3.1	0	0	0	0	0	109.5
22	E	24.7	Very low	25.8	Very low	186 Å²	186	122.3 Å²	122.3	87%	0.869	83%	0.83	S	S	*	*			trans	-69.7	164.3	-176.9	-125.3	-172.7	-167.6	0	0	113.7
23	P	29	Very low	25.8	Very low	122 Å²	122	121.1 Å²	121.1	79%	0.792	83%	0.828	S	S	*	*				-147.8	158.1	75.1	35.8	-15.2	0	0	0	117
24	G	22.6	Very low	25.9	Very low	59 Å²	59	122.8 Å²	122.8	61%	0.608	83%	0.827	S	S	*	*			trans	-78.6	-164.4	161.6	0	0	0	0	0	112.9
25	P	34.6	Very low	26	Very low	142 Å²	142	120.4 Å²	120.4	92%	0.922	82%	0.821	S	S	*	*			cis	-129.6	179.6	3.7	39.5	-21.7	0	0	0	114.2
26	G	24.1	Very low	26.1	Very low	77 Å²	77	120.6 Å²	120.6	79%	0.794	82%	0.819	S	S	*	*			trans	169.1	95.6	166.2	0	0	0	0	0	114.9
27	E	25.8	Very low	26.7	Very low	185 Å²	185	120.9 Å²	120.9	86%	0.864	81%	0.81	S	S	*	*			trans	-58.7	138.9	176.5	-65.5	164	122.5	0	0	113.7
28	N	25.3	Very low	27.3	Very low	173 Å²	173	119.3 Å²	119.3	93%	0.925	80%	0.803	S	S	*	*			trans	-168.4	75.6	145.2	-96.2	-28.3	0	0	0	109.7	A30	N28-A30 PolarHBondContact O-N 3.05Å
29	A	25.8	Very low	28.5	Very low	104 Å²	104	116.3 Å²	116.3	86%	0.86	78%	0.783	S	S	*	*			trans	-83	99.4	163.5	0	0	0	0	0	108.2	A31	A29-A31 PolarHBondContact O-N 3.4Å; A29-A31 VanDerWaalsContact O-N 3.15Å
30	A	26.7	Very low	30.1	Very low	96 Å²	96	121.1 Å²	121.1	79%	0.793	78%	0.78	S	S	*	*			trans	-66.7	109.7	167.2	0	0	0	0	0	108.4	N28 E32	N28-A30 PolarHBondContact O-N 3.05Å; A30-E32 PolarHBondContact O-N 3.29Å; A30-E32 VanDerWaalsContact O-N 3.15Å
31	A	25.2	Very low	32.1	Very low	100 Å²	100	113.2 Å²	113.2	83%	0.826	75%	0.746	S	S	*	*			trans	-65.3	106.2	172.1	0	0	0	0	0	109.7	A29 G33	A29-A31 PolarHBondContact O-N 3.4Å; A29-A31 VanDerWaalsContact O-N 3.15Å; A31-G33 PolarHBondContact O-N 3.05Å
32	E	26.7	Very low	33.9	Very low	190 Å²	190	114.6 Å²	114.6	89%	0.888	74%	0.744	S	S	*	*			trans	-69.8	106.2	161.5	-79.1	-173.3	151.5	0	0	108.3	A30 T34	A30-E32 PolarHBondContact O-N 3.29Å; A30-E32 VanDerWaalsContact O-N 3.15Å; E32-T34 PolarHBondContact O-N 2.89Å; E32-T34 VanDerWaalsContact O-N 3.11Å
33	G	24.7	Very low	35.5	Very low	75 Å²	75	107.9 Å²	107.9	77%	0.773	72%	0.716	S	S	*	*			trans	-62.7	108.8	175	0	0	0	0	0	111.1	A31 A35	A31-G33 PolarHBondContact O-N 3.05Å; G33-A35 PolarHBondContact O-N 3.31Å; G33-A35 VanDerWaalsContact O-N 3.16Å
34	T	27.5	Very low	37	Very low	141 Å²	141	104.5 Å²	104.5	87%	0.865	69%	0.694	S	S	*	*			trans	-55.5	114.6	163.3	-10.9	0	0	0	0	109.1	E32	E32-T34 PolarHBondContact O-N 2.89Å; E32-T34 VanDerWaalsContact O-N 3.11Å
35	A	26.1	Very low	38.6	Very low	86 Å²	86	108.1 Å²	108.1	71%	0.711	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-58.7	139.3	169.4	0	0	0	0	0	109.8	G33 S37	G33-A35 PolarHBondContact O-N 3.31Å; G33-A35 VanDerWaalsContact O-N 3.16Å; A35-S37 PolarHBondContact O-N 2.78Å
36	P	30.6	Very low	39.6	Very low	126 Å²	126	104.6 Å²	104.6	82%	0.818	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-66.5	124.7	179.6	26	-31.1	0	0	0	109.9
37	S	35.9	Very low	41.1	Very low	75 Å²	75	103.7 Å²	103.7	52%	0.524	67%	0.667	S	S	.	*	P	Polyproline II helix	trans	-60	133.4	168	33.7	0	0	0	0	109.9	A35 G39	A35-S37 PolarHBondContact O-N 2.78Å; S37-G39 PolarHBondContact O-N 3.31Å
38	P	40	Very low	42.3	Very low	112 Å²	112	107.5 Å²	107.5	73%	0.727	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	135.8	-178.1	-14.2	25.5	0	0	0	110.7	F96	P38-F96 WeakPolarHBondContact O-CZ 3.34Å
39	G	51.1	Low	43.8	Very low	39 Å²	39	103.1 Å²	103.1	40%	0.402	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	90.3	-6	165.6	0	0	0	0	0	117.7	S37 V41 H71	S37-G39 PolarHBondContact O-N 3.31Å; G39-V41 PolarHBondContact O-N 3.2Å; G39-H71 PolarHBondContact O-ND1 2.98Å
40	R	57.4	Low	45.7	Very low	167 Å²	167	100.6 Å²	100.6	63%	0.63	64%	0.639	S	S	*	*	B	Isolated β-bridge	trans	-76.4	116.5	176.8	-168	177.1	-175.5	-174.5	2.8	110.4
41	V	66.1	Low	47.6	Very low	45 Å²	45	100.7 Å²	100.7	27%	0.273	63%	0.632	S	S	.	*			trans	-114	138.7	177.1	-171.4	0	0	0	0	108.7	G39 L62 W70	G39-V41 PolarHBondContact O-N 3.2Å; V41-L62 HydrophobicContact CB-CD2 3.75Å; V41-L62 HydrophobicContact CG1-CD1 4.28Å; V41-L62 HydrophobicContact CG1-CD2 4.23Å; V41-L62 HydrophobicContact CG2-CD2 4.27Å; V41-W70 PolarHBondContact N-O 3.35Å; V41-W70 WeakPolarHBondContact O-CB 3.31Å
42	S	61.6	Low	49.8	Very low	107 Å²	107	102.3 Å²	102.3	75%	0.748	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-84.9	120.6	168.3	-61.9	0	0	0	0	107.8
43	P	58.5	Low	52.3	Low	45 Å²	45	94.7 Å²	94.7	29%	0.292	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-63.2	137.2	177.2	26.4	-33.1	0	0	0	109	L62 W70	P43-L62 HydrophobicContact CB-CD1 4.29Å; P43-W70 HydrophobicContact CG-CD2 4.17Å; P43-W70 HydrophobicContact CG-CG 3.97Å
44	P	60.4	Low	55.1	Low	50 Å²	50	96 Å²	96	33%	0.325	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-61.3	142.1	170.5	22.5	-27.6	0	0	0	109.5	P46 V115 A118	P44-P46 VanDerWaalsContact O-CD 3.27Å; P44-P46 WeakPolarHBondContact O-CD 3.47Å; P44-V115 HydrophobicContact CG-CB 4.48Å; P44-V115 HydrophobicContact CG-CG2 3.87Å; P44-A118 HydrophobicContact CG-CB 4.24Å
45	T	56.8	Low	57.8	Low	136 Å²	136	90.7 Å²	90.7	83%	0.834	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-63.8	116.4	179.3	-43	0	0	0	0	109.1
46	P	55.4	Low	60.7	Low	68 Å²	68	90.8 Å²	90.8	44%	0.442	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-68.1	140.9	-179.3	25.8	-31.5	0	0	0	110.5	P44 T112	P44-P46 VanDerWaalsContact O-CD 3.27Å; P44-P46 WeakPolarHBondContact O-CD 3.47Å; P46-T112 HydrophobicContact CB-CG2 3.74Å
47	A	56.2	Low	63.5	Low	58 Å²	58	89.8 Å²	89.8	48%	0.479	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-67.7	141.6	172.2	0	0	0	0	0	110.1	G49 E50	A47-G49 PolarHBondContact O-N 3.26Å; A47-G49 VanDerWaalsContact O-N 3.16Å; A47-E50 HydrophobicContact CB-CG 4.11Å; A47-E50 WeakPolarHBondContact CB-OE1 3.42Å; A47-E50 PolarHBondContact O-N 2.89Å
48	R	50.3	Low	65.8	Low	264 Å²	264	88.1 Å²	88.1	100%	0.996	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	119.7	178.2	-100	-176.2	173.3	-177.9	-1.4	109.9
49	G	57.4	Low	68	Low	81 Å²	81	85.6 Å²	85.6	84%	0.835	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.5	12.5	174.4	0	0	0	0	0	115.8	A47	A47-G49 PolarHBondContact O-N 3.26Å; A47-G49 VanDerWaalsContact O-N 3.16Å
50	E	65.1	Low	69.7	Low	51 Å²	51	84.8 Å²	84.8	24%	0.238	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-63.4	137.4	170.5	-77.5	-177.6	-166.6	0	0	111.6	A47 T112 T114	A47-E50 HydrophobicContact CB-CG 4.11Å; A47-E50 WeakPolarHBondContact CB-OE1 3.42Å; A47-E50 PolarHBondContact O-N 2.89Å; E50-T112 VanDerWaalsContact OE2-CB 3.28Å; E50-T112 WeakPolarHBondContact OE2-CB 3.25Å; E50-T114 VanDerWaalsContact CD-OG1 3.22Å; E50-T114 PolarHBondContact OE1-OG1 3.45Å; E50-T114 WeakPolarHBondContact OE2-CB 3.48Å; E50-T114 PolarHBondContact OE2-OG1 3.34Å; E50-T114 VanDerWaalsContact OE2-OG1 3.08Å
51	P	66.3	Low	71.2	Confident	99 Å²	99	76.9 Å²	76.9	64%	0.643	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-66.1	136.5	176	26.3	-32	0	0	0	110.7
52	E	71.3	Confident	72.3	Confident	133 Å²	133	74.9 Å²	74.9	62%	0.621	44%	0.44	S	S	*	.	B	Isolated β-bridge	trans	-65.9	134.5	169.6	-81.5	-170.7	174.4	0	0	110.3	K106	E52-K106 WeakPolarHBondContact OE2-CE 3.23Å; E52-K106 IonicContact OE2-NZ 3.76Å; E52-K106 PolarHBondContact OE2-NZ 3.33Å
53	V	79.1	Confident	73.6	Confident	31 Å²	31	69.8 Å²	69.8	19%	0.188	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-86	141.5	172.8	-170.7	0	0	0	0	109.2	L111 K113 K116	V53-L111 PolarHBondContact N-O 2.84Å; V53-K113 HydrophobicContact CG2-CB 4.06Å; V53-K116 HydrophobicContact CG1-CD 3.98Å
54	T	83.6	Confident	75.1	Confident	103 Å²	103	72.5 Å²	72.5	63%	0.632	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-65.5	138.4	170.6	44.8	0	0	0	0	110.5	E56	T54-E56 PolarHBondContact O-N 3.14Å
55	V	85.3	Confident	76.4	Confident	29 Å²	29	72.5 Å²	72.5	18%	0.176	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-74.8	124.1	178.6	-169.1	0	0	0	0	109.2	Y61 V75 F89 L109 L111	V55-Y61 HydrophobicContact CG1-CE2 4.09Å; V55-V75 HydrophobicContact CG1-CB 4.36Å; V55-V75 HydrophobicContact CG1-CG1 4.03Å; V55-V75 HydrophobicContact CG1-CG2 3.84Å; V55-F89 HydrophobicContact CB-CD1 4.1Å; V55-F89 HydrophobicContact CB-CE1 3.48Å; V55-F89 VanDerWaalsContact CB-CE1 3.48Å; V55-F89 HydrophobicContact CB-CE2 4.34Å; V55-F89 HydrophobicContact CB-CZ 3.62Å; V55-F89 HydrophobicContact CG1-CD1 3.65Å; V55-F89 HydrophobicContact CG1-CE1 3.59Å; V55-F89 HydrophobicContact CG1-CG 4.19Å; V55-F89 HydrophobicContact CG1-CZ 4.07Å; V55-F89 HydrophobicContact CG2-CE1 3.96Å; V55-F89 HydrophobicContact CG2-CE2 3.88Å; V55-F89 HydrophobicContact CG2-CZ 3.56Å; V55-L109 HydrophobicContact CG1-CD1 3.87Å; V55-L109 HydrophobicContact CG2-CD1 3.97Å; V55-L111 HydrophobicContact CG2-CD1 3.75Å; V55-L111 HydrophobicContact CG2-CD2 3.69Å; V55-L111 HydrophobicContact CG2-CG 4.38Å
56	E	86.7	Confident	77.7	Confident	87 Å²	87	70.8 Å²	70.8	41%	0.407	39%	0.394	S	S	.	.			trans	-105.7	134.9	178.7	-69.9	162.7	177.6	0	0	110.3	T54 E59 Y61 K116	T54-E56 PolarHBondContact O-N 3.14Å; E56-E59 HydrophobicContact CB-CB 4.26Å; E56-E59 HydrophobicContact CB-CG 3.79Å; E56-E59 PolarHBondContact O-N 3.21Å; E56-Y61 PolarHBondContact N-OH 2.64Å; E56-K116 IonicContact OE1-NZ 2.74Å; E56-K116 IonicContact OE2-NZ 3.84Å; E56-K116 PolarHBondContact OE2-NZ 2.91Å
57	I	88.2	Confident	79.2	Confident	105 Å²	105	72.1 Å²	72.1	54%	0.538	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	136	176	-63.5	173.2	0	0	0	109.4	E59 I76	I57-E59 VanDerWaalsContact C-N 3.33Å; I57-I76 WeakPolarHBondContact CG2-O 3.41Å
58	G	84.7	Confident	80.5	Confident	41 Å²	41	73.4 Å²	73.4	42%	0.423	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.4	-11	-176.1	0	0	0	0	0	113.9	V75	G58-V75 PolarHBondContact N-O 3.38Å
59	E	86.6	Confident	82.3	Confident	59 Å²	59	61.7 Å²	61.7	28%	0.276	36%	0.361	S	S	.	.			trans	-90	156.3	179.4	-68.6	-61.9	144.9	0	0	112.2	E56 I57 Y61 V75 Q120	E56-E59 HydrophobicContact CB-CB 4.26Å; E56-E59 HydrophobicContact CB-CG 3.79Å; E56-E59 PolarHBondContact O-N 3.21Å; I57-E59 VanDerWaalsContact C-N 3.33Å; E59-Y61 HydrophobicContact CB-CD2 4.45Å; E59-Y61 HydrophobicContact CB-CE2 3.54Å; E59-V75 PolarHBondContact O-N 3.2Å; E59-Q120 PolarHBondContact OE2-NE2 2.94Å
60	T	86.4	Confident	83.6	Confident	22 Å²	22	60.3 Å²	60.3	14%	0.135	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	130.3	-179.4	-56.1	0	0	0	0	111.4	S72 A73 V94 V119	T60-S72 WeakPolarHBondContact CG2-OG 3.29Å; T60-A73 CarbonylContact C-O 3.57Å; T60-A73 WeakPolarHBondContact CA-O 3.34Å; T60-V94 HydrophobicContact CG2-CG2 4.19Å; T60-V119 HydrophobicContact CG2-CG1 3.73Å
61	Y	88.6	Confident	84.7	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	160.5	179.5	-61	-93.8	0	0	0	110.8	V55 E56 E59 C63 A73 V75 L111 K116	V55-Y61 HydrophobicContact CG1-CE2 4.09Å; E56-Y61 PolarHBondContact N-OH 2.64Å; E59-Y61 HydrophobicContact CB-CD2 4.45Å; E59-Y61 HydrophobicContact CB-CE2 3.54Å; Y61-C63 PolarHBondContact O-N 2.98Å; Y61-A73 PolarHBondContact N-O 3.34Å; Y61-A73 PolarHBondContact O-N 2.9Å; Y61-V75 HydrophobicContact CD2-CB 4.43Å; Y61-V75 HydrophobicContact CD2-CG2 3.55Å; Y61-V75 HydrophobicContact CE2-CB 4.45Å; Y61-V75 HydrophobicContact CE2-CG2 3.93Å; Y61-L111 HydrophobicContact CD1-CD2 3.85Å; Y61-L111 HydrophobicContact CE1-CD2 4.06Å; Y61-K116 HydrophobicContact CE1-CD 3.9Å; Y61-K116 HydrophobicContact CE1-CG 4.15Å; Y61-K116 PolarHBondContact OH-NZ 3.42Å
62	L	88.9	Confident	85.7	Confident	3 Å²	3	55 Å²	55	2%	0.016	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	119.3	164.5	-90.6	162.4	0	0	0	108.9	V41 P43 W70 H71 L109 A110 V115 V119	V41-L62 HydrophobicContact CB-CD2 3.75Å; V41-L62 HydrophobicContact CG1-CD1 4.28Å; V41-L62 HydrophobicContact CG1-CD2 4.23Å; V41-L62 HydrophobicContact CG2-CD2 4.27Å; P43-L62 HydrophobicContact CB-CD1 4.29Å; L62-W70 HydrophobicContact CB-CE3 3.96Å; L62-W70 HydrophobicContact CB-CZ3 4.47Å; L62-W70 HydrophobicContact CD2-CB 3.94Å; L62-W70 WeakPolarHBondContact O-CZ3 3.33Å; L62-H71 WeakPolarHBondContact CA-O 3.29Å; L62-L109 WeakPolarHBondContact O-CA 3.43Å; L62-A110 HydrophobicContact CB-CB 4Å; L62-A110 PolarHBondContact O-N 3.06Å; L62-V115 HydrophobicContact CB-CG1 4.22Å; L62-V115 HydrophobicContact CD1-CG1 3.74Å; L62-V119 HydrophobicContact CB-CG2 4.11Å; L62-V119 HydrophobicContact CD1-CG2 3.5Å; L62-V119 VanDerWaalsContact CD1-CG2 3.5Å; L62-V119 HydrophobicContact CG-CG2 3.43Å; L62-V119 VanDerWaalsContact CG-CG2 3.43Å
63	C	89.8	Confident	86.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129.8	177.6	-179.3	0	0	0	0	110.3	Y61 H71 A73 Y93 R108 L109	Y61-C63 PolarHBondContact O-N 2.98Å; C63-H71 PolarHBondContact N-O 2.77Å; C63-H71 PolarHBondContact O-N 3.11Å; C63-A73 HydrophobicContact CB-CB 3.68Å; C63-Y93 HydrophobicContact CB-CE1 3.87Å; C63-Y93 PolarHBondContact SG-OH 2.96Å; C63-R108 CarbonylContact C-O 3.44Å; C63-R108 WeakPolarHBondContact CA-O 3.21Å; C63-L109 HydrophobicContact CB-CD2 3.86Å
64	R	89.8	Confident	87.1	Confident	102 Å²	102	50.6 Å²	50.6	39%	0.385	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	128.4	175.4	-167.7	174.9	65.2	-176.7	-2.8	109.9	T69 W70 R108	R64-T69 CarbonylContact C-O 3.45Å; R64-T69 WeakPolarHBondContact CA-O 3.42Å; R64-W70 HydrophobicContact CB-CD2 3.87Å; R64-W70 HydrophobicContact CB-CE3 3.79Å; R64-W70 HydrophobicContact CB-CH2 3.82Å; R64-W70 HydrophobicContact CB-CZ2 3.89Å; R64-W70 HydrophobicContact CB-CZ3 3.75Å; R64-W70 HydrophobicContact CG-CD2 4.28Å; R64-W70 HydrophobicContact CG-CZ2 4.22Å; R64-W70 VanDerWaalsContact N-CE3 3.34Å; R64-R108 PolarHBondContact N-O 3.07Å; R64-R108 PolarHBondContact O-NE 3.2Å; R64-R108 PolarHBondContact O-NH2 3.32Å
65	R	88.8	Confident	87.4	Confident	50 Å²	50	45.7 Å²	45.7	19%	0.189	25%	0.247	C	C	.	.			trans	-86.6	166.5	175	-71.9	-171.5	74.4	-168	-3.3	112.1	D67 S68 T69 H71 Y93	R65-D67 VanDerWaalsContact CB-OD1 3.26Å; R65-D67 WeakPolarHBondContact CB-OD1 3.42Å; R65-D67 PolarHBondContact O-N 3.05Å; R65-S68 WeakPolarHBondContact O-CA 3.2Å; R65-S68 PolarHBondContact O-N 2.93Å; R65-T69 PolarHBondContact N-O 2.89Å; R65-H71 WeakPolarHBondContact CD-CD2 3.34Å; R65-Y93 HydrophobicContact CG-CD1 4.48Å; R65-Y93 HydrophobicContact CG-CE1 3.68Å; R65-Y93 HydrophobicContact CG-CE2 4.33Å
66	P	84.1	Confident	87.5	Confident	100 Å²	100	46 Å²	46	65%	0.649	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.6	179.5	-25.9	36.6	0	0	0	114.2	S68	P66-S68 PolarHBondContact O-N 3.07Å
67	D	86.4	Confident	87.5	Confident	96 Å²	96	44.7 Å²	44.7	51%	0.513	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	10.2	172.9	67.4	-1.3	0	0	0	113.6	R65 T69	R65-D67 VanDerWaalsContact CB-OD1 3.26Å; R65-D67 WeakPolarHBondContact CB-OD1 3.42Å; R65-D67 PolarHBondContact O-N 3.05Å; D67-T69 PolarHBondContact O-N 3.29Å; D67-T69 WeakPolarHBondContact OD1-CB 3.41Å; D67-T69 PolarHBondContact OD1-N 3.35Å; D67-T69 PolarHBondContact OD1-OG1 2.8Å; D67-T69 PolarHBondContact OD2-OG1 2.73Å
68	S	83.8	Confident	87.5	Confident	86 Å²	86	41.8 Å²	41.8	60%	0.601	23%	0.23	S	C	*	.	S	Bend	trans	63.7	13.3	-177	-56.5	0	0	0	0	115.2	R65 P66	R65-S68 WeakPolarHBondContact O-CA 3.2Å; R65-S68 PolarHBondContact O-N 2.93Å; P66-S68 PolarHBondContact O-N 3.07Å
69	T	87.1	Confident	87.5	Confident	18 Å²	18	42 Å²	42	11%	0.11	22%	0.218	C	C	.	.			trans	-87.8	149.1	173.8	66.4	0	0	0	0	111.4	R64 R65 D67 H71	R64-T69 CarbonylContact C-O 3.45Å; R64-T69 WeakPolarHBondContact CA-O 3.42Å; R65-T69 PolarHBondContact N-O 2.89Å; D67-T69 PolarHBondContact O-N 3.29Å; D67-T69 WeakPolarHBondContact OD1-CB 3.41Å; D67-T69 PolarHBondContact OD1-N 3.35Å; D67-T69 PolarHBondContact OD1-OG1 2.8Å; D67-T69 PolarHBondContact OD2-OG1 2.73Å; T69-H71 PolarHBondContact OG1-CD2 3.27Å; T69-H71 PolarHBondContact OG1-NE2 2.77Å
70	W	85.3	Confident	87.3	Confident	52 Å²	52	43.7 Å²	43.7	20%	0.197	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	133.9	179.7	-68.2	91	0	0	0	111.1	V41 P43 L62 R64 R108 A110	V41-W70 PolarHBondContact N-O 3.35Å; V41-W70 WeakPolarHBondContact O-CB 3.31Å; P43-W70 HydrophobicContact CG-CD2 4.17Å; P43-W70 HydrophobicContact CG-CG 3.97Å; L62-W70 HydrophobicContact CB-CE3 3.96Å; L62-W70 HydrophobicContact CB-CZ3 4.47Å; L62-W70 HydrophobicContact CD2-CB 3.94Å; L62-W70 WeakPolarHBondContact O-CZ3 3.33Å; R64-W70 HydrophobicContact CB-CD2 3.87Å; R64-W70 HydrophobicContact CB-CE3 3.79Å; R64-W70 HydrophobicContact CB-CH2 3.82Å; R64-W70 HydrophobicContact CB-CZ2 3.89Å; R64-W70 HydrophobicContact CB-CZ3 3.75Å; R64-W70 HydrophobicContact CG-CD2 4.28Å; R64-W70 HydrophobicContact CG-CZ2 4.22Å; R64-W70 VanDerWaalsContact N-CE3 3.34Å; W70-R108 WeakPolarHBondContact CZ3-O 2.87Å; W70-A110 HydrophobicContact CE3-CB 4.36Å; W70-A110 HydrophobicContact CH2-CB 4.01Å; W70-A110 HydrophobicContact CZ3-CB 3.66Å
71	H	87.2	Confident	86.7	Confident	12 Å²	12	43.4 Å²	43.4	6%	0.056	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	147.7	-176.6	-65.5	-95.6	0	0	0	110.2	G39 L62 C63 R65 T69 A73 Y93 F96	G39-H71 PolarHBondContact O-ND1 2.98Å; L62-H71 WeakPolarHBondContact CA-O 3.29Å; C63-H71 PolarHBondContact N-O 2.77Å; C63-H71 PolarHBondContact O-N 3.11Å; R65-H71 WeakPolarHBondContact CD-CD2 3.34Å; T69-H71 PolarHBondContact OG1-CD2 3.27Å; T69-H71 PolarHBondContact OG1-NE2 2.77Å; H71-A73 PolarHBondContact O-N 3.27Å; H71-Y93 HydrophobicContact CB-CD1 3.65Å; H71-Y93 HydrophobicContact CB-CE1 4.09Å; H71-F96 AromaticContact CE1-CZ 3.81Å; H71-F96 AromaticContact ND1-CE2 3.5Å; H71-F96 WeakPolarHBondContact ND1-CE2 3.19Å; H71-F96 AromaticContact ND1-CZ 3.54Å
72	S	87.8	Confident	85.9	Confident	26 Å²	26	51 Å²	51	18%	0.182	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	128.3	171.1	-159.4	0	0	0	0	109.3	T60 V94	T60-S72 WeakPolarHBondContact CG2-OG 3.29Å; S72-V94 PolarHBondContact O-N 2.89Å
73	A	89.9	Confident	84.8	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	131.2	-177.3	0	0	0	0	0	111.9	T60 Y61 C63 H71 V91 H92 Y93	T60-A73 CarbonylContact C-O 3.57Å; T60-A73 WeakPolarHBondContact CA-O 3.34Å; Y61-A73 PolarHBondContact N-O 3.34Å; Y61-A73 PolarHBondContact O-N 2.9Å; C63-A73 HydrophobicContact CB-CB 3.68Å; H71-A73 PolarHBondContact O-N 3.27Å; A73-V91 HydrophobicContact CB-CB 4.05Å; A73-H92 CarbonylContact C-O 3.53Å; A73-H92 WeakPolarHBondContact CA-O 3.3Å; A73-Y93 HydrophobicContact CB-CD1 3.82Å; A73-Y93 HydrophobicContact CB-CE1 4.06Å
74	E	89.9	Confident	84	Confident	71 Å²	71	62.8 Å²	62.8	33%	0.332	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	129.7	173	-174.2	-172.8	155.5	0	0	109.3	I76 V91 H92	E74-I76 PolarHBondContact O-N 3.03Å; E74-V91 CarbonylContact O-C 3.57Å; E74-V91 VanDerWaalsContact O-CA 3.31Å; E74-V91 WeakPolarHBondContact O-CA 3.4Å; E74-H92 PolarHBondContact N-O 2.96Å; E74-H92 PolarHBondContact O-N 2.68Å
75	V	89.8	Confident	83.4	Confident	0 Å²	0	61 Å²	61	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	112	173.3	174	0	0	0	0	108.6	V55 G58 E59 Y61 F89 V91 L109	V55-V75 HydrophobicContact CG1-CB 4.36Å; V55-V75 HydrophobicContact CG1-CG1 4.03Å; V55-V75 HydrophobicContact CG1-CG2 3.84Å; G58-V75 PolarHBondContact N-O 3.38Å; E59-V75 PolarHBondContact O-N 3.2Å; Y61-V75 HydrophobicContact CD2-CB 4.43Å; Y61-V75 HydrophobicContact CD2-CG2 3.55Å; Y61-V75 HydrophobicContact CE2-CB 4.45Å; Y61-V75 HydrophobicContact CE2-CG2 3.93Å; V75-F89 HydrophobicContact CG1-CB 4.18Å; V75-F89 HydrophobicContact CG1-CD1 3.94Å; V75-F89 HydrophobicContact CG1-CG 4.46Å; V75-V91 HydrophobicContact CG2-CG1 4.1Å; V75-L109 HydrophobicContact CG2-CD1 4.31Å
76	I	87.4	Confident	83	Confident	35 Å²	35	64.8 Å²	64.8	18%	0.179	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-37.2	-174.9	-64	178.2	0	0	0	111.6	I57 E74 Y90 H92 V176	I57-I76 WeakPolarHBondContact CG2-O 3.41Å; E74-I76 PolarHBondContact O-N 3.03Å; I76-Y90 HydrophobicContact CB-CD1 4.1Å; I76-Y90 HydrophobicContact CD1-CD1 4.22Å; I76-Y90 HydrophobicContact CD1-CE1 4.3Å; I76-Y90 HydrophobicContact CG2-CD1 4.44Å; I76-Y90 PolarHBondContact N-O 2.97Å; I76-H92 HydrophobicContact CD1-CB 3.45Å; I76-H92 VanDerWaalsContact CD1-CB 3.45Å; I76-H92 HydrophobicContact CG1-CB 4.21Å; I76-V176 HydrophobicContact CG2-CG2 3.72Å
77	Q	87.7	Confident	83.1	Confident	60 Å²	60	64.6 Å²	64.6	28%	0.28	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	156	-176.7	-168.2	171.3	-1.8	0	0	110.7	F89 Y90 W103 V176	Q77-F89 CarbonylContact O-C 3.59Å; Q77-F89 WeakPolarHBondContact O-CA 3.38Å; Q77-Y90 PolarHBondContact O-N 3.41Å; Q77-W103 HydrophobicContact CB-CH2 4.2Å; Q77-W103 HydrophobicContact CG-CH2 4.14Å; Q77-V176 HydrophobicContact CB-CG2 4.06Å; Q77-V176 VanDerWaalsContact OE1-CG2 3.25Å
78	S	88.4	Confident	83.3	Confident	44 Å²	44	61 Å²	61	31%	0.308	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	151.4	167.4	62.1	0	0	0	0	111.4	E88	S78-E88 CarbonylContact C-O 3.59Å; S78-E88 VanDerWaalsContact CA-O 3.31Å; S78-E88 WeakPolarHBondContact CA-O 3.4Å
79	R	84.4	Confident	83.6	Confident	45 Å²	45	57 Å²	57	17%	0.17	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	156.6	171.4	75.9	-177.9	-179.6	-169.7	-1.4	110.5	E88 W103 D180	R79-E88 HydrophobicContact CG-CB 4.1Å; R79-E88 IonicContact CZ-OE2 3.66Å; R79-E88 PolarHBondContact N-O 3.19Å; R79-E88 IonicContact NE-OE2 2.95Å; R79-E88 PolarHBondContact NE-OE2 2.94Å; R79-E88 IonicContact NH2-OE2 3.93Å; R79-E88 PolarHBondContact NH2-OE2 3.21Å; R79-E88 PolarHBondContact O-N 3.11Å; R79-W103 HydrophobicContact CB-CE3 4.49Å; R79-W103 HydrophobicContact CB-CH2 3.82Å; R79-W103 HydrophobicContact CB-CZ3 3.75Å; R79-W103 HydrophobicContact CG-CD2 4.27Å; R79-W103 HydrophobicContact CG-CE3 3.69Å; R79-W103 HydrophobicContact CG-CH2 3.79Å; R79-W103 HydrophobicContact CG-CZ2 4.33Å; R79-W103 HydrophobicContact CG-CZ3 3.44Å; R79-W103 VanDerWaalsContact CG-CZ3 3.44Å; R79-D180 IonicContact CZ-OD2 3.83Å; R79-D180 IonicContact NH1-OD2 2.84Å; R79-D180 PolarHBondContact NH1-OD2 2.85Å; R79-D180 IonicContact NH2-OD2 2.71Å; R79-D180 PolarHBondContact NH2-OD2 2.85Å
80	V	82.3	Confident	83.8	Confident	95 Å²	95	56.5 Å²	56.5	58%	0.576	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.3	163.6	-177.5	0	0	0	0	107.2	D82	V80-D82 PolarHBondContact O-N 2.99Å
81	N	73.7	Confident	84	Confident	17 Å²	17	54 Å²	54	9%	0.091	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	103.8	174.8	-178.6	-22.7	0	0	0	108.8	Q83 E84 G85 R86 E88	N81-Q83 PolarHBondContact O-N 3.1Å; N81-Q83 VanDerWaalsContact O-N 3.1Å; N81-Q83 WeakPolarHBondContact OD1-CB 3.27Å; N81-Q83 PolarHBondContact OD1-N 3.2Å; N81-E84 PolarHBondContact O-N 2.76Å; N81-E84 PolarHBondContact OD1-N 3.2Å; N81-G85 WeakPolarHBondContact O-CA 3.36Å; N81-G85 PolarHBondContact O-N 3Å; N81-R86 PolarHBondContact N-O 3.16Å; N81-E88 HydrophobicContact CB-CG 4.43Å; N81-E88 PolarHBondContact ND2-OE1 3.49Å
82	D	71.8	Confident	84.1	Confident	158 Å²	158	55.2 Å²	55.2	85%	0.845	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.3	-178.3	-66.3	-31.4	0	0	0	113.8	V80	V80-D82 PolarHBondContact O-N 2.99Å
83	Q	66.8	Low	84.2	Confident	136 Å²	136	54 Å²	54	64%	0.636	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-35.8	179.9	-58.7	-173.6	5.4	0	0	112.5	N81	N81-Q83 PolarHBondContact O-N 3.1Å; N81-Q83 VanDerWaalsContact O-N 3.1Å; N81-Q83 WeakPolarHBondContact OD1-CB 3.27Å; N81-Q83 PolarHBondContact OD1-N 3.2Å
84	E	72.6	Confident	83.8	Confident	115 Å²	115	56 Å²	56	54%	0.537	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-11.1	-175.7	-61.9	-162.7	176.1	0	0	114.1	N81 R86	N81-E84 PolarHBondContact O-N 2.76Å; N81-E84 PolarHBondContact OD1-N 3.2Å; E84-R86 HydrophobicContact CB-CG 4.28Å; E84-R86 PolarHBondContact O-N 2.74Å; E84-R86 IonicContact OE2-CZ 3.72Å; E84-R86 IonicContact OE2-NH1 3.54Å
85	G	75.8	Confident	83.3	Confident	64 Å²	64	55.8 Å²	55.8	66%	0.66	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	21.5	-176.4	0	0	0	0	0	113.9	N81	N81-G85 WeakPolarHBondContact O-CA 3.36Å; N81-G85 PolarHBondContact O-N 3Å
86	R	81.8	Confident	82.9	Confident	131 Å²	131	58.4 Å²	58.4	49%	0.494	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	148	-176.6	-65.5	-178.8	-174.5	173.7	7.4	111.6	N81 E84	N81-R86 PolarHBondContact N-O 3.16Å; E84-R86 HydrophobicContact CB-CG 4.28Å; E84-R86 PolarHBondContact O-N 2.74Å; E84-R86 IonicContact OE2-CZ 3.72Å; E84-R86 IonicContact OE2-NH1 3.54Å
87	E	86.3	Confident	82.6	Confident	95 Å²	95	60 Å²	60	44%	0.444	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	125.8	171.6	-169.9	177.6	-145.8	0	0	109.9	F89	E87-F89 VanDerWaalsContact CD-CZ 3.44Å; E87-F89 HydrophobicContact CG-CE1 4.29Å; E87-F89 HydrophobicContact CG-CE2 4.04Å; E87-F89 HydrophobicContact CG-CZ 3.7Å
88	E	89.9	Confident	82.4	Confident	20 Å²	20	60.8 Å²	60.8	9%	0.093	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	147.8	-179.9	-66.6	174.9	176.7	0	0	110.1	S78 R79 N81 W103 V104	S78-E88 CarbonylContact C-O 3.59Å; S78-E88 VanDerWaalsContact CA-O 3.31Å; S78-E88 WeakPolarHBondContact CA-O 3.4Å; R79-E88 HydrophobicContact CG-CB 4.1Å; R79-E88 IonicContact CZ-OE2 3.66Å; R79-E88 PolarHBondContact N-O 3.19Å; R79-E88 IonicContact NE-OE2 2.95Å; R79-E88 PolarHBondContact NE-OE2 2.94Å; R79-E88 IonicContact NH2-OE2 3.93Å; R79-E88 PolarHBondContact NH2-OE2 3.21Å; R79-E88 PolarHBondContact O-N 3.11Å; N81-E88 HydrophobicContact CB-CG 4.43Å; N81-E88 PolarHBondContact ND2-OE1 3.49Å; E88-W103 HydrophobicContact CB-CB 4.44Å; E88-W103 HydrophobicContact CB-CE3 3.95Å; E88-V104 WeakPolarHBondContact CA-O 3.4Å
89	F	90.2	Very high	82.1	Confident	3 Å²	3	65 Å²	65	1%	0.013	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.8	-179.1	-58.6	-82.5	0	0	0	110.1	V55 V75 Q77 E87 V91 W103 V104 K106 L109	V55-F89 HydrophobicContact CB-CD1 4.1Å; V55-F89 HydrophobicContact CB-CE1 3.48Å; V55-F89 VanDerWaalsContact CB-CE1 3.48Å; V55-F89 HydrophobicContact CB-CE2 4.34Å; V55-F89 HydrophobicContact CB-CZ 3.62Å; V55-F89 HydrophobicContact CG1-CD1 3.65Å; V55-F89 HydrophobicContact CG1-CE1 3.59Å; V55-F89 HydrophobicContact CG1-CG 4.19Å; V55-F89 HydrophobicContact CG1-CZ 4.07Å; V55-F89 HydrophobicContact CG2-CE1 3.96Å; V55-F89 HydrophobicContact CG2-CE2 3.88Å; V55-F89 HydrophobicContact CG2-CZ 3.56Å; V75-F89 HydrophobicContact CG1-CB 4.18Å; V75-F89 HydrophobicContact CG1-CD1 3.94Å; V75-F89 HydrophobicContact CG1-CG 4.46Å; Q77-F89 CarbonylContact O-C 3.59Å; Q77-F89 WeakPolarHBondContact O-CA 3.38Å; E87-F89 VanDerWaalsContact CD-CZ 3.44Å; E87-F89 HydrophobicContact CG-CE1 4.29Å; E87-F89 HydrophobicContact CG-CE2 4.04Å; E87-F89 HydrophobicContact CG-CZ 3.7Å; F89-V91 HydrophobicContact CB-CG1 4.4Å; F89-W103 CarbonylContact O-C 3.54Å; F89-W103 WeakPolarHBondContact O-CA 3.47Å; F89-V104 HydrophobicContact CB-CG2 4.37Å; F89-V104 PolarHBondContact N-O 3.29Å; F89-V104 WeakPolarHBondContact O-CG2 3.38Å; F89-V104 PolarHBondContact O-N 2.99Å; F89-K106 HydrophobicContact CE2-CB 3.89Å; F89-K106 HydrophobicContact CE2-CG 4.11Å; F89-L109 HydrophobicContact CB-CD1 4.27Å; F89-L109 HydrophobicContact CD2-CD1 3.79Å; F89-L109 HydrophobicContact CE2-CD1 4.38Å; F89-L109 HydrophobicContact CG-CD1 4.03Å
90	Y	90.2	Very high	82.1	Confident	7 Å²	7	65.1 Å²	65.1	3%	0.027	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	120.2	171.8	-168.2	-99	0	0	0	109	I76 Q77 D101 E102 W103 K175 V176 K177	I76-Y90 HydrophobicContact CB-CD1 4.1Å; I76-Y90 HydrophobicContact CD1-CD1 4.22Å; I76-Y90 HydrophobicContact CD1-CE1 4.3Å; I76-Y90 HydrophobicContact CG2-CD1 4.44Å; I76-Y90 PolarHBondContact N-O 2.97Å; Q77-Y90 PolarHBondContact O-N 3.41Å; Y90-D101 HydrophobicContact CE1-CB 3.81Å; Y90-D101 HydrophobicContact CE2-CB 4.31Å; Y90-D101 VanDerWaalsContact OH-CB 3.31Å; Y90-D101 WeakPolarHBondContact OH-CB 3.4Å; Y90-E102 WeakPolarHBondContact CA-O 3.46Å; Y90-W103 AromaticContact CD2-CD1 3.79Å; Y90-W103 AromaticContact CD2-CD2 3.98Å; Y90-W103 HydrophobicContact CD2-CD2 3.98Å; Y90-W103 AromaticContact CD2-CE2 3.73Å; Y90-W103 HydrophobicContact CD2-CG 4.05Å; Y90-W103 HydrophobicContact CD2-CZ2 4.29Å; Y90-W103 AromaticContact CD2-NE1 3.58Å; Y90-W103 HydrophobicContact CG-CD2 4.46Å; Y90-W103 HydrophobicContact CG-CZ2 4.46Å; Y90-W103 VanDerWaalsContact N-CE3 3.28Å; Y90-K175 WeakPolarHBondContact CE1-O 3.13Å; Y90-K175 PolarHBondContact OH-O 2.98Å; Y90-V176 HydrophobicContact CD1-CB 4.25Å; Y90-V176 HydrophobicContact CD1-CG1 4.09Å; Y90-V176 HydrophobicContact CD1-CG2 3.76Å; Y90-V176 HydrophobicContact CD2-CG1 3.92Å; Y90-V176 HydrophobicContact CE1-CB 4.38Å; Y90-V176 HydrophobicContact CE1-CG1 4.47Å; Y90-V176 HydrophobicContact CE1-CG2 4.14Å; Y90-V176 HydrophobicContact CE2-CG1 4.29Å; Y90-V176 HydrophobicContact CG-CB 4.43Å; Y90-V176 HydrophobicContact CG-CG1 3.78Å; Y90-V176 HydrophobicContact CG-CG2 4.22Å; Y90-K177 HydrophobicContact CE2-CB 3.94Å; Y90-K177 PolarHBondContact OH-N 2.82Å
91	V	90.8	Very high	82.4	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	139.2	-173.6	-62.5	0	0	0	0	112	A73 E74 V75 F89 Y93 D101 E102 V104 L109	A73-V91 HydrophobicContact CB-CB 4.05Å; E74-V91 CarbonylContact O-C 3.57Å; E74-V91 VanDerWaalsContact O-CA 3.31Å; E74-V91 WeakPolarHBondContact O-CA 3.4Å; V75-V91 HydrophobicContact CG2-CG1 4.1Å; F89-V91 HydrophobicContact CB-CG1 4.4Å; V91-Y93 HydrophobicContact CG2-CE2 4.27Å; V91-D101 VanDerWaalsContact O-CA 3.31Å; V91-D101 WeakPolarHBondContact O-CA 3.48Å; V91-D101 WeakPolarHBondContact O-CB 3.4Å; V91-E102 HydrophobicContact CG2-CG 4.39Å; V91-E102 PolarHBondContact N-O 3.35Å; V91-E102 PolarHBondContact O-N 3.27Å; V91-V104 HydrophobicContact CG1-CG2 3.7Å; V91-V104 HydrophobicContact CG2-CG1 3.79Å; V91-V104 HydrophobicContact CG2-CG2 4.02Å; V91-L109 HydrophobicContact CG1-CD2 4.27Å
92	H	89.9	Confident	83.2	Confident	37 Å²	37	62.1 Å²	62.1	17%	0.171	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122	168.4	173.3	62.7	0	0	0	110.4	A73 E74 I76 V94 F96 D101	A73-H92 CarbonylContact C-O 3.53Å; A73-H92 WeakPolarHBondContact CA-O 3.3Å; E74-H92 PolarHBondContact N-O 2.96Å; E74-H92 PolarHBondContact O-N 2.68Å; I76-H92 HydrophobicContact CD1-CB 3.45Å; I76-H92 VanDerWaalsContact CD1-CB 3.45Å; I76-H92 HydrophobicContact CG1-CB 4.21Å; H92-V94 PolarHBondContact O-N 2.59Å; H92-F96 PolarHBondContact CE1-O 3.28Å; H92-F96 VanDerWaalsContact CE1-O 3.3Å; H92-D101 WeakPolarHBondContact CA-OD1 3.3Å; H92-D101 IonicContact CE1-OD1 3.25Å; H92-D101 IonicContact CG-OD1 2.73Å; H92-D101 IonicContact CG-OD2 3.82Å; H92-D101 IonicContact ND1-OD1 3.87Å; H92-D101 PolarHBondContact ND1-OD1 2.96Å; H92-D101 IonicContact ND1-OD2 3.12Å; H92-D101 PolarHBondContact ND1-OD2 3.06Å
93	Y	87.9	Confident	84	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	117.2	178.9	-66.9	-73.3	0	0	0	110.6	C63 R65 H71 A73 V91 G95 F96 L100 E102 R108	C63-Y93 HydrophobicContact CB-CE1 3.87Å; C63-Y93 PolarHBondContact SG-OH 2.96Å; R65-Y93 HydrophobicContact CG-CD1 4.48Å; R65-Y93 HydrophobicContact CG-CE1 3.68Å; R65-Y93 HydrophobicContact CG-CE2 4.33Å; H71-Y93 HydrophobicContact CB-CD1 3.65Å; H71-Y93 HydrophobicContact CB-CE1 4.09Å; A73-Y93 HydrophobicContact CB-CD1 3.82Å; A73-Y93 HydrophobicContact CB-CE1 4.06Å; V91-Y93 HydrophobicContact CG2-CE2 4.27Å; Y93-G95 PolarHBondContact O-N 3.23Å; Y93-F96 WeakPolarHBondContact O-CB 3.22Å; Y93-F96 PolarHBondContact O-N 2.75Å; Y93-L100 HydrophobicContact CD2-CB 4.33Å; Y93-L100 WeakPolarHBondContact CD2-O 3.3Å; Y93-L100 WeakPolarHBondContact CE2-O 3.26Å; Y93-E102 HydrophobicContact CE2-CG 4.09Å; Y93-E102 PolarHBondContact OH-OE1 3.25Å; Y93-E102 VanDerWaalsContact OH-OE1 3.09Å; Y93-R108 PolarHBondContact OH-NH2 3.44Å
94	V	83.4	Confident	85.1	Confident	44 Å²	44	49.1 Å²	49.1	27%	0.267	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	125.6	-175.3	179.6	0	0	0	0	110.3	T60 S72 H92 F96	T60-V94 HydrophobicContact CG2-CG2 4.19Å; S72-V94 PolarHBondContact O-N 2.89Å; H92-V94 PolarHBondContact O-N 2.59Å; V94-F96 VanDerWaalsContact C-N 3.29Å; V94-F96 WeakPolarHBondContact O-CD2 3.37Å; V94-F96 PolarHBondContact O-N 3.35Å
95	G	77.4	Confident	85.9	Confident	66 Å²	66	45.7 Å²	45.7	68%	0.68	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.3	6	-179.2	0	0	0	0	0	114.7	Y93	Y93-G95 PolarHBondContact O-N 3.23Å
96	F	82.1	Confident	86.5	Confident	54 Å²	54	46.2 Å²	46.2	24%	0.237	22%	0.224	C	C	.	.	S	Bend	trans	-109.3	159.8	175.7	-69.7	-90.8	0	0	0	111.8	P38 H71 H92 Y93 V94 L100	P38-F96 WeakPolarHBondContact O-CZ 3.34Å; H71-F96 AromaticContact CE1-CZ 3.81Å; H71-F96 AromaticContact ND1-CE2 3.5Å; H71-F96 WeakPolarHBondContact ND1-CE2 3.19Å; H71-F96 AromaticContact ND1-CZ 3.54Å; H92-F96 PolarHBondContact CE1-O 3.28Å; H92-F96 VanDerWaalsContact CE1-O 3.3Å; Y93-F96 WeakPolarHBondContact O-CB 3.22Å; Y93-F96 PolarHBondContact O-N 2.75Å; V94-F96 VanDerWaalsContact C-N 3.29Å; V94-F96 WeakPolarHBondContact O-CD2 3.37Å; V94-F96 PolarHBondContact O-N 3.35Å; F96-L100 HydrophobicContact CB-CD1 4.1Å; F96-L100 HydrophobicContact CD1-CD1 3.8Å; F96-L100 HydrophobicContact CG-CD1 4.3Å
97	N	82.2	Confident	86.7	Confident	69 Å²	69	45.1 Å²	45.1	37%	0.369	23%	0.228	S	C	.	.			trans	-70.8	138.9	176.9	-175.2	-75	0	0	0	110.7	R99 L100	N97-R99 HydrophobicContact CB-CG 4.15Å; N97-R99 PolarHBondContact O-N 2.93Å; N97-R99 VanDerWaalsContact OD1-CB 3.31Å; N97-R99 WeakPolarHBondContact OD1-CB 3.34Å; N97-R99 VanDerWaalsContact OD1-CG 3.27Å; N97-R99 WeakPolarHBondContact OD1-CG 3.1Å; N97-R99 PolarHBondContact OD1-N 2.79Å; N97-L100 WeakPolarHBondContact O-CB 3.38Å; N97-L100 PolarHBondContact O-N 2.8Å
98	R	83.5	Confident	86.8	Confident	76 Å²	76	42.3 Å²	42.3	29%	0.287	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-52.7	-20.4	179.8	-72.4	-173.1	173.8	149.6	1.9	115.1	L100 D101 E171	R98-L100 PolarHBondContact O-N 3.03Å; R98-D101 WeakPolarHBondContact CA-OD1 3.39Å; R98-D101 VanDerWaalsContact O-CB 3.24Å; R98-D101 WeakPolarHBondContact O-CB 3.45Å; R98-D101 PolarHBondContact O-N 3.42Å; R98-E171 IonicContact CZ-OE2 2.82Å; R98-E171 IonicContact NH1-OE2 3.18Å; R98-E171 PolarHBondContact NH1-OE2 3.39Å; R98-E171 IonicContact NH2-OE2 3.41Å; R98-E171 PolarHBondContact NH2-OE2 2.85Å
99	R	80.7	Confident	86.7	Confident	133 Å²	133	41.8 Å²	41.8	50%	0.502	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-58.4	-17.5	171.9	77.7	-177.5	-167.9	-176.2	-0.8	114.4	N97 W192 Y193	N97-R99 HydrophobicContact CB-CG 4.15Å; N97-R99 PolarHBondContact O-N 2.93Å; N97-R99 VanDerWaalsContact OD1-CB 3.31Å; N97-R99 WeakPolarHBondContact OD1-CB 3.34Å; N97-R99 VanDerWaalsContact OD1-CG 3.27Å; N97-R99 WeakPolarHBondContact OD1-CG 3.1Å; N97-R99 PolarHBondContact OD1-N 2.79Å; R99-W192 WeakPolarHBondContact CA-O 3.41Å; R99-W192 HydrophobicContact CB-CB 3.97Å; R99-W192 HydrophobicContact CB-CG 4.36Å; R99-Y193 HydrophobicContact CB-CE1 4.23Å
100	L	85.1	Confident	86.5	Confident	48 Å²	48	42.3 Å²	42.3	25%	0.251	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-95.9	-4.4	179.1	-63.9	-178.5	0	0	0	112.4	Y93 F96 N97 R98	Y93-L100 HydrophobicContact CD2-CB 4.33Å; Y93-L100 WeakPolarHBondContact CD2-O 3.3Å; Y93-L100 WeakPolarHBondContact CE2-O 3.26Å; F96-L100 HydrophobicContact CB-CD1 4.1Å; F96-L100 HydrophobicContact CD1-CD1 3.8Å; F96-L100 HydrophobicContact CG-CD1 4.3Å; N97-L100 WeakPolarHBondContact O-CB 3.38Å; N97-L100 PolarHBondContact O-N 2.8Å; R98-L100 PolarHBondContact O-N 3.03Å
101	D	89.2	Confident	86	Confident	6 Å²	6	42.4 Å²	42.4	3%	0.032	22%	0.217	C	C	.	.			trans	-67.2	140.2	177.4	-59.7	-2.5	0	0	0	109.4	Y90 V91 H92 R98	Y90-D101 HydrophobicContact CE1-CB 3.81Å; Y90-D101 HydrophobicContact CE2-CB 4.31Å; Y90-D101 VanDerWaalsContact OH-CB 3.31Å; Y90-D101 WeakPolarHBondContact OH-CB 3.4Å; V91-D101 VanDerWaalsContact O-CA 3.31Å; V91-D101 WeakPolarHBondContact O-CA 3.48Å; V91-D101 WeakPolarHBondContact O-CB 3.4Å; H92-D101 WeakPolarHBondContact CA-OD1 3.3Å; H92-D101 IonicContact CE1-OD1 3.25Å; H92-D101 IonicContact CG-OD1 2.73Å; H92-D101 IonicContact CG-OD2 3.82Å; H92-D101 IonicContact ND1-OD1 3.87Å; H92-D101 PolarHBondContact ND1-OD1 2.96Å; H92-D101 IonicContact ND1-OD2 3.12Å; H92-D101 PolarHBondContact ND1-OD2 3.06Å; R98-D101 WeakPolarHBondContact CA-OD1 3.39Å; R98-D101 VanDerWaalsContact O-CB 3.24Å; R98-D101 WeakPolarHBondContact O-CB 3.45Å; R98-D101 PolarHBondContact O-N 3.42Å
102	E	90.1	Very high	85.4	Confident	42 Å²	42	43.7 Å²	43.7	20%	0.196	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	158.9	-173.2	55.2	172.7	140.9	0	0	111.6	Y90 V91 Y93 V104 R108	Y90-E102 WeakPolarHBondContact CA-O 3.46Å; V91-E102 HydrophobicContact CG2-CG 4.39Å; V91-E102 PolarHBondContact N-O 3.35Å; V91-E102 PolarHBondContact O-N 3.27Å; Y93-E102 HydrophobicContact CE2-CG 4.09Å; Y93-E102 PolarHBondContact OH-OE1 3.25Å; Y93-E102 VanDerWaalsContact OH-OE1 3.09Å; E102-V104 HydrophobicContact CG-CG1 3.75Å; E102-R108 VanDerWaalsContact CD-NH2 3.32Å; E102-R108 IonicContact OE1-CZ 2.91Å; E102-R108 IonicContact OE1-NH1 2.81Å; E102-R108 IonicContact OE1-NH2 3.44Å; E102-R108 PolarHBondContact OE1-NH2 2.99Å; E102-R108 IonicContact OE2-CZ 3.91Å; E102-R108 IonicContact OE2-NH1 3.99Å; E102-R108 PolarHBondContact OE2-NH1 2.89Å; E102-R108 IonicContact OE2-NH2 3.37Å; E102-R108 PolarHBondContact OE2-NH2 2.84Å
103	W	88.8	Confident	84.4	Confident	21 Å²	21	48 Å²	48	8%	0.08	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128.6	163.9	-68.3	94.2	0	0	0	109.5	Q77 R79 E88 F89 Y90 V176 K177	Q77-W103 HydrophobicContact CB-CH2 4.2Å; Q77-W103 HydrophobicContact CG-CH2 4.14Å; R79-W103 HydrophobicContact CB-CE3 4.49Å; R79-W103 HydrophobicContact CB-CH2 3.82Å; R79-W103 HydrophobicContact CB-CZ3 3.75Å; R79-W103 HydrophobicContact CG-CD2 4.27Å; R79-W103 HydrophobicContact CG-CE3 3.69Å; R79-W103 HydrophobicContact CG-CH2 3.79Å; R79-W103 HydrophobicContact CG-CZ2 4.33Å; R79-W103 HydrophobicContact CG-CZ3 3.44Å; R79-W103 VanDerWaalsContact CG-CZ3 3.44Å; E88-W103 HydrophobicContact CB-CB 4.44Å; E88-W103 HydrophobicContact CB-CE3 3.95Å; F89-W103 CarbonylContact O-C 3.54Å; F89-W103 WeakPolarHBondContact O-CA 3.47Å; Y90-W103 AromaticContact CD2-CD1 3.79Å; Y90-W103 AromaticContact CD2-CD2 3.98Å; Y90-W103 HydrophobicContact CD2-CD2 3.98Å; Y90-W103 AromaticContact CD2-CE2 3.73Å; Y90-W103 HydrophobicContact CD2-CG 4.05Å; Y90-W103 HydrophobicContact CD2-CZ2 4.29Å; Y90-W103 AromaticContact CD2-NE1 3.58Å; Y90-W103 HydrophobicContact CG-CD2 4.46Å; Y90-W103 HydrophobicContact CG-CZ2 4.46Å; Y90-W103 VanDerWaalsContact N-CE3 3.28Å; W103-V176 HydrophobicContact CH2-CG1 4.07Å; W103-V176 HydrophobicContact CZ2-CG1 3.36Å; W103-K177 PolarHBondContact NE1-O 2.83Å
104	V	90.1	Very high	83.6	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141.1	179.1	-56.4	0	0	0	0	111.1	E88 F89 V91 E102 R108 L109	E88-V104 WeakPolarHBondContact CA-O 3.4Å; F89-V104 HydrophobicContact CB-CG2 4.37Å; F89-V104 PolarHBondContact N-O 3.29Å; F89-V104 WeakPolarHBondContact O-CG2 3.38Å; F89-V104 PolarHBondContact O-N 2.99Å; V91-V104 HydrophobicContact CG1-CG2 3.7Å; V91-V104 HydrophobicContact CG2-CG1 3.79Å; V91-V104 HydrophobicContact CG2-CG2 4.02Å; E102-V104 HydrophobicContact CG-CG1 3.75Å; V104-R108 HydrophobicContact CB-CB 4.09Å; V104-R108 VanDerWaalsContact CG1-CZ 3.47Å; V104-R108 HydrophobicContact CG2-CB 4.49Å; V104-L109 HydrophobicContact CG2-CD2 4.13Å; V104-L109 HydrophobicContact CG2-CG 4.36Å
105	D	89.2	Confident	82.9	Confident	43 Å²	43	49.2 Å²	49.2	23%	0.23	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	152	169.2	-73.3	-59.8	0	0	0	111.3	N107 R108	D105-N107 VanDerWaalsContact CB-OD1 3.26Å; D105-N107 WeakPolarHBondContact CB-OD1 3.38Å; D105-N107 PolarHBondContact O-N 3.33Å; D105-R108 WeakPolarHBondContact O-CB 3.43Å; D105-R108 PolarHBondContact O-N 3.04Å
106	K	86.9	Confident	82.5	Confident	74 Å²	74	47.1 Å²	47.1	32%	0.322	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-48	-36.3	172.2	-167.5	-179	169.3	-163.2	0	113.1	E52 F89 R108 L109 L111	E52-K106 WeakPolarHBondContact OE2-CE 3.23Å; E52-K106 IonicContact OE2-NZ 3.76Å; E52-K106 PolarHBondContact OE2-NZ 3.33Å; F89-K106 HydrophobicContact CE2-CB 3.89Å; F89-K106 HydrophobicContact CE2-CG 4.11Å; K106-R108 PolarHBondContact O-N 3.46Å; K106-L109 PolarHBondContact O-N 3.45Å; K106-L109 VanDerWaalsContact O-N 3.13Å; K106-L111 HydrophobicContact CD-CD1 4.07Å; K106-L111 HydrophobicContact CG-CD1 3.49Å; K106-L111 VanDerWaalsContact CG-CD1 3.49Å
107	N	86.7	Confident	81.8	Confident	109 Å²	109	48.2 Å²	48.2	58%	0.583	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-68.8	-13.2	-178.1	69.2	15.7	0	0	0	114.6	D105	D105-N107 VanDerWaalsContact CB-OD1 3.26Å; D105-N107 WeakPolarHBondContact CB-OD1 3.38Å; D105-N107 PolarHBondContact O-N 3.33Å
108	R	88.8	Confident	81.1	Confident	36 Å²	36	46.9 Å²	46.9	14%	0.136	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-87.6	-10.2	175.4	-69.3	-177.8	59.8	-172.4	-10	111.9	C63 R64 W70 Y93 E102 V104 D105 K106	C63-R108 CarbonylContact C-O 3.44Å; C63-R108 WeakPolarHBondContact CA-O 3.21Å; R64-R108 PolarHBondContact N-O 3.07Å; R64-R108 PolarHBondContact O-NE 3.2Å; R64-R108 PolarHBondContact O-NH2 3.32Å; W70-R108 WeakPolarHBondContact CZ3-O 2.87Å; Y93-R108 PolarHBondContact OH-NH2 3.44Å; E102-R108 VanDerWaalsContact CD-NH2 3.32Å; E102-R108 IonicContact OE1-CZ 2.91Å; E102-R108 IonicContact OE1-NH1 2.81Å; E102-R108 IonicContact OE1-NH2 3.44Å; E102-R108 PolarHBondContact OE1-NH2 2.99Å; E102-R108 IonicContact OE2-CZ 3.91Å; E102-R108 IonicContact OE2-NH1 3.99Å; E102-R108 PolarHBondContact OE2-NH1 2.89Å; E102-R108 IonicContact OE2-NH2 3.37Å; E102-R108 PolarHBondContact OE2-NH2 2.84Å; V104-R108 HydrophobicContact CB-CB 4.09Å; V104-R108 VanDerWaalsContact CG1-CZ 3.47Å; V104-R108 HydrophobicContact CG2-CB 4.49Å; D105-R108 WeakPolarHBondContact O-CB 3.43Å; D105-R108 PolarHBondContact O-N 3.04Å; K106-R108 PolarHBondContact O-N 3.46Å
109	L	88	Confident	80.3	Confident	9 Å²	9	43.6 Å²	43.6	5%	0.047	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-94.4	135	175.6	-58.1	177.3	0	0	0	109.7	V55 L62 C63 V75 F89 V91 V104 K106 L111	V55-L109 HydrophobicContact CG1-CD1 3.87Å; V55-L109 HydrophobicContact CG2-CD1 3.97Å; L62-L109 WeakPolarHBondContact O-CA 3.43Å; C63-L109 HydrophobicContact CB-CD2 3.86Å; V75-L109 HydrophobicContact CG2-CD1 4.31Å; F89-L109 HydrophobicContact CB-CD1 4.27Å; F89-L109 HydrophobicContact CD2-CD1 3.79Å; F89-L109 HydrophobicContact CE2-CD1 4.38Å; F89-L109 HydrophobicContact CG-CD1 4.03Å; V91-L109 HydrophobicContact CG1-CD2 4.27Å; V104-L109 HydrophobicContact CG2-CD2 4.13Å; V104-L109 HydrophobicContact CG2-CG 4.36Å; K106-L109 PolarHBondContact O-N 3.45Å; K106-L109 VanDerWaalsContact O-N 3.13Å; L109-L111 HydrophobicContact CB-CD1 4.35Å; L109-L111 HydrophobicContact CB-CD2 3.62Å; L109-L111 HydrophobicContact CB-CG 3.84Å; L109-L111 HydrophobicContact CD1-CD2 4.36Å; L109-L111 PolarHBondContact O-N 3.3Å
110	A	84.8	Confident	79.7	Confident	14 Å²	14	40.4 Å²	40.4	12%	0.116	21%	0.209	C	C	.	.			trans	-82.5	100	171.3	0	0	0	0	0	109	L62 W70 V115	L62-A110 HydrophobicContact CB-CB 4Å; L62-A110 PolarHBondContact O-N 3.06Å; W70-A110 HydrophobicContact CE3-CB 4.36Å; W70-A110 HydrophobicContact CH2-CB 4.01Å; W70-A110 HydrophobicContact CZ3-CB 3.66Å; A110-V115 HydrophobicContact CB-CB 4.25Å; A110-V115 HydrophobicContact CB-CG1 3.55Å
111	L	80.7	Confident	78.8	Confident	9 Å²	9	45.2 Å²	45.2	5%	0.047	23%	0.228	C	C	.	.			trans	-102.7	19	-168.6	-60.5	179	0	0	0	114.5	V53 V55 Y61 K106 L109	V53-L111 PolarHBondContact N-O 2.84Å; V55-L111 HydrophobicContact CG2-CD1 3.75Å; V55-L111 HydrophobicContact CG2-CD2 3.69Å; V55-L111 HydrophobicContact CG2-CG 4.38Å; Y61-L111 HydrophobicContact CD1-CD2 3.85Å; Y61-L111 HydrophobicContact CE1-CD2 4.06Å; K106-L111 HydrophobicContact CD-CD1 4.07Å; K106-L111 HydrophobicContact CG-CD1 3.49Å; K106-L111 VanDerWaalsContact CG-CD1 3.49Å; L109-L111 HydrophobicContact CB-CD1 4.35Å; L109-L111 HydrophobicContact CB-CD2 3.62Å; L109-L111 HydrophobicContact CB-CG 3.84Å; L109-L111 HydrophobicContact CD1-CD2 4.36Å; L109-L111 PolarHBondContact O-N 3.3Å
112	T	77.1	Confident	77.7	Confident	26 Å²	26	49 Å²	49	16%	0.16	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-83.3	144.8	173.5	71.1	0	0	0	0	110.4	P46 E50 T114 V115 K116	P46-T112 HydrophobicContact CB-CG2 3.74Å; E50-T112 VanDerWaalsContact OE2-CB 3.28Å; E50-T112 WeakPolarHBondContact OE2-CB 3.25Å; T112-T114 VanDerWaalsContact C-N 3.25Å; T112-T114 PolarHBondContact O-N 3.26Å; T112-V115 PolarHBondContact O-N 3.32Å; T112-V115 WeakPolarHBondContact OG1-CG2 3.49Å; T112-K116 PolarHBondContact O-N 3.45Å
113	K	69.6	Low	76.3	Confident	129 Å²	129	48.3 Å²	48.3	56%	0.561	25%	0.247	S	C	*	.	H	α-helix	trans	-55.4	-42.8	-177.3	-170.6	176.2	-179.5	178.7	0	111.9	V53 V115 K116 D117	V53-K113 HydrophobicContact CG2-CB 4.06Å; K113-V115 VanDerWaalsContact C-N 3.28Å; K113-V115 PolarHBondContact O-N 2.96Å; K113-K116 PolarHBondContact O-N 2.72Å; K113-D117 VanDerWaalsContact O-CG 3.31Å; K113-D117 PolarHBondContact O-N 2.91Å
114	T	70.2	Confident	75.1	Confident	65 Å²	65	53 Å²	53	40%	0.399	27%	0.27	S	S	.	.	H	α-helix	trans	-59.7	-37.3	177	-58.9	0	0	0	0	112.5	E50 T112 A118	E50-T114 VanDerWaalsContact CD-OG1 3.22Å; E50-T114 PolarHBondContact OE1-OG1 3.45Å; E50-T114 WeakPolarHBondContact OE2-CB 3.48Å; E50-T114 PolarHBondContact OE2-OG1 3.34Å; E50-T114 VanDerWaalsContact OE2-OG1 3.08Å; T112-T114 VanDerWaalsContact C-N 3.25Å; T112-T114 PolarHBondContact O-N 3.26Å; T114-A118 WeakPolarHBondContact O-CB 3.33Å; T114-A118 PolarHBondContact O-N 3.26Å
115	V	70.7	Confident	73.7	Confident	4 Å²	4	58.7 Å²	58.7	2%	0.024	30%	0.295	C	S	.	.	H	α-helix	trans	-76.4	-41.6	178.7	-179.7	0	0	0	0	110.9	P44 L62 A110 T112 K113 D117 A118 V119	P44-V115 HydrophobicContact CG-CB 4.48Å; P44-V115 HydrophobicContact CG-CG2 3.87Å; L62-V115 HydrophobicContact CB-CG1 4.22Å; L62-V115 HydrophobicContact CD1-CG1 3.74Å; A110-V115 HydrophobicContact CB-CB 4.25Å; A110-V115 HydrophobicContact CB-CG1 3.55Å; T112-V115 PolarHBondContact O-N 3.32Å; T112-V115 WeakPolarHBondContact OG1-CG2 3.49Å; K113-V115 VanDerWaalsContact C-N 3.28Å; K113-V115 PolarHBondContact O-N 2.96Å; V115-D117 PolarHBondContact O-N 3.36Å; V115-A118 PolarHBondContact O-N 2.9Å; V115-V119 HydrophobicContact CG1-CG2 4.38Å; V115-V119 VanDerWaalsContact O-CG2 3.3Å; V115-V119 WeakPolarHBondContact O-CG2 3.08Å; V115-V119 PolarHBondContact O-N 3.45Å
116	K	68.2	Low	72.1	Confident	22 Å²	22	61.9 Å²	61.9	10%	0.096	31%	0.305	C	S	.	.	H	α-helix	trans	-57.6	-49.8	176	-170.7	178.3	179.2	174.3	0	111.1	V53 E56 Y61 T112 K113 A118 V119 Q120	V53-K116 HydrophobicContact CG1-CD 3.98Å; E56-K116 IonicContact OE1-NZ 2.74Å; E56-K116 IonicContact OE2-NZ 3.84Å; E56-K116 PolarHBondContact OE2-NZ 2.91Å; Y61-K116 HydrophobicContact CE1-CD 3.9Å; Y61-K116 HydrophobicContact CE1-CG 4.15Å; Y61-K116 PolarHBondContact OH-NZ 3.42Å; T112-K116 PolarHBondContact O-N 3.45Å; K113-K116 PolarHBondContact O-N 2.72Å; K116-A118 VanDerWaalsContact C-N 3.29Å; K116-A118 PolarHBondContact O-N 3.48Å; K116-V119 PolarHBondContact O-N 2.76Å; K116-V119 VanDerWaalsContact O-N 3.16Å; K116-Q120 PolarHBondContact O-N 2.73Å
117	D	68.3	Low	70.5	Confident	77 Å²	77	63.4 Å²	63.4	41%	0.412	32%	0.316	S	S	.	.	H	α-helix	trans	-63	-34.7	-179.8	-67.3	-11.8	0	0	0	112.5	K113 V115 K121	K113-D117 VanDerWaalsContact O-CG 3.31Å; K113-D117 PolarHBondContact O-N 2.91Å; V115-D117 PolarHBondContact O-N 3.36Å; D117-K121 WeakPolarHBondContact O-CG 3.46Å; D117-K121 PolarHBondContact O-N 3.4Å
118	A	65.8	Low	69	Low	40 Å²	40	61 Å²	61	33%	0.331	31%	0.307	S	S	.	.	H	α-helix	trans	-69.5	-38.7	176.7	0	0	0	0	0	112.2	P44 T114 V115 K116 N122	P44-A118 HydrophobicContact CG-CB 4.24Å; T114-A118 WeakPolarHBondContact O-CB 3.33Å; T114-A118 PolarHBondContact O-N 3.26Å; V115-A118 PolarHBondContact O-N 2.9Å; K116-A118 VanDerWaalsContact C-N 3.29Å; K116-A118 PolarHBondContact O-N 3.48Å; A118-N122 WeakPolarHBondContact O-CB 3.04Å; A118-N122 PolarHBondContact O-N 2.74Å; A118-N122 VanDerWaalsContact O-N 3.1Å
119	V	68.3	Low	67.3	Low	8 Å²	8	64.3 Å²	64.3	5%	0.048	32%	0.324	C	S	.	.	H	α-helix	trans	-69.4	-42.6	177.6	175.7	0	0	0	0	111	T60 L62 V115 K116 K121 N122 S123	T60-V119 HydrophobicContact CG2-CG1 3.73Å; L62-V119 HydrophobicContact CB-CG2 4.11Å; L62-V119 HydrophobicContact CD1-CG2 3.5Å; L62-V119 VanDerWaalsContact CD1-CG2 3.5Å; L62-V119 HydrophobicContact CG-CG2 3.43Å; L62-V119 VanDerWaalsContact CG-CG2 3.43Å; V115-V119 HydrophobicContact CG1-CG2 4.38Å; V115-V119 VanDerWaalsContact O-CG2 3.3Å; V115-V119 WeakPolarHBondContact O-CG2 3.08Å; V115-V119 PolarHBondContact O-N 3.45Å; K116-V119 PolarHBondContact O-N 2.76Å; K116-V119 VanDerWaalsContact O-N 3.16Å; V119-K121 PolarHBondContact O-N 3.25Å; V119-N122 PolarHBondContact O-N 2.87Å; V119-S123 WeakPolarHBondContact O-CB 3.46Å; V119-S123 PolarHBondContact O-N 2.95Å
120	Q	66.9	Low	65.3	Low	65 Å²	65	68 Å²	68	30%	0.304	34%	0.343	S	S	.	.	H	α-helix	trans	-56.8	-50.9	176.8	-151.3	108.2	22.9	0	0	110.7	E59 K116 N122 S123 E124	E59-Q120 PolarHBondContact OE2-NE2 2.94Å; K116-Q120 PolarHBondContact O-N 2.73Å; Q120-N122 VanDerWaalsContact C-N 3.3Å; Q120-N122 PolarHBondContact O-N 3.12Å; Q120-S123 PolarHBondContact O-N 2.81Å; Q120-E124 WeakPolarHBondContact O-CB 3.34Å; Q120-E124 WeakPolarHBondContact O-CG 3.5Å; Q120-E124 PolarHBondContact O-N 3.1Å
121	K	66.5	Low	63.3	Low	150 Å²	150	71.4 Å²	71.4	65%	0.652	37%	0.372	S	S	*	.	H	α-helix	trans	-59.8	-38.6	176.8	-75.4	177.2	-179	175.3	0	112.9	D117 V119 K125	D117-K121 WeakPolarHBondContact O-CG 3.46Å; D117-K121 PolarHBondContact O-N 3.4Å; V119-K121 PolarHBondContact O-N 3.25Å; K121-K125 VanDerWaalsContact O-CB 3.27Å; K121-K125 WeakPolarHBondContact O-CB 3.33Å; K121-K125 PolarHBondContact O-N 2.94Å
122	N	65.6	Low	61.3	Low	86 Å²	86	78 Å²	78	46%	0.46	40%	0.402	S	S	.	.	H	α-helix	trans	-75.5	-33.9	-179.1	-147.8	39.2	0	0	0	111.9	A118 V119 Q120 K125 Y126	A118-N122 WeakPolarHBondContact O-CB 3.04Å; A118-N122 PolarHBondContact O-N 2.74Å; A118-N122 VanDerWaalsContact O-N 3.1Å; V119-N122 PolarHBondContact O-N 2.87Å; Q120-N122 VanDerWaalsContact C-N 3.3Å; Q120-N122 PolarHBondContact O-N 3.12Å; N122-K125 PolarHBondContact O-N 2.85Å; N122-Y126 WeakPolarHBondContact O-CB 3.1Å; N122-Y126 PolarHBondContact O-N 2.82Å
123	S	60.4	Low	59.1	Low	26 Å²	26	83.6 Å²	83.6	18%	0.182	43%	0.427	C	S	.	.	H	α-helix	trans	-66.6	-46.7	173.3	-171.2	0	0	0	0	111.2	V119 Q120 K125 Y126 L127	V119-S123 WeakPolarHBondContact O-CB 3.46Å; V119-S123 PolarHBondContact O-N 2.95Å; Q120-S123 PolarHBondContact O-N 2.81Å; S123-K125 VanDerWaalsContact C-N 3.32Å; S123-K125 PolarHBondContact O-N 2.92Å; S123-Y126 PolarHBondContact O-N 2.81Å; S123-L127 WeakPolarHBondContact O-CB 3.38Å; S123-L127 WeakPolarHBondContact O-CG 3.45Å; S123-L127 PolarHBondContact O-N 3.39Å
124	E	63.4	Low	57.4	Low	119 Å²	119	82.3 Å²	82.3	56%	0.556	43%	0.431	S	S	*	.	H	α-helix	trans	-59.7	-42	173.6	-72.8	172.1	177.1	0	0	111.7	Q120 L127 S128	Q120-E124 WeakPolarHBondContact O-CB 3.34Å; Q120-E124 WeakPolarHBondContact O-CG 3.5Å; Q120-E124 PolarHBondContact O-N 3.1Å; E124-L127 PolarHBondContact O-N 2.9Å; E124-S128 VanDerWaalsContact O-CB 3.31Å; E124-S128 WeakPolarHBondContact O-CB 3.5Å; E124-S128 PolarHBondContact O-N 2.86Å
125	K	62.1	Low	55.8	Low	121 Å²	121	87.7 Å²	87.7	53%	0.526	45%	0.452	S	S	.	.	H	α-helix	trans	-63.2	-43.5	174.9	-170.6	-177.5	-179.2	-164.1	0	112	K121 N122 S123 S128 E129	K121-K125 VanDerWaalsContact O-CB 3.27Å; K121-K125 WeakPolarHBondContact O-CB 3.33Å; K121-K125 PolarHBondContact O-N 2.94Å; N122-K125 PolarHBondContact O-N 2.85Å; S123-K125 VanDerWaalsContact C-N 3.32Å; S123-K125 PolarHBondContact O-N 2.92Å; K125-S128 PolarHBondContact O-N 2.91Å; K125-E129 WeakPolarHBondContact CE-OE1 3.31Å; K125-E129 IonicContact NZ-OE1 3.87Å; K125-E129 WeakPolarHBondContact O-CB 3.27Å; K125-E129 WeakPolarHBondContact O-CG 3.26Å; K125-E129 PolarHBondContact O-N 2.95Å
126	Y	55.5	Low	54.3	Low	111 Å²	111	97.5 Å²	97.5	44%	0.435	49%	0.488	S	S	.	.	H	α-helix	trans	-65.4	-41	177.3	-177	-106.2	0	0	0	112.2	N122 S123 S128 E129 L130	N122-Y126 WeakPolarHBondContact O-CB 3.1Å; N122-Y126 PolarHBondContact O-N 2.82Å; S123-Y126 PolarHBondContact O-N 2.81Å; Y126-S128 VanDerWaalsContact C-N 3.34Å; Y126-E129 PolarHBondContact O-N 3.38Å; Y126-L130 HydrophobicContact CD1-CD1 3.68Å; Y126-L130 HydrophobicContact CE1-CD1 3.31Å; Y126-L130 HydrophobicContact CE1-CG 4.21Å; Y126-L130 HydrophobicContact CG-CD1 4.45Å; Y126-L130 WeakPolarHBondContact O-CB 3.47Å; Y126-L130 WeakPolarHBondContact O-CG 3.26Å; Y126-L130 PolarHBondContact O-N 3.43Å
127	L	53.3	Low	53	Low	106 Å²	106	106.8 Å²	106.8	56%	0.555	53%	0.529	S	S	*	.	H	α-helix	trans	-64.4	-38.1	173.8	-74	165.1	0	0	0	111.8	S123 E124 L130 A131	S123-L127 WeakPolarHBondContact O-CB 3.38Å; S123-L127 WeakPolarHBondContact O-CG 3.45Å; S123-L127 PolarHBondContact O-N 3.39Å; E124-L127 PolarHBondContact O-N 2.9Å; L127-L130 PolarHBondContact O-N 3.37Å; L127-A131 WeakPolarHBondContact O-CB 3.46Å; L127-A131 PolarHBondContact O-N 3.44Å
128	S	54	Low	51.6	Low	57 Å²	57	106.8 Å²	106.8	40%	0.399	53%	0.528	S	S	.	.	H	α-helix	trans	-67.4	-42.9	173.6	-165.6	0	0	0	0	111.9	E124 K125 Y126 L130 A131 E132	E124-S128 VanDerWaalsContact O-CB 3.31Å; E124-S128 WeakPolarHBondContact O-CB 3.5Å; E124-S128 PolarHBondContact O-N 2.86Å; K125-S128 PolarHBondContact O-N 2.91Å; Y126-S128 VanDerWaalsContact C-N 3.34Å; S128-L130 VanDerWaalsContact C-N 3.32Å; S128-L130 PolarHBondContact O-N 2.81Å; S128-A131 PolarHBondContact O-N 2.78Å; S128-A131 VanDerWaalsContact O-N 3.16Å; S128-E132 WeakPolarHBondContact O-CB 3.32Å; S128-E132 WeakPolarHBondContact O-CG 2.99Å; S128-E132 PolarHBondContact O-N 3.39Å
129	E	53.1	Low	50.9	Low	106 Å²	106	108.8 Å²	108.8	50%	0.495	54%	0.536	S	S	.	.	H	α-helix	trans	-67.1	-30.4	176.5	-75.8	176.3	-177.1	0	0	112.6	K125 Y126 Q133	K125-E129 WeakPolarHBondContact CE-OE1 3.31Å; K125-E129 IonicContact NZ-OE1 3.87Å; K125-E129 WeakPolarHBondContact O-CB 3.27Å; K125-E129 WeakPolarHBondContact O-CG 3.26Å; K125-E129 PolarHBondContact O-N 2.95Å; Y126-E129 PolarHBondContact O-N 3.38Å; E129-Q133 WeakPolarHBondContact O-CG 3.41Å
130	L	46.4	Very low	49.6	Very low	86 Å²	86	119.5 Å²	119.5	45%	0.45	58%	0.576	S	S	.	*	H	α-helix	trans	-70.4	-37.2	169.9	-81.8	166	0	0	0	112.2	Y126 L127 S128	Y126-L130 HydrophobicContact CD1-CD1 3.68Å; Y126-L130 HydrophobicContact CE1-CD1 3.31Å; Y126-L130 HydrophobicContact CE1-CG 4.21Å; Y126-L130 HydrophobicContact CG-CD1 4.45Å; Y126-L130 WeakPolarHBondContact O-CB 3.47Å; Y126-L130 WeakPolarHBondContact O-CG 3.26Å; Y126-L130 PolarHBondContact O-N 3.43Å; L127-L130 PolarHBondContact O-N 3.37Å; S128-L130 VanDerWaalsContact C-N 3.32Å; S128-L130 PolarHBondContact O-N 2.81Å
131	A	42.8	Very low	48.3	Very low	86 Å²	86	121.7 Å²	121.7	71%	0.711	59%	0.59	S	S	*	*	H	α-helix	trans	-75.4	-28.1	177.6	0	0	0	0	0	113	L127 S128	L127-A131 WeakPolarHBondContact O-CB 3.46Å; L127-A131 PolarHBondContact O-N 3.44Å; S128-A131 PolarHBondContact O-N 2.78Å; S128-A131 VanDerWaalsContact O-N 3.16Å
132	E	38.3	Very low	47	Very low	148 Å²	148	120.2 Å²	120.2	69%	0.692	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	11.7	-176.7	-72.2	-169.8	161.1	0	0	114.7	S128 P134	S128-E132 WeakPolarHBondContact O-CB 3.32Å; S128-E132 WeakPolarHBondContact O-CG 2.99Å; S128-E132 PolarHBondContact O-N 3.39Å; E132-P134 WeakPolarHBondContact O-CD 3.43Å
133	Q	30.8	Very low	46.1	Very low	144 Å²	144	121.4 Å²	121.4	67%	0.673	59%	0.586	S	S	*	*			trans	-59.7	114.3	174.8	-73.2	-160.6	14.9	0	0	110.2	E129 E135	E129-Q133 WeakPolarHBondContact O-CG 3.41Å; Q133-E135 PolarHBondContact O-N 2.74Å
134	P	35.1	Very low	45.4	Very low	101 Å²	101	128.4 Å²	128.4	66%	0.656	61%	0.608	S	S	*	*			trans	-66	131.9	173.3	27.5	-30.1	0	0	0	106.8	E132 R136	E132-P134 WeakPolarHBondContact O-CD 3.43Å; P134-R136 PolarHBondContact O-N 2.75Å
135	E	35.6	Very low	44.5	Very low	178 Å²	178	128.2 Å²	128.2	83%	0.832	61%	0.606	S	S	*	*			trans	-55.1	91	168	-73.5	-165.9	143.4	0	0	108.6	Q133 K137	Q133-E135 PolarHBondContact O-N 2.74Å; E135-K137 PolarHBondContact O-N 2.86Å
136	R	39	Very low	43.6	Very low	210 Å²	210	127.1 Å²	127.1	79%	0.792	60%	0.602	S	S	*	*			trans	-58.7	118.9	168.5	-72.7	-177.9	178	179.2	0.7	104.7	P134 I138	P134-R136 PolarHBondContact O-N 2.75Å; R136-I138 HydrophobicContact CB-CG1 4.36Å; R136-I138 WeakPolarHBondContact O-CG1 3.47Å; R136-I138 PolarHBondContact O-N 2.89Å
137	K	41.2	Very low	43	Very low	217 Å²	217	125.4 Å²	125.4	94%	0.943	60%	0.601	S	S	*	*			trans	-63	82.6	176.1	-74.6	-178.9	178.3	176.6	0	109.2	E135	E135-K137 PolarHBondContact O-N 2.86Å
138	I	39.5	Very low	42.8	Very low	78 Å²	78	126 Å²	126	40%	0.4	60%	0.6	S	S	.	*			trans	-81.5	137	173.4	-68.5	169.4	0	0	0	107	R136 Q142 K143	R136-I138 HydrophobicContact CB-CG1 4.36Å; R136-I138 WeakPolarHBondContact O-CG1 3.47Å; R136-I138 PolarHBondContact O-N 2.89Å; I138-Q142 HydrophobicContact CG2-CB 3.4Å; I138-Q142 VanDerWaalsContact CG2-CB 3.4Å; I138-K143 HydrophobicContact CB-CB 4.49Å; I138-K143 HydrophobicContact CG2-CB 3.89Å
139	T	50.3	Low	42.4	Very low	81 Å²	81	129 Å²	129	50%	0.497	61%	0.611	S	S	.	*			trans	-61.3	143.4	174.8	61.9	0	0	0	0	110.2	N141 Q142 K143	T139-N141 PolarHBondContact O-N 2.77Å; T139-Q142 PolarHBondContact O-N 3.02Å; T139-Q142 WeakPolarHBondContact OG1-CG 3.4Å; T139-Q142 PolarHBondContact OG1-OE1 3.26Å; T139-K143 PolarHBondContact O-N 2.84Å
140	R	42.2	Very low	41.4	Very low	234 Å²	234	128.3 Å²	128.3	88%	0.883	61%	0.611	S	S	*	*	H	α-helix	trans	-48.9	-30.7	-176.5	-167.5	176.8	-179.3	173.9	1.2	113.9	R144	R140-R144 PolarHBondContact O-N 3.34Å
141	N	39.2	Very low	41.4	Very low	111 Å²	111	128.5 Å²	128.5	59%	0.594	61%	0.609	S	S	*	*	H	α-helix	trans	-79.9	-34.1	179	-155.6	17.4	0	0	0	113.6	T139 K145	T139-N141 PolarHBondContact O-N 2.77Å; N141-K145 PolarHBondContact O-N 3.37Å; N141-K145 VanDerWaalsContact O-N 3.16Å
142	Q	39.9	Very low	41	Very low	118 Å²	118	129.5 Å²	129.5	55%	0.551	61%	0.606	S	S	*	*	H	α-helix	trans	-75.2	-34.1	174.7	-79.2	172.9	-10.7	0	0	111.9	I138 T139 K145 H146	I138-Q142 HydrophobicContact CG2-CB 3.4Å; I138-Q142 VanDerWaalsContact CG2-CB 3.4Å; T139-Q142 PolarHBondContact O-N 3.02Å; T139-Q142 WeakPolarHBondContact OG1-CG 3.4Å; T139-Q142 PolarHBondContact OG1-OE1 3.26Å; Q142-K145 PolarHBondContact O-N 3.33Å; Q142-H146 VanDerWaalsContact O-CB 3.26Å; Q142-H146 WeakPolarHBondContact O-CB 3.19Å; Q142-H146 PolarHBondContact O-N 2.9Å
143	K	45.6	Very low	41	Very low	111 Å²	111	129.2 Å²	129.2	48%	0.483	61%	0.605	S	S	.	*	H	α-helix	trans	-63.1	-46.8	174.1	-175.8	161	-178.2	161.1	0	110.1	I138 T139 K145 H146 D147	I138-K143 HydrophobicContact CB-CB 4.49Å; I138-K143 HydrophobicContact CG2-CB 3.89Å; T139-K143 PolarHBondContact O-N 2.84Å; K143-K145 PolarHBondContact O-N 3.19Å; K143-H146 PolarHBondContact O-N 2.96Å; K143-H146 VanDerWaalsContact O-N 3.14Å; K143-D147 WeakPolarHBondContact CG-OD2 3.17Å; K143-D147 WeakPolarHBondContact O-CB 3.26Å; K143-D147 PolarHBondContact O-N 3.48Å
144	R	47	Very low	41.4	Very low	173 Å²	173	129 Å²	129	65%	0.653	60%	0.602	S	S	*	*	H	α-helix	trans	-57.8	-46.4	174.8	-150	178.7	-167.5	169.7	4.3	113.1	R140 E148	R140-R144 PolarHBondContact O-N 3.34Å; R144-E148 VanDerWaalsContact O-CB 3.26Å; R144-E148 WeakPolarHBondContact O-CB 3.44Å; R144-E148 WeakPolarHBondContact O-CG 3.45Å; R144-E148 PolarHBondContact O-N 2.67Å
145	K	43.7	Very low	41.7	Very low	116 Å²	116	128 Å²	128	50%	0.504	59%	0.593	S	S	.	*	H	α-helix	trans	-64.9	-38.9	175.2	-79.1	-174.3	175.1	-173.1	0	112.8	N141 Q142 K143 I149	N141-K145 PolarHBondContact O-N 3.37Å; N141-K145 VanDerWaalsContact O-N 3.16Å; Q142-K145 PolarHBondContact O-N 3.33Å; K143-K145 PolarHBondContact O-N 3.19Å; K145-I149 HydrophobicContact CB-CD1 4.47Å; K145-I149 VanDerWaalsContact O-CB 3.23Å; K145-I149 WeakPolarHBondContact O-CB 3.47Å; K145-I149 WeakPolarHBondContact O-CD1 3.45Å; K145-I149 WeakPolarHBondContact O-CG1 3.5Å; K145-I149 PolarHBondContact O-N 2.87Å
146	H	42.6	Very low	42	Very low	97 Å²	97	124.6 Å²	124.6	45%	0.449	57%	0.574	S	S	.	*	H	α-helix	trans	-68.1	-43.5	179.2	-171.2	88.4	0	0	0	111.4	Q142 K143 I149 N150	Q142-H146 VanDerWaalsContact O-CB 3.26Å; Q142-H146 WeakPolarHBondContact O-CB 3.19Å; Q142-H146 PolarHBondContact O-N 2.9Å; K143-H146 PolarHBondContact O-N 2.96Å; K143-H146 VanDerWaalsContact O-N 3.14Å; H146-I149 PolarHBondContact O-N 2.88Å; H146-N150 PolarHBondContact CE1-ND2 2.76Å; H146-N150 PolarHBondContact ND1-ND2 2.81Å; H146-N150 PolarHBondContact NE2-ND2 3.22Å; H146-N150 WeakPolarHBondContact O-CB 3.43Å; H146-N150 PolarHBondContact O-N 2.87Å
147	D	42.9	Very low	42.2	Very low	75 Å²	75	119 Å²	119	40%	0.401	57%	0.573	S	S	.	*	H	α-helix	trans	-67.1	-37.2	177.7	-60.2	-19.2	0	0	0	111.2	K143 H151	K143-D147 WeakPolarHBondContact CG-OD2 3.17Å; K143-D147 WeakPolarHBondContact O-CB 3.26Å; K143-D147 PolarHBondContact O-N 3.48Å; D147-H151 PolarHBondContact O-N 3.08Å; D147-H151 VanDerWaalsContact O-N 3.13Å
148	E	49.9	Very low	42.6	Very low	118 Å²	118	114.6 Å²	114.6	55%	0.551	56%	0.556	S	S	*	*	H	α-helix	trans	-69.6	-30.7	173.2	-75.8	169.2	-175.1	0	0	113.4	R144 H151	R144-E148 VanDerWaalsContact O-CB 3.26Å; R144-E148 WeakPolarHBondContact O-CB 3.44Å; R144-E148 WeakPolarHBondContact O-CG 3.45Å; R144-E148 PolarHBondContact O-N 2.67Å; E148-H151 PolarHBondContact O-CE1 3.29Å; E148-H151 PolarHBondContact O-ND1 3.17Å; E148-H151 VanDerWaalsContact O-ND1 3.12Å
149	I	44.3	Very low	43.2	Very low	120 Å²	120	113 Å²	113	62%	0.615	55%	0.547	S	S	*	.	H	α-helix	trans	-86.2	-41.2	-178.7	-70.3	165.5	0	0	0	111.3	K145 H146	K145-I149 HydrophobicContact CB-CD1 4.47Å; K145-I149 VanDerWaalsContact O-CB 3.23Å; K145-I149 WeakPolarHBondContact O-CB 3.47Å; K145-I149 WeakPolarHBondContact O-CD1 3.45Å; K145-I149 WeakPolarHBondContact O-CG1 3.5Å; K145-I149 PolarHBondContact O-N 2.87Å; H146-I149 PolarHBondContact O-N 2.88Å
150	N	33.9	Very low	43.8	Very low	93 Å²	93	112.7 Å²	112.7	50%	0.497	54%	0.542	S	S	.	.	H	α-helix	trans	-96.4	-5.5	-173.1	-72.2	-24.7	0	0	0	114.7	H146 V152	H146-N150 PolarHBondContact CE1-ND2 2.76Å; H146-N150 PolarHBondContact ND1-ND2 2.81Å; H146-N150 PolarHBondContact NE2-ND2 3.22Å; H146-N150 WeakPolarHBondContact O-CB 3.43Å; H146-N150 PolarHBondContact O-N 2.87Å; N150-V152 VanDerWaalsContact C-N 3.35Å; N150-V152 PolarHBondContact O-N 2.72Å
151	H	44.8	Very low	44.7	Very low	90 Å²	90	107 Å²	107	42%	0.417	54%	0.535	S	S	.	.			trans	43.6	60.4	170.5	-78.5	79.8	0	0	0	112.3	D147 E148 Q153 K358	D147-H151 PolarHBondContact O-N 3.08Å; D147-H151 VanDerWaalsContact O-N 3.13Å; E148-H151 PolarHBondContact O-CE1 3.29Å; E148-H151 PolarHBondContact O-ND1 3.17Å; E148-H151 VanDerWaalsContact O-ND1 3.12Å; H151-Q153 PolarHBondContact O-N 2.95Å; H151-K358 PolarHBondContact CD2-NZ 3.45Å; H151-K358 WeakPolarHBondContact NE2-CD 3.27Å; H151-K358 WeakPolarHBondContact NE2-CE 3.43Å; H151-K358 PolarHBondContact NE2-NZ 2.97Å; H151-K358 VanDerWaalsContact NE2-NZ 3.19Å
152	V	36.1	Very low	45.7	Very low	106 Å²	106	106.4 Å²	106.4	64%	0.642	54%	0.536	S	S	*	.			trans	-52.6	114.7	155.8	-177.1	0	0	0	0	104.5	N150 K154	N150-V152 VanDerWaalsContact C-N 3.35Å; N150-V152 PolarHBondContact O-N 2.72Å; V152-K154 PolarHBondContact O-N 2.46Å
153	Q	37.9	Very low	46.5	Very low	142 Å²	142	103.4 Å²	103.4	66%	0.664	53%	0.526	S	S	*	.			trans	-44.5	134	169.8	-81.2	172.7	-38.3	0	0	106.2	H151 T155	H151-Q153 PolarHBondContact O-N 2.95Å; Q153-T155 PolarHBondContact O-N 2.99Å
154	K	37.8	Very low	47.1	Very low	140 Å²	140	98.8 Å²	98.8	61%	0.609	51%	0.508	S	S	*	.			trans	-46	115	168.7	-79.3	-163.7	168.6	-176.3	0	106.2	V152 E158	V152-K154 PolarHBondContact O-N 2.46Å; K154-E158 HydrophobicContact CB-CB 4.22Å; K154-E158 HydrophobicContact CD-CB 4.15Å; K154-E158 WeakPolarHBondContact CD-OE2 3.48Å; K154-E158 WeakPolarHBondContact CE-OE2 3.47Å; K154-E158 HydrophobicContact CG-CB 4.45Å; K154-E158 VanDerWaalsContact CG-OE2 3.28Å; K154-E158 WeakPolarHBondContact CG-OE2 3.34Å
155	T	42	Very low	47.6	Very low	79 Å²	79	93.2 Å²	93.2	49%	0.485	50%	0.5	S	S	.	.			trans	-58	148.5	179.3	40.2	0	0	0	0	106.4	Q153 A157 E158	Q153-T155 PolarHBondContact O-N 2.99Å; T155-A157 PolarHBondContact O-N 2.88Å; T155-E158 PolarHBondContact O-N 3.2Å
156	Y	41.9	Very low	48.3	Very low	107 Å²	107	93 Å²	93	42%	0.42	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-47	-20.7	177.7	-66.9	-80.7	0	0	0	113.8	E158 M159 A164 E171	Y156-E158 VanDerWaalsContact C-N 3.33Å; Y156-E158 PolarHBondContact O-N 2.98Å; Y156-M159 HydrophobicContact CD1-CE 3.68Å; Y156-M159 HydrophobicContact CE1-CE 4.31Å; Y156-M159 HydrophobicContact CG-CE 4.28Å; Y156-A164 HydrophobicContact CD1-CB 4.39Å; Y156-E171 PolarHBondContact OH-OE1 2.76Å; Y156-E171 PolarHBondContact OH-OE2 3.03Å; Y156-E171 VanDerWaalsContact OH-OE2 3.1Å
157	A	43.8	Very low	49.1	Very low	93 Å²	93	92.1 Å²	92.1	77%	0.769	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-64.7	-21	173.1	0	0	0	0	0	116	T155	T155-A157 PolarHBondContact O-N 2.88Å
158	E	49.8	Very low	50	Low	125 Å²	125	95.5 Å²	95.5	58%	0.584	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-98	-2.5	179.9	-65.1	-168.8	179.5	0	0	113.8	K154 T155 Y156	K154-E158 HydrophobicContact CB-CB 4.22Å; K154-E158 HydrophobicContact CD-CB 4.15Å; K154-E158 WeakPolarHBondContact CD-OE2 3.48Å; K154-E158 WeakPolarHBondContact CE-OE2 3.47Å; K154-E158 HydrophobicContact CG-CB 4.45Å; K154-E158 VanDerWaalsContact CG-OE2 3.28Å; K154-E158 WeakPolarHBondContact CG-OE2 3.34Å; T155-E158 PolarHBondContact O-N 3.2Å; Y156-E158 VanDerWaalsContact C-N 3.33Å; Y156-E158 PolarHBondContact O-N 2.98Å
159	M	50.4	Low	50.4	Low	44 Å²	44	95.5 Å²	95.5	22%	0.217	51%	0.51	C	S	.	.	S	Bend	trans	-97.7	153.9	176.7	-67.3	-174.7	-74.8	0	0	110.3	Y156 T163 A164 E167	Y156-M159 HydrophobicContact CD1-CE 3.68Å; Y156-M159 HydrophobicContact CE1-CE 4.31Å; Y156-M159 HydrophobicContact CG-CE 4.28Å; M159-T163 HydrophobicContact SD-CG2 4.48Å; M159-A164 HydrophobicContact CB-CB 4.17Å; M159-E167 WeakPolarHBondContact CE-OE2 3.23Å; M159-E167 VanDerWaalsContact SD-CD 3.57Å
160	D	64.6	Low	51.2	Low	74 Å²	74	92.6 Å²	92.6	40%	0.396	49%	0.494	S	S	.	.			trans	-64.2	148.5	171.2	72.8	88.9	0	0	0	109.8	T162 T163 A164	D160-T162 PolarHBondContact O-N 3.35Å; D160-T162 VanDerWaalsContact O-N 3.12Å; D160-T162 WeakPolarHBondContact OD1-CB 3.31Å; D160-T162 PolarHBondContact OD1-N 3.09Å; D160-T162 VanDerWaalsContact OD1-N 3.16Å; D160-T162 PolarHBondContact OD1-OG1 2.89Å; D160-T163 VanDerWaalsContact CG-OG1 3.26Å; D160-T163 PolarHBondContact O-N 3.44Å; D160-T163 VanDerWaalsContact O-N 3.16Å; D160-T163 PolarHBondContact OD1-N 2.92Å; D160-T163 PolarHBondContact OD1-OG1 2.88Å; D160-T163 WeakPolarHBondContact OD2-CB 3.03Å; D160-T163 PolarHBondContact OD2-OG1 2.94Å; D160-A164 WeakPolarHBondContact O-CB 3.16Å; D160-A164 PolarHBondContact O-N 3.1Å
161	P	59.9	Low	52.6	Low	114 Å²	114	90.1 Å²	90.1	74%	0.74	48%	0.48	S	S	*	.	H	α-helix	trans	-57.8	-31.3	-172.7	-26.3	34.5	0	0	0	114.2	A165	P161-A165 VanDerWaalsContact O-CB 3.27Å; P161-A165 WeakPolarHBondContact O-CB 3.44Å; P161-A165 PolarHBondContact O-N 3.4Å
162	T	60.2	Low	53.4	Low	100 Å²	100	88.8 Å²	88.8	61%	0.613	48%	0.484	S	S	*	.	H	α-helix	trans	-72.4	-46.2	178.4	17.1	0	0	0	0	111.8	D160 A165 L166	D160-T162 PolarHBondContact O-N 3.35Å; D160-T162 VanDerWaalsContact O-N 3.12Å; D160-T162 WeakPolarHBondContact OD1-CB 3.31Å; D160-T162 PolarHBondContact OD1-N 3.09Å; D160-T162 VanDerWaalsContact OD1-N 3.16Å; D160-T162 PolarHBondContact OD1-OG1 2.89Å; T162-A165 PolarHBondContact O-N 3.5Å; T162-L166 WeakPolarHBondContact O-CB 3.41Å; T162-L166 WeakPolarHBondContact O-CG 3.43Å; T162-L166 PolarHBondContact O-N 2.84Å
163	T	56.3	Low	54.6	Low	54 Å²	54	89 Å²	89	33%	0.331	48%	0.48	S	S	.	.	H	α-helix	trans	-64.4	-42.8	174.3	-59.3	0	0	0	0	111.1	M159 D160 A165 L166 E167	M159-T163 HydrophobicContact SD-CG2 4.48Å; D160-T163 VanDerWaalsContact CG-OG1 3.26Å; D160-T163 PolarHBondContact O-N 3.44Å; D160-T163 VanDerWaalsContact O-N 3.16Å; D160-T163 PolarHBondContact OD1-N 2.92Å; D160-T163 PolarHBondContact OD1-OG1 2.88Å; D160-T163 WeakPolarHBondContact OD2-CB 3.03Å; D160-T163 PolarHBondContact OD2-OG1 2.94Å; T163-A165 VanDerWaalsContact C-N 3.33Å; T163-A165 PolarHBondContact O-N 2.77Å; T163-L166 PolarHBondContact O-N 2.88Å; T163-E167 HydrophobicContact CG2-CG 4.35Å; T163-E167 WeakPolarHBondContact O-CB 3.47Å; T163-E167 WeakPolarHBondContact O-CG 3.46Å; T163-E167 PolarHBondContact O-N 3.15Å
164	A	58	Low	55.9	Low	14 Å²	14	83.1 Å²	83.1	12%	0.116	46%	0.455	C	S	.	.	H	α-helix	trans	-62.2	-38.9	176.9	0	0	0	0	0	112.5	Y156 M159 D160 K168	Y156-A164 HydrophobicContact CD1-CB 4.39Å; M159-A164 HydrophobicContact CB-CB 4.17Å; D160-A164 WeakPolarHBondContact O-CB 3.16Å; D160-A164 PolarHBondContact O-N 3.1Å; A164-K168 VanDerWaalsContact O-CB 3.24Å; A164-K168 WeakPolarHBondContact O-CB 3.37Å; A164-K168 PolarHBondContact O-N 2.71Å
165	A	59.3	Low	57.4	Low	57 Å²	57	80.6 Å²	80.6	47%	0.471	44%	0.444	S	S	.	.	H	α-helix	trans	-68.6	-44.2	176.2	0	0	0	0	0	112.2	P161 T162 T163 K168 E169	P161-A165 VanDerWaalsContact O-CB 3.27Å; P161-A165 WeakPolarHBondContact O-CB 3.44Å; P161-A165 PolarHBondContact O-N 3.4Å; T162-A165 PolarHBondContact O-N 3.5Å; T163-A165 VanDerWaalsContact C-N 3.33Å; T163-A165 PolarHBondContact O-N 2.77Å; A165-K168 PolarHBondContact O-N 3.35Å; A165-E169 WeakPolarHBondContact O-CB 3.3Å; A165-E169 PolarHBondContact O-N 2.77Å
166	L	56.7	Low	58.5	Low	112 Å²	112	77.3 Å²	77.3	59%	0.586	42%	0.423	S	S	*	.	H	α-helix	trans	-63.3	-41.3	176	-73.8	169.8	0	0	0	111.7	T162 T163 H170	T162-L166 WeakPolarHBondContact O-CB 3.41Å; T162-L166 WeakPolarHBondContact O-CG 3.43Å; T162-L166 PolarHBondContact O-N 2.84Å; T163-L166 PolarHBondContact O-N 2.88Å; L166-H170 WeakPolarHBondContact O-CB 3.17Å; L166-H170 PolarHBondContact O-N 2.84Å
167	E	59.7	Low	60.2	Low	77 Å²	77	72.8 Å²	72.8	36%	0.36	41%	0.406	S	S	.	.	H	α-helix	trans	-65.9	-41.4	174.7	-75.5	-171.8	178.7	0	0	111.9	M159 T163 H170 E171	M159-E167 WeakPolarHBondContact CE-OE2 3.23Å; M159-E167 VanDerWaalsContact SD-CD 3.57Å; T163-E167 HydrophobicContact CG2-CG 4.35Å; T163-E167 WeakPolarHBondContact O-CB 3.47Å; T163-E167 WeakPolarHBondContact O-CG 3.46Å; T163-E167 PolarHBondContact O-N 3.15Å; E167-H170 PolarHBondContact O-N 2.95Å; E167-E171 VanDerWaalsContact O-CB 3.32Å; E167-E171 WeakPolarHBondContact O-CB 3.35Å; E167-E171 WeakPolarHBondContact O-CG 3.15Å; E167-E171 PolarHBondContact O-N 3.04Å
168	K	62.1	Low	61.6	Low	146 Å²	146	72.1 Å²	72.1	64%	0.635	38%	0.384	S	S	*	.	H	α-helix	trans	-65.7	-39.1	177.1	-172.3	176.3	179.9	179.6	0	112.5	A164 A165 A172	A164-K168 VanDerWaalsContact O-CB 3.24Å; A164-K168 WeakPolarHBondContact O-CB 3.37Å; A164-K168 PolarHBondContact O-N 2.71Å; A165-K168 PolarHBondContact O-N 3.35Å; K168-A172 WeakPolarHBondContact O-CB 3.5Å; K168-A172 PolarHBondContact O-N 2.92Å
169	E	59.4	Low	63.2	Low	118 Å²	118	66.4 Å²	66.4	55%	0.551	36%	0.357	S	S	*	.	H	α-helix	trans	-67.7	-45.2	173.9	-174.1	179.2	-166.5	0	0	111.1	A165 E171 A172 I173	A165-E169 WeakPolarHBondContact O-CB 3.3Å; A165-E169 PolarHBondContact O-N 2.77Å; E169-E171 VanDerWaalsContact C-N 3.35Å; E169-E171 PolarHBondContact O-N 3.13Å; E169-A172 PolarHBondContact O-N 3.23Å; E169-I173 HydrophobicContact CG-CD1 4.03Å; E169-I173 WeakPolarHBondContact O-CG1 3.49Å; E169-I173 PolarHBondContact O-N 3.44Å
170	H	60.4	Low	64.7	Low	59 Å²	59	65.6 Å²	65.6	27%	0.273	35%	0.354	S	S	.	.	H	α-helix	trans	-57.6	-49.8	175.1	-163.6	99.2	0	0	0	110.4	L166 E167 A172 I173 T174	L166-H170 WeakPolarHBondContact O-CB 3.17Å; L166-H170 PolarHBondContact O-N 2.84Å; E167-H170 PolarHBondContact O-N 2.95Å; H170-A172 VanDerWaalsContact C-N 3.31Å; H170-A172 PolarHBondContact O-N 3.32Å; H170-I173 PolarHBondContact O-N 3.29Å; H170-I173 VanDerWaalsContact O-N 3.16Å; H170-T174 WeakPolarHBondContact O-CB 3.36Å; H170-T174 VanDerWaalsContact O-CG2 3.29Å; H170-T174 WeakPolarHBondContact O-CG2 3.48Å; H170-T174 PolarHBondContact O-N 3.17Å; H170-T174 PolarHBondContact O-OG1 2.72Å
171	E	62.7	Low	66	Low	42 Å²	42	65.3 Å²	65.3	20%	0.196	35%	0.349	C	S	.	.	H	α-helix	trans	-58.6	-41.1	176.6	-81	-169.7	-135.6	0	0	112.7	R98 Y156 E167 E169 I173 T174 K175	R98-E171 IonicContact CZ-OE2 2.82Å; R98-E171 IonicContact NH1-OE2 3.18Å; R98-E171 PolarHBondContact NH1-OE2 3.39Å; R98-E171 IonicContact NH2-OE2 3.41Å; R98-E171 PolarHBondContact NH2-OE2 2.85Å; Y156-E171 PolarHBondContact OH-OE1 2.76Å; Y156-E171 PolarHBondContact OH-OE2 3.03Å; Y156-E171 VanDerWaalsContact OH-OE2 3.1Å; E167-E171 VanDerWaalsContact O-CB 3.32Å; E167-E171 WeakPolarHBondContact O-CB 3.35Å; E167-E171 WeakPolarHBondContact O-CG 3.15Å; E167-E171 PolarHBondContact O-N 3.04Å; E169-E171 VanDerWaalsContact C-N 3.35Å; E169-E171 PolarHBondContact O-N 3.13Å; E171-I173 VanDerWaalsContact C-N 3.33Å; E171-I173 PolarHBondContact O-N 3.22Å; E171-T174 PolarHBondContact O-N 2.96Å; E171-K175 WeakPolarHBondContact O-CA 3.05Å; E171-K175 WeakPolarHBondContact O-CB 3.4Å; E171-K175 VanDerWaalsContact O-CG 3.23Å; E171-K175 WeakPolarHBondContact O-CG 3.48Å; E171-K175 PolarHBondContact O-N 3.43Å
172	A	61.3	Low	67.8	Low	62 Å²	62	59.9 Å²	59.9	51%	0.512	31%	0.314	S	S	.	.	H	α-helix	trans	-63.3	-39.1	177.6	0	0	0	0	0	112.2	K168 E169 H170	K168-A172 WeakPolarHBondContact O-CB 3.5Å; K168-A172 PolarHBondContact O-N 2.92Å; E169-A172 PolarHBondContact O-N 3.23Å; H170-A172 VanDerWaalsContact C-N 3.31Å; H170-A172 PolarHBondContact O-N 3.32Å
173	I	61.6	Low	69.6	Low	109 Å²	109	56.7 Å²	56.7	56%	0.559	29%	0.292	S	S	*	.	H	α-helix	trans	-74.7	-36.3	178.5	-64.4	166.9	0	0	0	111.2	E169 H170 E171	E169-I173 HydrophobicContact CG-CD1 4.03Å; E169-I173 WeakPolarHBondContact O-CG1 3.49Å; E169-I173 PolarHBondContact O-N 3.44Å; H170-I173 PolarHBondContact O-N 3.29Å; H170-I173 VanDerWaalsContact O-N 3.16Å; E171-I173 VanDerWaalsContact C-N 3.33Å; E171-I173 PolarHBondContact O-N 3.22Å
174	T	64.8	Low	71.6	Confident	20 Å²	20	54.5 Å²	54.5	12%	0.123	28%	0.278	C	S	.	.	H	α-helix	trans	-93.3	4.8	-175.9	66.1	0	0	0	0	114.2	H170 E171 V176 F194	H170-T174 WeakPolarHBondContact O-CB 3.36Å; H170-T174 VanDerWaalsContact O-CG2 3.29Å; H170-T174 WeakPolarHBondContact O-CG2 3.48Å; H170-T174 PolarHBondContact O-N 3.17Å; H170-T174 PolarHBondContact O-OG1 2.72Å; E171-T174 PolarHBondContact O-N 2.96Å; T174-V176 PolarHBondContact O-N 2.84Å; T174-F194 HydrophobicContact CG2-CD1 3.38Å; T174-F194 HydrophobicContact CG2-CE1 3.86Å; T174-F194 HydrophobicContact CG2-CG 4.2Å; T174-F194 WeakPolarHBondContact O-CB 3.32Å
175	K	69.3	Low	73.4	Confident	87 Å²	87	54 Å²	54	38%	0.378	28%	0.275	S	S	.	.	S	Bend	trans	-58.7	-33.1	-176.3	-109.7	174.8	-170.7	-163.3	0	113.2	Y90 E171	Y90-K175 WeakPolarHBondContact CE1-O 3.13Å; Y90-K175 PolarHBondContact OH-O 2.98Å; E171-K175 WeakPolarHBondContact O-CA 3.05Å; E171-K175 WeakPolarHBondContact O-CB 3.4Å; E171-K175 VanDerWaalsContact O-CG 3.23Å; E171-K175 WeakPolarHBondContact O-CG 3.48Å; E171-K175 PolarHBondContact O-N 3.43Å
176	V	67.1	Low	75.1	Confident	9 Å²	9	58.8 Å²	58.8	6%	0.055	29%	0.292	C	S	.	.	S	Bend	trans	-115.1	122.5	-176	-179.9	0	0	0	0	110.5	I76 Q77 Y90 W103 T174 F194	I76-V176 HydrophobicContact CG2-CG2 3.72Å; Q77-V176 HydrophobicContact CB-CG2 4.06Å; Q77-V176 VanDerWaalsContact OE1-CG2 3.25Å; Y90-V176 HydrophobicContact CD1-CB 4.25Å; Y90-V176 HydrophobicContact CD1-CG1 4.09Å; Y90-V176 HydrophobicContact CD1-CG2 3.76Å; Y90-V176 HydrophobicContact CD2-CG1 3.92Å; Y90-V176 HydrophobicContact CE1-CB 4.38Å; Y90-V176 HydrophobicContact CE1-CG1 4.47Å; Y90-V176 HydrophobicContact CE1-CG2 4.14Å; Y90-V176 HydrophobicContact CE2-CG1 4.29Å; Y90-V176 HydrophobicContact CG-CB 4.43Å; Y90-V176 HydrophobicContact CG-CG1 3.78Å; Y90-V176 HydrophobicContact CG-CG2 4.22Å; W103-V176 HydrophobicContact CH2-CG1 4.07Å; W103-V176 HydrophobicContact CZ2-CG1 3.36Å; T174-V176 PolarHBondContact O-N 2.84Å; V176-F194 WeakPolarHBondContact O-CD2 3.48Å
177	K	76.3	Confident	77	Confident	12 Å²	12	57.5 Å²	57.5	5%	0.052	28%	0.28	C	S	.	.			trans	-78.6	119.8	172.8	-173.7	-174.7	73.1	160.6	0	109.1	Y90 W103 V179 D180 A191	Y90-K177 HydrophobicContact CE2-CB 3.94Å; Y90-K177 PolarHBondContact OH-N 2.82Å; W103-K177 PolarHBondContact NE1-O 2.83Å; K177-V179 WeakPolarHBondContact CD-O 3.39Å; K177-V179 WeakPolarHBondContact CE-O 3.48Å; K177-V179 WeakPolarHBondContact CG-O 3.45Å; K177-D180 VanDerWaalsContact CE-OD1 3.26Å; K177-D180 WeakPolarHBondContact CE-OD1 3.39Å; K177-D180 PolarHBondContact NZ-O 2.83Å; K177-D180 IonicContact NZ-OD1 2.81Å; K177-A191 HydrophobicContact CD-CB 3.71Å; K177-A191 WeakPolarHBondContact CD-O 3.41Å; K177-A191 PolarHBondContact NZ-O 2.85Å
178	Y	73.3	Confident	78.8	Confident	79 Å²	79	58.8 Å²	58.8	31%	0.31	29%	0.286	S	S	.	.			trans	-90.4	-39.6	173.9	-67.3	-75.3	0	0	0	113.1	D180 F194 G202	Y178-D180 PolarHBondContact O-N 2.98Å; Y178-F194 HydrophobicContact CD2-CD2 4.32Å; Y178-F194 HydrophobicContact CD2-CE2 4.16Å; Y178-G202 CarbonylContact C-O 3.49Å; Y178-G202 WeakPolarHBondContact CB-O 3.49Å
179	V	82.8	Confident	80.4	Confident	5 Å²	5	52.3 Å²	52.3	3%	0.03	26%	0.259	C	S	.	.			trans	-82.7	107.8	174.8	179.2	0	0	0	0	109.4	K177 I182 A191 F197 G202 Q204 L207 L269	K177-V179 WeakPolarHBondContact CD-O 3.39Å; K177-V179 WeakPolarHBondContact CE-O 3.48Å; K177-V179 WeakPolarHBondContact CG-O 3.45Å; V179-I182 HydrophobicContact CG1-CG2 4.18Å; V179-A191 WeakPolarHBondContact O-CB 3.49Å; V179-F197 HydrophobicContact CG2-CD2 4.12Å; V179-G202 WeakPolarHBondContact CG2-O 3.38Å; V179-G202 PolarHBondContact N-O 2.88Å; V179-Q204 WeakPolarHBondContact CA-O 3.17Å; V179-L207 HydrophobicContact CB-CD1 4.48Å; V179-L207 HydrophobicContact CG1-CB 4.38Å; V179-L207 HydrophobicContact CG1-CD1 3.91Å; V179-L207 HydrophobicContact CG1-CG 3.92Å; V179-L207 HydrophobicContact CG2-CD1 3.71Å; V179-L207 HydrophobicContact CG2-CG 4.13Å; V179-L269 HydrophobicContact CB-CD2 4.39Å; V179-L269 HydrophobicContact CG1-CD2 4.46Å
180	D	83.6	Confident	82	Confident	28 Å²	28	51.3 Å²	51.3	15%	0.15	26%	0.257	C	S	.	.			trans	-80.3	-41.2	-174.6	-62.9	-42.2	0	0	0	113	R79 K177 Y178 A191 P205	R79-D180 IonicContact CZ-OD2 3.83Å; R79-D180 IonicContact NH1-OD2 2.84Å; R79-D180 PolarHBondContact NH1-OD2 2.85Å; R79-D180 IonicContact NH2-OD2 2.71Å; R79-D180 PolarHBondContact NH2-OD2 2.85Å; K177-D180 VanDerWaalsContact CE-OD1 3.26Å; K177-D180 WeakPolarHBondContact CE-OD1 3.39Å; K177-D180 PolarHBondContact NZ-O 2.83Å; K177-D180 IonicContact NZ-OD1 2.81Å; Y178-D180 PolarHBondContact O-N 2.98Å; D180-A191 PolarHBondContact O-N 2.79Å; D180-P205 WeakPolarHBondContact CA-O 3.33Å; D180-P205 WeakPolarHBondContact CB-O 3.29Å; D180-P205 PolarHBondContact N-O 3.03Å
181	K	92.1	Very high	83.5	Confident	67 Å²	67	48.8 Å²	48.8	29%	0.291	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	151.9	-171.8	-177	175.4	-78.8	-174.2	0	111.2	E188 I189 D190 P205 K206 L207	K181-E188 HydrophobicContact CD-CB 4.11Å; K181-E188 HydrophobicContact CD-CG 4.47Å; K181-E188 WeakPolarHBondContact CD-OE2 3.46Å; K181-E188 HydrophobicContact CG-CB 4.45Å; K181-E188 IonicContact NZ-OE2 2.71Å; K181-E188 PolarHBondContact NZ-OE2 3.29Å; K181-I189 CarbonylContact C-O 3.56Å; K181-I189 WeakPolarHBondContact CA-O 3.21Å; K181-D190 WeakPolarHBondContact CE-OD1 3.34Å; K181-D190 IonicContact NZ-OD1 3.35Å; K181-P205 PolarHBondContact N-O 2.71Å; K181-K206 VanDerWaalsContact O-CA 3.26Å; K181-K206 WeakPolarHBondContact O-CA 3.44Å; K181-L207 PolarHBondContact O-N 3.16Å
182	I	96.9	Very high	84.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	150.9	168.6	64.2	169.9	0	0	0	111	V179 I184 E188 I189 L207 L209 L266 L269 F270	V179-I182 HydrophobicContact CG1-CG2 4.18Å; I182-I184 HydrophobicContact CD1-CG2 4.36Å; I182-E188 CarbonylContact O-C 3.43Å; I182-E188 WeakPolarHBondContact O-CA 3.33Å; I182-I189 HydrophobicContact CD1-CB 4.41Å; I182-I189 HydrophobicContact CD1-CD1 4.43Å; I182-I189 HydrophobicContact CG1-CB 3.86Å; I182-I189 PolarHBondContact N-O 3.48Å; I182-I189 PolarHBondContact O-N 3.36Å; I182-L207 CarbonylContact C-O 3.58Å; I182-L207 VanDerWaalsContact CA-O 3.3Å; I182-L207 WeakPolarHBondContact CA-O 3.2Å; I182-L207 HydrophobicContact CG2-CB 4.3Å; I182-L209 HydrophobicContact CB-CD1 3.97Å; I182-L209 HydrophobicContact CG2-CD1 3.99Å; I182-L266 HydrophobicContact CD1-CD1 3.36Å; I182-L269 HydrophobicContact CD1-CD1 4.25Å; I182-L269 HydrophobicContact CG2-CD1 3.56Å; I182-F270 HydrophobicContact CD1-CE2 4.17Å; I182-F270 HydrophobicContact CD1-CZ 3.94Å
183	H	97.9	Very high	86.1	Confident	33 Å²	33	48.2 Å²	48.2	15%	0.153	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.7	166.6	-176.8	-74.9	0	0	0	109.4	G185 Y187 L207 W208 L209 Y223	H183-G185 PolarHBondContact CE1-O 2.93Å; H183-Y187 CarbonylContact C-O 3.47Å; H183-Y187 WeakPolarHBondContact CA-O 3.37Å; H183-L207 PolarHBondContact N-O 3.24Å; H183-W208 HydrophobicContact CB-CD2 4.12Å; H183-W208 HydrophobicContact CB-CE3 3.58Å; H183-W208 HydrophobicContact CB-CZ3 3.93Å; H183-W208 AromaticContact CD2-CZ3 3.56Å; H183-W208 AromaticContact CG-CE3 3.48Å; H183-W208 VanDerWaalsContact CG-CE3 3.48Å; H183-W208 AromaticContact CG-CZ3 3.51Å; H183-W208 AromaticContact ND1-CE3 3.65Å; H183-W208 AromaticContact ND1-CZ3 3.85Å; H183-W208 AromaticContact NE2-CZ3 3.9Å; H183-L209 PolarHBondContact O-N 3.2Å; H183-Y223 AromaticContact CE1-CE1 3.77Å; H183-Y223 AromaticContact ND1-CE1 3.75Å; H183-Y223 AromaticContact ND1-CZ 3.87Å
184	I	98.2	Very high	87.3	Confident	8 Å²	8	44.7 Å²	44.7	4%	0.041	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	122.7	178.8	-174.7	171	0	0	0	110	I182 N186 Y187 I189 L209 E211 L214 L266 I298	I182-I184 HydrophobicContact CD1-CG2 4.36Å; I184-N186 PolarHBondContact O-N 2.92Å; I184-Y187 PolarHBondContact N-O 2.74Å; I184-Y187 PolarHBondContact O-N 3.08Å; I184-I189 HydrophobicContact CG2-CD1 3.6Å; I184-I189 HydrophobicContact CG2-CG1 4.43Å; I184-L209 HydrophobicContact CB-CB 4.31Å; I184-L209 HydrophobicContact CD1-CB 4.5Å; I184-L209 HydrophobicContact CG1-CB 4.41Å; I184-E211 HydrophobicContact CD1-CB 4.49Å; I184-E211 HydrophobicContact CG1-CB 3.85Å; I184-L214 HydrophobicContact CD1-CD2 4.32Å; I184-L266 HydrophobicContact CD1-CD2 4.12Å; I184-I298 HydrophobicContact CD1-CG2 4.07Å
185	G	95.4	Very high	88.5	Confident	4 Å²	4	43.9 Å²	43.9	4%	0.041	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	-122.6	-171.7	0	0	0	0	0	110.7	H183 E211	H183-G185 PolarHBondContact CE1-O 2.93Å; G185-E211 WeakPolarHBondContact CA-OE1 3.27Å
186	N	95.1	Very high	89.3	Confident	157 Å²	157	40.9 Å²	40.9	84%	0.84	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	14.9	176.9	-62.7	-36.4	0	0	0	113.6	I184	I184-N186 PolarHBondContact O-N 2.92Å
187	Y	97.4	Very high	90.4	Very high	85 Å²	85	40.9 Å²	40.9	33%	0.333	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	136	-175.2	-63.7	-71.1	0	0	0	112.2	H183 I184 P322 Y323	H183-Y187 CarbonylContact C-O 3.47Å; H183-Y187 WeakPolarHBondContact CA-O 3.37Å; I184-Y187 PolarHBondContact N-O 2.74Å; I184-Y187 PolarHBondContact O-N 3.08Å; Y187-P322 HydrophobicContact CD1-CB 3.8Å; Y187-P322 HydrophobicContact CD1-CG 3.82Å; Y187-P322 HydrophobicContact CD2-CB 4.36Å; Y187-P322 HydrophobicContact CD2-CG 4.26Å; Y187-P322 HydrophobicContact CE1-CB 3.77Å; Y187-P322 HydrophobicContact CE1-CG 4.31Å; Y187-P322 HydrophobicContact CE2-CB 4.32Å; Y187-P322 HydrophobicContact CG-CB 4.11Å; Y187-P322 HydrophobicContact CG-CG 3.79Å; Y187-Y323 HydrophobicContact CE2-CE2 4.32Å; Y187-Y323 AromaticContact CE2-CZ 3.88Å; Y187-Y323 WeakPolarHBondContact CE2-OH 3.34Å
188	E	97.1	Very high	90.8	Very high	105 Å²	105	43 Å²	43	49%	0.491	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	130.4	156.2	-68.9	-163.4	165.2	0	0	109.3	K181 I182 K206	K181-E188 HydrophobicContact CD-CB 4.11Å; K181-E188 HydrophobicContact CD-CG 4.47Å; K181-E188 WeakPolarHBondContact CD-OE2 3.46Å; K181-E188 HydrophobicContact CG-CB 4.45Å; K181-E188 IonicContact NZ-OE2 2.71Å; K181-E188 PolarHBondContact NZ-OE2 3.29Å; I182-E188 CarbonylContact O-C 3.43Å; I182-E188 WeakPolarHBondContact O-CA 3.33Å; E188-K206 IonicContact OE1-NZ 3.64Å; E188-K206 PolarHBondContact OE1-NZ 3.19Å
189	I	96.1	Very high	90.8	Very high	10 Å²	10	45.7 Å²	45.7	5%	0.051	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	124.4	-173.5	-49.2	172.9	0	0	0	109	K181 I182 I184 F270 P321 P322	K181-I189 CarbonylContact C-O 3.56Å; K181-I189 WeakPolarHBondContact CA-O 3.21Å; I182-I189 HydrophobicContact CD1-CB 4.41Å; I182-I189 HydrophobicContact CD1-CD1 4.43Å; I182-I189 HydrophobicContact CG1-CB 3.86Å; I182-I189 PolarHBondContact N-O 3.48Å; I182-I189 PolarHBondContact O-N 3.36Å; I184-I189 HydrophobicContact CG2-CD1 3.6Å; I184-I189 HydrophobicContact CG2-CG1 4.43Å; I189-F270 HydrophobicContact CB-CZ 4.42Å; I189-F270 HydrophobicContact CG2-CE1 3.7Å; I189-F270 HydrophobicContact CG2-CZ 3.65Å; I189-P321 HydrophobicContact CG2-CB 3.92Å; I189-P321 HydrophobicContact CG2-CG 3.66Å; I189-P322 HydrophobicContact CD1-CG 3.67Å; I189-P322 HydrophobicContact CG1-CG 3.88Å
190	D	93	Very high	90.7	Very high	97 Å²	97	50.5 Å²	50.5	52%	0.519	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	130.2	173.1	-57.8	-43	0	0	0	110.1	K181	K181-D190 WeakPolarHBondContact CE-OD1 3.34Å; K181-D190 IonicContact NZ-OD1 3.35Å
191	A	92.2	Very high	90.5	Very high	5 Å²	5	52.1 Å²	52.1	4%	0.041	25%	0.254	C	S	.	.			trans	-75.2	145	176.8	0	0	0	0	0	111.1	K177 V179 D180 L269	K177-A191 HydrophobicContact CD-CB 3.71Å; K177-A191 WeakPolarHBondContact CD-O 3.41Å; K177-A191 PolarHBondContact NZ-O 2.85Å; V179-A191 WeakPolarHBondContact O-CB 3.49Å; D180-A191 PolarHBondContact O-N 2.79Å; A191-L269 HydrophobicContact CB-CB 3.99Å; A191-L269 HydrophobicContact CB-CD1 4.49Å; A191-L269 HydrophobicContact CB-CD2 3.66Å; A191-L269 HydrophobicContact CB-CG 4.26Å
192	W	90.1	Very high	89.5	Confident	63 Å²	63	49.4 Å²	49.4	24%	0.239	25%	0.245	C	C	.	.			trans	-97.1	-32.7	-177.6	-61.7	-8.8	0	0	0	112.1	R99 L269 F270 P321	R99-W192 WeakPolarHBondContact CA-O 3.41Å; R99-W192 HydrophobicContact CB-CB 3.97Å; R99-W192 HydrophobicContact CB-CG 4.36Å; W192-L269 WeakPolarHBondContact CA-O 3.3Å; W192-L269 WeakPolarHBondContact CB-O 3.27Å; W192-L269 PolarHBondContact N-O 3.29Å; W192-F270 HydrophobicContact CD2-CD1 4.01Å; W192-F270 HydrophobicContact CE3-CB 4.22Å; W192-F270 HydrophobicContact CE3-CD1 4.4Å; W192-F270 HydrophobicContact CG-CD1 4.09Å; W192-P321 HydrophobicContact CZ2-CB 4.25Å; W192-P321 HydrophobicContact CZ2-CG 4.03Å
193	Y	88.1	Confident	88.4	Confident	29 Å²	29	55.3 Å²	55.3	11%	0.114	27%	0.27	C	S	.	.	S	Bend	trans	-133.6	161.2	-175	-54.7	-74.6	0	0	0	110.8	R99 L269 D272	R99-Y193 HydrophobicContact CB-CE1 4.23Å; Y193-L269 PolarHBondContact N-O 3.06Å; Y193-D272 HydrophobicContact CD1-CB 3.92Å; Y193-D272 HydrophobicContact CD2-CB 4.38Å; Y193-D272 HydrophobicContact CE1-CB 3.63Å; Y193-D272 VanDerWaalsContact CE1-CG 3.45Å; Y193-D272 HydrophobicContact CE2-CB 4.11Å; Y193-D272 HydrophobicContact CG-CB 4.29Å
194	F	86.9	Confident	87.4	Confident	35 Å²	35	55.4 Å²	55.4	15%	0.154	27%	0.271	C	S	.	.			trans	-58.9	139.4	167.7	168.7	-90.7	0	0	0	111.1	T174 V176 Y178 P196 K268	T174-F194 HydrophobicContact CG2-CD1 3.38Å; T174-F194 HydrophobicContact CG2-CE1 3.86Å; T174-F194 HydrophobicContact CG2-CG 4.2Å; T174-F194 WeakPolarHBondContact O-CB 3.32Å; V176-F194 WeakPolarHBondContact O-CD2 3.48Å; Y178-F194 HydrophobicContact CD2-CD2 4.32Å; Y178-F194 HydrophobicContact CD2-CE2 4.16Å; F194-P196 HydrophobicContact CE1-CB 3.84Å; F194-P196 HydrophobicContact CE1-CG 4.43Å; F194-P196 HydrophobicContact CZ-CB 4Å; F194-K268 WeakPolarHBondContact O-CG 3.4Å; F194-K268 PolarHBondContact O-NZ 3.38Å
195	S	88.9	Confident	86.5	Confident	4 Å²	4	56.6 Å²	56.6	3%	0.028	28%	0.279	C	S	.	.			trans	-130.5	135	168.7	-178.7	0	0	0	0	110.4	F197 L265 L269	S195-F197 PolarHBondContact O-N 2.79Å; S195-F197 WeakPolarHBondContact OG-CE2 3.44Å; S195-L265 WeakPolarHBondContact CB-O 3.49Å; S195-L265 PolarHBondContact OG-O 2.59Å; S195-L269 VanDerWaalsContact CB-CD2 3.45Å
196	P	87.9	Confident	86.2	Confident	23 Å²	23	58.6 Å²	58.6	15%	0.149	29%	0.286	C	S	.	.			trans	-80.9	58.8	-173.4	34	-35.6	0	0	0	111.9	F194 L265 Y277	F194-P196 HydrophobicContact CE1-CB 3.84Å; F194-P196 HydrophobicContact CE1-CG 4.43Å; F194-P196 HydrophobicContact CZ-CB 4Å; P196-L265 HydrophobicContact CG-CD2 4.02Å; P196-L265 WeakPolarHBondContact O-CD2 3.4Å; P196-Y277 HydrophobicContact CB-CE2 4.07Å; P196-Y277 HydrophobicContact CG-CD1 3.97Å; P196-Y277 HydrophobicContact CG-CD2 3.65Å; P196-Y277 HydrophobicContact CG-CE1 3.74Å; P196-Y277 HydrophobicContact CG-CE2 3.36Å; P196-Y277 HydrophobicContact CG-CG 3.94Å; P196-Y277 VanDerWaalsContact CG-CZ 3.45Å
197	F	88.3	Confident	86.2	Confident	10 Å²	10	51.1 Å²	51.1	4%	0.044	25%	0.246	C	C	.	.			trans	-60	147.1	165.5	-71.5	-83.8	0	0	0	109.4	V179 S195 E199 L207 Y216 L265 L269	V179-F197 HydrophobicContact CG2-CD2 4.12Å; S195-F197 PolarHBondContact O-N 2.79Å; S195-F197 WeakPolarHBondContact OG-CE2 3.44Å; F197-E199 PolarHBondContact O-N 3.02Å; F197-L207 HydrophobicContact CB-CD1 4.39Å; F197-L207 HydrophobicContact CD1-CD1 3.84Å; F197-L207 HydrophobicContact CD2-CD1 3.79Å; F197-L207 HydrophobicContact CE1-CD1 4Å; F197-L207 HydrophobicContact CE2-CD1 3.96Å; F197-L207 HydrophobicContact CG-CD1 3.73Å; F197-L207 HydrophobicContact CZ-CD1 4.05Å; F197-Y216 AromaticContact CD1-CD1 3.97Å; F197-Y216 HydrophobicContact CD1-CD1 3.97Å; F197-Y216 HydrophobicContact CD1-CD2 4.1Å; F197-Y216 HydrophobicContact CD1-CE1 4.2Å; F197-Y216 HydrophobicContact CD1-CE2 4.34Å; F197-Y216 AromaticContact CD1-CG 3.92Å; F197-Y216 HydrophobicContact CD1-CG 3.92Å; F197-Y216 AromaticContact CE1-CD1 3.73Å; F197-Y216 HydrophobicContact CE1-CD1 3.73Å; F197-Y216 HydrophobicContact CE1-CD2 4.49Å; F197-Y216 HydrophobicContact CE1-CE1 4.28Å; F197-Y216 AromaticContact CE1-CG 3.85Å; F197-Y216 HydrophobicContact CE1-CG 3.85Å; F197-L265 HydrophobicContact CD1-CB 4.18Å; F197-L265 HydrophobicContact CD1-CD1 4.01Å; F197-L265 HydrophobicContact CE1-CB 3.65Å; F197-L265 HydrophobicContact CE1-CD1 4.15Å; F197-L265 HydrophobicContact CE1-CG 4.45Å; F197-L265 HydrophobicContact CE2-CB 4.38Å; F197-L265 HydrophobicContact CZ-CB 3.77Å; F197-L269 HydrophobicContact CE2-CD1 3.9Å; F197-L269 HydrophobicContact CE2-CD2 3.96Å; F197-L269 HydrophobicContact CE2-CG 3.98Å; F197-L269 HydrophobicContact CZ-CD1 4.17Å
198	P	86.3	Confident	86.2	Confident	55 Å²	55	48.2 Å²	48.2	36%	0.357	24%	0.235	S	C	.	.			trans	-49.8	141.9	178	-26.3	33.8	0	0	0	111.3	D200 Y201 G202 Y216	P198-D200 PolarHBondContact O-N 3.42Å; P198-Y201 HydrophobicContact CB-CD2 4.16Å; P198-Y201 WeakPolarHBondContact O-CA 3.49Å; P198-Y201 WeakPolarHBondContact O-CB 3.13Å; P198-Y201 PolarHBondContact O-N 3.05Å; P198-G202 PolarHBondContact O-N 3.21Å; P198-Y216 HydrophobicContact CG-CE2 4.38Å
199	E	71.8	Confident	86.3	Confident	137 Å²	137	43.2 Å²	43.2	64%	0.64	21%	0.212	S	C	*	.	H	α-helix	trans	-47.4	-43.8	-162.1	-168	179.6	169.6	0	0	114.2	F197 Y201 G202 K203	F197-E199 PolarHBondContact O-N 3.02Å; E199-Y201 PolarHBondContact O-N 3.19Å; E199-G202 PolarHBondContact O-N 3.37Å; E199-K203 PolarHBondContact O-N 2.99Å; E199-K203 WeakPolarHBondContact OE1-CE 3.24Å; E199-K203 IonicContact OE1-NZ 2.68Å; E199-K203 PolarHBondContact OE1-NZ 3.41Å
200	D	80.4	Confident	86.4	Confident	105 Å²	105	42.8 Å²	42.8	56%	0.561	21%	0.209	S	C	*	.	H	α-helix	trans	-53.3	-29.4	174.1	-104.7	37.4	0	0	0	116.4	P198 K218	P198-D200 PolarHBondContact O-N 3.42Å; D200-K218 VanDerWaalsContact CG-NZ 3.3Å; D200-K218 WeakPolarHBondContact O-CE 3.39Å; D200-K218 PolarHBondContact O-NZ 2.85Å; D200-K218 IonicContact OD2-NZ 2.98Å; D200-K218 PolarHBondContact OD2-NZ 3.16Å
201	Y	81.2	Confident	86.7	Confident	63 Å²	63	39.6 Å²	39.6	25%	0.247	19%	0.191	C	C	.	.	H	α-helix	trans	-102.1	-35.5	179.1	-66	-98.8	0	0	0	111.1	P198 E199 K203 Q204 L207 Y216 K218	P198-Y201 HydrophobicContact CB-CD2 4.16Å; P198-Y201 WeakPolarHBondContact O-CA 3.49Å; P198-Y201 WeakPolarHBondContact O-CB 3.13Å; P198-Y201 PolarHBondContact O-N 3.05Å; E199-Y201 PolarHBondContact O-N 3.19Å; Y201-K203 PolarHBondContact O-N 3.26Å; Y201-Q204 WeakPolarHBondContact O-CB 3.35Å; Y201-Q204 PolarHBondContact O-N 2.85Å; Y201-L207 HydrophobicContact CD1-CD2 4.05Å; Y201-Y216 AromaticContact CD1-CD2 3.65Å; Y201-Y216 HydrophobicContact CD1-CD2 3.65Å; Y201-Y216 HydrophobicContact CD1-CE2 4.07Å; Y201-Y216 HydrophobicContact CD2-CE2 4.22Å; Y201-Y216 AromaticContact CE1-CD2 3.82Å; Y201-Y216 HydrophobicContact CE1-CD2 3.82Å; Y201-Y216 HydrophobicContact CE1-CE2 4.14Å; Y201-Y216 HydrophobicContact CE2-CE2 4.32Å; Y201-Y216 HydrophobicContact CG-CD2 4.06Å; Y201-Y216 HydrophobicContact CG-CE2 4.1Å; Y201-K218 HydrophobicContact CD1-CD 4.37Å; Y201-K218 HydrophobicContact CD1-CG 3.44Å; Y201-K218 VanDerWaalsContact CD1-CG 3.44Å; Y201-K218 HydrophobicContact CE1-CD 4.34Å; Y201-K218 HydrophobicContact CE1-CG 3.44Å; Y201-K218 VanDerWaalsContact CE1-CG 3.44Å; Y201-K218 HydrophobicContact CG-CG 4.15Å
202	G	69.9	Low	87	Confident	9 Å²	9	40 Å²	40	9%	0.093	19%	0.192	C	C	.	.	H	α-helix	trans	-55.2	-38.5	179.5	0	0	0	0	0	112.1	Y178 V179 P198 E199 Q204	Y178-G202 CarbonylContact C-O 3.49Å; Y178-G202 WeakPolarHBondContact CB-O 3.49Å; V179-G202 WeakPolarHBondContact CG2-O 3.38Å; V179-G202 PolarHBondContact N-O 2.88Å; P198-G202 PolarHBondContact O-N 3.21Å; E199-G202 PolarHBondContact O-N 3.37Å; G202-Q204 VanDerWaalsContact C-N 3.26Å; G202-Q204 PolarHBondContact O-N 3.16Å
203	K	73.9	Confident	87.4	Confident	124 Å²	124	37.9 Å²	37.9	54%	0.539	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-2.2	-179.7	-63.7	174.2	-174.4	168.8	0	115	E199 Y201	E199-K203 PolarHBondContact O-N 2.99Å; E199-K203 WeakPolarHBondContact OE1-CE 3.24Å; E199-K203 IonicContact OE1-NZ 2.68Å; E199-K203 PolarHBondContact OE1-NZ 3.41Å; Y201-K203 PolarHBondContact O-N 3.26Å
204	Q	77.6	Confident	87.9	Confident	36 Å²	36	36.5 Å²	36.5	17%	0.168	18%	0.181	C	C	.	.			trans	-83.9	133.5	-179	-60	-59.9	-46.8	0	0	110.6	V179 Y201 G202 K206 L207 K218	V179-Q204 WeakPolarHBondContact CA-O 3.17Å; Y201-Q204 WeakPolarHBondContact O-CB 3.35Å; Y201-Q204 PolarHBondContact O-N 2.85Å; G202-Q204 VanDerWaalsContact C-N 3.26Å; G202-Q204 PolarHBondContact O-N 3.16Å; Q204-K206 PolarHBondContact O-N 3.13Å; Q204-L207 HydrophobicContact CB-CD2 4.12Å; Q204-L207 HydrophobicContact CG-CD2 4.46Å; Q204-K218 HydrophobicContact CG-CB 4.44Å; Q204-K218 HydrophobicContact CG-CG 4.34Å
205	P	79.1	Confident	88.4	Confident	32 Å²	32	39.7 Å²	39.7	21%	0.208	20%	0.195	C	C	.	.	S	Bend	trans	-65.3	-27.2	177.6	26.6	-34.3	0	0	0	111.8	D180 K181	D180-P205 WeakPolarHBondContact CA-O 3.33Å; D180-P205 WeakPolarHBondContact CB-O 3.29Å; D180-P205 PolarHBondContact N-O 3.03Å; K181-P205 PolarHBondContact N-O 2.71Å
206	K	89.3	Confident	88.8	Confident	46 Å²	46	41.4 Å²	41.4	20%	0.2	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	131.9	178.8	-174.5	176.3	173.2	-176.4	0	111.9	K181 E188 Q204 W208	K181-K206 VanDerWaalsContact O-CA 3.26Å; K181-K206 WeakPolarHBondContact O-CA 3.44Å; E188-K206 IonicContact OE1-NZ 3.64Å; E188-K206 PolarHBondContact OE1-NZ 3.19Å; Q204-K206 PolarHBondContact O-N 3.13Å; K206-W208 HydrophobicContact CD-CZ2 4.06Å
207	L	95.5	Very high	89.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	147.4	169	-68.2	-179.7	0	0	0	111.9	V179 K181 I182 H183 F197 Y201 Q204 L209	V179-L207 HydrophobicContact CB-CD1 4.48Å; V179-L207 HydrophobicContact CG1-CB 4.38Å; V179-L207 HydrophobicContact CG1-CD1 3.91Å; V179-L207 HydrophobicContact CG1-CG 3.92Å; V179-L207 HydrophobicContact CG2-CD1 3.71Å; V179-L207 HydrophobicContact CG2-CG 4.13Å; K181-L207 PolarHBondContact O-N 3.16Å; I182-L207 CarbonylContact C-O 3.58Å; I182-L207 VanDerWaalsContact CA-O 3.3Å; I182-L207 WeakPolarHBondContact CA-O 3.2Å; I182-L207 HydrophobicContact CG2-CB 4.3Å; H183-L207 PolarHBondContact N-O 3.24Å; F197-L207 HydrophobicContact CB-CD1 4.39Å; F197-L207 HydrophobicContact CD1-CD1 3.84Å; F197-L207 HydrophobicContact CD2-CD1 3.79Å; F197-L207 HydrophobicContact CE1-CD1 4Å; F197-L207 HydrophobicContact CE2-CD1 3.96Å; F197-L207 HydrophobicContact CG-CD1 3.73Å; F197-L207 HydrophobicContact CZ-CD1 4.05Å; Y201-L207 HydrophobicContact CD1-CD2 4.05Å; Q204-L207 HydrophobicContact CB-CD2 4.12Å; Q204-L207 HydrophobicContact CG-CD2 4.46Å; L207-L209 HydrophobicContact CB-CD1 3.85Å
208	W	97.4	Very high	89.3	Confident	24 Å²	24	42.1 Å²	42.1	9%	0.091	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	118.2	178.2	-57.3	80.1	0	0	0	109.7	H183 K206 Y216 M217 E220 Y223	H183-W208 HydrophobicContact CB-CD2 4.12Å; H183-W208 HydrophobicContact CB-CE3 3.58Å; H183-W208 HydrophobicContact CB-CZ3 3.93Å; H183-W208 AromaticContact CD2-CZ3 3.56Å; H183-W208 AromaticContact CG-CE3 3.48Å; H183-W208 VanDerWaalsContact CG-CE3 3.48Å; H183-W208 AromaticContact CG-CZ3 3.51Å; H183-W208 AromaticContact ND1-CE3 3.65Å; H183-W208 AromaticContact ND1-CZ3 3.85Å; H183-W208 AromaticContact NE2-CZ3 3.9Å; K206-W208 HydrophobicContact CD-CZ2 4.06Å; W208-Y216 CarbonylContact O-C 3.45Å; W208-Y216 WeakPolarHBondContact O-CA 3.36Å; W208-M217 HydrophobicContact CB-CB 4.29Å; W208-M217 PolarHBondContact N-O 2.91Å; W208-M217 PolarHBondContact O-N 3.19Å; W208-E220 HydrophobicContact CD2-CB 4.27Å; W208-E220 HydrophobicContact CD2-CG 4.47Å; W208-E220 HydrophobicContact CE3-CB 4.48Å; W208-E220 HydrophobicContact CE3-CG 4.19Å; W208-E220 HydrophobicContact CH2-CB 3.74Å; W208-E220 VanDerWaalsContact CH2-CD 3.45Å; W208-E220 HydrophobicContact CH2-CG 3.44Å; W208-E220 VanDerWaalsContact CH2-CG 3.44Å; W208-E220 HydrophobicContact CZ2-CB 3.49Å; W208-E220 VanDerWaalsContact CZ2-CB 3.49Å; W208-E220 HydrophobicContact CZ2-CG 3.78Å; W208-E220 HydrophobicContact CZ3-CB 4.25Å; W208-E220 HydrophobicContact CZ3-CG 3.68Å; W208-Y223 HydrophobicContact CB-CD1 4.49Å; W208-Y223 HydrophobicContact CB-CD2 4Å; W208-Y223 HydrophobicContact CB-CG 3.81Å; W208-Y223 HydrophobicContact CD2-CD1 4.4Å; W208-Y223 HydrophobicContact CD2-CG 4.49Å; W208-Y223 AromaticContact CE3-CD1 3.61Å; W208-Y223 HydrophobicContact CE3-CD1 3.61Å; W208-Y223 HydrophobicContact CE3-CE1 4.08Å; W208-Y223 HydrophobicContact CE3-CG 4.09Å; W208-Y223 HydrophobicContact CG-CG 4.42Å; W208-Y223 HydrophobicContact CZ3-CD1 4.26Å
209	L	98.5	Very high	89.6	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.7	-176.5	-73.2	74.9	0	0	0	110.5	I182 H183 I184 L207 E211 K215 Y223 L266	I182-L209 HydrophobicContact CB-CD1 3.97Å; I182-L209 HydrophobicContact CG2-CD1 3.99Å; H183-L209 PolarHBondContact O-N 3.2Å; I184-L209 HydrophobicContact CB-CB 4.31Å; I184-L209 HydrophobicContact CD1-CB 4.5Å; I184-L209 HydrophobicContact CG1-CB 4.41Å; L207-L209 HydrophobicContact CB-CD1 3.85Å; L209-E211 PolarHBondContact O-N 3.14Å; L209-K215 WeakPolarHBondContact CA-O 3.41Å; L209-Y223 WeakPolarHBondContact O-CE2 3.46Å; L209-L266 HydrophobicContact CD2-CB 4.22Å; L209-L266 HydrophobicContact CD2-CD1 3.88Å; L209-L266 HydrophobicContact CD2-CD2 4.33Å; L209-L266 HydrophobicContact CD2-CG 4.37Å
210	C	98.6	Very high	90.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.198	C	C	.	.			trans	-66.6	125.5	166.2	-177.7	0	0	0	0	109.7	Y212 C213 L214 K215 M217 H226	C210-Y212 PolarHBondContact O-N 3.25Å; C210-C213 VanDerWaalsContact CB-SG 3.6Å; C210-L214 WeakPolarHBondContact O-CA 3.45Å; C210-L214 PolarHBondContact O-N 2.95Å; C210-K215 PolarHBondContact N-O 3.37Å; C210-M217 HydrophobicContact CB-CE 4.4Å; C210-H226 WeakPolarHBondContact CB-NE2 3.38Å; C210-H226 PolarHBondContact SG-NE2 3.08Å; C210-H226 VanDerWaalsContact SG-NE2 3.35Å
211	E	98.3	Very high	91.5	Very high	30 Å²	30	46.6 Å²	46.6	14%	0.14	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-18.5	-178.3	67.2	-173.8	122.6	0	0	114	I184 G185 L209 H297	I184-E211 HydrophobicContact CD1-CB 4.49Å; I184-E211 HydrophobicContact CG1-CB 3.85Å; G185-E211 WeakPolarHBondContact CA-OE1 3.27Å; L209-E211 PolarHBondContact O-N 3.14Å; E211-H297 IonicContact OE2-CE1 3.98Å; E211-H297 IonicContact OE2-CG 3.8Å; E211-H297 IonicContact OE2-ND1 2.94Å; E211-H297 PolarHBondContact OE2-ND1 2.97Å
212	Y	98.5	Very high	92.2	Very high	14 Å²	14	45.8 Å²	45.8	6%	0.055	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-48.2	-178	-55.5	-62.4	0	0	0	113.2	C210 W232 R233 Y259 H297	C210-Y212 PolarHBondContact O-N 3.25Å; Y212-W232 VanDerWaalsContact CB-O 3.29Å; Y212-W232 WeakPolarHBondContact CB-O 3.1Å; Y212-W232 WeakPolarHBondContact CD2-O 3.28Å; Y212-W232 VanDerWaalsContact CG-O 3.27Å; Y212-R233 VanDerWaalsContact CD1-C 3.43Å; Y212-R233 VanDerWaalsContact CE2-CD 3.5Å; Y212-Y259 WeakPolarHBondContact O-CE2 3.43Å; Y212-H297 PolarHBondContact OH-CE1 3.5Å; Y212-H297 VanDerWaalsContact OH-CE1 3.27Å
213	C	98.4	Very high	93.5	Very high	19 Å²	19	45.9 Å²	45.9	13%	0.128	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-3.2	-178	78.1	0	0	0	0	113.8	C210 K215 H226 W232	C210-C213 VanDerWaalsContact CB-SG 3.6Å; C213-K215 PolarHBondContact O-N 3.16Å; C213-K215 VanDerWaalsContact SG-CB 3.55Å; C213-H226 PolarHBondContact SG-NE2 3.38Å; C213-W232 HydrophobicContact CB-CB 4.31Å; C213-W232 HydrophobicContact CB-CG 4.11Å
214	L	98.6	Very high	94.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.209	C	C	.	.			trans	60.8	9.5	179.6	-52.9	179.6	0	0	0	115.3	I184 C210 Y216 Y259 N262 L263 L266 I298	I184-L214 HydrophobicContact CD1-CD2 4.32Å; C210-L214 WeakPolarHBondContact O-CA 3.45Å; C210-L214 PolarHBondContact O-N 2.95Å; L214-Y216 PolarHBondContact O-N 3.47Å; L214-Y259 HydrophobicContact CB-CE2 4.42Å; L214-Y259 HydrophobicContact CD1-CD2 4.23Å; L214-Y259 HydrophobicContact CD1-CE1 4.13Å; L214-Y259 HydrophobicContact CD1-CE2 3.63Å; L214-Y259 HydrophobicContact CG-CD2 4.27Å; L214-Y259 HydrophobicContact CG-CE2 3.67Å; L214-N262 HydrophobicContact CB-CB 3.68Å; L214-N262 WeakPolarHBondContact O-CB 3.29Å; L214-L263 HydrophobicContact CD1-CB 3.66Å; L214-L263 HydrophobicContact CD1-CD1 3.82Å; L214-L263 HydrophobicContact CD1-CG 4.29Å; L214-L266 HydrophobicContact CD2-CD2 4.16Å; L214-I298 HydrophobicContact CD1-CD1 4.33Å; L214-I298 HydrophobicContact CD2-CD1 4.33Å; L214-I298 HydrophobicContact CD2-CG2 4.33Å
215	K	98.1	Very high	95.6	Very high	101 Å²	101	52 Å²	52	44%	0.439	23%	0.231	S	C	.	.			trans	-57.9	125.7	173.6	-176.9	179	178	68.9	0	109.5	L209 C210 C213 M217	L209-K215 WeakPolarHBondContact CA-O 3.41Å; C210-K215 PolarHBondContact N-O 3.37Å; C213-K215 PolarHBondContact O-N 3.16Å; C213-K215 VanDerWaalsContact SG-CB 3.55Å; K215-M217 HydrophobicContact CG-CE 4.48Å; K215-M217 VanDerWaalsContact O-CE 3.27Å; K215-M217 WeakPolarHBondContact O-CE 3.31Å
216	Y	96.4	Very high	96.6	Very high	41 Å²	41	52 Å²	52	16%	0.161	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	145.9	173.1	52	-93.4	0	0	0	111.2	F197 P198 Y201 W208 L214 N262 L265	F197-Y216 AromaticContact CD1-CD1 3.97Å; F197-Y216 HydrophobicContact CD1-CD1 3.97Å; F197-Y216 HydrophobicContact CD1-CD2 4.1Å; F197-Y216 HydrophobicContact CD1-CE1 4.2Å; F197-Y216 HydrophobicContact CD1-CE2 4.34Å; F197-Y216 AromaticContact CD1-CG 3.92Å; F197-Y216 HydrophobicContact CD1-CG 3.92Å; F197-Y216 AromaticContact CE1-CD1 3.73Å; F197-Y216 HydrophobicContact CE1-CD1 3.73Å; F197-Y216 HydrophobicContact CE1-CD2 4.49Å; F197-Y216 HydrophobicContact CE1-CE1 4.28Å; F197-Y216 AromaticContact CE1-CG 3.85Å; F197-Y216 HydrophobicContact CE1-CG 3.85Å; P198-Y216 HydrophobicContact CG-CE2 4.38Å; Y201-Y216 AromaticContact CD1-CD2 3.65Å; Y201-Y216 HydrophobicContact CD1-CD2 3.65Å; Y201-Y216 HydrophobicContact CD1-CE2 4.07Å; Y201-Y216 HydrophobicContact CD2-CE2 4.22Å; Y201-Y216 AromaticContact CE1-CD2 3.82Å; Y201-Y216 HydrophobicContact CE1-CD2 3.82Å; Y201-Y216 HydrophobicContact CE1-CE2 4.14Å; Y201-Y216 HydrophobicContact CE2-CE2 4.32Å; Y201-Y216 HydrophobicContact CG-CD2 4.06Å; Y201-Y216 HydrophobicContact CG-CE2 4.1Å; W208-Y216 CarbonylContact O-C 3.45Å; W208-Y216 WeakPolarHBondContact O-CA 3.36Å; L214-Y216 PolarHBondContact O-N 3.47Å; Y216-N262 WeakPolarHBondContact CE1-OD1 3.5Å; Y216-L265 HydrophobicContact CE1-CD1 3.76Å
217	M	96.3	Very high	96.9	Very high	9 Å²	9	52.7 Å²	52.7	4%	0.044	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	148.8	-175.8	-74.7	156.9	-76.6	0	0	110.1	W208 C210 K215 Y223 H226	W208-M217 HydrophobicContact CB-CB 4.29Å; W208-M217 PolarHBondContact N-O 2.91Å; W208-M217 PolarHBondContact O-N 3.19Å; C210-M217 HydrophobicContact CB-CE 4.4Å; K215-M217 HydrophobicContact CG-CE 4.48Å; K215-M217 VanDerWaalsContact O-CE 3.27Å; K215-M217 WeakPolarHBondContact O-CE 3.31Å; M217-Y223 HydrophobicContact CE-CD2 3.67Å; M217-Y223 VanDerWaalsContact SD-CA 3.55Å; M217-H226 HydrophobicContact CE-CB 4.14Å; M217-H226 HydrophobicContact SD-CB 3.51Å; M217-H226 VanDerWaalsContact SD-CB 3.51Å
218	K	91.9	Very high	97	Very high	38 Å²	38	55.6 Å²	55.6	17%	0.165	26%	0.263	C	S	.	.	S	Bend	trans	-76.9	-37.2	-179.6	-56	-171.5	-171.6	-174.2	0	113.1	D200 Y201 Q204	D200-K218 VanDerWaalsContact CG-NZ 3.3Å; D200-K218 WeakPolarHBondContact O-CE 3.39Å; D200-K218 PolarHBondContact O-NZ 2.85Å; D200-K218 IonicContact OD2-NZ 2.98Å; D200-K218 PolarHBondContact OD2-NZ 3.16Å; Y201-K218 HydrophobicContact CD1-CD 4.37Å; Y201-K218 HydrophobicContact CD1-CG 3.44Å; Y201-K218 VanDerWaalsContact CD1-CG 3.44Å; Y201-K218 HydrophobicContact CE1-CD 4.34Å; Y201-K218 HydrophobicContact CE1-CG 3.44Å; Y201-K218 VanDerWaalsContact CE1-CG 3.44Å; Y201-K218 HydrophobicContact CG-CG 4.15Å; Q204-K218 HydrophobicContact CG-CB 4.44Å; Q204-K218 HydrophobicContact CG-CG 4.34Å
219	Y	92.5	Very high	97	Very high	140 Å²	140	60.1 Å²	60.1	55%	0.549	29%	0.285	S	S	.	.			trans	-122.1	148.7	-167.3	-51.7	-62.5	0	0	0	112.3	K221 S222 Y223	Y219-K221 VanDerWaalsContact C-N 3.28Å; Y219-K221 PolarHBondContact O-N 3.28Å; Y219-S222 PolarHBondContact O-N 2.84Å; Y219-S222 PolarHBondContact O-OG 2.81Å; Y219-Y223 PolarHBondContact O-N 3.09Å
220	E	94.8	Very high	97	Very high	78 Å²	78	60.5 Å²	60.5	36%	0.364	29%	0.288	S	S	.	.	H	α-helix	trans	-61.2	-38.4	175.5	-167.2	176.8	-176.5	0	0	112.3	W208 S222 Y223 R224	W208-E220 HydrophobicContact CD2-CB 4.27Å; W208-E220 HydrophobicContact CD2-CG 4.47Å; W208-E220 HydrophobicContact CE3-CB 4.48Å; W208-E220 HydrophobicContact CE3-CG 4.19Å; W208-E220 HydrophobicContact CH2-CB 3.74Å; W208-E220 VanDerWaalsContact CH2-CD 3.45Å; W208-E220 HydrophobicContact CH2-CG 3.44Å; W208-E220 VanDerWaalsContact CH2-CG 3.44Å; W208-E220 HydrophobicContact CZ2-CB 3.49Å; W208-E220 VanDerWaalsContact CZ2-CB 3.49Å; W208-E220 HydrophobicContact CZ2-CG 3.78Å; W208-E220 HydrophobicContact CZ3-CB 4.25Å; W208-E220 HydrophobicContact CZ3-CG 3.68Å; E220-S222 PolarHBondContact O-N 3.43Å; E220-Y223 WeakPolarHBondContact O-CB 3.43Å; E220-Y223 PolarHBondContact O-N 2.99Å; E220-R224 VanDerWaalsContact CD-CZ 3.4Å; E220-R224 HydrophobicContact CG-CG 4.32Å; E220-R224 WeakPolarHBondContact O-CG 3.26Å; E220-R224 PolarHBondContact O-N 3.26Å; E220-R224 IonicContact OE1-CZ 3.22Å; E220-R224 VanDerWaalsContact OE1-CZ 3.22Å; E220-R224 IonicContact OE1-NE 3.14Å; E220-R224 PolarHBondContact OE1-NE 2.81Å; E220-R224 VanDerWaalsContact OE1-NE 3.14Å; E220-R224 IonicContact OE1-NH2 2.87Å; E220-R224 PolarHBondContact OE1-NH2 2.84Å; E220-R224 IonicContact OE2-CZ 3.76Å; E220-R224 IonicContact OE2-NH2 2.64Å; E220-R224 PolarHBondContact OE2-NH2 2.95Å
221	K	95.9	Very high	97	Very high	173 Å²	173	68.2 Å²	68.2	75%	0.752	32%	0.324	S	S	*	.	H	α-helix	trans	-59.3	-45.3	178.5	-69.8	-176.7	-179.3	176.8	0	111.8	Y219 F225	Y219-K221 VanDerWaalsContact C-N 3.28Å; Y219-K221 PolarHBondContact O-N 3.28Å; K221-F225 WeakPolarHBondContact O-CB 3.42Å; K221-F225 PolarHBondContact O-N 2.81Å
222	S	97	Very high	97	Very high	46 Å²	46	72.7 Å²	72.7	32%	0.322	34%	0.34	S	S	.	.	H	α-helix	trans	-70.8	-33.5	177.9	51.8	0	0	0	0	111.9	Y219 E220 H226	Y219-S222 PolarHBondContact O-N 2.84Å; Y219-S222 PolarHBondContact O-OG 2.81Å; E220-S222 PolarHBondContact O-N 3.43Å; S222-H226 VanDerWaalsContact O-CB 3.31Å; S222-H226 WeakPolarHBondContact O-CB 3.33Å; S222-H226 PolarHBondContact O-N 2.87Å
223	Y	97.7	Very high	97	Very high	12 Å²	12	77 Å²	77	5%	0.047	36%	0.356	C	S	.	.	H	α-helix	trans	-61.2	-52.1	171.2	174.4	-112.9	0	0	0	113	H183 W208 L209 M217 Y219 E220 F225 H226 L227	H183-Y223 AromaticContact CE1-CE1 3.77Å; H183-Y223 AromaticContact ND1-CE1 3.75Å; H183-Y223 AromaticContact ND1-CZ 3.87Å; W208-Y223 HydrophobicContact CB-CD1 4.49Å; W208-Y223 HydrophobicContact CB-CD2 4Å; W208-Y223 HydrophobicContact CB-CG 3.81Å; W208-Y223 HydrophobicContact CD2-CD1 4.4Å; W208-Y223 HydrophobicContact CD2-CG 4.49Å; W208-Y223 AromaticContact CE3-CD1 3.61Å; W208-Y223 HydrophobicContact CE3-CD1 3.61Å; W208-Y223 HydrophobicContact CE3-CE1 4.08Å; W208-Y223 HydrophobicContact CE3-CG 4.09Å; W208-Y223 HydrophobicContact CG-CG 4.42Å; W208-Y223 HydrophobicContact CZ3-CD1 4.26Å; L209-Y223 WeakPolarHBondContact O-CE2 3.46Å; M217-Y223 HydrophobicContact CE-CD2 3.67Å; M217-Y223 VanDerWaalsContact SD-CA 3.55Å; Y219-Y223 PolarHBondContact O-N 3.09Å; E220-Y223 WeakPolarHBondContact O-CB 3.43Å; E220-Y223 PolarHBondContact O-N 2.99Å; Y223-F225 VanDerWaalsContact C-N 3.32Å; Y223-F225 PolarHBondContact O-N 3.42Å; Y223-H226 WeakPolarHBondContact O-CB 3.41Å; Y223-H226 PolarHBondContact O-N 3.27Å; Y223-H226 VanDerWaalsContact O-N 3.11Å; Y223-L227 HydrophobicContact CD1-CD1 4.23Å; Y223-L227 HydrophobicContact CD2-CG 4.43Å; Y223-L227 HydrophobicContact CE1-CD1 3.62Å; Y223-L227 HydrophobicContact CE1-CG 4.27Å; Y223-L227 HydrophobicContact CE2-CD1 4.21Å; Y223-L227 HydrophobicContact CE2-CD2 3.97Å; Y223-L227 HydrophobicContact CE2-CG 4.03Å; Y223-L227 WeakPolarHBondContact O-CG 3.38Å; Y223-L227 PolarHBondContact O-N 3.16Å
224	R	97.6	Very high	97	Very high	143 Å²	143	80.5 Å²	80.5	54%	0.54	37%	0.37	S	S	.	.	H	α-helix	trans	-61.9	-40.6	178.2	-66	-172.8	-153.3	138.6	-7.8	111.9	E220 H226 L227 G228	E220-R224 VanDerWaalsContact CD-CZ 3.4Å; E220-R224 HydrophobicContact CG-CG 4.32Å; E220-R224 WeakPolarHBondContact O-CG 3.26Å; E220-R224 PolarHBondContact O-N 3.26Å; E220-R224 IonicContact OE1-CZ 3.22Å; E220-R224 VanDerWaalsContact OE1-CZ 3.22Å; E220-R224 IonicContact OE1-NE 3.14Å; E220-R224 PolarHBondContact OE1-NE 2.81Å; E220-R224 VanDerWaalsContact OE1-NE 3.14Å; E220-R224 IonicContact OE1-NH2 2.87Å; E220-R224 PolarHBondContact OE1-NH2 2.84Å; E220-R224 IonicContact OE2-CZ 3.76Å; E220-R224 IonicContact OE2-NH2 2.64Å; E220-R224 PolarHBondContact OE2-NH2 2.95Å; R224-H226 VanDerWaalsContact C-N 3.35Å; R224-L227 PolarHBondContact O-N 2.85Å; R224-G228 PolarHBondContact O-N 3.05Å
225	F	98.3	Very high	97	Very high	146 Å²	146	80.7 Å²	80.7	64%	0.64	37%	0.371	S	S	*	.	H	α-helix	trans	-60.5	-45.3	173.2	-179.1	-97.1	0	0	0	111.4	K221 Y223 L227 G228 Q229	K221-F225 WeakPolarHBondContact O-CB 3.42Å; K221-F225 PolarHBondContact O-N 2.81Å; Y223-F225 VanDerWaalsContact C-N 3.32Å; Y223-F225 PolarHBondContact O-N 3.42Å; F225-L227 PolarHBondContact O-N 2.9Å; F225-G228 PolarHBondContact O-N 2.95Å; F225-Q229 HydrophobicContact CD1-CG 4.35Å; F225-Q229 HydrophobicContact CE1-CG 3.91Å; F225-Q229 HydrophobicContact CE2-CG 4.43Å; F225-Q229 HydrophobicContact CZ-CG 3.95Å; F225-Q229 WeakPolarHBondContact O-CG 3.5Å; F225-Q229 PolarHBondContact O-N 2.93Å
226	H	98.4	Very high	97	Very high	31 Å²	31	76.2 Å²	76.2	14%	0.144	35%	0.353	C	S	.	.	H	α-helix	trans	-60.7	-41.9	176.3	176.8	76.9	0	0	0	112.5	C210 C213 M217 S222 Y223 R224 G228 Q229 C230	C210-H226 WeakPolarHBondContact CB-NE2 3.38Å; C210-H226 PolarHBondContact SG-NE2 3.08Å; C210-H226 VanDerWaalsContact SG-NE2 3.35Å; C213-H226 PolarHBondContact SG-NE2 3.38Å; M217-H226 HydrophobicContact CE-CB 4.14Å; M217-H226 HydrophobicContact SD-CB 3.51Å; M217-H226 VanDerWaalsContact SD-CB 3.51Å; S222-H226 VanDerWaalsContact O-CB 3.31Å; S222-H226 WeakPolarHBondContact O-CB 3.33Å; S222-H226 PolarHBondContact O-N 2.87Å; Y223-H226 WeakPolarHBondContact O-CB 3.41Å; Y223-H226 PolarHBondContact O-N 3.27Å; Y223-H226 VanDerWaalsContact O-N 3.11Å; R224-H226 VanDerWaalsContact C-N 3.35Å; H226-G228 PolarHBondContact O-N 2.96Å; H226-Q229 PolarHBondContact O-N 2.98Å; H226-C230 WeakPolarHBondContact O-CB 3.36Å; H226-C230 PolarHBondContact O-N 2.95Å
227	L	97.3	Very high	97.1	Very high	61 Å²	61	76.1 Å²	76.1	32%	0.319	36%	0.364	S	S	.	.	H	α-helix	trans	-59.1	-35.5	176.7	-70.5	-178.5	0	0	0	112.7	Y223 R224 F225 Q229	Y223-L227 HydrophobicContact CD1-CD1 4.23Å; Y223-L227 HydrophobicContact CD2-CG 4.43Å; Y223-L227 HydrophobicContact CE1-CD1 3.62Å; Y223-L227 HydrophobicContact CE1-CG 4.27Å; Y223-L227 HydrophobicContact CE2-CD1 4.21Å; Y223-L227 HydrophobicContact CE2-CD2 3.97Å; Y223-L227 HydrophobicContact CE2-CG 4.03Å; Y223-L227 WeakPolarHBondContact O-CG 3.38Å; Y223-L227 PolarHBondContact O-N 3.16Å; R224-L227 PolarHBondContact O-N 2.85Å; F225-L227 PolarHBondContact O-N 2.9Å; L227-Q229 VanDerWaalsContact C-N 3.33Å
228	G	96.9	Very high	97.2	Very high	60 Å²	60	81.4 Å²	81.4	62%	0.619	39%	0.387	S	S	*	.	H	α-helix	trans	-72.4	-21.6	175.5	0	0	0	0	0	114.6	R224 F225 H226	R224-G228 PolarHBondContact O-N 3.05Å; F225-G228 PolarHBondContact O-N 2.95Å; H226-G228 PolarHBondContact O-N 2.96Å
229	Q	98.1	Very high	97.5	Very high	119 Å²	119	83.2 Å²	83.2	56%	0.556	40%	0.396	S	S	*	.	H	α-helix	trans	-104.7	-28.6	-177	-63.9	-60	-51.8	0	0	113.4	F225 H226 L227 Q231	F225-Q229 HydrophobicContact CD1-CG 4.35Å; F225-Q229 HydrophobicContact CE1-CG 3.91Å; F225-Q229 HydrophobicContact CE2-CG 4.43Å; F225-Q229 HydrophobicContact CZ-CG 3.95Å; F225-Q229 WeakPolarHBondContact O-CG 3.5Å; F225-Q229 PolarHBondContact O-N 2.93Å; H226-Q229 PolarHBondContact O-N 2.98Å; L227-Q229 VanDerWaalsContact C-N 3.33Å; Q229-Q231 PolarHBondContact O-N 2.81Å; Q229-Q231 PolarHBondContact O-NE2 2.99Å
230	C	97.9	Very high	97.8	Very high	9 Å²	9	76.6 Å²	76.6	6%	0.061	37%	0.37	C	S	.	.			trans	-66.7	122.5	-175.1	-173.6	0	0	0	0	110.6	H226 R233	H226-C230 WeakPolarHBondContact O-CB 3.36Å; H226-C230 PolarHBondContact O-N 2.95Å; C230-R233 PolarHBondContact O-NH1 2.95Å
231	Q	97.8	Very high	98	Very high	162 Å²	162	73 Å²	73	76%	0.757	35%	0.353	S	S	*	.			trans	-88.8	-9.7	178.2	-55.8	-55.2	-48.5	0	0	113.1	Q229	Q229-Q231 PolarHBondContact O-N 2.81Å; Q229-Q231 PolarHBondContact O-NE2 2.99Å
232	W	98.3	Very high	98.1	Very high	125 Å²	125	69.8 Å²	69.8	47%	0.473	34%	0.336	S	S	.	.			trans	-73.4	131.1	179.7	-63.7	95.7	0	0	0	110.9	Y212 C213 P236	Y212-W232 VanDerWaalsContact CB-O 3.29Å; Y212-W232 WeakPolarHBondContact CB-O 3.1Å; Y212-W232 WeakPolarHBondContact CD2-O 3.28Å; Y212-W232 VanDerWaalsContact CG-O 3.27Å; C213-W232 HydrophobicContact CB-CB 4.31Å; C213-W232 HydrophobicContact CB-CG 4.11Å; W232-P236 HydrophobicContact CH2-CB 4.04Å; W232-P236 HydrophobicContact CZ3-CB 3.88Å
233	R	98.4	Very high	98.2	Very high	105 Å²	105	71.7 Å²	71.7	40%	0.396	34%	0.339	S	S	.	.	S	Bend	trans	-129.2	13.4	171.9	-66.9	-61	-178.7	-83.8	-2.1	112.9	Y212 C230 Q294 G295 A296	Y212-R233 VanDerWaalsContact CD1-C 3.43Å; Y212-R233 VanDerWaalsContact CE2-CD 3.5Å; C230-R233 PolarHBondContact O-NH1 2.95Å; R233-Q294 WeakPolarHBondContact CD-O 3.3Å; R233-G295 CarbonylContact O-C 3.56Å; R233-G295 VanDerWaalsContact O-CA 3.22Å; R233-G295 WeakPolarHBondContact O-CA 3.43Å; R233-A296 PolarHBondContact O-N 3.27Å
234	Q	98.6	Very high	98.1	Very high	91 Å²	91	76 Å²	76	43%	0.425	37%	0.37	S	S	.	.	S	Bend	trans	-161.2	162.7	177.8	57	-175.4	68.3	0	0	108.8	Y249 A296	Q234-Y249 HydrophobicContact CB-CE1 4.19Å; Q234-Y249 HydrophobicContact CG-CE1 4.37Å; Q234-A296 HydrophobicContact CB-CB 3.78Å
235	P	98.7	Very high	98.1	Very high	4 Å²	4	72.4 Å²	72.4	3%	0.026	36%	0.362	C	S	.	.			trans	-53.7	151.9	168.1	-25.3	35.3	0	0	0	111.6	Y249 I287 T289	P235-Y249 HydrophobicContact CB-CD1 4.3Å; P235-Y249 HydrophobicContact CB-CD2 4.09Å; P235-Y249 HydrophobicContact CB-CG 3.84Å; P235-Y249 HydrophobicContact CG-CD2 3.7Å; P235-Y249 HydrophobicContact CG-CE2 4.17Å; P235-Y249 HydrophobicContact CG-CG 4Å; P235-I287 HydrophobicContact CB-CB 4.23Å; P235-I287 HydrophobicContact CB-CG1 4.32Å; P235-I287 HydrophobicContact CB-CG2 4.27Å; P235-I287 HydrophobicContact CG-CB 4.07Å; P235-I287 HydrophobicContact CG-CG2 3.72Å; P235-T289 HydrophobicContact CG-CG2 3.57Å
236	P	98.5	Very high	98.1	Very high	7 Å²	7	66.1 Å²	66.1	5%	0.045	34%	0.335	C	S	.	.	S	Bend	trans	-67.4	-172.1	168.8	33.5	-36.4	0	0	0	110.6	W232 V251 H256 Y259	W232-P236 HydrophobicContact CH2-CB 4.04Å; W232-P236 HydrophobicContact CZ3-CB 3.88Å; P236-V251 HydrophobicContact CG-CG1 4.02Å; P236-V251 HydrophobicContact CG-CG2 4.49Å; P236-V251 VanDerWaalsContact O-CG2 3.3Å; P236-V251 WeakPolarHBondContact O-CG2 3.45Å; P236-H256 HydrophobicContact CG-CB 4.17Å; P236-Y259 VanDerWaalsContact CD-CE2 3.47Å; P236-Y259 HydrophobicContact CG-CD1 3.66Å; P236-Y259 HydrophobicContact CG-CD2 3.87Å; P236-Y259 HydrophobicContact CG-CE1 4.09Å; P236-Y259 HydrophobicContact CG-CE2 4.27Å; P236-Y259 HydrophobicContact CG-CG 3.54Å
237	G	97.8	Very high	98.1	Very high	39 Å²	39	64.6 Å²	64.6	40%	0.402	33%	0.328	S	S	.	.	S	Bend	trans	73.7	-152.6	179.6	0	0	0	0	0	113.1	E250 H256	G237-E250 WeakPolarHBondContact CA-O 3.25Å; G237-H256 PolarHBondContact N-NE2 3.4Å
238	K	98.4	Very high	98.2	Very high	121 Å²	121	61.7 Å²	61.7	53%	0.526	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	126.4	-168.6	-174.7	-178.8	176.2	-171.1	0	111.3	I240 Y249 E250	K238-I240 HydrophobicContact CB-CG2 4.23Å; K238-I240 HydrophobicContact CD-CG2 3.92Å; K238-I240 HydrophobicContact CG-CG2 3.91Å; K238-I240 PolarHBondContact O-N 3.21Å; K238-I240 VanDerWaalsContact O-N 3.12Å; K238-Y249 CarbonylContact O-C 3.52Å; K238-Y249 VanDerWaalsContact O-CA 3.27Å; K238-Y249 WeakPolarHBondContact O-CA 3.08Å; K238-E250 PolarHBondContact N-O 3.16Å; K238-E250 PolarHBondContact O-N 3.37Å
239	E	98.7	Very high	98.3	Very high	75 Å²	75	59 Å²	59	35%	0.35	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	106.3	167.1	-167.6	-175	-144.3	0	0	108.8	R242 S247 Y249	E239-R242 WeakPolarHBondContact OE1-CD 3.24Å; E239-R242 IonicContact OE1-CZ 2.59Å; E239-R242 IonicContact OE1-NH1 3.35Å; E239-R242 PolarHBondContact OE1-NH1 2.94Å; E239-S247 WeakPolarHBondContact OE1-CB 3.48Å; E239-S247 PolarHBondContact OE1-OG 2.63Å; E239-Y249 HydrophobicContact CB-CD1 4.01Å; E239-Y249 HydrophobicContact CB-CE1 3.7Å; E239-Y249 HydrophobicContact CG-CE1 4.13Å
240	I	98.7	Very high	98.3	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-10.2	-177.7	58.9	158.5	0	0	0	112.4	K238 V248 E250 Y286 F335 L339 L443 K444 W445	K238-I240 HydrophobicContact CB-CG2 4.23Å; K238-I240 HydrophobicContact CD-CG2 3.92Å; K238-I240 HydrophobicContact CG-CG2 3.91Å; K238-I240 PolarHBondContact O-N 3.21Å; K238-I240 VanDerWaalsContact O-N 3.12Å; I240-V248 WeakPolarHBondContact CG1-O 3.31Å; I240-V248 PolarHBondContact N-O 2.82Å; I240-E250 HydrophobicContact CD1-CB 4.01Å; I240-E250 HydrophobicContact CG1-CB 4.15Å; I240-E250 HydrophobicContact CG2-CB 3.83Å; I240-Y286 HydrophobicContact CD1-CD1 3.83Å; I240-Y286 HydrophobicContact CD1-CE1 3.71Å; I240-F335 HydrophobicContact CD1-CE1 3.87Å; I240-F335 HydrophobicContact CD1-CZ 3.72Å; I240-F335 HydrophobicContact CG1-CZ 4.16Å; I240-L339 HydrophobicContact CD1-CD2 4.5Å; I240-L443 HydrophobicContact CD1-CD1 4.25Å; I240-K444 PolarHBondContact O-N 3.49Å; I240-W445 HydrophobicContact CD1-CG 4.36Å
241	Y	98.8	Very high	98.4	Very high	4 Å²	4	55 Å²	55	2%	0.016	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	134.7	176.7	178.8	-86.9	0	0	0	110.2	K243 I246 S247 V248 F331 F335 V438 D439 C442 L443	Y241-K243 HydrophobicContact CE1-CB 3.87Å; Y241-I246 HydrophobicContact CE1-CG2 4.31Å; Y241-S247 CarbonylContact O-C 3.53Å; Y241-S247 VanDerWaalsContact O-CA 3.23Å; Y241-S247 WeakPolarHBondContact O-CA 3.41Å; Y241-V248 HydrophobicContact CD1-CG2 4.18Å; Y241-V248 HydrophobicContact CG-CG2 4.45Å; Y241-V248 PolarHBondContact N-O 3.22Å; Y241-V248 PolarHBondContact O-N 3.25Å; Y241-F331 HydrophobicContact CD1-CZ 4.13Å; Y241-F331 HydrophobicContact CE1-CE2 4.15Å; Y241-F331 AromaticContact CE1-CZ 3.65Å; Y241-F331 HydrophobicContact CE1-CZ 3.65Å; Y241-F331 AromaticContact CZ-CZ 3.98Å; Y241-F335 AromaticContact CD2-CE2 3.84Å; Y241-F335 HydrophobicContact CD2-CE2 3.84Å; Y241-F335 AromaticContact CG-CE2 3.76Å; Y241-F335 HydrophobicContact CG-CE2 3.76Å; Y241-V438 HydrophobicContact CD2-CG1 4.44Å; Y241-V438 HydrophobicContact CE2-CG1 3.85Å; Y241-D439 VanDerWaalsContact CE2-O 3.31Å; Y241-D439 WeakPolarHBondContact CE2-O 3.38Å; Y241-D439 PolarHBondContact OH-N 2.89Å; Y241-C442 HydrophobicContact CD2-CB 3.96Å; Y241-C442 HydrophobicContact CE2-CB 3.66Å; Y241-L443 HydrophobicContact CD2-CB 4.16Å
242	R	98.3	Very high	98.4	Very high	105 Å²	105	49.3 Å²	49.3	40%	0.396	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	121.6	171.8	-178.8	59.4	170.3	-100.5	0.8	110.6	E239 S244 S247 C442	E239-R242 WeakPolarHBondContact OE1-CD 3.24Å; E239-R242 IonicContact OE1-CZ 2.59Å; E239-R242 IonicContact OE1-NH1 3.35Å; E239-R242 PolarHBondContact OE1-NH1 2.94Å; R242-S244 PolarHBondContact NE-O 3.5Å; R242-S247 WeakPolarHBondContact CD-OG 3.49Å; R242-S247 PolarHBondContact NE-OG 3.46Å; R242-S247 PolarHBondContact NH1-OG 3.21Å; R242-C442 WeakPolarHBondContact O-CB 3.31Å
243	K	98	Very high	98.3	Very high	85 Å²	85	43.3 Å²	43.3	37%	0.37	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	117.3	169.6	-176.6	169.5	179.3	168.7	0	109.9	Y241 N245 I246 D439 C442	Y241-K243 HydrophobicContact CE1-CB 3.87Å; K243-N245 PolarHBondContact O-N 3.16Å; K243-I246 PolarHBondContact N-O 2.97Å; K243-I246 PolarHBondContact O-N 2.73Å; K243-D439 HydrophobicContact CD-CB 3.66Å; K243-D439 IonicContact NZ-OD2 2.63Å; K243-D439 PolarHBondContact NZ-OD2 2.66Å; K243-C442 HydrophobicContact CB-CB 4.32Å
244	S	96.6	Very high	98.2	Very high	102 Å²	102	44.8 Å²	44.8	71%	0.713	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	-124.8	-173.4	-169.9	0	0	0	0	110.8	R242	R242-S244 PolarHBondContact NE-O 3.5Å
245	N	97.7	Very high	98.1	Very high	69 Å²	69	46 Å²	46	37%	0.369	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	7.1	176.6	71.4	-41.4	0	0	0	114	K243 E290 V291	K243-N245 PolarHBondContact O-N 3.16Å; N245-E290 CarbonylContact O-C 3.4Å; N245-E290 WeakPolarHBondContact O-CA 3.43Å; N245-V291 WeakPolarHBondContact CB-O 3.32Å; N245-V291 PolarHBondContact O-N 3.17Å
246	I	98.5	Very high	98.1	Very high	13 Å²	13	48.6 Å²	48.6	7%	0.067	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	127.4	179.2	-60.8	-64.8	0	0	0	110.3	Y241 K243 L288 E290 Y328 F331	Y241-I246 HydrophobicContact CE1-CG2 4.31Å; K243-I246 PolarHBondContact N-O 2.97Å; K243-I246 PolarHBondContact O-N 2.73Å; I246-L288 HydrophobicContact CG2-CD1 3.57Å; I246-E290 HydrophobicContact CD1-CG 3.66Å; I246-Y328 HydrophobicContact CD1-CE1 4.03Å; I246-F331 HydrophobicContact CG2-CE1 4.25Å; I246-F331 HydrophobicContact CG2-CE2 4.34Å; I246-F331 HydrophobicContact CG2-CZ 3.93Å
247	S	98.8	Very high	98	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	146.8	178.3	-35.6	0	0	0	0	112.2	E239 Y241 R242 T289 V291	E239-S247 WeakPolarHBondContact OE1-CB 3.48Å; E239-S247 PolarHBondContact OE1-OG 2.63Å; Y241-S247 CarbonylContact O-C 3.53Å; Y241-S247 VanDerWaalsContact O-CA 3.23Å; Y241-S247 WeakPolarHBondContact O-CA 3.41Å; R242-S247 WeakPolarHBondContact CD-OG 3.49Å; R242-S247 PolarHBondContact NE-OG 3.46Å; R242-S247 PolarHBondContact NH1-OG 3.21Å; S247-T289 WeakPolarHBondContact CB-OG1 3.42Å; S247-T289 PolarHBondContact N-O 2.9Å; S247-T289 VanDerWaalsContact N-O 3.09Å; S247-T289 PolarHBondContact O-N 3.16Å; S247-T289 PolarHBondContact O-OG1 3.06Å; S247-T289 VanDerWaalsContact O-OG1 3.1Å; S247-V291 WeakPolarHBondContact OG-CG2 3.4Å
248	V	98.9	Very high	97.9	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129	172.6	-172.7	0	0	0	0	110.2	I240 Y241 Y286 I287 L288 F331 F335	I240-V248 WeakPolarHBondContact CG1-O 3.31Å; I240-V248 PolarHBondContact N-O 2.82Å; Y241-V248 HydrophobicContact CD1-CG2 4.18Å; Y241-V248 HydrophobicContact CG-CG2 4.45Å; Y241-V248 PolarHBondContact N-O 3.22Å; Y241-V248 PolarHBondContact O-N 3.25Å; V248-Y286 HydrophobicContact CG1-CD1 4.5Å; V248-I287 VanDerWaalsContact CA-O 3.3Å; V248-I287 WeakPolarHBondContact CA-O 3.49Å; V248-L288 HydrophobicContact CG2-CD1 4.06Å; V248-F331 HydrophobicContact CG2-CE1 3.75Å; V248-F331 HydrophobicContact CG2-CZ 4.25Å; V248-F335 HydrophobicContact CB-CE1 4.31Å; V248-F335 HydrophobicContact CB-CE2 4.04Å; V248-F335 HydrophobicContact CB-CZ 3.82Å; V248-F335 HydrophobicContact CG1-CD1 4.31Å; V248-F335 HydrophobicContact CG1-CE1 3.77Å; V248-F335 HydrophobicContact CG1-CE2 4.37Å; V248-F335 HydrophobicContact CG1-CZ 3.79Å; V248-F335 HydrophobicContact CG2-CD2 4.04Å; V248-F335 HydrophobicContact CG2-CE2 3.81Å; V248-F335 HydrophobicContact CG2-CZ 4.08Å
249	Y	98.9	Very high	98	Very high	3 Å²	3	50.9 Å²	50.9	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.3	177.8	-64.3	-99.7	0	0	0	110.5	Q234 P235 K238 E239 Y286 I287 T289 A296	Q234-Y249 HydrophobicContact CB-CE1 4.19Å; Q234-Y249 HydrophobicContact CG-CE1 4.37Å; P235-Y249 HydrophobicContact CB-CD1 4.3Å; P235-Y249 HydrophobicContact CB-CD2 4.09Å; P235-Y249 HydrophobicContact CB-CG 3.84Å; P235-Y249 HydrophobicContact CG-CD2 3.7Å; P235-Y249 HydrophobicContact CG-CE2 4.17Å; P235-Y249 HydrophobicContact CG-CG 4Å; K238-Y249 CarbonylContact O-C 3.52Å; K238-Y249 VanDerWaalsContact O-CA 3.27Å; K238-Y249 WeakPolarHBondContact O-CA 3.08Å; E239-Y249 HydrophobicContact CB-CD1 4.01Å; E239-Y249 HydrophobicContact CB-CE1 3.7Å; E239-Y249 HydrophobicContact CG-CE1 4.13Å; Y249-Y286 CarbonylContact O-C 3.5Å; Y249-Y286 VanDerWaalsContact O-CA 3.31Å; Y249-Y286 WeakPolarHBondContact O-CA 3.37Å; Y249-I287 PolarHBondContact N-O 3.41Å; Y249-I287 PolarHBondContact O-N 2.97Å; Y249-T289 HydrophobicContact CD2-CG2 4.15Å; Y249-T289 HydrophobicContact CE2-CG2 4.11Å; Y249-T289 WeakPolarHBondContact CE2-OG1 3.44Å; Y249-A296 HydrophobicContact CE2-CB 4.15Å
250	E	98.8	Very high	97.9	Very high	44 Å²	44	47.3 Å²	47.3	21%	0.206	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	120.6	168.8	-178.5	-179.5	-126.5	0	0	109.2	G237 K238 I240 V284 Y286 W445	G237-E250 WeakPolarHBondContact CA-O 3.25Å; K238-E250 PolarHBondContact N-O 3.16Å; K238-E250 PolarHBondContact O-N 3.37Å; I240-E250 HydrophobicContact CD1-CB 4.01Å; I240-E250 HydrophobicContact CG1-CB 4.15Å; I240-E250 HydrophobicContact CG2-CB 3.83Å; E250-V284 HydrophobicContact CG-CG1 3.63Å; E250-Y286 HydrophobicContact CB-CD1 4.4Å; E250-Y286 HydrophobicContact CB-CE1 4.19Å; E250-Y286 HydrophobicContact CG-CE1 4Å; E250-Y286 PolarHBondContact OE1-OH 3.22Å; E250-W445 PolarHBondContact OE1-NE1 3.4Å
251	V	98.8	Very high	97.7	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	114	-175.4	-173	0	0	0	0	109.2	P236 H256 Y259 F285 I287	P236-V251 HydrophobicContact CG-CG1 4.02Å; P236-V251 HydrophobicContact CG-CG2 4.49Å; P236-V251 VanDerWaalsContact O-CG2 3.3Å; P236-V251 WeakPolarHBondContact O-CG2 3.45Å; V251-H256 HydrophobicContact CG1-CB 3.68Å; V251-Y259 HydrophobicContact CG1-CD1 4.16Å; V251-F285 HydrophobicContact CB-CB 4.32Å; V251-F285 PolarHBondContact N-O 3.42Å; V251-F285 PolarHBondContact O-N 3.14Å; V251-I287 HydrophobicContact CG2-CG1 3.8Å
252	D	98.4	Very high	97.7	Very high	42 Å²	42	49.4 Å²	49.4	23%	0.225	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	126.9	174.4	-168.5	-56.4	0	0	0	110.2	K254 D255 H256 K306	D252-K254 PolarHBondContact O-N 3.07Å; D252-K254 WeakPolarHBondContact OD1-CA 3.22Å; D252-K254 WeakPolarHBondContact OD1-CB 3.31Å; D252-K254 PolarHBondContact OD1-N 3.18Å; D252-D255 HydrophobicContact CB-CB 4.15Å; D252-D255 PolarHBondContact O-N 2.85Å; D252-H256 PolarHBondContact O-N 2.98Å; D252-K306 IonicContact OD1-NZ 2.73Å; D252-K306 PolarHBondContact OD1-NZ 3.33Å; D252-K306 WeakPolarHBondContact OD2-CE 3.31Å; D252-K306 IonicContact OD2-NZ 2.72Å; D252-K306 PolarHBondContact OD2-NZ 3.3Å
253	G	95.9	Very high	97.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-22.8	-179.8	0	0	0	0	0	114.6	K257 V280 F283	G253-K257 VanDerWaalsContact O-CA 3.25Å; G253-K257 WeakPolarHBondContact O-CA 3.46Å; G253-K257 PolarHBondContact O-N 2.76Å; G253-V280 WeakPolarHBondContact CA-O 3.42Å; G253-V280 WeakPolarHBondContact O-CG2 3.29Å; G253-F283 PolarHBondContact N-O 3.12Å
254	K	95.6	Very high	97.6	Very high	136 Å²	136	40.6 Å²	40.6	59%	0.591	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-44.3	172.4	-173.4	-179.2	178.6	177.7	0	111.1	D252 E281	D252-K254 PolarHBondContact O-N 3.07Å; D252-K254 WeakPolarHBondContact OD1-CA 3.22Å; D252-K254 WeakPolarHBondContact OD1-CB 3.31Å; D252-K254 PolarHBondContact OD1-N 3.18Å; K254-E281 HydrophobicContact CB-CB 4.3Å; K254-E281 HydrophobicContact CB-CG 4.44Å
255	D	97.9	Very high	97.5	Very high	116 Å²	116	35.9 Å²	35.9	62%	0.62	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-31.8	-175.2	-61	-18.8	0	0	0	112	D252	D252-D255 HydrophobicContact CB-CB 4.15Å; D252-D255 PolarHBondContact O-N 2.85Å
256	H	98.1	Very high	97.4	Very high	59 Å²	59	32.6 Å²	32.6	27%	0.273	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	45.5	-175.9	-60.8	-60.2	0	0	0	112.9	P236 G237 V251 D252 I258 Y259 C260	P236-H256 HydrophobicContact CG-CB 4.17Å; G237-H256 PolarHBondContact N-NE2 3.4Å; V251-H256 HydrophobicContact CG1-CB 3.68Å; D252-H256 PolarHBondContact O-N 2.98Å; H256-I258 PolarHBondContact O-N 2.96Å; H256-Y259 PolarHBondContact O-N 2.77Å; H256-C260 PolarHBondContact O-N 3.36Å
257	K	96.3	Very high	97.3	Very high	84 Å²	84	32 Å²	32	37%	0.365	15%	0.154	S	C	.	.	H	α-helix	trans	-45.4	-52.1	-173.9	-169.4	166.2	-172.3	161.8	0	114.4	G253 Y259 C260 Q261 V280 E281	G253-K257 VanDerWaalsContact O-CA 3.25Å; G253-K257 WeakPolarHBondContact O-CA 3.46Å; G253-K257 PolarHBondContact O-N 2.76Å; K257-Y259 PolarHBondContact O-N 3.46Å; K257-C260 PolarHBondContact O-N 3.19Å; K257-Q261 HydrophobicContact CG-CG 4.45Å; K257-Q261 WeakPolarHBondContact O-CB 3.5Å; K257-Q261 VanDerWaalsContact O-CG 3.23Å; K257-Q261 WeakPolarHBondContact O-CG 3.48Å; K257-Q261 PolarHBondContact O-N 3.35Å; K257-V280 HydrophobicContact CB-CG2 4.44Å; K257-V280 HydrophobicContact CG-CG2 3.89Å; K257-E281 IonicContact NZ-OE1 3.7Å; K257-E281 PolarHBondContact NZ-OE1 3.47Å
258	I	97	Very high	96.9	Very high	113 Å²	113	32.1 Å²	32.1	58%	0.579	15%	0.154	S	C	*	.	H	α-helix	trans	-63.5	-43.4	-177.6	-59.1	-58.1	0	0	0	112.1	H256 Q261 N262	H256-I258 PolarHBondContact O-N 2.96Å; I258-Q261 PolarHBondContact O-N 3.46Å; I258-N262 WeakPolarHBondContact O-CB 3.23Å; I258-N262 PolarHBondContact O-N 2.79Å; I258-N262 PolarHBondContact O-ND2 3.3Å; I258-N262 PolarHBondContact O-OD1 3.22Å
259	Y	98.6	Very high	96.7	Very high	17 Å²	17	32.1 Å²	32.1	7%	0.067	15%	0.154	C	C	.	.	H	α-helix	trans	-63.2	-45.2	178.5	178.4	-91.1	0	0	0	110.9	Y212 L214 P236 V251 H256 K257 N262 L263 I287	Y212-Y259 WeakPolarHBondContact O-CE2 3.43Å; L214-Y259 HydrophobicContact CB-CE2 4.42Å; L214-Y259 HydrophobicContact CD1-CD2 4.23Å; L214-Y259 HydrophobicContact CD1-CE1 4.13Å; L214-Y259 HydrophobicContact CD1-CE2 3.63Å; L214-Y259 HydrophobicContact CG-CD2 4.27Å; L214-Y259 HydrophobicContact CG-CE2 3.67Å; P236-Y259 VanDerWaalsContact CD-CE2 3.47Å; P236-Y259 HydrophobicContact CG-CD1 3.66Å; P236-Y259 HydrophobicContact CG-CD2 3.87Å; P236-Y259 HydrophobicContact CG-CE1 4.09Å; P236-Y259 HydrophobicContact CG-CE2 4.27Å; P236-Y259 HydrophobicContact CG-CG 3.54Å; V251-Y259 HydrophobicContact CG1-CD1 4.16Å; H256-Y259 PolarHBondContact O-N 2.77Å; K257-Y259 PolarHBondContact O-N 3.46Å; Y259-N262 PolarHBondContact O-N 2.85Å; Y259-L263 WeakPolarHBondContact O-CB 3.32Å; Y259-L263 PolarHBondContact O-N 2.84Å; Y259-I287 HydrophobicContact CE1-CD1 4.34Å; Y259-I287 HydrophobicContact CE1-CG1 4.22Å
260	C	97.9	Very high	96.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-68	-36.3	-179.9	-64.7	0	0	0	0	112.5	H256 K257 L263 C264 V280 F285	H256-C260 PolarHBondContact O-N 3.36Å; K257-C260 PolarHBondContact O-N 3.19Å; C260-L263 PolarHBondContact O-N 3.23Å; C260-C264 WeakPolarHBondContact O-CB 3.41Å; C260-C264 PolarHBondContact O-N 2.89Å; C260-C264 PolarHBondContact O-SG 2.76Å; C260-C264 VanDerWaalsContact O-SG 3.34Å; C260-V280 HydrophobicContact CB-CB 3.95Å; C260-V280 HydrophobicContact CB-CG1 4.1Å; C260-V280 HydrophobicContact CB-CG2 4.02Å; C260-F285 HydrophobicContact CB-CD2 4Å; C260-F285 HydrophobicContact CB-CE2 3.63Å; C260-F285 HydrophobicContact CB-CZ 3.96Å; C260-F285 WeakPolarHBondContact SG-CD2 3.45Å
261	Q	95	Very high	96	Very high	36 Å²	36	31.3 Å²	31.3	17%	0.168	15%	0.151	C	C	.	.	H	α-helix	trans	-63.9	-45.4	172.6	-73.3	177.5	-20.1	0	0	111.5	K257 I258 L263 C264 L265 F278 V280	K257-Q261 HydrophobicContact CG-CG 4.45Å; K257-Q261 WeakPolarHBondContact O-CB 3.5Å; K257-Q261 VanDerWaalsContact O-CG 3.23Å; K257-Q261 WeakPolarHBondContact O-CG 3.48Å; K257-Q261 PolarHBondContact O-N 3.35Å; I258-Q261 PolarHBondContact O-N 3.46Å; Q261-L263 VanDerWaalsContact C-N 3.32Å; Q261-L263 PolarHBondContact O-N 3.44Å; Q261-C264 PolarHBondContact O-N 3.09Å; Q261-L265 WeakPolarHBondContact O-CG 3.35Å; Q261-L265 PolarHBondContact O-N 3.01Å; Q261-F278 PolarHBondContact NE2-O 3.46Å; Q261-V280 HydrophobicContact CG-CG1 4Å; Q261-V280 HydrophobicContact CG-CG2 4.04Å
262	N	97.9	Very high	95.1	Very high	14 Å²	14	33.3 Å²	33.3	8%	0.075	16%	0.162	C	C	.	.	H	α-helix	trans	-60	-42.8	175.2	-68.6	-13.9	0	0	0	111.6	L214 Y216 I258 Y259 L265 L266	L214-N262 HydrophobicContact CB-CB 3.68Å; L214-N262 WeakPolarHBondContact O-CB 3.29Å; Y216-N262 WeakPolarHBondContact CE1-OD1 3.5Å; I258-N262 WeakPolarHBondContact O-CB 3.23Å; I258-N262 PolarHBondContact O-N 2.79Å; I258-N262 PolarHBondContact O-ND2 3.3Å; I258-N262 PolarHBondContact O-OD1 3.22Å; Y259-N262 PolarHBondContact O-N 2.85Å; N262-L265 PolarHBondContact O-N 3.36Å; N262-L266 WeakPolarHBondContact O-CB 3.44Å; N262-L266 PolarHBondContact O-N 2.89Å
263	L	98.4	Very high	94.1	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.016	18%	0.175	C	C	.	.	H	α-helix	trans	-61.6	-42.8	175	-179.8	61.6	0	0	0	111.8	L214 Y259 C260 Q261 L266 A267 F285 I287 I298 Y301	L214-L263 HydrophobicContact CD1-CB 3.66Å; L214-L263 HydrophobicContact CD1-CD1 3.82Å; L214-L263 HydrophobicContact CD1-CG 4.29Å; Y259-L263 WeakPolarHBondContact O-CB 3.32Å; Y259-L263 PolarHBondContact O-N 2.84Å; C260-L263 PolarHBondContact O-N 3.23Å; Q261-L263 VanDerWaalsContact C-N 3.32Å; Q261-L263 PolarHBondContact O-N 3.44Å; L263-L266 PolarHBondContact O-N 3.04Å; L263-A267 VanDerWaalsContact O-CB 3.26Å; L263-A267 WeakPolarHBondContact O-CB 3.22Å; L263-A267 PolarHBondContact O-N 3.48Å; L263-F285 HydrophobicContact CD2-CB 4.41Å; L263-F285 HydrophobicContact CD2-CD1 3.79Å; L263-F285 HydrophobicContact CD2-CE1 4.48Å; L263-F285 HydrophobicContact CD2-CG 4.37Å; L263-I287 HydrophobicContact CD2-CD1 3.32Å; L263-I298 HydrophobicContact CD1-CD1 3.84Å; L263-Y301 HydrophobicContact CD1-CD1 3.81Å; L263-Y301 HydrophobicContact CD1-CE1 4.03Å; L263-Y301 HydrophobicContact CD1-CG 4.23Å; L263-Y301 HydrophobicContact CD2-CD1 4.23Å; L263-Y301 HydrophobicContact CD2-CD2 3.79Å; L263-Y301 HydrophobicContact CD2-CE2 4.1Å; L263-Y301 HydrophobicContact CD2-CG 3.86Å; L263-Y301 HydrophobicContact CG-CD1 4.17Å; L263-Y301 HydrophobicContact CG-CD2 4.41Å; L263-Y301 HydrophobicContact CG-CE1 4.13Å; L263-Y301 HydrophobicContact CG-CE2 4.38Å; L263-Y301 HydrophobicContact CG-CG 4.31Å
264	C	95.1	Very high	93.5	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.014	18%	0.178	C	C	.	.	H	α-helix	trans	-63.8	-41.6	177.5	-78.5	0	0	0	0	112.7	C260 Q261 A267 K268 K274	C260-C264 WeakPolarHBondContact O-CB 3.41Å; C260-C264 PolarHBondContact O-N 2.89Å; C260-C264 PolarHBondContact O-SG 2.76Å; C260-C264 VanDerWaalsContact O-SG 3.34Å; Q261-C264 PolarHBondContact O-N 3.09Å; C264-A267 PolarHBondContact O-N 3.39Å; C264-K268 WeakPolarHBondContact O-CB 3.36Å; C264-K268 PolarHBondContact O-N 3.14Å; C264-K274 WeakPolarHBondContact SG-CE 3.35Å; C264-K274 PolarHBondContact SG-NZ 3.16Å; C264-K274 VanDerWaalsContact SG-NZ 3.37Å
265	L	94.3	Very high	92.3	Very high	2 Å²	2	35 Å²	35	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-64.5	-42.9	175.2	-70.7	171	0	0	0	111.6	S195 P196 F197 Y216 Q261 N262 A267 K268 Y277	S195-L265 WeakPolarHBondContact CB-O 3.49Å; S195-L265 PolarHBondContact OG-O 2.59Å; P196-L265 HydrophobicContact CG-CD2 4.02Å; P196-L265 WeakPolarHBondContact O-CD2 3.4Å; F197-L265 HydrophobicContact CD1-CB 4.18Å; F197-L265 HydrophobicContact CD1-CD1 4.01Å; F197-L265 HydrophobicContact CE1-CB 3.65Å; F197-L265 HydrophobicContact CE1-CD1 4.15Å; F197-L265 HydrophobicContact CE1-CG 4.45Å; F197-L265 HydrophobicContact CE2-CB 4.38Å; F197-L265 HydrophobicContact CZ-CB 3.77Å; Y216-L265 HydrophobicContact CE1-CD1 3.76Å; Q261-L265 WeakPolarHBondContact O-CG 3.35Å; Q261-L265 PolarHBondContact O-N 3.01Å; N262-L265 PolarHBondContact O-N 3.36Å; L265-A267 VanDerWaalsContact C-N 3.35Å; L265-K268 PolarHBondContact O-N 3.38Å; L265-Y277 HydrophobicContact CD2-CD2 4.49Å
266	L	96.7	Very high	91.2	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-60	-45.9	172.2	171.5	58.6	0	0	0	111.1	I182 I184 L209 L214 N262 L263 K268 L269 F270 L320	I182-L266 HydrophobicContact CD1-CD1 3.36Å; I184-L266 HydrophobicContact CD1-CD2 4.12Å; L209-L266 HydrophobicContact CD2-CB 4.22Å; L209-L266 HydrophobicContact CD2-CD1 3.88Å; L209-L266 HydrophobicContact CD2-CD2 4.33Å; L209-L266 HydrophobicContact CD2-CG 4.37Å; L214-L266 HydrophobicContact CD2-CD2 4.16Å; N262-L266 WeakPolarHBondContact O-CB 3.44Å; N262-L266 PolarHBondContact O-N 2.89Å; L263-L266 PolarHBondContact O-N 3.04Å; L266-K268 VanDerWaalsContact C-N 3.34Å; L266-K268 PolarHBondContact O-N 2.97Å; L266-L269 HydrophobicContact CD1-CD1 4.36Å; L266-L269 WeakPolarHBondContact O-CB 3.35Å; L266-L269 PolarHBondContact O-N 3.14Å; L266-F270 HydrophobicContact CD1-CE2 3.84Å; L266-F270 WeakPolarHBondContact O-CD2 3.46Å; L266-L320 HydrophobicContact CD1-CD2 4.39Å; L266-L320 HydrophobicContact CD2-CD2 4.26Å; L266-L320 HydrophobicContact CG-CD2 4.33Å
267	A	95.7	Very high	90.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.8	-37.2	-177.6	0	0	0	0	0	112.7	L263 C264 L265 L269 F270 L271 K274 Y301 L318	L263-A267 VanDerWaalsContact O-CB 3.26Å; L263-A267 WeakPolarHBondContact O-CB 3.22Å; L263-A267 PolarHBondContact O-N 3.48Å; C264-A267 PolarHBondContact O-N 3.39Å; L265-A267 VanDerWaalsContact C-N 3.35Å; A267-L269 PolarHBondContact O-N 2.69Å; A267-F270 CarbonylContact O-C 3.55Å; A267-F270 PolarHBondContact O-N 3.2Å; A267-L271 HydrophobicContact CB-CD1 4.17Å; A267-L271 WeakPolarHBondContact O-CG 3.34Å; A267-L271 PolarHBondContact O-N 2.97Å; A267-K274 HydrophobicContact CB-CD 4.23Å; A267-Y301 HydrophobicContact CB-CE1 3.6Å; A267-Y301 WeakPolarHBondContact CB-OH 3.27Å; A267-L318 HydrophobicContact CB-CD2 3.89Å
268	K	91.8	Very high	89.2	Confident	2 Å²	2	34 Å²	34	1%	0.009	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-24.3	179.1	-178.9	66.4	-172.4	77	0	112.8	F194 C264 L265 L266 F270 L271 D272 K274	F194-K268 WeakPolarHBondContact O-CG 3.4Å; F194-K268 PolarHBondContact O-NZ 3.38Å; C264-K268 WeakPolarHBondContact O-CB 3.36Å; C264-K268 PolarHBondContact O-N 3.14Å; L265-K268 PolarHBondContact O-N 3.38Å; L266-K268 VanDerWaalsContact C-N 3.34Å; L266-K268 PolarHBondContact O-N 2.97Å; K268-F270 PolarHBondContact O-N 3.36Å; K268-F270 VanDerWaalsContact O-N 3.17Å; K268-L271 WeakPolarHBondContact CD-O 3.27Å; K268-L271 PolarHBondContact NZ-O 3.2Å; K268-L271 VanDerWaalsContact O-O 3.14Å; K268-D272 WeakPolarHBondContact CE-O 3.46Å; K268-D272 PolarHBondContact NZ-O 3.46Å; K268-D272 VanDerWaalsContact NZ-O 3.08Å; K268-K274 HydrophobicContact CB-CD 4.48Å; K268-K274 HydrophobicContact CD-CB 3.77Å; K268-K274 HydrophobicContact CD-CG 4.41Å; K268-K274 WeakPolarHBondContact CD-O 3.47Å; K268-K274 WeakPolarHBondContact CE-O 3.3Å
269	L	93.1	Very high	88.5	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.1	171.2	-64.8	169.7	0	0	0	113	V179 I182 A191 W192 Y193 S195 F197 L266 A267	V179-L269 HydrophobicContact CB-CD2 4.39Å; V179-L269 HydrophobicContact CG1-CD2 4.46Å; I182-L269 HydrophobicContact CD1-CD1 4.25Å; I182-L269 HydrophobicContact CG2-CD1 3.56Å; A191-L269 HydrophobicContact CB-CB 3.99Å; A191-L269 HydrophobicContact CB-CD1 4.49Å; A191-L269 HydrophobicContact CB-CD2 3.66Å; A191-L269 HydrophobicContact CB-CG 4.26Å; W192-L269 WeakPolarHBondContact CA-O 3.3Å; W192-L269 WeakPolarHBondContact CB-O 3.27Å; W192-L269 PolarHBondContact N-O 3.29Å; Y193-L269 PolarHBondContact N-O 3.06Å; S195-L269 VanDerWaalsContact CB-CD2 3.45Å; F197-L269 HydrophobicContact CE2-CD1 3.9Å; F197-L269 HydrophobicContact CE2-CD2 3.96Å; F197-L269 HydrophobicContact CE2-CG 3.98Å; F197-L269 HydrophobicContact CZ-CD1 4.17Å; L266-L269 HydrophobicContact CD1-CD1 4.36Å; L266-L269 WeakPolarHBondContact O-CB 3.35Å; L266-L269 PolarHBondContact O-N 3.14Å; A267-L269 PolarHBondContact O-N 2.69Å
270	F	93.6	Very high	88.2	Confident	6 Å²	6	31.9 Å²	31.9	3%	0.026	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.5	0.8	-174.8	-49.9	-65.9	0	0	0	113.5	I182 I189 W192 L266 A267 K268 L318 L320 P321	I182-F270 HydrophobicContact CD1-CE2 4.17Å; I182-F270 HydrophobicContact CD1-CZ 3.94Å; I189-F270 HydrophobicContact CB-CZ 4.42Å; I189-F270 HydrophobicContact CG2-CE1 3.7Å; I189-F270 HydrophobicContact CG2-CZ 3.65Å; W192-F270 HydrophobicContact CD2-CD1 4.01Å; W192-F270 HydrophobicContact CE3-CB 4.22Å; W192-F270 HydrophobicContact CE3-CD1 4.4Å; W192-F270 HydrophobicContact CG-CD1 4.09Å; L266-F270 HydrophobicContact CD1-CE2 3.84Å; L266-F270 WeakPolarHBondContact O-CD2 3.46Å; A267-F270 CarbonylContact O-C 3.55Å; A267-F270 PolarHBondContact O-N 3.2Å; K268-F270 PolarHBondContact O-N 3.36Å; K268-F270 VanDerWaalsContact O-N 3.17Å; F270-L318 HydrophobicContact CB-CD1 3.75Å; F270-L318 HydrophobicContact CB-CD2 4.24Å; F270-L318 HydrophobicContact CD2-CD2 4.03Å; F270-L320 HydrophobicContact CD2-CD2 4.34Å; F270-L320 HydrophobicContact CE2-CD2 4.07Å; F270-P321 HydrophobicContact CD1-CG 3.68Å; F270-P321 HydrophobicContact CE1-CG 3.58Å; F270-P321 HydrophobicContact CG-CG 4.27Å; F270-P321 HydrophobicContact CZ-CG 4.07Å
271	L	89.1	Confident	87.9	Confident	25 Å²	25	35.3 Å²	35.3	13%	0.131	18%	0.175	C	C	.	.			trans	-125.9	118.8	178.4	-64.4	176.4	0	0	0	109.4	A267 K268 K274 C316 L318	A267-L271 HydrophobicContact CB-CD1 4.17Å; A267-L271 WeakPolarHBondContact O-CG 3.34Å; A267-L271 PolarHBondContact O-N 2.97Å; K268-L271 WeakPolarHBondContact CD-O 3.27Å; K268-L271 PolarHBondContact NZ-O 3.2Å; K268-L271 VanDerWaalsContact O-O 3.14Å; L271-K274 HydrophobicContact CB-CB 4.05Å; L271-K274 HydrophobicContact CD1-CD 4.22Å; L271-C316 HydrophobicContact CD1-CB 4.22Å; L271-L318 HydrophobicContact CD2-CD1 4.41Å
272	D	81.7	Confident	87.8	Confident	42 Å²	42	36.3 Å²	36.3	23%	0.225	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-56.2	-177	-156.3	1.2	0	0	0	111.1	Y193 K268 K274	Y193-D272 HydrophobicContact CD1-CB 3.92Å; Y193-D272 HydrophobicContact CD2-CB 4.38Å; Y193-D272 HydrophobicContact CE1-CB 3.63Å; Y193-D272 VanDerWaalsContact CE1-CG 3.45Å; Y193-D272 HydrophobicContact CE2-CB 4.11Å; Y193-D272 HydrophobicContact CG-CB 4.29Å; K268-D272 WeakPolarHBondContact CE-O 3.46Å; K268-D272 PolarHBondContact NZ-O 3.46Å; K268-D272 VanDerWaalsContact NZ-O 3.08Å; D272-K274 VanDerWaalsContact C-N 3.33Å; D272-K274 PolarHBondContact O-N 3.39Å
273	H	76.7	Confident	87.7	Confident	108 Å²	108	36.6 Å²	36.6	50%	0.5	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	23.3	-171	-52.4	-63.8	0	0	0	115	T275	H273-T275 PolarHBondContact O-N 2.88Å
274	K	82.8	Confident	87.7	Confident	13 Å²	13	37.3 Å²	37.3	6%	0.057	19%	0.19	C	C	.	.			trans	-81	111.9	176.2	178	169.9	179.6	53.5	0	110.1	C264 A267 K268 L271 D272 L276	C264-K274 WeakPolarHBondContact SG-CE 3.35Å; C264-K274 PolarHBondContact SG-NZ 3.16Å; C264-K274 VanDerWaalsContact SG-NZ 3.37Å; A267-K274 HydrophobicContact CB-CD 4.23Å; K268-K274 HydrophobicContact CB-CD 4.48Å; K268-K274 HydrophobicContact CD-CB 3.77Å; K268-K274 HydrophobicContact CD-CG 4.41Å; K268-K274 WeakPolarHBondContact CD-O 3.47Å; K268-K274 WeakPolarHBondContact CE-O 3.3Å; L271-K274 HydrophobicContact CB-CB 4.05Å; L271-K274 HydrophobicContact CD1-CD 4.22Å; D272-K274 VanDerWaalsContact C-N 3.33Å; D272-K274 PolarHBondContact O-N 3.39Å; K274-L276 WeakPolarHBondContact CE-O 3.5Å; K274-L276 PolarHBondContact NZ-O 3.3Å
275	T	70.8	Confident	87.8	Confident	92 Å²	92	37.3 Å²	37.3	56%	0.564	19%	0.19	S	C	*	.			trans	-98.6	-30.6	-175	53.8	0	0	0	0	113.6	H273 Y277	H273-T275 PolarHBondContact O-N 2.88Å; T275-Y277 WeakPolarHBondContact O-CD1 3.26Å; T275-Y277 WeakPolarHBondContact O-CE1 3.5Å
276	L	74.7	Confident	88.1	Confident	81 Å²	81	37.5 Å²	37.5	42%	0.424	19%	0.19	S	C	.	.			trans	-101.3	118.6	-179	-63.3	176.6	0	0	0	111.8	K274 F283	K274-L276 WeakPolarHBondContact CE-O 3.5Å; K274-L276 PolarHBondContact NZ-O 3.3Å; L276-F283 HydrophobicContact CD1-CE2 3.88Å; L276-F283 HydrophobicContact CD1-CZ 3.81Å
277	Y	76.4	Confident	88.2	Confident	55 Å²	55	37.4 Å²	37.4	22%	0.216	19%	0.19	C	C	.	.	S	Bend	trans	-134.2	-23.6	179.9	42.1	-91.9	0	0	0	115.1	P196 L265 T275	P196-Y277 HydrophobicContact CB-CE2 4.07Å; P196-Y277 HydrophobicContact CG-CD1 3.97Å; P196-Y277 HydrophobicContact CG-CD2 3.65Å; P196-Y277 HydrophobicContact CG-CE1 3.74Å; P196-Y277 HydrophobicContact CG-CE2 3.36Å; P196-Y277 HydrophobicContact CG-CG 3.94Å; P196-Y277 VanDerWaalsContact CG-CZ 3.45Å; L265-Y277 HydrophobicContact CD2-CD2 4.49Å; T275-Y277 WeakPolarHBondContact O-CD1 3.26Å; T275-Y277 WeakPolarHBondContact O-CE1 3.5Å
278	F	74.9	Confident	88.3	Confident	101 Å²	101	37.4 Å²	37.4	44%	0.443	19%	0.19	S	C	.	.	S	Bend	trans	-100.9	-36.2	175.3	-62.2	-49.3	0	0	0	113.8	Q261 V280	Q261-F278 PolarHBondContact NE2-O 3.46Å; F278-V280 PolarHBondContact O-N 3.11Å; F278-V280 VanDerWaalsContact O-N 3.17Å
279	D	84.2	Confident	88.7	Confident	86 Å²	86	37.3 Å²	37.3	46%	0.46	19%	0.19	S	C	.	.			trans	-84.1	87.4	174.7	-170.3	18	0	0	0	110.4	P282	D279-P282 WeakPolarHBondContact OD1-CD 3.43Å
280	V	90.3	Very high	88.9	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.006	20%	0.201	C	C	.	.			trans	-103.2	-11.3	-175.1	-65.1	0	0	0	0	112.9	G253 K257 C260 Q261 F278 P282 F283 F285	G253-V280 WeakPolarHBondContact CA-O 3.42Å; G253-V280 WeakPolarHBondContact O-CG2 3.29Å; K257-V280 HydrophobicContact CB-CG2 4.44Å; K257-V280 HydrophobicContact CG-CG2 3.89Å; C260-V280 HydrophobicContact CB-CB 3.95Å; C260-V280 HydrophobicContact CB-CG1 4.1Å; C260-V280 HydrophobicContact CB-CG2 4.02Å; Q261-V280 HydrophobicContact CG-CG1 4Å; Q261-V280 HydrophobicContact CG-CG2 4.04Å; F278-V280 PolarHBondContact O-N 3.11Å; F278-V280 VanDerWaalsContact O-N 3.17Å; V280-P282 VanDerWaalsContact C-CD 3.46Å; V280-F283 PolarHBondContact O-N 2.75Å; V280-F283 VanDerWaalsContact O-N 3.08Å; V280-F285 HydrophobicContact CB-CE2 4.18Å; V280-F285 HydrophobicContact CB-CZ 4.17Å; V280-F285 HydrophobicContact CG1-CZ 4.16Å
281	E	92.2	Very high	89.1	Confident	72 Å²	72	40.7 Å²	40.7	34%	0.336	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-33.4	-174	-55.5	-172.8	-165.3	0	0	114.3	K254 K257 F283 K306	K254-E281 HydrophobicContact CB-CB 4.3Å; K254-E281 HydrophobicContact CB-CG 4.44Å; K257-E281 IonicContact NZ-OE1 3.7Å; K257-E281 PolarHBondContact NZ-OE1 3.47Å; E281-F283 PolarHBondContact O-N 3.39Å; E281-K306 WeakPolarHBondContact O-CE 3.32Å; E281-K306 PolarHBondContact O-NZ 3.25Å
282	P	93.6	Very high	89.5	Confident	56 Å²	56	43.4 Å²	43.4	36%	0.364	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-9	174.5	-22.8	35.5	0	0	0	114.7	D279 V280 K306	D279-P282 WeakPolarHBondContact OD1-CD 3.43Å; V280-P282 VanDerWaalsContact C-CD 3.46Å; P282-K306 WeakPolarHBondContact O-CG 3.11Å; P282-K306 PolarHBondContact O-N 3.07Å
283	F	95.4	Very high	90.3	Very high	20 Å²	20	53.3 Å²	53.3	9%	0.088	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	150.4	-170	-61.9	-88.1	0	0	0	113.2	G253 L276 V280 E281 F285 K304 E305 A315	G253-F283 PolarHBondContact N-O 3.12Å; L276-F283 HydrophobicContact CD1-CE2 3.88Å; L276-F283 HydrophobicContact CD1-CZ 3.81Å; V280-F283 PolarHBondContact O-N 2.75Å; V280-F283 VanDerWaalsContact O-N 3.08Å; E281-F283 PolarHBondContact O-N 3.39Å; F283-F285 HydrophobicContact CB-CD2 4.34Å; F283-F285 HydrophobicContact CB-CE2 3.63Å; F283-F285 HydrophobicContact CB-CZ 3.88Å; F283-K304 WeakPolarHBondContact CA-O 3.32Å; F283-E305 HydrophobicContact CD1-CG 4.02Å; F283-E305 HydrophobicContact CE1-CG 3.5Å; F283-E305 VanDerWaalsContact CE1-CG 3.5Å; F283-E305 HydrophobicContact CZ-CG 4.2Å; F283-A315 HydrophobicContact CD1-CB 4.39Å; F283-A315 HydrophobicContact CE1-CB 3.96Å
284	V	98	Very high	91.2	Very high	19 Å²	19	53.8 Å²	53.8	12%	0.115	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	138.1	161.8	-176.4	0	0	0	0	107.9	E250 Y286 S303 K304 K306	E250-V284 HydrophobicContact CG-CG1 3.63Å; V284-Y286 HydrophobicContact CB-CE2 4.29Å; V284-Y286 HydrophobicContact CG1-CE2 3.89Å; V284-S303 CarbonylContact O-C 3.59Å; V284-S303 WeakPolarHBondContact O-CA 3.37Å; V284-K304 PolarHBondContact N-O 2.75Å; V284-K304 PolarHBondContact O-N 3.37Å; V284-K306 HydrophobicContact CG2-CD 4.47Å; V284-K306 HydrophobicContact CG2-CG 3.75Å
285	F	98.8	Very high	91.9	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.009	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.9	-178.1	-60.2	-102.5	0	0	0	109.8	V251 C260 L263 V280 F283 I287 Y301	V251-F285 HydrophobicContact CB-CB 4.32Å; V251-F285 PolarHBondContact N-O 3.42Å; V251-F285 PolarHBondContact O-N 3.14Å; C260-F285 HydrophobicContact CB-CD2 4Å; C260-F285 HydrophobicContact CB-CE2 3.63Å; C260-F285 HydrophobicContact CB-CZ 3.96Å; C260-F285 WeakPolarHBondContact SG-CD2 3.45Å; L263-F285 HydrophobicContact CD2-CB 4.41Å; L263-F285 HydrophobicContact CD2-CD1 3.79Å; L263-F285 HydrophobicContact CD2-CE1 4.48Å; L263-F285 HydrophobicContact CD2-CG 4.37Å; V280-F285 HydrophobicContact CB-CE2 4.18Å; V280-F285 HydrophobicContact CB-CZ 4.17Å; V280-F285 HydrophobicContact CG1-CZ 4.16Å; F283-F285 HydrophobicContact CB-CD2 4.34Å; F283-F285 HydrophobicContact CB-CE2 3.63Å; F283-F285 HydrophobicContact CB-CZ 3.88Å; F285-I287 HydrophobicContact CB-CD1 3.78Å; F285-Y301 AromaticContact CD1-CD2 3.89Å; F285-Y301 HydrophobicContact CD1-CD2 3.89Å; F285-Y301 AromaticContact CD1-CE2 3.72Å; F285-Y301 HydrophobicContact CD1-CE2 3.72Å; F285-Y301 HydrophobicContact CE1-CE2 4.12Å
286	Y	98.9	Very high	93.3	Very high	5 Å²	5	49.4 Å²	49.4	2%	0.02	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	100.8	178.1	-65.4	-87.5	0	0	0	109	I240 V248 Y249 E250 V284 Y301 F302 K304 F335 L339	I240-Y286 HydrophobicContact CD1-CD1 3.83Å; I240-Y286 HydrophobicContact CD1-CE1 3.71Å; V248-Y286 HydrophobicContact CG1-CD1 4.5Å; Y249-Y286 CarbonylContact O-C 3.5Å; Y249-Y286 VanDerWaalsContact O-CA 3.31Å; Y249-Y286 WeakPolarHBondContact O-CA 3.37Å; E250-Y286 HydrophobicContact CB-CD1 4.4Å; E250-Y286 HydrophobicContact CB-CE1 4.19Å; E250-Y286 HydrophobicContact CG-CE1 4Å; E250-Y286 PolarHBondContact OE1-OH 3.22Å; V284-Y286 HydrophobicContact CB-CE2 4.29Å; V284-Y286 HydrophobicContact CG1-CE2 3.89Å; Y286-Y301 WeakPolarHBondContact O-CA 3.39Å; Y286-Y301 WeakPolarHBondContact O-CB 3.31Å; Y286-F302 VanDerWaalsContact CB-CE1 3.47Å; Y286-F302 HydrophobicContact CD1-CZ 4.22Å; Y286-F302 AromaticContact CD2-CD2 3.85Å; Y286-F302 HydrophobicContact CD2-CD2 3.85Å; Y286-F302 HydrophobicContact CD2-CE1 4.22Å; Y286-F302 AromaticContact CD2-CE2 3.18Å; Y286-F302 HydrophobicContact CD2-CE2 3.18Å; Y286-F302 AromaticContact CD2-CZ 3.39Å; Y286-F302 HydrophobicContact CD2-CZ 3.39Å; Y286-F302 AromaticContact CE2-CE2 3.8Å; Y286-F302 HydrophobicContact CE2-CE2 3.8Å; Y286-F302 HydrophobicContact CE2-CZ 4.13Å; Y286-F302 HydrophobicContact CG-CD2 4.48Å; Y286-F302 AromaticContact CG-CE1 3.94Å; Y286-F302 HydrophobicContact CG-CE1 3.94Å; Y286-F302 AromaticContact CG-CE2 3.76Å; Y286-F302 HydrophobicContact CG-CE2 3.76Å; Y286-F302 AromaticContact CG-CZ 3.43Å; Y286-F302 HydrophobicContact CG-CZ 3.43Å; Y286-F302 VanDerWaalsContact CG-CZ 3.43Å; Y286-F302 PolarHBondContact N-O 3.27Å; Y286-F302 PolarHBondContact O-N 2.97Å; Y286-F302 VanDerWaalsContact O-N 3.15Å; Y286-K304 HydrophobicContact CE2-CB 4.13Å; Y286-K304 HydrophobicContact CE2-CD 4.43Å; Y286-F335 AromaticContact CD1-CE1 3.97Å; Y286-F335 HydrophobicContact CD1-CE1 3.97Å; Y286-L339 HydrophobicContact CD1-CD1 3.9Å; Y286-L339 HydrophobicContact CD2-CD1 4.28Å; Y286-L339 HydrophobicContact CE1-CD1 3.39Å; Y286-L339 HydrophobicContact CE1-CD2 4.33Å; Y286-L339 HydrophobicContact CE1-CG 4.5Å; Y286-L339 HydrophobicContact CE2-CD1 3.84Å; Y286-L339 HydrophobicContact CG-CD1 4.3Å
287	I	98.9	Very high	94.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	116.4	-171.3	-42	-54.6	0	0	0	109.6	P235 V248 Y249 V251 Y259 L263 F285 T289 I298 Y301	P235-I287 HydrophobicContact CB-CB 4.23Å; P235-I287 HydrophobicContact CB-CG1 4.32Å; P235-I287 HydrophobicContact CB-CG2 4.27Å; P235-I287 HydrophobicContact CG-CB 4.07Å; P235-I287 HydrophobicContact CG-CG2 3.72Å; V248-I287 VanDerWaalsContact CA-O 3.3Å; V248-I287 WeakPolarHBondContact CA-O 3.49Å; Y249-I287 PolarHBondContact N-O 3.41Å; Y249-I287 PolarHBondContact O-N 2.97Å; V251-I287 HydrophobicContact CG2-CG1 3.8Å; Y259-I287 HydrophobicContact CE1-CD1 4.34Å; Y259-I287 HydrophobicContact CE1-CG1 4.22Å; L263-I287 HydrophobicContact CD2-CD1 3.32Å; F285-I287 HydrophobicContact CB-CD1 3.78Å; I287-T289 HydrophobicContact CG2-CG2 4.39Å; I287-I298 HydrophobicContact CG2-CD1 3.85Å; I287-I298 HydrophobicContact CG2-CG1 3.93Å; I287-Y301 HydrophobicContact CD1-CG 4.39Å
288	L	98.9	Very high	95.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	133.3	174.5	174.4	65.5	0	0	0	110.4	I246 V248 V299 G300 Y328 F331 L332	I246-L288 HydrophobicContact CG2-CD1 3.57Å; V248-L288 HydrophobicContact CG2-CD1 4.06Å; L288-V299 HydrophobicContact CD2-CB 4.46Å; L288-V299 HydrophobicContact CD2-CG1 4.16Å; L288-V299 HydrophobicContact CG-CB 4.25Å; L288-V299 HydrophobicContact CG-CG1 4.48Å; L288-V299 PolarHBondContact O-N 3.39Å; L288-G300 PolarHBondContact N-O 3.49Å; L288-G300 PolarHBondContact O-N 3.25Å; L288-Y328 HydrophobicContact CD2-CD1 4Å; L288-Y328 HydrophobicContact CD2-CG 4.27Å; L288-F331 HydrophobicContact CD1-CD1 3.83Å; L288-F331 HydrophobicContact CD1-CE1 3.62Å; L288-F331 HydrophobicContact CD1-CZ 4.49Å; L288-F331 HydrophobicContact CD2-CD1 3.96Å; L288-L332 HydrophobicContact CB-CD2 3.67Å; L288-L332 HydrophobicContact CB-CG 4.42Å; L288-L332 HydrophobicContact CD2-CD1 4.34Å; L288-L332 HydrophobicContact CD2-CD2 4.02Å; L288-L332 HydrophobicContact CD2-CG 3.88Å; L288-L332 HydrophobicContact CG-CD2 4.48Å
289	T	98.8	Very high	96.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.9	-179.5	58	0	0	0	0	112.7	P235 S247 Y249 I287 A296 H297	P235-T289 HydrophobicContact CG-CG2 3.57Å; S247-T289 WeakPolarHBondContact CB-OG1 3.42Å; S247-T289 PolarHBondContact N-O 2.9Å; S247-T289 VanDerWaalsContact N-O 3.09Å; S247-T289 PolarHBondContact O-N 3.16Å; S247-T289 PolarHBondContact O-OG1 3.06Å; S247-T289 VanDerWaalsContact O-OG1 3.1Å; Y249-T289 HydrophobicContact CD2-CG2 4.15Å; Y249-T289 HydrophobicContact CE2-CG2 4.11Å; Y249-T289 WeakPolarHBondContact CE2-OG1 3.44Å; I287-T289 HydrophobicContact CG2-CG2 4.39Å; T289-A296 HydrophobicContact CG2-CB 4.04Å; T289-H297 CarbonylContact C-O 3.58Å; T289-H297 WeakPolarHBondContact CA-O 3.33Å; T289-H297 WeakPolarHBondContact CB-O 3.43Å
290	E	98.4	Very high	97.2	Very high	49 Å²	49	35.7 Å²	35.7	23%	0.229	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.2	159.6	-84.3	-172.5	157.5	0	0	109.8	N245 I246 A296 H297 V299 Y328	N245-E290 CarbonylContact O-C 3.4Å; N245-E290 WeakPolarHBondContact O-CA 3.43Å; I246-E290 HydrophobicContact CD1-CG 3.66Å; E290-A296 CarbonylContact O-C 3.48Å; E290-H297 PolarHBondContact N-O 3.3Å; E290-H297 WeakPolarHBondContact O-CB 3.45Å; E290-H297 PolarHBondContact O-CD2 2.91Å; E290-H297 PolarHBondContact O-N 3.12Å; E290-V299 HydrophobicContact CB-CG2 4.1Å; E290-V299 HydrophobicContact CG-CG2 3.91Å; E290-Y328 VanDerWaalsContact CD-OH 3.22Å; E290-Y328 HydrophobicContact CG-CE1 4.29Å; E290-Y328 WeakPolarHBondContact OE1-CE1 3.24Å; E290-Y328 VanDerWaalsContact OE1-CZ 3.27Å; E290-Y328 PolarHBondContact OE1-OH 3.29Å
291	V	98.2	Very high	97.6	Very high	28 Å²	28	35.8 Å²	35.8	17%	0.17	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.9	-174.9	-171.4	0	0	0	0	110.6	N245 S247 G295 A296	N245-V291 WeakPolarHBondContact CB-O 3.32Å; N245-V291 PolarHBondContact O-N 3.17Å; S247-V291 WeakPolarHBondContact OG-CG2 3.4Å; V291-G295 VanDerWaalsContact CA-O 3.3Å; V291-G295 WeakPolarHBondContact CA-O 3.45Å; V291-A296 HydrophobicContact CG2-CB 3.82Å
292	D	97.5	Very high	98	Very high	81 Å²	81	32.3 Å²	32.3	43%	0.433	15%	0.154	S	C	.	.			trans	-119.2	-156.1	171.6	71.2	9.6	0	0	0	110.9	Q294 G295 H297	D292-Q294 VanDerWaalsContact C-N 3.31Å; D292-Q294 WeakPolarHBondContact OD1-CA 3.15Å; D292-Q294 VanDerWaalsContact OD1-CB 3.29Å; D292-Q294 WeakPolarHBondContact OD1-CB 3.37Å; D292-Q294 PolarHBondContact OD1-N 3.17Å; D292-Q294 PolarHBondContact OD1-OE1 3.4Å; D292-Q294 VanDerWaalsContact OD1-OE1 3.11Å; D292-Q294 PolarHBondContact OD2-OE1 3.48Å; D292-G295 PolarHBondContact N-O 2.95Å; D292-G295 PolarHBondContact OD1-N 3.16Å; D292-H297 IonicContact OD1-CD2 3.19Å; D292-H297 IonicContact OD1-NE2 2.8Å; D292-H297 PolarHBondContact OD1-NE2 2.84Å; D292-H297 IonicContact OD2-CD2 3.47Å; D292-H297 IonicContact OD2-CE1 3.72Å; D292-H297 IonicContact OD2-NE2 2.72Å; D292-H297 PolarHBondContact OD2-NE2 3.15Å
293	R	97.3	Very high	98.2	Very high	250 Å²	250	29.8 Å²	29.8	94%	0.943	14%	0.138	S	C	*	.	S	Bend	trans	-77.8	-19.4	179.4	-62.4	-179.2	-179.1	-176.8	0.1	112.5
294	Q	96.5	Very high	98.3	Very high	118 Å²	118	29.4 Å²	29.4	55%	0.551	14%	0.136	S	C	*	.	S	Bend	trans	-90.8	-39	-175	-67	79.9	-21.7	0	0	110.4	R233 D292	R233-Q294 WeakPolarHBondContact CD-O 3.3Å; D292-Q294 VanDerWaalsContact C-N 3.31Å; D292-Q294 WeakPolarHBondContact OD1-CA 3.15Å; D292-Q294 VanDerWaalsContact OD1-CB 3.29Å; D292-Q294 WeakPolarHBondContact OD1-CB 3.37Å; D292-Q294 PolarHBondContact OD1-N 3.17Å; D292-Q294 PolarHBondContact OD1-OE1 3.4Å; D292-Q294 VanDerWaalsContact OD1-OE1 3.11Å; D292-Q294 PolarHBondContact OD2-OE1 3.48Å
295	G	97.9	Very high	98.1	Very high	11 Å²	11	30.9 Å²	30.9	11%	0.113	14%	0.142	C	C	.	.			trans	169.6	-161.9	175	0	0	0	0	0	114	R233 V291 D292 H297	R233-G295 CarbonylContact O-C 3.56Å; R233-G295 VanDerWaalsContact O-CA 3.22Å; R233-G295 WeakPolarHBondContact O-CA 3.43Å; V291-G295 VanDerWaalsContact CA-O 3.3Å; V291-G295 WeakPolarHBondContact CA-O 3.45Å; D292-G295 PolarHBondContact N-O 2.95Å; D292-G295 PolarHBondContact OD1-N 3.16Å; G295-H297 PolarHBondContact O-CD2 3.27Å; G295-H297 VanDerWaalsContact O-CD2 3.29Å; G295-H297 PolarHBondContact O-NE2 2.82Å
296	A	98.6	Very high	97.7	Very high	3 Å²	3	33.3 Å²	33.3	3%	0.025	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	106.4	174.2	0	0	0	0	0	109.9	R233 Q234 Y249 T289 E290 V291	R233-A296 PolarHBondContact O-N 3.27Å; Q234-A296 HydrophobicContact CB-CB 3.78Å; Y249-A296 HydrophobicContact CE2-CB 4.15Å; T289-A296 HydrophobicContact CG2-CB 4.04Å; E290-A296 CarbonylContact O-C 3.48Å; V291-A296 HydrophobicContact CG2-CB 3.82Å
297	H	98.6	Very high	97.2	Very high	25 Å²	25	37.9 Å²	37.9	12%	0.116	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	125.2	-175	-58.9	-87.5	0	0	0	110.4	E211 Y212 T289 E290 D292 G295 V299	E211-H297 IonicContact OE2-CE1 3.98Å; E211-H297 IonicContact OE2-CG 3.8Å; E211-H297 IonicContact OE2-ND1 2.94Å; E211-H297 PolarHBondContact OE2-ND1 2.97Å; Y212-H297 PolarHBondContact OH-CE1 3.5Å; Y212-H297 VanDerWaalsContact OH-CE1 3.27Å; T289-H297 CarbonylContact C-O 3.58Å; T289-H297 WeakPolarHBondContact CA-O 3.33Å; T289-H297 WeakPolarHBondContact CB-O 3.43Å; E290-H297 PolarHBondContact N-O 3.3Å; E290-H297 WeakPolarHBondContact O-CB 3.45Å; E290-H297 PolarHBondContact O-CD2 2.91Å; E290-H297 PolarHBondContact O-N 3.12Å; D292-H297 IonicContact OD1-CD2 3.19Å; D292-H297 IonicContact OD1-NE2 2.8Å; D292-H297 PolarHBondContact OD1-NE2 2.84Å; D292-H297 IonicContact OD2-CD2 3.47Å; D292-H297 IonicContact OD2-CE1 3.72Å; D292-H297 IonicContact OD2-NE2 2.72Å; D292-H297 PolarHBondContact OD2-NE2 3.15Å; G295-H297 PolarHBondContact O-CD2 3.27Å; G295-H297 VanDerWaalsContact O-CD2 3.29Å; G295-H297 PolarHBondContact O-NE2 2.82Å; H297-V299 PolarHBondContact O-N 3.37Å
298	I	98.6	Very high	96.8	Very high	8 Å²	8	39 Å²	39	4%	0.041	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	130.6	-179.3	-172.7	169.1	0	0	0	111.7	I184 L214 L263 I287 L320 Y323	I184-I298 HydrophobicContact CD1-CG2 4.07Å; L214-I298 HydrophobicContact CD1-CD1 4.33Å; L214-I298 HydrophobicContact CD2-CD1 4.33Å; L214-I298 HydrophobicContact CD2-CG2 4.33Å; L263-I298 HydrophobicContact CD1-CD1 3.84Å; I287-I298 HydrophobicContact CG2-CD1 3.85Å; I287-I298 HydrophobicContact CG2-CG1 3.93Å; I298-L320 HydrophobicContact CG1-CD1 4.41Å; I298-L320 HydrophobicContact CG2-CD1 3.98Å; I298-Y323 WeakPolarHBondContact O-CE2 3.07Å
299	V	98.3	Very high	96.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	-37.9	178	171.3	0	0	0	0	111	L288 E290 H297 T319 L320 Y323 Y328	L288-V299 HydrophobicContact CD2-CB 4.46Å; L288-V299 HydrophobicContact CD2-CG1 4.16Å; L288-V299 HydrophobicContact CG-CB 4.25Å; L288-V299 HydrophobicContact CG-CG1 4.48Å; L288-V299 PolarHBondContact O-N 3.39Å; E290-V299 HydrophobicContact CB-CG2 4.1Å; E290-V299 HydrophobicContact CG-CG2 3.91Å; H297-V299 PolarHBondContact O-N 3.37Å; V299-T319 HydrophobicContact CG1-CG2 4.45Å; V299-L320 PolarHBondContact O-N 2.8Å; V299-Y323 HydrophobicContact CB-CD2 4.43Å; V299-Y323 HydrophobicContact CB-CG 4.37Å; V299-Y323 HydrophobicContact CG1-CD1 4.2Å; V299-Y323 HydrophobicContact CG1-CD2 4.26Å; V299-Y323 HydrophobicContact CG1-CG 3.83Å; V299-Y323 HydrophobicContact CG2-CD1 4.1Å; V299-Y323 HydrophobicContact CG2-CD2 4.49Å; V299-Y323 HydrophobicContact CG2-CE1 4.06Å; V299-Y323 HydrophobicContact CG2-CE2 4.44Å; V299-Y323 HydrophobicContact CG2-CG 4.32Å; V299-Y328 HydrophobicContact CG1-CD1 3.73Å; V299-Y328 HydrophobicContact CG1-CD2 3.64Å; V299-Y328 HydrophobicContact CG1-CE1 4.15Å; V299-Y328 HydrophobicContact CG1-CE2 4.07Å; V299-Y328 HydrophobicContact CG1-CG 3.45Å; V299-Y328 VanDerWaalsContact CG1-CG 3.45Å
300	G	98.4	Very high	95.5	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.8	179.7	-177	0	0	0	0	0	111.3	L288 L318	L288-G300 PolarHBondContact N-O 3.49Å; L288-G300 PolarHBondContact O-N 3.25Å; G300-L318 CarbonylContact C-O 3.59Å; G300-L318 WeakPolarHBondContact CA-O 3.37Å
301	Y	98.8	Very high	95.2	Very high	3 Å²	3	50.7 Å²	50.7	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	167.6	176	82.4	-73.2	0	0	0	111.1	L263 A267 F285 Y286 I287 I317 L318	L263-Y301 HydrophobicContact CD1-CD1 3.81Å; L263-Y301 HydrophobicContact CD1-CE1 4.03Å; L263-Y301 HydrophobicContact CD1-CG 4.23Å; L263-Y301 HydrophobicContact CD2-CD1 4.23Å; L263-Y301 HydrophobicContact CD2-CD2 3.79Å; L263-Y301 HydrophobicContact CD2-CE2 4.1Å; L263-Y301 HydrophobicContact CD2-CG 3.86Å; L263-Y301 HydrophobicContact CG-CD1 4.17Å; L263-Y301 HydrophobicContact CG-CD2 4.41Å; L263-Y301 HydrophobicContact CG-CE1 4.13Å; L263-Y301 HydrophobicContact CG-CE2 4.38Å; L263-Y301 HydrophobicContact CG-CG 4.31Å; A267-Y301 HydrophobicContact CB-CE1 3.6Å; A267-Y301 WeakPolarHBondContact CB-OH 3.27Å; F285-Y301 AromaticContact CD1-CD2 3.89Å; F285-Y301 HydrophobicContact CD1-CD2 3.89Å; F285-Y301 AromaticContact CD1-CE2 3.72Å; F285-Y301 HydrophobicContact CD1-CE2 3.72Å; F285-Y301 HydrophobicContact CE1-CE2 4.12Å; Y286-Y301 WeakPolarHBondContact O-CA 3.39Å; Y286-Y301 WeakPolarHBondContact O-CB 3.31Å; I287-Y301 HydrophobicContact CD1-CG 4.39Å; Y301-I317 WeakPolarHBondContact O-CA 3.12Å; Y301-L318 HydrophobicContact CD1-CB 4.15Å; Y301-L318 HydrophobicContact CE1-CB 3.89Å; Y301-L318 HydrophobicContact CE1-CD2 4.26Å; Y301-L318 PolarHBondContact N-O 2.99Å; Y301-L318 PolarHBondContact O-N 3.28Å
302	F	98.7	Very high	95	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	152.2	153.1	69.4	-89.4	0	0	0	110.7	Y286 V314 C316 I317 L332 F335 L339	Y286-F302 VanDerWaalsContact CB-CE1 3.47Å; Y286-F302 HydrophobicContact CD1-CZ 4.22Å; Y286-F302 AromaticContact CD2-CD2 3.85Å; Y286-F302 HydrophobicContact CD2-CD2 3.85Å; Y286-F302 HydrophobicContact CD2-CE1 4.22Å; Y286-F302 AromaticContact CD2-CE2 3.18Å; Y286-F302 HydrophobicContact CD2-CE2 3.18Å; Y286-F302 AromaticContact CD2-CZ 3.39Å; Y286-F302 HydrophobicContact CD2-CZ 3.39Å; Y286-F302 AromaticContact CE2-CE2 3.8Å; Y286-F302 HydrophobicContact CE2-CE2 3.8Å; Y286-F302 HydrophobicContact CE2-CZ 4.13Å; Y286-F302 HydrophobicContact CG-CD2 4.48Å; Y286-F302 AromaticContact CG-CE1 3.94Å; Y286-F302 HydrophobicContact CG-CE1 3.94Å; Y286-F302 AromaticContact CG-CE2 3.76Å; Y286-F302 HydrophobicContact CG-CE2 3.76Å; Y286-F302 AromaticContact CG-CZ 3.43Å; Y286-F302 HydrophobicContact CG-CZ 3.43Å; Y286-F302 VanDerWaalsContact CG-CZ 3.43Å; Y286-F302 PolarHBondContact N-O 3.27Å; Y286-F302 PolarHBondContact O-N 2.97Å; Y286-F302 VanDerWaalsContact O-N 3.15Å; F302-V314 HydrophobicContact CB-CG1 4.17Å; F302-V314 HydrophobicContact CD2-CG2 4Å; F302-V314 HydrophobicContact CG-CG2 4.41Å; F302-C316 CarbonylContact C-O 3.54Å; F302-C316 WeakPolarHBondContact CA-O 3.36Å; F302-C316 VanDerWaalsContact CB-O 3.25Å; F302-C316 WeakPolarHBondContact CB-O 3.33Å; F302-I317 HydrophobicContact CB-CB 4Å; F302-I317 HydrophobicContact CB-CD1 4.43Å; F302-I317 HydrophobicContact CB-CG1 4.06Å; F302-L332 HydrophobicContact CD1-CB 4.39Å; F302-L332 HydrophobicContact CD1-CD2 3.99Å; F302-F335 HydrophobicContact CE1-CB 4.39Å; F302-F335 AromaticContact CE1-CD1 3.85Å; F302-F335 HydrophobicContact CE1-CD1 3.85Å; F302-F335 AromaticContact CZ-CD1 3.99Å; F302-F335 HydrophobicContact CZ-CD1 3.99Å; F302-L339 HydrophobicContact CE2-CD1 4.31Å; F302-L339 HydrophobicContact CZ-CD1 3.8Å
303	S	98.1	Very high	95	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.014	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	151.6	170	56.5	0	0	0	0	110.5	V284 A315 C316	V284-S303 CarbonylContact O-C 3.59Å; V284-S303 WeakPolarHBondContact O-CA 3.37Å; S303-A315 PolarHBondContact O-N 3.1Å; S303-C316 PolarHBondContact N-O 3.12Å; S303-C316 WeakPolarHBondContact OG-CB 3.24Å; S303-C316 PolarHBondContact OG-N 3.33Å
304	K	97.2	Very high	95	Very high	12 Å²	12	35 Å²	35	5%	0.052	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	133.3	177.1	-177.3	-178.2	177.6	-176.1	0	108.9	F283 V284 Y286 E343	F283-K304 WeakPolarHBondContact CA-O 3.32Å; V284-K304 PolarHBondContact N-O 2.75Å; V284-K304 PolarHBondContact O-N 3.37Å; Y286-K304 HydrophobicContact CE2-CB 4.13Å; Y286-K304 HydrophobicContact CE2-CD 4.43Å; K304-E343 IonicContact NZ-OE1 3.9Å; K304-E343 PolarHBondContact NZ-OE1 3.22Å; K304-E343 IonicContact NZ-OE2 3.58Å; K304-E343 PolarHBondContact NZ-OE2 3.05Å
305	E	93.8	Very high	94.9	Very high	50 Å²	50	30.2 Å²	30.2	23%	0.234	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	138.3	170.8	-62.6	177.9	106.3	0	0	109.8	F283 E307 S308	F283-E305 HydrophobicContact CD1-CG 4.02Å; F283-E305 HydrophobicContact CE1-CG 3.5Å; F283-E305 VanDerWaalsContact CE1-CG 3.5Å; F283-E305 HydrophobicContact CZ-CG 4.2Å; E305-E307 PolarHBondContact O-N 3.13Å; E305-S308 VanDerWaalsContact OE2-CB 3.29Å; E305-S308 WeakPolarHBondContact OE2-CB 3.46Å; E305-S308 PolarHBondContact OE2-OG 3.27Å
306	K	91.7	Very high	94.7	Very high	53 Å²	53	31 Å²	31	23%	0.23	18%	0.179	C	C	.	.	S	Bend	trans	-59	-44	175.6	-72.8	169.9	178.6	175.5	0	110.6	D252 E281 P282 V284 K451	D252-K306 IonicContact OD1-NZ 2.73Å; D252-K306 PolarHBondContact OD1-NZ 3.33Å; D252-K306 WeakPolarHBondContact OD2-CE 3.31Å; D252-K306 IonicContact OD2-NZ 2.72Å; D252-K306 PolarHBondContact OD2-NZ 3.3Å; E281-K306 WeakPolarHBondContact O-CE 3.32Å; E281-K306 PolarHBondContact O-NZ 3.25Å; P282-K306 WeakPolarHBondContact O-CG 3.11Å; P282-K306 PolarHBondContact O-N 3.07Å; V284-K306 HydrophobicContact CG2-CD 4.47Å; V284-K306 HydrophobicContact CG2-CG 3.75Å; K306-K451 WeakPolarHBondContact O-CE 3.1Å; K306-K451 PolarHBondContact O-NZ 2.83Å
307	E	88.1	Confident	94.7	Very high	101 Å²	101	32.4 Å²	32.4	47%	0.472	19%	0.185	S	C	.	.	S	Bend	trans	-126.5	112.2	174.4	-62.5	-67	169.9	0	0	108.1	E305 H450	E305-E307 PolarHBondContact O-N 3.13Å; E307-H450 IonicContact OE1-CD2 2.75Å; E307-H450 PolarHBondContact OE1-CD2 3.03Å; E307-H450 IonicContact OE1-NE2 3.16Å; E307-H450 PolarHBondContact OE1-NE2 3.18Å
308	S	90.4	Very high	94.6	Very high	25 Å²	25	31.8 Å²	31.8	18%	0.175	18%	0.183	C	C	.	.			trans	-110.9	112.1	177.6	-169.5	0	0	0	0	109	E305 D310 G311 N312	E305-S308 VanDerWaalsContact OE2-CB 3.29Å; E305-S308 WeakPolarHBondContact OE2-CB 3.46Å; E305-S308 PolarHBondContact OE2-OG 3.27Å; S308-D310 PolarHBondContact O-N 3Å; S308-G311 PolarHBondContact O-N 3.41Å; S308-G311 VanDerWaalsContact O-N 3.1Å; S308-N312 WeakPolarHBondContact OG-CB 3.42Å; S308-N312 PolarHBondContact OG-N 2.98Å; S308-N312 VanDerWaalsContact OG-N 3.12Å
309	P	84.6	Confident	94.6	Very high	121 Å²	121	32.2 Å²	32.2	79%	0.786	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-37	180	-25	34.5	0	0	0	113	G311	P309-G311 VanDerWaalsContact C-N 3.26Å; P309-G311 PolarHBondContact O-N 2.84Å
310	D	86.4	Confident	94.6	Very high	137 Å²	137	32.5 Å²	32.5	73%	0.733	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-1	-179.2	-59.4	-53.8	0	0	0	113.2	S308 N312	S308-D310 PolarHBondContact O-N 3Å; D310-N312 VanDerWaalsContact C-N 3.33Å
311	G	91	Very high	94.5	Very high	35 Å²	35	33.8 Å²	33.8	36%	0.361	20%	0.196	S	C	.	.			trans	70	29.3	-177.6	0	0	0	0	0	113.3	S308 P309 N313 G347	S308-G311 PolarHBondContact O-N 3.41Å; S308-G311 VanDerWaalsContact O-N 3.1Å; P309-G311 VanDerWaalsContact C-N 3.26Å; P309-G311 PolarHBondContact O-N 2.84Å; G311-N313 PolarHBondContact O-N 3.23Å; G311-G347 WeakPolarHBondContact O-CA 3.35Å
312	N	94.6	Very high	94.4	Very high	26 Å²	26	34.9 Å²	34.9	14%	0.139	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	128	176.3	-62.7	-42.9	0	0	0	109.8	S308 D310 S348 E350	S308-N312 WeakPolarHBondContact OG-CB 3.42Å; S308-N312 PolarHBondContact OG-N 2.98Å; S308-N312 VanDerWaalsContact OG-N 3.12Å; D310-N312 VanDerWaalsContact C-N 3.33Å; N312-S348 CarbonylContact C-O 3.51Å; N312-S348 WeakPolarHBondContact CA-O 3.39Å; N312-E350 HydrophobicContact CB-CB 4.42Å
313	N	97.3	Very high	94.3	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-9.4	175.9	68.6	-9.5	0	0	0	113	G311 S340 S348	G311-N313 PolarHBondContact O-N 3.23Å; N313-S340 VanDerWaalsContact CB-OG 3.31Å; N313-S340 WeakPolarHBondContact CB-OG 3.12Å; N313-S340 PolarHBondContact ND2-OG 3.16Å; N313-S340 VanDerWaalsContact ND2-OG 3.17Å; N313-S348 PolarHBondContact N-O 3.5Å; N313-S348 VanDerWaalsContact OD1-C 3.29Å; N313-S348 PolarHBondContact OD1-O 3.43Å; N313-S348 VanDerWaalsContact OD1-O 3.13Å
314	V	97.9	Very high	94.1	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	129.3	175.4	174.4	0	0	0	0	108.7	F302 I317 S336 P349 E350 Y361	F302-V314 HydrophobicContact CB-CG1 4.17Å; F302-V314 HydrophobicContact CD2-CG2 4Å; F302-V314 HydrophobicContact CG-CG2 4.41Å; V314-I317 HydrophobicContact CG1-CB 3.96Å; V314-I317 HydrophobicContact CG1-CG2 4.29Å; V314-S336 VanDerWaalsContact CG2-CB 3.42Å; V314-S336 WeakPolarHBondContact CG2-OG 3.21Å; V314-P349 HydrophobicContact CB-CB 4.36Å; V314-E350 WeakPolarHBondContact O-CB 3.44Å; V314-E350 PolarHBondContact O-N 3.16Å; V314-Y361 WeakPolarHBondContact CG2-OH 3.36Å
315	A	93.1	Very high	93.8	Very high	17 Å²	17	49.1 Å²	49.1	14%	0.14	26%	0.258	C	S	.	.	S	Bend	trans	-93.5	-60.5	171.3	0	0	0	0	0	110.7	F283 S303 E350	F283-A315 HydrophobicContact CD1-CB 4.39Å; F283-A315 HydrophobicContact CE1-CB 3.96Å; S303-A315 PolarHBondContact O-N 3.1Å; A315-E350 VanDerWaalsContact CA-OE2 3.22Å; A315-E350 WeakPolarHBondContact CA-OE2 3.43Å; A315-E350 VanDerWaalsContact CB-OE2 3.29Å; A315-E350 WeakPolarHBondContact CB-OE2 3.49Å
316	C	95.4	Very high	93.7	Very high	27 Å²	27	53 Å²	53	18%	0.182	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	147.7	172.7	-67.3	0	0	0	0	110.1	L271 F302 S303	L271-C316 HydrophobicContact CD1-CB 4.22Å; F302-C316 CarbonylContact C-O 3.54Å; F302-C316 WeakPolarHBondContact CA-O 3.36Å; F302-C316 VanDerWaalsContact CB-O 3.25Å; F302-C316 WeakPolarHBondContact CB-O 3.33Å; S303-C316 PolarHBondContact N-O 3.12Å; S303-C316 WeakPolarHBondContact OG-CB 3.24Å; S303-C316 PolarHBondContact OG-N 3.33Å
317	I	97.6	Very high	93.8	Very high	33 Å²	33	51.1 Å²	51.1	17%	0.169	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	134.8	173.3	-176	166.4	0	0	0	109.8	Y301 F302 V314 L332 I333 Y361	Y301-I317 WeakPolarHBondContact O-CA 3.12Å; F302-I317 HydrophobicContact CB-CB 4Å; F302-I317 HydrophobicContact CB-CD1 4.43Å; F302-I317 HydrophobicContact CB-CG1 4.06Å; V314-I317 HydrophobicContact CG1-CB 3.96Å; V314-I317 HydrophobicContact CG1-CG2 4.29Å; I317-L332 HydrophobicContact CD1-CB 3.68Å; I317-L332 HydrophobicContact CG1-CB 4.26Å; I317-L332 HydrophobicContact CG1-CD1 4.29Å; I317-I333 HydrophobicContact CD1-CG1 3.71Å; I317-Y361 HydrophobicContact CG2-CE2 4.32Å
318	L	97.4	Very high	94.2	Very high	12 Å²	12	47 Å²	47	6%	0.063	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	135.3	-179.5	179.5	65.3	0	0	0	110.8	A267 F270 L271 G300 Y301 L320	A267-L318 HydrophobicContact CB-CD2 3.89Å; F270-L318 HydrophobicContact CB-CD1 3.75Å; F270-L318 HydrophobicContact CB-CD2 4.24Å; F270-L318 HydrophobicContact CD2-CD2 4.03Å; L271-L318 HydrophobicContact CD2-CD1 4.41Å; G300-L318 CarbonylContact C-O 3.59Å; G300-L318 WeakPolarHBondContact CA-O 3.37Å; Y301-L318 HydrophobicContact CD1-CB 4.15Å; Y301-L318 HydrophobicContact CE1-CB 3.89Å; Y301-L318 HydrophobicContact CE1-CD2 4.26Å; Y301-L318 PolarHBondContact N-O 2.99Å; Y301-L318 PolarHBondContact O-N 3.28Å; L318-L320 HydrophobicContact CD2-CD2 4.31Å
319	T	98.1	Very high	94.5	Very high	16 Å²	16	46.7 Å²	46.7	10%	0.098	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.9	158.7	-57.3	0	0	0	0	107.4	V299 Q324 Y328 G329	V299-T319 HydrophobicContact CG1-CG2 4.45Å; T319-Q324 HydrophobicContact CG2-CG 4.2Å; T319-Q324 WeakPolarHBondContact O-CG 3.42Å; T319-Q324 PolarHBondContact O-NE2 2.84Å; T319-Y328 HydrophobicContact CG2-CD2 4.46Å; T319-G329 PolarHBondContact OG1-N 3.16Å
320	L	97.7	Very high	95	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.031	22%	0.218	C	C	.	.			trans	-59.6	143	-179.3	-70.6	175.9	0	0	0	110.2	L266 F270 I298 V299 L318 P322 Y323 Q324	L266-L320 HydrophobicContact CD1-CD2 4.39Å; L266-L320 HydrophobicContact CD2-CD2 4.26Å; L266-L320 HydrophobicContact CG-CD2 4.33Å; F270-L320 HydrophobicContact CD2-CD2 4.34Å; F270-L320 HydrophobicContact CE2-CD2 4.07Å; I298-L320 HydrophobicContact CG1-CD1 4.41Å; I298-L320 HydrophobicContact CG2-CD1 3.98Å; V299-L320 PolarHBondContact O-N 2.8Å; L318-L320 HydrophobicContact CD2-CD2 4.31Å; L320-P322 VanDerWaalsContact C-CD 3.43Å; L320-P322 VanDerWaalsContact O-N 3.15Å; L320-Y323 HydrophobicContact CB-CD2 4.02Å; L320-Y323 PolarHBondContact O-N 3.18Å; L320-Q324 PolarHBondContact O-N 2.82Å
321	P	96.4	Very high	95.5	Very high	29 Å²	29	36.3 Å²	36.3	19%	0.188	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-49.5	-43	-170.1	-29.3	35.8	0	0	0	116.2	I189 W192 F270 Y323 Q324	I189-P321 HydrophobicContact CG2-CB 3.92Å; I189-P321 HydrophobicContact CG2-CG 3.66Å; W192-P321 HydrophobicContact CZ2-CB 4.25Å; W192-P321 HydrophobicContact CZ2-CG 4.03Å; F270-P321 HydrophobicContact CD1-CG 3.68Å; F270-P321 HydrophobicContact CE1-CG 3.58Å; F270-P321 HydrophobicContact CG-CG 4.27Å; F270-P321 HydrophobicContact CZ-CG 4.07Å; P321-Y323 PolarHBondContact O-N 2.61Å; P321-Y323 VanDerWaalsContact O-N 3.1Å; P321-Q324 PolarHBondContact O-N 2.87Å; P321-Q324 VanDerWaalsContact O-N 3.16Å
322	P	96.9	Very high	95.9	Very high	26 Å²	26	34.7 Å²	34.7	17%	0.169	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-60.2	-25.1	179.5	-24.9	35.5	0	0	0	114.3	Y187 I189 L320 R326	Y187-P322 HydrophobicContact CD1-CB 3.8Å; Y187-P322 HydrophobicContact CD1-CG 3.82Å; Y187-P322 HydrophobicContact CD2-CB 4.36Å; Y187-P322 HydrophobicContact CD2-CG 4.26Å; Y187-P322 HydrophobicContact CE1-CB 3.77Å; Y187-P322 HydrophobicContact CE1-CG 4.31Å; Y187-P322 HydrophobicContact CE2-CB 4.32Å; Y187-P322 HydrophobicContact CG-CB 4.11Å; Y187-P322 HydrophobicContact CG-CG 3.79Å; I189-P322 HydrophobicContact CD1-CG 3.67Å; I189-P322 HydrophobicContact CG1-CG 3.88Å; L320-P322 VanDerWaalsContact C-CD 3.43Å; L320-P322 VanDerWaalsContact O-N 3.15Å; P322-R326 PolarHBondContact O-NE 3.1Å; P322-R326 PolarHBondContact O-NH2 2.95Å
323	Y	96.8	Very high	96.1	Very high	19 Å²	19	33.6 Å²	33.6	8%	0.075	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-101.3	-1.8	-176.3	-55.7	-80.2	0	0	0	113.3	Y187 I298 V299 L320 P321 Y328	Y187-Y323 HydrophobicContact CE2-CE2 4.32Å; Y187-Y323 AromaticContact CE2-CZ 3.88Å; Y187-Y323 WeakPolarHBondContact CE2-OH 3.34Å; I298-Y323 WeakPolarHBondContact O-CE2 3.07Å; V299-Y323 HydrophobicContact CB-CD2 4.43Å; V299-Y323 HydrophobicContact CB-CG 4.37Å; V299-Y323 HydrophobicContact CG1-CD1 4.2Å; V299-Y323 HydrophobicContact CG1-CD2 4.26Å; V299-Y323 HydrophobicContact CG1-CG 3.83Å; V299-Y323 HydrophobicContact CG2-CD1 4.1Å; V299-Y323 HydrophobicContact CG2-CD2 4.49Å; V299-Y323 HydrophobicContact CG2-CE1 4.06Å; V299-Y323 HydrophobicContact CG2-CE2 4.44Å; V299-Y323 HydrophobicContact CG2-CG 4.32Å; L320-Y323 HydrophobicContact CB-CD2 4.02Å; L320-Y323 PolarHBondContact O-N 3.18Å; P321-Y323 PolarHBondContact O-N 2.61Å; P321-Y323 VanDerWaalsContact O-N 3.1Å; Y323-Y328 HydrophobicContact CD1-CE2 4.15Å; Y323-Y328 HydrophobicContact CG-CE2 4.47Å; Y323-Y328 VanDerWaalsContact O-CD2 3.27Å; Y323-Y328 WeakPolarHBondContact O-CD2 3.34Å
324	Q	93.9	Very high	96.1	Very high	43 Å²	43	34 Å²	34	20%	0.201	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	154.7	179.3	-70	179.1	5.7	0	0	112.1	T319 L320 P321 R326	T319-Q324 HydrophobicContact CG2-CG 4.2Å; T319-Q324 WeakPolarHBondContact O-CG 3.42Å; T319-Q324 PolarHBondContact O-NE2 2.84Å; L320-Q324 PolarHBondContact O-N 2.82Å; P321-Q324 PolarHBondContact O-N 2.87Å; P321-Q324 VanDerWaalsContact O-N 3.16Å; Q324-R326 PolarHBondContact O-N 3.3Å; Q324-R326 VanDerWaalsContact O-N 3.16Å
325	R	90.4	Very high	96.2	Very high	251 Å²	251	33.9 Å²	33.9	95%	0.947	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.4	14	-178.6	-54.3	-177.8	176.6	-176.2	-1.4	115.8
326	R	92.8	Very high	96.4	Very high	130 Å²	130	33.1 Å²	33.1	49%	0.491	16%	0.157	S	C	.	.	S	Bend	trans	-103.1	4.5	176.5	-58.5	-178.7	-167.5	-161.9	4	114.7	P322 Q324 Y328	P322-R326 PolarHBondContact O-NE 3.1Å; P322-R326 PolarHBondContact O-NH2 2.95Å; Q324-R326 PolarHBondContact O-N 3.3Å; Q324-R326 VanDerWaalsContact O-N 3.16Å; R326-Y328 HydrophobicContact CB-CD2 3.9Å; R326-Y328 HydrophobicContact CB-CE2 3.53Å; R326-Y328 HydrophobicContact CG-CE2 4.39Å
327	G	93.1	Very high	96.6	Very high	14 Å²	14	31.9 Å²	31.9	14%	0.144	15%	0.149	C	C	.	.	S	Bend	trans	102.6	-16.4	177.1	0	0	0	0	0	115.5	G329 K330 F331	G327-G329 VanDerWaalsContact C-N 3.29Å; G327-G329 PolarHBondContact O-N 3.33Å; G327-K330 PolarHBondContact O-N 2.99Å; G327-K330 VanDerWaalsContact O-N 3.09Å; G327-F331 PolarHBondContact O-N 2.9Å
328	Y	97.2	Very high	96.6	Very high	15 Å²	15	31.9 Å²	31.9	6%	0.059	15%	0.148	C	C	.	.	H	α-helix	trans	-60.3	-34.3	-179	-51.9	-74.4	0	0	0	114.1	I246 L288 E290 V299 T319 Y323 R326 K330 F331 L332 I436	I246-Y328 HydrophobicContact CD1-CE1 4.03Å; L288-Y328 HydrophobicContact CD2-CD1 4Å; L288-Y328 HydrophobicContact CD2-CG 4.27Å; E290-Y328 VanDerWaalsContact CD-OH 3.22Å; E290-Y328 HydrophobicContact CG-CE1 4.29Å; E290-Y328 WeakPolarHBondContact OE1-CE1 3.24Å; E290-Y328 VanDerWaalsContact OE1-CZ 3.27Å; E290-Y328 PolarHBondContact OE1-OH 3.29Å; V299-Y328 HydrophobicContact CG1-CD1 3.73Å; V299-Y328 HydrophobicContact CG1-CD2 3.64Å; V299-Y328 HydrophobicContact CG1-CE1 4.15Å; V299-Y328 HydrophobicContact CG1-CE2 4.07Å; V299-Y328 HydrophobicContact CG1-CG 3.45Å; V299-Y328 VanDerWaalsContact CG1-CG 3.45Å; T319-Y328 HydrophobicContact CG2-CD2 4.46Å; Y323-Y328 HydrophobicContact CD1-CE2 4.15Å; Y323-Y328 HydrophobicContact CG-CE2 4.47Å; Y323-Y328 VanDerWaalsContact O-CD2 3.27Å; Y323-Y328 WeakPolarHBondContact O-CD2 3.34Å; R326-Y328 HydrophobicContact CB-CD2 3.9Å; R326-Y328 HydrophobicContact CB-CE2 3.53Å; R326-Y328 HydrophobicContact CG-CE2 4.39Å; Y328-K330 PolarHBondContact O-N 2.57Å; Y328-F331 WeakPolarHBondContact O-CB 3.18Å; Y328-F331 PolarHBondContact O-N 3.28Å; Y328-F331 VanDerWaalsContact O-N 3.16Å; Y328-L332 WeakPolarHBondContact O-CG 3.38Å; Y328-L332 PolarHBondContact O-N 2.88Å; Y328-I436 HydrophobicContact CD1-CD1 3.69Å; Y328-I436 HydrophobicContact CE1-CD1 3.55Å; Y328-I436 HydrophobicContact CG-CD1 4.43Å
329	G	95.9	Very high	96.7	Very high	18 Å²	18	31.3 Å²	31.3	19%	0.186	15%	0.145	C	C	.	.	H	α-helix	trans	-60.6	-43.7	174.8	0	0	0	0	0	112.4	T319 G327 F331 L332 I333	T319-G329 PolarHBondContact OG1-N 3.16Å; G327-G329 VanDerWaalsContact C-N 3.29Å; G327-G329 PolarHBondContact O-N 3.33Å; G329-F331 VanDerWaalsContact C-N 3.33Å; G329-L332 PolarHBondContact O-N 2.85Å; G329-I333 VanDerWaalsContact O-CG1 3.3Å; G329-I333 WeakPolarHBondContact O-CG1 3.41Å; G329-I333 PolarHBondContact O-N 3.2Å; G329-I333 VanDerWaalsContact O-N 3.11Å
330	K	95.3	Very high	96.6	Very high	41 Å²	41	30.6 Å²	30.6	18%	0.178	14%	0.14	C	C	.	.	H	α-helix	trans	-66.6	-35.9	173.8	-73.1	-169.5	179.4	-175	0	111.7	G327 Y328 I333 A334 S363 P434	G327-K330 PolarHBondContact O-N 2.99Å; G327-K330 VanDerWaalsContact O-N 3.09Å; Y328-K330 PolarHBondContact O-N 2.57Å; K330-I333 PolarHBondContact O-N 3.4Å; K330-A334 WeakPolarHBondContact O-CB 3.02Å; K330-A334 PolarHBondContact O-N 3.38Å; K330-S363 WeakPolarHBondContact CE-OG 3.48Å; K330-S363 PolarHBondContact NZ-OG 3.01Å; K330-P434 HydrophobicContact CB-CB 4.49Å; K330-P434 HydrophobicContact CD-CB 4.21Å; K330-P434 HydrophobicContact CD-CG 3.88Å
331	F	97.9	Very high	96.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-47.3	174.8	179.6	-85.3	0	0	0	111.9	Y241 I246 V248 L288 G327 Y328 G329 I333 A334 F335 I436 V438	Y241-F331 HydrophobicContact CD1-CZ 4.13Å; Y241-F331 HydrophobicContact CE1-CE2 4.15Å; Y241-F331 AromaticContact CE1-CZ 3.65Å; Y241-F331 HydrophobicContact CE1-CZ 3.65Å; Y241-F331 AromaticContact CZ-CZ 3.98Å; I246-F331 HydrophobicContact CG2-CE1 4.25Å; I246-F331 HydrophobicContact CG2-CE2 4.34Å; I246-F331 HydrophobicContact CG2-CZ 3.93Å; V248-F331 HydrophobicContact CG2-CE1 3.75Å; V248-F331 HydrophobicContact CG2-CZ 4.25Å; L288-F331 HydrophobicContact CD1-CD1 3.83Å; L288-F331 HydrophobicContact CD1-CE1 3.62Å; L288-F331 HydrophobicContact CD1-CZ 4.49Å; L288-F331 HydrophobicContact CD2-CD1 3.96Å; G327-F331 PolarHBondContact O-N 2.9Å; Y328-F331 WeakPolarHBondContact O-CB 3.18Å; Y328-F331 PolarHBondContact O-N 3.28Å; Y328-F331 VanDerWaalsContact O-N 3.16Å; G329-F331 VanDerWaalsContact C-N 3.33Å; F331-I333 VanDerWaalsContact C-N 3.34Å; F331-I333 PolarHBondContact O-N 3.48Å; F331-A334 PolarHBondContact O-N 3.16Å; F331-F335 HydrophobicContact CE1-CD2 4.19Å; F331-F335 HydrophobicContact CZ-CD2 4.26Å; F331-F335 WeakPolarHBondContact O-CB 3.27Å; F331-F335 PolarHBondContact O-N 2.92Å; F331-I436 HydrophobicContact CB-CG2 4.45Å; F331-I436 HydrophobicContact CD2-CB 4.42Å; F331-I436 HydrophobicContact CD2-CG2 3.58Å; F331-I436 HydrophobicContact CE2-CG2 4.15Å; F331-I436 HydrophobicContact CG-CG2 4.24Å; F331-V438 HydrophobicContact CD2-CG2 3.74Å; F331-V438 HydrophobicContact CE1-CG2 4.44Å; F331-V438 HydrophobicContact CE2-CB 4.29Å; F331-V438 HydrophobicContact CE2-CG2 3.58Å; F331-V438 HydrophobicContact CG-CG2 4.28Å; F331-V438 HydrophobicContact CZ-CG2 3.95Å
332	L	98.6	Very high	96.6	Very high	1 Å²	1	36 Å²	36	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-60.1	-42.6	177.2	-73.4	166.7	0	0	0	111.8	L288 F302 I317 Y328 G329 F335 S336	L288-L332 HydrophobicContact CB-CD2 3.67Å; L288-L332 HydrophobicContact CB-CG 4.42Å; L288-L332 HydrophobicContact CD2-CD1 4.34Å; L288-L332 HydrophobicContact CD2-CD2 4.02Å; L288-L332 HydrophobicContact CD2-CG 3.88Å; L288-L332 HydrophobicContact CG-CD2 4.48Å; F302-L332 HydrophobicContact CD1-CB 4.39Å; F302-L332 HydrophobicContact CD1-CD2 3.99Å; I317-L332 HydrophobicContact CD1-CB 3.68Å; I317-L332 HydrophobicContact CG1-CB 4.26Å; I317-L332 HydrophobicContact CG1-CD1 4.29Å; Y328-L332 WeakPolarHBondContact O-CG 3.38Å; Y328-L332 PolarHBondContact O-N 2.88Å; G329-L332 PolarHBondContact O-N 2.85Å; L332-F335 PolarHBondContact O-N 3.08Å; L332-S336 PolarHBondContact O-N 3.06Å
333	I	98.3	Very high	96.6	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-62.7	-48	174.5	-65.7	168.1	0	0	0	110.6	I317 G329 K330 F331 F335 S336 Y337 Y361 Y364	I317-I333 HydrophobicContact CD1-CG1 3.71Å; G329-I333 VanDerWaalsContact O-CG1 3.3Å; G329-I333 WeakPolarHBondContact O-CG1 3.41Å; G329-I333 PolarHBondContact O-N 3.2Å; G329-I333 VanDerWaalsContact O-N 3.11Å; K330-I333 PolarHBondContact O-N 3.4Å; F331-I333 VanDerWaalsContact C-N 3.34Å; F331-I333 PolarHBondContact O-N 3.48Å; I333-F335 VanDerWaalsContact C-N 3.26Å; I333-F335 PolarHBondContact O-N 3.06Å; I333-S336 PolarHBondContact O-N 2.94Å; I333-S336 PolarHBondContact O-OG 3.39Å; I333-Y337 HydrophobicContact CG2-CD2 4.07Å; I333-Y337 HydrophobicContact CG2-CE2 3.96Å; I333-Y337 VanDerWaalsContact O-CD2 3.3Å; I333-Y337 WeakPolarHBondContact O-CD2 3.39Å; I333-Y337 PolarHBondContact O-N 3.48Å; I333-Y361 HydrophobicContact CB-CE1 4.38Å; I333-Y361 HydrophobicContact CD1-CD1 4.23Å; I333-Y361 HydrophobicContact CD1-CD2 4.04Å; I333-Y361 HydrophobicContact CD1-CE1 4.32Å; I333-Y361 HydrophobicContact CD1-CE2 4.13Å; I333-Y361 HydrophobicContact CD1-CG 4.08Å; I333-Y361 HydrophobicContact CG1-CD1 4.36Å; I333-Y361 HydrophobicContact CG1-CD2 4.5Å; I333-Y361 HydrophobicContact CG1-CE1 3.97Å; I333-Y361 HydrophobicContact CG1-CE2 4.12Å; I333-Y361 HydrophobicContact CG2-CD1 3.82Å; I333-Y361 HydrophobicContact CG2-CE1 3.61Å; I333-Y364 HydrophobicContact CB-CG 4.37Å; I333-Y364 HydrophobicContact CG2-CD1 3.35Å; I333-Y364 HydrophobicContact CG2-CD2 4.1Å; I333-Y364 HydrophobicContact CG2-CE1 3.76Å; I333-Y364 HydrophobicContact CG2-CE2 4.44Å; I333-Y364 HydrophobicContact CG2-CG 3.54Å
334	A	98.1	Very high	96.5	Very high	11 Å²	11	39.3 Å²	39.3	9%	0.091	19%	0.189	C	C	.	.	H	α-helix	trans	-58.6	-42.8	177.8	0	0	0	0	0	111.3	K330 F331 S336 Y337 E338 Y364 V438	K330-A334 WeakPolarHBondContact O-CB 3.02Å; K330-A334 PolarHBondContact O-N 3.38Å; F331-A334 PolarHBondContact O-N 3.16Å; A334-S336 PolarHBondContact O-N 2.89Å; A334-Y337 PolarHBondContact O-N 3.41Å; A334-E338 PolarHBondContact O-N 3.49Å; A334-Y364 HydrophobicContact CB-CD2 4.43Å; A334-Y364 HydrophobicContact CB-CE2 3.6Å; A334-V438 HydrophobicContact CB-CG2 3.76Å
335	F	98.7	Very high	96.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.9	-41.1	-179.6	-163.5	-86.7	0	0	0	112	I240 Y241 V248 Y286 F302 F331 L332 I333 Y337 E338 L339 V438 L443	I240-F335 HydrophobicContact CD1-CE1 3.87Å; I240-F335 HydrophobicContact CD1-CZ 3.72Å; I240-F335 HydrophobicContact CG1-CZ 4.16Å; Y241-F335 AromaticContact CD2-CE2 3.84Å; Y241-F335 HydrophobicContact CD2-CE2 3.84Å; Y241-F335 AromaticContact CG-CE2 3.76Å; Y241-F335 HydrophobicContact CG-CE2 3.76Å; V248-F335 HydrophobicContact CB-CE1 4.31Å; V248-F335 HydrophobicContact CB-CE2 4.04Å; V248-F335 HydrophobicContact CB-CZ 3.82Å; V248-F335 HydrophobicContact CG1-CD1 4.31Å; V248-F335 HydrophobicContact CG1-CE1 3.77Å; V248-F335 HydrophobicContact CG1-CE2 4.37Å; V248-F335 HydrophobicContact CG1-CZ 3.79Å; V248-F335 HydrophobicContact CG2-CD2 4.04Å; V248-F335 HydrophobicContact CG2-CE2 3.81Å; V248-F335 HydrophobicContact CG2-CZ 4.08Å; Y286-F335 AromaticContact CD1-CE1 3.97Å; Y286-F335 HydrophobicContact CD1-CE1 3.97Å; F302-F335 HydrophobicContact CE1-CB 4.39Å; F302-F335 AromaticContact CE1-CD1 3.85Å; F302-F335 HydrophobicContact CE1-CD1 3.85Å; F302-F335 AromaticContact CZ-CD1 3.99Å; F302-F335 HydrophobicContact CZ-CD1 3.99Å; F331-F335 HydrophobicContact CE1-CD2 4.19Å; F331-F335 HydrophobicContact CZ-CD2 4.26Å; F331-F335 WeakPolarHBondContact O-CB 3.27Å; F331-F335 PolarHBondContact O-N 2.92Å; L332-F335 PolarHBondContact O-N 3.08Å; I333-F335 VanDerWaalsContact C-N 3.26Å; I333-F335 PolarHBondContact O-N 3.06Å; F335-Y337 VanDerWaalsContact C-N 3.28Å; F335-Y337 PolarHBondContact O-N 3.01Å; F335-E338 PolarHBondContact O-N 3.4Å; F335-L339 HydrophobicContact CD1-CD1 4.15Å; F335-L339 HydrophobicContact CD1-CG 4.24Å; F335-L339 HydrophobicContact CE1-CD1 4.05Å; F335-L339 HydrophobicContact CE1-CD2 4.08Å; F335-L339 HydrophobicContact CE1-CG 4.11Å; F335-L339 WeakPolarHBondContact O-CG 3.38Å; F335-L339 PolarHBondContact O-N 3.38Å; F335-L339 VanDerWaalsContact O-N 3.14Å; F335-V438 HydrophobicContact CB-CG2 4.04Å; F335-V438 HydrophobicContact CD2-CG1 3.97Å; F335-V438 HydrophobicContact CD2-CG2 4.16Å; F335-L443 HydrophobicContact CE1-CD1 4.45Å; F335-L443 HydrophobicContact CE2-CD1 3.83Å; F335-L443 HydrophobicContact CZ-CD1 3.52Å
336	S	98.6	Very high	97	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.014	17%	0.171	C	C	.	.	H	α-helix	trans	-62.6	-35.9	176.6	74	0	0	0	0	112.4	V314 L332 I333 A334 L339 S340	V314-S336 VanDerWaalsContact CG2-CB 3.42Å; V314-S336 WeakPolarHBondContact CG2-OG 3.21Å; L332-S336 PolarHBondContact O-N 3.06Å; I333-S336 PolarHBondContact O-N 2.94Å; I333-S336 PolarHBondContact O-OG 3.39Å; A334-S336 PolarHBondContact O-N 2.89Å; S336-L339 PolarHBondContact O-N 2.86Å; S336-S340 PolarHBondContact O-N 3.44Å; S336-S340 PolarHBondContact O-OG 3.1Å
337	Y	98.6	Very high	97.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-71.9	-35.5	173.6	-78.5	-69.3	0	0	0	113.3	I333 A334 F335 L339 S340 K341 G347 Y361 Y364 W365 S390 I391	I333-Y337 HydrophobicContact CG2-CD2 4.07Å; I333-Y337 HydrophobicContact CG2-CE2 3.96Å; I333-Y337 VanDerWaalsContact O-CD2 3.3Å; I333-Y337 WeakPolarHBondContact O-CD2 3.39Å; I333-Y337 PolarHBondContact O-N 3.48Å; A334-Y337 PolarHBondContact O-N 3.41Å; F335-Y337 VanDerWaalsContact C-N 3.28Å; F335-Y337 PolarHBondContact O-N 3.01Å; Y337-L339 VanDerWaalsContact C-N 3.27Å; Y337-L339 PolarHBondContact O-N 2.93Å; Y337-S340 WeakPolarHBondContact O-CB 3.44Å; Y337-S340 PolarHBondContact O-N 2.84Å; Y337-S340 VanDerWaalsContact O-N 3.15Å; Y337-K341 WeakPolarHBondContact O-CG 3.35Å; Y337-K341 PolarHBondContact O-N 3.31Å; Y337-G347 WeakPolarHBondContact CE1-O 3.39Å; Y337-G347 PolarHBondContact OH-O 3.3Å; Y337-Y361 HydrophobicContact CE2-CE1 4.3Å; Y337-Y364 HydrophobicContact CD2-CD1 4.23Å; Y337-Y364 AromaticContact CD2-CE1 3.32Å; Y337-Y364 HydrophobicContact CD2-CE1 3.32Å; Y337-Y364 AromaticContact CD2-CZ 3.84Å; Y337-Y364 HydrophobicContact CE2-CD1 4.11Å; Y337-Y364 AromaticContact CE2-CE1 3.57Å; Y337-Y364 HydrophobicContact CE2-CE1 3.57Å; Y337-Y364 HydrophobicContact CG-CE1 4.25Å; Y337-W365 AromaticContact CE2-NE1 3.65Å; Y337-W365 AromaticContact CZ-NE1 3.56Å; Y337-W365 PolarHBondContact OH-NE1 2.64Å; Y337-S390 WeakPolarHBondContact CE1-O 3.44Å; Y337-I391 HydrophobicContact CD1-CG1 4.06Å; Y337-I391 HydrophobicContact CE1-CB 4.22Å; Y337-I391 HydrophobicContact CE1-CG1 3.64Å; Y337-I391 HydrophobicContact CE2-CG1 4.38Å
338	E	98.4	Very high	97.3	Very high	33 Å²	33	25.1 Å²	25.1	15%	0.154	15%	0.145	C	C	.	.	H	α-helix	trans	-60.6	-37.8	172.9	-68.2	-52.1	134	0	0	111.9	A334 F335 K341 L342 V438 L443	A334-E338 PolarHBondContact O-N 3.49Å; F335-E338 PolarHBondContact O-N 3.4Å; E338-K341 PolarHBondContact O-N 3.34Å; E338-K341 IonicContact OE1-NZ 3.49Å; E338-K341 PolarHBondContact OE1-NZ 2.88Å; E338-K341 IonicContact OE2-NZ 2.69Å; E338-L342 WeakPolarHBondContact O-CG 3.39Å; E338-L342 PolarHBondContact O-N 2.79Å; E338-L342 VanDerWaalsContact O-N 3.14Å; E338-V438 HydrophobicContact CG-CB 4.21Å; E338-V438 HydrophobicContact CG-CG1 3.8Å; E338-L443 HydrophobicContact CB-CD2 3.92Å
339	L	98.1	Very high	97.3	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-64.3	-44.4	172.2	-60.1	176.2	0	0	0	111.7	I240 Y286 F302 F335 S336 Y337 K341 L342 E343 L443 W445	I240-L339 HydrophobicContact CD1-CD2 4.5Å; Y286-L339 HydrophobicContact CD1-CD1 3.9Å; Y286-L339 HydrophobicContact CD2-CD1 4.28Å; Y286-L339 HydrophobicContact CE1-CD1 3.39Å; Y286-L339 HydrophobicContact CE1-CD2 4.33Å; Y286-L339 HydrophobicContact CE1-CG 4.5Å; Y286-L339 HydrophobicContact CE2-CD1 3.84Å; Y286-L339 HydrophobicContact CG-CD1 4.3Å; F302-L339 HydrophobicContact CE2-CD1 4.31Å; F302-L339 HydrophobicContact CZ-CD1 3.8Å; F335-L339 HydrophobicContact CD1-CD1 4.15Å; F335-L339 HydrophobicContact CD1-CG 4.24Å; F335-L339 HydrophobicContact CE1-CD1 4.05Å; F335-L339 HydrophobicContact CE1-CD2 4.08Å; F335-L339 HydrophobicContact CE1-CG 4.11Å; F335-L339 WeakPolarHBondContact O-CG 3.38Å; F335-L339 PolarHBondContact O-N 3.38Å; F335-L339 VanDerWaalsContact O-N 3.14Å; S336-L339 PolarHBondContact O-N 2.86Å; Y337-L339 VanDerWaalsContact C-N 3.27Å; Y337-L339 PolarHBondContact O-N 2.93Å; L339-K341 VanDerWaalsContact C-N 3.29Å; L339-K341 PolarHBondContact O-N 2.66Å; L339-L342 PolarHBondContact O-N 2.93Å; L339-E343 WeakPolarHBondContact O-CG 3.47Å; L339-E343 PolarHBondContact O-N 3.24Å; L339-L443 HydrophobicContact CD2-CD1 4.5Å; L339-L443 HydrophobicContact CD2-CD2 4.4Å; L339-W445 HydrophobicContact CD2-CB 4.48Å; L339-W445 HydrophobicContact CD2-CD2 3.72Å; L339-W445 HydrophobicContact CD2-CE3 3.94Å; L339-W445 HydrophobicContact CD2-CG 3.98Å; L339-W445 HydrophobicContact CD2-CZ2 4.5Å; L339-W445 HydrophobicContact CD2-CZ3 4.39Å
340	S	97.8	Very high	97	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.7	-37	176.6	-63.6	0	0	0	0	112.6	N313 S336 Y337 E343 S344 T345	N313-S340 VanDerWaalsContact CB-OG 3.31Å; N313-S340 WeakPolarHBondContact CB-OG 3.12Å; N313-S340 PolarHBondContact ND2-OG 3.16Å; N313-S340 VanDerWaalsContact ND2-OG 3.17Å; S336-S340 PolarHBondContact O-N 3.44Å; S336-S340 PolarHBondContact O-OG 3.1Å; Y337-S340 WeakPolarHBondContact O-CB 3.44Å; Y337-S340 PolarHBondContact O-N 2.84Å; Y337-S340 VanDerWaalsContact O-N 3.15Å; S340-E343 CarbonylContact O-C 3.57Å; S340-E343 PolarHBondContact O-N 2.81Å; S340-S344 PolarHBondContact O-N 3.41Å; S340-S344 VanDerWaalsContact O-N 3.12Å; S340-T345 CarbonylContact C-O 3.57Å; S340-T345 PolarHBondContact O-N 3.48Å; S340-T345 VanDerWaalsContact O-O 3.1Å
341	K	97.6	Very high	96.6	Very high	71 Å²	71	32.4 Å²	32.4	31%	0.309	17%	0.174	S	C	.	.	H	α-helix	trans	-62.6	-46.1	174.5	-70.6	171.8	-172.6	173.3	0	111.3	Y337 E338 L339 E343 S344 M388 S390	Y337-K341 WeakPolarHBondContact O-CG 3.35Å; Y337-K341 PolarHBondContact O-N 3.31Å; E338-K341 PolarHBondContact O-N 3.34Å; E338-K341 IonicContact OE1-NZ 3.49Å; E338-K341 PolarHBondContact OE1-NZ 2.88Å; E338-K341 IonicContact OE2-NZ 2.69Å; L339-K341 VanDerWaalsContact C-N 3.29Å; L339-K341 PolarHBondContact O-N 2.66Å; K341-E343 VanDerWaalsContact C-N 3.25Å; K341-E343 PolarHBondContact O-N 2.9Å; K341-S344 PolarHBondContact O-N 3.19Å; K341-M388 WeakPolarHBondContact CE-O 3.38Å; K341-S390 WeakPolarHBondContact CA-OG 3.19Å; K341-S390 WeakPolarHBondContact CG-OG 3.36Å; K341-S390 PolarHBondContact N-OG 3.33Å
342	L	96.3	Very high	95.9	Very high	77 Å²	77	37.3 Å²	37.3	40%	0.403	21%	0.206	S	C	.	.	H	α-helix	trans	-64.6	-29.7	176.3	-69	174.3	0	0	0	112.6	E338 L339 S344 L443 W445 P447	E338-L342 WeakPolarHBondContact O-CG 3.39Å; E338-L342 PolarHBondContact O-N 2.79Å; E338-L342 VanDerWaalsContact O-N 3.14Å; L339-L342 PolarHBondContact O-N 2.93Å; L342-S344 VanDerWaalsContact C-N 3.26Å; L342-L443 HydrophobicContact CD1-CD2 3.64Å; L342-L443 HydrophobicContact CD1-CG 4.12Å; L342-W445 HydrophobicContact CB-CE3 3.87Å; L342-W445 HydrophobicContact CB-CZ3 3.77Å; L342-W445 HydrophobicContact CD1-CB 4.44Å; L342-W445 HydrophobicContact CD1-CE3 3.73Å; L342-W445 HydrophobicContact CD1-CZ3 4.46Å; L342-W445 HydrophobicContact CG-CE3 4.47Å; L342-P447 VanDerWaalsContact O-CG 3.32Å; L342-P447 WeakPolarHBondContact O-CG 3.5Å
343	E	95.4	Very high	95.2	Very high	17 Å²	17	38.8 Å²	38.8	8%	0.079	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-5.6	171.9	-71.5	177.8	141.7	0	0	113.8	K304 L339 S340 K341 T345 W445 P447 K451	K304-E343 IonicContact NZ-OE1 3.9Å; K304-E343 PolarHBondContact NZ-OE1 3.22Å; K304-E343 IonicContact NZ-OE2 3.58Å; K304-E343 PolarHBondContact NZ-OE2 3.05Å; L339-E343 WeakPolarHBondContact O-CG 3.47Å; L339-E343 PolarHBondContact O-N 3.24Å; S340-E343 CarbonylContact O-C 3.57Å; S340-E343 PolarHBondContact O-N 2.81Å; K341-E343 VanDerWaalsContact C-N 3.25Å; K341-E343 PolarHBondContact O-N 2.9Å; E343-T345 HydrophobicContact CB-CG2 3.8Å; E343-T345 PolarHBondContact O-N 3.47Å; E343-W445 HydrophobicContact CG-CH2 3.6Å; E343-W445 HydrophobicContact CG-CZ3 3.92Å; E343-P447 HydrophobicContact CG-CB 4.2Å; E343-P447 HydrophobicContact CG-CG 4.07Å; E343-K451 IonicContact OE1-NZ 3.18Å; E343-K451 PolarHBondContact OE1-NZ 3.44Å
344	S	96.1	Very high	94.6	Very high	99 Å²	99	41.5 Å²	41.5	69%	0.692	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	37.7	-172.8	-58.1	0	0	0	0	112.9	S340 K341 L342	S340-S344 PolarHBondContact O-N 3.41Å; S340-S344 VanDerWaalsContact O-N 3.12Å; K341-S344 PolarHBondContact O-N 3.19Å; L342-S344 VanDerWaalsContact C-N 3.26Å
345	T	96.3	Very high	93.9	Very high	64 Å²	64	45.6 Å²	45.6	39%	0.393	25%	0.253	S	S	.	.			trans	-123.6	157.1	177.8	-166.8	0	0	0	0	110.8	S340 E343 S390	S340-T345 CarbonylContact C-O 3.57Å; S340-T345 PolarHBondContact O-N 3.48Å; S340-T345 VanDerWaalsContact O-O 3.1Å; E343-T345 HydrophobicContact CB-CG2 3.8Å; E343-T345 PolarHBondContact O-N 3.47Å; T345-S390 WeakPolarHBondContact O-CB 3.34Å; T345-S390 PolarHBondContact O-OG 3.42Å
346	V	97.4	Very high	93.3	Very high	61 Å²	61	49.7 Å²	49.7	37%	0.37	27%	0.274	S	S	.	.			trans	-90.3	157.1	164.4	-59.8	0	0	0	0	109.6	S386 S390	V346-S386 WeakPolarHBondContact CG1-OG 3.47Å; V346-S390 CarbonylContact C-O 3.57Å; V346-S390 VanDerWaalsContact CA-O 3.24Å; V346-S390 WeakPolarHBondContact CA-O 3.24Å
347	G	96.5	Very high	93	Very high	2 Å²	2	50 Å²	50	2%	0.021	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-156.4	159	177.8	0	0	0	0	0	113.5	G311 Y337 S390 T392	G311-G347 WeakPolarHBondContact O-CA 3.35Å; Y337-G347 WeakPolarHBondContact CE1-O 3.39Å; Y337-G347 PolarHBondContact OH-O 3.3Å; G347-S390 PolarHBondContact N-O 2.94Å; G347-T392 WeakPolarHBondContact O-CG2 3.46Å
348	S	96.9	Very high	92.6	Very high	12 Å²	12	52.7 Å²	52.7	8%	0.084	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	156.5	174	-156	0	0	0	0	108.4	N312 N313 D395	N312-S348 CarbonylContact C-O 3.51Å; N312-S348 WeakPolarHBondContact CA-O 3.39Å; N313-S348 PolarHBondContact N-O 3.5Å; N313-S348 VanDerWaalsContact OD1-C 3.29Å; N313-S348 PolarHBondContact OD1-O 3.43Å; N313-S348 VanDerWaalsContact OD1-O 3.13Å; S348-D395 WeakPolarHBondContact CB-OD2 3.47Å; S348-D395 PolarHBondContact OG-OD2 2.56Å
349	P	96.5	Very high	92.2	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.013	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	149.2	165.6	27.9	-35.8	0	0	0	111.9	V314 L353 Y361 W365	V314-P349 HydrophobicContact CB-CB 4.36Å; P349-L353 HydrophobicContact CB-CD1 4.48Å; P349-L353 HydrophobicContact CB-CD2 3.9Å; P349-L353 HydrophobicContact CB-CG 4.44Å; P349-L353 HydrophobicContact CG-CD1 3.83Å; P349-L353 HydrophobicContact CG-CD2 4.17Å; P349-L353 HydrophobicContact CG-CG 4.29Å; P349-Y361 HydrophobicContact CB-CE1 4.06Å; P349-Y361 HydrophobicContact CB-CE2 3.85Å; P349-Y361 HydrophobicContact CG-CD1 3.95Å; P349-Y361 HydrophobicContact CG-CD2 4.1Å; P349-Y361 HydrophobicContact CG-CE1 3.7Å; P349-Y361 HydrophobicContact CG-CE2 3.87Å; P349-Y361 HydrophobicContact CG-CG 4.15Å; P349-W365 HydrophobicContact CG-CZ2 4.48Å
350	E	89.4	Confident	91.9	Very high	80 Å²	80	57.3 Å²	57.3	37%	0.374	32%	0.318	S	S	.	.			trans	-56.3	145.2	168.5	-170.1	-176.3	157.8	0	0	110.9	N312 V314 A315	N312-E350 HydrophobicContact CB-CB 4.42Å; V314-E350 WeakPolarHBondContact O-CB 3.44Å; V314-E350 PolarHBondContact O-N 3.16Å; A315-E350 VanDerWaalsContact CA-OE2 3.22Å; A315-E350 WeakPolarHBondContact CA-OE2 3.43Å; A315-E350 VanDerWaalsContact CB-OE2 3.29Å; A315-E350 WeakPolarHBondContact CB-OE2 3.49Å
351	K	86.2	Confident	91.8	Very high	145 Å²	145	57.4 Å²	57.4	63%	0.63	32%	0.318	S	S	*	.	S	Bend	trans	-115.5	146.8	-178.1	-66.1	174.2	-175.2	171.5	0	109.4
352	P	84.8	Confident	91.6	Very high	103 Å²	103	59.1 Å²	59.1	67%	0.669	32%	0.323	S	S	*	.	S	Bend	cis	-80.9	140.8	4.3	31.6	-34.5	0	0	0	113.9
353	L	82.1	Confident	91.4	Very high	32 Å²	32	56.1 Å²	56.1	17%	0.168	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-78.9	146.8	171.2	-78.2	173.3	0	0	0	111.5	P349 K358 Y361	P349-L353 HydrophobicContact CB-CD1 4.48Å; P349-L353 HydrophobicContact CB-CD2 3.9Å; P349-L353 HydrophobicContact CB-CG 4.44Å; P349-L353 HydrophobicContact CG-CD1 3.83Å; P349-L353 HydrophobicContact CG-CD2 4.17Å; P349-L353 HydrophobicContact CG-CG 4.29Å; L353-K358 HydrophobicContact CB-CG 3.59Å; L353-K358 HydrophobicContact CD1-CG 4.2Å; L353-K358 WeakPolarHBondContact O-CE 3.38Å; L353-K358 PolarHBondContact O-NZ 2.98Å; L353-Y361 HydrophobicContact CD1-CD2 3.86Å; L353-Y361 HydrophobicContact CD1-CE2 4.45Å; L353-Y361 HydrophobicContact CD1-CG 4.39Å; L353-Y361 HydrophobicContact CD2-CD2 4.1Å; L353-Y361 HydrophobicContact CD2-CE2 3.95Å
354	S	85.8	Confident	91.4	Very high	60 Å²	60	55.7 Å²	55.7	42%	0.42	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-64.2	157.1	165	69.9	0	0	0	0	111.3	L356 G357 K358	S354-L356 VanDerWaalsContact C-N 3.28Å; S354-L356 PolarHBondContact O-N 3.45Å; S354-G357 CarbonylContact O-C 3.53Å; S354-G357 VanDerWaalsContact O-CA 3.32Å; S354-G357 WeakPolarHBondContact O-CA 3.4Å; S354-G357 PolarHBondContact O-N 3.19Å; S354-G357 PolarHBondContact OG-N 3.48Å; S354-G357 VanDerWaalsContact OG-N 3.16Å; S354-K358 PolarHBondContact O-N 3.28Å
355	D	83.9	Confident	91.4	Very high	97 Å²	97	52 Å²	52	52%	0.519	28%	0.277	S	S	.	.	H	α-helix	trans	-59.3	-40.4	-178.7	-63	-23.5	0	0	0	112.6	G357 K358 L359	D355-G357 VanDerWaalsContact C-N 3.31Å; D355-G357 PolarHBondContact O-N 3.12Å; D355-K358 PolarHBondContact O-N 3.05Å; D355-K358 IonicContact OD1-NZ 3.75Å; D355-K358 PolarHBondContact OD1-NZ 3.1Å; D355-L359 WeakPolarHBondContact O-CG 3.32Å; D355-L359 PolarHBondContact O-N 3.38Å
356	L	87	Confident	91.3	Very high	85 Å²	85	49 Å²	49	45%	0.445	26%	0.258	S	S	.	.	H	α-helix	trans	-64.9	-37.9	174	-174.1	61.9	0	0	0	111.5	S354 S360	S354-L356 VanDerWaalsContact C-N 3.28Å; S354-L356 PolarHBondContact O-N 3.45Å; L356-S360 WeakPolarHBondContact O-CB 3.34Å; L356-S360 PolarHBondContact O-N 3.2Å; L356-S360 PolarHBondContact O-OG 2.62Å
357	G	91.1	Very high	91.2	Very high	10 Å²	10	47.2 Å²	47.2	10%	0.103	25%	0.245	C	C	.	.	H	α-helix	trans	-59.6	-53.4	172.9	0	0	0	0	0	111.7	S354 D355 L359 S360 Y361	S354-G357 CarbonylContact O-C 3.53Å; S354-G357 VanDerWaalsContact O-CA 3.32Å; S354-G357 WeakPolarHBondContact O-CA 3.4Å; S354-G357 PolarHBondContact O-N 3.19Å; S354-G357 PolarHBondContact OG-N 3.48Å; S354-G357 VanDerWaalsContact OG-N 3.16Å; D355-G357 VanDerWaalsContact C-N 3.31Å; D355-G357 PolarHBondContact O-N 3.12Å; G357-L359 PolarHBondContact O-N 3.37Å; G357-S360 WeakPolarHBondContact O-CB 3.23Å; G357-S360 PolarHBondContact O-N 3.16Å; G357-S360 VanDerWaalsContact O-N 3.08Å; G357-Y361 WeakPolarHBondContact O-CD2 3.36Å; G357-Y361 PolarHBondContact O-N 3.18Å
358	K	90.1	Very high	91.1	Very high	56 Å²	56	48 Å²	48	24%	0.243	25%	0.249	C	C	.	.	H	α-helix	trans	-55.5	-48.1	178.8	-67.4	174.5	-170.4	142.4	0	112.2	H151 L353 S354 D355 S360 Y361 R362	H151-K358 PolarHBondContact CD2-NZ 3.45Å; H151-K358 WeakPolarHBondContact NE2-CD 3.27Å; H151-K358 WeakPolarHBondContact NE2-CE 3.43Å; H151-K358 PolarHBondContact NE2-NZ 2.97Å; H151-K358 VanDerWaalsContact NE2-NZ 3.19Å; L353-K358 HydrophobicContact CB-CG 3.59Å; L353-K358 HydrophobicContact CD1-CG 4.2Å; L353-K358 WeakPolarHBondContact O-CE 3.38Å; L353-K358 PolarHBondContact O-NZ 2.98Å; S354-K358 PolarHBondContact O-N 3.28Å; D355-K358 PolarHBondContact O-N 3.05Å; D355-K358 IonicContact OD1-NZ 3.75Å; D355-K358 PolarHBondContact OD1-NZ 3.1Å; K358-S360 VanDerWaalsContact C-N 3.3Å; K358-S360 PolarHBondContact O-N 3.37Å; K358-Y361 PolarHBondContact O-N 3.05Å; K358-R362 WeakPolarHBondContact O-CB 3.29Å; K358-R362 PolarHBondContact O-N 3.12Å
359	L	90.1	Very high	91	Very high	97 Å²	97	47.4 Å²	47.4	51%	0.508	25%	0.245	S	C	.	.	H	α-helix	trans	-60.7	-40.4	177.7	-73.1	173.3	0	0	0	111.9	D355 G357 S363	D355-L359 WeakPolarHBondContact O-CG 3.32Å; D355-L359 PolarHBondContact O-N 3.38Å; G357-L359 PolarHBondContact O-N 3.37Å; L359-S363 VanDerWaalsContact O-CB 3.29Å; L359-S363 WeakPolarHBondContact O-CB 3.4Å; L359-S363 PolarHBondContact O-N 3.45Å
360	S	92.9	Very high	90.9	Very high	34 Å²	34	47.3 Å²	47.3	24%	0.238	25%	0.245	C	C	.	.	H	α-helix	trans	-68.3	-47.3	179.9	-59.2	0	0	0	0	112.1	L356 G357 K358 S363 Y364	L356-S360 WeakPolarHBondContact O-CB 3.34Å; L356-S360 PolarHBondContact O-N 3.2Å; L356-S360 PolarHBondContact O-OG 2.62Å; G357-S360 WeakPolarHBondContact O-CB 3.23Å; G357-S360 PolarHBondContact O-N 3.16Å; G357-S360 VanDerWaalsContact O-N 3.08Å; K358-S360 VanDerWaalsContact C-N 3.3Å; K358-S360 PolarHBondContact O-N 3.37Å; S360-S363 PolarHBondContact O-N 3.43Å; S360-Y364 WeakPolarHBondContact O-CB 3.41Å; S360-Y364 PolarHBondContact O-N 2.95Å
361	Y	95.6	Very high	91	Very high	1 Å²	1	46 Å²	46	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-63.1	-46.6	176.6	-85.8	-80.7	0	0	0	111.8	V314 I317 I333 Y337 P349 L353 G357 K358 S363 Y364 W365	V314-Y361 WeakPolarHBondContact CG2-OH 3.36Å; I317-Y361 HydrophobicContact CG2-CE2 4.32Å; I333-Y361 HydrophobicContact CB-CE1 4.38Å; I333-Y361 HydrophobicContact CD1-CD1 4.23Å; I333-Y361 HydrophobicContact CD1-CD2 4.04Å; I333-Y361 HydrophobicContact CD1-CE1 4.32Å; I333-Y361 HydrophobicContact CD1-CE2 4.13Å; I333-Y361 HydrophobicContact CD1-CG 4.08Å; I333-Y361 HydrophobicContact CG1-CD1 4.36Å; I333-Y361 HydrophobicContact CG1-CD2 4.5Å; I333-Y361 HydrophobicContact CG1-CE1 3.97Å; I333-Y361 HydrophobicContact CG1-CE2 4.12Å; I333-Y361 HydrophobicContact CG2-CD1 3.82Å; I333-Y361 HydrophobicContact CG2-CE1 3.61Å; Y337-Y361 HydrophobicContact CE2-CE1 4.3Å; P349-Y361 HydrophobicContact CB-CE1 4.06Å; P349-Y361 HydrophobicContact CB-CE2 3.85Å; P349-Y361 HydrophobicContact CG-CD1 3.95Å; P349-Y361 HydrophobicContact CG-CD2 4.1Å; P349-Y361 HydrophobicContact CG-CE1 3.7Å; P349-Y361 HydrophobicContact CG-CE2 3.87Å; P349-Y361 HydrophobicContact CG-CG 4.15Å; L353-Y361 HydrophobicContact CD1-CD2 3.86Å; L353-Y361 HydrophobicContact CD1-CE2 4.45Å; L353-Y361 HydrophobicContact CD1-CG 4.39Å; L353-Y361 HydrophobicContact CD2-CD2 4.1Å; L353-Y361 HydrophobicContact CD2-CE2 3.95Å; G357-Y361 WeakPolarHBondContact O-CD2 3.36Å; G357-Y361 PolarHBondContact O-N 3.18Å; K358-Y361 PolarHBondContact O-N 3.05Å; Y361-S363 VanDerWaalsContact C-N 3.33Å; Y361-S363 PolarHBondContact O-N 3.44Å; Y361-Y364 PolarHBondContact O-N 2.83Å; Y361-Y364 VanDerWaalsContact O-N 3.16Å; Y361-W365 AromaticContact CD1-CE2 3.88Å; Y361-W365 HydrophobicContact CD1-CH2 4.49Å; Y361-W365 AromaticContact CD1-CZ2 3.71Å; Y361-W365 HydrophobicContact CD1-CZ2 3.71Å; Y361-W365 HydrophobicContact CG-CZ2 4.21Å; Y361-W365 VanDerWaalsContact O-CG 3.28Å; Y361-W365 PolarHBondContact O-N 2.98Å
362	R	93.1	Very high	91.3	Very high	108 Å²	108	40.4 Å²	40.4	41%	0.408	22%	0.215	S	C	.	.	H	α-helix	trans	-59.2	-44.9	176.6	-170.1	174.7	71.6	-179.5	2.6	111.4	K358 Y364 S366	K358-R362 WeakPolarHBondContact O-CB 3.29Å; K358-R362 PolarHBondContact O-N 3.12Å; R362-Y364 VanDerWaalsContact C-N 3.35Å; R362-Y364 PolarHBondContact O-N 3.39Å; R362-S366 WeakPolarHBondContact O-CB 3.46Å; R362-S366 PolarHBondContact O-N 3.01Å; R362-S366 PolarHBondContact O-OG 3.16Å
363	S	92.3	Very high	91.7	Very high	14 Å²	14	36.6 Å²	36.6	10%	0.098	19%	0.189	C	C	.	.	H	α-helix	trans	-63.7	-39.2	177.1	-176.4	0	0	0	0	112.6	K330 L359 S360 Y361 W367 Q430	K330-S363 WeakPolarHBondContact CE-OG 3.48Å; K330-S363 PolarHBondContact NZ-OG 3.01Å; L359-S363 VanDerWaalsContact O-CB 3.29Å; L359-S363 WeakPolarHBondContact O-CB 3.4Å; L359-S363 PolarHBondContact O-N 3.45Å; S360-S363 PolarHBondContact O-N 3.43Å; Y361-S363 VanDerWaalsContact C-N 3.33Å; Y361-S363 PolarHBondContact O-N 3.44Å; S363-W367 WeakPolarHBondContact O-CB 3.4Å; S363-W367 PolarHBondContact O-N 3.23Å; S363-W367 VanDerWaalsContact O-N 3.16Å; S363-Q430 PolarHBondContact OG-O 3.08Å
364	Y	94.9	Very high	92.1	Very high	7 Å²	7	39 Å²	39	3%	0.027	20%	0.196	C	C	.	.	H	α-helix	trans	-66.1	-51.8	176	170.7	-97.8	0	0	0	111.8	I333 A334 Y337 S360 Y361 R362 S366 W367 V368	I333-Y364 HydrophobicContact CB-CG 4.37Å; I333-Y364 HydrophobicContact CG2-CD1 3.35Å; I333-Y364 HydrophobicContact CG2-CD2 4.1Å; I333-Y364 HydrophobicContact CG2-CE1 3.76Å; I333-Y364 HydrophobicContact CG2-CE2 4.44Å; I333-Y364 HydrophobicContact CG2-CG 3.54Å; A334-Y364 HydrophobicContact CB-CD2 4.43Å; A334-Y364 HydrophobicContact CB-CE2 3.6Å; Y337-Y364 HydrophobicContact CD2-CD1 4.23Å; Y337-Y364 AromaticContact CD2-CE1 3.32Å; Y337-Y364 HydrophobicContact CD2-CE1 3.32Å; Y337-Y364 AromaticContact CD2-CZ 3.84Å; Y337-Y364 HydrophobicContact CE2-CD1 4.11Å; Y337-Y364 AromaticContact CE2-CE1 3.57Å; Y337-Y364 HydrophobicContact CE2-CE1 3.57Å; Y337-Y364 HydrophobicContact CG-CE1 4.25Å; S360-Y364 WeakPolarHBondContact O-CB 3.41Å; S360-Y364 PolarHBondContact O-N 2.95Å; Y361-Y364 PolarHBondContact O-N 2.83Å; Y361-Y364 VanDerWaalsContact O-N 3.16Å; R362-Y364 VanDerWaalsContact C-N 3.35Å; R362-Y364 PolarHBondContact O-N 3.39Å; Y364-S366 PolarHBondContact O-N 2.93Å; Y364-W367 HydrophobicContact CD2-CE3 4.21Å; Y364-W367 HydrophobicContact CD2-CZ3 4.37Å; Y364-W367 HydrophobicContact CE2-CE3 4.42Å; Y364-W367 HydrophobicContact CE2-CZ3 4.21Å; Y364-W367 PolarHBondContact O-N 3.19Å; Y364-V368 HydrophobicContact CD1-CG2 4.48Å; Y364-V368 HydrophobicContact CD2-CG2 4.11Å; Y364-V368 HydrophobicContact CE1-CG2 4.03Å; Y364-V368 HydrophobicContact CE2-CG2 3.61Å; Y364-V368 WeakPolarHBondContact O-CG2 3.38Å; Y364-V368 PolarHBondContact O-N 3.22Å
365	W	96.7	Very high	92.1	Very high	22 Å²	22	40.7 Å²	40.7	8%	0.083	20%	0.2	C	C	.	.	H	α-helix	trans	-59.7	-46.6	179.4	-63.5	-31.4	0	0	0	111.6	Y337 P349 Y361 W367 V368 L369 I391 D395 T399	Y337-W365 AromaticContact CE2-NE1 3.65Å; Y337-W365 AromaticContact CZ-NE1 3.56Å; Y337-W365 PolarHBondContact OH-NE1 2.64Å; P349-W365 HydrophobicContact CG-CZ2 4.48Å; Y361-W365 AromaticContact CD1-CE2 3.88Å; Y361-W365 HydrophobicContact CD1-CH2 4.49Å; Y361-W365 AromaticContact CD1-CZ2 3.71Å; Y361-W365 HydrophobicContact CD1-CZ2 3.71Å; Y361-W365 HydrophobicContact CG-CZ2 4.21Å; Y361-W365 VanDerWaalsContact O-CG 3.28Å; Y361-W365 PolarHBondContact O-N 2.98Å; W365-W367 VanDerWaalsContact C-N 3.31Å; W365-W367 PolarHBondContact O-N 3.04Å; W365-V368 PolarHBondContact O-N 3.33Å; W365-L369 WeakPolarHBondContact O-CB 3.36Å; W365-L369 VanDerWaalsContact O-CG 3.23Å; W365-L369 WeakPolarHBondContact O-CG 3.38Å; W365-L369 PolarHBondContact O-N 2.72Å; W365-I391 HydrophobicContact CG-CD1 4.36Å; W365-D395 HydrophobicContact CD2-CB 4.35Å; W365-D395 HydrophobicContact CE3-CB 4.29Å; W365-D395 HydrophobicContact CH2-CB 3.87Å; W365-D395 HydrophobicContact CZ2-CB 3.92Å; W365-D395 HydrophobicContact CZ3-CB 4.06Å; W365-T399 HydrophobicContact CB-CG2 3.98Å
366	S	94.9	Very high	92.2	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.1	-46.1	176.4	-62.7	0	0	0	0	111.5	R362 Y364 L370	R362-S366 WeakPolarHBondContact O-CB 3.46Å; R362-S366 PolarHBondContact O-N 3.01Å; R362-S366 PolarHBondContact O-OG 3.16Å; Y364-S366 PolarHBondContact O-N 2.93Å; S366-L370 VanDerWaalsContact O-CB 3.28Å; S366-L370 WeakPolarHBondContact O-CB 3.39Å; S366-L370 WeakPolarHBondContact O-CD1 3.47Å; S366-L370 WeakPolarHBondContact O-CG 3.46Å; S366-L370 PolarHBondContact O-N 2.94Å
367	W	93.6	Very high	91.8	Very high	25 Å²	25	45.6 Å²	45.6	10%	0.095	21%	0.208	C	C	.	.	H	α-helix	trans	-61.9	-50	179.6	168.9	58.3	0	0	0	112.5	S363 Y364 W365 L369 L370 E371 Y431 K433 P434 T437	S363-W367 WeakPolarHBondContact O-CB 3.4Å; S363-W367 PolarHBondContact O-N 3.23Å; S363-W367 VanDerWaalsContact O-N 3.16Å; Y364-W367 HydrophobicContact CD2-CE3 4.21Å; Y364-W367 HydrophobicContact CD2-CZ3 4.37Å; Y364-W367 HydrophobicContact CE2-CE3 4.42Å; Y364-W367 HydrophobicContact CE2-CZ3 4.21Å; Y364-W367 PolarHBondContact O-N 3.19Å; W365-W367 VanDerWaalsContact C-N 3.31Å; W365-W367 PolarHBondContact O-N 3.04Å; W367-L369 PolarHBondContact O-N 3.19Å; W367-L370 PolarHBondContact O-N 3.12Å; W367-E371 WeakPolarHBondContact CZ2-OE2 3.44Å; W367-E371 WeakPolarHBondContact O-CB 3.27Å; W367-E371 PolarHBondContact O-N 2.87Å; W367-Y431 VanDerWaalsContact CD1-O 3.29Å; W367-K433 HydrophobicContact CZ2-CG 4.02Å; W367-P434 VanDerWaalsContact CD2-CD 3.46Å; W367-P434 HydrophobicContact CD2-CG 3.92Å; W367-P434 HydrophobicContact CE3-CG 3.64Å; W367-P434 HydrophobicContact CH2-CG 3.89Å; W367-P434 HydrophobicContact CZ2-CG 4.17Å; W367-P434 HydrophobicContact CZ3-CG 3.62Å; W367-T437 HydrophobicContact CH2-CG2 4.14Å
368	V	94.9	Very high	91.3	Very high	17 Å²	17	48.4 Å²	48.4	10%	0.103	24%	0.237	C	C	.	.	H	α-helix	trans	-60.8	-45.4	-179.6	171.8	0	0	0	0	111.4	Y364 W365 E371 I372 T389 I391	Y364-V368 HydrophobicContact CD1-CG2 4.48Å; Y364-V368 HydrophobicContact CD2-CG2 4.11Å; Y364-V368 HydrophobicContact CE1-CG2 4.03Å; Y364-V368 HydrophobicContact CE2-CG2 3.61Å; Y364-V368 WeakPolarHBondContact O-CG2 3.38Å; Y364-V368 PolarHBondContact O-N 3.22Å; W365-V368 PolarHBondContact O-N 3.33Å; V368-E371 PolarHBondContact O-N 3.43Å; V368-I372 HydrophobicContact CG1-CD1 4.01Å; V368-I372 WeakPolarHBondContact O-CG1 3.31Å; V368-I372 PolarHBondContact O-N 3.17Å; V368-I372 VanDerWaalsContact O-N 3.12Å; V368-T389 HydrophobicContact CG1-CG2 3.64Å; V368-I391 HydrophobicContact CG1-CD1 4.44Å
369	L	95.4	Very high	90.9	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-66.8	-41.7	-179.5	-65.2	-177	0	0	0	111.9	W365 W367 I372 L373 L385 I396 T399 L400	W365-L369 WeakPolarHBondContact O-CB 3.36Å; W365-L369 VanDerWaalsContact O-CG 3.23Å; W365-L369 WeakPolarHBondContact O-CG 3.38Å; W365-L369 PolarHBondContact O-N 2.72Å; W367-L369 PolarHBondContact O-N 3.19Å; L369-I372 PolarHBondContact O-N 3.37Å; L369-L373 WeakPolarHBondContact O-CB 3.41Å; L369-L373 WeakPolarHBondContact O-CG 3.43Å; L369-L373 PolarHBondContact O-N 2.91Å; L369-L385 HydrophobicContact CD2-CB 4.4Å; L369-L385 HydrophobicContact CD2-CD1 4.11Å; L369-L385 HydrophobicContact CD2-CD2 4.23Å; L369-L385 HydrophobicContact CD2-CG 4.5Å; L369-I396 HydrophobicContact CD1-CB 4.49Å; L369-I396 HydrophobicContact CD1-CG1 4.47Å; L369-I396 HydrophobicContact CD1-CG2 4.14Å; L369-I396 HydrophobicContact CD2-CG1 4.3Å; L369-I396 HydrophobicContact CD2-CG2 4.48Å; L369-T399 HydrophobicContact CD1-CG2 3.85Å; L369-L400 HydrophobicContact CD1-CD2 4.09Å; L369-L400 HydrophobicContact CD1-CG 4.12Å
370	L	93.8	Very high	91	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-39.4	176.8	-71.8	168	0	0	0	112.1	S366 W367 L373 R374 L403 M405 V422 H425 L426 Y431	S366-L370 VanDerWaalsContact O-CB 3.28Å; S366-L370 WeakPolarHBondContact O-CB 3.39Å; S366-L370 WeakPolarHBondContact O-CD1 3.47Å; S366-L370 WeakPolarHBondContact O-CG 3.46Å; S366-L370 PolarHBondContact O-N 2.94Å; W367-L370 PolarHBondContact O-N 3.12Å; L370-L373 PolarHBondContact O-N 3.13Å; L370-R374 WeakPolarHBondContact O-CB 3.28Å; L370-R374 PolarHBondContact O-N 3.2Å; L370-L403 HydrophobicContact CD2-CD1 4.38Å; L370-L403 HydrophobicContact CG-CD1 4.32Å; L370-M405 HydrophobicContact CD2-CE 3.65Å; L370-M405 HydrophobicContact CD2-SD 3.89Å; L370-V422 HydrophobicContact CB-CG1 4.46Å; L370-V422 HydrophobicContact CD2-CG1 4.08Å; L370-V422 WeakPolarHBondContact O-CG1 3.37Å; L370-H425 HydrophobicContact CD1-CB 3.73Å; L370-H425 HydrophobicContact CD2-CB 3.75Å; L370-H425 HydrophobicContact CG-CB 4.43Å; L370-L426 HydrophobicContact CB-CD2 3.66Å; L370-L426 HydrophobicContact CB-CG 4.05Å; L370-L426 HydrophobicContact CD1-CD2 4.28Å; L370-Y431 HydrophobicContact CD1-CD2 4.16Å; L370-Y431 HydrophobicContact CD1-CG 3.97Å
371	E	91.9	Very high	91	Very high	51 Å²	51	49.6 Å²	49.6	24%	0.238	25%	0.252	C	S	.	.	H	α-helix	trans	-62.5	-46	176.9	-173.2	165.7	-136.5	0	0	111.5	W367 V368 R374 D375	W367-E371 WeakPolarHBondContact CZ2-OE2 3.44Å; W367-E371 WeakPolarHBondContact O-CB 3.27Å; W367-E371 PolarHBondContact O-N 2.87Å; V368-E371 PolarHBondContact O-N 3.43Å; E371-R374 WeakPolarHBondContact O-CB 3.45Å; E371-R374 PolarHBondContact O-N 2.92Å; E371-R374 IonicContact OE1-NH2 2.77Å; E371-D375 PolarHBondContact O-N 3.49Å
372	I	93.4	Very high	91	Very high	29 Å²	29	50.1 Å²	50.1	15%	0.149	26%	0.255	C	S	.	.	H	α-helix	trans	-63.2	-46	176.4	-65.8	167.6	0	0	0	111.1	V368 L369 R374 D375 F376 L380 L385 M388 T389	V368-I372 HydrophobicContact CG1-CD1 4.01Å; V368-I372 WeakPolarHBondContact O-CG1 3.31Å; V368-I372 PolarHBondContact O-N 3.17Å; V368-I372 VanDerWaalsContact O-N 3.12Å; L369-I372 PolarHBondContact O-N 3.37Å; I372-R374 VanDerWaalsContact C-N 3.25Å; I372-R374 PolarHBondContact O-N 3.42Å; I372-D375 PolarHBondContact O-N 3Å; I372-F376 VanDerWaalsContact O-CB 3.29Å; I372-F376 WeakPolarHBondContact O-CB 3.39Å; I372-F376 PolarHBondContact O-N 2.87Å; I372-L380 HydrophobicContact CG2-CD1 3.89Å; I372-L385 HydrophobicContact CB-CD2 4.29Å; I372-L385 HydrophobicContact CD1-CD2 4.38Å; I372-L385 HydrophobicContact CG2-CD2 3.66Å; I372-M388 HydrophobicContact CD1-CE 4.43Å; I372-M388 HydrophobicContact CG1-CE 4.45Å; I372-M388 HydrophobicContact CG2-CE 3.87Å; I372-M388 HydrophobicContact CG2-SD 4.36Å; I372-T389 HydrophobicContact CD1-CG2 3.31Å
373	L	92.3	Very high	91.1	Very high	22 Å²	22	50.7 Å²	50.7	12%	0.115	26%	0.261	C	S	.	.	H	α-helix	trans	-65.4	-27.8	-179.3	-70.8	172.5	0	0	0	113	L369 L370 L380 L400 M405 I415 V417 V422	L369-L373 WeakPolarHBondContact O-CB 3.41Å; L369-L373 WeakPolarHBondContact O-CG 3.43Å; L369-L373 PolarHBondContact O-N 2.91Å; L370-L373 PolarHBondContact O-N 3.13Å; L373-L380 HydrophobicContact CD2-CD1 3.98Å; L373-L400 HydrophobicContact CD1-CD2 4.09Å; L373-M405 HydrophobicContact CD1-SD 4.27Å; L373-I415 HydrophobicContact CD2-CG2 4.16Å; L373-V417 HydrophobicContact CD1-CG1 4.4Å; L373-V417 HydrophobicContact CD2-CG1 4.2Å; L373-V422 HydrophobicContact CB-CG1 4.45Å; L373-V422 HydrophobicContact CB-CG2 4.05Å
374	R	90.6	Very high	91.2	Very high	83 Å²	83	52.8 Å²	52.8	31%	0.313	27%	0.271	S	S	.	.	H	α-helix	trans	-69	-47.4	174.3	-178.5	-167.7	67.2	-152.2	-8.3	111.5	L370 E371 I372 R377 V422 E423 L426	L370-R374 WeakPolarHBondContact O-CB 3.28Å; L370-R374 PolarHBondContact O-N 3.2Å; E371-R374 WeakPolarHBondContact O-CB 3.45Å; E371-R374 PolarHBondContact O-N 2.92Å; E371-R374 IonicContact OE1-NH2 2.77Å; I372-R374 VanDerWaalsContact C-N 3.25Å; I372-R374 PolarHBondContact O-N 3.42Å; R374-R377 PolarHBondContact O-NH1 3.25Å; R374-V422 HydrophobicContact CB-CG1 3.94Å; R374-E423 WeakPolarHBondContact CD-OE1 3.4Å; R374-E423 WeakPolarHBondContact CG-OE1 3.27Å; R374-L426 HydrophobicContact CB-CD1 4.06Å; R374-L426 HydrophobicContact CG-CD1 4.22Å
375	D	86.6	Confident	91.3	Very high	95 Å²	95	52.5 Å²	52.5	51%	0.508	27%	0.27	S	S	.	.	H	α-helix	trans	-84.9	-24.9	-169.3	-65.4	-18.8	0	0	0	112.3	E371 I372	E371-D375 PolarHBondContact O-N 3.49Å; I372-D375 PolarHBondContact O-N 3Å
376	F	85	Confident	91.4	Very high	82 Å²	82	51.8 Å²	51.8	36%	0.36	27%	0.268	S	S	.	.			trans	-71.6	143.4	-180	-157.9	-93.5	0	0	0	112.5	I372 L380	I372-F376 VanDerWaalsContact O-CB 3.29Å; I372-F376 WeakPolarHBondContact O-CB 3.39Å; I372-F376 PolarHBondContact O-N 2.87Å; F376-L380 HydrophobicContact CB-CD1 3.51Å; F376-L380 HydrophobicContact CB-CG 4.27Å; F376-L380 HydrophobicContact CD1-CD1 3.68Å; F376-L380 HydrophobicContact CD1-CD2 4.16Å; F376-L380 HydrophobicContact CD1-CG 3.45Å; F376-L380 VanDerWaalsContact CD1-CG 3.45Å; F376-L380 HydrophobicContact CD2-CD1 3.97Å; F376-L380 HydrophobicContact CD2-CD2 3.9Å; F376-L380 HydrophobicContact CD2-CG 3.99Å; F376-L380 HydrophobicContact CE1-CD1 4.35Å; F376-L380 HydrophobicContact CE1-CD2 4.03Å; F376-L380 HydrophobicContact CE1-CG 3.63Å; F376-L380 HydrophobicContact CE2-CD2 3.76Å; F376-L380 HydrophobicContact CE2-CG 4.15Å; F376-L380 HydrophobicContact CG-CD1 3.44Å; F376-L380 VanDerWaalsContact CG-CD1 3.44Å; F376-L380 HydrophobicContact CG-CD2 4.09Å; F376-L380 HydrophobicContact CG-CG 3.64Å; F376-L380 HydrophobicContact CZ-CD2 3.82Å; F376-L380 HydrophobicContact CZ-CG 3.97Å
377	R	78.6	Confident	91.5	Very high	204 Å²	204	58 Å²	58	77%	0.77	30%	0.297	S	S	*	.			trans	-122.8	106.3	174.4	-64.7	-69.4	-178.1	-96.3	0	107.8	R374	R374-R377 PolarHBondContact O-NH1 3.25Å
378	G	80.3	Confident	91.6	Very high	69 Å²	69	61.2 Å²	61.2	71%	0.711	31%	0.314	S	S	*	.	S	Bend	trans	130.7	-165.1	-178.9	0	0	0	0	0	113
379	T	83.1	Confident	91.7	Very high	138 Å²	138	60.5 Å²	60.5	85%	0.847	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-85.7	122	176.7	32	0	0	0	0	111.3
380	L	90.8	Very high	91.9	Very high	25 Å²	25	60.7 Å²	60.7	13%	0.131	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-103.4	135.3	168.3	-84.1	164.8	0	0	0	110.2	I372 L373 F376 D384 L385 M388 I415	I372-L380 HydrophobicContact CG2-CD1 3.89Å; L373-L380 HydrophobicContact CD2-CD1 3.98Å; F376-L380 HydrophobicContact CB-CD1 3.51Å; F376-L380 HydrophobicContact CB-CG 4.27Å; F376-L380 HydrophobicContact CD1-CD1 3.68Å; F376-L380 HydrophobicContact CD1-CD2 4.16Å; F376-L380 HydrophobicContact CD1-CG 3.45Å; F376-L380 VanDerWaalsContact CD1-CG 3.45Å; F376-L380 HydrophobicContact CD2-CD1 3.97Å; F376-L380 HydrophobicContact CD2-CD2 3.9Å; F376-L380 HydrophobicContact CD2-CG 3.99Å; F376-L380 HydrophobicContact CE1-CD1 4.35Å; F376-L380 HydrophobicContact CE1-CD2 4.03Å; F376-L380 HydrophobicContact CE1-CG 3.63Å; F376-L380 HydrophobicContact CE2-CD2 3.76Å; F376-L380 HydrophobicContact CE2-CG 4.15Å; F376-L380 HydrophobicContact CG-CD1 3.44Å; F376-L380 VanDerWaalsContact CG-CD1 3.44Å; F376-L380 HydrophobicContact CG-CD2 4.09Å; F376-L380 HydrophobicContact CG-CG 3.64Å; F376-L380 HydrophobicContact CZ-CD2 3.82Å; F376-L380 HydrophobicContact CZ-CG 3.97Å; L380-D384 HydrophobicContact CD2-CB 3.88Å; L380-L385 HydrophobicContact CD1-CD2 4.21Å; L380-M388 HydrophobicContact CD2-SD 4.25Å; L380-I415 HydrophobicContact CB-CD1 4.32Å; L380-I415 WeakPolarHBondContact O-CD1 3.34Å
381	S	93.5	Very high	92.1	Very high	48 Å²	48	60.7 Å²	60.7	34%	0.336	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-95	162.4	167.6	76.8	0	0	0	0	111.7	K383 D384 L385	S381-K383 PolarHBondContact O-N 2.82Å; S381-K383 PolarHBondContact OG-N 3.45Å; S381-D384 VanDerWaalsContact CB-OD2 3.27Å; S381-D384 WeakPolarHBondContact CB-OD2 3.33Å; S381-D384 PolarHBondContact N-OD2 2.82Å; S381-D384 PolarHBondContact O-N 3.05Å; S381-D384 PolarHBondContact OG-N 3.22Å; S381-D384 VanDerWaalsContact OG-N 3.11Å; S381-D384 PolarHBondContact OG-OD1 2.96Å; S381-D384 PolarHBondContact OG-OD2 3.11Å; S381-L385 PolarHBondContact O-N 2.94Å; S381-L385 VanDerWaalsContact O-N 3.17Å
382	I	95.3	Very high	92.4	Very high	13 Å²	13	59.6 Å²	59.6	7%	0.067	31%	0.308	C	S	.	.	H	α-helix	trans	-58.7	-33.6	171.5	-60.2	-66.1	0	0	0	111	S386 Q393 I396 I397 L400 H413 I415	I382-S386 WeakPolarHBondContact O-CB 3.49Å; I382-S386 PolarHBondContact O-N 3.29Å; I382-S386 VanDerWaalsContact O-N 3.08Å; I382-Q393 HydrophobicContact CG2-CB 3.81Å; I382-Q393 HydrophobicContact CG2-CG 3.96Å; I382-I396 HydrophobicContact CD1-CG2 3.83Å; I382-I396 HydrophobicContact CG2-CB 4.45Å; I382-I396 HydrophobicContact CG2-CG2 4.16Å; I382-I397 HydrophobicContact CD1-CG1 4.25Å; I382-I397 HydrophobicContact CG1-CG1 4.42Å; I382-I397 HydrophobicContact CG2-CD1 4.32Å; I382-I397 HydrophobicContact CG2-CG1 4.07Å; I382-L400 HydrophobicContact CD1-CD1 3.68Å; I382-H413 HydrophobicContact CG1-CB 4.5Å; I382-I415 HydrophobicContact CD1-CD1 3.98Å; I382-I415 HydrophobicContact CD1-CG1 3.69Å; I382-I415 HydrophobicContact CG1-CG1 4.3Å
383	K	95.6	Very high	92.6	Very high	120 Å²	120	62.7 Å²	62.7	52%	0.522	32%	0.322	S	S	.	.	H	α-helix	trans	-67.2	-42.3	177.6	-172.1	-179.5	177.5	-174.8	0	111.4	S381 S386 Q387	S381-K383 PolarHBondContact O-N 2.82Å; S381-K383 PolarHBondContact OG-N 3.45Å; K383-S386 WeakPolarHBondContact O-CB 3.4Å; K383-S386 PolarHBondContact O-N 2.75Å; K383-Q387 WeakPolarHBondContact O-CG 3.36Å; K383-Q387 PolarHBondContact O-N 3.34Å
384	D	95.1	Very high	92.8	Very high	58 Å²	58	67.5 Å²	67.5	31%	0.31	35%	0.348	S	S	.	.	H	α-helix	trans	-62.8	-46.8	178.4	-54.2	-37.7	0	0	0	110.4	L380 S381 S386 Q387 M388	L380-D384 HydrophobicContact CD2-CB 3.88Å; S381-D384 VanDerWaalsContact CB-OD2 3.27Å; S381-D384 WeakPolarHBondContact CB-OD2 3.33Å; S381-D384 PolarHBondContact N-OD2 2.82Å; S381-D384 PolarHBondContact O-N 3.05Å; S381-D384 PolarHBondContact OG-N 3.22Å; S381-D384 VanDerWaalsContact OG-N 3.11Å; S381-D384 PolarHBondContact OG-OD1 2.96Å; S381-D384 PolarHBondContact OG-OD2 3.11Å; D384-S386 VanDerWaalsContact C-N 3.29Å; D384-S386 PolarHBondContact O-N 3.49Å; D384-Q387 PolarHBondContact O-N 3.33Å; D384-M388 VanDerWaalsContact O-CG 3.27Å; D384-M388 WeakPolarHBondContact O-CG 3.21Å; D384-M388 PolarHBondContact O-N 2.97Å
385	L	96.7	Very high	93.1	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-57	-42.6	174.9	-70.5	177.9	0	0	0	112.1	L369 I372 L380 S381 M388 T389 I396 L400 I415	L369-L385 HydrophobicContact CD2-CB 4.4Å; L369-L385 HydrophobicContact CD2-CD1 4.11Å; L369-L385 HydrophobicContact CD2-CD2 4.23Å; L369-L385 HydrophobicContact CD2-CG 4.5Å; I372-L385 HydrophobicContact CB-CD2 4.29Å; I372-L385 HydrophobicContact CD1-CD2 4.38Å; I372-L385 HydrophobicContact CG2-CD2 3.66Å; L380-L385 HydrophobicContact CD1-CD2 4.21Å; S381-L385 PolarHBondContact O-N 2.94Å; S381-L385 VanDerWaalsContact O-N 3.17Å; L385-M388 PolarHBondContact O-N 3.22Å; L385-T389 WeakPolarHBondContact O-CB 3.29Å; L385-T389 VanDerWaalsContact O-CG2 3.32Å; L385-T389 WeakPolarHBondContact O-CG2 3.19Å; L385-T389 PolarHBondContact O-N 2.97Å; L385-T389 PolarHBondContact O-OG1 3.43Å; L385-I396 HydrophobicContact CB-CD1 3.83Å; L385-I396 HydrophobicContact CB-CG2 4.38Å; L385-I396 HydrophobicContact CD1-CG2 3.87Å; L385-L400 HydrophobicContact CD1-CD1 4.26Å; L385-I415 HydrophobicContact CD1-CD1 3.43Å; L385-I415 VanDerWaalsContact CD1-CD1 3.43Å; L385-I415 HydrophobicContact CG-CD1 4.26Å
386	S	98	Very high	93.6	Very high	7 Å²	7	59.4 Å²	59.4	5%	0.049	31%	0.311	C	S	.	.	H	α-helix	trans	-64.1	-42.2	178.7	-166.2	0	0	0	0	111.6	V346 I382 K383 D384 S390 I391 I396	V346-S386 WeakPolarHBondContact CG1-OG 3.47Å; I382-S386 WeakPolarHBondContact O-CB 3.49Å; I382-S386 PolarHBondContact O-N 3.29Å; I382-S386 VanDerWaalsContact O-N 3.08Å; K383-S386 WeakPolarHBondContact O-CB 3.4Å; K383-S386 PolarHBondContact O-N 2.75Å; D384-S386 VanDerWaalsContact C-N 3.29Å; D384-S386 PolarHBondContact O-N 3.49Å; S386-S390 VanDerWaalsContact O-CA 3.27Å; S386-S390 WeakPolarHBondContact O-CA 3.28Å; S386-S390 PolarHBondContact O-N 3.16Å; S386-I391 WeakPolarHBondContact CA-O 3.42Å; S386-I391 WeakPolarHBondContact CB-O 3.03Å; S386-I391 PolarHBondContact OG-O 2.98Å; S386-I396 VanDerWaalsContact CA-CD1 3.49Å
387	Q	96.6	Very high	94.1	Very high	131 Å²	131	56.6 Å²	56.6	61%	0.612	30%	0.299	S	S	*	.	H	α-helix	trans	-67.6	-39.7	177.6	-71.8	178.9	-16.4	0	0	112.6	K383 D384	K383-Q387 WeakPolarHBondContact O-CG 3.36Å; K383-Q387 PolarHBondContact O-N 3.34Å; D384-Q387 PolarHBondContact O-N 3.33Å
388	M	95.9	Very high	95	Very high	92 Å²	92	49.3 Å²	49.3	45%	0.453	28%	0.28	S	S	.	.	H	α-helix	trans	-70.5	-31.5	179	-68.7	173	69.4	0	0	113.1	K341 I372 L380 D384 L385	K341-M388 WeakPolarHBondContact CE-O 3.38Å; I372-M388 HydrophobicContact CD1-CE 4.43Å; I372-M388 HydrophobicContact CG1-CE 4.45Å; I372-M388 HydrophobicContact CG2-CE 3.87Å; I372-M388 HydrophobicContact CG2-SD 4.36Å; L380-M388 HydrophobicContact CD2-SD 4.25Å; D384-M388 VanDerWaalsContact O-CG 3.27Å; D384-M388 WeakPolarHBondContact O-CG 3.21Å; D384-M388 PolarHBondContact O-N 2.97Å; L385-M388 PolarHBondContact O-N 3.22Å
389	T	97.7	Very high	95.7	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.018	25%	0.247	C	C	.	.	H	α-helix	trans	-110.7	-15	-168.9	63.1	0	0	0	0	114.4	V368 I372 L385 I391	V368-T389 HydrophobicContact CG1-CG2 3.64Å; I372-T389 HydrophobicContact CD1-CG2 3.31Å; L385-T389 WeakPolarHBondContact O-CB 3.29Å; L385-T389 VanDerWaalsContact O-CG2 3.32Å; L385-T389 WeakPolarHBondContact O-CG2 3.19Å; L385-T389 PolarHBondContact O-N 2.97Å; L385-T389 PolarHBondContact O-OG1 3.43Å; T389-I391 HydrophobicContact CG2-CD1 4.32Å; T389-I391 PolarHBondContact O-N 3.42Å; T389-I391 WeakPolarHBondContact OG1-CB 3.38Å; T389-I391 WeakPolarHBondContact OG1-CG1 3.1Å; T389-I391 PolarHBondContact OG1-N 2.93Å
390	S	98.5	Very high	96.3	Very high	5 Å²	5	39.6 Å²	39.6	4%	0.035	21%	0.207	C	C	.	.			trans	59.3	11.4	-165.5	-69.7	0	0	0	0	114.7	Y337 K341 T345 V346 G347 S386	Y337-S390 WeakPolarHBondContact CE1-O 3.44Å; K341-S390 WeakPolarHBondContact CA-OG 3.19Å; K341-S390 WeakPolarHBondContact CG-OG 3.36Å; K341-S390 PolarHBondContact N-OG 3.33Å; T345-S390 WeakPolarHBondContact O-CB 3.34Å; T345-S390 PolarHBondContact O-OG 3.42Å; V346-S390 CarbonylContact C-O 3.57Å; V346-S390 VanDerWaalsContact CA-O 3.24Å; V346-S390 WeakPolarHBondContact CA-O 3.24Å; G347-S390 PolarHBondContact N-O 2.94Å; S386-S390 VanDerWaalsContact O-CA 3.27Å; S386-S390 WeakPolarHBondContact O-CA 3.28Å; S386-S390 PolarHBondContact O-N 3.16Å
391	I	98.6	Very high	96.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-78.1	138.5	173.6	-58	165.8	0	0	0	108.8	Y337 W365 V368 S386 T389 D395 I396	Y337-I391 HydrophobicContact CD1-CG1 4.06Å; Y337-I391 HydrophobicContact CE1-CB 4.22Å; Y337-I391 HydrophobicContact CE1-CG1 3.64Å; Y337-I391 HydrophobicContact CE2-CG1 4.38Å; W365-I391 HydrophobicContact CG-CD1 4.36Å; V368-I391 HydrophobicContact CG1-CD1 4.44Å; S386-I391 WeakPolarHBondContact CA-O 3.42Å; S386-I391 WeakPolarHBondContact CB-O 3.03Å; S386-I391 PolarHBondContact OG-O 2.98Å; T389-I391 HydrophobicContact CG2-CD1 4.32Å; T389-I391 PolarHBondContact O-N 3.42Å; T389-I391 WeakPolarHBondContact OG1-CB 3.38Å; T389-I391 WeakPolarHBondContact OG1-CG1 3.1Å; T389-I391 PolarHBondContact OG1-N 2.93Å; I391-D395 HydrophobicContact CG2-CB 3.6Å; I391-I396 HydrophobicContact CB-CD1 4.22Å; I391-I396 HydrophobicContact CB-CG1 4.03Å; I391-I396 HydrophobicContact CG2-CD1 4.43Å; I391-I396 HydrophobicContact CG2-CG1 3.77Å
392	T	98.1	Very high	96.3	Very high	27 Å²	27	43.7 Å²	43.7	17%	0.166	23%	0.226	C	C	.	.			trans	-62.1	149.7	177	77.2	0	0	0	0	111.4	G347 N394 D395 I396	G347-T392 WeakPolarHBondContact O-CG2 3.46Å; T392-N394 PolarHBondContact O-N 2.96Å; T392-D395 PolarHBondContact O-N 3.3Å; T392-D395 VanDerWaalsContact O-N 3.16Å; T392-D395 PolarHBondContact OG1-N 2.7Å; T392-D395 PolarHBondContact OG1-OD2 3.15Å; T392-I396 WeakPolarHBondContact O-CG1 3.35Å; T392-I396 PolarHBondContact O-N 2.87Å
393	Q	97.3	Very high	96.1	Very high	94 Å²	94	43.2 Å²	43.2	44%	0.439	22%	0.224	S	C	.	.	H	α-helix	trans	-58.6	-34.4	177.2	-62.5	-173.3	35.6	0	0	112.1	I382 I396 I397	I382-Q393 HydrophobicContact CG2-CB 3.81Å; I382-Q393 HydrophobicContact CG2-CG 3.96Å; Q393-I396 PolarHBondContact O-N 3.11Å; Q393-I397 WeakPolarHBondContact O-CB 3.17Å; Q393-I397 WeakPolarHBondContact O-CD1 3.19Å; Q393-I397 WeakPolarHBondContact O-CG1 3.23Å; Q393-I397 PolarHBondContact O-N 2.67Å
394	N	96.2	Very high	95.9	Very high	124 Å²	124	43.7 Å²	43.7	66%	0.663	23%	0.232	S	C	*	.	H	α-helix	trans	-65	-42.7	177.7	-69.9	-19.9	0	0	0	112	T392 I397 S398	T392-N394 PolarHBondContact O-N 2.96Å; N394-I397 PolarHBondContact O-N 3.35Å; N394-S398 WeakPolarHBondContact O-CB 3.15Å; N394-S398 PolarHBondContact O-N 3.17Å; N394-S398 PolarHBondContact O-OG 3.11Å
395	D	97.4	Very high	95.7	Very high	7 Å²	7	41 Å²	41	4%	0.037	22%	0.218	C	C	.	.	H	α-helix	trans	-69.2	-36.1	177.7	-62	-35.5	0	0	0	111	S348 W365 I391 T392 S398 T399	S348-D395 WeakPolarHBondContact CB-OD2 3.47Å; S348-D395 PolarHBondContact OG-OD2 2.56Å; W365-D395 HydrophobicContact CD2-CB 4.35Å; W365-D395 HydrophobicContact CE3-CB 4.29Å; W365-D395 HydrophobicContact CH2-CB 3.87Å; W365-D395 HydrophobicContact CZ2-CB 3.92Å; W365-D395 HydrophobicContact CZ3-CB 4.06Å; I391-D395 HydrophobicContact CG2-CB 3.6Å; T392-D395 PolarHBondContact O-N 3.3Å; T392-D395 VanDerWaalsContact O-N 3.16Å; T392-D395 PolarHBondContact OG1-N 2.7Å; T392-D395 PolarHBondContact OG1-OD2 3.15Å; D395-S398 WeakPolarHBondContact CA-OG 3.39Å; D395-S398 PolarHBondContact O-OG 3.2Å; D395-S398 VanDerWaalsContact O-OG 3.05Å; D395-T399 VanDerWaalsContact O-CB 3.24Å; D395-T399 WeakPolarHBondContact O-CB 3.26Å; D395-T399 PolarHBondContact O-N 3.23Å; D395-T399 PolarHBondContact O-OG1 3.32Å
396	I	97.8	Very high	95.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.2	-50.2	172.5	-66.8	166.1	0	0	0	110.8	L369 I382 L385 S386 I391 T392 Q393 T399 L400	L369-I396 HydrophobicContact CD1-CB 4.49Å; L369-I396 HydrophobicContact CD1-CG1 4.47Å; L369-I396 HydrophobicContact CD1-CG2 4.14Å; L369-I396 HydrophobicContact CD2-CG1 4.3Å; L369-I396 HydrophobicContact CD2-CG2 4.48Å; I382-I396 HydrophobicContact CD1-CG2 3.83Å; I382-I396 HydrophobicContact CG2-CB 4.45Å; I382-I396 HydrophobicContact CG2-CG2 4.16Å; L385-I396 HydrophobicContact CB-CD1 3.83Å; L385-I396 HydrophobicContact CB-CG2 4.38Å; L385-I396 HydrophobicContact CD1-CG2 3.87Å; S386-I396 VanDerWaalsContact CA-CD1 3.49Å; I391-I396 HydrophobicContact CB-CD1 4.22Å; I391-I396 HydrophobicContact CB-CG1 4.03Å; I391-I396 HydrophobicContact CG2-CD1 4.43Å; I391-I396 HydrophobicContact CG2-CG1 3.77Å; T392-I396 WeakPolarHBondContact O-CG1 3.35Å; T392-I396 PolarHBondContact O-N 2.87Å; Q393-I396 PolarHBondContact O-N 3.11Å; I396-T399 PolarHBondContact O-N 3.38Å; I396-L400 HydrophobicContact CG2-CD1 3.8Å; I396-L400 HydrophobicContact CG2-CG 4.28Å; I396-L400 WeakPolarHBondContact O-CB 3.42Å; I396-L400 WeakPolarHBondContact O-CG 3.5Å; I396-L400 PolarHBondContact O-N 3.38Å
397	I	96.2	Very high	95.1	Very high	23 Å²	23	48 Å²	48	12%	0.118	25%	0.249	C	C	.	.	H	α-helix	trans	-59.9	-50.8	-179.2	-71.4	162.1	0	0	0	110.1	I382 Q393 N394 T399 L400 Q401 H413	I382-I397 HydrophobicContact CD1-CG1 4.25Å; I382-I397 HydrophobicContact CG1-CG1 4.42Å; I382-I397 HydrophobicContact CG2-CD1 4.32Å; I382-I397 HydrophobicContact CG2-CG1 4.07Å; Q393-I397 WeakPolarHBondContact O-CB 3.17Å; Q393-I397 WeakPolarHBondContact O-CD1 3.19Å; Q393-I397 WeakPolarHBondContact O-CG1 3.23Å; Q393-I397 PolarHBondContact O-N 2.67Å; N394-I397 PolarHBondContact O-N 3.35Å; I397-T399 VanDerWaalsContact C-N 3.31Å; I397-T399 PolarHBondContact O-N 3.36Å; I397-L400 PolarHBondContact O-N 2.97Å; I397-Q401 HydrophobicContact CG2-CG 4.24Å; I397-Q401 WeakPolarHBondContact O-CB 3.34Å; I397-Q401 WeakPolarHBondContact O-CG 3.42Å; I397-Q401 PolarHBondContact O-N 3.4Å; I397-H413 HydrophobicContact CD1-CB 4.29Å; I397-H413 HydrophobicContact CG1-CB 4.21Å
398	S	95.6	Very high	94.8	Very high	52 Å²	52	49 Å²	49	36%	0.364	25%	0.248	S	C	.	.	H	α-helix	trans	-62.2	-38.9	179.9	59.6	0	0	0	0	112.2	N394 D395 Q401 S402	N394-S398 WeakPolarHBondContact O-CB 3.15Å; N394-S398 PolarHBondContact O-N 3.17Å; N394-S398 PolarHBondContact O-OG 3.11Å; D395-S398 WeakPolarHBondContact CA-OG 3.39Å; D395-S398 PolarHBondContact O-OG 3.2Å; D395-S398 VanDerWaalsContact O-OG 3.05Å; S398-Q401 PolarHBondContact O-N 3.33Å; S398-S402 PolarHBondContact O-N 2.98Å
399	T	95.8	Very high	94.4	Very high	3 Å²	3	53 Å²	53	2%	0.018	26%	0.258	C	S	.	.	H	α-helix	trans	-63.9	-50.7	175	-59	0	0	0	0	111.2	W365 L369 D395 I396 I397 Q401 S402 L403	W365-T399 HydrophobicContact CB-CG2 3.98Å; L369-T399 HydrophobicContact CD1-CG2 3.85Å; D395-T399 VanDerWaalsContact O-CB 3.24Å; D395-T399 WeakPolarHBondContact O-CB 3.26Å; D395-T399 PolarHBondContact O-N 3.23Å; D395-T399 PolarHBondContact O-OG1 3.32Å; I396-T399 PolarHBondContact O-N 3.38Å; I397-T399 VanDerWaalsContact C-N 3.31Å; I397-T399 PolarHBondContact O-N 3.36Å; T399-Q401 VanDerWaalsContact C-N 3.29Å; T399-Q401 PolarHBondContact O-N 3.3Å; T399-S402 PolarHBondContact O-N 3.08Å; T399-S402 VanDerWaalsContact O-N 3.11Å; T399-S402 PolarHBondContact O-OG 2.85Å; T399-L403 HydrophobicContact CG2-CD1 4.26Å; T399-L403 WeakPolarHBondContact O-CG 3.41Å; T399-L403 PolarHBondContact O-N 3.42Å; T399-L403 VanDerWaalsContact O-N 3.15Å
400	L	94.8	Very high	94	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.4	-32.2	179.2	-66.4	177.1	0	0	0	112.5	L369 L373 I382 L385 I396 I397 S402 L403 N404 M405 V406 I415	L369-L400 HydrophobicContact CD1-CD2 4.09Å; L369-L400 HydrophobicContact CD1-CG 4.12Å; L373-L400 HydrophobicContact CD1-CD2 4.09Å; I382-L400 HydrophobicContact CD1-CD1 3.68Å; L385-L400 HydrophobicContact CD1-CD1 4.26Å; I396-L400 HydrophobicContact CG2-CD1 3.8Å; I396-L400 HydrophobicContact CG2-CG 4.28Å; I396-L400 WeakPolarHBondContact O-CB 3.42Å; I396-L400 WeakPolarHBondContact O-CG 3.5Å; I396-L400 PolarHBondContact O-N 3.38Å; I397-L400 PolarHBondContact O-N 2.97Å; L400-S402 VanDerWaalsContact C-N 3.35Å; L400-L403 CarbonylContact O-C 3.54Å; L400-L403 PolarHBondContact O-N 3.46Å; L400-N404 PolarHBondContact O-N 3.26Å; L400-N404 VanDerWaalsContact O-N 3.09Å; L400-M405 HydrophobicContact CB-CB 4.41Å; L400-M405 HydrophobicContact CD2-CB 4.04Å; L400-M405 PolarHBondContact O-N 3.06Å; L400-V406 HydrophobicContact CB-CB 3.89Å; L400-V406 HydrophobicContact CB-CG1 3.87Å; L400-I415 HydrophobicContact CD1-CD1 4.18Å; L400-I415 HydrophobicContact CD1-CG1 4.04Å
401	Q	93.8	Very high	93.3	Very high	96 Å²	96	63.7 Å²	63.7	45%	0.449	32%	0.317	S	S	.	.	H	α-helix	trans	-61.6	-44.5	171.6	-77.3	171.4	-19.2	0	0	110.6	I397 S398 T399 L403 N404 V406 H413	I397-Q401 HydrophobicContact CG2-CG 4.24Å; I397-Q401 WeakPolarHBondContact O-CB 3.34Å; I397-Q401 WeakPolarHBondContact O-CG 3.42Å; I397-Q401 PolarHBondContact O-N 3.4Å; S398-Q401 PolarHBondContact O-N 3.33Å; T399-Q401 VanDerWaalsContact C-N 3.29Å; T399-Q401 PolarHBondContact O-N 3.3Å; Q401-L403 PolarHBondContact O-N 2.93Å; Q401-N404 PolarHBondContact O-N 2.84Å; Q401-N404 VanDerWaalsContact O-N 3.08Å; Q401-V406 HydrophobicContact CB-CG1 4.16Å; Q401-V406 HydrophobicContact CG-CG1 3.43Å; Q401-V406 VanDerWaalsContact CG-CG1 3.43Å; Q401-H413 PolarHBondContact NE2-NE2 3.05Å
402	S	91.6	Very high	92.7	Very high	62 Å²	62	70.3 Å²	70.3	43%	0.434	35%	0.348	S	S	.	.	H	α-helix	trans	-65.1	-25.7	177.7	79.1	0	0	0	0	113.6	S398 T399 L400	S398-S402 PolarHBondContact O-N 2.98Å; T399-S402 PolarHBondContact O-N 3.08Å; T399-S402 VanDerWaalsContact O-N 3.11Å; T399-S402 PolarHBondContact O-OG 2.85Å; L400-S402 VanDerWaalsContact C-N 3.35Å
403	L	90.8	Very high	92.3	Very high	3 Å²	3	72.1 Å²	72.1	2%	0.016	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	0.3	175.9	-59.7	174.2	0	0	0	113.2	L370 T399 L400 Q401 M405 Y431	L370-L403 HydrophobicContact CD2-CD1 4.38Å; L370-L403 HydrophobicContact CG-CD1 4.32Å; T399-L403 HydrophobicContact CG2-CD1 4.26Å; T399-L403 WeakPolarHBondContact O-CG 3.41Å; T399-L403 PolarHBondContact O-N 3.42Å; T399-L403 VanDerWaalsContact O-N 3.15Å; L400-L403 CarbonylContact O-C 3.54Å; L400-L403 PolarHBondContact O-N 3.46Å; Q401-L403 PolarHBondContact O-N 2.93Å; L403-M405 VanDerWaalsContact C-N 3.27Å; L403-M405 HydrophobicContact CB-CB 4.45Å; L403-M405 HydrophobicContact CB-CG 4Å; L403-M405 HydrophobicContact CB-SD 3.97Å; L403-M405 HydrophobicContact CD1-SD 4.24Å; L403-M405 PolarHBondContact O-N 2.96Å; L403-Y431 HydrophobicContact CD2-CE2 4.36Å
404	N	91.3	Very high	92	Very high	131 Å²	131	70.9 Å²	70.9	70%	0.701	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	36.3	-172.8	-57.7	-63	0	0	0	114	L400 Q401	L400-N404 PolarHBondContact O-N 3.26Å; L400-N404 VanDerWaalsContact O-N 3.09Å; Q401-N404 PolarHBondContact O-N 2.84Å; Q401-N404 VanDerWaalsContact O-N 3.08Å
405	M	92.3	Very high	91.7	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.329	C	S	.	.			trans	-109.4	9.5	-175.5	-69.6	-179.9	174.7	0	0	114.3	L370 L373 L400 L403 C416 V417 L421 V422 H425	L370-M405 HydrophobicContact CD2-CE 3.65Å; L370-M405 HydrophobicContact CD2-SD 3.89Å; L373-M405 HydrophobicContact CD1-SD 4.27Å; L400-M405 HydrophobicContact CB-CB 4.41Å; L400-M405 HydrophobicContact CD2-CB 4.04Å; L400-M405 PolarHBondContact O-N 3.06Å; L403-M405 VanDerWaalsContact C-N 3.27Å; L403-M405 HydrophobicContact CB-CB 4.45Å; L403-M405 HydrophobicContact CB-CG 4Å; L403-M405 HydrophobicContact CB-SD 3.97Å; L403-M405 HydrophobicContact CD1-SD 4.24Å; L403-M405 PolarHBondContact O-N 2.96Å; M405-C416 PolarHBondContact O-N 3.31Å; M405-V417 HydrophobicContact CB-CB 4.37Å; M405-V417 HydrophobicContact CB-CG2 4.43Å; M405-V417 HydrophobicContact CE-CG2 3.89Å; M405-V417 HydrophobicContact CG-CB 4.29Å; M405-V417 HydrophobicContact CG-CG2 3.84Å; M405-V417 HydrophobicContact SD-CG2 3.79Å; M405-L421 HydrophobicContact CE-CD2 4.09Å; M405-L421 HydrophobicContact CE-CG 3.79Å; M405-L421 HydrophobicContact CG-CD2 4.16Å; M405-V422 HydrophobicContact CE-CG2 4.49Å; M405-H425 HydrophobicContact CE-CB 4.46Å; M405-H425 VanDerWaalsContact CE-ND1 3.27Å; M405-H425 WeakPolarHBondContact CE-ND1 3.21Å
406	V	92.9	Very high	91.2	Very high	20 Å²	20	68.7 Å²	68.7	12%	0.121	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	141.4	179.6	67	0	0	0	0	110.6	L400 Q401 H413 V414	L400-V406 HydrophobicContact CB-CB 3.89Å; L400-V406 HydrophobicContact CB-CG1 3.87Å; Q401-V406 HydrophobicContact CB-CG1 4.16Å; Q401-V406 HydrophobicContact CG-CG1 3.43Å; Q401-V406 VanDerWaalsContact CG-CG1 3.43Å; V406-H413 HydrophobicContact CG2-CB 3.82Å; V406-V414 WeakPolarHBondContact CA-O 3.41Å; V406-V414 WeakPolarHBondContact CG2-O 3.34Å
407	K	89.3	Confident	90.7	Very high	135 Å²	135	70.9 Å²	70.9	59%	0.587	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	153.9	175.3	-67.4	-178	-179.1	174.2	0	110	H413 V414 C416	K407-H413 WeakPolarHBondContact O-CA 3.48Å; K407-V414 PolarHBondContact N-O 2.83Å; K407-V414 PolarHBondContact O-N 3.5Å; K407-C416 HydrophobicContact CD-CB 4Å; K407-C416 HydrophobicContact CG-CB 4.03Å
408	Y	89.8	Confident	90.3	Very high	152 Å²	152	73.6 Å²	73.6	60%	0.596	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	122.1	173	-165.1	-104.4	0	0	0	109.7	G411 Q412 H413	Y408-G411 VanDerWaalsContact CZ-CA 3.48Å; Y408-G411 WeakPolarHBondContact OH-CA 3.36Å; Y408-G411 PolarHBondContact OH-O 3.34Å; Y408-Q412 WeakPolarHBondContact CA-O 3.27Å; Y408-H413 AromaticContact CD2-CD2 3.99Å; Y408-H413 AromaticContact CD2-CE1 3.73Å; Y408-H413 AromaticContact CD2-ND1 3.99Å; Y408-H413 AromaticContact CD2-NE2 3.72Å; Y408-H413 AromaticContact CE2-CE1 3.88Å
409	W	87.6	Confident	89.9	Confident	175 Å²	175	76.2 Å²	76.2	66%	0.663	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.7	126.2	-177.9	-175	-105.8	0	0	0	110.5	G411 Q412 V414	W409-G411 PolarHBondContact O-N 2.91Å; W409-G411 VanDerWaalsContact O-N 3.13Å; W409-Q412 PolarHBondContact N-O 3.45Å; W409-Q412 PolarHBondContact O-N 2.97Å; W409-V414 HydrophobicContact CB-CG2 4.22Å
410	K	87.8	Confident	89.6	Confident	186 Å²	186	83.1 Å²	83.1	81%	0.809	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	42.3	178.5	-64.9	-174.8	176.4	-173.7	0	114.4
411	G	85.1	Confident	89.3	Confident	47 Å²	47	85.4 Å²	85.4	49%	0.485	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	86	2.2	178.8	0	0	0	0	0	115.2	Y408 W409	Y408-G411 VanDerWaalsContact CZ-CA 3.48Å; Y408-G411 WeakPolarHBondContact OH-CA 3.36Å; Y408-G411 PolarHBondContact OH-O 3.34Å; W409-G411 PolarHBondContact O-N 2.91Å; W409-G411 VanDerWaalsContact O-N 3.13Å
412	Q	86.6	Confident	89	Confident	139 Å²	139	80.9 Å²	80.9	65%	0.65	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	148.1	-176	-64.6	-171.2	-14.3	0	0	112.4	Y408 W409	Y408-Q412 WeakPolarHBondContact CA-O 3.27Å; W409-Q412 PolarHBondContact N-O 3.45Å; W409-Q412 PolarHBondContact O-N 2.97Å
413	H	89.1	Confident	88.9	Confident	65 Å²	65	81.9 Å²	81.9	30%	0.301	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	120.8	170.7	-71.6	94.8	0	0	0	109.8	I382 I397 Q401 V406 K407 Y408	I382-H413 HydrophobicContact CG1-CB 4.5Å; I397-H413 HydrophobicContact CD1-CB 4.29Å; I397-H413 HydrophobicContact CG1-CB 4.21Å; Q401-H413 PolarHBondContact NE2-NE2 3.05Å; V406-H413 HydrophobicContact CG2-CB 3.82Å; K407-H413 WeakPolarHBondContact O-CA 3.48Å; Y408-H413 AromaticContact CD2-CD2 3.99Å; Y408-H413 AromaticContact CD2-CE1 3.73Å; Y408-H413 AromaticContact CD2-ND1 3.99Å; Y408-H413 AromaticContact CD2-NE2 3.72Å; Y408-H413 AromaticContact CE2-CE1 3.88Å
414	V	90	Very high	88.8	Confident	68 Å²	68	86.6 Å²	86.6	41%	0.412	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.9	-178.6	-175.9	0	0	0	0	109.2	V406 K407 W409 C416	V406-V414 WeakPolarHBondContact CA-O 3.41Å; V406-V414 WeakPolarHBondContact CG2-O 3.34Å; K407-V414 PolarHBondContact N-O 2.83Å; K407-V414 PolarHBondContact O-N 3.5Å; W409-V414 HydrophobicContact CB-CG2 4.22Å; V414-C416 PolarHBondContact O-N 3.16Å
415	I	91.6	Very high	88.6	Confident	28 Å²	28	82.2 Å²	82.2	14%	0.144	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	124	175.9	-52.9	-178	0	0	0	108.1	L373 L380 I382 L385 L400 V417	L373-I415 HydrophobicContact CD2-CG2 4.16Å; L380-I415 HydrophobicContact CB-CD1 4.32Å; L380-I415 WeakPolarHBondContact O-CD1 3.34Å; I382-I415 HydrophobicContact CD1-CD1 3.98Å; I382-I415 HydrophobicContact CD1-CG1 3.69Å; I382-I415 HydrophobicContact CG1-CG1 4.3Å; L385-I415 HydrophobicContact CD1-CD1 3.43Å; L385-I415 VanDerWaalsContact CD1-CD1 3.43Å; L385-I415 HydrophobicContact CG-CD1 4.26Å; L400-I415 HydrophobicContact CD1-CD1 4.18Å; L400-I415 HydrophobicContact CD1-CG1 4.04Å; I415-V417 HydrophobicContact CG2-CG1 3.98Å
416	C	86.2	Confident	88.3	Confident	57 Å²	57	83.5 Å²	83.5	39%	0.385	42%	0.415	S	S	.	.			trans	-132.4	91.8	-177.8	-170.6	0	0	0	0	108	M405 K407 V414	M405-C416 PolarHBondContact O-N 3.31Å; K407-C416 HydrophobicContact CD-CB 4Å; K407-C416 HydrophobicContact CG-CB 4.03Å; V414-C416 PolarHBondContact O-N 3.16Å
417	V	88	Confident	88	Confident	46 Å²	46	90.2 Å²	90.2	28%	0.279	44%	0.442	S	S	.	.			trans	-139.9	144	-173	69.2	0	0	0	0	110.4	L373 M405 I415 L421 V422	L373-V417 HydrophobicContact CD1-CG1 4.4Å; L373-V417 HydrophobicContact CD2-CG1 4.2Å; M405-V417 HydrophobicContact CB-CB 4.37Å; M405-V417 HydrophobicContact CB-CG2 4.43Å; M405-V417 HydrophobicContact CE-CG2 3.89Å; M405-V417 HydrophobicContact CG-CB 4.29Å; M405-V417 HydrophobicContact CG-CG2 3.84Å; M405-V417 HydrophobicContact SD-CG2 3.79Å; I415-V417 HydrophobicContact CG2-CG1 3.98Å; V417-L421 HydrophobicContact CG2-CB 4.43Å; V417-L421 HydrophobicContact CG2-CD2 4.36Å; V417-V422 HydrophobicContact CG2-CG2 3.44Å; V417-V422 VanDerWaalsContact CG2-CG2 3.44Å
418	T	87.1	Confident	87.8	Confident	81 Å²	81	86 Å²	86	50%	0.497	43%	0.43	S	S	.	.			trans	-103.8	149.9	171.3	66.6	0	0	0	0	109.6	K420 L421 V422	T418-K420 PolarHBondContact O-N 2.86Å; T418-L421 PolarHBondContact O-N 3.35Å; T418-L421 WeakPolarHBondContact OG1-CB 3.32Å; T418-L421 PolarHBondContact OG1-N 3.48Å; T418-V422 PolarHBondContact O-N 2.96Å
419	P	86.8	Confident	87	Confident	106 Å²	106	82.6 Å²	82.6	69%	0.688	43%	0.433	S	S	*	.	H	α-helix	trans	-53.8	-37.8	176.3	-28.3	35.5	0	0	0	113.1	L421 V422 E423	P419-L421 PolarHBondContact O-N 3.02Å; P419-V422 PolarHBondContact O-N 3.44Å; P419-E423 WeakPolarHBondContact O-CG 3.46Å; P419-E423 PolarHBondContact O-N 3.32Å; P419-E423 VanDerWaalsContact O-N 3.08Å
420	K	88.9	Confident	86.3	Confident	149 Å²	149	78.2 Å²	78.2	65%	0.648	42%	0.42	S	S	*	.	H	α-helix	trans	-59.7	-44.1	176.6	-174.3	-180	176.5	-174.6	0	112.3	T418 V422 E423 E424	T418-K420 PolarHBondContact O-N 2.86Å; K420-V422 VanDerWaalsContact C-N 3.34Å; K420-V422 PolarHBondContact O-N 3.39Å; K420-E423 PolarHBondContact O-N 3.15Å; K420-E424 WeakPolarHBondContact CE-OE1 3.45Å; K420-E424 WeakPolarHBondContact O-CG 3.47Å; K420-E424 PolarHBondContact O-N 3.15Å
421	L	88.6	Confident	85.8	Confident	47 Å²	47	70.6 Å²	70.6	25%	0.246	39%	0.386	C	S	.	.	H	α-helix	trans	-66.3	-36.3	179.9	-173.8	64	0	0	0	111.9	M405 V417 T418 P419 H425	M405-L421 HydrophobicContact CE-CD2 4.09Å; M405-L421 HydrophobicContact CE-CG 3.79Å; M405-L421 HydrophobicContact CG-CD2 4.16Å; V417-L421 HydrophobicContact CG2-CB 4.43Å; V417-L421 HydrophobicContact CG2-CD2 4.36Å; T418-L421 PolarHBondContact O-N 3.35Å; T418-L421 WeakPolarHBondContact OG1-CB 3.32Å; T418-L421 PolarHBondContact OG1-N 3.48Å; P419-L421 PolarHBondContact O-N 3.02Å; L421-H425 PolarHBondContact O-N 3.19Å; L421-H425 PolarHBondContact O-ND1 3.29Å
422	V	89	Confident	85.3	Confident	2 Å²	2	74.5 Å²	74.5	1%	0.012	39%	0.39	C	S	.	.	H	α-helix	trans	-63	-48.7	174.5	-179.1	0	0	0	0	110.5	L370 L373 R374 M405 V417 T418 P419 K420 E424 H425 L426	L370-V422 HydrophobicContact CB-CG1 4.46Å; L370-V422 HydrophobicContact CD2-CG1 4.08Å; L370-V422 WeakPolarHBondContact O-CG1 3.37Å; L373-V422 HydrophobicContact CB-CG1 4.45Å; L373-V422 HydrophobicContact CB-CG2 4.05Å; R374-V422 HydrophobicContact CB-CG1 3.94Å; M405-V422 HydrophobicContact CE-CG2 4.49Å; V417-V422 HydrophobicContact CG2-CG2 3.44Å; V417-V422 VanDerWaalsContact CG2-CG2 3.44Å; T418-V422 PolarHBondContact O-N 2.96Å; P419-V422 PolarHBondContact O-N 3.44Å; K420-V422 VanDerWaalsContact C-N 3.34Å; K420-V422 PolarHBondContact O-N 3.39Å; V422-E424 VanDerWaalsContact C-N 3.35Å; V422-E424 PolarHBondContact O-N 3.08Å; V422-H425 PolarHBondContact O-N 3.47Å; V422-L426 HydrophobicContact CG1-CD1 3.95Å; V422-L426 HydrophobicContact CG1-CG 4.39Å; V422-L426 WeakPolarHBondContact O-CG 3.37Å; V422-L426 PolarHBondContact O-N 3.23Å
423	E	87.6	Confident	85	Confident	83 Å²	83	74.5 Å²	74.5	39%	0.388	39%	0.388	S	S	.	.	H	α-helix	trans	-62.5	-38.9	178.9	-72.1	-62.1	150.6	0	0	112.7	R374 P419 K420 H425 L426 K427	R374-E423 WeakPolarHBondContact CD-OE1 3.4Å; R374-E423 WeakPolarHBondContact CG-OE1 3.27Å; P419-E423 WeakPolarHBondContact O-CG 3.46Å; P419-E423 PolarHBondContact O-N 3.32Å; P419-E423 VanDerWaalsContact O-N 3.08Å; K420-E423 PolarHBondContact O-N 3.15Å; E423-H425 VanDerWaalsContact C-N 3.33Å; E423-H425 PolarHBondContact O-N 3.19Å; E423-L426 PolarHBondContact O-N 2.93Å; E423-K427 WeakPolarHBondContact O-CG 3.22Å; E423-K427 PolarHBondContact O-N 2.81Å
424	E	88.9	Confident	84.8	Confident	101 Å²	101	71.9 Å²	71.9	47%	0.472	38%	0.377	S	S	.	.	H	α-helix	trans	-60	-42.8	174.1	-77.5	172.8	-177.1	0	0	111.9	K420 V422	K420-E424 WeakPolarHBondContact CE-OE1 3.45Å; K420-E424 WeakPolarHBondContact O-CG 3.47Å; K420-E424 PolarHBondContact O-N 3.15Å; V422-E424 VanDerWaalsContact C-N 3.35Å; V422-E424 PolarHBondContact O-N 3.08Å
425	H	88.2	Confident	84.6	Confident	39 Å²	39	73.9 Å²	73.9	18%	0.181	39%	0.391	C	S	.	.	H	α-helix	trans	-66.9	-45	174.8	-76.1	83.7	0	0	0	111.7	L370 M405 L421 V422 E423 K427 S428 Y431	L370-H425 HydrophobicContact CD1-CB 3.73Å; L370-H425 HydrophobicContact CD2-CB 3.75Å; L370-H425 HydrophobicContact CG-CB 4.43Å; M405-H425 HydrophobicContact CE-CB 4.46Å; M405-H425 VanDerWaalsContact CE-ND1 3.27Å; M405-H425 WeakPolarHBondContact CE-ND1 3.21Å; L421-H425 PolarHBondContact O-N 3.19Å; L421-H425 PolarHBondContact O-ND1 3.29Å; V422-H425 PolarHBondContact O-N 3.47Å; E423-H425 VanDerWaalsContact C-N 3.33Å; E423-H425 PolarHBondContact O-N 3.19Å; H425-K427 PolarHBondContact O-N 3.18Å; H425-S428 WeakPolarHBondContact O-CB 3.39Å; H425-S428 PolarHBondContact O-N 3.36Å; H425-Y431 HydrophobicContact CB-CD2 4.43Å; H425-Y431 WeakPolarHBondContact O-CD2 3.26Å
426	L	86.4	Confident	84.6	Confident	28 Å²	28	74.4 Å²	74.4	15%	0.147	39%	0.394	C	S	.	.	H	α-helix	trans	-63.8	-24.2	-179.1	-74.6	175	0	0	0	113.8	L370 R374 V422 E423 S428	L370-L426 HydrophobicContact CB-CD2 3.66Å; L370-L426 HydrophobicContact CB-CG 4.05Å; L370-L426 HydrophobicContact CD1-CD2 4.28Å; R374-L426 HydrophobicContact CB-CD1 4.06Å; R374-L426 HydrophobicContact CG-CD1 4.22Å; V422-L426 HydrophobicContact CG1-CD1 3.95Å; V422-L426 HydrophobicContact CG1-CG 4.39Å; V422-L426 WeakPolarHBondContact O-CG 3.37Å; V422-L426 PolarHBondContact O-N 3.23Å; E423-L426 PolarHBondContact O-N 2.93Å; L426-S428 VanDerWaalsContact C-N 3.28Å; L426-S428 PolarHBondContact O-N 3.44Å
427	K	86.2	Confident	85	Confident	160 Å²	160	74 Å²	74	70%	0.696	39%	0.39	S	S	*	.	H	α-helix	trans	-69.9	-22.8	171.9	-74.4	172.4	-175.9	179.7	0	113.3	E423 H425	E423-K427 WeakPolarHBondContact O-CG 3.22Å; E423-K427 PolarHBondContact O-N 2.81Å; H425-K427 PolarHBondContact O-N 3.18Å
428	S	84.2	Confident	85.5	Confident	48 Å²	48	73 Å²	73	34%	0.336	38%	0.383	S	S	.	.	S	Bend	trans	-64.8	134.6	177.2	178.7	0	0	0	0	111.2	H425 L426 Q430 Y431	H425-S428 WeakPolarHBondContact O-CB 3.39Å; H425-S428 PolarHBondContact O-N 3.36Å; L426-S428 VanDerWaalsContact C-N 3.28Å; L426-S428 PolarHBondContact O-N 3.44Å; S428-Q430 PolarHBondContact O-N 2.84Å; S428-Q430 PolarHBondContact OG-N 3.09Å; S428-Y431 PolarHBondContact O-N 2.85Å; S428-Y431 VanDerWaalsContact O-N 3.1Å
429	A	73.4	Confident	85.9	Confident	80 Å²	80	71.4 Å²	71.4	66%	0.661	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-55.6	-27.3	178.4	0	0	0	0	0	113.2	Y431	A429-Y431 VanDerWaalsContact C-N 3.33Å; A429-Y431 PolarHBondContact O-N 3.28Å
430	Q	72.9	Confident	86.3	Confident	83 Å²	83	69.9 Å²	69.9	39%	0.388	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-68.1	-29	-179.1	-173.7	-179.8	-3.4	0	0	113.8	S363 S428	S363-Q430 PolarHBondContact OG-O 3.08Å; S428-Q430 PolarHBondContact O-N 2.84Å; S428-Q430 PolarHBondContact OG-N 3.09Å
431	Y	78.2	Confident	86.7	Confident	25 Å²	25	68.8 Å²	68.8	10%	0.098	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-112.7	12.6	-172.8	-49.8	-56.6	0	0	0	112.8	W367 L370 L403 H425 S428 A429	W367-Y431 VanDerWaalsContact CD1-O 3.29Å; L370-Y431 HydrophobicContact CD1-CD2 4.16Å; L370-Y431 HydrophobicContact CD1-CG 3.97Å; L403-Y431 HydrophobicContact CD2-CE2 4.36Å; H425-Y431 HydrophobicContact CB-CD2 4.43Å; H425-Y431 WeakPolarHBondContact O-CD2 3.26Å; S428-Y431 PolarHBondContact O-N 2.85Å; S428-Y431 VanDerWaalsContact O-N 3.1Å; A429-Y431 VanDerWaalsContact C-N 3.33Å; A429-Y431 PolarHBondContact O-N 3.28Å
432	K	74.1	Confident	87.1	Confident	129 Å²	129	68 Å²	68	56%	0.561	37%	0.367	S	S	*	.	S	Bend	trans	-59.3	148.2	172	-74.3	-174.2	177.1	-176.3	0	110.9
433	K	80	Confident	87.5	Confident	140 Å²	140	68.9 Å²	68.9	61%	0.609	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-49.4	128.8	173.8	-173.7	171.2	-177.8	169.7	0	109.9	W367	W367-K433 HydrophobicContact CZ2-CG 4.02Å
434	P	84.4	Confident	88	Confident	10 Å²	10	72.7 Å²	72.7	7%	0.065	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-58.5	144.2	176.5	-22.7	32.5	0	0	0	110.8	K330 W367 I436 T437	K330-P434 HydrophobicContact CB-CB 4.49Å; K330-P434 HydrophobicContact CD-CB 4.21Å; K330-P434 HydrophobicContact CD-CG 3.88Å; W367-P434 VanDerWaalsContact CD2-CD 3.46Å; W367-P434 HydrophobicContact CD2-CG 3.92Å; W367-P434 HydrophobicContact CE3-CG 3.64Å; W367-P434 HydrophobicContact CH2-CG 3.89Å; W367-P434 HydrophobicContact CZ2-CG 4.17Å; W367-P434 HydrophobicContact CZ3-CG 3.62Å; P434-I436 PolarHBondContact O-N 3.3Å; P434-T437 HydrophobicContact CB-CG2 4.44Å
435	P	85.4	Confident	88.4	Confident	109 Å²	109	69.1 Å²	69.1	71%	0.708	37%	0.369	S	S	*	.	S	Bend	trans	-65.2	-26.9	178.2	26.5	-33.9	0	0	0	112.4
436	I	92.1	Very high	88.5	Confident	40 Å²	40	70.1 Å²	70.1	21%	0.205	38%	0.384	C	S	.	.	S	Bend	trans	-123.5	118	-179.4	-45.7	173.6	0	0	0	107.4	Y328 F331 P434	Y328-I436 HydrophobicContact CD1-CD1 3.69Å; Y328-I436 HydrophobicContact CE1-CD1 3.55Å; Y328-I436 HydrophobicContact CG-CD1 4.43Å; F331-I436 HydrophobicContact CB-CG2 4.45Å; F331-I436 HydrophobicContact CD2-CB 4.42Å; F331-I436 HydrophobicContact CD2-CG2 3.58Å; F331-I436 HydrophobicContact CE2-CG2 4.15Å; F331-I436 HydrophobicContact CG-CG2 4.24Å; P434-I436 PolarHBondContact O-N 3.3Å
437	T	94.9	Very high	88.6	Confident	49 Å²	49	69.5 Å²	69.5	30%	0.301	38%	0.382	S	S	.	.			trans	-118.7	149	178.6	57.4	0	0	0	0	110.5	W367 P434	W367-T437 HydrophobicContact CH2-CG2 4.14Å; P434-T437 HydrophobicContact CB-CG2 4.44Å
438	V	97.2	Very high	88.4	Confident	23 Å²	23	64.2 Å²	64.2	14%	0.139	36%	0.364	C	S	.	.			trans	-75	132.7	174.4	-175.5	0	0	0	0	109.2	Y241 F331 A334 F335 E338	Y241-V438 HydrophobicContact CD2-CG1 4.44Å; Y241-V438 HydrophobicContact CE2-CG1 3.85Å; F331-V438 HydrophobicContact CD2-CG2 3.74Å; F331-V438 HydrophobicContact CE1-CG2 4.44Å; F331-V438 HydrophobicContact CE2-CB 4.29Å; F331-V438 HydrophobicContact CE2-CG2 3.58Å; F331-V438 HydrophobicContact CG-CG2 4.28Å; F331-V438 HydrophobicContact CZ-CG2 3.95Å; A334-V438 HydrophobicContact CB-CG2 3.76Å; F335-V438 HydrophobicContact CB-CG2 4.04Å; F335-V438 HydrophobicContact CD2-CG1 3.97Å; F335-V438 HydrophobicContact CD2-CG2 4.16Å; E338-V438 HydrophobicContact CG-CB 4.21Å; E338-V438 HydrophobicContact CG-CG1 3.8Å
439	D	96.8	Very high	87.8	Confident	48 Å²	48	70.2 Å²	70.2	26%	0.257	38%	0.384	S	S	.	.			trans	-104.1	109.3	172.9	-167.7	-28.5	0	0	0	109.7	Y241 K243 V441 C442	Y241-D439 VanDerWaalsContact CE2-O 3.31Å; Y241-D439 WeakPolarHBondContact CE2-O 3.38Å; Y241-D439 PolarHBondContact OH-N 2.89Å; K243-D439 HydrophobicContact CD-CB 3.66Å; K243-D439 IonicContact NZ-OD2 2.63Å; K243-D439 PolarHBondContact NZ-OD2 2.66Å; D439-V441 PolarHBondContact O-N 2.82Å; D439-V441 VanDerWaalsContact O-N 3.14Å; D439-V441 WeakPolarHBondContact OD1-CB 3.16Å; D439-V441 PolarHBondContact OD1-N 3.05Å; D439-V441 VanDerWaalsContact OD1-N 3.13Å; D439-C442 HydrophobicContact CB-CB 4.3Å; D439-C442 WeakPolarHBondContact O-CB 3.49Å; D439-C442 PolarHBondContact O-N 2.86Å
440	S	94.8	Very high	87.6	Confident	75 Å²	75	70.8 Å²	70.8	52%	0.524	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-61.1	-24.9	-176.1	55.3	0	0	0	0	113	C442 L443	S440-C442 PolarHBondContact O-N 3.14Å; S440-L443 PolarHBondContact O-N 3.42Å
441	V	97	Very high	87.1	Confident	125 Å²	125	68.9 Å²	68.9	76%	0.758	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-67.4	-28.2	175.7	-177.3	0	0	0	0	111.5	D439	D439-V441 PolarHBondContact O-N 2.82Å; D439-V441 VanDerWaalsContact O-N 3.14Å; D439-V441 WeakPolarHBondContact OD1-CB 3.16Å; D439-V441 PolarHBondContact OD1-N 3.05Å; D439-V441 VanDerWaalsContact OD1-N 3.13Å
442	C	97.6	Very high	86.3	Confident	31 Å²	31	71.8 Å²	71.8	21%	0.209	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-85.5	-8.2	177.9	-63.3	0	0	0	0	113.3	Y241 R242 K243 D439 S440	Y241-C442 HydrophobicContact CD2-CB 3.96Å; Y241-C442 HydrophobicContact CE2-CB 3.66Å; R242-C442 WeakPolarHBondContact O-CB 3.31Å; K243-C442 HydrophobicContact CB-CB 4.32Å; D439-C442 HydrophobicContact CB-CB 4.3Å; D439-C442 WeakPolarHBondContact O-CB 3.49Å; D439-C442 PolarHBondContact O-N 2.86Å; S440-C442 PolarHBondContact O-N 3.14Å
443	L	97.9	Very high	85.3	Confident	20 Å²	20	69.5 Å²	69.5	11%	0.105	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-87.6	109	180	-179.6	55.4	0	0	0	110.9	I240 Y241 F335 E338 L339 L342 S440 W445	I240-L443 HydrophobicContact CD1-CD1 4.25Å; Y241-L443 HydrophobicContact CD2-CB 4.16Å; F335-L443 HydrophobicContact CE1-CD1 4.45Å; F335-L443 HydrophobicContact CE2-CD1 3.83Å; F335-L443 HydrophobicContact CZ-CD1 3.52Å; E338-L443 HydrophobicContact CB-CD2 3.92Å; L339-L443 HydrophobicContact CD2-CD1 4.5Å; L339-L443 HydrophobicContact CD2-CD2 4.4Å; L342-L443 HydrophobicContact CD1-CD2 3.64Å; L342-L443 HydrophobicContact CD1-CG 4.12Å; S440-L443 PolarHBondContact O-N 3.42Å; L443-W445 HydrophobicContact CD1-CB 3.85Å; L443-W445 HydrophobicContact CG-CB 4.14Å; L443-W445 PolarHBondContact O-N 3.16Å
444	K	96.7	Very high	84.3	Confident	163 Å²	163	69.2 Å²	69.2	71%	0.709	37%	0.373	S	S	*	.			trans	-101.6	72.4	179.5	-62.4	178.1	-175.8	174.5	0	110.4	I240	I240-K444 PolarHBondContact O-N 3.49Å
445	W	97.3	Very high	82.9	Confident	27 Å²	27	72 Å²	72	10%	0.102	39%	0.387	C	S	.	.			trans	-139.6	150	-175	-171	87.2	0	0	0	112.4	I240 E250 L339 L342 E343 L443 P447	I240-W445 HydrophobicContact CD1-CG 4.36Å; E250-W445 PolarHBondContact OE1-NE1 3.4Å; L339-W445 HydrophobicContact CD2-CB 4.48Å; L339-W445 HydrophobicContact CD2-CD2 3.72Å; L339-W445 HydrophobicContact CD2-CE3 3.94Å; L339-W445 HydrophobicContact CD2-CG 3.98Å; L339-W445 HydrophobicContact CD2-CZ2 4.5Å; L339-W445 HydrophobicContact CD2-CZ3 4.39Å; L342-W445 HydrophobicContact CB-CE3 3.87Å; L342-W445 HydrophobicContact CB-CZ3 3.77Å; L342-W445 HydrophobicContact CD1-CB 4.44Å; L342-W445 HydrophobicContact CD1-CE3 3.73Å; L342-W445 HydrophobicContact CD1-CZ3 4.46Å; L342-W445 HydrophobicContact CG-CE3 4.47Å; E343-W445 HydrophobicContact CG-CH2 3.6Å; E343-W445 HydrophobicContact CG-CZ3 3.92Å; L443-W445 HydrophobicContact CD1-CB 3.85Å; L443-W445 HydrophobicContact CG-CB 4.14Å; L443-W445 PolarHBondContact O-N 3.16Å; W445-P447 VanDerWaalsContact CH2-CA 3.48Å; W445-P447 HydrophobicContact CH2-CB 4.16Å; W445-P447 HydrophobicContact CH2-CG 4.18Å; W445-P447 HydrophobicContact CZ3-CB 4.31Å; W445-P447 HydrophobicContact CZ3-CG 3.83Å
446	A	90.8	Very high	81.2	Confident	59 Å²	59	71.2 Å²	71.2	49%	0.488	38%	0.384	S	S	.	.			trans	-140.3	148.6	172.1	0	0	0	0	0	109.4
447	P	88.6	Confident	79	Confident	15 Å²	15	77.7 Å²	77.7	10%	0.097	41%	0.411	C	S	.	.			trans	-55.4	146.3	178.6	-25.7	33.9	0	0	0	112.2	L342 E343 W445 K451 Q452	L342-P447 VanDerWaalsContact O-CG 3.32Å; L342-P447 WeakPolarHBondContact O-CG 3.5Å; E343-P447 HydrophobicContact CG-CB 4.2Å; E343-P447 HydrophobicContact CG-CG 4.07Å; W445-P447 VanDerWaalsContact CH2-CA 3.48Å; W445-P447 HydrophobicContact CH2-CB 4.16Å; W445-P447 HydrophobicContact CH2-CG 4.18Å; W445-P447 HydrophobicContact CZ3-CB 4.31Å; W445-P447 HydrophobicContact CZ3-CG 3.83Å; P447-K451 HydrophobicContact CB-CB 4.37Å; P447-Q452 HydrophobicContact CB-CG 4.2Å; P447-Q452 WeakPolarHBondContact O-CG 3.44Å; P447-Q452 PolarHBondContact O-NE2 2.9Å
448	P	82.2	Confident	76.4	Confident	49 Å²	49	87.1 Å²	87.1	32%	0.318	45%	0.447	S	S	.	.			trans	-53.6	145.2	174.4	-27.5	35.1	0	0	0	112.4	H450 K451 Q452	P448-H450 WeakPolarHBondContact CB-CE1 3.48Å; P448-H450 PolarHBondContact O-N 3.3Å; P448-K451 WeakPolarHBondContact O-CA 3.45Å; P448-K451 PolarHBondContact O-N 2.9Å; P448-Q452 PolarHBondContact O-N 2.9Å; P448-Q452 VanDerWaalsContact O-N 3.14Å
449	K	71.4	Confident	75.4	Confident	175 Å²	175	90.3 Å²	90.3	76%	0.761	46%	0.463	S	S	*	.	H	α-helix	trans	-50.5	-38.3	-174.4	-68.3	-175.9	178.9	-179.5	0	114	K451 Q452 V453	K449-K451 VanDerWaalsContact C-N 3.29Å; K449-K451 PolarHBondContact O-N 2.85Å; K449-Q452 PolarHBondContact O-N 3.33Å; K449-V453 WeakPolarHBondContact O-CG2 3.47Å; K449-V453 PolarHBondContact O-N 3.3Å
450	H	68.4	Low	74.2	Confident	91 Å²	91	92.5 Å²	92.5	42%	0.421	47%	0.474	S	S	.	.	H	α-helix	trans	-64.9	-29.9	178.5	62.3	-90.7	0	0	0	113.2	E307 P448	E307-H450 IonicContact OE1-CD2 2.75Å; E307-H450 PolarHBondContact OE1-CD2 3.03Å; E307-H450 IonicContact OE1-NE2 3.16Å; E307-H450 PolarHBondContact OE1-NE2 3.18Å; P448-H450 WeakPolarHBondContact CB-CE1 3.48Å; P448-H450 PolarHBondContact O-N 3.3Å
451	K	63.3	Low	73.1	Confident	43 Å²	43	93.5 Å²	93.5	19%	0.187	47%	0.471	C	S	.	.	H	α-helix	trans	-80.4	-32.5	173.1	-63.7	-169.4	-177.2	178.1	0	112.1	K306 E343 P447 P448 K449 V453 K454 L455	K306-K451 WeakPolarHBondContact O-CE 3.1Å; K306-K451 PolarHBondContact O-NZ 2.83Å; E343-K451 IonicContact OE1-NZ 3.18Å; E343-K451 PolarHBondContact OE1-NZ 3.44Å; P447-K451 HydrophobicContact CB-CB 4.37Å; P448-K451 WeakPolarHBondContact O-CA 3.45Å; P448-K451 PolarHBondContact O-N 2.9Å; K449-K451 VanDerWaalsContact C-N 3.29Å; K449-K451 PolarHBondContact O-N 2.85Å; K451-V453 VanDerWaalsContact C-N 3.33Å; K451-V453 PolarHBondContact O-N 3.03Å; K451-K454 WeakPolarHBondContact O-CB 3.45Å; K451-K454 PolarHBondContact O-N 2.87Å; K451-K454 VanDerWaalsContact O-N 3.16Å; K451-L455 PolarHBondContact O-N 3.35Å
452	Q	60.6	Low	71.7	Confident	87 Å²	87	91.6 Å²	91.6	41%	0.407	45%	0.454	S	S	.	.	H	α-helix	trans	-61.9	-38.5	175	-63.3	-174.9	-2.7	0	0	112.5	P447 P448 K449 K454 L455 S456	P447-Q452 HydrophobicContact CB-CG 4.2Å; P447-Q452 WeakPolarHBondContact O-CG 3.44Å; P447-Q452 PolarHBondContact O-NE2 2.9Å; P448-Q452 PolarHBondContact O-N 2.9Å; P448-Q452 VanDerWaalsContact O-N 3.14Å; K449-Q452 PolarHBondContact O-N 3.33Å; Q452-K454 VanDerWaalsContact C-N 3.3Å; Q452-K454 PolarHBondContact O-N 3.37Å; Q452-L455 PolarHBondContact O-N 2.91Å; Q452-L455 VanDerWaalsContact O-N 3.16Å; Q452-S456 PolarHBondContact O-N 2.83Å; Q452-S456 PolarHBondContact O-OG 2.67Å
453	V	54.3	Low	70.1	Confident	80 Å²	80	95.4 Å²	95.4	49%	0.485	47%	0.469	S	S	.	.	H	α-helix	trans	-66.5	-30.2	176.1	178.1	0	0	0	0	112.4	K449 K451 S456 K457	K449-V453 WeakPolarHBondContact O-CG2 3.47Å; K449-V453 PolarHBondContact O-N 3.3Å; K451-V453 VanDerWaalsContact C-N 3.33Å; K451-V453 PolarHBondContact O-N 3.03Å; V453-S456 PolarHBondContact O-OG 3.47Å; V453-K457 WeakPolarHBondContact O-CG 3.34Å
454	K	57.8	Low	68.2	Low	135 Å²	135	100.5 Å²	100.5	59%	0.587	49%	0.494	S	S	*	.	H	α-helix	trans	-72.1	-36.2	172.5	-71.6	179.8	179.6	172.5	0	111.4	K451 Q452 K457	K451-K454 WeakPolarHBondContact O-CB 3.45Å; K451-K454 PolarHBondContact O-N 2.87Å; K451-K454 VanDerWaalsContact O-N 3.16Å; Q452-K454 VanDerWaalsContact C-N 3.3Å; Q452-K454 PolarHBondContact O-N 3.37Å; K454-K457 PolarHBondContact O-N 3.13Å
455	L	55.5	Low	66.2	Low	67 Å²	67	96 Å²	96	35%	0.351	48%	0.478	S	S	.	.	H	α-helix	trans	-70	-37.7	177.7	-73.3	163.2	0	0	0	112.4	K451 Q452 K457 K458	K451-L455 PolarHBondContact O-N 3.35Å; Q452-L455 PolarHBondContact O-N 2.91Å; Q452-L455 VanDerWaalsContact O-N 3.16Å; L455-K457 PolarHBondContact O-N 3.05Å; L455-K458 PolarHBondContact O-N 2.68Å
456	S	49.6	Very low	63.8	Low	94 Å²	94	101.3 Å²	101.3	66%	0.657	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-5.6	178.2	65.8	0	0	0	0	114.7	Q452 V453	Q452-S456 PolarHBondContact O-N 2.83Å; Q452-S456 PolarHBondContact O-OG 2.67Å; V453-S456 PolarHBondContact O-OG 3.47Å
457	K	46.9	Very low	61.6	Low	176 Å²	176	104.8 Å²	104.8	77%	0.765	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-1.6	179.6	-73.7	-176.8	178.6	-174.8	0	113.4	V453 K454 L455	V453-K457 WeakPolarHBondContact O-CG 3.34Å; K454-K457 PolarHBondContact O-N 3.13Å; L455-K457 PolarHBondContact O-N 3.05Å
458	K	40.1	Very low	59.1	Low	246 Å²	246	113 Å²	113	100%	1.07	55%	0.546	S	S	*	.			trans	-108.9	0	170.5	-79	-175.3	174.8	-179	0	108.8	L455	L455-K458 PolarHBondContact O-N 2.68Å

Retrieved 458 of 458 residues in 83.6 ms (Link to these results)

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