A0A0D9RRZ6_CHLSB Loading...

E3 ubiquitin-protein ligase ARIH2

AlphaFold DB , UniProt , Accession A0A0D9RRZ6, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene ARIH2, Length 493 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.2	Very low	34	Very low	243 Å²	243	134.2 Å²	134.2	100%	1.197	78%	0.775	S	S	*	*				0	107.9	0	-56.9	-177.6	-170.3	0	0	104.5
2	S	36.1	Very low	34.1	Very low	103 Å²	103	130.2 Å²	130.2	72%	0.72	76%	0.76	S	S	*	*			cis	-165.3	136.1	26.1	-66.4	0	0	0	0	105.8
3	V	32.3	Very low	34	Very low	121 Å²	121	131.9 Å²	131.9	73%	0.733	77%	0.765	S	S	*	*				27	135.8	108	-69.5	0	0	0	0	114.7
4	D	31.6	Very low	34	Very low	124 Å²	124	136.6 Å²	136.6	66%	0.663	78%	0.776	S	S	*	*			cis	-177.5	161.7	7	-117.6	-33.2	0	0	0	108.8
5	M	34.9	Very low	34.3	Very low	154 Å²	154	138.9 Å²	138.9	76%	0.759	78%	0.778	S	S	*	*			trans	64.8	150	138.5	-64.1	-92	171.7	0	0	120.7
6	N	33.7	Very low	34.3	Very low	128 Å²	128	140.6 Å²	140.6	68%	0.684	79%	0.785	S	S	*	*			cis	177	169	-14.1	-164.2	7.5	0	0	0	107
7	S	37.3	Very low	34.4	Very low	97 Å²	97	144.9 Å²	144.9	68%	0.678	79%	0.788	S	S	*	*			trans	125	90.6	159.1	-177.7	0	0	0	0	113.2
8	Q	37	Very low	34.6	Very low	177 Å²	177	145.3 Å²	145.3	83%	0.827	79%	0.789	S	S	*	*				74.4	135	87.6	-72.2	-177.1	-3.8	0	0	113.7
9	G	31.3	Very low	35.2	Very low	62 Å²	62	142.2 Å²	142.2	64%	0.639	78%	0.777	S	S	*	*			cis	-156.5	161.9	13.5	0	0	0	0	0	113.2
10	S	35.7	Very low	35	Very low	118 Å²	118	142.6 Å²	142.6	83%	0.825	78%	0.778	S	S	*	*				86.2	131.5	111.3	67.1	0	0	0	0	114
11	D	31.1	Very low	34.8	Very low	149 Å²	149	140.6 Å²	140.6	80%	0.797	77%	0.774	S	S	*	*			cis	-165.3	153.4	-4.9	-146.2	-17.6	0	0	0	108.6
12	S	35.6	Very low	34.7	Very low	86 Å²	86	138.7 Å²	138.7	60%	0.601	76%	0.762	S	S	*	*			trans	34.9	119	152.1	52.5	0	0	0	0	121.8
13	N	31.7	Very low	34.7	Very low	153 Å²	153	142.6 Å²	142.6	82%	0.818	77%	0.769	S	S	*	*				77.9	120.2	68.7	-79.2	4.6	0	0	0	114.1
14	E	34.3	Very low	34.7	Very low	197 Å²	197	145.6 Å²	145.6	92%	0.921	78%	0.775	S	S	*	*				-169.2	136.7	104.8	-101.4	171.8	-176.9	0	0	111.5
15	E	39.4	Very low	34.9	Very low	172 Å²	172	148.5 Å²	148.5	80%	0.804	79%	0.785	S	S	*	*			trans	-79.3	159.4	176.4	-61.2	170.2	147.6	0	0	109.5
16	D	33.4	Very low	34.8	Very low	166 Å²	166	149.4 Å²	149.4	89%	0.888	79%	0.787	S	S	*	*				-176.9	144.6	119.1	-92.8	-23.9	0	0	0	112.4
17	Y	35.9	Very low	34.8	Very low	214 Å²	214	151.6 Å²	151.6	84%	0.839	79%	0.793	S	S	*	*			trans	-122.9	123.2	-176.2	-159.6	-80.5	0	0	0	106
18	D	38.3	Very low	34.6	Very low	151 Å²	151	155.8 Å²	155.8	81%	0.807	80%	0.802	S	S	*	*			trans	-158.5	127.2	145.4	-149.5	-6.3	0	0	0	114.4
19	P	45.4	Very low	34.3	Very low	87 Å²	87	154.7 Å²	154.7	57%	0.565	80%	0.802	S	S	*	*				48.5	98.9	115.6	42.3	-42	0	0	0	126.1
20	N	32.1	Very low	34.6	Very low	149 Å²	149	161 Å²	161	80%	0.797	82%	0.815	S	S	*	*				93.8	130.3	126.8	-127.9	27.2	0	0	0	122.5
21	C	30	Very low	34.5	Very low	102 Å²	102	162.5 Å²	162.5	69%	0.689	81%	0.813	S	S	*	*			trans	61.3	116.4	147.3	-70.6	0	0	0	0	121.4
22	E	32.6	Very low	35.1	Very low	203 Å²	203	161.3 Å²	161.3	95%	0.949	81%	0.814	S	S	*	*				-157.9	141.9	118.6	-104.4	168.4	-156.3	0	0	110.4
23	E	34.7	Very low	35	Very low	185 Å²	185	160 Å²	160	86%	0.864	81%	0.813	S	S	*	*			trans	-80.8	134.9	-173.1	-61.7	165	157.1	0	0	110.9
24	E	33	Very low	35.4	Very low	184 Å²	184	159.9 Å²	159.9	86%	0.86	81%	0.813	S	S	*	*			trans	-137.9	108.6	151.2	-72.8	-168.8	163	0	0	108.6
25	E	35.4	Very low	35.7	Very low	185 Å²	185	158.1 Å²	158.1	86%	0.864	81%	0.808	S	S	*	*			trans	-74.3	116.5	166.8	-66.8	178.1	156.4	0	0	108.3
26	E	32.1	Very low	35.7	Very low	172 Å²	172	158.2 Å²	158.2	80%	0.804	81%	0.809	S	S	*	*			trans	-110.9	104.5	161.1	-73.3	-169.5	160.9	0	0	108.3	E28	E26-E28 PolarHBondContact O-N 3.05Å
27	E	34.8	Very low	36	Very low	174 Å²	174	157 Å²	157	81%	0.813	80%	0.802	S	S	*	*			trans	-65.5	118.3	164.4	-65.8	-174.5	154	0	0	108.7
28	E	33.3	Very low	35.9	Very low	185 Å²	185	156.5 Å²	156.5	86%	0.864	80%	0.8	S	S	*	*			trans	-117.4	118.2	159.1	-79	-166.9	161.9	0	0	109.5	E26	E26-E28 PolarHBondContact O-N 3.05Å
29	D	30.9	Very low	36	Very low	154 Å²	154	159 Å²	159	82%	0.824	80%	0.8	S	S	*	*			trans	-56.6	132.4	-171	-67.6	-65.7	0	0	0	114.6	D31	D29-D31 PolarHBondContact O-N 2.99Å
30	E	36.3	Very low	35.7	Very low	196 Å²	196	160.9 Å²	160.9	92%	0.916	81%	0.81	S	S	*	*			trans	-71.9	111.4	160.5	-72.8	-178.2	156	0	0	110
31	D	33.7	Very low	36.1	Very low	148 Å²	148	156.7 Å²	156.7	79%	0.791	80%	0.801	S	S	*	*			trans	-105.9	109.3	158.2	-170.9	21.1	0	0	0	109.6	D29 G33	D29-D31 PolarHBondContact O-N 2.99Å; D31-G33 VanDerWaalsContact C-N 3.31Å; D31-G33 PolarHBondContact O-N 2.89Å
32	P	45.1	Very low	36.3	Very low	124 Å²	124	157.9 Å²	157.9	81%	0.805	81%	0.805	S	S	*	*			trans	-81.7	77.7	178.3	32.3	-30.4	0	0	0	110
33	G	32.3	Very low	36.6	Very low	58 Å²	58	153.3 Å²	153.3	60%	0.598	80%	0.802	S	S	*	*			trans	-97.2	110.6	174.5	0	0	0	0	0	112.9	D31 I35	D31-G33 VanDerWaalsContact C-N 3.31Å; D31-G33 PolarHBondContact O-N 2.89Å; G33-I35 PolarHBondContact O-N 3.3Å
34	D	41.1	Very low	37	Very low	152 Å²	152	148.4 Å²	148.4	81%	0.813	79%	0.788	S	S	*	*			trans	20.1	91.9	158.4	-78.3	-32.6	0	0	0	118.3	E36	D34-E36 VanDerWaalsContact C-N 3.32Å
35	I	40.4	Very low	37.3	Very low	159 Å²	159	146.3 Å²	146.3	82%	0.815	78%	0.783	S	S	*	*			trans	-95.6	33.7	166	-153.6	161.5	0	0	0	112.1	G33	G33-I35 PolarHBondContact O-N 3.3Å
36	E	39.4	Very low	37.4	Very low	174 Å²	174	144 Å²	144	81%	0.813	78%	0.781	S	S	*	*			trans	-87.5	-5.7	177.4	-91.3	-169.9	163.7	0	0	114.5	D34	D34-E36 VanDerWaalsContact C-N 3.32Å
37	D	39	Very low	37.8	Very low	141 Å²	141	143.4 Å²	143.4	75%	0.754	78%	0.778	S	S	*	*	S	Bend	trans	-112.1	7.5	-171.3	-96.4	-18.6	0	0	0	116.7
38	Y	34.8	Very low	38.1	Very low	203 Å²	203	144.2 Å²	144.2	80%	0.796	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-4.3	-179.9	-151.2	-99	0	0	0	114.9
39	Y	39.7	Very low	38.6	Very low	203 Å²	203	144 Å²	144	80%	0.796	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	15.3	-178.1	-75.4	-74.8	0	0	0	115.1
40	V	39.6	Very low	39	Very low	128 Å²	128	139.3 Å²	139.3	78%	0.776	77%	0.769	S	S	*	*	S	Bend	trans	-102.2	80.4	171.5	-172.4	0	0	0	0	109
41	G	39.4	Very low	39.1	Very low	60 Å²	60	134.9 Å²	134.9	62%	0.619	77%	0.766	S	S	*	*	S	Bend	trans	168	-21.1	172.8	0	0	0	0	0	118.4	A43	G41-A43 VanDerWaalsContact C-N 3.26Å; G41-A43 PolarHBondContact O-N 3.13Å
42	V	35.3	Very low	39.8	Very low	127 Å²	127	135.7 Å²	135.7	77%	0.77	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	32.9	-176	-80.7	0	0	0	0	114.1
43	A	39.3	Very low	40.2	Very low	108 Å²	108	133 Å²	133	89%	0.893	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	5.2	175	0	0	0	0	0	114	G41	G41-A43 VanDerWaalsContact C-N 3.26Å; G41-A43 PolarHBondContact O-N 3.13Å
44	S	41.7	Very low	41.7	Very low	81 Å²	81	136.6 Å²	136.6	57%	0.566	76%	0.758	S	S	*	*	S	Bend	trans	-123.9	148.8	163	75.9	0	0	0	0	109.3
45	D	40.6	Very low	43.2	Very low	140 Å²	140	131.2 Å²	131.2	75%	0.749	73%	0.729	S	S	*	*			trans	93.5	56.9	165.8	-43.1	-13.8	0	0	0	116.4
46	V	37.6	Very low	44.9	Very low	136 Å²	136	123.8 Å²	123.8	82%	0.824	69%	0.691	S	S	*	*			trans	-127.2	68.9	138.3	-169.3	0	0	0	0	108.5	Q48	V46-Q48 PolarHBondContact O-N 3.48Å
47	E	38.9	Very low	46.9	Very low	161 Å²	161	116.3 Å²	116.3	75%	0.752	66%	0.657	S	S	*	*			trans	-74.8	105.2	158.8	-73.4	-173.1	166	0	0	107.9	Q49	E47-Q49 VanDerWaalsContact C-N 3.26Å; E47-Q49 PolarHBondContact O-N 3.06Å
48	Q	41.8	Very low	49	Very low	190 Å²	190	115.8 Å²	115.8	89%	0.888	65%	0.649	S	S	*	*			trans	-65.1	95.5	157.7	-91.9	172.5	-17.1	0	0	107.7	V46 G50	V46-Q48 PolarHBondContact O-N 3.48Å; Q48-G50 PolarHBondContact O-N 3.03Å
49	Q	44	Very low	51.6	Low	180 Å²	180	107.7 Å²	107.7	84%	0.841	62%	0.618	S	S	*	*			trans	-65.2	97.7	172.3	-71.9	178.3	-3.7	0	0	109.9	E47	E47-Q49 VanDerWaalsContact C-N 3.26Å; E47-Q49 PolarHBondContact O-N 3.06Å
50	G	38.3	Very low	54.1	Low	56 Å²	56	104 Å²	104	58%	0.577	61%	0.608	S	S	*	*			trans	-104.2	131.2	152.8	0	0	0	0	0	108.6	Q48	Q48-G50 PolarHBondContact O-N 3.03Å
51	A	39.7	Very low	56.7	Low	104 Å²	104	101.2 Å²	101.2	86%	0.86	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.6	136.6	-179.1	0	0	0	0	0	112.7
52	D	48	Very low	59.4	Low	165 Å²	165	101.2 Å²	101.2	88%	0.882	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.6	36.8	173.4	-65.2	-14	0	0	0	119.3	F54	D52-F54 PolarHBondContact O-N 3.29Å
53	A	53.9	Low	62.3	Low	66 Å²	66	96.3 Å²	96.3	55%	0.545	55%	0.545	S	S	.	.			trans	-84.3	69.1	175.1	0	0	0	0	0	113.5	D55	A53-D55 PolarHBondContact O-N 3.04Å
54	F	62.5	Low	65.1	Low	135 Å²	135	91.9 Å²	91.9	59%	0.592	51%	0.506	S	S	*	.			trans	-57.8	108.7	162	178.7	-99.4	0	0	0	108.5	D52 P56	D52-F54 PolarHBondContact O-N 3.29Å; F54-P56 HydrophobicContact CE1-CB 4.28Å; F54-P56 WeakPolarHBondContact O-CD 3.35Å
55	D	73.2	Confident	67.6	Low	38 Å²	38	90.9 Å²	90.9	20%	0.203	50%	0.496	C	S	.	.			trans	-76.4	114.8	168.3	-172.3	-16.9	0	0	0	107	A53 E57 E58 K419	A53-D55 PolarHBondContact O-N 3.04Å; D55-E57 PolarHBondContact O-N 2.85Å; D55-E57 WeakPolarHBondContact OD1-CB 3.5Å; D55-E57 PolarHBondContact OD1-N 3.35Å; D55-E58 HydrophobicContact CB-CB 4.24Å; D55-E58 WeakPolarHBondContact O-CB 3.47Å; D55-E58 PolarHBondContact O-N 3.43Å; D55-K419 IonicContact OD2-NZ 2.66Å
56	P	77	Confident	70	Confident	3 Å²	3	88.1 Å²	88.1	2%	0.019	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-9.9	179.2	26	-35.1	0	0	0	113.3	F54 R245 R484 L487	F54-P56 HydrophobicContact CE1-CB 4.28Å; F54-P56 WeakPolarHBondContact O-CD 3.35Å; P56-R245 PolarHBondContact O-NH1 2.94Å; P56-R484 HydrophobicContact CG-CB 4.38Å; P56-R484 HydrophobicContact CG-CG 4.38Å; P56-L487 HydrophobicContact CB-CB 4.15Å; P56-L487 HydrophobicContact CG-CB 3.84Å; P56-L487 HydrophobicContact CG-CD1 4.37Å
57	E	81.7	Confident	72.6	Confident	18 Å²	18	89.8 Å²	89.8	8%	0.084	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-1	177.3	-54.9	-177.5	107.4	0	0	113.5	D55 Y59 Y264 K419 R483 L487	D55-E57 PolarHBondContact O-N 2.85Å; D55-E57 WeakPolarHBondContact OD1-CB 3.5Å; D55-E57 PolarHBondContact OD1-N 3.35Å; E57-Y59 PolarHBondContact O-N 3.06Å; E57-Y264 WeakPolarHBondContact OE1-CE1 3.5Å; E57-Y264 PolarHBondContact OE1-OH 3.28Å; E57-Y264 VanDerWaalsContact OE1-OH 3.09Å; E57-K419 WeakPolarHBondContact OE2-CE 3.47Å; E57-K419 IonicContact OE2-NZ 2.78Å; E57-R483 VanDerWaalsContact CD-NH1 3.34Å; E57-R483 IonicContact OE1-NH1 3.73Å; E57-R483 IonicContact OE2-CZ 2.75Å; E57-R483 IonicContact OE2-NH1 2.89Å; E57-R483 PolarHBondContact OE2-NH1 3.44Å; E57-R483 IonicContact OE2-NH2 3.13Å; E57-R483 PolarHBondContact OE2-NH2 2.89Å; E57-L487 HydrophobicContact CG-CD1 3.78Å
58	E	83.1	Confident	75.3	Confident	129 Å²	129	87.1 Å²	87.1	60%	0.603	46%	0.46	S	S	*	.			trans	-58.8	127.9	176.4	-167	179.5	172.3	0	0	110	D55	D55-E58 HydrophobicContact CB-CB 4.24Å; D55-E58 WeakPolarHBondContact O-CB 3.47Å; D55-E58 PolarHBondContact O-N 3.43Å
59	Y	87.9	Confident	77.8	Confident	34 Å²	34	78.1 Å²	78.1	13%	0.133	42%	0.417	C	S	.	.			trans	-153.2	125.4	-177.2	-174.3	-125.1	0	0	0	110.3	E57 F61 V239 E241 R243 R245 V247	E57-Y59 PolarHBondContact O-N 3.06Å; Y59-F61 HydrophobicContact CD1-CD1 4.19Å; Y59-F61 VanDerWaalsContact O-CD1 3.26Å; Y59-F61 WeakPolarHBondContact O-CD1 3.35Å; Y59-V239 HydrophobicContact CE1-CB 4.15Å; Y59-V239 HydrophobicContact CE1-CG1 3.5Å; Y59-V239 VanDerWaalsContact CE1-CG1 3.5Å; Y59-V239 VanDerWaalsContact OH-CB 3.23Å; Y59-V239 WeakPolarHBondContact OH-CB 3.26Å; Y59-V239 WeakPolarHBondContact OH-CG1 3.33Å; Y59-V239 WeakPolarHBondContact OH-CG2 3.39Å; Y59-E241 WeakPolarHBondContact CE2-O 3.28Å; Y59-E241 PolarHBondContact OH-O 2.87Å; Y59-R243 PolarHBondContact OH-N 3.05Å; Y59-R245 HydrophobicContact CD1-CB 3.36Å; Y59-R245 HydrophobicContact CD1-CG 4.18Å; Y59-R245 HydrophobicContact CD2-CB 3.8Å; Y59-R245 HydrophobicContact CD2-CG 3.64Å; Y59-R245 HydrophobicContact CE1-CB 3.65Å; Y59-R245 HydrophobicContact CE1-CG 4.38Å; Y59-R245 HydrophobicContact CE2-CB 4.08Å; Y59-R245 HydrophobicContact CE2-CG 3.89Å; Y59-R245 HydrophobicContact CG-CB 3.41Å; Y59-R245 VanDerWaalsContact CG-CB 3.41Å; Y59-R245 HydrophobicContact CG-CG 3.78Å; Y59-V247 HydrophobicContact CD1-CG1 3.82Å; Y59-V247 HydrophobicContact CE1-CG1 3.8Å
60	Q	91.8	Very high	80.1	Confident	126 Å²	126	73.1 Å²	73.1	59%	0.589	39%	0.394	S	S	*	.			trans	-82.7	120.9	-178.7	-65.8	-177.9	1.2	0	0	110.7
61	F	94.8	Very high	82.7	Confident	69 Å²	69	71.9 Å²	71.9	30%	0.303	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	159.6	175.5	65.8	-91.3	0	0	0	111	Y59 I237 R238 V239 V247 Q248	Y59-F61 HydrophobicContact CD1-CD1 4.19Å; Y59-F61 VanDerWaalsContact O-CD1 3.26Å; Y59-F61 WeakPolarHBondContact O-CD1 3.35Å; F61-I237 HydrophobicContact CB-CG2 4Å; F61-I237 HydrophobicContact CD2-CG2 4.03Å; F61-I237 HydrophobicContact CG-CG2 4.29Å; F61-R238 CarbonylContact C-O 3.54Å; F61-R238 VanDerWaalsContact CA-O 3.25Å; F61-R238 WeakPolarHBondContact CA-O 3.24Å; F61-R238 WeakPolarHBondContact CB-O 3.36Å; F61-V239 HydrophobicContact CB-CG1 3.89Å; F61-V247 HydrophobicContact CB-CG1 4.17Å; F61-V247 HydrophobicContact CD1-CB 4.29Å; F61-V247 HydrophobicContact CD1-CG1 3.82Å; F61-V247 HydrophobicContact CD2-CB 4.41Å; F61-V247 HydrophobicContact CD2-CG1 4.45Å; F61-V247 HydrophobicContact CE1-CB 4.39Å; F61-V247 HydrophobicContact CE1-CG1 4.34Å; F61-V247 HydrophobicContact CG-CB 4.31Å; F61-V247 HydrophobicContact CG-CG1 3.89Å; F61-Q248 WeakPolarHBondContact CE2-O 3.47Å; F61-Q248 HydrophobicContact CZ-CB 4.34Å
62	T	96.4	Very high	85.1	Confident	59 Å²	59	68 Å²	68	36%	0.362	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	137.8	175.8	57.6	0	0	0	0	110.2	R238	T62-R238 PolarHBondContact N-O 2.94Å; T62-R238 PolarHBondContact O-N 2.86Å; T62-R238 PolarHBondContact OG1-NE 3.43Å
63	C	96.6	Very high	87.2	Confident	25 Å²	25	60.5 Å²	60.5	17%	0.169	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	123.5	171.3	-63.2	0	0	0	0	109.4	M235 I237 N250	C63-M235 HydrophobicContact CB-CE 3.78Å; C63-I237 HydrophobicContact CB-CD1 4.28Å; C63-I237 WeakPolarHBondContact SG-CD1 3.42Å; C63-N250 HydrophobicContact CB-CB 4.43Å; C63-N250 VanDerWaalsContact CB-OD1 3.31Å; C63-N250 WeakPolarHBondContact CB-OD1 3.42Å
64	L	96.7	Very high	89	Confident	14 Å²	14	60 Å²	60	7%	0.073	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.4	179.2	-55.6	-179.9	0	0	0	110	E68 L225 M235 V236 R238	L64-E68 HydrophobicContact CB-CB 4.15Å; L64-E68 HydrophobicContact CD2-CB 4.31Å; L64-L225 HydrophobicContact CD1-CD2 4.29Å; L64-M235 VanDerWaalsContact C-CE 3.44Å; L64-M235 VanDerWaalsContact O-CE 3.29Å; L64-M235 WeakPolarHBondContact O-CE 3.17Å; L64-V236 HydrophobicContact CB-CB 4.43Å; L64-V236 PolarHBondContact N-O 2.72Å; L64-V236 PolarHBondContact O-N 2.94Å; L64-R238 HydrophobicContact CD1-CB 3.81Å; L64-R238 HydrophobicContact CG-CB 4.24Å
65	T	95.8	Very high	90.3	Very high	60 Å²	60	60.3 Å²	60.3	37%	0.368	30%	0.301	S	S	.	.			trans	-70.6	167.8	167.1	63.5	0	0	0	0	111	K67 E68 S69 M235	T65-K67 VanDerWaalsContact C-N 3.26Å; T65-K67 PolarHBondContact O-N 3.04Å; T65-E68 WeakPolarHBondContact CB-OE2 3.41Å; T65-E68 WeakPolarHBondContact CG2-OE2 3.45Å; T65-E68 PolarHBondContact N-OE2 3.28Å; T65-E68 PolarHBondContact O-N 2.92Å; T65-E68 WeakPolarHBondContact OG1-CG 3.3Å; T65-E68 PolarHBondContact OG1-N 3.04Å; T65-E68 PolarHBondContact OG1-OE2 3.41Å; T65-S69 WeakPolarHBondContact O-CB 3.27Å; T65-S69 PolarHBondContact O-N 2.82Å; T65-S69 PolarHBondContact O-OG 3.42Å; T65-M235 HydrophobicContact CG2-CE 4.35Å; T65-M235 HydrophobicContact CG2-SD 4.34Å
66	Y	90.6	Very high	90.9	Very high	83 Å²	83	62.1 Å²	62.1	33%	0.325	31%	0.308	S	S	.	.	H	α-helix	trans	-52	-44.2	173	178.2	-86.6	0	0	0	112.2	S69 E70 F215	Y66-S69 WeakPolarHBondContact CA-OG 3.42Å; Y66-S69 PolarHBondContact O-OG 3.28Å; Y66-E70 HydrophobicContact CE1-CB 4.44Å; Y66-E70 VanDerWaalsContact O-CB 3.24Å; Y66-E70 WeakPolarHBondContact O-CB 3.28Å; Y66-E70 PolarHBondContact O-N 3.31Å; Y66-E70 PolarHBondContact OH-OE1 3.18Å; Y66-F215 AromaticContact CD2-CD1 3.98Å; Y66-F215 HydrophobicContact CD2-CD1 3.98Å; Y66-F215 HydrophobicContact CD2-CD2 4.18Å; Y66-F215 AromaticContact CD2-CE1 3.71Å; Y66-F215 HydrophobicContact CD2-CE1 3.71Å; Y66-F215 AromaticContact CD2-CE2 3.93Å; Y66-F215 HydrophobicContact CD2-CE2 3.93Å; Y66-F215 HydrophobicContact CD2-CG 4.2Å; Y66-F215 AromaticContact CD2-CZ 3.68Å; Y66-F215 HydrophobicContact CD2-CZ 3.68Å; Y66-F215 HydrophobicContact CE2-CB 4.17Å; Y66-F215 AromaticContact CE2-CD1 3.71Å; Y66-F215 HydrophobicContact CE2-CD1 3.71Å; Y66-F215 AromaticContact CE2-CD2 3.59Å; Y66-F215 HydrophobicContact CE2-CD2 3.59Å; Y66-F215 AromaticContact CE2-CE1 3.92Å; Y66-F215 HydrophobicContact CE2-CE1 3.92Å; Y66-F215 AromaticContact CE2-CE2 3.81Å; Y66-F215 HydrophobicContact CE2-CE2 3.81Å; Y66-F215 AromaticContact CE2-CG 3.53Å; Y66-F215 HydrophobicContact CE2-CG 3.53Å; Y66-F215 AromaticContact CE2-CZ 3.96Å; Y66-F215 HydrophobicContact CE2-CZ 3.96Å; Y66-F215 HydrophobicContact CG-CZ 4.49Å
67	K	92.6	Very high	91.6	Very high	171 Å²	171	62.6 Å²	62.6	74%	0.743	31%	0.31	S	S	*	.	H	α-helix	trans	-67.9	-42.5	-178.1	-69	-176.1	178.5	179.3	0	112.5	T65 G71	T65-K67 VanDerWaalsContact C-N 3.26Å; T65-K67 PolarHBondContact O-N 3.04Å; K67-G71 PolarHBondContact O-N 3.13Å
68	E	95	Very high	92.1	Very high	105 Å²	105	65.2 Å²	65.2	49%	0.491	33%	0.327	S	S	.	.	H	α-helix	trans	-67.9	-41.8	-179.9	-69	163.1	136.1	0	0	111.6	L64 T65 G71 A72	L64-E68 HydrophobicContact CB-CB 4.15Å; L64-E68 HydrophobicContact CD2-CB 4.31Å; T65-E68 WeakPolarHBondContact CB-OE2 3.41Å; T65-E68 WeakPolarHBondContact CG2-OE2 3.45Å; T65-E68 PolarHBondContact N-OE2 3.28Å; T65-E68 PolarHBondContact O-N 2.92Å; T65-E68 WeakPolarHBondContact OG1-CG 3.3Å; T65-E68 PolarHBondContact OG1-N 3.04Å; T65-E68 PolarHBondContact OG1-OE2 3.41Å; E68-G71 PolarHBondContact O-N 3.24Å; E68-A72 PolarHBondContact O-N 3.27Å
69	S	94.2	Very high	92.4	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-67	-40.9	176	49.9	0	0	0	0	112.1	T65 Y66 A72 L73 F215	T65-S69 WeakPolarHBondContact O-CB 3.27Å; T65-S69 PolarHBondContact O-N 2.82Å; T65-S69 PolarHBondContact O-OG 3.42Å; Y66-S69 WeakPolarHBondContact CA-OG 3.42Å; Y66-S69 PolarHBondContact O-OG 3.28Å; S69-A72 PolarHBondContact O-N 3.41Å; S69-L73 VanDerWaalsContact O-CG 3.25Å; S69-L73 WeakPolarHBondContact O-CG 3.44Å; S69-L73 PolarHBondContact O-N 3.34Å; S69-F215 VanDerWaalsContact OG-CZ 3.3Å; S69-F215 WeakPolarHBondContact OG-CZ 3.47Å
70	E	92.3	Very high	92.7	Very high	75 Å²	75	61.1 Å²	61.1	35%	0.35	32%	0.318	S	S	.	.	H	α-helix	trans	-61.7	-42.1	172.8	-174.8	175.9	-115.5	0	0	111.8	Y66 L73 N74 F215	Y66-E70 HydrophobicContact CE1-CB 4.44Å; Y66-E70 VanDerWaalsContact O-CB 3.24Å; Y66-E70 WeakPolarHBondContact O-CB 3.28Å; Y66-E70 PolarHBondContact O-N 3.31Å; Y66-E70 PolarHBondContact OH-OE1 3.18Å; E70-L73 PolarHBondContact O-N 3.12Å; E70-N74 VanDerWaalsContact O-CB 3.3Å; E70-N74 WeakPolarHBondContact O-CB 3.13Å; E70-N74 PolarHBondContact O-N 3.06Å; E70-N74 PolarHBondContact O-ND2 2.9Å; E70-F215 HydrophobicContact CB-CE2 4.41Å
71	G	92.4	Very high	92.7	Very high	31 Å²	31	55.3 Å²	55.3	32%	0.32	29%	0.292	S	S	.	.	H	α-helix	trans	-57.4	-51.4	173.4	0	0	0	0	0	112.4	K67 E68 L73 N74 E75	K67-G71 PolarHBondContact O-N 3.13Å; E68-G71 PolarHBondContact O-N 3.24Å; G71-L73 PolarHBondContact O-N 3.28Å; G71-N74 PolarHBondContact O-N 3.32Å; G71-N74 VanDerWaalsContact O-N 3.15Å; G71-E75 PolarHBondContact O-N 2.93Å
72	A	90.7	Very high	92.6	Very high	23 Å²	23	56.5 Å²	56.5	19%	0.19	31%	0.308	C	S	.	.	H	α-helix	trans	-60	-42.1	179.1	0	0	0	0	0	112.8	E68 S69 H76	E68-A72 PolarHBondContact O-N 3.27Å; S69-A72 PolarHBondContact O-N 3.41Å; A72-H76 PolarHBondContact O-CD2 3.49Å; A72-H76 VanDerWaalsContact O-CD2 3.32Å
73	L	92.3	Very high	92.4	Very high	6 Å²	6	57.4 Å²	57.4	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-65.7	-40	176.2	-67.9	167.9	0	0	0	111.6	S69 E70 G71 E75 H76 M77 W100 F215 V219 L225	S69-L73 VanDerWaalsContact O-CG 3.25Å; S69-L73 WeakPolarHBondContact O-CG 3.44Å; S69-L73 PolarHBondContact O-N 3.34Å; E70-L73 PolarHBondContact O-N 3.12Å; G71-L73 PolarHBondContact O-N 3.28Å; L73-E75 PolarHBondContact O-N 3.1Å; L73-H76 PolarHBondContact O-N 2.86Å; L73-M77 PolarHBondContact O-N 2.98Å; L73-M77 VanDerWaalsContact O-N 3.08Å; L73-W100 HydrophobicContact CB-CH2 3.9Å; L73-W100 HydrophobicContact CB-CZ3 4.05Å; L73-W100 HydrophobicContact CD2-CD2 4.12Å; L73-W100 HydrophobicContact CD2-CE3 3.88Å; L73-W100 HydrophobicContact CD2-CH2 3.43Å; L73-W100 VanDerWaalsContact CD2-CH2 3.43Å; L73-W100 HydrophobicContact CD2-CZ2 3.66Å; L73-W100 HydrophobicContact CD2-CZ3 3.52Å; L73-W100 HydrophobicContact CG-CH2 4.21Å; L73-W100 HydrophobicContact CG-CZ3 4.4Å; L73-F215 HydrophobicContact CD1-CE2 4.31Å; L73-V219 HydrophobicContact CD1-CG2 4.14Å; L73-L225 HydrophobicContact CD2-CD1 3.83Å; L73-L225 HydrophobicContact CG-CD1 4.2Å
74	N	90.7	Very high	92.1	Very high	55 Å²	55	56.7 Å²	56.7	29%	0.294	31%	0.308	S	S	.	.	H	α-helix	trans	-69.5	-30.1	-178.8	-76.6	-27.2	0	0	0	113.3	E70 G71 M77 T78	E70-N74 VanDerWaalsContact O-CB 3.3Å; E70-N74 WeakPolarHBondContact O-CB 3.13Å; E70-N74 PolarHBondContact O-N 3.06Å; E70-N74 PolarHBondContact O-ND2 2.9Å; G71-N74 PolarHBondContact O-N 3.32Å; G71-N74 VanDerWaalsContact O-N 3.15Å; N74-M77 HydrophobicContact CB-CE 4.08Å; N74-M77 PolarHBondContact O-N 3.11Å; N74-M77 WeakPolarHBondContact OD1-CE 3.47Å; N74-T78 WeakPolarHBondContact O-CB 3.31Å; N74-T78 PolarHBondContact O-N 2.9Å; N74-T78 PolarHBondContact O-OG1 3.38Å
75	E	90.1	Very high	91.8	Very high	143 Å²	143	65.3 Å²	65.3	67%	0.668	35%	0.345	S	S	*	.	H	α-helix	trans	-62.5	-50	173.7	-74.7	177.7	-173.2	0	0	111.5	G71 L73 M77 T78 S79	G71-E75 PolarHBondContact O-N 2.93Å; L73-E75 PolarHBondContact O-N 3.1Å; E75-M77 VanDerWaalsContact C-N 3.31Å; E75-M77 PolarHBondContact O-N 3.45Å; E75-T78 PolarHBondContact O-N 3.33Å; E75-S79 WeakPolarHBondContact O-CB 3.4Å; E75-S79 PolarHBondContact O-N 3.34Å; E75-S79 VanDerWaalsContact O-N 3.07Å
76	H	86.9	Confident	91.6	Very high	75 Å²	75	64.3 Å²	64.3	35%	0.347	34%	0.339	S	S	.	.	H	α-helix	trans	-60.1	-41.9	175.3	-73.5	-65.6	0	0	0	112	A72 L73 L80 W100	A72-H76 PolarHBondContact O-CD2 3.49Å; A72-H76 VanDerWaalsContact O-CD2 3.32Å; L73-H76 PolarHBondContact O-N 2.86Å; H76-L80 WeakPolarHBondContact O-CB 3.36Å; H76-L80 PolarHBondContact O-N 3.07Å; H76-W100 HydrophobicContact CB-CE3 4.24Å; H76-W100 HydrophobicContact CB-CZ3 4.22Å
77	M	91	Very high	91.7	Very high	14 Å²	14	62.8 Å²	62.8	7%	0.069	34%	0.34	C	S	.	.	H	α-helix	trans	-60.5	-50.3	176.2	175.9	-157.3	59.2	0	0	112.1	L73 N74 E75 S79 L80 A81 H88 A91 K92 L95	L73-M77 PolarHBondContact O-N 2.98Å; L73-M77 VanDerWaalsContact O-N 3.08Å; N74-M77 HydrophobicContact CB-CE 4.08Å; N74-M77 PolarHBondContact O-N 3.11Å; N74-M77 WeakPolarHBondContact OD1-CE 3.47Å; E75-M77 VanDerWaalsContact C-N 3.31Å; E75-M77 PolarHBondContact O-N 3.45Å; M77-S79 VanDerWaalsContact C-N 3.32Å; M77-S79 PolarHBondContact O-N 3.22Å; M77-L80 PolarHBondContact O-N 2.94Å; M77-A81 VanDerWaalsContact O-CB 3.26Å; M77-A81 WeakPolarHBondContact O-CB 3.47Å; M77-A81 PolarHBondContact O-N 3.38Å; M77-H88 HydrophobicContact CE-CB 4.35Å; M77-H88 HydrophobicContact CG-CB 4.44Å; M77-H88 HydrophobicContact SD-CB 3.72Å; M77-A91 HydrophobicContact CG-CB 4.36Å; M77-K92 HydrophobicContact CG-CG 3.87Å; M77-K92 HydrophobicContact SD-CD 4.01Å; M77-K92 WeakPolarHBondContact SD-CE 3.43Å; M77-K92 HydrophobicContact SD-CG 3.74Å; M77-L95 HydrophobicContact CB-CD1 4.16Å
78	T	91.9	Very high	91.7	Very high	73 Å²	73	59.1 Å²	59.1	45%	0.448	33%	0.326	S	S	.	.	H	α-helix	trans	-63.9	-42.4	-175.4	-56	0	0	0	0	110.6	N74 E75 S82	N74-T78 WeakPolarHBondContact O-CB 3.31Å; N74-T78 PolarHBondContact O-N 2.9Å; N74-T78 PolarHBondContact O-OG1 3.38Å; E75-T78 PolarHBondContact O-N 3.33Å; T78-S82 PolarHBondContact O-N 3.33Å
79	S	90.6	Very high	91.5	Very high	75 Å²	75	54.7 Å²	54.7	52%	0.524	31%	0.306	S	S	.	.	H	α-helix	trans	-60	-50.1	175.1	-173.1	0	0	0	0	111.6	E75 M77 S82 V83	E75-S79 WeakPolarHBondContact O-CB 3.4Å; E75-S79 PolarHBondContact O-N 3.34Å; E75-S79 VanDerWaalsContact O-N 3.07Å; M77-S79 VanDerWaalsContact C-N 3.32Å; M77-S79 PolarHBondContact O-N 3.22Å; S79-S82 PolarHBondContact O-N 3.19Å; S79-V83 WeakPolarHBondContact O-CG2 3.36Å; S79-V83 PolarHBondContact O-N 3.44Å
80	L	92.9	Very high	91.5	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-67	-42.4	-178.8	-171.3	70.8	0	0	0	112.7	H76 M77 S82 V83 L84 I94 L95 I105 L106	H76-L80 WeakPolarHBondContact O-CB 3.36Å; H76-L80 PolarHBondContact O-N 3.07Å; M77-L80 PolarHBondContact O-N 2.94Å; L80-S82 VanDerWaalsContact C-N 3.27Å; L80-S82 PolarHBondContact O-N 2.7Å; L80-V83 PolarHBondContact O-N 3.14Å; L80-L84 HydrophobicContact CD1-CD1 3.76Å; L80-L84 HydrophobicContact CD1-CD2 4.42Å; L80-L84 HydrophobicContact CD1-CG 3.86Å; L80-L84 HydrophobicContact CD2-CD1 3.94Å; L80-L84 HydrophobicContact CG-CD1 3.62Å; L80-L84 HydrophobicContact CG-CG 3.97Å; L80-L84 WeakPolarHBondContact O-CB 3.45Å; L80-L84 WeakPolarHBondContact O-CG 3.32Å; L80-L84 PolarHBondContact O-N 3.47Å; L80-I94 HydrophobicContact CD2-CG2 4.41Å; L80-L95 HydrophobicContact CD2-CD1 4.11Å; L80-L95 HydrophobicContact CD2-CD2 3.72Å; L80-L95 HydrophobicContact CD2-CG 3.57Å; L80-I105 HydrophobicContact CD1-CG2 3.9Å; L80-I105 HydrophobicContact CD2-CD1 4.19Å; L80-I105 HydrophobicContact CD2-CG2 4.22Å; L80-L106 HydrophobicContact CD1-CD2 4.01Å
81	A	93.1	Very high	91.5	Very high	5 Å²	5	52 Å²	52	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-58.8	-40.6	179.5	0	0	0	0	0	111.7	M77 K85 V86 A91	M77-A81 VanDerWaalsContact O-CB 3.26Å; M77-A81 WeakPolarHBondContact O-CB 3.47Å; M77-A81 PolarHBondContact O-N 3.38Å; A81-K85 WeakPolarHBondContact O-CA 3.49Å; A81-K85 PolarHBondContact O-N 3.36Å; A81-V86 PolarHBondContact O-N 3.5Å; A81-A91 HydrophobicContact CB-CB 3.82Å
82	S	92	Very high	91.6	Very high	94 Å²	94	51.9 Å²	51.9	66%	0.657	29%	0.286	S	S	*	.	H	α-helix	trans	-64.7	-45.7	176.9	-169.5	0	0	0	0	112.2	T78 S79 L80 K85	T78-S82 PolarHBondContact O-N 3.33Å; S79-S82 PolarHBondContact O-N 3.19Å; L80-S82 VanDerWaalsContact C-N 3.27Å; L80-S82 PolarHBondContact O-N 2.7Å; S82-K85 PolarHBondContact O-N 3.17Å
83	V	91.9	Very high	91.7	Very high	77 Å²	77	51 Å²	51	47%	0.467	28%	0.278	S	S	.	.	H	α-helix	trans	-67.8	-44.7	-179.2	176.5	0	0	0	0	112	S79 L80 K85 L106	S79-V83 WeakPolarHBondContact O-CG2 3.36Å; S79-V83 PolarHBondContact O-N 3.44Å; L80-V83 PolarHBondContact O-N 3.14Å; V83-K85 VanDerWaalsContact C-N 3.31Å; V83-K85 PolarHBondContact O-N 3.5Å; V83-L106 HydrophobicContact CB-CD2 4.32Å; V83-L106 HydrophobicContact CG1-CD2 3.63Å
84	L	90.5	Very high	91.8	Very high	11 Å²	11	50.8 Å²	50.8	6%	0.058	28%	0.276	C	S	.	.	H	α-helix	trans	-80.1	-12.1	-178.3	-60.2	-173.4	0	0	0	113.3	L80 V86 I94 I105 F109	L80-L84 HydrophobicContact CD1-CD1 3.76Å; L80-L84 HydrophobicContact CD1-CD2 4.42Å; L80-L84 HydrophobicContact CD1-CG 3.86Å; L80-L84 HydrophobicContact CD2-CD1 3.94Å; L80-L84 HydrophobicContact CG-CD1 3.62Å; L80-L84 HydrophobicContact CG-CG 3.97Å; L80-L84 WeakPolarHBondContact O-CB 3.45Å; L80-L84 WeakPolarHBondContact O-CG 3.32Å; L80-L84 PolarHBondContact O-N 3.47Å; L84-V86 VanDerWaalsContact C-N 3.32Å; L84-V86 HydrophobicContact CB-CG1 4.24Å; L84-V86 HydrophobicContact CB-CG2 3.97Å; L84-V86 PolarHBondContact O-N 2.88Å; L84-I94 HydrophobicContact CD1-CD1 3.82Å; L84-I105 HydrophobicContact CD1-CG2 4.3Å; L84-F109 HydrophobicContact CD2-CB 3.82Å; L84-F109 HydrophobicContact CD2-CD1 3.57Å; L84-F109 HydrophobicContact CD2-CD2 3.36Å; L84-F109 HydrophobicContact CD2-CE1 3.85Å; L84-F109 HydrophobicContact CD2-CE2 3.64Å; L84-F109 HydrophobicContact CD2-CG 3.28Å; L84-F109 HydrophobicContact CD2-CZ 3.88Å
85	K	90.9	Very high	92	Very high	195 Å²	195	48.1 Å²	48.1	85%	0.848	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	44.2	-175	-56.6	-178.4	179.3	179.9	0	112.9	A81 S82 V83	A81-K85 WeakPolarHBondContact O-CA 3.49Å; A81-K85 PolarHBondContact O-N 3.36Å; S82-K85 PolarHBondContact O-N 3.17Å; V83-K85 VanDerWaalsContact C-N 3.31Å; V83-K85 PolarHBondContact O-N 3.5Å
86	V	90.9	Very high	92.2	Very high	39 Å²	39	42 Å²	42	24%	0.236	24%	0.235	C	C	.	.			trans	-117.4	165.7	177.6	-61.6	0	0	0	0	110.6	A81 L84 V90 A91	A81-V86 PolarHBondContact O-N 3.5Å; L84-V86 VanDerWaalsContact C-N 3.32Å; L84-V86 HydrophobicContact CB-CG1 4.24Å; L84-V86 HydrophobicContact CB-CG2 3.97Å; L84-V86 PolarHBondContact O-N 2.88Å; V86-V90 HydrophobicContact CB-CB 4.11Å; V86-V90 HydrophobicContact CB-CG1 3.74Å; V86-V90 HydrophobicContact CG1-CG1 4.09Å; V86-V90 HydrophobicContact CG2-CB 4.29Å; V86-V90 HydrophobicContact CG2-CG1 3.93Å; V86-A91 HydrophobicContact CG2-CB 4.04Å
87	S	92.3	Very high	92.5	Very high	51 Å²	51	40.6 Å²	40.6	36%	0.357	23%	0.23	S	C	.	.			trans	-66.3	154.6	172.9	75	0	0	0	0	111.1	S89 V90 A91	S87-S89 VanDerWaalsContact C-N 3.26Å; S87-S89 PolarHBondContact O-N 3Å; S87-V90 PolarHBondContact O-N 3.39Å; S87-V90 VanDerWaalsContact O-N 3.07Å; S87-V90 WeakPolarHBondContact OG-CG2 3.4Å; S87-V90 PolarHBondContact OG-N 2.89Å; S87-A91 PolarHBondContact O-N 3.48Å
88	H	92.6	Very high	92.7	Very high	94 Å²	94	40.7 Å²	40.7	44%	0.435	23%	0.23	S	C	.	.	H	α-helix	trans	-53.2	-43.7	176.3	-70.3	101.8	0	0	0	112.2	M77 V90 A91 K92	M77-H88 HydrophobicContact CE-CB 4.35Å; M77-H88 HydrophobicContact CG-CB 4.44Å; M77-H88 HydrophobicContact SD-CB 3.72Å; H88-V90 VanDerWaalsContact C-N 3.31Å; H88-V90 PolarHBondContact O-N 3.2Å; H88-A91 WeakPolarHBondContact O-CB 3.27Å; H88-A91 PolarHBondContact O-N 3.05Å; H88-K92 WeakPolarHBondContact O-CG 3.46Å; H88-K92 PolarHBondContact O-N 3.11Å
89	S	91.6	Very high	92.8	Very high	11 Å²	11	42.7 Å²	42.7	8%	0.077	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-37	178.5	-55.6	0	0	0	0	112.6	S87 L93 E194 D195	S87-S89 VanDerWaalsContact C-N 3.26Å; S87-S89 PolarHBondContact O-N 3Å; S89-L93 WeakPolarHBondContact O-CG 3.43Å; S89-L93 PolarHBondContact O-N 3.23Å; S89-E194 VanDerWaalsContact OG-CG 3.24Å; S89-E194 WeakPolarHBondContact OG-CG 3.37Å; S89-D195 VanDerWaalsContact CB-OD1 3.27Å; S89-D195 WeakPolarHBondContact CB-OD1 3.47Å; S89-D195 WeakPolarHBondContact OG-CB 3.18Å; S89-D195 PolarHBondContact OG-OD1 3.13Å
90	V	92.9	Very high	93	Very high	20 Å²	20	39.4 Å²	39.4	12%	0.121	21%	0.21	C	C	.	.	H	α-helix	trans	-70.3	-42.2	173.6	167.4	0	0	0	0	111.4	V86 S87 H88 K92 L93 I94 V122 P193	V86-V90 HydrophobicContact CB-CB 4.11Å; V86-V90 HydrophobicContact CB-CG1 3.74Å; V86-V90 HydrophobicContact CG1-CG1 4.09Å; V86-V90 HydrophobicContact CG2-CB 4.29Å; V86-V90 HydrophobicContact CG2-CG1 3.93Å; S87-V90 PolarHBondContact O-N 3.39Å; S87-V90 VanDerWaalsContact O-N 3.07Å; S87-V90 WeakPolarHBondContact OG-CG2 3.4Å; S87-V90 PolarHBondContact OG-N 2.89Å; H88-V90 VanDerWaalsContact C-N 3.31Å; H88-V90 PolarHBondContact O-N 3.2Å; V90-K92 VanDerWaalsContact C-N 3.29Å; V90-K92 PolarHBondContact O-N 3.39Å; V90-L93 WeakPolarHBondContact O-CB 3.38Å; V90-L93 PolarHBondContact O-N 3.02Å; V90-L93 VanDerWaalsContact O-N 3.16Å; V90-I94 HydrophobicContact CG1-CD1 3.98Å; V90-I94 WeakPolarHBondContact O-CG1 3.46Å; V90-I94 PolarHBondContact O-N 3.22Å; V90-I94 VanDerWaalsContact O-N 3.13Å; V90-V122 HydrophobicContact CB-CG1 4.09Å; V90-V122 HydrophobicContact CG1-CB 4.26Å; V90-V122 HydrophobicContact CG1-CG1 3.44Å; V90-V122 VanDerWaalsContact CG1-CG1 3.44Å; V90-V122 HydrophobicContact CG1-CG2 4.34Å; V90-V122 HydrophobicContact CG2-CG1 3.69Å; V90-P193 HydrophobicContact CG2-CG 4Å
91	A	94.3	Very high	93	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.3	-40.2	177.5	0	0	0	0	0	111.9	M77 A81 V86 S87 H88 L93 I94 L95	M77-A91 HydrophobicContact CG-CB 4.36Å; A81-A91 HydrophobicContact CB-CB 3.82Å; V86-A91 HydrophobicContact CG2-CB 4.04Å; S87-A91 PolarHBondContact O-N 3.48Å; H88-A91 WeakPolarHBondContact O-CB 3.27Å; H88-A91 PolarHBondContact O-N 3.05Å; A91-L93 PolarHBondContact O-N 3.4Å; A91-I94 PolarHBondContact O-N 3.42Å; A91-L95 WeakPolarHBondContact O-CG 3.33Å; A91-L95 PolarHBondContact O-N 3.36Å
92	K	93	Very high	92.9	Very high	28 Å²	28	43.7 Å²	43.7	12%	0.122	23%	0.231	C	C	.	.	H	α-helix	trans	-60.3	-43.6	174.3	-68.4	-174.8	-171.6	176	0	112.5	M77 H88 V90 I94 L95 V96 E194 Y218	M77-K92 HydrophobicContact CG-CG 3.87Å; M77-K92 HydrophobicContact SD-CD 4.01Å; M77-K92 WeakPolarHBondContact SD-CE 3.43Å; M77-K92 HydrophobicContact SD-CG 3.74Å; H88-K92 WeakPolarHBondContact O-CG 3.46Å; H88-K92 PolarHBondContact O-N 3.11Å; V90-K92 VanDerWaalsContact C-N 3.29Å; V90-K92 PolarHBondContact O-N 3.39Å; K92-I94 VanDerWaalsContact C-N 3.29Å; K92-I94 PolarHBondContact O-N 3.01Å; K92-L95 PolarHBondContact O-N 3.21Å; K92-V96 VanDerWaalsContact O-CG2 3.25Å; K92-V96 WeakPolarHBondContact O-CG2 3.29Å; K92-V96 PolarHBondContact O-N 2.84Å; K92-E194 WeakPolarHBondContact CE-OE1 3.24Å; K92-E194 IonicContact NZ-OE1 2.82Å; K92-E194 PolarHBondContact NZ-OE1 3.11Å; K92-E194 IonicContact NZ-OE2 2.73Å; K92-E194 PolarHBondContact NZ-OE2 3.37Å; K92-Y218 HydrophobicContact CB-CE1 4.18Å; K92-Y218 HydrophobicContact CD-CE1 4.28Å; K92-Y218 HydrophobicContact CD-CE2 3.82Å; K92-Y218 WeakPolarHBondContact CD-OH 3.33Å
93	L	93.6	Very high	92.9	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-59.1	-42.4	176.3	-65.3	-177.8	0	0	0	111.8	S89 V90 A91 N97 V122 V179 R191 P193	S89-L93 WeakPolarHBondContact O-CG 3.43Å; S89-L93 PolarHBondContact O-N 3.23Å; V90-L93 WeakPolarHBondContact O-CB 3.38Å; V90-L93 PolarHBondContact O-N 3.02Å; V90-L93 VanDerWaalsContact O-N 3.16Å; A91-L93 PolarHBondContact O-N 3.4Å; L93-N97 WeakPolarHBondContact O-CB 3.35Å; L93-N97 PolarHBondContact O-N 2.88Å; L93-N97 VanDerWaalsContact O-N 3.1Å; L93-V122 HydrophobicContact CB-CG2 3.85Å; L93-V122 HydrophobicContact CD1-CG2 3.98Å; L93-V179 HydrophobicContact CD2-CG1 3.52Å; L93-R191 HydrophobicContact CD1-CB 4.07Å; L93-R191 HydrophobicContact CD2-CB 4.35Å; L93-P193 HydrophobicContact CD1-CB 4.45Å; L93-P193 HydrophobicContact CD1-CG 4.01Å
94	I	94.4	Very high	92.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.7	-49.1	177.7	-60.8	166.8	0	0	0	110.1	L80 L84 V90 A91 K92 V96 N97 F98 I105 L117 A120 V122	L80-I94 HydrophobicContact CD2-CG2 4.41Å; L84-I94 HydrophobicContact CD1-CD1 3.82Å; V90-I94 HydrophobicContact CG1-CD1 3.98Å; V90-I94 WeakPolarHBondContact O-CG1 3.46Å; V90-I94 PolarHBondContact O-N 3.22Å; V90-I94 VanDerWaalsContact O-N 3.13Å; A91-I94 PolarHBondContact O-N 3.42Å; K92-I94 VanDerWaalsContact C-N 3.29Å; K92-I94 PolarHBondContact O-N 3.01Å; I94-V96 PolarHBondContact O-N 2.98Å; I94-N97 PolarHBondContact O-N 2.86Å; I94-F98 HydrophobicContact CG2-CD2 4.02Å; I94-F98 HydrophobicContact CG2-CE2 4.35Å; I94-F98 WeakPolarHBondContact O-CD2 3.33Å; I94-F98 PolarHBondContact O-N 3.22Å; I94-F98 VanDerWaalsContact O-N 3.12Å; I94-I105 HydrophobicContact CG2-CD1 4.29Å; I94-I105 HydrophobicContact CG2-CG1 4.47Å; I94-I105 HydrophobicContact CG2-CG2 3.8Å; I94-L117 HydrophobicContact CD1-CD2 3.75Å; I94-A120 HydrophobicContact CB-CB 4.3Å; I94-A120 HydrophobicContact CG1-CB 3.75Å; I94-A120 HydrophobicContact CG2-CB 4.46Å; I94-V122 HydrophobicContact CG1-CG2 4.23Å
95	L	94.9	Very high	93.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-56.8	-48.3	179.3	-76.8	162.9	0	0	0	112	M77 L80 A91 K92 N97 F98 H99 W100 V102 I105	M77-L95 HydrophobicContact CB-CD1 4.16Å; L80-L95 HydrophobicContact CD2-CD1 4.11Å; L80-L95 HydrophobicContact CD2-CD2 3.72Å; L80-L95 HydrophobicContact CD2-CG 3.57Å; A91-L95 WeakPolarHBondContact O-CG 3.33Å; A91-L95 PolarHBondContact O-N 3.36Å; K92-L95 PolarHBondContact O-N 3.21Å; L95-N97 VanDerWaalsContact C-N 3.32Å; L95-N97 PolarHBondContact O-N 3.41Å; L95-F98 CarbonylContact O-C 3.55Å; L95-F98 PolarHBondContact O-N 3.38Å; L95-H99 PolarHBondContact O-N 3.48Å; L95-H99 VanDerWaalsContact O-N 3.1Å; L95-W100 HydrophobicContact CB-CD2 3.95Å; L95-W100 HydrophobicContact CB-CE3 4.03Å; L95-W100 HydrophobicContact CB-CG 4.46Å; L95-W100 HydrophobicContact CB-CH2 4.35Å; L95-W100 HydrophobicContact CB-CZ2 4.29Å; L95-W100 HydrophobicContact CB-CZ3 4.25Å; L95-W100 HydrophobicContact CD1-CE3 4.04Å; L95-W100 HydrophobicContact CD1-CH2 4.19Å; L95-W100 HydrophobicContact CD1-CZ3 3.73Å; L95-W100 HydrophobicContact CD2-CD2 4.47Å; L95-W100 HydrophobicContact CD2-CE3 4.05Å; L95-W100 HydrophobicContact CG-CE3 4.26Å; L95-W100 HydrophobicContact CG-CZ3 4.39Å; L95-W100 PolarHBondContact O-N 3.2Å; L95-V102 HydrophobicContact CD2-CG2 4.06Å; L95-I105 HydrophobicContact CD2-CD1 3.9Å
96	V	94.8	Very high	93.1	Very high	15 Å²	15	35.8 Å²	35.8	9%	0.091	19%	0.192	C	C	.	.	H	α-helix	trans	-60.6	-42.1	178.1	171.8	0	0	0	0	111.4	K92 I94 F98 H99 W100 V179 Y218	K92-V96 VanDerWaalsContact O-CG2 3.25Å; K92-V96 WeakPolarHBondContact O-CG2 3.29Å; K92-V96 PolarHBondContact O-N 2.84Å; I94-V96 PolarHBondContact O-N 2.98Å; V96-F98 VanDerWaalsContact C-N 3.29Å; V96-F98 PolarHBondContact O-N 3.17Å; V96-H99 PolarHBondContact O-N 3.44Å; V96-W100 HydrophobicContact CG2-CZ2 4.29Å; V96-V179 HydrophobicContact CB-CG1 4.31Å; V96-V179 HydrophobicContact CG1-CB 4.49Å; V96-V179 HydrophobicContact CG1-CG1 3.97Å; V96-V179 HydrophobicContact CG2-CG1 4.45Å; V96-V179 HydrophobicContact CG2-CG2 4.34Å; V96-Y218 HydrophobicContact CG2-CD1 3.47Å; V96-Y218 VanDerWaalsContact CG2-CD1 3.47Å; V96-Y218 HydrophobicContact CG2-CE1 3.89Å
97	N	93.5	Very high	93.2	Very high	45 Å²	45	38 Å²	38	24%	0.241	20%	0.203	C	C	.	.	H	α-helix	trans	-65.9	-31.2	-178.8	-170.4	80.8	0	0	0	113.1	L93 I94 L95 E119	L93-N97 WeakPolarHBondContact O-CB 3.35Å; L93-N97 PolarHBondContact O-N 2.88Å; L93-N97 VanDerWaalsContact O-N 3.1Å; I94-N97 PolarHBondContact O-N 2.86Å; L95-N97 VanDerWaalsContact C-N 3.32Å; L95-N97 PolarHBondContact O-N 3.41Å; N97-E119 PolarHBondContact ND2-O 3.4Å
98	F	94.3	Very high	93.1	Very high	16 Å²	16	40.2 Å²	40.2	7%	0.07	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	24.9	179.8	-68.4	-79	0	0	0	112.7	I94 L95 V96 W100 Q101 I105 L116 E119 A120	I94-F98 HydrophobicContact CG2-CD2 4.02Å; I94-F98 HydrophobicContact CG2-CE2 4.35Å; I94-F98 WeakPolarHBondContact O-CD2 3.33Å; I94-F98 PolarHBondContact O-N 3.22Å; I94-F98 VanDerWaalsContact O-N 3.12Å; L95-F98 CarbonylContact O-C 3.55Å; L95-F98 PolarHBondContact O-N 3.38Å; V96-F98 VanDerWaalsContact C-N 3.29Å; V96-F98 PolarHBondContact O-N 3.17Å; F98-W100 PolarHBondContact O-N 2.93Å; F98-Q101 WeakPolarHBondContact O-CB 3.41Å; F98-Q101 PolarHBondContact O-N 3.16Å; F98-I105 HydrophobicContact CB-CD1 3.87Å; F98-I105 HydrophobicContact CB-CG1 3.6Å; F98-I105 HydrophobicContact CD2-CG1 4.04Å; F98-I105 HydrophobicContact CG-CG1 3.92Å; F98-L116 HydrophobicContact CD2-CD1 4.27Å; F98-L116 HydrophobicContact CE1-CD1 4.45Å; F98-L116 HydrophobicContact CE2-CD1 3.48Å; F98-L116 VanDerWaalsContact CE2-CD1 3.48Å; F98-L116 HydrophobicContact CE2-CG 4.38Å; F98-L116 HydrophobicContact CZ-CD1 3.6Å; F98-E119 HydrophobicContact CZ-CB 4.16Å; F98-A120 HydrophobicContact CE2-CB 4.19Å
99	H	94.1	Very high	93	Very high	115 Å²	115	38.5 Å²	38.5	53%	0.532	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	35.4	175.3	-59.4	-69	0	0	0	114.5	L95 V96 Q101 S221 Y223	L95-H99 PolarHBondContact O-N 3.48Å; L95-H99 VanDerWaalsContact O-N 3.1Å; V96-H99 PolarHBondContact O-N 3.44Å; H99-Q101 PolarHBondContact O-N 3.24Å; H99-S221 CarbonylContact C-O 3.59Å; H99-S221 VanDerWaalsContact CA-O 3.25Å; H99-S221 WeakPolarHBondContact CA-O 3.34Å; H99-S221 WeakPolarHBondContact CB-O 3.46Å; H99-S221 PolarHBondContact ND1-O 3.39Å; H99-Y223 VanDerWaalsContact O-CD1 3.31Å; H99-Y223 WeakPolarHBondContact O-CD1 3.32Å
100	W	94.6	Very high	92.9	Very high	5 Å²	5	45.4 Å²	45.4	2%	0.019	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	20.5	179.1	-57.9	74.4	0	0	0	114.8	L73 H76 L95 V96 F98 V102 Y218 S221 H222 Y223	L73-W100 HydrophobicContact CB-CH2 3.9Å; L73-W100 HydrophobicContact CB-CZ3 4.05Å; L73-W100 HydrophobicContact CD2-CD2 4.12Å; L73-W100 HydrophobicContact CD2-CE3 3.88Å; L73-W100 HydrophobicContact CD2-CH2 3.43Å; L73-W100 VanDerWaalsContact CD2-CH2 3.43Å; L73-W100 HydrophobicContact CD2-CZ2 3.66Å; L73-W100 HydrophobicContact CD2-CZ3 3.52Å; L73-W100 HydrophobicContact CG-CH2 4.21Å; L73-W100 HydrophobicContact CG-CZ3 4.4Å; H76-W100 HydrophobicContact CB-CE3 4.24Å; H76-W100 HydrophobicContact CB-CZ3 4.22Å; L95-W100 HydrophobicContact CB-CD2 3.95Å; L95-W100 HydrophobicContact CB-CE3 4.03Å; L95-W100 HydrophobicContact CB-CG 4.46Å; L95-W100 HydrophobicContact CB-CH2 4.35Å; L95-W100 HydrophobicContact CB-CZ2 4.29Å; L95-W100 HydrophobicContact CB-CZ3 4.25Å; L95-W100 HydrophobicContact CD1-CE3 4.04Å; L95-W100 HydrophobicContact CD1-CH2 4.19Å; L95-W100 HydrophobicContact CD1-CZ3 3.73Å; L95-W100 HydrophobicContact CD2-CD2 4.47Å; L95-W100 HydrophobicContact CD2-CE3 4.05Å; L95-W100 HydrophobicContact CG-CE3 4.26Å; L95-W100 HydrophobicContact CG-CZ3 4.39Å; L95-W100 PolarHBondContact O-N 3.2Å; V96-W100 HydrophobicContact CG2-CZ2 4.29Å; F98-W100 PolarHBondContact O-N 2.93Å; W100-V102 VanDerWaalsContact C-N 3.35Å; W100-V102 PolarHBondContact O-N 2.99Å; W100-Y218 HydrophobicContact CZ2-CD1 4.3Å; W100-Y218 HydrophobicContact CZ2-CG 4.21Å; W100-Y218 PolarHBondContact NE1-O 2.97Å; W100-Y218 VanDerWaalsContact NE1-O 3.16Å; W100-S221 PolarHBondContact NE1-OG 3.16Å; W100-H222 VanDerWaalsContact CD1-CA 3.41Å; W100-H222 AromaticContact CD1-CD2 3.99Å; W100-H222 HydrophobicContact CD2-CB 4.47Å; W100-H222 AromaticContact CD2-CD2 3.48Å; W100-H222 VanDerWaalsContact CD2-CD2 3.48Å; W100-H222 AromaticContact CE3-CD2 3.74Å; W100-H222 HydrophobicContact CG-CB 4.01Å; W100-H222 AromaticContact CG-CD2 3.39Å; W100-H222 AromaticContact CG-CG 3.88Å; W100-Y223 HydrophobicContact CB-CD1 4.3Å; W100-Y223 HydrophobicContact CB-CE1 4.44Å
101	Q	92.8	Very high	92.8	Very high	66 Å²	66	49.5 Å²	49.5	31%	0.308	25%	0.252	S	S	.	.			trans	-79.2	78.9	174	-65	-64.5	-22.3	0	0	110.9	F98 H99 S103 E104 I105 Y223	F98-Q101 WeakPolarHBondContact O-CB 3.41Å; F98-Q101 PolarHBondContact O-N 3.16Å; H99-Q101 PolarHBondContact O-N 3.24Å; Q101-S103 VanDerWaalsContact C-N 3.3Å; Q101-S103 PolarHBondContact O-N 3.45Å; Q101-E104 HydrophobicContact CB-CB 4.05Å; Q101-E104 PolarHBondContact O-N 2.96Å; Q101-E104 VanDerWaalsContact O-N 3.14Å; Q101-I105 WeakPolarHBondContact O-CG1 3.39Å; Q101-I105 PolarHBondContact O-N 2.92Å; Q101-I105 VanDerWaalsContact O-N 3.16Å; Q101-Y223 VanDerWaalsContact NE2-CD2 3.3Å
102	V	91.9	Very high	92.6	Very high	31 Å²	31	52.8 Å²	52.8	19%	0.188	27%	0.27	C	S	.	.	H	α-helix	trans	-55.1	-42.3	-174.5	180	0	0	0	0	112.6	L95 W100 E104 I105 L106	L95-V102 HydrophobicContact CD2-CG2 4.06Å; W100-V102 VanDerWaalsContact C-N 3.35Å; W100-V102 PolarHBondContact O-N 2.99Å; V102-E104 PolarHBondContact O-N 3.48Å; V102-I105 PolarHBondContact O-N 3.06Å; V102-L106 HydrophobicContact CG1-CD1 4Å; V102-L106 HydrophobicContact CG1-CG 4.23Å; V102-L106 WeakPolarHBondContact O-CG 3.44Å; V102-L106 PolarHBondContact O-N 3.49Å
103	S	91.5	Very high	92.4	Very high	85 Å²	85	54 Å²	54	59%	0.594	28%	0.282	S	S	*	.	H	α-helix	trans	-59.7	-44.5	179.3	-53.1	0	0	0	0	112.3	Q101 I105 L106 D107	Q101-S103 VanDerWaalsContact C-N 3.3Å; Q101-S103 PolarHBondContact O-N 3.45Å; S103-I105 PolarHBondContact O-N 3.19Å; S103-L106 PolarHBondContact O-N 2.91Å; S103-D107 PolarHBondContact O-N 3.33Å
104	E	92.7	Very high	92	Very high	78 Å²	78	56.3 Å²	56.3	36%	0.364	30%	0.302	S	S	.	.	H	α-helix	trans	-63	-42.9	177.5	-174.2	-176.6	167.6	0	0	111.4	Q101 V102 L106 D107 R108	Q101-E104 HydrophobicContact CB-CB 4.05Å; Q101-E104 PolarHBondContact O-N 2.96Å; Q101-E104 VanDerWaalsContact O-N 3.14Å; V102-E104 PolarHBondContact O-N 3.48Å; E104-L106 VanDerWaalsContact C-N 3.34Å; E104-L106 PolarHBondContact O-N 3.5Å; E104-D107 PolarHBondContact O-N 3.46Å; E104-R108 WeakPolarHBondContact O-CB 3.42Å; E104-R108 WeakPolarHBondContact O-CG 3.48Å; E104-R108 PolarHBondContact O-N 2.95Å; E104-R108 IonicContact OE1-CZ 2.94Å; E104-R108 IonicContact OE1-NE 3.52Å; E104-R108 PolarHBondContact OE1-NE 3.42Å; E104-R108 IonicContact OE1-NH2 3.21Å; E104-R108 PolarHBondContact OE1-NH2 3.02Å
105	I	93.1	Very high	91.8	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.6	-45.5	178.3	-62	165.8	0	0	0	110.3	L80 L84 I94 L95 F98 Q101 V102 S103 R108 F109 L116	L80-I105 HydrophobicContact CD1-CG2 3.9Å; L80-I105 HydrophobicContact CD2-CD1 4.19Å; L80-I105 HydrophobicContact CD2-CG2 4.22Å; L84-I105 HydrophobicContact CD1-CG2 4.3Å; I94-I105 HydrophobicContact CG2-CD1 4.29Å; I94-I105 HydrophobicContact CG2-CG1 4.47Å; I94-I105 HydrophobicContact CG2-CG2 3.8Å; L95-I105 HydrophobicContact CD2-CD1 3.9Å; F98-I105 HydrophobicContact CB-CD1 3.87Å; F98-I105 HydrophobicContact CB-CG1 3.6Å; F98-I105 HydrophobicContact CD2-CG1 4.04Å; F98-I105 HydrophobicContact CG-CG1 3.92Å; Q101-I105 WeakPolarHBondContact O-CG1 3.39Å; Q101-I105 PolarHBondContact O-N 2.92Å; Q101-I105 VanDerWaalsContact O-N 3.16Å; V102-I105 PolarHBondContact O-N 3.06Å; S103-I105 PolarHBondContact O-N 3.19Å; I105-R108 PolarHBondContact O-N 2.96Å; I105-F109 WeakPolarHBondContact O-CB 3.39Å; I105-F109 PolarHBondContact O-N 3.27Å; I105-L116 HydrophobicContact CG2-CD1 4.4Å; I105-L116 HydrophobicContact CG2-CD2 4.08Å
106	L	92.1	Very high	91.6	Very high	48 Å²	48	61.3 Å²	61.3	25%	0.251	33%	0.325	S	S	.	.	H	α-helix	trans	-65.7	-39.8	-179	-68.9	179	0	0	0	112.3	L80 V83 V102 S103 E104 F109 K110	L80-L106 HydrophobicContact CD1-CD2 4.01Å; V83-L106 HydrophobicContact CB-CD2 4.32Å; V83-L106 HydrophobicContact CG1-CD2 3.63Å; V102-L106 HydrophobicContact CG1-CD1 4Å; V102-L106 HydrophobicContact CG1-CG 4.23Å; V102-L106 WeakPolarHBondContact O-CG 3.44Å; V102-L106 PolarHBondContact O-N 3.49Å; S103-L106 PolarHBondContact O-N 2.91Å; E104-L106 VanDerWaalsContact C-N 3.34Å; E104-L106 PolarHBondContact O-N 3.5Å; L106-F109 PolarHBondContact O-N 2.88Å; L106-K110 WeakPolarHBondContact O-CG 3.34Å; L106-K110 PolarHBondContact O-N 3.29Å
107	D	91.6	Very high	91.4	Very high	86 Å²	86	61.6 Å²	61.6	46%	0.46	33%	0.326	S	S	.	.	H	α-helix	trans	-71.4	-38.2	179.3	-70.9	-20.3	0	0	0	112.3	S103 E104 K110 S111	S103-D107 PolarHBondContact O-N 3.33Å; E104-D107 PolarHBondContact O-N 3.46Å; D107-K110 PolarHBondContact O-N 3.35Å; D107-K110 IonicContact OD1-NZ 3.5Å; D107-K110 PolarHBondContact OD1-NZ 3.31Å; D107-S111 PolarHBondContact O-N 3.27Å; D107-S111 PolarHBondContact O-OG 3.45Å
108	R	91.9	Very high	91.3	Very high	96 Å²	96	61.5 Å²	61.5	36%	0.362	33%	0.327	S	S	.	.	H	α-helix	trans	-63.9	-40.2	170.2	-72.6	-178.5	-175.6	-114	-0.6	111.8	E104 I105 K110 S111 N112 L116 E119	E104-R108 WeakPolarHBondContact O-CB 3.42Å; E104-R108 WeakPolarHBondContact O-CG 3.48Å; E104-R108 PolarHBondContact O-N 2.95Å; E104-R108 IonicContact OE1-CZ 2.94Å; E104-R108 IonicContact OE1-NE 3.52Å; E104-R108 PolarHBondContact OE1-NE 3.42Å; E104-R108 IonicContact OE1-NH2 3.21Å; E104-R108 PolarHBondContact OE1-NH2 3.02Å; I105-R108 PolarHBondContact O-N 2.96Å; R108-K110 PolarHBondContact O-N 3.04Å; R108-S111 PolarHBondContact O-N 3.16Å; R108-S111 VanDerWaalsContact O-N 3.17Å; R108-N112 PolarHBondContact O-N 3.18Å; R108-L116 HydrophobicContact CB-CD1 3.82Å; R108-E119 IonicContact NH1-OE2 3.66Å; R108-E119 PolarHBondContact NH1-OE2 3.41Å
109	F	90.4	Very high	91.1	Very high	58 Å²	58	63.9 Å²	63.9	25%	0.254	34%	0.338	S	S	.	.	H	α-helix	trans	-62.7	-42.5	178	-175.5	-109.3	0	0	0	112.7	L84 I105 L106 S111 S113 L116	L84-F109 HydrophobicContact CD2-CB 3.82Å; L84-F109 HydrophobicContact CD2-CD1 3.57Å; L84-F109 HydrophobicContact CD2-CD2 3.36Å; L84-F109 HydrophobicContact CD2-CE1 3.85Å; L84-F109 HydrophobicContact CD2-CE2 3.64Å; L84-F109 HydrophobicContact CD2-CG 3.28Å; L84-F109 HydrophobicContact CD2-CZ 3.88Å; I105-F109 WeakPolarHBondContact O-CB 3.39Å; I105-F109 PolarHBondContact O-N 3.27Å; L106-F109 PolarHBondContact O-N 2.88Å; F109-S111 PolarHBondContact O-N 3.02Å; F109-S113 VanDerWaalsContact CD2-CB 3.48Å; F109-S113 PolarHBondContact O-N 3.17Å; F109-L116 HydrophobicContact CB-CD2 3.88Å; F109-L116 HydrophobicContact CD2-CD2 3.89Å; F109-L116 HydrophobicContact CG-CD2 4.37Å
110	K	89.3	Confident	90.9	Very high	157 Å²	157	58.4 Å²	58.4	68%	0.683	31%	0.313	S	S	*	.	H	α-helix	trans	-61.4	-35	174.6	-69.3	167.5	-163.7	158.2	0	112	L106 D107 R108	L106-K110 WeakPolarHBondContact O-CG 3.34Å; L106-K110 PolarHBondContact O-N 3.29Å; D107-K110 PolarHBondContact O-N 3.35Å; D107-K110 IonicContact OD1-NZ 3.5Å; D107-K110 PolarHBondContact OD1-NZ 3.31Å; R108-K110 PolarHBondContact O-N 3.04Å
111	S	90.6	Very high	90.7	Very high	105 Å²	105	63.5 Å²	63.5	73%	0.734	33%	0.332	S	S	*	.	H	α-helix	trans	-78	-51.8	-177.6	-56.4	0	0	0	0	112.2	D107 R108 F109	D107-S111 PolarHBondContact O-N 3.27Å; D107-S111 PolarHBondContact O-OG 3.45Å; R108-S111 PolarHBondContact O-N 3.16Å; R108-S111 VanDerWaalsContact O-N 3.17Å; F109-S111 PolarHBondContact O-N 3.02Å
112	N	90.1	Very high	90.6	Very high	70 Å²	70	61 Å²	61	37%	0.374	32%	0.321	S	S	.	.			trans	-157.5	96	178.8	-171.5	-19	0	0	0	111.4	R108 A114 Q115 L116	R108-N112 PolarHBondContact O-N 3.18Å; N112-A114 PolarHBondContact O-N 3.2Å; N112-A114 PolarHBondContact OD1-N 3.39Å; N112-Q115 HydrophobicContact CB-CB 3.96Å; N112-Q115 VanDerWaalsContact CG-CB 3.42Å; N112-Q115 WeakPolarHBondContact ND2-CB 3.39Å; N112-Q115 PolarHBondContact ND2-OE1 3.39Å; N112-Q115 PolarHBondContact O-N 2.92Å; N112-Q115 PolarHBondContact OD1-N 2.93Å; N112-L116 PolarHBondContact O-N 2.89Å; N112-L116 VanDerWaalsContact O-N 3.14Å
113	S	87.8	Confident	90.3	Very high	54 Å²	54	63.6 Å²	63.6	38%	0.378	33%	0.332	S	S	.	.	H	α-helix	trans	-63.3	-37.7	-179.1	58.6	0	0	0	0	113.7	F109 L116 L117	F109-S113 VanDerWaalsContact CD2-CB 3.48Å; F109-S113 PolarHBondContact O-N 3.17Å; S113-L116 PolarHBondContact O-N 2.88Å; S113-L117 WeakPolarHBondContact O-CG 3.35Å; S113-L117 PolarHBondContact O-N 3.47Å
114	A	86.9	Confident	89.8	Confident	53 Å²	53	61.4 Å²	61.4	44%	0.438	32%	0.315	S	S	.	.	H	α-helix	trans	-67.6	-42.6	179.9	0	0	0	0	0	111.5	N112 L117 V118	N112-A114 PolarHBondContact O-N 3.2Å; N112-A114 PolarHBondContact OD1-N 3.39Å; A114-L117 PolarHBondContact O-N 3.29Å; A114-V118 WeakPolarHBondContact O-CG2 3.4Å; A114-V118 PolarHBondContact O-N 2.87Å; A114-V118 VanDerWaalsContact O-N 3.11Å
115	Q	88.8	Confident	88.9	Confident	103 Å²	103	61 Å²	61	48%	0.481	32%	0.316	S	S	.	.	H	α-helix	trans	-63.9	-42.2	176.9	-178.9	175.4	-6.4	0	0	111.8	N112 L117 V118 E119	N112-Q115 HydrophobicContact CB-CB 3.96Å; N112-Q115 VanDerWaalsContact CG-CB 3.42Å; N112-Q115 WeakPolarHBondContact ND2-CB 3.39Å; N112-Q115 PolarHBondContact ND2-OE1 3.39Å; N112-Q115 PolarHBondContact O-N 2.92Å; N112-Q115 PolarHBondContact OD1-N 2.93Å; Q115-L117 VanDerWaalsContact C-N 3.32Å; Q115-L117 PolarHBondContact O-N 3.06Å; Q115-V118 PolarHBondContact O-N 2.99Å; Q115-E119 HydrophobicContact CG-CG 4.32Å; Q115-E119 WeakPolarHBondContact CG-OE1 3.44Å; Q115-E119 PolarHBondContact NE2-OE1 3.44Å; Q115-E119 WeakPolarHBondContact O-CB 3.49Å; Q115-E119 WeakPolarHBondContact O-CG 3.36Å; Q115-E119 PolarHBondContact O-N 3.09Å
116	L	91.2	Very high	87.6	Confident	2 Å²	2	66 Å²	66	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-55.4	-46.7	174.9	179.4	79	0	0	0	111.7	F98 I105 R108 F109 N112 S113 V118 E119 A120	F98-L116 HydrophobicContact CD2-CD1 4.27Å; F98-L116 HydrophobicContact CE1-CD1 4.45Å; F98-L116 HydrophobicContact CE2-CD1 3.48Å; F98-L116 VanDerWaalsContact CE2-CD1 3.48Å; F98-L116 HydrophobicContact CE2-CG 4.38Å; F98-L116 HydrophobicContact CZ-CD1 3.6Å; I105-L116 HydrophobicContact CG2-CD1 4.4Å; I105-L116 HydrophobicContact CG2-CD2 4.08Å; R108-L116 HydrophobicContact CB-CD1 3.82Å; F109-L116 HydrophobicContact CB-CD2 3.88Å; F109-L116 HydrophobicContact CD2-CD2 3.89Å; F109-L116 HydrophobicContact CG-CD2 4.37Å; N112-L116 PolarHBondContact O-N 2.89Å; N112-L116 VanDerWaalsContact O-N 3.14Å; S113-L116 PolarHBondContact O-N 2.88Å; L116-V118 VanDerWaalsContact C-N 3.32Å; L116-V118 PolarHBondContact O-N 3.42Å; L116-E119 PolarHBondContact O-N 3.35Å; L116-A120 VanDerWaalsContact O-CB 3.29Å; L116-A120 WeakPolarHBondContact O-CB 3.15Å; L116-A120 PolarHBondContact O-N 3.18Å
117	L	90.6	Very high	86	Confident	21 Å²	21	68.9 Å²	68.9	11%	0.11	37%	0.372	C	S	.	.	H	α-helix	trans	-68.2	-31.4	-178.5	-66.4	174.4	0	0	0	112.8	I94 S113 A114 Q115 R121 V122 Q123	I94-L117 HydrophobicContact CD1-CD2 3.75Å; S113-L117 WeakPolarHBondContact O-CG 3.35Å; S113-L117 PolarHBondContact O-N 3.47Å; A114-L117 PolarHBondContact O-N 3.29Å; Q115-L117 VanDerWaalsContact C-N 3.32Å; Q115-L117 PolarHBondContact O-N 3.06Å; L117-R121 PolarHBondContact O-N 3.11Å; L117-V122 PolarHBondContact O-N 3.47Å; L117-Q123 HydrophobicContact CB-CB 3.99Å; L117-Q123 HydrophobicContact CB-CG 3.94Å; L117-Q123 HydrophobicContact CD1-CG 4.22Å; L117-Q123 PolarHBondContact O-N 3.26Å
118	V	90.6	Very high	84.3	Confident	42 Å²	42	72.9 Å²	72.9	26%	0.255	39%	0.386	S	S	.	.	H	α-helix	trans	-71.6	-44.6	172.8	173.8	0	0	0	0	111.1	A114 Q115 L116 A120 R121 N125	A114-V118 WeakPolarHBondContact O-CG2 3.4Å; A114-V118 PolarHBondContact O-N 2.87Å; A114-V118 VanDerWaalsContact O-N 3.11Å; Q115-V118 PolarHBondContact O-N 2.99Å; L116-V118 VanDerWaalsContact C-N 3.32Å; L116-V118 PolarHBondContact O-N 3.42Å; V118-A120 VanDerWaalsContact C-N 3.34Å; V118-A120 PolarHBondContact O-N 3.41Å; V118-R121 WeakPolarHBondContact O-CA 3.35Å; V118-R121 PolarHBondContact O-N 3.29Å; V118-N125 HydrophobicContact CG1-CB 4.09Å
119	E	90.4	Very high	82.4	Confident	66 Å²	66	72.9 Å²	72.9	31%	0.308	39%	0.39	S	S	.	.	H	α-helix	trans	-62.1	-40.7	176.4	-75.2	176.9	-169.5	0	0	111.8	N97 F98 R108 Q115 L116 R121	N97-E119 PolarHBondContact ND2-O 3.4Å; F98-E119 HydrophobicContact CZ-CB 4.16Å; R108-E119 IonicContact NH1-OE2 3.66Å; R108-E119 PolarHBondContact NH1-OE2 3.41Å; Q115-E119 HydrophobicContact CG-CG 4.32Å; Q115-E119 WeakPolarHBondContact CG-OE1 3.44Å; Q115-E119 PolarHBondContact NE2-OE1 3.44Å; Q115-E119 WeakPolarHBondContact O-CB 3.49Å; Q115-E119 WeakPolarHBondContact O-CG 3.36Å; Q115-E119 PolarHBondContact O-N 3.09Å; L116-E119 PolarHBondContact O-N 3.35Å; E119-R121 PolarHBondContact O-N 3.1Å
120	A	89.9	Confident	80.5	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-4.4	173.2	0	0	0	0	0	113.8	I94 F98 L116 V118 V122	I94-A120 HydrophobicContact CB-CB 4.3Å; I94-A120 HydrophobicContact CG1-CB 3.75Å; I94-A120 HydrophobicContact CG2-CB 4.46Å; F98-A120 HydrophobicContact CE2-CB 4.19Å; L116-A120 VanDerWaalsContact O-CB 3.29Å; L116-A120 WeakPolarHBondContact O-CB 3.15Å; L116-A120 PolarHBondContact O-N 3.18Å; V118-A120 VanDerWaalsContact C-N 3.34Å; V118-A120 PolarHBondContact O-N 3.41Å; A120-V122 VanDerWaalsContact C-N 3.29Å; A120-V122 HydrophobicContact CB-CG2 4.04Å; A120-V122 WeakPolarHBondContact O-CG2 3.45Å; A120-V122 PolarHBondContact O-N 3.36Å
121	R	91.4	Very high	78.7	Confident	112 Å²	112	73.1 Å²	73.1	42%	0.423	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	36.3	-179.4	-52.1	177.3	-178.3	-158.4	3.3	113.4	L117 V118 E119 P189 L190 R191	L117-R121 PolarHBondContact O-N 3.11Å; V118-R121 WeakPolarHBondContact O-CA 3.35Å; V118-R121 PolarHBondContact O-N 3.29Å; E119-R121 PolarHBondContact O-N 3.1Å; R121-P189 WeakPolarHBondContact CB-O 3.3Å; R121-P189 WeakPolarHBondContact CD-O 3.4Å; R121-P189 HydrophobicContact CG-CB 4.48Å; R121-L190 WeakPolarHBondContact O-CA 3.4Å; R121-L190 VanDerWaalsContact O-CD1 3.31Å; R121-L190 WeakPolarHBondContact O-CD1 3.44Å; R121-R191 HydrophobicContact CB-CG 4.19Å; R121-R191 PolarHBondContact O-N 3.28Å
122	V	89.1	Confident	76.9	Confident	13 Å²	13	72 Å²	72	8%	0.079	40%	0.399	C	S	.	.	S	Bend	trans	-110.6	-15.3	177.2	-166.3	0	0	0	0	112.6	V90 L93 I94 L117 A120 L190	V90-V122 HydrophobicContact CB-CG1 4.09Å; V90-V122 HydrophobicContact CG1-CB 4.26Å; V90-V122 HydrophobicContact CG1-CG1 3.44Å; V90-V122 VanDerWaalsContact CG1-CG1 3.44Å; V90-V122 HydrophobicContact CG1-CG2 4.34Å; V90-V122 HydrophobicContact CG2-CG1 3.69Å; L93-V122 HydrophobicContact CB-CG2 3.85Å; L93-V122 HydrophobicContact CD1-CG2 3.98Å; I94-V122 HydrophobicContact CG1-CG2 4.23Å; L117-V122 PolarHBondContact O-N 3.47Å; A120-V122 VanDerWaalsContact C-N 3.29Å; A120-V122 HydrophobicContact CB-CG2 4.04Å; A120-V122 WeakPolarHBondContact O-CG2 3.45Å; A120-V122 PolarHBondContact O-N 3.36Å; V122-L190 WeakPolarHBondContact O-CD1 3.06Å
123	Q	87	Confident	75	Confident	87 Å²	87	74 Å²	74	41%	0.407	42%	0.419	S	S	.	.	S	Bend	trans	-127.6	147.2	167.1	-72.1	-170	-17.2	0	0	111.8	L117	L117-Q123 HydrophobicContact CB-CB 3.99Å; L117-Q123 HydrophobicContact CB-CG 3.94Å; L117-Q123 HydrophobicContact CD1-CG 4.22Å; L117-Q123 PolarHBondContact O-N 3.26Å
124	P	80.1	Confident	73.5	Confident	38 Å²	38	75.8 Å²	75.8	25%	0.247	42%	0.421	C	S	.	.			trans	-69.4	151.1	172.6	32.9	-37.9	0	0	0	110.6	P126 A155 C156	P124-P126 WeakPolarHBondContact O-CD 3.44Å; P124-A155 WeakPolarHBondContact CG-O 3.29Å; P124-C156 HydrophobicContact CB-CB 4.28Å
125	N	75.2	Confident	72.1	Confident	71 Å²	71	77.1 Å²	77.1	38%	0.38	43%	0.425	S	S	.	.			trans	-70.9	121.4	167.9	-174.3	-26	0	0	0	108.8	V118 S127 K128	V118-N125 HydrophobicContact CG1-CB 4.09Å; N125-S127 PolarHBondContact O-N 3.39Å; N125-S127 PolarHBondContact OD1-N 3.42Å; N125-K128 PolarHBondContact O-N 2.96Å; N125-K128 VanDerWaalsContact O-N 3.13Å
126	P	63.8	Low	70.9	Confident	105 Å²	105	77.1 Å²	77.1	68%	0.682	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-58.6	-22.4	-177.9	20.4	-31.1	0	0	0	113.6	P124 K128	P124-P126 WeakPolarHBondContact O-CD 3.44Å; P126-K128 PolarHBondContact O-N 3.5Å
127	S	59.4	Low	70	Confident	108 Å²	108	80.8 Å²	80.8	76%	0.755	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-80.9	-7.8	-178.5	-54.6	0	0	0	0	114.8	N125	N125-S127 PolarHBondContact O-N 3.39Å; N125-S127 PolarHBondContact OD1-N 3.42Å
128	K	55.6	Low	69.7	Low	170 Å²	170	83.2 Å²	83.2	74%	0.739	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-116.8	22.7	-176.6	-70.1	-168.1	176.9	-173.8	0	113.6	N125 P126 V130	N125-K128 PolarHBondContact O-N 2.96Å; N125-K128 VanDerWaalsContact O-N 3.13Å; P126-K128 PolarHBondContact O-N 3.5Å; K128-V130 PolarHBondContact O-N 3.16Å
129	H	52.1	Low	69.5	Low	96 Å²	96	81.2 Å²	81.2	44%	0.444	45%	0.449	S	S	.	.			trans	-64.8	100.6	174.7	-110.4	-63.9	0	0	0	109.9	P131	H129-P131 WeakPolarHBondContact O-CD 3.22Å
130	V	51.8	Low	69.3	Low	110 Å²	110	79.5 Å²	79.5	67%	0.667	45%	0.447	S	S	*	.			trans	-83.5	118.8	164.8	-175.9	0	0	0	0	106.3	K128 T132	K128-V130 PolarHBondContact O-N 3.16Å; V130-T132 PolarHBondContact O-N 3.39Å
131	P	50.5	Low	69.2	Low	109 Å²	109	83.3 Å²	83.3	71%	0.708	47%	0.47	S	S	*	.			trans	-60.5	128.3	172.5	-16.8	29.1	0	0	0	108.8	H129 S133	H129-P131 WeakPolarHBondContact O-CD 3.22Å; P131-S133 PolarHBondContact O-N 3.46Å
132	T	52.8	Low	69.2	Low	82 Å²	82	80.1 Å²	80.1	50%	0.503	46%	0.464	S	S	.	.			trans	-63.5	108.9	169.7	35.6	0	0	0	0	108.5	V130 H134	V130-T132 PolarHBondContact O-N 3.39Å; T132-H134 PolarHBondContact O-N 3.1Å
133	S	51	Low	69.1	Low	112 Å²	112	85.3 Å²	85.3	78%	0.783	49%	0.489	S	S	*	.			trans	-77.2	26	-177.9	66.4	0	0	0	0	113.5	P131	P131-S133 PolarHBondContact O-N 3.46Å
134	H	55.2	Low	69.2	Low	92 Å²	92	86.8 Å²	86.8	43%	0.426	50%	0.496	S	S	.	.	S	Bend	trans	-96.6	147.6	-172.8	-66.8	-60.3	0	0	0	111.7	T132	T132-H134 PolarHBondContact O-N 3.1Å
135	P	58.8	Low	69.5	Low	80 Å²	80	91.4 Å²	91.4	52%	0.519	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-55.5	138.8	177.2	-19.7	29.4	0	0	0	110.3	H137 H138	P135-H137 PolarHBondContact O-N 3.04Å; P135-H138 PolarHBondContact O-N 3.03Å
136	P	62.2	Low	69.8	Low	104 Å²	104	89 Å²	89	68%	0.675	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	135.3	171.4	23.8	-31.6	0	0	0	108.5
137	H	73.3	Confident	70.7	Confident	78 Å²	78	91.6 Å²	91.6	36%	0.361	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	20.5	178.2	-42.5	-68.7	0	0	0	118	P135 F145 V146	P135-H137 PolarHBondContact O-N 3.04Å; H137-F145 HydrophobicContact CB-CD2 3.91Å; H137-F145 HydrophobicContact CB-CE2 3.39Å; H137-F145 HydrophobicContact CB-CZ 3.84Å; H137-F145 CarbonylContact O-C 3.54Å; H137-F145 VanDerWaalsContact O-CA 3.3Å; H137-F145 WeakPolarHBondContact O-CA 3.16Å; H137-F145 WeakPolarHBondContact O-CD2 3.41Å; H137-V146 CarbonylContact C-O 3.53Å; H137-V146 VanDerWaalsContact CA-O 3.26Å; H137-V146 WeakPolarHBondContact CA-O 3.37Å; H137-V146 WeakPolarHBondContact CB-O 3.41Å; H137-V146 PolarHBondContact O-N 3.13Å; H137-V146 VanDerWaalsContact O-O 3.14Å
138	H	83.4	Confident	71.4	Confident	72 Å²	72	93.1 Å²	93.1	33%	0.333	49%	0.49	S	S	.	.	B	Isolated β-bridge	trans	-122.6	143.3	170.1	-66.3	76	0	0	0	111.9	P135 Q144 F145	P135-H138 PolarHBondContact O-N 3.03Å; H138-Q144 WeakPolarHBondContact CA-O 3.06Å; H138-F145 AromaticContact CE1-CD2 3.84Å
139	C	87.6	Confident	72.6	Confident	0 Å²	0	91.7 Å²	91.7	0%	0	49%	0.485	C	S	.	.			trans	-79.4	128	171.2	-179.8	0	0	0	0	110.2	V141 C142 M143 Q144 C161	C139-V141 PolarHBondContact O-N 2.85Å; C139-C142 VanDerWaalsContact CB-SG 3.56Å; C139-M143 WeakPolarHBondContact O-CA 3.3Å; C139-M143 PolarHBondContact O-N 2.91Å; C139-Q144 PolarHBondContact N-O 3.27Å; C139-C161 HydrophobicContact CB-CB 4.08Å; C139-C161 PolarHBondContact SG-N 3.12Å; C139-C161 VanDerWaalsContact SG-N 3.42Å
140	A	84.6	Confident	74.1	Confident	30 Å²	30	91.3 Å²	91.3	25%	0.248	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-14.9	-178.4	0	0	0	0	0	114.7	M143 F160	A140-M143 WeakPolarHBondContact O-CE 3.36Å; A140-F160 HydrophobicContact CB-CE1 4.25Å
141	V	89	Confident	75.7	Confident	80 Å²	80	87 Å²	87	49%	0.485	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-57.3	-178.3	174.2	0	0	0	0	111.4	C139 F160 C164 M184	C139-V141 PolarHBondContact O-N 2.85Å; V141-F160 HydrophobicContact CG2-CD1 3.57Å; V141-F160 HydrophobicContact CG2-CE1 3.75Å; V141-C164 HydrophobicContact CB-CB 4.38Å; V141-C164 HydrophobicContact CG1-CB 4.38Å; V141-M184 HydrophobicContact CG2-SD 4.27Å
142	C	90.9	Very high	77.6	Confident	46 Å²	46	84.4 Å²	84.4	31%	0.311	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-5.5	-177.6	66.8	0	0	0	0	114.2	C139 Q144	C139-C142 VanDerWaalsContact CB-SG 3.56Å; C142-Q144 HydrophobicContact CB-CG 4.29Å; C142-Q144 PolarHBondContact O-N 3.25Å
143	M	87.8	Confident	79.4	Confident	122 Å²	122	82.9 Å²	82.9	60%	0.601	43%	0.432	S	S	*	.			trans	58	14.1	-177	-56.5	-63.2	177.4	0	0	114.9	C139 A140	C139-M143 WeakPolarHBondContact O-CA 3.3Å; C139-M143 PolarHBondContact O-N 2.91Å; A140-M143 WeakPolarHBondContact O-CE 3.36Å
144	Q	88.3	Confident	81.3	Confident	117 Å²	117	78.4 Å²	78.4	55%	0.547	40%	0.4	S	S	.	.			trans	-79.4	148.1	177.5	-65.5	-174.8	-16.7	0	0	111.7	H138 C139 C142 V146	H138-Q144 WeakPolarHBondContact CA-O 3.06Å; C139-Q144 PolarHBondContact N-O 3.27Å; C142-Q144 HydrophobicContact CB-CG 4.29Å; C142-Q144 PolarHBondContact O-N 3.25Å; Q144-V146 PolarHBondContact O-N 3.37Å
145	F	85.7	Confident	82.8	Confident	135 Å²	135	76.5 Å²	76.5	59%	0.592	40%	0.4	S	S	*	.	B	Isolated β-bridge	trans	-68.7	122.8	171.3	-177.7	-90.6	0	0	0	110.2	H137 H138	H137-F145 HydrophobicContact CB-CD2 3.91Å; H137-F145 HydrophobicContact CB-CE2 3.39Å; H137-F145 HydrophobicContact CB-CZ 3.84Å; H137-F145 CarbonylContact O-C 3.54Å; H137-F145 VanDerWaalsContact O-CA 3.3Å; H137-F145 WeakPolarHBondContact O-CA 3.16Å; H137-F145 WeakPolarHBondContact O-CD2 3.41Å; H138-F145 AromaticContact CE1-CD2 3.84Å
146	V	82.8	Confident	84.2	Confident	22 Å²	22	72.9 Å²	72.9	13%	0.133	38%	0.377	C	S	.	.			trans	-137.7	129.1	-179.1	-177.3	0	0	0	0	108.7	H137 Q144 N150 L151 C161	H137-V146 CarbonylContact C-O 3.53Å; H137-V146 VanDerWaalsContact CA-O 3.26Å; H137-V146 WeakPolarHBondContact CA-O 3.37Å; H137-V146 WeakPolarHBondContact CB-O 3.41Å; H137-V146 PolarHBondContact O-N 3.13Å; H137-V146 VanDerWaalsContact O-O 3.14Å; Q144-V146 PolarHBondContact O-N 3.37Å; V146-N150 HydrophobicContact CG1-CB 3.68Å; V146-L151 HydrophobicContact CB-CD2 4.15Å; V146-L151 HydrophobicContact CG1-CD2 4.05Å; V146-L151 HydrophobicContact CG1-CG 4.29Å; V146-C161 HydrophobicContact CB-CB 4.42Å; V146-C161 HydrophobicContact CG1-CB 4.13Å; V146-C161 HydrophobicContact CG2-CB 3.8Å
147	R	81.4	Confident	85.5	Confident	159 Å²	159	73.8 Å²	73.8	60%	0.6	37%	0.372	S	S	*	.			trans	-58.2	144.2	174.7	-65.4	-174.4	-179.1	173.3	0.6	109.9	E149 N150	R147-E149 HydrophobicContact CB-CG 3.86Å; R147-E149 WeakPolarHBondContact CD-OE1 3.41Å; R147-E149 IonicContact NH1-OE1 2.7Å; R147-E149 PolarHBondContact O-N 2.94Å; R147-E149 VanDerWaalsContact O-N 3.13Å; R147-N150 PolarHBondContact O-N 3.18Å
148	K	75.5	Confident	86.2	Confident	140 Å²	140	71.8 Å²	71.8	61%	0.609	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-57.5	-33.4	-174.6	-171.2	178.5	178.7	-178.7	0	112.7	N150 L151	K148-N150 PolarHBondContact O-N 3.07Å; K148-L151 PolarHBondContact O-N 3.38Å
149	E	79.4	Confident	86.4	Confident	139 Å²	139	72 Å²	72	65%	0.65	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-63.3	-22.2	175.4	63.7	-158.6	-170	0	0	114.6	R147	R147-E149 HydrophobicContact CB-CG 3.86Å; R147-E149 WeakPolarHBondContact CD-OE1 3.41Å; R147-E149 IonicContact NH1-OE1 2.7Å; R147-E149 PolarHBondContact O-N 2.94Å; R147-E149 VanDerWaalsContact O-N 3.13Å
150	N	83.4	Confident	86.7	Confident	89 Å²	89	72.5 Å²	72.5	48%	0.476	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-101.5	4.8	-179.5	-65.7	-33.2	0	0	0	112.9	V146 R147 K148	V146-N150 HydrophobicContact CG1-CB 3.68Å; R147-N150 PolarHBondContact O-N 3.18Å; K148-N150 PolarHBondContact O-N 3.07Å
151	L	87.2	Confident	87.1	Confident	19 Å²	19	71.2 Å²	71.2	10%	0.099	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	128.8	171.8	-67.4	172.9	0	0	0	109.3	V146 K148 Q159 F160 C161	V146-L151 HydrophobicContact CB-CD2 4.15Å; V146-L151 HydrophobicContact CG1-CD2 4.05Å; V146-L151 HydrophobicContact CG1-CG 4.29Å; K148-L151 PolarHBondContact O-N 3.38Å; L151-Q159 HydrophobicContact CB-CB 4.12Å; L151-Q159 HydrophobicContact CB-CG 4.38Å; L151-Q159 HydrophobicContact CD1-CB 4.22Å; L151-F160 WeakPolarHBondContact CA-O 3.5Å; L151-C161 HydrophobicContact CD2-CB 4.37Å
152	L	90.5	Very high	87.2	Confident	54 Å²	54	73.6 Å²	73.6	28%	0.283	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	139.1	177.5	-56.2	175.2	0	0	0	109.3	F160 R162 W165 F196 L200	L152-F160 PolarHBondContact N-O 3.24Å; L152-F160 PolarHBondContact O-N 2.92Å; L152-R162 HydrophobicContact CD1-CB 4.18Å; L152-R162 HydrophobicContact CD1-CG 4.28Å; L152-W165 PolarHBondContact O-NE1 3.43Å; L152-W165 VanDerWaalsContact O-NE1 3.17Å; L152-F196 HydrophobicContact CB-CE2 4.28Å; L152-F196 HydrophobicContact CB-CZ 4.01Å; L152-L200 HydrophobicContact CD1-CD2 3.71Å
153	S	89.7	Confident	87.3	Confident	50 Å²	50	73.9 Å²	73.9	35%	0.35	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	149.1	178	59	0	0	0	0	111.6	H158	S153-H158 VanDerWaalsContact CA-O 3.28Å; S153-H158 WeakPolarHBondContact CA-O 3.37Å; S153-H158 WeakPolarHBondContact CB-O 3.39Å
154	L	90.1	Very high	87.7	Confident	18 Å²	18	68.3 Å²	68.3	9%	0.094	33%	0.331	C	S	.	.			trans	-85.9	-171.5	168.6	-58.2	171.8	0	0	0	110.6	C156 Q157 W165 C183 L190 T192 F196	L154-C156 PolarHBondContact O-N 3.36Å; L154-C156 VanDerWaalsContact O-N 3.1Å; L154-Q157 PolarHBondContact O-N 3.29Å; L154-W165 HydrophobicContact CD1-CH2 3.87Å; L154-W165 HydrophobicContact CD1-CZ2 4.43Å; L154-W165 HydrophobicContact CG-CH2 4.12Å; L154-W165 HydrophobicContact CG-CZ2 4.25Å; L154-C183 HydrophobicContact CD1-CB 4.12Å; L154-L190 HydrophobicContact CB-CD2 3.46Å; L154-L190 VanDerWaalsContact CB-CD2 3.46Å; L154-L190 HydrophobicContact CD1-CD2 3.87Å; L154-L190 HydrophobicContact CD1-CG 4.49Å; L154-L190 HydrophobicContact CG-CD2 4.33Å; L154-T192 HydrophobicContact CD1-CG2 3.62Å; L154-T192 HydrophobicContact CD2-CG2 4.02Å; L154-T192 HydrophobicContact CG-CG2 4.35Å; L154-F196 HydrophobicContact CD2-CB 4.49Å; L154-F196 HydrophobicContact CD2-CD1 3.83Å; L154-F196 HydrophobicContact CD2-CD2 3.93Å; L154-F196 HydrophobicContact CD2-CE1 3.96Å; L154-F196 HydrophobicContact CD2-CE2 4.05Å; L154-F196 HydrophobicContact CD2-CG 3.81Å; L154-F196 HydrophobicContact CD2-CZ 4.06Å
155	A	88.3	Confident	88	Confident	53 Å²	53	62.7 Å²	62.7	44%	0.438	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-22	174.8	0	0	0	0	0	114.2	P124 Q157 L190	P124-A155 WeakPolarHBondContact CG-O 3.29Å; A155-Q157 PolarHBondContact O-N 3.14Å; A155-L190 HydrophobicContact CB-CD2 4.26Å
156	C	87.9	Confident	88.4	Confident	4 Å²	4	59 Å²	59	3%	0.027	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-9.1	173.3	58.8	0	0	0	0	114.3	P124 L154 H158 C183 L190	P124-C156 HydrophobicContact CB-CB 4.28Å; L154-C156 PolarHBondContact O-N 3.36Å; L154-C156 VanDerWaalsContact O-N 3.1Å; C156-H158 PolarHBondContact O-N 3.43Å; C156-H158 VanDerWaalsContact O-N 3.12Å; C156-H158 PolarHBondContact SG-ND1 3.01Å; C156-C183 VanDerWaalsContact SG-SG 3.62Å; C156-L190 HydrophobicContact CB-CD2 3.76Å
157	Q	88.3	Confident	89	Confident	123 Å²	123	64.2 Å²	64.2	58%	0.575	31%	0.312	S	S	*	.			trans	64.7	6.5	-179.6	-49.3	178.9	28.2	0	0	115.4	L154 A155 Q159	L154-Q157 PolarHBondContact O-N 3.29Å; A155-Q157 PolarHBondContact O-N 3.14Å; Q157-Q159 PolarHBondContact O-N 3.25Å
158	H	88.1	Confident	89.7	Confident	36 Å²	36	58.8 Å²	58.8	17%	0.167	29%	0.294	C	S	.	.			trans	-65.6	124.9	168.5	-59.4	126.9	0	0	0	110.1	S153 C156 F160 A185	S153-H158 VanDerWaalsContact CA-O 3.28Å; S153-H158 WeakPolarHBondContact CA-O 3.37Å; S153-H158 WeakPolarHBondContact CB-O 3.39Å; C156-H158 PolarHBondContact O-N 3.43Å; C156-H158 VanDerWaalsContact O-N 3.12Å; C156-H158 PolarHBondContact SG-ND1 3.01Å; H158-F160 HydrophobicContact CB-CE2 3.61Å; H158-F160 HydrophobicContact CB-CZ 3.98Å; H158-A185 HydrophobicContact CB-CB 3.95Å; H158-A185 VanDerWaalsContact CG-CB 3.42Å; H158-A185 VanDerWaalsContact ND1-CB 3.27Å; H158-A185 WeakPolarHBondContact ND1-CB 3.49Å
159	Q	89.1	Confident	90.7	Very high	76 Å²	76	52.1 Å²	52.1	36%	0.355	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.9	-171.1	-77.4	175.2	-3.2	0	0	111.6	L151 Q157	L151-Q159 HydrophobicContact CB-CB 4.12Å; L151-Q159 HydrophobicContact CB-CG 4.38Å; L151-Q159 HydrophobicContact CD1-CB 4.22Å; Q157-Q159 PolarHBondContact O-N 3.25Å
160	F	91.9	Very high	91.4	Very high	10 Å²	10	46.2 Å²	46.2	4%	0.044	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	153.8	176.4	-49.8	-82.2	0	0	0	110.1	A140 V141 L151 L152 H158 W165 M184 A185	A140-F160 HydrophobicContact CB-CE1 4.25Å; V141-F160 HydrophobicContact CG2-CD1 3.57Å; V141-F160 HydrophobicContact CG2-CE1 3.75Å; L151-F160 WeakPolarHBondContact CA-O 3.5Å; L152-F160 PolarHBondContact N-O 3.24Å; L152-F160 PolarHBondContact O-N 2.92Å; H158-F160 HydrophobicContact CB-CE2 3.61Å; H158-F160 HydrophobicContact CB-CZ 3.98Å; F160-W165 AromaticContact CD2-CE2 3.99Å; F160-W165 AromaticContact CD2-CZ2 3.87Å; F160-W165 HydrophobicContact CD2-CZ2 3.87Å; F160-W165 AromaticContact CD2-NE1 3.88Å; F160-W165 HydrophobicContact CE2-CZ2 4.42Å; F160-M184 HydrophobicContact CB-CE 3.5Å; F160-M184 VanDerWaalsContact CB-CE 3.5Å; F160-M184 HydrophobicContact CD1-CB 4.44Å; F160-M184 HydrophobicContact CD1-CE 4.22Å; F160-M184 HydrophobicContact CD2-CB 4.32Å; F160-M184 HydrophobicContact CD2-CE 3.61Å; F160-M184 HydrophobicContact CE1-CB 4.07Å; F160-M184 HydrophobicContact CE2-CB 3.94Å; F160-M184 HydrophobicContact CE2-CE 4.37Å; F160-M184 HydrophobicContact CG-CE 3.51Å; F160-M184 HydrophobicContact CG-SD 4.48Å; F160-M184 HydrophobicContact CZ-CB 3.8Å; F160-A185 HydrophobicContact CZ-CB 4.02Å
161	C	92.9	Very high	92	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.027	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	157.1	177.2	69.8	0	0	0	0	111.5	C139 V146 L151 S163 C164 W165	C139-C161 HydrophobicContact CB-CB 4.08Å; C139-C161 PolarHBondContact SG-N 3.12Å; C139-C161 VanDerWaalsContact SG-N 3.42Å; V146-C161 HydrophobicContact CB-CB 4.42Å; V146-C161 HydrophobicContact CG1-CB 4.13Å; V146-C161 HydrophobicContact CG2-CB 3.8Å; L151-C161 HydrophobicContact CD2-CB 4.37Å; C161-S163 VanDerWaalsContact C-N 3.33Å; C161-S163 PolarHBondContact O-N 3.35Å; C161-S163 PolarHBondContact SG-OG 2.84Å; C161-C164 PolarHBondContact O-N 3.44Å; C161-C164 PolarHBondContact SG-SG 2.98Å; C161-W165 PolarHBondContact O-N 3.27Å
162	R	92.5	Very high	92.3	Very high	129 Å²	129	46.8 Å²	46.8	49%	0.487	24%	0.244	S	C	.	.	H	α-helix	trans	-54.2	-45.9	178.5	-176.6	174.9	179.7	131.8	7	112.7	L152 C164 W165 E166 P199 L200	L152-R162 HydrophobicContact CD1-CB 4.18Å; L152-R162 HydrophobicContact CD1-CG 4.28Å; R162-C164 VanDerWaalsContact C-N 3.34Å; R162-C164 PolarHBondContact O-N 3.48Å; R162-W165 WeakPolarHBondContact O-CB 3.27Å; R162-W165 PolarHBondContact O-N 2.59Å; R162-W165 VanDerWaalsContact O-N 3.11Å; R162-E166 HydrophobicContact CG-CG 4.12Å; R162-E166 WeakPolarHBondContact CG-OE1 2.97Å; R162-E166 IonicContact CZ-OE1 3.63Å; R162-E166 IonicContact NE-OE1 3.47Å; R162-E166 PolarHBondContact NE-OE1 3.37Å; R162-E166 IonicContact NH2-OE1 3.22Å; R162-E166 VanDerWaalsContact O-CG 3.3Å; R162-E166 WeakPolarHBondContact O-CG 3.46Å; R162-E166 PolarHBondContact O-N 2.96Å; R162-P199 PolarHBondContact NH2-O 2.68Å; R162-L200 HydrophobicContact CG-CD2 4.03Å
163	S	93.1	Very high	92.6	Very high	52 Å²	52	44.2 Å²	44.2	36%	0.364	23%	0.231	S	C	.	.	H	α-helix	trans	-61.6	-38.5	-178.3	53.2	0	0	0	0	113.3	C161 E166 Q167	C161-S163 VanDerWaalsContact C-N 3.33Å; C161-S163 PolarHBondContact O-N 3.35Å; C161-S163 PolarHBondContact SG-OG 2.84Å; S163-E166 PolarHBondContact O-N 3.25Å; S163-Q167 WeakPolarHBondContact O-CB 3.39Å; S163-Q167 WeakPolarHBondContact O-CG 3.37Å; S163-Q167 PolarHBondContact O-N 3.2Å
164	C	94.8	Very high	92.7	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.034	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-41.3	174.1	-73.2	0	0	0	0	111.8	V141 C161 R162 Q167 H168 M184	V141-C164 HydrophobicContact CB-CB 4.38Å; V141-C164 HydrophobicContact CG1-CB 4.38Å; C161-C164 PolarHBondContact O-N 3.44Å; C161-C164 PolarHBondContact SG-SG 2.98Å; R162-C164 VanDerWaalsContact C-N 3.34Å; R162-C164 PolarHBondContact O-N 3.48Å; C164-Q167 PolarHBondContact O-N 3.45Å; C164-H168 VanDerWaalsContact O-CB 3.22Å; C164-H168 WeakPolarHBondContact O-CB 3.5Å; C164-H168 PolarHBondContact O-N 3.46Å; C164-M184 HydrophobicContact CB-CE 4.44Å; C164-M184 HydrophobicContact CB-SD 4.25Å
165	W	95.2	Very high	92.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.6	-45	174.5	-88.2	114.9	0	0	0	112.5	L152 L154 F160 C161 R162 Q167 H168 C169 M184 T192 F196 L200	L152-W165 PolarHBondContact O-NE1 3.43Å; L152-W165 VanDerWaalsContact O-NE1 3.17Å; L154-W165 HydrophobicContact CD1-CH2 3.87Å; L154-W165 HydrophobicContact CD1-CZ2 4.43Å; L154-W165 HydrophobicContact CG-CH2 4.12Å; L154-W165 HydrophobicContact CG-CZ2 4.25Å; F160-W165 AromaticContact CD2-CE2 3.99Å; F160-W165 AromaticContact CD2-CZ2 3.87Å; F160-W165 HydrophobicContact CD2-CZ2 3.87Å; F160-W165 AromaticContact CD2-NE1 3.88Å; F160-W165 HydrophobicContact CE2-CZ2 4.42Å; C161-W165 PolarHBondContact O-N 3.27Å; R162-W165 WeakPolarHBondContact O-CB 3.27Å; R162-W165 PolarHBondContact O-N 2.59Å; R162-W165 VanDerWaalsContact O-N 3.11Å; W165-Q167 VanDerWaalsContact C-N 3.35Å; W165-Q167 PolarHBondContact O-N 2.94Å; W165-H168 PolarHBondContact O-N 2.65Å; W165-C169 WeakPolarHBondContact O-CB 3.45Å; W165-C169 PolarHBondContact O-N 2.93Å; W165-C169 PolarHBondContact O-SG 3.3Å; W165-M184 HydrophobicContact CB-CE 4.29Å; W165-M184 HydrophobicContact CD2-CE 3.26Å; W165-M184 VanDerWaalsContact CE2-CE 3.42Å; W165-M184 HydrophobicContact CE3-CE 3.62Å; W165-M184 HydrophobicContact CG-CE 3.56Å; W165-M184 HydrophobicContact CH2-CE 4.21Å; W165-M184 HydrophobicContact CZ2-CE 3.92Å; W165-M184 HydrophobicContact CZ3-CE 4.07Å; W165-T192 HydrophobicContact CH2-CG2 3.94Å; W165-T192 HydrophobicContact CZ3-CG2 3.69Å; W165-F196 AromaticContact CD2-CE1 3.72Å; W165-F196 HydrophobicContact CD2-CE1 3.72Å; W165-F196 HydrophobicContact CD2-CZ 4.05Å; W165-F196 AromaticContact CE2-CE1 3.86Å; W165-F196 AromaticContact CE2-CZ 3.82Å; W165-F196 AromaticContact CE3-CE1 3.76Å; W165-F196 HydrophobicContact CE3-CE1 3.76Å; W165-F196 HydrophobicContact CG-CE1 4.37Å; W165-F196 HydrophobicContact CG-CZ 4.46Å; W165-F196 HydrophobicContact CH2-CE1 4.08Å; W165-F196 HydrophobicContact CZ2-CE1 4.04Å; W165-F196 HydrophobicContact CZ2-CZ 4.11Å; W165-F196 AromaticContact CZ3-CE1 3.95Å; W165-F196 HydrophobicContact CZ3-CE1 3.95Å; W165-L200 HydrophobicContact CB-CD1 3.84Å; W165-L200 HydrophobicContact CB-CD2 4.17Å; W165-L200 HydrophobicContact CG-CD1 4.3Å
166	E	95.1	Very high	93.1	Very high	57 Å²	57	51.5 Å²	51.5	27%	0.266	26%	0.255	S	S	.	.	H	α-helix	trans	-60.2	-44.6	177.6	-66.6	178.5	168.6	0	0	111.2	R162 S163 S170 L200	R162-E166 HydrophobicContact CG-CG 4.12Å; R162-E166 WeakPolarHBondContact CG-OE1 2.97Å; R162-E166 IonicContact CZ-OE1 3.63Å; R162-E166 IonicContact NE-OE1 3.47Å; R162-E166 PolarHBondContact NE-OE1 3.37Å; R162-E166 IonicContact NH2-OE1 3.22Å; R162-E166 VanDerWaalsContact O-CG 3.3Å; R162-E166 WeakPolarHBondContact O-CG 3.46Å; R162-E166 PolarHBondContact O-N 2.96Å; S163-E166 PolarHBondContact O-N 3.25Å; E166-S170 WeakPolarHBondContact O-CB 3.43Å; E166-S170 PolarHBondContact O-N 3.43Å; E166-S170 PolarHBondContact O-OG 3.28Å; E166-L200 HydrophobicContact CG-CB 4.15Å; E166-L200 HydrophobicContact CG-CD2 4.15Å; E166-L200 VanDerWaalsContact CG-O 3.3Å; E166-L200 WeakPolarHBondContact CG-O 3.26Å
167	Q	95.2	Very high	93.3	Very high	132 Å²	132	53.2 Å²	53.2	62%	0.617	27%	0.266	S	S	*	.	H	α-helix	trans	-64.9	-48.6	176.4	-74.5	179.5	-28	0	0	112.1	S163 C164 W165 S170 V171	S163-Q167 WeakPolarHBondContact O-CB 3.39Å; S163-Q167 WeakPolarHBondContact O-CG 3.37Å; S163-Q167 PolarHBondContact O-N 3.2Å; C164-Q167 PolarHBondContact O-N 3.45Å; W165-Q167 VanDerWaalsContact C-N 3.35Å; W165-Q167 PolarHBondContact O-N 2.94Å; Q167-S170 PolarHBondContact O-N 2.96Å; Q167-V171 WeakPolarHBondContact O-CG2 3.36Å; Q167-V171 PolarHBondContact O-N 3.43Å
168	H	95.5	Very high	93.5	Very high	45 Å²	45	47.4 Å²	47.4	21%	0.208	24%	0.239	C	C	.	.	H	α-helix	trans	-57.9	-52.1	179.3	178.9	67.8	0	0	0	112	C164 W165 S170 V171 L172 S182 M184	C164-H168 VanDerWaalsContact O-CB 3.22Å; C164-H168 WeakPolarHBondContact O-CB 3.5Å; C164-H168 PolarHBondContact O-N 3.46Å; W165-H168 PolarHBondContact O-N 2.65Å; H168-S170 VanDerWaalsContact C-N 3.34Å; H168-S170 PolarHBondContact O-N 2.97Å; H168-V171 PolarHBondContact O-N 3.07Å; H168-L172 VanDerWaalsContact CE1-CD1 3.45Å; H168-L172 WeakPolarHBondContact CE1-CD1 3.26Å; H168-L172 WeakPolarHBondContact NE2-CD1 3.36Å; H168-L172 WeakPolarHBondContact O-CG 3.35Å; H168-L172 PolarHBondContact O-N 3.08Å; H168-S182 PolarHBondContact NE2-O 3.29Å; H168-M184 HydrophobicContact CB-CG 3.99Å; H168-M184 HydrophobicContact CB-SD 3.65Å; H168-M184 VanDerWaalsContact CG-CG 3.46Å
169	C	95.6	Very high	93.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61	-43.7	177	-67.3	0	0	0	0	111.3	W165 V171 L172 I173 V197 L201	W165-C169 WeakPolarHBondContact O-CB 3.45Å; W165-C169 PolarHBondContact O-N 2.93Å; W165-C169 PolarHBondContact O-SG 3.3Å; C169-V171 PolarHBondContact O-N 2.98Å; C169-L172 PolarHBondContact O-N 3.42Å; C169-I173 HydrophobicContact CB-CD1 4.46Å; C169-I173 WeakPolarHBondContact O-CB 3.41Å; C169-I173 WeakPolarHBondContact O-CD1 3.4Å; C169-I173 WeakPolarHBondContact O-CG1 3.33Å; C169-I173 PolarHBondContact O-N 2.68Å; C169-V197 HydrophobicContact CB-CG1 4.19Å; C169-L201 HydrophobicContact CB-CD2 4.02Å
170	S	95.3	Very high	93.8	Very high	14 Å²	14	43.8 Å²	43.8	10%	0.098	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-39.9	-179.9	-64.3	0	0	0	0	112.8	E166 Q167 H168 K174	E166-S170 WeakPolarHBondContact O-CB 3.43Å; E166-S170 PolarHBondContact O-N 3.43Å; E166-S170 PolarHBondContact O-OG 3.28Å; Q167-S170 PolarHBondContact O-N 2.96Å; H168-S170 VanDerWaalsContact C-N 3.34Å; H168-S170 PolarHBondContact O-N 2.97Å; S170-K174 WeakPolarHBondContact O-CB 3.37Å; S170-K174 WeakPolarHBondContact O-CD 3.2Å; S170-K174 WeakPolarHBondContact O-CG 3.33Å; S170-K174 PolarHBondContact O-N 3.36Å; S170-K174 VanDerWaalsContact O-N 3.09Å
171	V	95.4	Very high	93.9	Very high	82 Å²	82	43.3 Å²	43.3	50%	0.497	23%	0.229	S	C	.	.	H	α-helix	trans	-66.8	-51.9	177	171.2	0	0	0	0	110.1	Q167 H168 C169 I173 K174 D175	Q167-V171 WeakPolarHBondContact O-CG2 3.36Å; Q167-V171 PolarHBondContact O-N 3.43Å; H168-V171 PolarHBondContact O-N 3.07Å; C169-V171 PolarHBondContact O-N 2.98Å; V171-I173 VanDerWaalsContact C-N 3.31Å; V171-I173 PolarHBondContact O-N 2.94Å; V171-K174 WeakPolarHBondContact O-CB 3.49Å; V171-K174 PolarHBondContact O-N 3.28Å; V171-K174 VanDerWaalsContact O-N 3.08Å; V171-D175 PolarHBondContact O-N 3.26Å
172	L	94.8	Very high	94	Very high	38 Å²	38	45.2 Å²	45.2	20%	0.199	24%	0.242	C	C	.	.	H	α-helix	trans	-60	-39.5	-179.1	-70.6	178.6	0	0	0	113	H168 C169 D175 G176 V177 V181	H168-L172 VanDerWaalsContact CE1-CD1 3.45Å; H168-L172 WeakPolarHBondContact CE1-CD1 3.26Å; H168-L172 WeakPolarHBondContact NE2-CD1 3.36Å; H168-L172 WeakPolarHBondContact O-CG 3.35Å; H168-L172 PolarHBondContact O-N 3.08Å; C169-L172 PolarHBondContact O-N 3.42Å; L172-D175 CarbonylContact O-C 3.39Å; L172-D175 PolarHBondContact O-N 3.09Å; L172-G176 PolarHBondContact O-N 2.98Å; L172-V177 HydrophobicContact CB-CB 4.21Å; L172-V177 HydrophobicContact CB-CG2 4.41Å; L172-V177 HydrophobicContact CD2-CG2 4.39Å; L172-V177 VanDerWaalsContact O-CB 3.25Å; L172-V177 WeakPolarHBondContact O-CB 3.44Å; L172-V177 WeakPolarHBondContact O-CG2 3.3Å; L172-V177 PolarHBondContact O-N 3.04Å; L172-V181 HydrophobicContact CB-CG2 4.32Å; L172-V181 HydrophobicContact CD1-CB 4.44Å; L172-V181 HydrophobicContact CD1-CG1 3.97Å; L172-V181 HydrophobicContact CD1-CG2 4.37Å
173	I	95.2	Very high	94	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-69.4	-38.4	177.3	-67.9	162.6	0	0	0	110.7	C169 V171 D175 G176 V197 L201 L206 K209 Y210 Y213	C169-I173 HydrophobicContact CB-CD1 4.46Å; C169-I173 WeakPolarHBondContact O-CB 3.41Å; C169-I173 WeakPolarHBondContact O-CD1 3.4Å; C169-I173 WeakPolarHBondContact O-CG1 3.33Å; C169-I173 PolarHBondContact O-N 2.68Å; V171-I173 VanDerWaalsContact C-N 3.31Å; V171-I173 PolarHBondContact O-N 2.94Å; I173-D175 PolarHBondContact O-N 3.01Å; I173-G176 PolarHBondContact O-N 2.75Å; I173-V197 HydrophobicContact CD1-CG1 4.03Å; I173-L201 HydrophobicContact CD1-CD1 3.74Å; I173-L201 HydrophobicContact CD1-CD2 3.32Å; I173-L201 HydrophobicContact CD1-CG 4.18Å; I173-L206 HydrophobicContact CG2-CD2 4.19Å; I173-K209 HydrophobicContact CG2-CB 4.31Å; I173-Y210 HydrophobicContact CD1-CD1 4.45Å; I173-Y210 HydrophobicContact CD1-CD2 3.75Å; I173-Y210 HydrophobicContact CD1-CE2 4.35Å; I173-Y210 HydrophobicContact CD1-CG 3.8Å; I173-Y210 HydrophobicContact CG1-CD2 3.69Å; I173-Y210 HydrophobicContact CG1-CE2 4.31Å; I173-Y210 HydrophobicContact CG1-CG 4.2Å; I173-Y213 HydrophobicContact CG2-CD2 4.28Å; I173-Y213 HydrophobicContact CG2-CE2 4.27Å; I173-Y213 WeakPolarHBondContact O-CE2 3.25Å
174	K	93.6	Very high	94.1	Very high	140 Å²	140	38.9 Å²	38.9	61%	0.609	21%	0.214	S	C	*	.	H	α-helix	trans	-61.9	-32.9	173.2	-76.4	172.5	-177.9	-177.1	0	112.1	S170 V171 G176 L206	S170-K174 WeakPolarHBondContact O-CB 3.37Å; S170-K174 WeakPolarHBondContact O-CD 3.2Å; S170-K174 WeakPolarHBondContact O-CG 3.33Å; S170-K174 PolarHBondContact O-N 3.36Å; S170-K174 VanDerWaalsContact O-N 3.09Å; V171-K174 WeakPolarHBondContact O-CB 3.49Å; V171-K174 PolarHBondContact O-N 3.28Å; V171-K174 VanDerWaalsContact O-N 3.08Å; K174-G176 PolarHBondContact O-N 2.82Å; K174-L206 HydrophobicContact CG-CD2 3.92Å
175	D	93.8	Very high	93.8	Very high	119 Å²	119	39.5 Å²	39.5	64%	0.636	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	2.1	174.1	-63.3	-16.8	0	0	0	113.1	V171 L172 I173	V171-D175 PolarHBondContact O-N 3.26Å; L172-D175 CarbonylContact O-C 3.39Å; L172-D175 PolarHBondContact O-N 3.09Å; I173-D175 PolarHBondContact O-N 3.01Å
176	G	92.3	Very high	93.3	Very high	15 Å²	15	47.8 Å²	47.8	16%	0.155	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	15	173.8	0	0	0	0	0	115.3	L172 I173 K174 R216	L172-G176 PolarHBondContact O-N 2.98Å; I173-G176 PolarHBondContact O-N 2.75Å; K174-G176 PolarHBondContact O-N 2.82Å; G176-R216 PolarHBondContact O-NH1 3.17Å; G176-R216 PolarHBondContact O-NH2 3Å
177	V	92.6	Very high	92.9	Very high	41 Å²	41	52.2 Å²	52.2	25%	0.248	28%	0.283	C	S	.	.			trans	-82.3	120.8	179.9	-175.1	0	0	0	0	110.6	L172 G180 V181	L172-V177 HydrophobicContact CB-CB 4.21Å; L172-V177 HydrophobicContact CB-CG2 4.41Å; L172-V177 HydrophobicContact CD2-CG2 4.39Å; L172-V177 VanDerWaalsContact O-CB 3.25Å; L172-V177 WeakPolarHBondContact O-CB 3.44Å; L172-V177 WeakPolarHBondContact O-CG2 3.3Å; L172-V177 PolarHBondContact O-N 3.04Å; V177-G180 VanDerWaalsContact CG1-C 3.48Å; V177-V181 HydrophobicContact CG1-CG2 4.04Å
178	G	92.1	Very high	92.6	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.01	26%	0.26	C	S	.	.	S	Bend	trans	-94.9	-100.5	171.6	0	0	0	0	0	111.6	G180 V181 D217	G178-G180 PolarHBondContact O-N 3.07Å; G178-V181 WeakPolarHBondContact O-CG2 3.47Å; G178-V181 PolarHBondContact O-N 3.5Å; G178-D217 VanDerWaalsContact CA-OD2 3.25Å; G178-D217 WeakPolarHBondContact CA-OD2 3.17Å; G178-D217 PolarHBondContact N-OD2 3.39Å
179	V	92.3	Very high	92.3	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.024	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-16.6	-175.5	-179.5	0	0	0	0	112.8	L93 V96 V181 L214 D217 Y218	L93-V179 HydrophobicContact CD2-CG1 3.52Å; V96-V179 HydrophobicContact CB-CG1 4.31Å; V96-V179 HydrophobicContact CG1-CB 4.49Å; V96-V179 HydrophobicContact CG1-CG1 3.97Å; V96-V179 HydrophobicContact CG2-CG1 4.45Å; V96-V179 HydrophobicContact CG2-CG2 4.34Å; V179-V181 VanDerWaalsContact C-N 3.32Å; V179-V181 PolarHBondContact O-N 3.26Å; V179-L214 HydrophobicContact CB-CD2 4.48Å; V179-L214 HydrophobicContact CG2-CD2 3.68Å; V179-D217 HydrophobicContact CB-CB 4.21Å; V179-D217 HydrophobicContact CG2-CB 3.66Å; V179-D217 PolarHBondContact N-OD2 2.89Å; V179-Y218 HydrophobicContact CG2-CD1 3.89Å; V179-Y218 HydrophobicContact CG2-CE1 3.4Å; V179-Y218 VanDerWaalsContact CG2-CE1 3.4Å
180	G	91.5	Very high	92.1	Very high	32 Å²	32	48.8 Å²	48.8	33%	0.33	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-4.5	-177.7	0	0	0	0	0	116.1	V177 G178 S182	V177-G180 VanDerWaalsContact CG1-C 3.48Å; G178-G180 PolarHBondContact O-N 3.07Å; G180-S182 PolarHBondContact O-N 3.01Å
181	V	93.8	Very high	92	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.282	C	S	.	.			trans	-58.9	128.2	178	-178	0	0	0	0	109.1	L172 V177 G178 V179 R191 T192 V197 Y210	L172-V181 HydrophobicContact CB-CG2 4.32Å; L172-V181 HydrophobicContact CD1-CB 4.44Å; L172-V181 HydrophobicContact CD1-CG1 3.97Å; L172-V181 HydrophobicContact CD1-CG2 4.37Å; V177-V181 HydrophobicContact CG1-CG2 4.04Å; G178-V181 WeakPolarHBondContact O-CG2 3.47Å; G178-V181 PolarHBondContact O-N 3.5Å; V179-V181 VanDerWaalsContact C-N 3.32Å; V179-V181 PolarHBondContact O-N 3.26Å; V181-R191 CarbonylContact O-C 3.52Å; V181-R191 WeakPolarHBondContact O-CA 3.38Å; V181-T192 WeakPolarHBondContact CB-OG1 3.06Å; V181-T192 HydrophobicContact CG1-CG2 4.18Å; V181-T192 WeakPolarHBondContact CG1-OG1 3.25Å; V181-T192 PolarHBondContact O-N 2.95Å; V181-T192 PolarHBondContact O-OG1 3.23Å; V181-V197 HydrophobicContact CG1-CG2 4.31Å; V181-Y210 HydrophobicContact CG2-CE2 4.34Å
182	S	93.9	Very high	92	Very high	43 Å²	43	46.9 Å²	46.9	30%	0.301	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-132.9	167.9	-170.6	57	0	0	0	0	112.3	H168 G180 L190	H168-S182 PolarHBondContact NE2-O 3.29Å; G180-S182 PolarHBondContact O-N 3.01Å; S182-L190 VanDerWaalsContact CA-O 3.27Å; S182-L190 WeakPolarHBondContact CA-O 3.25Å; S182-L190 WeakPolarHBondContact CB-O 3.37Å
183	C	94.1	Very high	91.9	Very high	8 Å²	8	45.9 Å²	45.9	5%	0.054	25%	0.254	C	S	.	.			trans	-59.3	141.3	178.4	-171.6	0	0	0	0	112.3	L154 C156 A185 C188 L190	L154-C183 HydrophobicContact CD1-CB 4.12Å; C156-C183 VanDerWaalsContact SG-SG 3.62Å; C183-A185 PolarHBondContact O-N 3.49Å; C183-C188 HydrophobicContact CB-CB 3.96Å; C183-L190 HydrophobicContact CB-CB 4.48Å; C183-L190 PolarHBondContact N-O 3.32Å
184	M	93.5	Very high	91.8	Very high	40 Å²	40	47.1 Å²	47.1	20%	0.197	26%	0.26	C	S	.	.	S	Bend	trans	-71.5	-11	176.6	-71	177.2	-81.9	0	0	114.2	V141 F160 C164 W165 H168	V141-M184 HydrophobicContact CG2-SD 4.27Å; F160-M184 HydrophobicContact CB-CE 3.5Å; F160-M184 VanDerWaalsContact CB-CE 3.5Å; F160-M184 HydrophobicContact CD1-CB 4.44Å; F160-M184 HydrophobicContact CD1-CE 4.22Å; F160-M184 HydrophobicContact CD2-CB 4.32Å; F160-M184 HydrophobicContact CD2-CE 3.61Å; F160-M184 HydrophobicContact CE1-CB 4.07Å; F160-M184 HydrophobicContact CE2-CB 3.94Å; F160-M184 HydrophobicContact CE2-CE 4.37Å; F160-M184 HydrophobicContact CG-CE 3.51Å; F160-M184 HydrophobicContact CG-SD 4.48Å; F160-M184 HydrophobicContact CZ-CB 3.8Å; C164-M184 HydrophobicContact CB-CE 4.44Å; C164-M184 HydrophobicContact CB-SD 4.25Å; W165-M184 HydrophobicContact CB-CE 4.29Å; W165-M184 HydrophobicContact CD2-CE 3.26Å; W165-M184 VanDerWaalsContact CE2-CE 3.42Å; W165-M184 HydrophobicContact CE3-CE 3.62Å; W165-M184 HydrophobicContact CG-CE 3.56Å; W165-M184 HydrophobicContact CH2-CE 4.21Å; W165-M184 HydrophobicContact CZ2-CE 3.92Å; W165-M184 HydrophobicContact CZ3-CE 4.07Å; H168-M184 HydrophobicContact CB-CG 3.99Å; H168-M184 HydrophobicContact CB-SD 3.65Å; H168-M184 VanDerWaalsContact CG-CG 3.46Å
185	A	89.3	Confident	91.8	Very high	18 Å²	18	44.1 Å²	44.1	15%	0.149	25%	0.251	C	S	.	.	S	Bend	trans	-71	141.5	179.2	0	0	0	0	0	111.2	H158 F160 C183 D187 C188	H158-A185 HydrophobicContact CB-CB 3.95Å; H158-A185 VanDerWaalsContact CG-CB 3.42Å; H158-A185 VanDerWaalsContact ND1-CB 3.27Å; H158-A185 WeakPolarHBondContact ND1-CB 3.49Å; F160-A185 HydrophobicContact CZ-CB 4.02Å; C183-A185 PolarHBondContact O-N 3.49Å; A185-D187 PolarHBondContact O-N 3.38Å; A185-C188 HydrophobicContact CB-CB 3.89Å; A185-C188 WeakPolarHBondContact O-CB 3.37Å; A185-C188 PolarHBondContact O-N 2.98Å
186	Q	85.1	Confident	91.8	Very high	175 Å²	175	40.5 Å²	40.5	82%	0.818	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	134.7	175.9	-172.3	175.9	-3.3	0	0	110.8	C188	Q186-C188 PolarHBondContact O-N 2.68Å
187	D	85.9	Confident	92	Very high	149 Å²	149	39.8 Å²	39.8	80%	0.797	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	21	178.6	-56.5	-42.3	0	0	0	115.4	A185 P189	A185-D187 PolarHBondContact O-N 3.38Å; D187-P189 WeakPolarHBondContact O-CD 3.27Å
188	C	88.9	Confident	92.1	Very high	20 Å²	20	40.2 Å²	40.2	14%	0.135	22%	0.221	C	C	.	.			trans	-90.3	112	174.4	-169.9	0	0	0	0	110.6	C183 A185 Q186 L190	C183-C188 HydrophobicContact CB-CB 3.96Å; A185-C188 HydrophobicContact CB-CB 3.89Å; A185-C188 WeakPolarHBondContact O-CB 3.37Å; A185-C188 PolarHBondContact O-N 2.98Å; Q186-C188 PolarHBondContact O-N 2.68Å; C188-L190 PolarHBondContact O-N 2.83Å
189	P	88.6	Confident	92.3	Very high	81 Å²	81	44 Å²	44	53%	0.526	25%	0.245	S	C	.	.			trans	-78.3	-3.5	-177.1	32.9	-36.8	0	0	0	113.4	R121 D187 R191	R121-P189 WeakPolarHBondContact CB-O 3.3Å; R121-P189 WeakPolarHBondContact CD-O 3.4Å; R121-P189 HydrophobicContact CG-CB 4.48Å; D187-P189 WeakPolarHBondContact O-CD 3.27Å; P189-R191 PolarHBondContact O-N 2.74Å
190	L	92.1	Very high	92.3	Very high	5 Å²	5	44 Å²	44	3%	0.026	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-66	128.1	-168.7	-163.7	80.2	0	0	0	111.7	R121 V122 L154 A155 C156 S182 C183 C188	R121-L190 WeakPolarHBondContact O-CA 3.4Å; R121-L190 VanDerWaalsContact O-CD1 3.31Å; R121-L190 WeakPolarHBondContact O-CD1 3.44Å; V122-L190 WeakPolarHBondContact O-CD1 3.06Å; L154-L190 HydrophobicContact CB-CD2 3.46Å; L154-L190 VanDerWaalsContact CB-CD2 3.46Å; L154-L190 HydrophobicContact CD1-CD2 3.87Å; L154-L190 HydrophobicContact CD1-CG 4.49Å; L154-L190 HydrophobicContact CG-CD2 4.33Å; A155-L190 HydrophobicContact CB-CD2 4.26Å; C156-L190 HydrophobicContact CB-CD2 3.76Å; S182-L190 VanDerWaalsContact CA-O 3.27Å; S182-L190 WeakPolarHBondContact CA-O 3.25Å; S182-L190 WeakPolarHBondContact CB-O 3.37Å; C183-L190 HydrophobicContact CB-CB 4.48Å; C183-L190 PolarHBondContact N-O 3.32Å; C188-L190 PolarHBondContact O-N 2.83Å
191	R	94.3	Very high	92.5	Very high	54 Å²	54	42.7 Å²	42.7	20%	0.204	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-85.5	147.7	175.2	-68.2	-176.5	176.8	-163.9	1.5	111	L93 R121 V181 P189 P193	L93-R191 HydrophobicContact CD1-CB 4.07Å; L93-R191 HydrophobicContact CD2-CB 4.35Å; R121-R191 HydrophobicContact CB-CG 4.19Å; R121-R191 PolarHBondContact O-N 3.28Å; V181-R191 CarbonylContact O-C 3.52Å; V181-R191 WeakPolarHBondContact O-CA 3.38Å; P189-R191 PolarHBondContact O-N 2.74Å; R191-P193 WeakPolarHBondContact O-CD 3.35Å
192	T	93.6	Very high	92.3	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-86.9	122.6	175.2	47.7	0	0	0	0	110.2	L154 W165 V181 F196 V197	L154-T192 HydrophobicContact CD1-CG2 3.62Å; L154-T192 HydrophobicContact CD2-CG2 4.02Å; L154-T192 HydrophobicContact CG-CG2 4.35Å; W165-T192 HydrophobicContact CH2-CG2 3.94Å; W165-T192 HydrophobicContact CZ3-CG2 3.69Å; V181-T192 WeakPolarHBondContact CB-OG1 3.06Å; V181-T192 HydrophobicContact CG1-CG2 4.18Å; V181-T192 WeakPolarHBondContact CG1-OG1 3.25Å; V181-T192 PolarHBondContact O-N 2.95Å; V181-T192 PolarHBondContact O-OG1 3.23Å; T192-F196 HydrophobicContact CG2-CD1 4.16Å; T192-F196 HydrophobicContact CG2-CE1 4.48Å; T192-V197 WeakPolarHBondContact OG1-CG2 3.49Å
193	P	93.9	Very high	92.2	Very high	18 Å²	18	47.9 Å²	47.9	12%	0.117	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-57.4	147.5	167.9	-28.9	40	0	0	0	112.6	V90 L93 R191 D195 F196 V197	V90-P193 HydrophobicContact CG2-CG 4Å; L93-P193 HydrophobicContact CD1-CB 4.45Å; L93-P193 HydrophobicContact CD1-CG 4.01Å; R191-P193 WeakPolarHBondContact O-CD 3.35Å; P193-D195 VanDerWaalsContact C-N 3.31Å; P193-D195 WeakPolarHBondContact CB-OD1 3.23Å; P193-D195 PolarHBondContact O-N 3.21Å; P193-F196 WeakPolarHBondContact O-CB 3.25Å; P193-F196 PolarHBondContact O-N 2.8Å; P193-F196 VanDerWaalsContact O-N 3.09Å; P193-V197 PolarHBondContact O-N 2.93Å
194	E	93.1	Very high	92.3	Very high	25 Å²	25	51.9 Å²	51.9	12%	0.117	28%	0.277	C	S	.	.	H	α-helix	trans	-62.7	-33.5	-177	61.6	179.3	-166.2	0	0	113.5	S89 K92 F196 V197 F198 Y210 L214 Y218	S89-E194 VanDerWaalsContact OG-CG 3.24Å; S89-E194 WeakPolarHBondContact OG-CG 3.37Å; K92-E194 WeakPolarHBondContact CE-OE1 3.24Å; K92-E194 IonicContact NZ-OE1 2.82Å; K92-E194 PolarHBondContact NZ-OE1 3.11Å; K92-E194 IonicContact NZ-OE2 2.73Å; K92-E194 PolarHBondContact NZ-OE2 3.37Å; E194-F196 VanDerWaalsContact C-N 3.25Å; E194-F196 PolarHBondContact O-N 3.21Å; E194-V197 PolarHBondContact O-N 3.33Å; E194-V197 VanDerWaalsContact O-N 3.11Å; E194-F198 HydrophobicContact CB-CD2 4.16Å; E194-F198 HydrophobicContact CB-CE2 3.83Å; E194-F198 HydrophobicContact CG-CE2 4.25Å; E194-F198 WeakPolarHBondContact O-CD2 3.32Å; E194-F198 PolarHBondContact O-N 3.05Å; E194-Y210 HydrophobicContact CB-CE1 4.23Å; E194-L214 HydrophobicContact CB-CD1 3.84Å; E194-L214 WeakPolarHBondContact OE2-CD1 3.15Å; E194-Y218 PolarHBondContact OE2-OH 3.36Å
195	D	93.4	Very high	92.3	Very high	78 Å²	78	55.6 Å²	55.6	42%	0.417	29%	0.294	S	S	.	.	H	α-helix	trans	-64.4	-26.7	174.3	58	-16	0	0	0	113.1	S89 P193 P199	S89-D195 VanDerWaalsContact CB-OD1 3.27Å; S89-D195 WeakPolarHBondContact CB-OD1 3.47Å; S89-D195 WeakPolarHBondContact OG-CB 3.18Å; S89-D195 PolarHBondContact OG-OD1 3.13Å; P193-D195 VanDerWaalsContact C-N 3.31Å; P193-D195 WeakPolarHBondContact CB-OD1 3.23Å; P193-D195 PolarHBondContact O-N 3.21Å; D195-P199 WeakPolarHBondContact O-CD 3.31Å; D195-P199 WeakPolarHBondContact O-CG 3.45Å
196	F	94.4	Very high	92.6	Very high	43 Å²	43	55 Å²	55	19%	0.189	29%	0.289	C	S	.	.	H	α-helix	trans	-75.9	-37.8	170.5	-174.7	-91.7	0	0	0	111.9	L152 L154 W165 T192 P193 E194 L200	L152-F196 HydrophobicContact CB-CE2 4.28Å; L152-F196 HydrophobicContact CB-CZ 4.01Å; L154-F196 HydrophobicContact CD2-CB 4.49Å; L154-F196 HydrophobicContact CD2-CD1 3.83Å; L154-F196 HydrophobicContact CD2-CD2 3.93Å; L154-F196 HydrophobicContact CD2-CE1 3.96Å; L154-F196 HydrophobicContact CD2-CE2 4.05Å; L154-F196 HydrophobicContact CD2-CG 3.81Å; L154-F196 HydrophobicContact CD2-CZ 4.06Å; W165-F196 AromaticContact CD2-CE1 3.72Å; W165-F196 HydrophobicContact CD2-CE1 3.72Å; W165-F196 HydrophobicContact CD2-CZ 4.05Å; W165-F196 AromaticContact CE2-CE1 3.86Å; W165-F196 AromaticContact CE2-CZ 3.82Å; W165-F196 AromaticContact CE3-CE1 3.76Å; W165-F196 HydrophobicContact CE3-CE1 3.76Å; W165-F196 HydrophobicContact CG-CE1 4.37Å; W165-F196 HydrophobicContact CG-CZ 4.46Å; W165-F196 HydrophobicContact CH2-CE1 4.08Å; W165-F196 HydrophobicContact CZ2-CE1 4.04Å; W165-F196 HydrophobicContact CZ2-CZ 4.11Å; W165-F196 AromaticContact CZ3-CE1 3.95Å; W165-F196 HydrophobicContact CZ3-CE1 3.95Å; T192-F196 HydrophobicContact CG2-CD1 4.16Å; T192-F196 HydrophobicContact CG2-CE1 4.48Å; P193-F196 WeakPolarHBondContact O-CB 3.25Å; P193-F196 PolarHBondContact O-N 2.8Å; P193-F196 VanDerWaalsContact O-N 3.09Å; E194-F196 VanDerWaalsContact C-N 3.25Å; E194-F196 PolarHBondContact O-N 3.21Å; F196-L200 HydrophobicContact CD1-CD1 3.88Å; F196-L200 HydrophobicContact CE1-CD1 3.61Å; F196-L200 HydrophobicContact CZ-CD1 4.28Å; F196-L200 VanDerWaalsContact O-CD1 3.29Å; F196-L200 WeakPolarHBondContact O-CD1 3.48Å; F196-L200 WeakPolarHBondContact O-CG 3.42Å
197	V	95.3	Very high	93.1	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-77.7	-44.8	-174.9	179.3	0	0	0	0	112.1	C169 I173 V181 T192 P193 E194 L200 L201 Y210	C169-V197 HydrophobicContact CB-CG1 4.19Å; I173-V197 HydrophobicContact CD1-CG1 4.03Å; V181-V197 HydrophobicContact CG1-CG2 4.31Å; T192-V197 WeakPolarHBondContact OG1-CG2 3.49Å; P193-V197 PolarHBondContact O-N 2.93Å; E194-V197 PolarHBondContact O-N 3.33Å; E194-V197 VanDerWaalsContact O-N 3.11Å; V197-L200 WeakPolarHBondContact O-CB 3.12Å; V197-L200 PolarHBondContact O-N 3.36Å; V197-L201 HydrophobicContact CG1-CD1 4.32Å; V197-L201 HydrophobicContact CG1-CD2 4.1Å; V197-L201 HydrophobicContact CG1-CG 4.28Å; V197-Y210 HydrophobicContact CB-CE1 3.7Å; V197-Y210 HydrophobicContact CG1-CD1 4.05Å; V197-Y210 HydrophobicContact CG1-CE1 3.53Å; V197-Y210 HydrophobicContact CG1-CE2 4.34Å
198	F	95.4	Very high	93.5	Very high	49 Å²	49	46.8 Å²	46.8	22%	0.215	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-53	-44.3	-174.8	-81.3	-62.8	0	0	0	114.8	E194 L200 L201 R207 Y210 R211 L214	E194-F198 HydrophobicContact CB-CD2 4.16Å; E194-F198 HydrophobicContact CB-CE2 3.83Å; E194-F198 HydrophobicContact CG-CE2 4.25Å; E194-F198 WeakPolarHBondContact O-CD2 3.32Å; E194-F198 PolarHBondContact O-N 3.05Å; F198-L200 PolarHBondContact O-N 3.02Å; F198-L201 HydrophobicContact CD1-CD1 4.45Å; F198-L201 PolarHBondContact O-N 2.94Å; F198-R207 HydrophobicContact CD1-CG 4.35Å; F198-Y210 HydrophobicContact CD1-CD1 4.05Å; F198-Y210 AromaticContact CE1-CD1 3.65Å; F198-Y210 HydrophobicContact CE1-CD1 3.65Å; F198-Y210 HydrophobicContact CE1-CE1 4.33Å; F198-Y210 HydrophobicContact CE2-CD1 4.37Å; F198-Y210 HydrophobicContact CE2-CE1 4.27Å; F198-Y210 AromaticContact CZ-CD1 3.81Å; F198-Y210 HydrophobicContact CZ-CD1 3.81Å; F198-Y210 HydrophobicContact CZ-CE1 4.16Å; F198-R211 HydrophobicContact CE1-CG 3.77Å; F198-R211 HydrophobicContact CZ-CG 3.73Å; F198-L214 HydrophobicContact CE2-CD1 4.25Å; F198-L214 HydrophobicContact CZ-CD1 4.04Å
199	P	94.9	Very high	93.7	Very high	82 Å²	82	49.1 Å²	49.1	53%	0.532	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-67	-15.6	178.2	-22	34.8	0	0	0	114.7	R162 D195	R162-P199 PolarHBondContact NH2-O 2.68Å; D195-P199 WeakPolarHBondContact O-CD 3.31Å; D195-P199 WeakPolarHBondContact O-CG 3.45Å
200	L	94.1	Very high	94.1	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.021	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-93.5	-4.6	-179.9	-59.6	168.7	0	0	0	112.6	L152 R162 W165 E166 F196 V197 F198	L152-L200 HydrophobicContact CD1-CD2 3.71Å; R162-L200 HydrophobicContact CG-CD2 4.03Å; W165-L200 HydrophobicContact CB-CD1 3.84Å; W165-L200 HydrophobicContact CB-CD2 4.17Å; W165-L200 HydrophobicContact CG-CD1 4.3Å; E166-L200 HydrophobicContact CG-CB 4.15Å; E166-L200 HydrophobicContact CG-CD2 4.15Å; E166-L200 VanDerWaalsContact CG-O 3.3Å; E166-L200 WeakPolarHBondContact CG-O 3.26Å; F196-L200 HydrophobicContact CD1-CD1 3.88Å; F196-L200 HydrophobicContact CE1-CD1 3.61Å; F196-L200 HydrophobicContact CZ-CD1 4.28Å; F196-L200 VanDerWaalsContact O-CD1 3.29Å; F196-L200 WeakPolarHBondContact O-CD1 3.48Å; F196-L200 WeakPolarHBondContact O-CG 3.42Å; V197-L200 WeakPolarHBondContact O-CB 3.12Å; V197-L200 PolarHBondContact O-N 3.36Å; F198-L200 PolarHBondContact O-N 3.02Å
201	L	94.3	Very high	94.2	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.021	24%	0.24	C	C	.	.			trans	-87.6	123.7	-179.4	-58	-175.8	0	0	0	110.3	C169 I173 V197 F198 N203 R207 Y210	C169-L201 HydrophobicContact CB-CD2 4.02Å; I173-L201 HydrophobicContact CD1-CD1 3.74Å; I173-L201 HydrophobicContact CD1-CD2 3.32Å; I173-L201 HydrophobicContact CD1-CG 4.18Å; V197-L201 HydrophobicContact CG1-CD1 4.32Å; V197-L201 HydrophobicContact CG1-CD2 4.1Å; V197-L201 HydrophobicContact CG1-CG 4.28Å; F198-L201 HydrophobicContact CD1-CD1 4.45Å; F198-L201 PolarHBondContact O-N 2.94Å; L201-N203 PolarHBondContact O-N 2.67Å; L201-R207 HydrophobicContact CB-CG 3.6Å; L201-R207 HydrophobicContact CD1-CB 4.47Å; L201-R207 HydrophobicContact CD1-CG 3.86Å; L201-R207 HydrophobicContact CG-CG 4.32Å; L201-R207 PolarHBondContact O-NH1 3.41Å; L201-Y210 HydrophobicContact CD1-CD1 3.9Å; L201-Y210 HydrophobicContact CD1-CG 4.14Å
202	P	89.6	Confident	94.1	Very high	85 Å²	85	53.9 Å²	53.9	55%	0.552	26%	0.257	S	S	*	.			trans	-74.3	-29.8	-167.6	27.7	-35.1	0	0	0	113.5	L206	P202-L206 HydrophobicContact CG-CD1 4.02Å
203	N	93.4	Very high	94.1	Very high	66 Å²	66	56.4 Å²	56.4	35%	0.353	27%	0.267	S	S	.	.	S	Bend	trans	-131.1	159.5	-175.1	63.8	24.4	0	0	0	112.2	L201 E205 L206 R207	L201-N203 PolarHBondContact O-N 2.67Å; N203-E205 VanDerWaalsContact C-N 3.3Å; N203-E205 PolarHBondContact O-N 3.3Å; N203-L206 WeakPolarHBondContact OD1-CB 3.49Å; N203-L206 WeakPolarHBondContact OD1-CD1 3.47Å; N203-L206 WeakPolarHBondContact OD1-CG 3.35Å; N203-L206 PolarHBondContact OD1-N 2.73Å; N203-R207 PolarHBondContact O-N 3.03Å
204	E	94.5	Very high	94.2	Very high	93 Å²	93	55.8 Å²	55.8	44%	0.435	26%	0.263	S	S	.	.	H	α-helix	trans	-68.4	-30.7	-179.3	-166.2	59.1	-146	0	0	112.3	L206 R207 E208 R211	E204-L206 PolarHBondContact O-N 3.19Å; E204-R207 WeakPolarHBondContact O-CB 3.45Å; E204-R207 PolarHBondContact O-N 3.33Å; E204-R207 IonicContact OE2-CZ 3.61Å; E204-R207 IonicContact OE2-NE 3.53Å; E204-R207 PolarHBondContact OE2-NE 3.46Å; E204-R207 IonicContact OE2-NH2 3.64Å; E204-R207 PolarHBondContact OE2-NH2 3.39Å; E204-E208 PolarHBondContact O-N 3.43Å; E204-R211 IonicContact OE1-CZ 3.49Å; E204-R211 IonicContact OE1-NH1 3.06Å; E204-R211 PolarHBondContact OE1-NH1 2.91Å; E204-R211 IonicContact OE1-NH2 3.26Å; E204-R211 PolarHBondContact OE1-NH2 3.18Å; E204-R211 VanDerWaalsContact OE1-NH2 3.13Å
205	E	94.9	Very high	94.2	Very high	117 Å²	117	55.4 Å²	55.4	55%	0.547	26%	0.261	S	S	.	.	H	α-helix	trans	-61.5	-44.4	178.5	-166	-160.7	145.4	0	0	112.2	N203 R207 E208 K209	N203-E205 VanDerWaalsContact C-N 3.3Å; N203-E205 PolarHBondContact O-N 3.3Å; E205-R207 VanDerWaalsContact C-N 3.35Å; E205-E208 PolarHBondContact O-N 3.08Å; E205-K209 WeakPolarHBondContact O-CG 3.49Å; E205-K209 PolarHBondContact O-N 2.97Å; E205-K209 IonicContact OE1-NZ 2.86Å; E205-K209 PolarHBondContact OE1-NZ 2.94Å
206	L	94.3	Very high	94.2	Very high	7 Å²	7	55 Å²	55	4%	0.037	25%	0.254	C	S	.	.	H	α-helix	trans	-68.1	-35.7	174.7	-75.3	170.9	0	0	0	111.7	I173 K174 P202 N203 E204 E208 K209 Y210	I173-L206 HydrophobicContact CG2-CD2 4.19Å; K174-L206 HydrophobicContact CG-CD2 3.92Å; P202-L206 HydrophobicContact CG-CD1 4.02Å; N203-L206 WeakPolarHBondContact OD1-CB 3.49Å; N203-L206 WeakPolarHBondContact OD1-CD1 3.47Å; N203-L206 WeakPolarHBondContact OD1-CG 3.35Å; N203-L206 PolarHBondContact OD1-N 2.73Å; E204-L206 PolarHBondContact O-N 3.19Å; L206-E208 VanDerWaalsContact C-N 3.32Å; L206-E208 PolarHBondContact O-N 3Å; L206-K209 PolarHBondContact O-N 3.31Å; L206-Y210 WeakPolarHBondContact O-CB 3.46Å; L206-Y210 PolarHBondContact O-N 3.46Å
207	R	95.8	Very high	94.2	Very high	70 Å²	70	54.4 Å²	54.4	26%	0.264	25%	0.252	S	S	.	.	H	α-helix	trans	-61.4	-43	174.8	-72.2	-170.9	-74.1	-108	5.8	111.1	F198 L201 N203 E204 E205 Y210 R211	F198-R207 HydrophobicContact CD1-CG 4.35Å; L201-R207 HydrophobicContact CB-CG 3.6Å; L201-R207 HydrophobicContact CD1-CB 4.47Å; L201-R207 HydrophobicContact CD1-CG 3.86Å; L201-R207 HydrophobicContact CG-CG 4.32Å; L201-R207 PolarHBondContact O-NH1 3.41Å; N203-R207 PolarHBondContact O-N 3.03Å; E204-R207 WeakPolarHBondContact O-CB 3.45Å; E204-R207 PolarHBondContact O-N 3.33Å; E204-R207 IonicContact OE2-CZ 3.61Å; E204-R207 IonicContact OE2-NE 3.53Å; E204-R207 PolarHBondContact OE2-NE 3.46Å; E204-R207 IonicContact OE2-NH2 3.64Å; E204-R207 PolarHBondContact OE2-NH2 3.39Å; E205-R207 VanDerWaalsContact C-N 3.35Å; R207-Y210 PolarHBondContact O-N 3.41Å; R207-R211 WeakPolarHBondContact O-CG 3.39Å; R207-R211 PolarHBondContact O-N 2.87Å
208	E	94.5	Very high	94.2	Very high	81 Å²	81	55.1 Å²	55.1	38%	0.379	26%	0.255	S	S	.	.	H	α-helix	trans	-69.3	-41.2	178.2	-170.5	53.5	-149.1	0	0	112.6	E204 E205 L206 Y210 R211 R212	E204-E208 PolarHBondContact O-N 3.43Å; E205-E208 PolarHBondContact O-N 3.08Å; L206-E208 VanDerWaalsContact C-N 3.32Å; L206-E208 PolarHBondContact O-N 3Å; E208-Y210 VanDerWaalsContact C-N 3.3Å; E208-Y210 PolarHBondContact O-N 2.99Å; E208-R211 PolarHBondContact O-N 3.47Å; E208-R211 IonicContact OE2-CZ 2.68Å; E208-R211 IonicContact OE2-NH1 2.65Å; E208-R211 PolarHBondContact OE2-NH1 3.44Å; E208-R212 PolarHBondContact O-N 3.2Å
209	K	94.2	Very high	94.2	Very high	69 Å²	69	52.8 Å²	52.8	30%	0.3	25%	0.245	S	C	.	.	H	α-helix	trans	-57.1	-45.3	170.7	-79.2	173.7	172.6	163.8	0	111.3	I173 E205 L206 R212 Y213	I173-K209 HydrophobicContact CG2-CB 4.31Å; E205-K209 WeakPolarHBondContact O-CG 3.49Å; E205-K209 PolarHBondContact O-N 2.97Å; E205-K209 IonicContact OE1-NZ 2.86Å; E205-K209 PolarHBondContact OE1-NZ 2.94Å; L206-K209 PolarHBondContact O-N 3.31Å; K209-R212 WeakPolarHBondContact O-CB 3.48Å; K209-R212 PolarHBondContact O-N 3.18Å; K209-Y213 HydrophobicContact CB-CE2 4.05Å; K209-Y213 WeakPolarHBondContact O-CD2 3.18Å; K209-Y213 PolarHBondContact O-N 3.37Å
210	Y	96.1	Very high	94.1	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.008	24%	0.236	C	C	.	.	H	α-helix	trans	-63.7	-44.9	178.3	-173.8	-130.9	0	0	0	112.4	I173 V181 E194 V197 F198 L201 L206 R207 E208 R212 Y213 L214	I173-Y210 HydrophobicContact CD1-CD1 4.45Å; I173-Y210 HydrophobicContact CD1-CD2 3.75Å; I173-Y210 HydrophobicContact CD1-CE2 4.35Å; I173-Y210 HydrophobicContact CD1-CG 3.8Å; I173-Y210 HydrophobicContact CG1-CD2 3.69Å; I173-Y210 HydrophobicContact CG1-CE2 4.31Å; I173-Y210 HydrophobicContact CG1-CG 4.2Å; V181-Y210 HydrophobicContact CG2-CE2 4.34Å; E194-Y210 HydrophobicContact CB-CE1 4.23Å; V197-Y210 HydrophobicContact CB-CE1 3.7Å; V197-Y210 HydrophobicContact CG1-CD1 4.05Å; V197-Y210 HydrophobicContact CG1-CE1 3.53Å; V197-Y210 HydrophobicContact CG1-CE2 4.34Å; F198-Y210 HydrophobicContact CD1-CD1 4.05Å; F198-Y210 AromaticContact CE1-CD1 3.65Å; F198-Y210 HydrophobicContact CE1-CD1 3.65Å; F198-Y210 HydrophobicContact CE1-CE1 4.33Å; F198-Y210 HydrophobicContact CE2-CD1 4.37Å; F198-Y210 HydrophobicContact CE2-CE1 4.27Å; F198-Y210 AromaticContact CZ-CD1 3.81Å; F198-Y210 HydrophobicContact CZ-CD1 3.81Å; F198-Y210 HydrophobicContact CZ-CE1 4.16Å; L201-Y210 HydrophobicContact CD1-CD1 3.9Å; L201-Y210 HydrophobicContact CD1-CG 4.14Å; L206-Y210 WeakPolarHBondContact O-CB 3.46Å; L206-Y210 PolarHBondContact O-N 3.46Å; R207-Y210 PolarHBondContact O-N 3.41Å; E208-Y210 VanDerWaalsContact C-N 3.3Å; E208-Y210 PolarHBondContact O-N 2.99Å; Y210-R212 VanDerWaalsContact C-N 3.28Å; Y210-R212 PolarHBondContact O-N 3.4Å; Y210-Y213 PolarHBondContact O-N 2.97Å; Y210-L214 HydrophobicContact CD1-CD1 3.85Å; Y210-L214 HydrophobicContact CD1-CG 4.48Å; Y210-L214 HydrophobicContact CD2-CD1 4.34Å; Y210-L214 HydrophobicContact CD2-CG 4.09Å; Y210-L214 HydrophobicContact CE1-CD1 3.52Å; Y210-L214 HydrophobicContact CE1-CG 4.21Å; Y210-L214 HydrophobicContact CE2-CD1 4.06Å; Y210-L214 HydrophobicContact CE2-CD2 3.84Å; Y210-L214 HydrophobicContact CE2-CG 3.8Å; Y210-L214 HydrophobicContact CG-CD1 4.24Å; Y210-L214 HydrophobicContact CG-CG 4.43Å; Y210-L214 WeakPolarHBondContact O-CB 3.29Å; Y210-L214 VanDerWaalsContact O-CG 3.32Å; Y210-L214 WeakPolarHBondContact O-CG 3.15Å; Y210-L214 PolarHBondContact O-N 3.35Å
211	R	94.3	Very high	94	Very high	87 Å²	87	52.9 Å²	52.9	33%	0.328	24%	0.239	S	C	.	.	H	α-helix	trans	-54.3	-45.2	173.4	-72.6	-179.8	-164	114.7	2.6	111.5	F198 E204 R207 E208 L214 F215	F198-R211 HydrophobicContact CE1-CG 3.77Å; F198-R211 HydrophobicContact CZ-CG 3.73Å; E204-R211 IonicContact OE1-CZ 3.49Å; E204-R211 IonicContact OE1-NH1 3.06Å; E204-R211 PolarHBondContact OE1-NH1 2.91Å; E204-R211 IonicContact OE1-NH2 3.26Å; E204-R211 PolarHBondContact OE1-NH2 3.18Å; E204-R211 VanDerWaalsContact OE1-NH2 3.13Å; R207-R211 WeakPolarHBondContact O-CG 3.39Å; R207-R211 PolarHBondContact O-N 2.87Å; E208-R211 PolarHBondContact O-N 3.47Å; E208-R211 IonicContact OE2-CZ 2.68Å; E208-R211 IonicContact OE2-NH1 2.65Å; E208-R211 PolarHBondContact OE2-NH1 3.44Å; R211-L214 PolarHBondContact O-N 2.99Å; R211-F215 WeakPolarHBondContact O-CB 3.41Å; R211-F215 PolarHBondContact O-N 3.11Å
212	R	92.5	Very high	94.1	Very high	150 Å²	150	53.1 Å²	53.1	57%	0.566	24%	0.241	S	C	*	.	H	α-helix	trans	-63.5	-43.6	178.5	-169.9	175.2	-59.3	149	8.5	112.7	E208 K209 Y210 F215 R216	E208-R212 PolarHBondContact O-N 3.2Å; K209-R212 WeakPolarHBondContact O-CB 3.48Å; K209-R212 PolarHBondContact O-N 3.18Å; Y210-R212 VanDerWaalsContact C-N 3.28Å; Y210-R212 PolarHBondContact O-N 3.4Å; R212-F215 PolarHBondContact O-N 3.01Å; R212-R216 WeakPolarHBondContact O-CB 3.33Å; R212-R216 PolarHBondContact O-N 3.38Å
213	Y	94.3	Very high	94.2	Very high	54 Å²	54	52.8 Å²	52.8	21%	0.212	23%	0.229	C	C	.	.	H	α-helix	trans	-68.2	-39.2	177.6	-61.4	-39	0	0	0	112.4	I173 K209 Y210 R216 D217	I173-Y213 HydrophobicContact CG2-CD2 4.28Å; I173-Y213 HydrophobicContact CG2-CE2 4.27Å; I173-Y213 WeakPolarHBondContact O-CE2 3.25Å; K209-Y213 HydrophobicContact CB-CE2 4.05Å; K209-Y213 WeakPolarHBondContact O-CD2 3.18Å; K209-Y213 PolarHBondContact O-N 3.37Å; Y210-Y213 PolarHBondContact O-N 2.97Å; Y213-R216 PolarHBondContact O-N 3.31Å; Y213-D217 WeakPolarHBondContact O-CB 3.4Å; Y213-D217 PolarHBondContact O-N 3.47Å
214	L	94.5	Very high	94.3	Very high	5 Å²	5	51.8 Å²	51.8	3%	0.026	22%	0.222	C	C	.	.	H	α-helix	trans	-59.9	-51	172.5	-72.2	174.5	0	0	0	111.1	V179 E194 F198 Y210 R211 R216 D217 Y218	V179-L214 HydrophobicContact CB-CD2 4.48Å; V179-L214 HydrophobicContact CG2-CD2 3.68Å; E194-L214 HydrophobicContact CB-CD1 3.84Å; E194-L214 WeakPolarHBondContact OE2-CD1 3.15Å; F198-L214 HydrophobicContact CE2-CD1 4.25Å; F198-L214 HydrophobicContact CZ-CD1 4.04Å; Y210-L214 HydrophobicContact CD1-CD1 3.85Å; Y210-L214 HydrophobicContact CD1-CG 4.48Å; Y210-L214 HydrophobicContact CD2-CD1 4.34Å; Y210-L214 HydrophobicContact CD2-CG 4.09Å; Y210-L214 HydrophobicContact CE1-CD1 3.52Å; Y210-L214 HydrophobicContact CE1-CG 4.21Å; Y210-L214 HydrophobicContact CE2-CD1 4.06Å; Y210-L214 HydrophobicContact CE2-CD2 3.84Å; Y210-L214 HydrophobicContact CE2-CG 3.8Å; Y210-L214 HydrophobicContact CG-CD1 4.24Å; Y210-L214 HydrophobicContact CG-CG 4.43Å; Y210-L214 WeakPolarHBondContact O-CB 3.29Å; Y210-L214 VanDerWaalsContact O-CG 3.32Å; Y210-L214 WeakPolarHBondContact O-CG 3.15Å; Y210-L214 PolarHBondContact O-N 3.35Å; R211-L214 PolarHBondContact O-N 2.99Å; L214-R216 VanDerWaalsContact C-N 3.33Å; L214-R216 PolarHBondContact O-N 2.9Å; L214-D217 PolarHBondContact O-N 2.96Å; L214-D217 VanDerWaalsContact O-N 3.17Å; L214-Y218 HydrophobicContact CB-CE2 3.8Å; L214-Y218 HydrophobicContact CD2-CE1 4.46Å; L214-Y218 WeakPolarHBondContact O-CB 3.46Å; L214-Y218 VanDerWaalsContact O-CD1 3.28Å; L214-Y218 WeakPolarHBondContact O-CD1 3.47Å; L214-Y218 VanDerWaalsContact O-CD2 3.24Å; L214-Y218 WeakPolarHBondContact O-CD2 3.37Å; L214-Y218 PolarHBondContact O-N 3.46Å
215	F	94	Very high	94.3	Very high	17 Å²	17	47.5 Å²	47.5	8%	0.075	20%	0.202	C	C	.	.	H	α-helix	trans	-58.3	-44.3	177.8	178.4	-96.8	0	0	0	112.2	Y66 S69 E70 L73 R211 R212 D217 Y218 V219 L227 V236	Y66-F215 AromaticContact CD2-CD1 3.98Å; Y66-F215 HydrophobicContact CD2-CD1 3.98Å; Y66-F215 HydrophobicContact CD2-CD2 4.18Å; Y66-F215 AromaticContact CD2-CE1 3.71Å; Y66-F215 HydrophobicContact CD2-CE1 3.71Å; Y66-F215 AromaticContact CD2-CE2 3.93Å; Y66-F215 HydrophobicContact CD2-CE2 3.93Å; Y66-F215 HydrophobicContact CD2-CG 4.2Å; Y66-F215 AromaticContact CD2-CZ 3.68Å; Y66-F215 HydrophobicContact CD2-CZ 3.68Å; Y66-F215 HydrophobicContact CE2-CB 4.17Å; Y66-F215 AromaticContact CE2-CD1 3.71Å; Y66-F215 HydrophobicContact CE2-CD1 3.71Å; Y66-F215 AromaticContact CE2-CD2 3.59Å; Y66-F215 HydrophobicContact CE2-CD2 3.59Å; Y66-F215 AromaticContact CE2-CE1 3.92Å; Y66-F215 HydrophobicContact CE2-CE1 3.92Å; Y66-F215 AromaticContact CE2-CE2 3.81Å; Y66-F215 HydrophobicContact CE2-CE2 3.81Å; Y66-F215 AromaticContact CE2-CG 3.53Å; Y66-F215 HydrophobicContact CE2-CG 3.53Å; Y66-F215 AromaticContact CE2-CZ 3.96Å; Y66-F215 HydrophobicContact CE2-CZ 3.96Å; Y66-F215 HydrophobicContact CG-CZ 4.49Å; S69-F215 VanDerWaalsContact OG-CZ 3.3Å; S69-F215 WeakPolarHBondContact OG-CZ 3.47Å; E70-F215 HydrophobicContact CB-CE2 4.41Å; L73-F215 HydrophobicContact CD1-CE2 4.31Å; R211-F215 WeakPolarHBondContact O-CB 3.41Å; R211-F215 PolarHBondContact O-N 3.11Å; R212-F215 PolarHBondContact O-N 3.01Å; F215-D217 PolarHBondContact O-N 3.36Å; F215-Y218 WeakPolarHBondContact O-CB 3.45Å; F215-Y218 PolarHBondContact O-N 3.29Å; F215-V219 HydrophobicContact CD1-CG2 4.28Å; F215-V219 HydrophobicContact CD2-CG2 4.44Å; F215-V219 HydrophobicContact CE1-CG2 3.83Å; F215-V219 HydrophobicContact CE2-CG2 4Å; F215-V219 HydrophobicContact CZ-CG2 3.68Å; F215-V219 WeakPolarHBondContact O-CG2 3.12Å; F215-V219 PolarHBondContact O-N 3.49Å; F215-L227 HydrophobicContact CE1-CD2 4.15Å; F215-V236 HydrophobicContact CE1-CG2 4.21Å; F215-V236 HydrophobicContact CZ-CG2 3.94Å
216	R	93.4	Very high	94.3	Very high	71 Å²	71	43.1 Å²	43.1	27%	0.268	18%	0.182	S	C	.	.	H	α-helix	trans	-55.4	-52.8	173.6	177.2	-160.2	64.3	-154.9	-5.3	110.8	G176 R212 Y213 L214 Y218 V219 E220 L227	G176-R216 PolarHBondContact O-NH1 3.17Å; G176-R216 PolarHBondContact O-NH2 3Å; R212-R216 WeakPolarHBondContact O-CB 3.33Å; R212-R216 PolarHBondContact O-N 3.38Å; Y213-R216 PolarHBondContact O-N 3.31Å; L214-R216 VanDerWaalsContact C-N 3.33Å; L214-R216 PolarHBondContact O-N 2.9Å; R216-Y218 VanDerWaalsContact C-N 3.27Å; R216-Y218 PolarHBondContact O-N 3.33Å; R216-V219 PolarHBondContact O-N 3.4Å; R216-E220 HydrophobicContact CG-CG 4.16Å; R216-E220 WeakPolarHBondContact O-CB 3.33Å; R216-E220 WeakPolarHBondContact O-CG 3.41Å; R216-E220 PolarHBondContact O-N 3.33Å; R216-L227 HydrophobicContact CB-CD1 4.23Å; R216-L227 HydrophobicContact CG-CD1 3.73Å
217	D	94.3	Very high	94.4	Very high	29 Å²	29	44.3 Å²	44.3	16%	0.155	19%	0.188	C	C	.	.	H	α-helix	trans	-63.5	-34.4	-178	-64.6	-3	0	0	0	111.5	G178 V179 Y213 L214 F215 S221	G178-D217 VanDerWaalsContact CA-OD2 3.25Å; G178-D217 WeakPolarHBondContact CA-OD2 3.17Å; G178-D217 PolarHBondContact N-OD2 3.39Å; V179-D217 HydrophobicContact CB-CB 4.21Å; V179-D217 HydrophobicContact CG2-CB 3.66Å; V179-D217 PolarHBondContact N-OD2 2.89Å; Y213-D217 WeakPolarHBondContact O-CB 3.4Å; Y213-D217 PolarHBondContact O-N 3.47Å; L214-D217 PolarHBondContact O-N 2.96Å; L214-D217 VanDerWaalsContact O-N 3.17Å; F215-D217 PolarHBondContact O-N 3.36Å; D217-S221 VanDerWaalsContact O-CB 3.23Å; D217-S221 WeakPolarHBondContact O-CB 3.19Å; D217-S221 PolarHBondContact O-N 3.08Å; D217-S221 PolarHBondContact O-OG 3.42Å
218	Y	95.2	Very high	94.3	Very high	16 Å²	16	41.5 Å²	41.5	6%	0.063	18%	0.179	C	C	.	.	H	α-helix	trans	-64	-49.7	174.3	-60.6	-22.1	0	0	0	111.6	K92 V96 W100 V179 E194 L214 F215 R216 S221 H222	K92-Y218 HydrophobicContact CB-CE1 4.18Å; K92-Y218 HydrophobicContact CD-CE1 4.28Å; K92-Y218 HydrophobicContact CD-CE2 3.82Å; K92-Y218 WeakPolarHBondContact CD-OH 3.33Å; V96-Y218 HydrophobicContact CG2-CD1 3.47Å; V96-Y218 VanDerWaalsContact CG2-CD1 3.47Å; V96-Y218 HydrophobicContact CG2-CE1 3.89Å; W100-Y218 HydrophobicContact CZ2-CD1 4.3Å; W100-Y218 HydrophobicContact CZ2-CG 4.21Å; W100-Y218 PolarHBondContact NE1-O 2.97Å; W100-Y218 VanDerWaalsContact NE1-O 3.16Å; V179-Y218 HydrophobicContact CG2-CD1 3.89Å; V179-Y218 HydrophobicContact CG2-CE1 3.4Å; V179-Y218 VanDerWaalsContact CG2-CE1 3.4Å; E194-Y218 PolarHBondContact OE2-OH 3.36Å; L214-Y218 HydrophobicContact CB-CE2 3.8Å; L214-Y218 HydrophobicContact CD2-CE1 4.46Å; L214-Y218 WeakPolarHBondContact O-CB 3.46Å; L214-Y218 VanDerWaalsContact O-CD1 3.28Å; L214-Y218 WeakPolarHBondContact O-CD1 3.47Å; L214-Y218 VanDerWaalsContact O-CD2 3.24Å; L214-Y218 WeakPolarHBondContact O-CD2 3.37Å; L214-Y218 PolarHBondContact O-N 3.46Å; F215-Y218 WeakPolarHBondContact O-CB 3.45Å; F215-Y218 PolarHBondContact O-N 3.29Å; R216-Y218 VanDerWaalsContact C-N 3.27Å; R216-Y218 PolarHBondContact O-N 3.33Å; Y218-S221 PolarHBondContact O-OG 2.99Å; Y218-H222 WeakPolarHBondContact O-CB 3.33Å; Y218-H222 PolarHBondContact O-N 3.23Å
219	V	94.9	Very high	94.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-67	-46	179.2	175.2	0	0	0	0	111.2	L73 F215 R216 S221 H222 L225 L227 V236	L73-V219 HydrophobicContact CD1-CG2 4.14Å; F215-V219 HydrophobicContact CD1-CG2 4.28Å; F215-V219 HydrophobicContact CD2-CG2 4.44Å; F215-V219 HydrophobicContact CE1-CG2 3.83Å; F215-V219 HydrophobicContact CE2-CG2 4Å; F215-V219 HydrophobicContact CZ-CG2 3.68Å; F215-V219 WeakPolarHBondContact O-CG2 3.12Å; F215-V219 PolarHBondContact O-N 3.49Å; R216-V219 PolarHBondContact O-N 3.4Å; V219-S221 VanDerWaalsContact C-N 3.29Å; V219-S221 PolarHBondContact O-N 3.15Å; V219-H222 WeakPolarHBondContact O-CB 3.16Å; V219-H222 PolarHBondContact O-N 3.49Å; V219-H222 VanDerWaalsContact O-N 3.1Å; V219-L225 HydrophobicContact CG1-CB 3.92Å; V219-L227 HydrophobicContact CB-CD2 4.34Å; V219-L227 HydrophobicContact CB-CG 4.22Å; V219-L227 HydrophobicContact CG1-CD2 4.05Å; V219-L227 HydrophobicContact CG1-CG 3.76Å; V219-V236 HydrophobicContact CG1-CG1 3.77Å; V219-V236 HydrophobicContact CG1-CG2 4.25Å; V219-V236 HydrophobicContact CG2-CG2 4.18Å
220	E	92.4	Very high	94.2	Very high	73 Å²	73	37.8 Å²	37.8	34%	0.341	17%	0.17	S	C	.	.	H	α-helix	trans	-66.8	-29	-178.2	-72.4	-174.6	160.6	0	0	113.3	R216 L227 R261	R216-E220 HydrophobicContact CG-CG 4.16Å; R216-E220 WeakPolarHBondContact O-CB 3.33Å; R216-E220 WeakPolarHBondContact O-CG 3.41Å; R216-E220 PolarHBondContact O-N 3.33Å; E220-L227 HydrophobicContact CG-CD1 4.14Å; E220-R261 IonicContact OE1-CZ 2.82Å; E220-R261 IonicContact OE1-NH1 2.73Å; E220-R261 PolarHBondContact OE1-NH1 3.21Å; E220-R261 IonicContact OE1-NH2 2.75Å; E220-R261 PolarHBondContact OE1-NH2 3.33Å
221	S	93.6	Very high	94	Very high	14 Å²	14	42.2 Å²	42.2	10%	0.098	21%	0.208	C	C	.	.	H	α-helix	trans	-80	-17.9	174.1	57.7	0	0	0	0	113.2	H99 W100 D217 Y218 V219	H99-S221 CarbonylContact C-O 3.59Å; H99-S221 VanDerWaalsContact CA-O 3.25Å; H99-S221 WeakPolarHBondContact CA-O 3.34Å; H99-S221 WeakPolarHBondContact CB-O 3.46Å; H99-S221 PolarHBondContact ND1-O 3.39Å; W100-S221 PolarHBondContact NE1-OG 3.16Å; D217-S221 VanDerWaalsContact O-CB 3.23Å; D217-S221 WeakPolarHBondContact O-CB 3.19Å; D217-S221 PolarHBondContact O-N 3.08Å; D217-S221 PolarHBondContact O-OG 3.42Å; Y218-S221 PolarHBondContact O-OG 2.99Å; V219-S221 VanDerWaalsContact C-N 3.29Å; V219-S221 PolarHBondContact O-N 3.15Å
222	H	94.9	Very high	93.7	Very high	10 Å²	10	45.8 Å²	45.8	5%	0.046	23%	0.233	C	C	.	.			trans	-79	121.5	-177.2	-165.6	-64.1	0	0	0	111.4	W100 Y218 V219 Q224 L225	W100-H222 VanDerWaalsContact CD1-CA 3.41Å; W100-H222 AromaticContact CD1-CD2 3.99Å; W100-H222 HydrophobicContact CD2-CB 4.47Å; W100-H222 AromaticContact CD2-CD2 3.48Å; W100-H222 VanDerWaalsContact CD2-CD2 3.48Å; W100-H222 AromaticContact CE3-CD2 3.74Å; W100-H222 HydrophobicContact CG-CB 4.01Å; W100-H222 AromaticContact CG-CD2 3.39Å; W100-H222 AromaticContact CG-CG 3.88Å; Y218-H222 WeakPolarHBondContact O-CB 3.33Å; Y218-H222 PolarHBondContact O-N 3.23Å; V219-H222 WeakPolarHBondContact O-CB 3.16Å; V219-H222 PolarHBondContact O-N 3.49Å; V219-H222 VanDerWaalsContact O-N 3.1Å; H222-Q224 VanDerWaalsContact C-N 3.28Å; H222-Q224 PolarHBondContact ND1-N 3.43Å; H222-Q224 VanDerWaalsContact ND1-N 3.1Å; H222-Q224 PolarHBondContact O-N 3.46Å; H222-L225 HydrophobicContact CB-CB 4Å; H222-L225 HydrophobicContact CB-CD1 4.04Å; H222-L225 HydrophobicContact CB-CG 4.09Å; H222-L225 PolarHBondContact O-N 2.96Å; H222-L225 VanDerWaalsContact O-O 3.09Å
223	Y	92.9	Very high	93.7	Very high	78 Å²	78	39.5 Å²	39.5	31%	0.306	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-33	-175.6	69.7	-72	0	0	0	114.5	H99 W100 Q101 P242	H99-Y223 VanDerWaalsContact O-CD1 3.31Å; H99-Y223 WeakPolarHBondContact O-CD1 3.32Å; W100-Y223 HydrophobicContact CB-CD1 4.3Å; W100-Y223 HydrophobicContact CB-CE1 4.44Å; Q101-Y223 VanDerWaalsContact NE2-CD2 3.3Å; Y223-P242 HydrophobicContact CD2-CG 4.24Å; Y223-P242 WeakPolarHBondContact O-CB 3.48Å
224	Q	94.6	Very high	93.6	Very high	44 Å²	44	39.5 Å²	39.5	21%	0.206	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-1.7	178.5	-73.5	169.5	-35.4	0	0	115.8	H222 R238 V239 Q240	H222-Q224 VanDerWaalsContact C-N 3.28Å; H222-Q224 PolarHBondContact ND1-N 3.43Å; H222-Q224 VanDerWaalsContact ND1-N 3.1Å; H222-Q224 PolarHBondContact O-N 3.46Å; Q224-R238 VanDerWaalsContact O-CA 3.31Å; Q224-R238 WeakPolarHBondContact O-CA 3.32Å; Q224-V239 VanDerWaalsContact CB-O 3.24Å; Q224-V239 WeakPolarHBondContact CB-O 3.47Å; Q224-V239 WeakPolarHBondContact CG-O 3.46Å; Q224-V239 PolarHBondContact O-N 3.24Å; Q224-Q240 PolarHBondContact NE2-O 3.47Å
225	L	95.5	Very high	93.6	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	147.6	-177.5	-54.9	175.9	0	0	0	111.1	L64 L73 V219 H222 V236 I237 R238	L64-L225 HydrophobicContact CD1-CD2 4.29Å; L73-L225 HydrophobicContact CD2-CD1 3.83Å; L73-L225 HydrophobicContact CG-CD1 4.2Å; V219-L225 HydrophobicContact CG1-CB 3.92Å; H222-L225 HydrophobicContact CB-CB 4Å; H222-L225 HydrophobicContact CB-CD1 4.04Å; H222-L225 HydrophobicContact CB-CG 4.09Å; H222-L225 PolarHBondContact O-N 2.96Å; H222-L225 VanDerWaalsContact O-O 3.09Å; L225-V236 HydrophobicContact CB-CG1 3.88Å; L225-V236 HydrophobicContact CD2-CG1 4.11Å; L225-V236 HydrophobicContact CG-CG1 4.39Å; L225-I237 CarbonylContact C-O 3.14Å; L225-I237 WeakPolarHBondContact CA-O 3.36Å; L225-R238 HydrophobicContact CD2-CB 3.52Å; L225-R238 HydrophobicContact CD2-CG 3.68Å
226	Q	95.1	Very high	93.7	Very high	25 Å²	25	39 Å²	39	12%	0.117	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	141.1	172.1	-76.2	-63.3	-42.3	0	0	111.2	V236 I237 F258 R261	Q226-V236 CarbonylContact O-C 3.45Å; Q226-V236 WeakPolarHBondContact O-CA 3.47Å; Q226-I237 PolarHBondContact N-O 3.28Å; Q226-I237 PolarHBondContact O-N 3.4Å; Q226-F258 HydrophobicContact CB-CD2 3.91Å; Q226-F258 HydrophobicContact CB-CE2 3.6Å; Q226-F258 HydrophobicContact CB-CZ 4.21Å; Q226-F258 HydrophobicContact CG-CD1 4.34Å; Q226-F258 HydrophobicContact CG-CD2 3.73Å; Q226-F258 HydrophobicContact CG-CE1 4.02Å; Q226-F258 HydrophobicContact CG-CE2 3.38Å; Q226-F258 HydrophobicContact CG-CG 4.19Å; Q226-F258 HydrophobicContact CG-CZ 3.53Å; Q226-F258 WeakPolarHBondContact CG-O 3.49Å; Q226-R261 VanDerWaalsContact OE1-CD 3.27Å
227	L	94.7	Very high	93.9	Very high	32 Å²	32	35.6 Å²	35.6	17%	0.168	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	140.8	171.1	-68.5	165.4	0	0	0	110.2	F215 R216 V219 E220 V236	F215-L227 HydrophobicContact CE1-CD2 4.15Å; R216-L227 HydrophobicContact CB-CD1 4.23Å; R216-L227 HydrophobicContact CG-CD1 3.73Å; V219-L227 HydrophobicContact CB-CD2 4.34Å; V219-L227 HydrophobicContact CB-CG 4.22Å; V219-L227 HydrophobicContact CG1-CD2 4.05Å; V219-L227 HydrophobicContact CG1-CG 3.76Å; E220-L227 HydrophobicContact CG-CD1 4.14Å; L227-V236 HydrophobicContact CD2-CG2 4Å
228	C	94.9	Very high	94	Very high	10 Å²	10	39.3 Å²	39.3	7%	0.068	22%	0.216	C	C	.	.			trans	-62.1	130.9	168.2	-178.9	0	0	0	0	110.1	G230 C233 M235 C249 C252	C228-G230 VanDerWaalsContact C-N 3.28Å; C228-G230 PolarHBondContact O-N 3.49Å; C228-G230 PolarHBondContact SG-N 2.87Å; C228-C233 HydrophobicContact CB-CB 4.21Å; C228-C233 VanDerWaalsContact SG-SG 3.69Å; C228-M235 HydrophobicContact CB-CB 4.24Å; C228-M235 VanDerWaalsContact CB-O 3.26Å; C228-M235 WeakPolarHBondContact CB-O 3.49Å; C228-M235 PolarHBondContact N-O 3.35Å; C228-C249 VanDerWaalsContact SG-SG 3.69Å; C228-C252 PolarHBondContact SG-SG 2.86Å
229	P	94.6	Very high	94	Very high	61 Å²	61	38.8 Å²	38.8	40%	0.396	21%	0.214	S	C	.	.			trans	-78.6	-10.8	178.4	31.5	-33.7	0	0	0	113.4	E254 F256	P229-E254 HydrophobicContact CG-CG 4.03Å; P229-F256 VanDerWaalsContact CD-CD1 3.44Å; P229-F256 VanDerWaalsContact CD-CZ 3.49Å; P229-F256 HydrophobicContact CG-CB 3.95Å; P229-F256 HydrophobicContact CG-CD1 3.7Å; P229-F256 HydrophobicContact CG-CD2 4.05Å; P229-F256 HydrophobicContact CG-CE1 4.15Å; P229-F256 HydrophobicContact CG-CE2 4.45Å; P229-F256 HydrophobicContact CG-CG 3.64Å; P229-F256 HydrophobicContact CG-CZ 4.47Å
230	G	92.5	Very high	93.7	Very high	11 Å²	11	45.3 Å²	45.3	11%	0.113	24%	0.244	C	C	.	.	S	Bend	trans	-58	141.1	178.3	0	0	0	0	0	112.7	C228 D232 C233	C228-G230 VanDerWaalsContact C-N 3.28Å; C228-G230 PolarHBondContact O-N 3.49Å; C228-G230 PolarHBondContact SG-N 2.87Å; G230-D232 PolarHBondContact O-N 3.42Å; G230-C233 VanDerWaalsContact O-CB 3.31Å; G230-C233 WeakPolarHBondContact O-CB 3.49Å; G230-C233 PolarHBondContact O-N 3.33Å; G230-C233 VanDerWaalsContact O-N 3.14Å
231	A	91.5	Very high	93.6	Very high	96 Å²	96	46.9 Å²	46.9	79%	0.793	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	127.8	-178.5	0	0	0	0	0	111.3	C233	A231-C233 PolarHBondContact O-N 3.43Å
232	D	88.1	Confident	93.5	Very high	162 Å²	162	49.3 Å²	49.3	87%	0.866	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	26.8	-179.6	-58.8	-46	0	0	0	114.8	G230 P234	G230-D232 PolarHBondContact O-N 3.42Å; D232-P234 WeakPolarHBondContact O-CD 3.33Å
233	C	92.5	Very high	93.3	Very high	17 Å²	17	54.6 Å²	54.6	12%	0.115	29%	0.287	C	S	.	.			trans	-92.8	113.5	178.6	-165.6	0	0	0	0	111.2	C228 G230 A231 M235 C249 C252	C228-C233 HydrophobicContact CB-CB 4.21Å; C228-C233 VanDerWaalsContact SG-SG 3.69Å; G230-C233 VanDerWaalsContact O-CB 3.31Å; G230-C233 WeakPolarHBondContact O-CB 3.49Å; G230-C233 PolarHBondContact O-N 3.33Å; G230-C233 VanDerWaalsContact O-N 3.14Å; A231-C233 PolarHBondContact O-N 3.43Å; C233-M235 PolarHBondContact O-N 3.5Å; C233-C249 VanDerWaalsContact SG-SG 3.65Å; C233-C252 HydrophobicContact CB-CB 4.47Å
234	P	91	Very high	93.2	Very high	54 Å²	54	52.3 Å²	52.3	35%	0.351	28%	0.284	S	S	.	.			trans	-86	13.7	-177.9	37	-37.7	0	0	0	113.4	D232 R251	D232-P234 WeakPolarHBondContact O-CD 3.33Å; P234-R251 VanDerWaalsContact CD-NH1 3.26Å
235	M	95.3	Very high	93	Very high	12 Å²	12	51.6 Å²	51.6	6%	0.059	28%	0.28	C	S	.	.			trans	-79.1	142.7	-177.1	-64.3	-55.2	-66.6	0	0	111.3	C63 L64 T65 C228 C233 R251	C63-M235 HydrophobicContact CB-CE 3.78Å; L64-M235 VanDerWaalsContact C-CE 3.44Å; L64-M235 VanDerWaalsContact O-CE 3.29Å; L64-M235 WeakPolarHBondContact O-CE 3.17Å; T65-M235 HydrophobicContact CG2-CE 4.35Å; T65-M235 HydrophobicContact CG2-SD 4.34Å; C228-M235 HydrophobicContact CB-CB 4.24Å; C228-M235 VanDerWaalsContact CB-O 3.26Å; C228-M235 WeakPolarHBondContact CB-O 3.49Å; C228-M235 PolarHBondContact N-O 3.35Å; C233-M235 PolarHBondContact O-N 3.5Å; M235-R251 HydrophobicContact CG-CB 3.7Å; M235-R251 HydrophobicContact CG-CG 4.44Å; M235-R251 HydrophobicContact SD-CB 4.42Å
236	V	96.8	Very high	92.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.1	174.3	179.4	0	0	0	0	108.7	L64 F215 V219 L225 Q226 L227	L64-V236 HydrophobicContact CB-CB 4.43Å; L64-V236 PolarHBondContact N-O 2.72Å; L64-V236 PolarHBondContact O-N 2.94Å; F215-V236 HydrophobicContact CE1-CG2 4.21Å; F215-V236 HydrophobicContact CZ-CG2 3.94Å; V219-V236 HydrophobicContact CG1-CG1 3.77Å; V219-V236 HydrophobicContact CG1-CG2 4.25Å; V219-V236 HydrophobicContact CG2-CG2 4.18Å; L225-V236 HydrophobicContact CB-CG1 3.88Å; L225-V236 HydrophobicContact CD2-CG1 4.11Å; L225-V236 HydrophobicContact CG-CG1 4.39Å; Q226-V236 CarbonylContact O-C 3.45Å; Q226-V236 WeakPolarHBondContact O-CA 3.47Å; L227-V236 HydrophobicContact CD2-CG2 4Å
237	I	96.7	Very high	92.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	128.7	173.5	-52.9	-54.8	0	0	0	108.7	F61 C63 L225 Q226 V239 V247 F256 F258	F61-I237 HydrophobicContact CB-CG2 4Å; F61-I237 HydrophobicContact CD2-CG2 4.03Å; F61-I237 HydrophobicContact CG-CG2 4.29Å; C63-I237 HydrophobicContact CB-CD1 4.28Å; C63-I237 WeakPolarHBondContact SG-CD1 3.42Å; L225-I237 CarbonylContact C-O 3.14Å; L225-I237 WeakPolarHBondContact CA-O 3.36Å; Q226-I237 PolarHBondContact N-O 3.28Å; Q226-I237 PolarHBondContact O-N 3.4Å; I237-V239 HydrophobicContact CG2-CG1 4.35Å; I237-V247 HydrophobicContact CG2-CB 4.11Å; I237-V247 HydrophobicContact CG2-CG1 4.05Å; I237-V247 HydrophobicContact CG2-CG2 4.38Å; I237-F256 HydrophobicContact CG1-CE1 4.18Å; I237-F256 HydrophobicContact CG1-CZ 3.6Å; I237-F258 HydrophobicContact CG2-CD2 4.19Å; I237-F258 HydrophobicContact CG2-CE2 4.42Å
238	R	96.1	Very high	92.9	Very high	107 Å²	107	55.8 Å²	55.8	40%	0.404	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	137.8	172.3	179.5	179	66.1	177.2	2.1	110.6	F61 T62 L64 Q224 L225	F61-R238 CarbonylContact C-O 3.54Å; F61-R238 VanDerWaalsContact CA-O 3.25Å; F61-R238 WeakPolarHBondContact CA-O 3.24Å; F61-R238 WeakPolarHBondContact CB-O 3.36Å; T62-R238 PolarHBondContact N-O 2.94Å; T62-R238 PolarHBondContact O-N 2.86Å; T62-R238 PolarHBondContact OG1-NE 3.43Å; L64-R238 HydrophobicContact CD1-CB 3.81Å; L64-R238 HydrophobicContact CG-CB 4.24Å; Q224-R238 VanDerWaalsContact O-CA 3.31Å; Q224-R238 WeakPolarHBondContact O-CA 3.32Å; L225-R238 HydrophobicContact CD2-CB 3.52Å; L225-R238 HydrophobicContact CD2-CG 3.68Å
239	V	94.9	Very high	92.9	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.024	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	155.8	177.3	-55.7	0	0	0	0	110.3	Y59 F61 Q224 I237 P242 F258	Y59-V239 HydrophobicContact CE1-CB 4.15Å; Y59-V239 HydrophobicContact CE1-CG1 3.5Å; Y59-V239 VanDerWaalsContact CE1-CG1 3.5Å; Y59-V239 VanDerWaalsContact OH-CB 3.23Å; Y59-V239 WeakPolarHBondContact OH-CB 3.26Å; Y59-V239 WeakPolarHBondContact OH-CG1 3.33Å; Y59-V239 WeakPolarHBondContact OH-CG2 3.39Å; F61-V239 HydrophobicContact CB-CG1 3.89Å; Q224-V239 VanDerWaalsContact CB-O 3.24Å; Q224-V239 WeakPolarHBondContact CB-O 3.47Å; Q224-V239 WeakPolarHBondContact CG-O 3.46Å; Q224-V239 PolarHBondContact O-N 3.24Å; I237-V239 HydrophobicContact CG2-CG1 4.35Å; V239-P242 HydrophobicContact CG2-CB 4.31Å; V239-F258 HydrophobicContact CB-CE2 4.28Å; V239-F258 HydrophobicContact CB-CZ 4.29Å; V239-F258 HydrophobicContact CG1-CD1 4.4Å; V239-F258 HydrophobicContact CG1-CD2 3.55Å; V239-F258 HydrophobicContact CG1-CE1 4.41Å; V239-F258 HydrophobicContact CG1-CE2 3.53Å; V239-F258 HydrophobicContact CG1-CG 4.01Å; V239-F258 HydrophobicContact CG1-CZ 4Å; V239-F258 HydrophobicContact CG2-CD1 4.07Å; V239-F258 HydrophobicContact CG2-CD2 4.35Å; V239-F258 HydrophobicContact CG2-CE1 3.48Å; V239-F258 VanDerWaalsContact CG2-CE1 3.48Å; V239-F258 HydrophobicContact CG2-CE2 3.77Å; V239-F258 HydrophobicContact CG2-CG 4.49Å; V239-F258 HydrophobicContact CG2-CZ 3.31Å
240	Q	90	Very high	92.9	Very high	137 Å²	137	57.6 Å²	57.6	64%	0.64	30%	0.3	S	S	*	.	S	Bend	trans	-80.1	-47.4	172.3	-65.1	-175.3	5.9	0	0	111	Q224	Q224-Q240 PolarHBondContact NE2-O 3.47Å
241	E	89.9	Confident	93	Very high	106 Å²	106	64.4 Å²	64.4	50%	0.495	32%	0.323	S	S	.	.	S	Bend	trans	-115.9	107.5	-178.1	-65.1	-170.9	-176.6	0	0	111.1	Y59 R243	Y59-E241 WeakPolarHBondContact CE2-O 3.28Å; Y59-E241 PolarHBondContact OH-O 2.87Å; E241-R243 PolarHBondContact O-N 3.38Å; E241-R243 IonicContact OE2-CZ 3.47Å; E241-R243 IonicContact OE2-NE 3.83Å; E241-R243 PolarHBondContact OE2-NE 3.45Å; E241-R243 IonicContact OE2-NH2 2.72Å; E241-R243 PolarHBondContact OE2-NH2 3.49Å
242	P	90.5	Very high	93.1	Very high	65 Å²	65	62.3 Å²	62.3	42%	0.422	30%	0.301	S	S	.	.			trans	-70.6	101.1	-175.1	29.2	-35.5	0	0	0	112	Y223 V239 F258	Y223-P242 HydrophobicContact CD2-CG 4.24Å; Y223-P242 WeakPolarHBondContact O-CB 3.48Å; V239-P242 HydrophobicContact CG2-CB 4.31Å; P242-F258 HydrophobicContact CB-CE1 3.83Å
243	R	90.6	Very high	93.3	Very high	122 Å²	122	59.5 Å²	59.5	46%	0.46	29%	0.286	S	S	.	.			trans	-128.3	164.7	-179.6	-63.1	-175.2	-172.1	-156.9	0.7	110.4	Y59 E241 R245	Y59-R243 PolarHBondContact OH-N 3.05Å; E241-R243 PolarHBondContact O-N 3.38Å; E241-R243 IonicContact OE2-CZ 3.47Å; E241-R243 IonicContact OE2-NE 3.83Å; E241-R243 PolarHBondContact OE2-NE 3.45Å; E241-R243 IonicContact OE2-NH2 2.72Å; E241-R243 PolarHBondContact OE2-NH2 3.49Å; R243-R245 HydrophobicContact CB-CG 3.82Å; R243-R245 PolarHBondContact O-N 3.08Å
244	A	90.9	Very high	93.3	Very high	30 Å²	30	62.5 Å²	62.5	25%	0.248	30%	0.299	C	S	.	.	S	Bend	trans	-76.9	61.4	175.8	0	0	0	0	0	111.3	K259	A244-K259 HydrophobicContact CB-CB 4.01Å; A244-K259 HydrophobicContact CB-CD 4.12Å
245	R	91.5	Very high	93.4	Very high	29 Å²	29	61.7 Å²	61.7	11%	0.109	29%	0.292	C	S	.	.			trans	-107.4	161.7	-175	-66.2	-73.2	173.2	177.4	-9.1	111.8	P56 Y59 R243 F258 H491 D492	P56-R245 PolarHBondContact O-NH1 2.94Å; Y59-R245 HydrophobicContact CD1-CB 3.36Å; Y59-R245 HydrophobicContact CD1-CG 4.18Å; Y59-R245 HydrophobicContact CD2-CB 3.8Å; Y59-R245 HydrophobicContact CD2-CG 3.64Å; Y59-R245 HydrophobicContact CE1-CB 3.65Å; Y59-R245 HydrophobicContact CE1-CG 4.38Å; Y59-R245 HydrophobicContact CE2-CB 4.08Å; Y59-R245 HydrophobicContact CE2-CG 3.89Å; Y59-R245 HydrophobicContact CG-CB 3.41Å; Y59-R245 VanDerWaalsContact CG-CB 3.41Å; Y59-R245 HydrophobicContact CG-CG 3.78Å; R243-R245 HydrophobicContact CB-CG 3.82Å; R243-R245 PolarHBondContact O-N 3.08Å; R245-F258 PolarHBondContact O-N 2.68Å; R245-F258 VanDerWaalsContact O-N 3.08Å; R245-H491 PolarHBondContact NH1-CE1 3.19Å; R245-H491 VanDerWaalsContact NH1-CE1 3.28Å; R245-H491 PolarHBondContact NH1-ND1 3Å; R245-D492 IonicContact CZ-OD1 2.93Å; R245-D492 IonicContact NH1-OD1 2.71Å; R245-D492 PolarHBondContact NH1-OD1 3.48Å; R245-D492 IonicContact NH2-OD1 3.58Å; R245-D492 PolarHBondContact NH2-OD1 3.5Å
246	R	92.5	Very high	93.4	Very high	83 Å²	83	61.1 Å²	61.1	31%	0.313	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	127.5	175.5	-171.9	-178.4	177.6	-77.4	-3.5	109	V255 Y264	R246-V255 HydrophobicContact CG-CG1 3.73Å; R246-V255 VanDerWaalsContact NH2-CG2 3.34Å; R246-Y264 VanDerWaalsContact CA-CD2 3.5Å; R246-Y264 HydrophobicContact CB-CD1 3.88Å; R246-Y264 HydrophobicContact CB-CD2 3.7Å; R246-Y264 HydrophobicContact CB-CE1 3.88Å; R246-Y264 HydrophobicContact CB-CE2 3.7Å; R246-Y264 HydrophobicContact CB-CG 3.75Å; R246-Y264 HydrophobicContact CG-CD1 3.93Å; R246-Y264 HydrophobicContact CG-CD2 4.38Å; R246-Y264 HydrophobicContact CG-CE1 4.29Å; R246-Y264 HydrophobicContact CG-CG 3.94Å
247	V	94.4	Very high	93.3	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152.1	168.9	-65	0	0	0	0	109.2	Y59 F61 I237 V255 F256 F258	Y59-V247 HydrophobicContact CD1-CG1 3.82Å; Y59-V247 HydrophobicContact CE1-CG1 3.8Å; F61-V247 HydrophobicContact CB-CG1 4.17Å; F61-V247 HydrophobicContact CD1-CB 4.29Å; F61-V247 HydrophobicContact CD1-CG1 3.82Å; F61-V247 HydrophobicContact CD2-CB 4.41Å; F61-V247 HydrophobicContact CD2-CG1 4.45Å; F61-V247 HydrophobicContact CE1-CB 4.39Å; F61-V247 HydrophobicContact CE1-CG1 4.34Å; F61-V247 HydrophobicContact CG-CB 4.31Å; F61-V247 HydrophobicContact CG-CG1 3.89Å; I237-V247 HydrophobicContact CG2-CB 4.11Å; I237-V247 HydrophobicContact CG2-CG1 4.05Å; I237-V247 HydrophobicContact CG2-CG2 4.38Å; V247-V255 WeakPolarHBondContact O-CA 3.47Å; V247-F256 HydrophobicContact CG2-CD1 4.07Å; V247-F256 HydrophobicContact CG2-CD2 3.79Å; V247-F256 HydrophobicContact CG2-CE1 3.84Å; V247-F256 HydrophobicContact CG2-CE2 3.57Å; V247-F256 HydrophobicContact CG2-CG 4.05Å; V247-F256 HydrophobicContact CG2-CZ 3.61Å; V247-F256 WeakPolarHBondContact CG2-O 3.5Å; V247-F256 PolarHBondContact N-O 3.4Å; V247-F256 PolarHBondContact O-N 2.92Å; V247-F258 HydrophobicContact CG1-CB 4.02Å; V247-F258 HydrophobicContact CG1-CD2 4.46Å; V247-F258 HydrophobicContact CG2-CB 4.21Å
248	Q	94.9	Very high	93.2	Very high	66 Å²	66	61.3 Å²	61.3	31%	0.308	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	128.9	179.5	-179.6	171.9	-14.6	0	0	110	F61 E254 V255	F61-Q248 WeakPolarHBondContact CE2-O 3.47Å; F61-Q248 HydrophobicContact CZ-CB 4.34Å; Q248-E254 WeakPolarHBondContact CA-O 3.45Å; Q248-V255 HydrophobicContact CB-CG2 4.13Å; Q248-V255 HydrophobicContact CG-CG2 3.86Å
249	C	95.5	Very high	93	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.301	C	S	.	.			trans	-74.8	126.5	175.2	-177.9	0	0	0	0	110.3	C228 C233 R251 C252 N253 E254	C228-C249 VanDerWaalsContact SG-SG 3.69Å; C233-C249 VanDerWaalsContact SG-SG 3.65Å; C249-R251 PolarHBondContact O-N 3.17Å; C249-C252 VanDerWaalsContact SG-SG 3.6Å; C249-N253 WeakPolarHBondContact O-CA 3.49Å; C249-N253 PolarHBondContact O-N 3.25Å; C249-E254 PolarHBondContact N-O 2.84Å
250	N	95	Very high	92.9	Very high	109 Å²	109	64.1 Å²	64.1	58%	0.583	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-14.9	178.4	66.9	-9.8	0	0	0	114.2	C63	C63-N250 HydrophobicContact CB-CB 4.43Å; C63-N250 VanDerWaalsContact CB-OD1 3.31Å; C63-N250 WeakPolarHBondContact CB-OD1 3.42Å
251	R	94.4	Very high	93	Very high	154 Å²	154	62.2 Å²	62.2	58%	0.581	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-49.6	-179.4	179.5	177.5	167.8	167.2	-5.2	113.2	P234 M235 C249	P234-R251 VanDerWaalsContact CD-NH1 3.26Å; M235-R251 HydrophobicContact CG-CB 3.7Å; M235-R251 HydrophobicContact CG-CG 4.44Å; M235-R251 HydrophobicContact SD-CB 4.42Å; C249-R251 PolarHBondContact O-N 3.17Å
252	C	94.4	Very high	93.1	Very high	51 Å²	51	62.4 Å²	62.4	35%	0.345	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-1.5	-176.8	65.1	0	0	0	0	113.6	C228 C233 C249 E254	C228-C252 PolarHBondContact SG-SG 2.86Å; C233-C252 HydrophobicContact CB-CB 4.47Å; C249-C252 VanDerWaalsContact SG-SG 3.6Å; C252-E254 PolarHBondContact O-N 3.35Å; C252-E254 VanDerWaalsContact SG-CB 3.56Å
253	N	92	Very high	93.1	Very high	104 Å²	104	64.2 Å²	64.2	56%	0.556	30%	0.3	S	S	*	.			trans	60.6	9.2	-177.3	-63.2	-52.3	0	0	0	115.7	C249 V255	C249-N253 WeakPolarHBondContact O-CA 3.49Å; C249-N253 PolarHBondContact O-N 3.25Å; N253-V255 PolarHBondContact O-N 3.42Å
254	E	92.8	Very high	93.2	Very high	80 Å²	80	58.6 Å²	58.6	37%	0.374	28%	0.279	S	S	.	.			trans	-61.4	132.3	175.5	-168	59.4	-135.5	0	0	110.7	P229 Q248 C249 C252 F256	P229-E254 HydrophobicContact CG-CG 4.03Å; Q248-E254 WeakPolarHBondContact CA-O 3.45Å; C249-E254 PolarHBondContact N-O 2.84Å; C252-E254 PolarHBondContact O-N 3.35Å; C252-E254 VanDerWaalsContact SG-CB 3.56Å; E254-F256 HydrophobicContact CG-CD1 4.44Å
255	V	92.2	Very high	93.3	Very high	36 Å²	36	57.3 Å²	57.3	22%	0.218	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	121	-178	178.8	0	0	0	0	109.1	R246 V247 Q248 N253	R246-V255 HydrophobicContact CG-CG1 3.73Å; R246-V255 VanDerWaalsContact NH2-CG2 3.34Å; V247-V255 WeakPolarHBondContact O-CA 3.47Å; Q248-V255 HydrophobicContact CB-CG2 4.13Å; Q248-V255 HydrophobicContact CG-CG2 3.86Å; N253-V255 PolarHBondContact O-N 3.42Å
256	F	94.7	Very high	93.3	Very high	1 Å²	1	56 Å²	56	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	167.4	-173	63.8	-82.2	0	0	0	112.5	P229 I237 V247 E254 Q262	P229-F256 VanDerWaalsContact CD-CD1 3.44Å; P229-F256 VanDerWaalsContact CD-CZ 3.49Å; P229-F256 HydrophobicContact CG-CB 3.95Å; P229-F256 HydrophobicContact CG-CD1 3.7Å; P229-F256 HydrophobicContact CG-CD2 4.05Å; P229-F256 HydrophobicContact CG-CE1 4.15Å; P229-F256 HydrophobicContact CG-CE2 4.45Å; P229-F256 HydrophobicContact CG-CG 3.64Å; P229-F256 HydrophobicContact CG-CZ 4.47Å; I237-F256 HydrophobicContact CG1-CE1 4.18Å; I237-F256 HydrophobicContact CG1-CZ 3.6Å; V247-F256 HydrophobicContact CG2-CD1 4.07Å; V247-F256 HydrophobicContact CG2-CD2 3.79Å; V247-F256 HydrophobicContact CG2-CE1 3.84Å; V247-F256 HydrophobicContact CG2-CE2 3.57Å; V247-F256 HydrophobicContact CG2-CG 4.05Å; V247-F256 HydrophobicContact CG2-CZ 3.61Å; V247-F256 WeakPolarHBondContact CG2-O 3.5Å; V247-F256 PolarHBondContact N-O 3.4Å; V247-F256 PolarHBondContact O-N 2.92Å; E254-F256 HydrophobicContact CG-CD1 4.44Å; F256-Q262 WeakPolarHBondContact CA-O 3.22Å; F256-Q262 WeakPolarHBondContact CB-O 3.25Å
257	C	94.8	Very high	93.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	122.7	171.1	178.5	0	0	0	0	109.7	K259 C260 R261 Q262 C270	C257-K259 VanDerWaalsContact C-N 3.28Å; C257-K259 PolarHBondContact O-N 3.47Å; C257-C260 VanDerWaalsContact CB-SG 3.54Å; C257-C260 PolarHBondContact O-N 2.91Å; C257-R261 WeakPolarHBondContact O-CA 3.41Å; C257-R261 PolarHBondContact O-N 3.42Å; C257-Q262 PolarHBondContact N-O 3.04Å; C257-C270 VanDerWaalsContact SG-SG 3.67Å
258	F	94.3	Very high	93.2	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.018	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-44.2	178.3	179.7	-95.4	0	0	0	112.3	Q226 I237 V239 P242 R245 V247	Q226-F258 HydrophobicContact CB-CD2 3.91Å; Q226-F258 HydrophobicContact CB-CE2 3.6Å; Q226-F258 HydrophobicContact CB-CZ 4.21Å; Q226-F258 HydrophobicContact CG-CD1 4.34Å; Q226-F258 HydrophobicContact CG-CD2 3.73Å; Q226-F258 HydrophobicContact CG-CE1 4.02Å; Q226-F258 HydrophobicContact CG-CE2 3.38Å; Q226-F258 HydrophobicContact CG-CG 4.19Å; Q226-F258 HydrophobicContact CG-CZ 3.53Å; Q226-F258 WeakPolarHBondContact CG-O 3.49Å; I237-F258 HydrophobicContact CG2-CD2 4.19Å; I237-F258 HydrophobicContact CG2-CE2 4.42Å; V239-F258 HydrophobicContact CB-CE2 4.28Å; V239-F258 HydrophobicContact CB-CZ 4.29Å; V239-F258 HydrophobicContact CG1-CD1 4.4Å; V239-F258 HydrophobicContact CG1-CD2 3.55Å; V239-F258 HydrophobicContact CG1-CE1 4.41Å; V239-F258 HydrophobicContact CG1-CE2 3.53Å; V239-F258 HydrophobicContact CG1-CG 4.01Å; V239-F258 HydrophobicContact CG1-CZ 4Å; V239-F258 HydrophobicContact CG2-CD1 4.07Å; V239-F258 HydrophobicContact CG2-CD2 4.35Å; V239-F258 HydrophobicContact CG2-CE1 3.48Å; V239-F258 VanDerWaalsContact CG2-CE1 3.48Å; V239-F258 HydrophobicContact CG2-CE2 3.77Å; V239-F258 HydrophobicContact CG2-CG 4.49Å; V239-F258 HydrophobicContact CG2-CZ 3.31Å; P242-F258 HydrophobicContact CB-CE1 3.83Å; R245-F258 PolarHBondContact O-N 2.68Å; R245-F258 VanDerWaalsContact O-N 3.08Å; V247-F258 HydrophobicContact CG1-CB 4.02Å; V247-F258 HydrophobicContact CG1-CD2 4.46Å; V247-F258 HydrophobicContact CG2-CB 4.21Å
259	K	92.2	Very high	93.1	Very high	145 Å²	145	52.8 Å²	52.8	63%	0.63	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-37.9	-173.7	-172.1	176.4	-177.1	177.8	0	114.7	A244 C257	A244-K259 HydrophobicContact CB-CB 4.01Å; A244-K259 HydrophobicContact CB-CD 4.12Å; C257-K259 VanDerWaalsContact C-N 3.28Å; C257-K259 PolarHBondContact O-N 3.47Å
260	C	92.4	Very high	93	Very high	24 Å²	24	53.4 Å²	53.4	16%	0.162	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-7.9	-171.9	74.6	0	0	0	0	114.7	C257 Q262 H265 C270	C257-C260 VanDerWaalsContact CB-SG 3.54Å; C257-C260 PolarHBondContact O-N 2.91Å; C260-Q262 PolarHBondContact O-N 2.85Å; C260-Q262 VanDerWaalsContact O-N 3.08Å; C260-Q262 PolarHBondContact SG-N 2.88Å; C260-H265 PolarHBondContact SG-NE2 3.1Å; C260-C270 HydrophobicContact CB-CB 3.94Å
261	R	92.7	Very high	93	Very high	97 Å²	97	50.3 Å²	50.3	37%	0.366	25%	0.248	S	C	.	.			trans	60.5	8.1	-177.1	-54.9	-176.4	-71.1	-173.6	-3.9	115.8	E220 Q226 C257	E220-R261 IonicContact OE1-CZ 2.82Å; E220-R261 IonicContact OE1-NH1 2.73Å; E220-R261 PolarHBondContact OE1-NH1 3.21Å; E220-R261 IonicContact OE1-NH2 2.75Å; E220-R261 PolarHBondContact OE1-NH2 3.33Å; Q226-R261 VanDerWaalsContact OE1-CD 3.27Å; C257-R261 WeakPolarHBondContact O-CA 3.41Å; C257-R261 PolarHBondContact O-N 3.42Å
262	Q	91.4	Very high	93	Very high	110 Å²	110	43.9 Å²	43.9	51%	0.514	23%	0.226	S	C	.	.	S	Bend	trans	-83.9	170.3	170	-57.4	-59.2	-42.9	0	0	109.8	F256 C257 C260 Y264	F256-Q262 WeakPolarHBondContact CA-O 3.22Å; F256-Q262 WeakPolarHBondContact CB-O 3.25Å; C257-Q262 PolarHBondContact N-O 3.04Å; C260-Q262 PolarHBondContact O-N 2.85Å; C260-Q262 VanDerWaalsContact O-N 3.08Å; C260-Q262 PolarHBondContact SG-N 2.88Å; Q262-Y264 PolarHBondContact O-N 3.43Å
263	M	91.3	Very high	93	Very high	103 Å²	103	41.7 Å²	41.7	51%	0.507	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-47.4	134.9	168.3	-63.5	-172.4	79	0	0	110.3	H265 Y422	M263-H265 PolarHBondContact O-CD2 2.99Å; M263-H265 VanDerWaalsContact O-CD2 3.23Å; M263-H265 PolarHBondContact O-N 3.48Å; M263-Y422 WeakPolarHBondContact CB-OH 3.28Å; M263-Y422 HydrophobicContact CE-CE2 4Å
264	Y	93	Very high	93.2	Very high	5 Å²	5	44 Å²	44	2%	0.02	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-59.4	133.9	-177	171.4	-108.9	0	0	0	110.8	E57 R246 Q262 A266 Y422 H491	E57-Y264 WeakPolarHBondContact OE1-CE1 3.5Å; E57-Y264 PolarHBondContact OE1-OH 3.28Å; E57-Y264 VanDerWaalsContact OE1-OH 3.09Å; R246-Y264 VanDerWaalsContact CA-CD2 3.5Å; R246-Y264 HydrophobicContact CB-CD1 3.88Å; R246-Y264 HydrophobicContact CB-CD2 3.7Å; R246-Y264 HydrophobicContact CB-CE1 3.88Å; R246-Y264 HydrophobicContact CB-CE2 3.7Å; R246-Y264 HydrophobicContact CB-CG 3.75Å; R246-Y264 HydrophobicContact CG-CD1 3.93Å; R246-Y264 HydrophobicContact CG-CD2 4.38Å; R246-Y264 HydrophobicContact CG-CE1 4.29Å; R246-Y264 HydrophobicContact CG-CG 3.94Å; Q262-Y264 PolarHBondContact O-N 3.43Å; Y264-A266 HydrophobicContact CE1-CB 3.65Å; Y264-A266 HydrophobicContact CE2-CB 4.05Å; Y264-A266 VanDerWaalsContact OH-CB 3.23Å; Y264-A266 WeakPolarHBondContact OH-CB 3.38Å; Y264-Y422 HydrophobicContact CD1-CE1 4.26Å; Y264-Y422 PolarHBondContact N-OH 3.11Å; Y264-Y422 WeakPolarHBondContact O-CE1 3.3Å; Y264-Y422 PolarHBondContact O-OH 3.44Å; Y264-H491 PolarHBondContact OH-CE1 3.38Å; Y264-H491 PolarHBondContact OH-NE2 3.41Å
265	H	93.1	Very high	93.3	Very high	3 Å²	3	46 Å²	46	1%	0.014	22%	0.22	C	C	.	.			trans	-132.4	28.5	-158.4	49.2	61.2	0	0	0	113.7	C260 M263 T268 C270 I273 Y426	C260-H265 PolarHBondContact SG-NE2 3.1Å; M263-H265 PolarHBondContact O-CD2 2.99Å; M263-H265 VanDerWaalsContact O-CD2 3.23Å; M263-H265 PolarHBondContact O-N 3.48Å; H265-T268 PolarHBondContact CE1-O 3.42Å; H265-T268 PolarHBondContact ND1-O 2.85Å; H265-T268 CarbonylContact O-C 3.57Å; H265-T268 VanDerWaalsContact O-CA 3.3Å; H265-T268 WeakPolarHBondContact O-CA 3.48Å; H265-T268 WeakPolarHBondContact O-CB 3.37Å; H265-T268 PolarHBondContact O-N 3.18Å; H265-C270 PolarHBondContact CE1-N 2.95Å; H265-C270 PolarHBondContact CE1-SG 3.25Å; H265-C270 PolarHBondContact NE2-SG 3.26Å; H265-C270 VanDerWaalsContact NE2-SG 3.39Å; H265-I273 HydrophobicContact CB-CB 4.29Å; H265-I273 HydrophobicContact CB-CG1 4.06Å; H265-I273 HydrophobicContact CB-CG2 4.36Å; H265-Y426 HydrophobicContact CB-CD1 3.66Å; H265-Y426 HydrophobicContact CB-CE1 3.71Å; H265-Y426 HydrophobicContact CB-CG 4.16Å
266	A	91.7	Very high	93.4	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.008	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	140	176.9	0	0	0	0	0	112.1	Y264 L487 H491	Y264-A266 HydrophobicContact CE1-CB 3.65Å; Y264-A266 HydrophobicContact CE2-CB 4.05Å; Y264-A266 VanDerWaalsContact OH-CB 3.23Å; Y264-A266 WeakPolarHBondContact OH-CB 3.38Å; A266-L487 HydrophobicContact CB-CD2 3.84Å; A266-H491 VanDerWaalsContact CB-CD2 3.41Å; A266-H491 WeakPolarHBondContact CB-CD2 3.2Å; A266-H491 WeakPolarHBondContact CB-NE2 3.24Å
267	P	92.2	Very high	93.3	Very high	5 Å²	5	47.5 Å²	47.5	3%	0.032	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	cis	-84	-1	9	35.2	-39.5	0	0	0	115.2	T427 Y430 F443 L486 L487 F490	P267-T427 HydrophobicContact CG-CG2 4Å; P267-Y430 HydrophobicContact CG-CG 4.4Å; P267-F443 HydrophobicContact CG-CE2 4.22Å; P267-F443 HydrophobicContact CG-CZ 4.28Å; P267-L486 HydrophobicContact CB-CD2 4.2Å; P267-L486 HydrophobicContact CG-CD2 3.98Å; P267-L487 HydrophobicContact CB-CD2 4.13Å; P267-F490 HydrophobicContact CB-CB 4.5Å
268	T	92.2	Very high	93.2	Very high	4 Å²	4	51 Å²	51	3%	0.025	25%	0.247	C	C	.	.	S	Bend	trans	-69.9	141	-177.4	-58.1	0	0	0	0	111.8	H265 T272 I273 Y426 Y430	H265-T268 PolarHBondContact CE1-O 3.42Å; H265-T268 PolarHBondContact ND1-O 2.85Å; H265-T268 CarbonylContact O-C 3.57Å; H265-T268 VanDerWaalsContact O-CA 3.3Å; H265-T268 WeakPolarHBondContact O-CA 3.48Å; H265-T268 WeakPolarHBondContact O-CB 3.37Å; H265-T268 PolarHBondContact O-N 3.18Å; T268-T272 VanDerWaalsContact CG2-CB 3.46Å; T268-T272 HydrophobicContact CG2-CG2 3.46Å; T268-T272 VanDerWaalsContact CG2-CG2 3.46Å; T268-I273 HydrophobicContact CG2-CB 3.88Å; T268-Y426 PolarHBondContact OG1-O 3.04Å; T268-Y430 WeakPolarHBondContact OG1-CB 3.35Å; T268-Y430 PolarHBondContact OG1-N 3.05Å
269	D	92.4	Very high	93	Very high	73 Å²	73	53.1 Å²	53.1	39%	0.39	26%	0.257	S	S	.	.			trans	-79	163.7	171.4	73.9	71.4	0	0	0	112.8	A271 T272 I273	D269-A271 VanDerWaalsContact C-N 3.27Å; D269-A271 PolarHBondContact O-N 3.16Å; D269-A271 VanDerWaalsContact OD1-CA 3.3Å; D269-A271 WeakPolarHBondContact OD1-CA 3.28Å; D269-A271 VanDerWaalsContact OD1-CB 3.27Å; D269-A271 WeakPolarHBondContact OD1-CB 3.4Å; D269-A271 PolarHBondContact OD1-N 3.27Å; D269-T272 PolarHBondContact O-N 3.17Å; D269-T272 PolarHBondContact OD1-N 2.87Å; D269-T272 PolarHBondContact OD1-OG1 3.39Å; D269-T272 WeakPolarHBondContact OD2-CB 3.47Å; D269-T272 PolarHBondContact OD2-OG1 2.97Å; D269-I273 WeakPolarHBondContact O-CG2 3.32Å; D269-I273 PolarHBondContact O-N 3.1Å
270	C	94.3	Very high	92.9	Very high	12 Å²	12	47.1 Å²	47.1	8%	0.081	23%	0.232	C	C	.	.	H	α-helix	trans	-61.3	-29.9	-176.7	-58.8	0	0	0	0	114.4	C257 C260 H265 I273 R274	C257-C270 VanDerWaalsContact SG-SG 3.67Å; C260-C270 HydrophobicContact CB-CB 3.94Å; H265-C270 PolarHBondContact CE1-N 2.95Å; H265-C270 PolarHBondContact CE1-SG 3.25Å; H265-C270 PolarHBondContact NE2-SG 3.26Å; H265-C270 VanDerWaalsContact NE2-SG 3.39Å; C270-I273 WeakPolarHBondContact O-CG2 3.41Å; C270-R274 WeakPolarHBondContact O-CB 3.41Å; C270-R274 PolarHBondContact O-N 3.2Å
271	A	94.3	Very high	92.7	Very high	45 Å²	45	49 Å²	49	37%	0.372	25%	0.25	S	C	.	.	H	α-helix	trans	-76.8	-42.7	179.9	0	0	0	0	0	110.6	D269 R274 K275	D269-A271 VanDerWaalsContact C-N 3.27Å; D269-A271 PolarHBondContact O-N 3.16Å; D269-A271 VanDerWaalsContact OD1-CA 3.3Å; D269-A271 WeakPolarHBondContact OD1-CA 3.28Å; D269-A271 VanDerWaalsContact OD1-CB 3.27Å; D269-A271 WeakPolarHBondContact OD1-CB 3.4Å; D269-A271 PolarHBondContact OD1-N 3.27Å; A271-R274 PolarHBondContact O-N 3.26Å; A271-K275 WeakPolarHBondContact O-CG 3.47Å; A271-K275 PolarHBondContact O-N 2.88Å
272	T	94.6	Very high	92.4	Very high	19 Å²	19	50.2 Å²	50.2	12%	0.117	26%	0.263	C	S	.	.	H	α-helix	trans	-65.1	-45.6	179.2	-62.3	0	0	0	0	111.4	T268 D269 R274 K275 W276 Y433	T268-T272 VanDerWaalsContact CG2-CB 3.46Å; T268-T272 HydrophobicContact CG2-CG2 3.46Å; T268-T272 VanDerWaalsContact CG2-CG2 3.46Å; D269-T272 PolarHBondContact O-N 3.17Å; D269-T272 PolarHBondContact OD1-N 2.87Å; D269-T272 PolarHBondContact OD1-OG1 3.39Å; D269-T272 WeakPolarHBondContact OD2-CB 3.47Å; D269-T272 PolarHBondContact OD2-OG1 2.97Å; T272-R274 VanDerWaalsContact C-N 3.31Å; T272-R274 PolarHBondContact O-N 3.17Å; T272-K275 PolarHBondContact O-N 3.02Å; T272-W276 PolarHBondContact O-N 3.43Å; T272-Y433 HydrophobicContact CG2-CD2 3.51Å; T272-Y433 HydrophobicContact CG2-CE2 4.42Å; T272-Y433 HydrophobicContact CG2-CG 3.99Å
273	I	94.8	Very high	91.9	Very high	5 Å²	5	47 Å²	47	3%	0.026	25%	0.25	C	C	.	.	H	α-helix	trans	-66	-36.2	177.7	-168.3	53.9	0	0	0	111.9	H265 T268 D269 C270 W276 L277 Y426 P429	H265-I273 HydrophobicContact CB-CB 4.29Å; H265-I273 HydrophobicContact CB-CG1 4.06Å; H265-I273 HydrophobicContact CB-CG2 4.36Å; T268-I273 HydrophobicContact CG2-CB 3.88Å; D269-I273 WeakPolarHBondContact O-CG2 3.32Å; D269-I273 PolarHBondContact O-N 3.1Å; C270-I273 WeakPolarHBondContact O-CG2 3.41Å; I273-W276 HydrophobicContact CD1-CB 4.31Å; I273-W276 WeakPolarHBondContact O-CB 2.81Å; I273-W276 PolarHBondContact O-N 3.4Å; I273-L277 HydrophobicContact CD1-CG 4.26Å; I273-L277 HydrophobicContact CG1-CD1 4.15Å; I273-L277 HydrophobicContact CG1-CG 4.27Å; I273-L277 WeakPolarHBondContact O-CG 3.4Å; I273-L277 PolarHBondContact O-N 2.95Å; I273-Y426 HydrophobicContact CD1-CD1 3.72Å; I273-Y426 HydrophobicContact CD1-CE1 3.62Å; I273-Y426 HydrophobicContact CG1-CD1 4.34Å; I273-Y426 HydrophobicContact CG1-CE1 4.07Å; I273-P429 HydrophobicContact CD1-CB 4.44Å; I273-P429 HydrophobicContact CD1-CG 4.43Å
274	R	95	Very high	90.9	Very high	152 Å²	152	44.2 Å²	44.2	57%	0.574	24%	0.241	S	C	*	.	H	α-helix	trans	-61.7	-46.8	175.8	-171.1	-171.7	-53.8	143.5	4	111	C270 A271 T272 W276 L277 T278	C270-R274 WeakPolarHBondContact O-CB 3.41Å; C270-R274 PolarHBondContact O-N 3.2Å; A271-R274 PolarHBondContact O-N 3.26Å; T272-R274 VanDerWaalsContact C-N 3.31Å; T272-R274 PolarHBondContact O-N 3.17Å; R274-W276 VanDerWaalsContact C-N 3.3Å; R274-W276 PolarHBondContact O-N 2.65Å; R274-L277 PolarHBondContact O-N 3.32Å; R274-T278 PolarHBondContact O-N 3.46Å; R274-T278 PolarHBondContact O-OG1 3.48Å; R274-T278 VanDerWaalsContact O-OG1 3.07Å
275	K	95.1	Very high	89.5	Confident	123 Å²	123	51.4 Å²	51.4	54%	0.535	28%	0.275	S	S	.	.	H	α-helix	trans	-59.2	-42.3	175.2	-71.6	174.3	-179.3	177.8	0	111.7	A271 T272 K279 Y433	A271-K275 WeakPolarHBondContact O-CG 3.47Å; A271-K275 PolarHBondContact O-N 2.88Å; T272-K275 PolarHBondContact O-N 3.02Å; K275-K279 WeakPolarHBondContact O-CB 3.41Å; K275-K279 PolarHBondContact O-N 3.04Å; K275-Y433 HydrophobicContact CB-CE1 4.43Å; K275-Y433 HydrophobicContact CB-CE2 4.14Å; K275-Y433 PolarHBondContact O-OH 2.97Å
276	W	94.6	Very high	88	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-51.2	176.8	-178.2	-104	0	0	0	112.1	T272 I273 R274 T278 K279 C280 Y365 F369 W372 P429 Y432 Y433	T272-W276 PolarHBondContact O-N 3.43Å; I273-W276 HydrophobicContact CD1-CB 4.31Å; I273-W276 WeakPolarHBondContact O-CB 2.81Å; I273-W276 PolarHBondContact O-N 3.4Å; R274-W276 VanDerWaalsContact C-N 3.3Å; R274-W276 PolarHBondContact O-N 2.65Å; W276-T278 PolarHBondContact O-N 3.07Å; W276-K279 WeakPolarHBondContact O-CB 3.29Å; W276-K279 PolarHBondContact O-N 2.74Å; W276-C280 PolarHBondContact O-N 2.98Å; W276-C280 PolarHBondContact O-SG 2.93Å; W276-Y365 HydrophobicContact CH2-CD2 4.06Å; W276-Y365 HydrophobicContact CH2-CE2 4.02Å; W276-Y365 HydrophobicContact CZ3-CD2 4.04Å; W276-Y365 HydrophobicContact CZ3-CE2 4.19Å; W276-F369 HydrophobicContact CH2-CB 4.2Å; W276-F369 HydrophobicContact CZ2-CB 4.23Å; W276-F369 HydrophobicContact CZ2-CD2 4.34Å; W276-W372 HydrophobicContact CZ2-CB 4.14Å; W276-W372 HydrophobicContact CZ2-CG 4.33Å; W276-W372 AromaticContact NE1-CD2 3.51Å; W276-W372 AromaticContact NE1-CE2 3.71Å; W276-W372 AromaticContact NE1-CE3 3.86Å; W276-W372 AromaticContact NE1-CG 3.77Å; W276-P429 HydrophobicContact CB-CB 4.03Å; W276-P429 HydrophobicContact CD2-CB 3.85Å; W276-P429 HydrophobicContact CD2-CG 3.96Å; W276-P429 HydrophobicContact CE3-CB 4.35Å; W276-P429 HydrophobicContact CG-CB 3.67Å; W276-P429 HydrophobicContact CG-CG 3.85Å; W276-Y432 HydrophobicContact CE3-CD1 4.08Å; W276-Y432 HydrophobicContact CE3-CG 4.32Å; W276-Y432 AromaticContact CZ3-CD1 3.92Å; W276-Y432 HydrophobicContact CZ3-CD1 3.92Å; W276-Y432 HydrophobicContact CZ3-CD2 4.13Å; W276-Y432 HydrophobicContact CZ3-CE1 4.41Å; W276-Y432 AromaticContact CZ3-CG 3.77Å; W276-Y432 HydrophobicContact CZ3-CG 3.77Å; W276-Y433 HydrophobicContact CB-CE2 4.09Å; W276-Y433 HydrophobicContact CE3-CE2 4.07Å
277	L	92.7	Very high	86.4	Confident	67 Å²	67	54 Å²	54	35%	0.351	29%	0.291	S	S	.	.	H	α-helix	trans	-64	-40.4	-179.3	-66.8	175.5	0	0	0	112.4	I273 R274 K279 C280 A281 W372	I273-L277 HydrophobicContact CD1-CG 4.26Å; I273-L277 HydrophobicContact CG1-CD1 4.15Å; I273-L277 HydrophobicContact CG1-CG 4.27Å; I273-L277 WeakPolarHBondContact O-CG 3.4Å; I273-L277 PolarHBondContact O-N 2.95Å; R274-L277 PolarHBondContact O-N 3.32Å; L277-K279 VanDerWaalsContact C-N 3.35Å; L277-C280 PolarHBondContact O-N 3.34Å; L277-A281 PolarHBondContact O-N 3.29Å; L277-W372 HydrophobicContact CD2-CH2 4.4Å; L277-W372 HydrophobicContact CD2-CZ2 4.22Å
278	T	92.7	Very high	84.8	Confident	74 Å²	74	58.8 Å²	58.8	45%	0.454	32%	0.316	S	S	.	.	H	α-helix	trans	-59.5	-46.7	172.3	-60.7	0	0	0	0	110.9	R274 W276 C280 A281 D282	R274-T278 PolarHBondContact O-N 3.46Å; R274-T278 PolarHBondContact O-OG1 3.48Å; R274-T278 VanDerWaalsContact O-OG1 3.07Å; W276-T278 PolarHBondContact O-N 3.07Å; T278-C280 VanDerWaalsContact C-N 3.33Å; T278-C280 PolarHBondContact O-N 3.43Å; T278-A281 WeakPolarHBondContact O-CB 3.46Å; T278-A281 PolarHBondContact O-N 3.35Å; T278-A281 VanDerWaalsContact O-N 3.11Å; T278-D282 VanDerWaalsContact O-CG 3.29Å; T278-D282 PolarHBondContact O-N 3.27Å
279	K	91.1	Very high	83.1	Confident	49 Å²	49	68.9 Å²	68.9	21%	0.213	36%	0.355	C	S	.	.	H	α-helix	trans	-60.5	-40.9	177	-174.8	169.1	178.5	52.7	0	112.5	K275 W276 L277 A281 D282 D283 Y365 Y432	K275-K279 WeakPolarHBondContact O-CB 3.41Å; K275-K279 PolarHBondContact O-N 3.04Å; W276-K279 WeakPolarHBondContact O-CB 3.29Å; W276-K279 PolarHBondContact O-N 2.74Å; L277-K279 VanDerWaalsContact C-N 3.35Å; K279-A281 VanDerWaalsContact C-N 3.31Å; K279-A281 PolarHBondContact O-N 3.31Å; K279-D282 PolarHBondContact O-N 3.36Å; K279-D283 WeakPolarHBondContact CG-OD2 3.5Å; K279-D283 IonicContact NZ-OD2 2.93Å; K279-D283 PolarHBondContact NZ-OD2 3.15Å; K279-D283 WeakPolarHBondContact O-CB 3.47Å; K279-D283 PolarHBondContact O-N 2.85Å; K279-Y365 HydrophobicContact CD-CD2 3.85Å; K279-Y365 HydrophobicContact CD-CE2 4.1Å; K279-Y365 HydrophobicContact CD-CG 4.48Å; K279-Y365 VanDerWaalsContact CE-CG 3.5Å; K279-Y365 HydrophobicContact CG-CD2 4.2Å; K279-Y365 HydrophobicContact CG-CE2 3.96Å; K279-Y432 HydrophobicContact CD-CE1 4.46Å; K279-Y432 WeakPolarHBondContact CE-OH 3.2Å
280	C	89.7	Confident	81.4	Confident	18 Å²	18	68.2 Å²	68.2	12%	0.122	35%	0.351	C	S	.	.	H	α-helix	trans	-63.6	-35.4	175.3	-66.6	0	0	0	0	113.1	W276 L277 T278 S284 Y365 F369	W276-C280 PolarHBondContact O-N 2.98Å; W276-C280 PolarHBondContact O-SG 2.93Å; L277-C280 PolarHBondContact O-N 3.34Å; T278-C280 VanDerWaalsContact C-N 3.33Å; T278-C280 PolarHBondContact O-N 3.43Å; C280-S284 PolarHBondContact O-N 2.83Å; C280-Y365 WeakPolarHBondContact CA-OH 3.49Å; C280-F369 HydrophobicContact CB-CE2 4.38Å
281	A	87.8	Confident	79.7	Confident	63 Å²	63	69.4 Å²	69.4	52%	0.521	36%	0.359	S	S	.	.	H	α-helix	trans	-68.2	-44.6	175.2	0	0	0	0	0	111.4	L277 T278 K279 S284	L277-A281 PolarHBondContact O-N 3.29Å; T278-A281 WeakPolarHBondContact O-CB 3.46Å; T278-A281 PolarHBondContact O-N 3.35Å; T278-A281 VanDerWaalsContact O-N 3.11Å; K279-A281 VanDerWaalsContact C-N 3.31Å; K279-A281 PolarHBondContact O-N 3.31Å; A281-S284 WeakPolarHBondContact O-CB 3.41Å; A281-S284 PolarHBondContact O-OG 2.88Å
282	D	86.2	Confident	78.1	Confident	123 Å²	123	70 Å²	70	66%	0.658	37%	0.365	S	S	*	.	H	α-helix	trans	-68.4	-38.1	-177.6	-64.4	-20.2	0	0	0	112.7	T278 K279	T278-D282 VanDerWaalsContact O-CG 3.29Å; T278-D282 PolarHBondContact O-N 3.27Å; K279-D282 PolarHBondContact O-N 3.36Å
283	D	81.5	Confident	76.8	Confident	43 Å²	43	75.3 Å²	75.3	23%	0.23	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	14.9	-176.9	-68.3	-37.5	0	0	0	113.6	K279 E285 T286 A287 Y365	K279-D283 WeakPolarHBondContact CG-OD2 3.5Å; K279-D283 IonicContact NZ-OD2 2.93Å; K279-D283 PolarHBondContact NZ-OD2 3.15Å; K279-D283 WeakPolarHBondContact O-CB 3.47Å; K279-D283 PolarHBondContact O-N 2.85Å; D283-E285 VanDerWaalsContact C-N 3.31Å; D283-E285 PolarHBondContact O-N 2.98Å; D283-T286 PolarHBondContact O-N 3.41Å; D283-A287 PolarHBondContact O-N 3.2Å; D283-Y365 HydrophobicContact CB-CD1 4.43Å; D283-Y365 HydrophobicContact CB-CE1 3.62Å
284	S	69.8	Low	76.2	Confident	45 Å²	45	78.1 Å²	78.1	32%	0.315	41%	0.405	S	S	.	.	H	α-helix	trans	-55.8	-35.2	-171.2	51.6	0	0	0	0	114.9	C280 A281 T286 A287 N288	C280-S284 PolarHBondContact O-N 2.83Å; A281-S284 WeakPolarHBondContact O-CB 3.41Å; A281-S284 PolarHBondContact O-OG 2.88Å; S284-T286 VanDerWaalsContact C-N 3.33Å; S284-T286 PolarHBondContact O-N 3.47Å; S284-A287 PolarHBondContact O-N 2.88Å; S284-N288 WeakPolarHBondContact O-CB 3.35Å; S284-N288 VanDerWaalsContact O-CG 3.22Å; S284-N288 PolarHBondContact O-N 3.46Å; S284-N288 PolarHBondContact O-ND2 2.71Å
285	E	63.6	Low	75.8	Confident	156 Å²	156	73.4 Å²	73.4	73%	0.729	39%	0.389	S	S	*	.	H	α-helix	trans	-64.7	-33.8	176	-68.3	-63.8	147.4	0	0	112.9	D283	D283-E285 VanDerWaalsContact C-N 3.31Å; D283-E285 PolarHBondContact O-N 2.98Å
286	T	61.1	Low	75.6	Confident	55 Å²	55	71.8 Å²	71.8	34%	0.337	39%	0.386	S	S	.	.	H	α-helix	trans	-79.7	-32.3	178.1	-50.5	0	0	0	0	111.4	D283 S284 L362 L366	D283-T286 PolarHBondContact O-N 3.41Å; S284-T286 VanDerWaalsContact C-N 3.33Å; S284-T286 PolarHBondContact O-N 3.47Å; T286-L362 HydrophobicContact CG2-CD1 4.06Å; T286-L362 HydrophobicContact CG2-CD2 4.38Å; T286-L366 HydrophobicContact CG2-CD1 4.43Å; T286-L366 HydrophobicContact CG2-CD2 4.24Å
287	A	58.1	Low	75.5	Confident	3 Å²	3	71.8 Å²	71.8	3%	0.025	39%	0.386	C	S	.	.	H	α-helix	trans	-67.6	-44.6	175.5	0	0	0	0	0	112.9	D283 S284 Y289 I290 F369	D283-A287 PolarHBondContact O-N 3.2Å; S284-A287 PolarHBondContact O-N 2.88Å; A287-Y289 VanDerWaalsContact C-N 3.27Å; A287-Y289 PolarHBondContact O-N 2.84Å; A287-I290 PolarHBondContact O-N 3.32Å; A287-F369 HydrophobicContact CB-CD1 4.03Å; A287-F369 HydrophobicContact CB-CE1 3.38Å; A287-F369 HydrophobicContact CB-CE2 4.18Å; A287-F369 HydrophobicContact CB-CZ 3.47Å; A287-F369 VanDerWaalsContact CB-CZ 3.47Å
288	N	59.7	Low	75.5	Confident	106 Å²	106	71.3 Å²	71.3	57%	0.567	39%	0.387	S	S	*	.	H	α-helix	trans	-64.5	-29.4	-178.6	-73	-22	0	0	0	113.2	S284 I290	S284-N288 WeakPolarHBondContact O-CB 3.35Å; S284-N288 VanDerWaalsContact O-CG 3.22Å; S284-N288 PolarHBondContact O-N 3.46Å; S284-N288 PolarHBondContact O-ND2 2.71Å; N288-I290 PolarHBondContact O-N 3.35Å
289	Y	56.5	Low	75.5	Confident	215 Å²	215	74.3 Å²	74.3	84%	0.843	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-21.2	178.5	-173.9	-98.9	0	0	0	113.4	A287	A287-Y289 VanDerWaalsContact C-N 3.27Å; A287-Y289 PolarHBondContact O-N 2.84Å
290	I	56.4	Low	75.7	Confident	59 Å²	59	74 Å²	74	30%	0.303	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-16.7	-169.8	-67.2	167.1	0	0	0	112.7	A287 N288 A292 L366 E370	A287-I290 PolarHBondContact O-N 3.32Å; N288-I290 PolarHBondContact O-N 3.35Å; I290-A292 VanDerWaalsContact C-N 3.32Å; I290-A292 PolarHBondContact O-N 3.27Å; I290-L366 HydrophobicContact CD1-CD1 3.52Å; I290-L366 HydrophobicContact CD1-CD2 3.41Å; I290-L366 VanDerWaalsContact CD1-CD2 3.41Å; I290-L366 HydrophobicContact CD1-CG 3.98Å; I290-E370 HydrophobicContact CG2-CG 3.9Å; I290-E370 VanDerWaalsContact CG2-OE1 3.29Å; I290-E370 WeakPolarHBondContact CG2-OE1 3.33Å
291	S	58.2	Low	75.8	Confident	37 Å²	37	78.7 Å²	78.7	26%	0.259	42%	0.422	S	S	.	.			trans	-77.7	75.9	-176.3	73.3	0	0	0	0	112.7
292	A	60	Low	76	Confident	59 Å²	59	78.6 Å²	78.6	49%	0.488	41%	0.412	S	S	.	.			trans	-78.8	125	168.2	0	0	0	0	0	110.1	I290 T294	I290-A292 VanDerWaalsContact C-N 3.32Å; I290-A292 PolarHBondContact O-N 3.27Å; A292-T294 WeakPolarHBondContact CB-O 3.49Å; A292-T294 PolarHBondContact O-N 2.98Å
293	H	68.5	Low	76.2	Confident	129 Å²	129	76.4 Å²	76.4	60%	0.597	41%	0.405	S	S	*	.	S	Bend	trans	-74.2	-11.1	173.2	-68.1	84.2	0	0	0	112.4
294	T	81.1	Confident	76.6	Confident	64 Å²	64	75.5 Å²	75.5	39%	0.393	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	145.7	-179.5	55.8	0	0	0	0	110.5	A292 I304 E305	A292-T294 WeakPolarHBondContact CB-O 3.49Å; A292-T294 PolarHBondContact O-N 2.98Å; T294-I304 VanDerWaalsContact CA-O 3.29Å; T294-I304 WeakPolarHBondContact CA-O 3.42Å; T294-E305 HydrophobicContact CG2-CB 4.2Å; T294-E305 HydrophobicContact CG2-CG 4.43Å
295	K	88.4	Confident	77.4	Confident	53 Å²	53	79.9 Å²	79.9	23%	0.23	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	153.3	173.8	-64	-172.3	-176.9	-174.2	0	109.6	I304 W324 L327	K295-I304 PolarHBondContact N-O 2.98Å; K295-I304 PolarHBondContact O-N 3.33Å; K295-W324 HydrophobicContact CB-CE3 4.45Å; K295-W324 HydrophobicContact CB-CH2 3.67Å; K295-W324 HydrophobicContact CB-CZ2 4.17Å; K295-W324 HydrophobicContact CB-CZ3 3.82Å; K295-W324 HydrophobicContact CD-CD2 4.14Å; K295-W324 HydrophobicContact CD-CE3 4.39Å; K295-W324 HydrophobicContact CD-CH2 4.25Å; K295-W324 HydrophobicContact CD-CZ2 3.95Å; K295-W324 HydrophobicContact CD-CZ3 4.45Å; K295-W324 HydrophobicContact CG-CH2 3.75Å; K295-W324 HydrophobicContact CG-CZ2 3.71Å; K295-W324 HydrophobicContact CG-CZ3 4.24Å; K295-W324 PolarHBondContact NZ-O 2.92Å; K295-L327 HydrophobicContact CB-CD2 4.46Å; K295-L327 HydrophobicContact CD-CD2 4.02Å
296	D	90.8	Very high	78.5	Confident	89 Å²	89	73.8 Å²	73.8	48%	0.476	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	142.2	177.4	-67	-26.9	0	0	0	111.6	I302 C303	D296-I302 WeakPolarHBondContact CA-O 3.3Å; D296-C303 WeakPolarHBondContact OD1-CA 3.21Å
297	C	91.6	Very high	79.4	Confident	1 Å²	1	77.2 Å²	77.2	1%	0.007	40%	0.403	C	S	.	.			trans	-60.3	128.3	172.7	179.3	0	0	0	0	110.5	K299 C300 N301 I302 I304	C297-K299 PolarHBondContact O-N 3.41Å; C297-C300 PolarHBondContact O-N 2.89Å; C297-C300 VanDerWaalsContact SG-SG 3.66Å; C297-N301 VanDerWaalsContact O-CA 3.27Å; C297-N301 WeakPolarHBondContact O-CA 3.42Å; C297-N301 PolarHBondContact O-N 2.93Å; C297-I302 HydrophobicContact CB-CG2 4.03Å; C297-I302 PolarHBondContact N-O 3.02Å; C297-I304 HydrophobicContact CB-CD1 3.78Å
298	P	93.6	Very high	80.6	Confident	57 Å²	57	77.2 Å²	77.2	37%	0.37	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-15	-177.2	26.2	-35.8	0	0	0	114.2	F322 L327	P298-F322 HydrophobicContact CG-CB 3.95Å; P298-F322 HydrophobicContact CG-CD1 4.39Å; P298-F322 HydrophobicContact CG-CD2 4.04Å; P298-F322 HydrophobicContact CG-CG 3.87Å; P298-L327 HydrophobicContact CB-CB 4.45Å; P298-L327 WeakPolarHBondContact CB-O 3.33Å; P298-L327 WeakPolarHBondContact CG-O 3.49Å
299	K	93	Very high	81.9	Confident	136 Å²	136	72.1 Å²	72.1	59%	0.591	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-36.9	-178	-171.4	177.6	-176.5	179.9	0	114	C297 H320	C297-K299 PolarHBondContact O-N 3.41Å; K299-H320 HydrophobicContact CB-CB 4.3Å; K299-H320 HydrophobicContact CD-CB 3.73Å
300	C	94.4	Very high	83.5	Confident	42 Å²	42	61.9 Å²	61.9	28%	0.284	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	2.6	-172.9	72.4	0	0	0	0	114.7	C297 I302 C318	C297-C300 PolarHBondContact O-N 2.89Å; C297-C300 VanDerWaalsContact SG-SG 3.66Å; C300-I302 PolarHBondContact O-N 2.72Å; C300-C318 HydrophobicContact CB-CB 4.16Å
301	N	92.1	Very high	85.2	Confident	118 Å²	118	59.3 Å²	59.3	63%	0.631	32%	0.322	S	S	*	.			trans	56.3	24.2	172.4	-57.6	35.8	0	0	0	114.5	C297	C297-N301 VanDerWaalsContact O-CA 3.27Å; C297-N301 WeakPolarHBondContact O-CA 3.42Å; C297-N301 PolarHBondContact O-N 2.93Å
302	I	91.8	Very high	86.8	Confident	61 Å²	61	58.4 Å²	58.4	31%	0.313	31%	0.314	S	S	.	.			trans	-78.3	136.3	168.6	-161.9	164.3	0	0	0	109	D296 C297 C300 I304 K317	D296-I302 WeakPolarHBondContact CA-O 3.3Å; C297-I302 HydrophobicContact CB-CG2 4.03Å; C297-I302 PolarHBondContact N-O 3.02Å; C300-I302 PolarHBondContact O-N 2.72Å; I302-I304 HydrophobicContact CG2-CD1 4.5Å; I302-I304 HydrophobicContact CG2-CG1 4.22Å; I302-I304 PolarHBondContact O-N 3.18Å; I302-K317 HydrophobicContact CD1-CB 4.45Å; I302-K317 HydrophobicContact CD1-CD 4Å
303	C	90.2	Very high	88.3	Confident	77 Å²	77	56 Å²	56	52%	0.52	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	129.3	174.2	-177.5	0	0	0	0	109.9	D296	D296-C303 WeakPolarHBondContact OD1-CA 3.21Å
304	I	88.8	Confident	89.5	Confident	24 Å²	24	54 Å²	54	12%	0.123	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.7	179.5	-63.7	172.6	0	0	0	108	T294 K295 C297 I302 C315 F322 W324	T294-I304 VanDerWaalsContact CA-O 3.29Å; T294-I304 WeakPolarHBondContact CA-O 3.42Å; K295-I304 PolarHBondContact N-O 2.98Å; K295-I304 PolarHBondContact O-N 3.33Å; C297-I304 HydrophobicContact CB-CD1 3.78Å; I302-I304 HydrophobicContact CG2-CD1 4.5Å; I302-I304 HydrophobicContact CG2-CG1 4.22Å; I302-I304 PolarHBondContact O-N 3.18Å; I304-C315 HydrophobicContact CD1-CB 4.26Å; I304-F322 HydrophobicContact CD1-CE1 3.85Å; I304-F322 HydrophobicContact CD1-CZ 3.73Å; I304-W324 HydrophobicContact CB-CZ3 4.37Å; I304-W324 HydrophobicContact CG2-CZ3 4.05Å; I304-W324 WeakPolarHBondContact O-CH2 3.43Å
305	E	87.4	Confident	90	Very high	137 Å²	137	50.9 Å²	50.9	64%	0.64	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	141.8	169.8	-174	177.8	176.8	0	0	109.8	T294 N307	T294-E305 HydrophobicContact CG2-CB 4.2Å; T294-E305 HydrophobicContact CG2-CG 4.43Å; E305-N307 PolarHBondContact O-N 3.33Å
306	K	85.8	Confident	90.1	Very high	27 Å²	27	52.6 Å²	52.6	12%	0.117	28%	0.283	C	S	.	.			trans	-74.8	116.9	178.4	-164.7	-179.9	-166.7	-179.3	0	110.1	G308 N311 W324 N374 S378 L381	K306-G308 WeakPolarHBondContact CE-O 3.4Å; K306-G308 WeakPolarHBondContact CG-O 3.36Å; K306-N311 PolarHBondContact NZ-OD1 3.19Å; K306-W324 HydrophobicContact CB-CH2 4.2Å; K306-W324 HydrophobicContact CB-CZ2 3.87Å; K306-W324 HydrophobicContact CD-CD2 4.48Å; K306-W324 HydrophobicContact CD-CG 4.39Å; K306-N374 PolarHBondContact NZ-OD1 3.37Å; K306-S378 PolarHBondContact NZ-OG 2.75Å; K306-L381 HydrophobicContact CD-CD1 4.37Å; K306-L381 HydrophobicContact CG-CD1 4.41Å
307	N	80.8	Confident	90.2	Very high	128 Å²	128	55.5 Å²	55.5	68%	0.684	29%	0.292	S	S	*	.			trans	-114.8	16.9	-174.6	68.8	-24.9	0	0	0	114.2	E305	E305-N307 PolarHBondContact O-N 3.33Å
308	G	84.4	Confident	90.3	Very high	2 Å²	2	57.3 Å²	57.3	2%	0.021	30%	0.304	C	S	.	.	S	Bend	trans	-166	167.1	-176	0	0	0	0	0	111.8	K306 C310 L381 E462	K306-G308 WeakPolarHBondContact CE-O 3.4Å; K306-G308 WeakPolarHBondContact CG-O 3.36Å; G308-C310 VanDerWaalsContact C-N 3.29Å; G308-L381 WeakPolarHBondContact O-CD1 3.33Å; G308-E462 VanDerWaalsContact CA-OE1 3.24Å; G308-E462 WeakPolarHBondContact CA-OE1 3.41Å
309	G	86	Confident	90.3	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.313	C	S	.	.	S	Bend	trans	-73.5	-25.3	177.5	0	0	0	0	0	112.4	S378 R421 E462	G309-S378 WeakPolarHBondContact O-CB 3.5Å; G309-S378 PolarHBondContact O-OG 3.38Å; G309-R421 PolarHBondContact O-NH2 2.83Å; G309-E462 PolarHBondContact N-OE1 3.22Å
310	C	90.6	Very high	90.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.293	C	S	.	.			trans	-68.6	132	-176.1	-166	0	0	0	0	112.4	G308 H312 E455 S458 E462	G308-C310 VanDerWaalsContact C-N 3.29Å; C310-H312 VanDerWaalsContact C-N 3.32Å; C310-H312 WeakPolarHBondContact SG-CB 3.23Å; C310-H312 PolarHBondContact SG-N 3.01Å; C310-H312 VanDerWaalsContact SG-N 3.42Å; C310-E455 WeakPolarHBondContact CA-OE2 3.42Å; C310-E455 PolarHBondContact SG-O 2.75Å; C310-S458 WeakPolarHBondContact CA-OG 3.47Å; C310-S458 WeakPolarHBondContact CB-OG 3.3Å; C310-S458 PolarHBondContact N-OG 3.44Å; C310-E462 PolarHBondContact N-OE1 3.15Å; C310-E462 VanDerWaalsContact N-OE1 3.08Å
311	N	91.1	Very high	90.3	Very high	4 Å²	4	56 Å²	56	2%	0.021	29%	0.29	C	S	.	.	S	Bend	trans	-83.8	-9.9	174.1	-66.7	-51.8	0	0	0	112.7	K306 M313 C323 W324 N374 E455	K306-N311 PolarHBondContact NZ-OD1 3.19Å; N311-M313 PolarHBondContact O-N 2.95Å; N311-C323 WeakPolarHBondContact O-CA 3.43Å; N311-W324 HydrophobicContact CB-CB 4.34Å; N311-W324 PolarHBondContact O-N 2.89Å; N311-N374 PolarHBondContact ND2-ND2 2.88Å; N311-N374 VanDerWaalsContact ND2-ND2 3.18Å; N311-N374 PolarHBondContact OD1-ND2 2.96Å; N311-N374 PolarHBondContact OD1-OD1 2.99Å; N311-E455 HydrophobicContact CB-CG 4.37Å; N311-E455 PolarHBondContact N-OE2 2.89Å; N311-E455 PolarHBondContact ND2-OE1 2.78Å
312	H	92.1	Very high	90.3	Very high	18 Å²	18	50.4 Å²	50.4	8%	0.083	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	106.2	168	-176.6	-160.3	0	0	0	109.5	C310 D321 W330 W459	C310-H312 VanDerWaalsContact C-N 3.32Å; C310-H312 WeakPolarHBondContact SG-CB 3.23Å; C310-H312 PolarHBondContact SG-N 3.01Å; C310-H312 VanDerWaalsContact SG-N 3.42Å; H312-D321 IonicContact NE2-OD1 3.87Å; H312-W330 HydrophobicContact CB-CD2 3.85Å; H312-W330 HydrophobicContact CB-CE3 3.91Å; H312-W330 HydrophobicContact CB-CH2 3.59Å; H312-W330 HydrophobicContact CB-CZ2 3.51Å; H312-W330 HydrophobicContact CB-CZ3 3.78Å; H312-W330 AromaticContact CD2-CD1 3.49Å; H312-W330 VanDerWaalsContact CD2-CD1 3.49Å; H312-W330 AromaticContact CD2-CD2 3.28Å; H312-W330 AromaticContact CD2-CE2 3.61Å; H312-W330 AromaticContact CD2-CE3 3.84Å; H312-W330 AromaticContact CD2-CG 3.24Å; H312-W330 AromaticContact CD2-NE1 3.68Å; H312-W330 AromaticContact CE1-CD1 3.71Å; H312-W330 AromaticContact CE1-NE1 3.75Å; H312-W330 AromaticContact CG-CD1 3.91Å; H312-W330 AromaticContact CG-CD2 3.54Å; H312-W330 AromaticContact CG-CE2 3.39Å; H312-W330 AromaticContact CG-CG 3.9Å; H312-W330 AromaticContact CG-CZ2 3.82Å; H312-W330 AromaticContact CG-NE1 3.59Å; H312-W330 AromaticContact ND1-CE2 3.86Å; H312-W330 AromaticContact ND1-NE1 3.62Å; H312-W330 AromaticContact NE2-CD1 3.36Å; H312-W330 AromaticContact NE2-CG 3.5Å; H312-W330 AromaticContact NE2-NE1 3.78Å; H312-W459 HydrophobicContact CB-CE3 3.89Å; H312-W459 HydrophobicContact CB-CZ3 4.3Å; H312-W459 AromaticContact CE1-CD2 3.89Å; H312-W459 AromaticContact CE1-CE2 3.99Å; H312-W459 AromaticContact CE1-CE3 3.73Å; H312-W459 AromaticContact CE1-CH2 3.71Å; H312-W459 AromaticContact CE1-CZ2 3.92Å; H312-W459 AromaticContact CE1-CZ3 3.62Å; H312-W459 AromaticContact CG-CE3 3.61Å; H312-W459 AromaticContact CG-CZ3 3.75Å; H312-W459 AromaticContact ND1-CD2 3.36Å; H312-W459 AromaticContact ND1-CE2 3.93Å; H312-W459 AromaticContact ND1-CE3 3.1Å; H312-W459 AromaticContact ND1-CG 3.95Å; H312-W459 AromaticContact ND1-CH2 3.95Å; H312-W459 AromaticContact ND1-CZ3 3.41Å; H312-W459 WeakPolarHBondContact ND1-CZ3 3.49Å; H312-W459 WeakPolarHBondContact O-CZ3 3.36Å
313	M	92.1	Very high	90.4	Very high	10 Å²	10	47.7 Å²	47.7	5%	0.049	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.4	-176.5	-65.8	-87.1	75.7	0	0	110.8	N311 D321 F322 W324	N311-M313 PolarHBondContact O-N 2.95Å; M313-D321 CarbonylContact O-C 3.54Å; M313-D321 VanDerWaalsContact O-CA 3.29Å; M313-D321 WeakPolarHBondContact O-CA 3.38Å; M313-F322 HydrophobicContact CB-CD1 4.31Å; M313-F322 HydrophobicContact CB-CE1 3.86Å; M313-F322 HydrophobicContact CB-CE2 4.16Å; M313-F322 HydrophobicContact CB-CZ 3.77Å; M313-F322 PolarHBondContact N-O 2.83Å; M313-F322 WeakPolarHBondContact O-CD1 3.05Å; M313-F322 PolarHBondContact O-N 3.48Å; M313-W324 HydrophobicContact CG-CB 4Å; M313-W324 HydrophobicContact CG-CE3 3.99Å; M313-W324 HydrophobicContact SD-CE3 4.17Å
314	Q	92.4	Very high	90.4	Very high	85 Å²	85	44.6 Å²	44.6	40%	0.397	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.3	171.4	-175.8	175.9	90.4	0	0	109.8	S316 D321 W459	Q314-S316 PolarHBondContact O-N 2.71Å; Q314-D321 WeakPolarHBondContact CB-OD1 3.3Å; Q314-D321 VanDerWaalsContact CG-OD1 3.31Å; Q314-D321 WeakPolarHBondContact CG-OD1 3.36Å; Q314-D321 PolarHBondContact NE2-OD1 3.23Å; Q314-W459 HydrophobicContact CB-CH2 4.35Å
315	C	92.9	Very high	90.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.222	C	C	.	.			trans	-63	124.5	178.1	178.5	0	0	0	0	111.2	I304 K317 C318 K319 H320 F322	I304-C315 HydrophobicContact CD1-CB 4.26Å; C315-K317 VanDerWaalsContact C-N 3.26Å; C315-K317 PolarHBondContact O-N 2.81Å; C315-C318 VanDerWaalsContact CB-SG 3.57Å; C315-C318 PolarHBondContact SG-N 3.41Å; C315-C318 VanDerWaalsContact SG-N 3.44Å; C315-K319 WeakPolarHBondContact O-CA 3.41Å; C315-K319 PolarHBondContact O-N 3.39Å; C315-H320 PolarHBondContact N-O 2.71Å; C315-F322 HydrophobicContact CB-CE1 4.49Å
316	S	90.8	Very high	90.5	Very high	88 Å²	88	40.1 Å²	40.1	62%	0.615	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-36.6	179.7	58	0	0	0	0	113.2	Q314 K319	Q314-S316 PolarHBondContact O-N 2.71Å; S316-K319 WeakPolarHBondContact O-CE 3.35Å; S316-K319 PolarHBondContact O-NZ 3.44Å; S316-K319 VanDerWaalsContact O-NZ 3.07Å
317	K	92.6	Very high	90.7	Very high	151 Å²	151	42 Å²	42	66%	0.657	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-52.6	-177.4	-175	176.3	-179.7	-178.5	0	113.8	I302 C315	I302-K317 HydrophobicContact CD1-CB 4.45Å; I302-K317 HydrophobicContact CD1-CD 4Å; C315-K317 VanDerWaalsContact C-N 3.26Å; C315-K317 PolarHBondContact O-N 2.81Å
318	C	94.1	Very high	91.1	Very high	38 Å²	38	36.8 Å²	36.8	26%	0.257	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-1.3	-172.7	76.1	0	0	0	0	114.7	C300 C315 H320	C300-C318 HydrophobicContact CB-CB 4.16Å; C315-C318 VanDerWaalsContact CB-SG 3.57Å; C315-C318 PolarHBondContact SG-N 3.41Å; C315-C318 VanDerWaalsContact SG-N 3.44Å; C318-H320 PolarHBondContact O-N 3.24Å; C318-H320 VanDerWaalsContact SG-CB 3.6Å
319	K	93.8	Very high	91.4	Very high	129 Å²	129	39.6 Å²	39.6	56%	0.561	21%	0.209	S	C	*	.			trans	54.6	21.6	179.8	-53.1	-56.9	-172.4	-169.5	0	114.7	C315 S316	C315-K319 WeakPolarHBondContact O-CA 3.41Å; C315-K319 PolarHBondContact O-N 3.39Å; S316-K319 WeakPolarHBondContact O-CE 3.35Å; S316-K319 PolarHBondContact O-NZ 3.44Å; S316-K319 VanDerWaalsContact O-NZ 3.07Å
320	H	93.4	Very high	91.6	Very high	39 Å²	39	41.3 Å²	41.3	18%	0.181	22%	0.216	C	C	.	.			trans	-79.5	128.4	173	-179.1	47.8	0	0	0	110	K299 C315 C318 D329	K299-H320 HydrophobicContact CB-CB 4.3Å; K299-H320 HydrophobicContact CD-CB 3.73Å; C315-H320 PolarHBondContact N-O 2.71Å; C318-H320 PolarHBondContact O-N 3.24Å; C318-H320 VanDerWaalsContact SG-CB 3.6Å; H320-D329 IonicContact CE1-OD2 2.86Å
321	D	93.1	Very high	91.4	Very high	40 Å²	40	49.7 Å²	49.7	21%	0.214	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	128.1	173.8	-50.5	-74.9	0	0	0	110.6	H312 M313 Q314 W330	H312-D321 IonicContact NE2-OD1 3.87Å; M313-D321 CarbonylContact O-C 3.54Å; M313-D321 VanDerWaalsContact O-CA 3.29Å; M313-D321 WeakPolarHBondContact O-CA 3.38Å; Q314-D321 WeakPolarHBondContact CB-OD1 3.3Å; Q314-D321 VanDerWaalsContact CG-OD1 3.31Å; Q314-D321 WeakPolarHBondContact CG-OD1 3.36Å; Q314-D321 PolarHBondContact NE2-OD1 3.23Å; D321-W330 HydrophobicContact CB-CB 3.96Å; D321-W330 PolarHBondContact O-N 3.4Å
322	F	93.1	Very high	91.1	Very high	1 Å²	1	52.1 Å²	52.1	0%	0.004	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	163.4	-177.5	69.6	-80.7	0	0	0	110.9	P298 I304 M313 C315 W324 L327 G328	P298-F322 HydrophobicContact CG-CB 3.95Å; P298-F322 HydrophobicContact CG-CD1 4.39Å; P298-F322 HydrophobicContact CG-CD2 4.04Å; P298-F322 HydrophobicContact CG-CG 3.87Å; I304-F322 HydrophobicContact CD1-CE1 3.85Å; I304-F322 HydrophobicContact CD1-CZ 3.73Å; M313-F322 HydrophobicContact CB-CD1 4.31Å; M313-F322 HydrophobicContact CB-CE1 3.86Å; M313-F322 HydrophobicContact CB-CE2 4.16Å; M313-F322 HydrophobicContact CB-CZ 3.77Å; M313-F322 PolarHBondContact N-O 2.83Å; M313-F322 WeakPolarHBondContact O-CD1 3.05Å; M313-F322 PolarHBondContact O-N 3.48Å; C315-F322 HydrophobicContact CB-CE1 4.49Å; F322-W324 HydrophobicContact CE2-CE3 4.48Å; F322-L327 HydrophobicContact CD2-CD2 4.13Å; F322-L327 HydrophobicContact CE2-CD2 3.95Å; F322-G328 VanDerWaalsContact CA-O 3.31Å; F322-G328 WeakPolarHBondContact CA-O 3.3Å; F322-G328 WeakPolarHBondContact CB-O 3.24Å
323	C	92.3	Very high	90.5	Very high	4 Å²	4	53 Å²	53	3%	0.027	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	130.3	176.4	174.4	0	0	0	0	111.9	N311 M325 L327 G328 W330 H333	N311-C323 WeakPolarHBondContact O-CA 3.43Å; C323-M325 PolarHBondContact O-N 3.36Å; C323-M325 PolarHBondContact SG-N 2.89Å; C323-M325 VanDerWaalsContact SG-N 3.4Å; C323-L327 WeakPolarHBondContact O-CA 3.31Å; C323-L327 PolarHBondContact O-N 3.02Å; C323-G328 PolarHBondContact N-O 3.08Å; C323-W330 HydrophobicContact CB-CE3 3.88Å; C323-W330 HydrophobicContact CB-CZ3 3.96Å; C323-H333 WeakPolarHBondContact CB-CE1 3.38Å; C323-H333 WeakPolarHBondContact CB-NE2 3.35Å; C323-H333 PolarHBondContact SG-NE2 3.13Å
324	W	91.1	Very high	89.4	Confident	11 Å²	11	55.6 Å²	55.6	4%	0.042	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-31.3	177.9	-174.2	-106.3	0	0	0	113.6	K295 I304 K306 N311 M313 F322	K295-W324 HydrophobicContact CB-CE3 4.45Å; K295-W324 HydrophobicContact CB-CH2 3.67Å; K295-W324 HydrophobicContact CB-CZ2 4.17Å; K295-W324 HydrophobicContact CB-CZ3 3.82Å; K295-W324 HydrophobicContact CD-CD2 4.14Å; K295-W324 HydrophobicContact CD-CE3 4.39Å; K295-W324 HydrophobicContact CD-CH2 4.25Å; K295-W324 HydrophobicContact CD-CZ2 3.95Å; K295-W324 HydrophobicContact CD-CZ3 4.45Å; K295-W324 HydrophobicContact CG-CH2 3.75Å; K295-W324 HydrophobicContact CG-CZ2 3.71Å; K295-W324 HydrophobicContact CG-CZ3 4.24Å; K295-W324 PolarHBondContact NZ-O 2.92Å; I304-W324 HydrophobicContact CB-CZ3 4.37Å; I304-W324 HydrophobicContact CG2-CZ3 4.05Å; I304-W324 WeakPolarHBondContact O-CH2 3.43Å; K306-W324 HydrophobicContact CB-CH2 4.2Å; K306-W324 HydrophobicContact CB-CZ2 3.87Å; K306-W324 HydrophobicContact CD-CD2 4.48Å; K306-W324 HydrophobicContact CD-CG 4.39Å; N311-W324 HydrophobicContact CB-CB 4.34Å; N311-W324 PolarHBondContact O-N 2.89Å; M313-W324 HydrophobicContact CG-CB 4Å; M313-W324 HydrophobicContact CG-CE3 3.99Å; M313-W324 HydrophobicContact SD-CE3 4.17Å; F322-W324 HydrophobicContact CE2-CE3 4.48Å
325	M	89.2	Confident	88.5	Confident	20 Å²	20	54 Å²	54	10%	0.099	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-54.4	-175.8	-69.8	-54.1	-65	0	0	112.7	C323 E370 R371 N374	C323-M325 PolarHBondContact O-N 3.36Å; C323-M325 PolarHBondContact SG-N 2.89Å; C323-M325 VanDerWaalsContact SG-N 3.4Å; M325-E370 HydrophobicContact CE-CB 4.17Å; M325-R371 HydrophobicContact CE-CB 4.34Å; M325-R371 HydrophobicContact CE-CG 3.64Å; M325-N374 HydrophobicContact CE-CB 3.96Å; M325-N374 HydrophobicContact SD-CB 3.43Å; M325-N374 WeakPolarHBondContact SD-CB 3.23Å; M325-N374 PolarHBondContact SD-ND2 3.05Å
326	C	88.6	Confident	87	Confident	48 Å²	48	61.9 Å²	61.9	32%	0.324	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-7.5	-173.2	62.7	0	0	0	0	114.3	G328 H333 Y338	C326-G328 PolarHBondContact O-N 3.32Å; C326-G328 VanDerWaalsContact O-N 3.11Å; C326-G328 PolarHBondContact SG-N 2.79Å; C326-H333 PolarHBondContact SG-CE1 3.37Å; C326-H333 PolarHBondContact SG-NE2 3.16Å; C326-H333 VanDerWaalsContact SG-NE2 3.39Å; C326-Y338 PolarHBondContact SG-OH 3.46Å
327	L	90.4	Very high	85.6	Confident	66 Å²	66	67.4 Å²	67.4	35%	0.346	34%	0.344	S	S	.	.			trans	59.6	13.1	-173.8	-52.6	178.1	0	0	0	114.7	K295 P298 F322 C323	K295-L327 HydrophobicContact CB-CD2 4.46Å; K295-L327 HydrophobicContact CD-CD2 4.02Å; P298-L327 HydrophobicContact CB-CB 4.45Å; P298-L327 WeakPolarHBondContact CB-O 3.33Å; P298-L327 WeakPolarHBondContact CG-O 3.49Å; F322-L327 HydrophobicContact CD2-CD2 4.13Å; F322-L327 HydrophobicContact CE2-CD2 3.95Å; C323-L327 WeakPolarHBondContact O-CA 3.31Å; C323-L327 PolarHBondContact O-N 3.02Å
328	G	89.6	Confident	84.3	Confident	18 Å²	18	63.3 Å²	63.3	19%	0.186	33%	0.325	C	S	.	.			trans	-81.4	165.8	174.4	0	0	0	0	0	113.1	F322 C323 C326 W330	F322-G328 VanDerWaalsContact CA-O 3.31Å; F322-G328 WeakPolarHBondContact CA-O 3.3Å; F322-G328 WeakPolarHBondContact CB-O 3.24Å; C323-G328 PolarHBondContact N-O 3.08Å; C326-G328 PolarHBondContact O-N 3.32Å; C326-G328 VanDerWaalsContact O-N 3.11Å; C326-G328 PolarHBondContact SG-N 2.79Å; G328-W330 PolarHBondContact O-N 2.91Å
329	D	90.4	Very high	83.2	Confident	62 Å²	62	64.8 Å²	64.8	33%	0.332	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-58.4	134.1	177.5	-166.3	-33.2	0	0	0	110.6	H320 K331 T332 H333	H320-D329 IonicContact CE1-OD2 2.86Å; D329-K331 VanDerWaalsContact C-N 3.26Å; D329-K331 PolarHBondContact O-N 2.77Å; D329-K331 WeakPolarHBondContact OD1-CB 3.25Å; D329-K331 WeakPolarHBondContact OD1-CG 3.29Å; D329-K331 PolarHBondContact OD1-N 2.95Å; D329-T332 PolarHBondContact O-OG1 3.17Å; D329-H333 PolarHBondContact O-ND1 3.43Å
330	W	90.6	Very high	82.8	Confident	36 Å²	36	59.4 Å²	59.4	14%	0.136	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-65.5	-32	178	-169.3	-102.6	0	0	0	112.2	H312 D321 C323 G328 T332 H333 E455	H312-W330 HydrophobicContact CB-CD2 3.85Å; H312-W330 HydrophobicContact CB-CE3 3.91Å; H312-W330 HydrophobicContact CB-CH2 3.59Å; H312-W330 HydrophobicContact CB-CZ2 3.51Å; H312-W330 HydrophobicContact CB-CZ3 3.78Å; H312-W330 AromaticContact CD2-CD1 3.49Å; H312-W330 VanDerWaalsContact CD2-CD1 3.49Å; H312-W330 AromaticContact CD2-CD2 3.28Å; H312-W330 AromaticContact CD2-CE2 3.61Å; H312-W330 AromaticContact CD2-CE3 3.84Å; H312-W330 AromaticContact CD2-CG 3.24Å; H312-W330 AromaticContact CD2-NE1 3.68Å; H312-W330 AromaticContact CE1-CD1 3.71Å; H312-W330 AromaticContact CE1-NE1 3.75Å; H312-W330 AromaticContact CG-CD1 3.91Å; H312-W330 AromaticContact CG-CD2 3.54Å; H312-W330 AromaticContact CG-CE2 3.39Å; H312-W330 AromaticContact CG-CG 3.9Å; H312-W330 AromaticContact CG-CZ2 3.82Å; H312-W330 AromaticContact CG-NE1 3.59Å; H312-W330 AromaticContact ND1-CE2 3.86Å; H312-W330 AromaticContact ND1-NE1 3.62Å; H312-W330 AromaticContact NE2-CD1 3.36Å; H312-W330 AromaticContact NE2-CG 3.5Å; H312-W330 AromaticContact NE2-NE1 3.78Å; D321-W330 HydrophobicContact CB-CB 3.96Å; D321-W330 PolarHBondContact O-N 3.4Å; C323-W330 HydrophobicContact CB-CE3 3.88Å; C323-W330 HydrophobicContact CB-CZ3 3.96Å; G328-W330 PolarHBondContact O-N 2.91Å; W330-T332 PolarHBondContact O-N 2.75Å; W330-H333 HydrophobicContact CD2-CB 4.43Å; W330-H333 HydrophobicContact CE3-CB 4.46Å; W330-H333 WeakPolarHBondContact O-CB 3.22Å; W330-H333 PolarHBondContact O-N 3.28Å; W330-E455 HydrophobicContact CH2-CB 3.68Å; W330-E455 HydrophobicContact CH2-CG 4.1Å; W330-E455 HydrophobicContact CZ2-CB 4.01Å
331	K	86.8	Confident	82.4	Confident	176 Å²	176	57.8 Å²	57.8	77%	0.765	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-60.9	-24.1	-176.4	-67.4	179.9	179.5	-178.5	0	114	D329	D329-K331 VanDerWaalsContact C-N 3.26Å; D329-K331 PolarHBondContact O-N 2.77Å; D329-K331 WeakPolarHBondContact OD1-CB 3.25Å; D329-K331 WeakPolarHBondContact OD1-CG 3.29Å; D329-K331 PolarHBondContact OD1-N 2.95Å
332	T	84	Confident	82.2	Confident	54 Å²	54	60 Å²	60	33%	0.331	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-86.3	-17.8	177.3	57.4	0	0	0	0	112.3	D329 W330 S335 Y338	D329-T332 PolarHBondContact O-OG1 3.17Å; W330-T332 PolarHBondContact O-N 2.75Å; T332-S335 WeakPolarHBondContact O-CB 3.08Å; T332-S335 PolarHBondContact O-N 3.07Å; T332-S335 PolarHBondContact O-OG 3.43Å; T332-Y338 WeakPolarHBondContact O-CB 3.32Å; T332-Y338 WeakPolarHBondContact OG1-CD2 2.95Å; T332-Y338 VanDerWaalsContact OG1-CE2 3.27Å; T332-Y338 WeakPolarHBondContact OG1-CE2 3.43Å
333	H	80.1	Confident	82	Confident	37 Å²	37	61.4 Å²	61.4	17%	0.171	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	136.7	177.2	-73.4	67.5	0	0	0	110.9	C323 C326 D329 W330 S335 Y338	C323-H333 WeakPolarHBondContact CB-CE1 3.38Å; C323-H333 WeakPolarHBondContact CB-NE2 3.35Å; C323-H333 PolarHBondContact SG-NE2 3.13Å; C326-H333 PolarHBondContact SG-CE1 3.37Å; C326-H333 PolarHBondContact SG-NE2 3.16Å; C326-H333 VanDerWaalsContact SG-NE2 3.39Å; D329-H333 PolarHBondContact O-ND1 3.43Å; W330-H333 HydrophobicContact CD2-CB 4.43Å; W330-H333 HydrophobicContact CE3-CB 4.46Å; W330-H333 WeakPolarHBondContact O-CB 3.22Å; W330-H333 PolarHBondContact O-N 3.28Å; H333-S335 VanDerWaalsContact C-N 3.27Å; H333-S335 PolarHBondContact O-N 3.26Å; H333-Y338 AromaticContact CD2-CD1 3.96Å; H333-Y338 AromaticContact CD2-CE1 3.74Å; H333-Y338 AromaticContact CE1-CD1 3.86Å; H333-Y338 AromaticContact CE1-CE1 3.06Å; H333-Y338 WeakPolarHBondContact CE1-CE1 3.37Å; H333-Y338 AromaticContact CE1-CZ 3.47Å; H333-Y338 VanDerWaalsContact CE1-CZ 3.47Å; H333-Y338 AromaticContact CG-CD1 3.91Å; H333-Y338 AromaticContact CG-CE1 3.88Å; H333-Y338 AromaticContact ND1-CD1 3.85Å; H333-Y338 AromaticContact ND1-CE1 3.49Å; H333-Y338 WeakPolarHBondContact ND1-CE1 3.36Å; H333-Y338 AromaticContact ND1-CZ 3.97Å; H333-Y338 AromaticContact NE2-CD1 3.93Å; H333-Y338 AromaticContact NE2-CE1 3.21Å; H333-Y338 WeakPolarHBondContact NE2-CE1 3.45Å
334	G	68.9	Low	81.7	Confident	65 Å²	65	68.2 Å²	68.2	67%	0.67	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	-5.9	-174.1	0	0	0	0	0	114.5
335	S	72.2	Confident	81.3	Confident	52 Å²	52	71.7 Å²	71.7	36%	0.364	36%	0.357	S	S	.	.	S	Bend	trans	-75.9	148.9	166.9	73	0	0	0	0	111	T332 H333 Y337 Y338	T332-S335 WeakPolarHBondContact O-CB 3.08Å; T332-S335 PolarHBondContact O-N 3.07Å; T332-S335 PolarHBondContact O-OG 3.43Å; H333-S335 VanDerWaalsContact C-N 3.27Å; H333-S335 PolarHBondContact O-N 3.26Å; S335-Y337 PolarHBondContact O-N 3.29Å; S335-Y338 PolarHBondContact O-N 2.77Å; S335-Y338 VanDerWaalsContact O-N 3.15Å; S335-Y338 PolarHBondContact OG-N 2.85Å
336	E	61.3	Low	80.9	Confident	165 Å²	165	73.7 Å²	73.7	77%	0.771	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-19.2	177.3	-66.3	-178.2	170	0	0	113.6
337	Y	61.3	Low	80.4	Confident	203 Å²	203	76.4 Å²	76.4	80%	0.796	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-13.6	-174.9	-61.6	-81	0	0	0	113.8	S335	S335-Y337 PolarHBondContact O-N 3.29Å
338	Y	67	Low	79.9	Confident	66 Å²	66	78.2 Å²	78.2	26%	0.259	40%	0.395	S	S	.	.			trans	-99.4	108	-173.2	-163.1	-93.3	0	0	0	112.7	C326 T332 H333 S335 C340	C326-Y338 PolarHBondContact SG-OH 3.46Å; T332-Y338 WeakPolarHBondContact O-CB 3.32Å; T332-Y338 WeakPolarHBondContact OG1-CD2 2.95Å; T332-Y338 VanDerWaalsContact OG1-CE2 3.27Å; T332-Y338 WeakPolarHBondContact OG1-CE2 3.43Å; H333-Y338 AromaticContact CD2-CD1 3.96Å; H333-Y338 AromaticContact CD2-CE1 3.74Å; H333-Y338 AromaticContact CE1-CD1 3.86Å; H333-Y338 AromaticContact CE1-CE1 3.06Å; H333-Y338 WeakPolarHBondContact CE1-CE1 3.37Å; H333-Y338 AromaticContact CE1-CZ 3.47Å; H333-Y338 VanDerWaalsContact CE1-CZ 3.47Å; H333-Y338 AromaticContact CG-CD1 3.91Å; H333-Y338 AromaticContact CG-CE1 3.88Å; H333-Y338 AromaticContact ND1-CD1 3.85Å; H333-Y338 AromaticContact ND1-CE1 3.49Å; H333-Y338 WeakPolarHBondContact ND1-CE1 3.36Å; H333-Y338 AromaticContact ND1-CZ 3.97Å; H333-Y338 AromaticContact NE2-CD1 3.93Å; H333-Y338 AromaticContact NE2-CE1 3.21Å; H333-Y338 WeakPolarHBondContact NE2-CE1 3.45Å; S335-Y338 PolarHBondContact O-N 2.77Å; S335-Y338 VanDerWaalsContact O-N 3.15Å; S335-Y338 PolarHBondContact OG-N 2.85Å; Y338-C340 HydrophobicContact CD1-CB 3.97Å; Y338-C340 HydrophobicContact CE1-CB 3.65Å; Y338-C340 PolarHBondContact O-N 3.28Å
339	E	70.4	Confident	79.5	Confident	69 Å²	69	78.7 Å²	78.7	32%	0.322	39%	0.393	S	S	.	.			trans	-100	57.5	-169.7	-67.9	-179.7	136.8	0	0	112.2	S341 R342 K344	E339-S341 VanDerWaalsContact C-N 3.33Å; E339-S341 PolarHBondContact O-N 3.34Å; E339-R342 HydrophobicContact CB-CB 4.16Å; E339-R342 WeakPolarHBondContact OE1-CD 3.31Å; E339-R342 IonicContact OE1-CZ 3.71Å; E339-R342 IonicContact OE1-NH1 3.72Å; E339-R342 PolarHBondContact OE1-NH1 3.26Å; E339-K344 WeakPolarHBondContact OE2-CE 3.28Å; E339-K344 IonicContact OE2-NZ 3.74Å; E339-K344 PolarHBondContact OE2-NZ 2.78Å
340	C	85.2	Confident	79.1	Confident	16 Å²	16	80.9 Å²	80.9	11%	0.108	41%	0.408	C	S	.	.	S	Bend	trans	-63.2	-38.9	179.5	-163.5	0	0	0	0	112.8	Y338 R371	Y338-C340 HydrophobicContact CD1-CB 3.97Å; Y338-C340 HydrophobicContact CE1-CB 3.65Å; Y338-C340 PolarHBondContact O-N 3.28Å; C340-R371 VanDerWaalsContact O-CZ 3.3Å; C340-R371 PolarHBondContact O-NE 3.42Å; C340-R371 PolarHBondContact O-NH2 3.27Å
341	S	85.6	Confident	78.8	Confident	4 Å²	4	85.8 Å²	85.8	3%	0.028	44%	0.437	C	S	.	.	S	Bend	trans	-87.6	-12.3	-173.3	53.5	0	0	0	0	113.8	E339 F367 E451	E339-S341 VanDerWaalsContact C-N 3.33Å; E339-S341 PolarHBondContact O-N 3.34Å; S341-F367 WeakPolarHBondContact O-CE1 3.32Å; S341-E451 WeakPolarHBondContact CB-OE2 3.47Å
342	R	88.3	Confident	78.9	Confident	88 Å²	88	81.5 Å²	81.5	33%	0.332	42%	0.42	S	S	.	.			trans	-103	128.8	-171	-176.7	176.7	-169.7	-145.2	-8.9	112.5	E339 F367 E444	E339-R342 HydrophobicContact CB-CB 4.16Å; E339-R342 WeakPolarHBondContact OE1-CD 3.31Å; E339-R342 IonicContact OE1-CZ 3.71Å; E339-R342 IonicContact OE1-NH1 3.72Å; E339-R342 PolarHBondContact OE1-NH1 3.26Å; R342-F367 WeakPolarHBondContact O-CZ 3.33Å; R342-E444 WeakPolarHBondContact CD-OE2 3.45Å; R342-E444 WeakPolarHBondContact CG-OE2 3.41Å; R342-E444 IonicContact CZ-OE2 2.95Å; R342-E444 IonicContact NE-OE2 2.65Å; R342-E444 PolarHBondContact NE-OE2 2.92Å
343	Y	89	Confident	79.2	Confident	29 Å²	29	82.3 Å²	82.3	11%	0.114	43%	0.428	C	S	.	.			trans	-80.9	130.3	174.3	-172	-102.2	0	0	0	111.1	E345 E360 K364 F367 Y368	Y343-E345 HydrophobicContact CD1-CG 3.72Å; Y343-E345 HydrophobicContact CE1-CG 4.07Å; Y343-E345 PolarHBondContact O-N 2.78Å; Y343-E360 PolarHBondContact OH-OE1 3.36Å; Y343-K364 HydrophobicContact CD1-CB 4.18Å; Y343-K364 HydrophobicContact CD1-CD 4.25Å; Y343-K364 HydrophobicContact CD1-CG 3.87Å; Y343-K364 HydrophobicContact CE1-CB 3.73Å; Y343-K364 HydrophobicContact CE1-CD 4.32Å; Y343-K364 HydrophobicContact CE1-CG 3.93Å; Y343-K364 HydrophobicContact CE2-CB 4.21Å; Y343-K364 HydrophobicContact CG-CG 4.25Å; Y343-K364 PolarHBondContact OH-N 3.15Å; Y343-F367 HydrophobicContact CD2-CB 3.64Å; Y343-F367 AromaticContact CD2-CD1 3.91Å; Y343-F367 HydrophobicContact CD2-CD1 3.91Å; Y343-F367 AromaticContact CD2-CD2 3.77Å; Y343-F367 HydrophobicContact CD2-CD2 3.77Å; Y343-F367 HydrophobicContact CD2-CE2 4.36Å; Y343-F367 AromaticContact CD2-CG 3.51Å; Y343-F367 HydrophobicContact CD2-CG 3.51Å; Y343-F367 HydrophobicContact CE2-CB 4.03Å; Y343-F367 HydrophobicContact CE2-CG 4.33Å; Y343-F367 HydrophobicContact CG-CD1 4.32Å; Y343-F367 HydrophobicContact CG-CG 4.35Å; Y343-Y368 HydrophobicContact CG-CE2 4.34Å
344	K	85.6	Confident	79.5	Confident	148 Å²	148	88.5 Å²	88.5	64%	0.643	46%	0.457	S	S	*	.			trans	-90.8	97.1	176.2	-66	-173.9	-179.9	-166.9	0	110	E339	E339-K344 WeakPolarHBondContact OE2-CE 3.28Å; E339-K344 IonicContact OE2-NZ 3.74Å; E339-K344 PolarHBondContact OE2-NZ 2.78Å
345	E	81.9	Confident	80.4	Confident	84 Å²	84	91.2 Å²	91.2	39%	0.393	45%	0.452	S	S	.	.			trans	-67.4	137.9	175.5	-64.4	-176.5	162.8	0	0	110.8	Y343 P347 K364 S436	Y343-E345 HydrophobicContact CD1-CG 3.72Å; Y343-E345 HydrophobicContact CE1-CG 4.07Å; Y343-E345 PolarHBondContact O-N 2.78Å; E345-P347 VanDerWaalsContact O-CD 3.26Å; E345-P347 WeakPolarHBondContact O-CD 3.48Å; E345-K364 IonicContact OE1-NZ 2.92Å; E345-K364 PolarHBondContact OE1-NZ 3.33Å; E345-S436 PolarHBondContact OE2-OG 2.53Å
346	N	81.6	Confident	81.1	Confident	61 Å²	61	89.7 Å²	89.7	33%	0.326	44%	0.443	S	S	.	.			trans	-85.4	106.4	169.9	-176.7	-6.6	0	0	0	109.6	D348 I349	N346-D348 PolarHBondContact O-N 2.99Å; N346-D348 PolarHBondContact OD1-N 3.38Å; N346-I349 HydrophobicContact CB-CB 4.42Å; N346-I349 WeakPolarHBondContact O-CB 3.29Å; N346-I349 WeakPolarHBondContact O-CG2 3.48Å; N346-I349 PolarHBondContact O-N 3.39Å
347	P	78.8	Confident	82.3	Confident	106 Å²	106	85.5 Å²	85.5	69%	0.688	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-64	-25	-175.4	25.6	-33.4	0	0	0	113.1	E345 I349	E345-P347 VanDerWaalsContact O-CD 3.26Å; E345-P347 WeakPolarHBondContact O-CD 3.48Å; P347-I349 VanDerWaalsContact C-N 3.26Å; P347-I349 PolarHBondContact O-N 2.85Å
348	D	79.7	Confident	83.4	Confident	103 Å²	103	78.8 Å²	78.8	55%	0.551	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-81.7	-3.4	-178.5	-63.3	-41.5	0	0	0	113.3	N346 V350 N351	N346-D348 PolarHBondContact O-N 2.99Å; N346-D348 PolarHBondContact OD1-N 3.38Å; D348-V350 VanDerWaalsContact C-N 3.25Å; D348-V350 PolarHBondContact O-N 2.92Å; D348-N351 PolarHBondContact O-N 3.18Å
349	I	81.3	Confident	84.3	Confident	29 Å²	29	83 Å²	83	15%	0.149	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-64	-29.6	-175.1	-162.7	66.3	0	0	0	113.2	N346 P347 N351 Q352 A356 Q357 E360	N346-I349 HydrophobicContact CB-CB 4.42Å; N346-I349 WeakPolarHBondContact O-CB 3.29Å; N346-I349 WeakPolarHBondContact O-CG2 3.48Å; N346-I349 PolarHBondContact O-N 3.39Å; P347-I349 VanDerWaalsContact C-N 3.26Å; P347-I349 PolarHBondContact O-N 2.85Å; I349-N351 PolarHBondContact O-N 2.94Å; I349-Q352 HydrophobicContact CD1-CB 4.35Å; I349-Q352 HydrophobicContact CD1-CG 4.45Å; I349-Q352 WeakPolarHBondContact O-CB 3.26Å; I349-Q352 PolarHBondContact O-N 2.66Å; I349-A356 HydrophobicContact CD1-CB 4.1Å; I349-Q357 HydrophobicContact CG1-CG 4.26Å; I349-Q357 WeakPolarHBondContact O-CG 2.97Å; I349-E360 HydrophobicContact CB-CG 4.48Å; I349-E360 HydrophobicContact CD1-CB 3.85Å; I349-E360 HydrophobicContact CD1-CG 4.21Å; I349-E360 HydrophobicContact CG1-CB 3.72Å; I349-E360 HydrophobicContact CG1-CG 3.9Å
350	V	80.5	Confident	85.2	Confident	107 Å²	107	81 Å²	81	65%	0.648	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-62.1	-28.7	-179	-175.2	0	0	0	0	111.3	D348 Q357	D348-V350 VanDerWaalsContact C-N 3.25Å; D348-V350 PolarHBondContact O-N 2.92Å; V350-Q357 PolarHBondContact O-NE2 2.94Å
351	N	84.5	Confident	85.4	Confident	140 Å²	140	82.9 Å²	82.9	75%	0.749	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-88.8	-1.4	179.5	-62.1	-39.2	0	0	0	113.3	D348 I349	D348-N351 PolarHBondContact O-N 3.18Å; I349-N351 PolarHBondContact O-N 2.94Å
352	Q	89.2	Confident	85.5	Confident	85 Å²	85	85.9 Å²	85.9	40%	0.397	45%	0.447	S	S	.	.	S	Bend	trans	-93.5	173.5	-178.7	-60.6	-175.1	23.2	0	0	112.4	I349 A356 Q357	I349-Q352 HydrophobicContact CD1-CB 4.35Å; I349-Q352 HydrophobicContact CD1-CG 4.45Å; I349-Q352 WeakPolarHBondContact O-CB 3.26Å; I349-Q352 PolarHBondContact O-N 2.66Å; Q352-A356 HydrophobicContact CB-CB 3.81Å; Q352-Q357 PolarHBondContact O-NE2 2.87Å; Q352-Q357 VanDerWaalsContact O-NE2 3.11Å
353	S	90.6	Very high	85.5	Confident	72 Å²	72	87.4 Å²	87.4	50%	0.503	46%	0.456	S	S	.	.			trans	-56.6	153.1	177.5	71	0	0	0	0	112.8	Q355 A356 Q357	S353-Q355 PolarHBondContact O-N 3.32Å; S353-Q355 VanDerWaalsContact O-N 3.16Å; S353-A356 WeakPolarHBondContact O-CB 3.12Å; S353-A356 PolarHBondContact O-N 3.32Å; S353-A356 PolarHBondContact OG-N 2.98Å; S353-Q357 PolarHBondContact O-N 3.25Å
354	Q	87.5	Confident	85.6	Confident	167 Å²	167	87.9 Å²	87.9	78%	0.78	46%	0.459	S	S	*	.	H	α-helix	trans	-54.7	-35	174.5	-68.8	-179.8	-0.1	0	0	112.3	Q357 A358	Q354-Q357 PolarHBondContact O-N 2.85Å; Q354-A358 WeakPolarHBondContact O-CB 3.44Å; Q354-A358 PolarHBondContact O-N 3.23Å
355	Q	86.6	Confident	85.9	Confident	122 Å²	122	80.9 Å²	80.9	57%	0.57	43%	0.428	S	S	*	.	H	α-helix	trans	-66.1	-39.6	176.1	-169.9	-179.3	22.5	0	0	112.2	S353 R359	S353-Q355 PolarHBondContact O-N 3.32Å; S353-Q355 VanDerWaalsContact O-N 3.16Å; Q355-R359 WeakPolarHBondContact O-CG 3.42Å; Q355-R359 PolarHBondContact O-N 3.21Å
356	A	86.4	Confident	86.2	Confident	20 Å²	20	78 Å²	78	17%	0.165	42%	0.416	C	S	.	.	H	α-helix	trans	-66.1	-43.5	175.8	0	0	0	0	0	111.1	I349 Q352 S353 A358 R359 E360	I349-A356 HydrophobicContact CD1-CB 4.1Å; Q352-A356 HydrophobicContact CB-CB 3.81Å; S353-A356 WeakPolarHBondContact O-CB 3.12Å; S353-A356 PolarHBondContact O-N 3.32Å; S353-A356 PolarHBondContact OG-N 2.98Å; A356-A358 PolarHBondContact O-N 3.11Å; A356-R359 PolarHBondContact O-N 2.8Å; A356-E360 WeakPolarHBondContact O-CB 3.35Å; A356-E360 PolarHBondContact O-N 2.72Å
357	Q	87.1	Confident	86.7	Confident	76 Å²	76	76.7 Å²	76.7	36%	0.355	41%	0.407	S	S	.	.	H	α-helix	trans	-60.1	-45.1	175.1	-66	176.2	11.3	0	0	111.9	I349 V350 Q352 S353 Q354 R359 E360 A361	I349-Q357 HydrophobicContact CG1-CG 4.26Å; I349-Q357 WeakPolarHBondContact O-CG 2.97Å; V350-Q357 PolarHBondContact O-NE2 2.94Å; Q352-Q357 PolarHBondContact O-NE2 2.87Å; Q352-Q357 VanDerWaalsContact O-NE2 3.11Å; S353-Q357 PolarHBondContact O-N 3.25Å; Q354-Q357 PolarHBondContact O-N 2.85Å; Q357-R359 PolarHBondContact O-N 3.25Å; Q357-E360 PolarHBondContact O-N 2.73Å; Q357-A361 WeakPolarHBondContact O-CB 3.4Å; Q357-A361 PolarHBondContact O-N 3.07Å
358	A	85.6	Confident	87.4	Confident	62 Å²	62	71.7 Å²	71.7	51%	0.512	38%	0.375	S	S	.	.	H	α-helix	trans	-62.3	-42.3	177.2	0	0	0	0	0	112.3	Q354 A356 A361 L362	Q354-A358 WeakPolarHBondContact O-CB 3.44Å; Q354-A358 PolarHBondContact O-N 3.23Å; A356-A358 PolarHBondContact O-N 3.11Å; A358-A361 PolarHBondContact O-N 3.01Å; A358-L362 WeakPolarHBondContact O-CB 3.39Å; A358-L362 PolarHBondContact O-N 3.44Å
359	R	85.9	Confident	88	Confident	154 Å²	154	67.6 Å²	67.6	58%	0.581	35%	0.352	S	S	*	.	H	α-helix	trans	-63.2	-42.1	175.3	-75.3	175.5	179.4	-179.9	1.3	112.1	Q355 A356 Q357 L362 K363	Q355-R359 WeakPolarHBondContact O-CG 3.42Å; Q355-R359 PolarHBondContact O-N 3.21Å; A356-R359 PolarHBondContact O-N 2.8Å; Q357-R359 PolarHBondContact O-N 3.25Å; R359-L362 PolarHBondContact O-N 2.88Å; R359-K363 WeakPolarHBondContact O-CG 3.46Å; R359-K363 PolarHBondContact O-N 2.83Å
360	E	88.6	Confident	88.4	Confident	29 Å²	29	69 Å²	69	14%	0.136	36%	0.358	C	S	.	.	H	α-helix	trans	-68.3	-40.3	178.8	-168.9	60.8	-158.3	0	0	111.8	Y343 I349 A356 Q357 L362 K363 K364	Y343-E360 PolarHBondContact OH-OE1 3.36Å; I349-E360 HydrophobicContact CB-CG 4.48Å; I349-E360 HydrophobicContact CD1-CB 3.85Å; I349-E360 HydrophobicContact CD1-CG 4.21Å; I349-E360 HydrophobicContact CG1-CB 3.72Å; I349-E360 HydrophobicContact CG1-CG 3.9Å; A356-E360 WeakPolarHBondContact O-CB 3.35Å; A356-E360 PolarHBondContact O-N 2.72Å; Q357-E360 PolarHBondContact O-N 2.73Å; E360-L362 VanDerWaalsContact C-N 3.31Å; E360-L362 PolarHBondContact O-N 3.45Å; E360-K363 PolarHBondContact O-N 3.06Å; E360-K363 IonicContact OE2-NZ 2.65Å; E360-K363 PolarHBondContact OE2-NZ 3.14Å; E360-K364 PolarHBondContact O-N 3.47Å
361	A	88.3	Confident	89	Confident	54 Å²	54	64.8 Å²	64.8	45%	0.446	33%	0.33	S	S	.	.	H	α-helix	trans	-60.4	-40.7	172.8	0	0	0	0	0	111.9	Q357 A358 K364 Y365	Q357-A361 WeakPolarHBondContact O-CB 3.4Å; Q357-A361 PolarHBondContact O-N 3.07Å; A358-A361 PolarHBondContact O-N 3.01Å; A361-K364 PolarHBondContact O-N 2.94Å; A361-Y365 PolarHBondContact O-N 2.71Å
362	L	87.8	Confident	89.4	Confident	68 Å²	68	59.8 Å²	59.8	36%	0.356	30%	0.301	S	S	.	.	H	α-helix	trans	-65	-45.6	175.3	-179.5	60.3	0	0	0	111.9	T286 A358 R359 E360 K364 Y365 L366	T286-L362 HydrophobicContact CG2-CD1 4.06Å; T286-L362 HydrophobicContact CG2-CD2 4.38Å; A358-L362 WeakPolarHBondContact O-CB 3.39Å; A358-L362 PolarHBondContact O-N 3.44Å; R359-L362 PolarHBondContact O-N 2.88Å; E360-L362 VanDerWaalsContact C-N 3.31Å; E360-L362 PolarHBondContact O-N 3.45Å; L362-K364 VanDerWaalsContact C-N 3.32Å; L362-K364 PolarHBondContact O-N 3.5Å; L362-Y365 HydrophobicContact CD1-CD1 4.16Å; L362-Y365 WeakPolarHBondContact O-CB 3.26Å; L362-Y365 PolarHBondContact O-N 3.36Å; L362-L366 HydrophobicContact CD1-CD1 4.3Å; L362-L366 HydrophobicContact CD1-CG 4.18Å; L362-L366 HydrophobicContact CG-CD1 4.11Å; L362-L366 HydrophobicContact CG-CG 4.41Å; L362-L366 WeakPolarHBondContact O-CG 3.3Å; L362-L366 PolarHBondContact O-N 2.89Å
363	K	88.5	Confident	89.5	Confident	119 Å²	119	57.7 Å²	57.7	52%	0.517	29%	0.291	S	S	.	.	H	α-helix	trans	-58	-44.4	175.6	-72.9	174.7	-171.7	172	0	112.1	R359 E360 L366 F367	R359-K363 WeakPolarHBondContact O-CG 3.46Å; R359-K363 PolarHBondContact O-N 2.83Å; E360-K363 PolarHBondContact O-N 3.06Å; E360-K363 IonicContact OE2-NZ 2.65Å; E360-K363 PolarHBondContact OE2-NZ 3.14Å; K363-L366 PolarHBondContact O-N 3.4Å; K363-F367 WeakPolarHBondContact O-CB 3.42Å; K363-F367 PolarHBondContact O-N 3.31Å
364	K	91.6	Very high	89.6	Confident	40 Å²	40	54.8 Å²	54.8	17%	0.174	27%	0.27	C	S	.	.	H	α-helix	trans	-58.8	-49.9	174.9	-176.7	177.2	171.6	172.2	0	110.3	Y343 E345 E360 A361 L362 L366 F367 Y368 Y432	Y343-K364 HydrophobicContact CD1-CB 4.18Å; Y343-K364 HydrophobicContact CD1-CD 4.25Å; Y343-K364 HydrophobicContact CD1-CG 3.87Å; Y343-K364 HydrophobicContact CE1-CB 3.73Å; Y343-K364 HydrophobicContact CE1-CD 4.32Å; Y343-K364 HydrophobicContact CE1-CG 3.93Å; Y343-K364 HydrophobicContact CE2-CB 4.21Å; Y343-K364 HydrophobicContact CG-CG 4.25Å; Y343-K364 PolarHBondContact OH-N 3.15Å; E345-K364 IonicContact OE1-NZ 2.92Å; E345-K364 PolarHBondContact OE1-NZ 3.33Å; E360-K364 PolarHBondContact O-N 3.47Å; A361-K364 PolarHBondContact O-N 2.94Å; L362-K364 VanDerWaalsContact C-N 3.32Å; L362-K364 PolarHBondContact O-N 3.5Å; K364-L366 PolarHBondContact O-N 3.33Å; K364-F367 WeakPolarHBondContact O-CB 3.48Å; K364-F367 PolarHBondContact O-N 3.15Å; K364-Y368 HydrophobicContact CG-CD2 4.13Å; K364-Y368 HydrophobicContact CG-CE2 3.96Å; K364-Y368 VanDerWaalsContact O-CD2 3.29Å; K364-Y368 WeakPolarHBondContact O-CD2 3.43Å; K364-Y368 PolarHBondContact O-N 2.98Å; K364-Y432 HydrophobicContact CD-CE2 4.28Å; K364-Y432 HydrophobicContact CG-CD2 4.14Å; K364-Y432 HydrophobicContact CG-CE2 3.95Å
365	Y	91.1	Very high	89.9	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-55.8	-50.8	177.7	167.1	-114.5	0	0	0	112.2	W276 K279 C280 D283 A361 L362 F367 Y368 F369	W276-Y365 HydrophobicContact CH2-CD2 4.06Å; W276-Y365 HydrophobicContact CH2-CE2 4.02Å; W276-Y365 HydrophobicContact CZ3-CD2 4.04Å; W276-Y365 HydrophobicContact CZ3-CE2 4.19Å; K279-Y365 HydrophobicContact CD-CD2 3.85Å; K279-Y365 HydrophobicContact CD-CE2 4.1Å; K279-Y365 HydrophobicContact CD-CG 4.48Å; K279-Y365 VanDerWaalsContact CE-CG 3.5Å; K279-Y365 HydrophobicContact CG-CD2 4.2Å; K279-Y365 HydrophobicContact CG-CE2 3.96Å; C280-Y365 WeakPolarHBondContact CA-OH 3.49Å; D283-Y365 HydrophobicContact CB-CD1 4.43Å; D283-Y365 HydrophobicContact CB-CE1 3.62Å; A361-Y365 PolarHBondContact O-N 2.71Å; L362-Y365 HydrophobicContact CD1-CD1 4.16Å; L362-Y365 WeakPolarHBondContact O-CB 3.26Å; L362-Y365 PolarHBondContact O-N 3.36Å; Y365-F367 VanDerWaalsContact C-N 3.31Å; Y365-F367 PolarHBondContact O-N 3.48Å; Y365-Y368 PolarHBondContact O-N 3.34Å; Y365-F369 HydrophobicContact CD2-CB 4.42Å; Y365-F369 HydrophobicContact CE1-CB 4.49Å; Y365-F369 HydrophobicContact CE2-CB 4.01Å; Y365-F369 HydrophobicContact CE2-CD2 4.28Å; Y365-F369 HydrophobicContact CE2-CG 4.44Å; Y365-F369 AromaticContact CZ-CD2 4Å; Y365-F369 WeakPolarHBondContact O-CB 3.47Å; Y365-F369 PolarHBondContact O-N 3.24Å; Y365-F369 WeakPolarHBondContact OH-CD2 3.2Å
366	L	89.5	Confident	90.2	Very high	25 Å²	25	43.5 Å²	43.5	13%	0.131	22%	0.219	C	C	.	.	H	α-helix	trans	-59	-41.4	-179.5	-70.1	176.9	0	0	0	112.5	T286 I290 L362 K363 K364 Y368 F369 E370	T286-L366 HydrophobicContact CG2-CD1 4.43Å; T286-L366 HydrophobicContact CG2-CD2 4.24Å; I290-L366 HydrophobicContact CD1-CD1 3.52Å; I290-L366 HydrophobicContact CD1-CD2 3.41Å; I290-L366 VanDerWaalsContact CD1-CD2 3.41Å; I290-L366 HydrophobicContact CD1-CG 3.98Å; L362-L366 HydrophobicContact CD1-CD1 4.3Å; L362-L366 HydrophobicContact CD1-CG 4.18Å; L362-L366 HydrophobicContact CG-CD1 4.11Å; L362-L366 HydrophobicContact CG-CG 4.41Å; L362-L366 WeakPolarHBondContact O-CG 3.3Å; L362-L366 PolarHBondContact O-N 2.89Å; K363-L366 PolarHBondContact O-N 3.4Å; K364-L366 PolarHBondContact O-N 3.33Å; L366-Y368 PolarHBondContact O-N 3.49Å; L366-F369 PolarHBondContact O-N 2.55Å; L366-E370 WeakPolarHBondContact O-CB 3.47Å; L366-E370 VanDerWaalsContact O-CG 3.28Å; L366-E370 WeakPolarHBondContact O-CG 3.29Å; L366-E370 PolarHBondContact O-N 3.27Å
367	F	91.3	Very high	90.4	Very high	33 Å²	33	44.9 Å²	44.9	15%	0.145	22%	0.221	C	C	.	.	H	α-helix	trans	-55.6	-47.2	176.5	175.4	-84.8	0	0	0	113	S341 R342 Y343 K363 K364 Y365 R371	S341-F367 WeakPolarHBondContact O-CE1 3.32Å; R342-F367 WeakPolarHBondContact O-CZ 3.33Å; Y343-F367 HydrophobicContact CD2-CB 3.64Å; Y343-F367 AromaticContact CD2-CD1 3.91Å; Y343-F367 HydrophobicContact CD2-CD1 3.91Å; Y343-F367 AromaticContact CD2-CD2 3.77Å; Y343-F367 HydrophobicContact CD2-CD2 3.77Å; Y343-F367 HydrophobicContact CD2-CE2 4.36Å; Y343-F367 AromaticContact CD2-CG 3.51Å; Y343-F367 HydrophobicContact CD2-CG 3.51Å; Y343-F367 HydrophobicContact CE2-CB 4.03Å; Y343-F367 HydrophobicContact CE2-CG 4.33Å; Y343-F367 HydrophobicContact CG-CD1 4.32Å; Y343-F367 HydrophobicContact CG-CG 4.35Å; K363-F367 WeakPolarHBondContact O-CB 3.42Å; K363-F367 PolarHBondContact O-N 3.31Å; K364-F367 WeakPolarHBondContact O-CB 3.48Å; K364-F367 PolarHBondContact O-N 3.15Å; Y365-F367 VanDerWaalsContact C-N 3.31Å; Y365-F367 PolarHBondContact O-N 3.48Å; F367-R371 VanDerWaalsContact CE2-NH1 3.32Å; F367-R371 VanDerWaalsContact CZ-NE 3.34Å; F367-R371 PolarHBondContact O-NH1 3.4Å
368	Y	93.7	Very high	90.8	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-77.1	-35.3	180	-74.3	-85.3	0	0	0	111.6	Y343 K364 Y365 L366 R371 W372 Y428 A431 Y432	Y343-Y368 HydrophobicContact CG-CE2 4.34Å; K364-Y368 HydrophobicContact CG-CD2 4.13Å; K364-Y368 HydrophobicContact CG-CE2 3.96Å; K364-Y368 VanDerWaalsContact O-CD2 3.29Å; K364-Y368 WeakPolarHBondContact O-CD2 3.43Å; K364-Y368 PolarHBondContact O-N 2.98Å; Y365-Y368 PolarHBondContact O-N 3.34Å; L366-Y368 PolarHBondContact O-N 3.49Å; Y368-R371 PolarHBondContact O-N 2.84Å; Y368-W372 WeakPolarHBondContact O-CB 3.36Å; Y368-W372 PolarHBondContact O-N 3.43Å; Y368-Y428 AromaticContact CD1-CD1 3.93Å; Y368-Y428 HydrophobicContact CD1-CD1 3.93Å; Y368-Y428 VanDerWaalsContact CD1-O 3.29Å; Y368-Y428 WeakPolarHBondContact CD1-O 3.43Å; Y368-Y428 HydrophobicContact CE1-CD1 4.42Å; Y368-A431 HydrophobicContact CD1-CB 4.44Å; Y368-A431 HydrophobicContact CE1-CB 3.63Å; Y368-Y432 AromaticContact CD2-CD2 3.56Å; Y368-Y432 HydrophobicContact CD2-CD2 3.56Å; Y368-Y432 HydrophobicContact CD2-CG 4.3Å; Y368-Y432 HydrophobicContact CE2-CD2 4.15Å; Y368-Y432 HydrophobicContact CG-CD2 4.01Å; Y368-Y432 HydrophobicContact CG-CG 4.41Å
369	F	92	Very high	91.1	Very high	17 Å²	17	40 Å²	40	8%	0.075	19%	0.189	C	C	.	.	H	α-helix	trans	-62.9	-50.2	178.1	177.9	-94.7	0	0	0	112	W276 C280 A287 Y365 L366 R371 W372 E373	W276-F369 HydrophobicContact CH2-CB 4.2Å; W276-F369 HydrophobicContact CZ2-CB 4.23Å; W276-F369 HydrophobicContact CZ2-CD2 4.34Å; C280-F369 HydrophobicContact CB-CE2 4.38Å; A287-F369 HydrophobicContact CB-CD1 4.03Å; A287-F369 HydrophobicContact CB-CE1 3.38Å; A287-F369 HydrophobicContact CB-CE2 4.18Å; A287-F369 HydrophobicContact CB-CZ 3.47Å; A287-F369 VanDerWaalsContact CB-CZ 3.47Å; Y365-F369 HydrophobicContact CD2-CB 4.42Å; Y365-F369 HydrophobicContact CE1-CB 4.49Å; Y365-F369 HydrophobicContact CE2-CB 4.01Å; Y365-F369 HydrophobicContact CE2-CD2 4.28Å; Y365-F369 HydrophobicContact CE2-CG 4.44Å; Y365-F369 AromaticContact CZ-CD2 4Å; Y365-F369 WeakPolarHBondContact O-CB 3.47Å; Y365-F369 PolarHBondContact O-N 3.24Å; Y365-F369 WeakPolarHBondContact OH-CD2 3.2Å; L366-F369 PolarHBondContact O-N 2.55Å; F369-R371 PolarHBondContact O-N 2.48Å; F369-W372 HydrophobicContact CD2-CE3 4.18Å; F369-W372 HydrophobicContact CD2-CZ3 4.48Å; F369-W372 HydrophobicContact CE2-CE3 4.07Å; F369-W372 AromaticContact CE2-CZ3 3.96Å; F369-W372 HydrophobicContact CE2-CZ3 3.96Å; F369-W372 PolarHBondContact O-N 2.96Å; F369-E373 HydrophobicContact CE1-CB 4.22Å; F369-E373 HydrophobicContact CE1-CG 4.44Å; F369-E373 HydrophobicContact CZ-CB 4.28Å; F369-E373 HydrophobicContact CZ-CG 4.32Å; F369-E373 WeakPolarHBondContact O-CB 3.16Å; F369-E373 PolarHBondContact O-N 3.38Å
370	E	90.1	Very high	91.5	Very high	59 Å²	59	38 Å²	38	28%	0.276	19%	0.186	S	C	.	.	H	α-helix	trans	-56.6	-39.1	178.2	-74	171.6	-160.1	0	0	111.9	I290 M325 L366 N374	I290-E370 HydrophobicContact CG2-CG 3.9Å; I290-E370 VanDerWaalsContact CG2-OE1 3.29Å; I290-E370 WeakPolarHBondContact CG2-OE1 3.33Å; M325-E370 HydrophobicContact CE-CB 4.17Å; L366-E370 WeakPolarHBondContact O-CB 3.47Å; L366-E370 VanDerWaalsContact O-CG 3.28Å; L366-E370 WeakPolarHBondContact O-CG 3.29Å; L366-E370 PolarHBondContact O-N 3.27Å; E370-N374 WeakPolarHBondContact O-CB 3.1Å; E370-N374 PolarHBondContact O-N 2.89Å
371	R	92.9	Very high	91.7	Very high	17 Å²	17	38.4 Å²	38.4	6%	0.064	19%	0.189	C	C	.	.	H	α-helix	trans	-71	-46.3	178.5	-74.2	168.6	-178.7	61.4	6.6	112	M325 C340 F367 Y368 F369 N374 H375 Y428	M325-R371 HydrophobicContact CE-CB 4.34Å; M325-R371 HydrophobicContact CE-CG 3.64Å; C340-R371 VanDerWaalsContact O-CZ 3.3Å; C340-R371 PolarHBondContact O-NE 3.42Å; C340-R371 PolarHBondContact O-NH2 3.27Å; F367-R371 VanDerWaalsContact CE2-NH1 3.32Å; F367-R371 VanDerWaalsContact CZ-NE 3.34Å; F367-R371 PolarHBondContact O-NH1 3.4Å; Y368-R371 PolarHBondContact O-N 2.84Å; F369-R371 PolarHBondContact O-N 2.48Å; R371-N374 PolarHBondContact O-N 3.32Å; R371-H375 PolarHBondContact O-CD2 3.48Å; R371-H375 PolarHBondContact O-N 3.48Å; R371-Y428 HydrophobicContact CB-CD1 3.77Å; R371-Y428 HydrophobicContact CB-CD2 4.02Å; R371-Y428 HydrophobicContact CB-CE1 3.68Å; R371-Y428 HydrophobicContact CB-CE2 3.91Å; R371-Y428 HydrophobicContact CB-CG 3.92Å; R371-Y428 HydrophobicContact CG-CD1 4.44Å; R371-Y428 HydrophobicContact CG-CE1 3.98Å
372	W	93.8	Very high	92	Very high	35 Å²	35	36.2 Å²	36.2	13%	0.133	17%	0.169	C	C	.	.	H	α-helix	trans	-59.2	-47.1	175.5	174.7	80.8	0	0	0	111.6	W276 L277 Y368 F369 H375 N376 Q425 P429	W276-W372 HydrophobicContact CZ2-CB 4.14Å; W276-W372 HydrophobicContact CZ2-CG 4.33Å; W276-W372 AromaticContact NE1-CD2 3.51Å; W276-W372 AromaticContact NE1-CE2 3.71Å; W276-W372 AromaticContact NE1-CE3 3.86Å; W276-W372 AromaticContact NE1-CG 3.77Å; L277-W372 HydrophobicContact CD2-CH2 4.4Å; L277-W372 HydrophobicContact CD2-CZ2 4.22Å; Y368-W372 WeakPolarHBondContact O-CB 3.36Å; Y368-W372 PolarHBondContact O-N 3.43Å; F369-W372 HydrophobicContact CD2-CE3 4.18Å; F369-W372 HydrophobicContact CD2-CZ3 4.48Å; F369-W372 HydrophobicContact CE2-CE3 4.07Å; F369-W372 AromaticContact CE2-CZ3 3.96Å; F369-W372 HydrophobicContact CE2-CZ3 3.96Å; F369-W372 PolarHBondContact O-N 2.96Å; W372-H375 PolarHBondContact O-N 3.06Å; W372-N376 PolarHBondContact O-N 3.47Å; W372-Q425 HydrophobicContact CG-CG 4.21Å; W372-P429 HydrophobicContact CG-CG 4.27Å
373	E	91.3	Very high	92.3	Very high	42 Å²	42	35.5 Å²	35.5	20%	0.196	17%	0.174	C	C	.	.	H	α-helix	trans	-67.5	-41.4	179.3	-165.6	-145.7	-162.3	0	0	111.8	F369 H375 N376 K377	F369-E373 HydrophobicContact CE1-CB 4.22Å; F369-E373 HydrophobicContact CE1-CG 4.44Å; F369-E373 HydrophobicContact CZ-CB 4.28Å; F369-E373 HydrophobicContact CZ-CG 4.32Å; F369-E373 WeakPolarHBondContact O-CB 3.16Å; F369-E373 PolarHBondContact O-N 3.38Å; E373-H375 PolarHBondContact O-N 3.37Å; E373-N376 WeakPolarHBondContact O-CB 3.43Å; E373-N376 PolarHBondContact O-N 2.91Å; E373-K377 VanDerWaalsContact CD-CE 3.47Å; E373-K377 WeakPolarHBondContact O-CG 3.17Å; E373-K377 PolarHBondContact O-N 3.09Å; E373-K377 WeakPolarHBondContact OE1-CE 3.47Å; E373-K377 IonicContact OE1-NZ 3.38Å; E373-K377 PolarHBondContact OE1-NZ 3.33Å; E373-K377 IonicContact OE2-NZ 2.83Å; E373-K377 PolarHBondContact OE2-NZ 3.31Å
374	N	91.5	Very high	92.5	Very high	10 Å²	10	35 Å²	35	5%	0.053	17%	0.173	C	C	.	.	H	α-helix	trans	-61.5	-43	176.3	175.8	76.3	0	0	0	111.9	K306 N311 M325 E370 R371 N376 K377 S378	K306-N374 PolarHBondContact NZ-OD1 3.37Å; N311-N374 PolarHBondContact ND2-ND2 2.88Å; N311-N374 VanDerWaalsContact ND2-ND2 3.18Å; N311-N374 PolarHBondContact OD1-ND2 2.96Å; N311-N374 PolarHBondContact OD1-OD1 2.99Å; M325-N374 HydrophobicContact CE-CB 3.96Å; M325-N374 HydrophobicContact SD-CB 3.43Å; M325-N374 WeakPolarHBondContact SD-CB 3.23Å; M325-N374 PolarHBondContact SD-ND2 3.05Å; E370-N374 WeakPolarHBondContact O-CB 3.1Å; E370-N374 PolarHBondContact O-N 2.89Å; R371-N374 PolarHBondContact O-N 3.32Å; N374-N376 VanDerWaalsContact C-N 3.32Å; N374-K377 PolarHBondContact O-N 3.29Å; N374-S378 WeakPolarHBondContact O-CB 3.4Å; N374-S378 PolarHBondContact O-N 2.99Å; N374-S378 PolarHBondContact O-OG 3.03Å
375	H	94.1	Very high	92.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67.1	-34.6	176.5	-75.4	-54.5	0	0	0	112.2	R371 W372 E373 S378 L379 R421 L424 Q425 Y428 E451 E455	R371-H375 PolarHBondContact O-CD2 3.48Å; R371-H375 PolarHBondContact O-N 3.48Å; W372-H375 PolarHBondContact O-N 3.06Å; E373-H375 PolarHBondContact O-N 3.37Å; H375-S378 PolarHBondContact O-N 2.99Å; H375-L379 WeakPolarHBondContact O-CB 3.34Å; H375-L379 PolarHBondContact O-N 3.05Å; H375-R421 HydrophobicContact CB-CG 4.38Å; H375-R421 PolarHBondContact ND1-NH1 3.47Å; H375-R421 VanDerWaalsContact ND1-NH1 3.12Å; H375-R421 WeakPolarHBondContact O-CD 3.5Å; H375-L424 WeakPolarHBondContact CE1-CD2 3.46Å; H375-L424 WeakPolarHBondContact NE2-CD2 3.27Å; H375-Q425 HydrophobicContact CB-CB 4.02Å; H375-Q425 HydrophobicContact CB-CG 4.48Å; H375-Y428 AromaticContact CD2-CD2 3.94Å; H375-Y428 AromaticContact CD2-CE2 3.37Å; H375-Y428 WeakPolarHBondContact CD2-CE2 3.38Å; H375-Y428 AromaticContact NE2-CE2 3.56Å; H375-E451 IonicContact CE1-OE1 3.94Å; H375-E451 PolarHBondContact CE1-OE1 3.42Å; H375-E451 IonicContact NE2-OE1 3.86Å; H375-E451 PolarHBondContact NE2-OE1 2.84Å; H375-E455 IonicContact CE1-OE1 2.84Å
376	N	92.8	Very high	92.6	Very high	53 Å²	53	36.6 Å²	36.6	28%	0.283	18%	0.179	S	C	.	.	H	α-helix	trans	-60.8	-46.5	170.5	-169.9	68.4	0	0	0	112.1	W372 E373 N374 L379 Q380 Q425	W372-N376 PolarHBondContact O-N 3.47Å; E373-N376 WeakPolarHBondContact O-CB 3.43Å; E373-N376 PolarHBondContact O-N 2.91Å; N374-N376 VanDerWaalsContact C-N 3.32Å; N376-L379 WeakPolarHBondContact O-CB 3.21Å; N376-L379 PolarHBondContact O-N 2.92Å; N376-Q380 WeakPolarHBondContact O-CG 3.06Å; N376-Q380 PolarHBondContact O-N 3.33Å; N376-Q425 PolarHBondContact OD1-NE2 2.87Å
377	K	91.6	Very high	92.8	Very high	49 Å²	49	41.1 Å²	41.1	21%	0.213	20%	0.2	C	C	.	.	H	α-helix	trans	-64	-43.5	176.2	-73	172.1	178.9	163.9	0	111.7	E373 N374 L379 Q380 L381	E373-K377 VanDerWaalsContact CD-CE 3.47Å; E373-K377 WeakPolarHBondContact O-CG 3.17Å; E373-K377 PolarHBondContact O-N 3.09Å; E373-K377 WeakPolarHBondContact OE1-CE 3.47Å; E373-K377 IonicContact OE1-NZ 3.38Å; E373-K377 PolarHBondContact OE1-NZ 3.33Å; E373-K377 IonicContact OE2-NZ 2.83Å; E373-K377 PolarHBondContact OE2-NZ 3.31Å; N374-K377 PolarHBondContact O-N 3.29Å; K377-L379 VanDerWaalsContact C-N 3.28Å; K377-L379 PolarHBondContact O-N 2.75Å; K377-Q380 WeakPolarHBondContact O-CB 3.49Å; K377-Q380 PolarHBondContact O-N 2.75Å; K377-Q380 VanDerWaalsContact O-N 3.16Å; K377-L381 PolarHBondContact O-N 2.98Å; K377-L381 VanDerWaalsContact O-N 3.11Å
378	S	94.1	Very high	92.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.9	-38.5	175.6	-77.7	0	0	0	0	112.1	K306 G309 N374 H375 Q380 L381 E382 R421	K306-S378 PolarHBondContact NZ-OG 2.75Å; G309-S378 WeakPolarHBondContact O-CB 3.5Å; G309-S378 PolarHBondContact O-OG 3.38Å; N374-S378 WeakPolarHBondContact O-CB 3.4Å; N374-S378 PolarHBondContact O-N 2.99Å; N374-S378 PolarHBondContact O-OG 3.03Å; H375-S378 PolarHBondContact O-N 2.99Å; S378-Q380 VanDerWaalsContact C-N 3.33Å; S378-Q380 PolarHBondContact O-N 3.3Å; S378-L381 PolarHBondContact O-N 3.4Å; S378-E382 WeakPolarHBondContact O-CG 3.33Å; S378-E382 PolarHBondContact O-N 3.29Å; S378-R421 VanDerWaalsContact CB-CD 3.47Å
379	L	93.6	Very high	92.9	Very high	35 Å²	35	46.3 Å²	46.3	18%	0.183	22%	0.219	C	C	.	.	H	α-helix	trans	-63.6	-37.5	175.9	-172	68.2	0	0	0	112.1	H375 N376 K377 E382 A383 A418 R421 Y422	H375-L379 WeakPolarHBondContact O-CB 3.34Å; H375-L379 PolarHBondContact O-N 3.05Å; N376-L379 WeakPolarHBondContact O-CB 3.21Å; N376-L379 PolarHBondContact O-N 2.92Å; K377-L379 VanDerWaalsContact C-N 3.28Å; K377-L379 PolarHBondContact O-N 2.75Å; L379-E382 PolarHBondContact O-N 2.92Å; L379-A383 PolarHBondContact O-N 2.92Å; L379-A418 HydrophobicContact CD1-CB 3.83Å; L379-A418 WeakPolarHBondContact CD1-O 3.46Å; L379-R421 HydrophobicContact CD1-CB 4.36Å; L379-Y422 HydrophobicContact CD2-CD2 3.82Å
380	Q	93.2	Very high	92.9	Very high	113 Å²	113	48.2 Å²	48.2	53%	0.528	23%	0.228	S	C	.	.	H	α-helix	trans	-64.8	-41.4	174.3	-65.6	172.4	-3.9	0	0	111.9	N376 K377 S378 E382 A383 Q384	N376-Q380 WeakPolarHBondContact O-CG 3.06Å; N376-Q380 PolarHBondContact O-N 3.33Å; K377-Q380 WeakPolarHBondContact O-CB 3.49Å; K377-Q380 PolarHBondContact O-N 2.75Å; K377-Q380 VanDerWaalsContact O-N 3.16Å; S378-Q380 VanDerWaalsContact C-N 3.33Å; S378-Q380 PolarHBondContact O-N 3.3Å; Q380-E382 VanDerWaalsContact C-N 3.33Å; Q380-A383 WeakPolarHBondContact O-CB 3.48Å; Q380-A383 PolarHBondContact O-N 2.99Å; Q380-Q384 PolarHBondContact O-N 3.01Å
381	L	93.3	Very high	93.1	Very high	36 Å²	36	51 Å²	51	19%	0.188	24%	0.241	C	C	.	.	H	α-helix	trans	-69.2	-31.3	176	-65.4	171.3	0	0	0	112.2	K306 G308 K377 S378 Q384 T385	K306-L381 HydrophobicContact CD-CD1 4.37Å; K306-L381 HydrophobicContact CG-CD1 4.41Å; G308-L381 WeakPolarHBondContact O-CD1 3.33Å; K377-L381 PolarHBondContact O-N 2.98Å; K377-L381 VanDerWaalsContact O-N 3.11Å; S378-L381 PolarHBondContact O-N 3.4Å; L381-Q384 PolarHBondContact O-N 2.88Å; L381-T385 PolarHBondContact O-N 3.11Å; L381-T385 PolarHBondContact O-OG1 3.25Å
382	E	94.8	Very high	93.1	Very high	8 Å²	8	55 Å²	55	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-69.7	-33.7	173.4	-76.7	172.2	171.3	0	0	112.4	S378 L379 Q380 Q384 T385 Y386 L417 R421 S458	S378-E382 WeakPolarHBondContact O-CG 3.33Å; S378-E382 PolarHBondContact O-N 3.29Å; L379-E382 PolarHBondContact O-N 2.92Å; Q380-E382 VanDerWaalsContact C-N 3.33Å; E382-Q384 VanDerWaalsContact C-N 3.33Å; E382-Q384 PolarHBondContact O-N 3.25Å; E382-T385 CarbonylContact O-C 3.59Å; E382-T385 WeakPolarHBondContact O-CB 3.46Å; E382-T385 PolarHBondContact O-N 2.76Å; E382-T385 VanDerWaalsContact O-N 3.15Å; E382-Y386 PolarHBondContact O-N 2.95Å; E382-L417 HydrophobicContact CG-CD2 3.99Å; E382-L417 HydrophobicContact CG-CG 4.39Å; E382-L417 WeakPolarHBondContact OE1-CD1 3.37Å; E382-L417 VanDerWaalsContact OE1-CD2 3.3Å; E382-L417 WeakPolarHBondContact OE1-CD2 3.35Å; E382-L417 VanDerWaalsContact OE1-CG 3.28Å; E382-L417 WeakPolarHBondContact OE1-CG 3.42Å; E382-R421 IonicContact OE1-CZ 2.8Å; E382-R421 IonicContact OE1-NE 3.62Å; E382-R421 PolarHBondContact OE1-NE 2.9Å; E382-R421 IonicContact OE1-NH2 2.72Å; E382-R421 PolarHBondContact OE1-NH2 2.62Å; E382-R421 WeakPolarHBondContact OE2-CD 3.42Å; E382-R421 IonicContact OE2-NE 2.83Å; E382-R421 PolarHBondContact OE2-NE 3.35Å; E382-S458 PolarHBondContact OE1-OG 3.49Å
383	A	93.2	Very high	93	Very high	54 Å²	54	53.5 Å²	53.5	45%	0.446	25%	0.254	S	S	.	.	H	α-helix	trans	-62.2	-40.9	171.6	0	0	0	0	0	111.9	L379 Q380 T385 Y386 Q387	L379-A383 PolarHBondContact O-N 2.92Å; Q380-A383 WeakPolarHBondContact O-CB 3.48Å; Q380-A383 PolarHBondContact O-N 2.99Å; A383-T385 VanDerWaalsContact C-N 3.33Å; A383-Y386 WeakPolarHBondContact O-CB 3.27Å; A383-Y386 PolarHBondContact O-N 3.39Å; A383-Q387 PolarHBondContact O-N 3.43Å; A383-Q387 VanDerWaalsContact O-N 3.15Å
384	Q	93.3	Very high	93.1	Very high	108 Å²	108	55.5 Å²	55.5	51%	0.505	26%	0.263	S	S	.	.	H	α-helix	trans	-65.4	-37.9	172.5	-62.2	174	11.6	0	0	111.5	Q380 L381 E382 Q387 R388	Q380-Q384 PolarHBondContact O-N 3.01Å; L381-Q384 PolarHBondContact O-N 2.88Å; E382-Q384 VanDerWaalsContact C-N 3.33Å; E382-Q384 PolarHBondContact O-N 3.25Å; Q384-Q387 PolarHBondContact O-N 2.87Å; Q384-R388 WeakPolarHBondContact O-CG 3.13Å; Q384-R388 PolarHBondContact O-N 2.82Å
385	T	91.7	Very high	93.2	Very high	8 Å²	8	60.8 Å²	60.8	5%	0.049	29%	0.287	C	S	.	.	H	α-helix	trans	-65.7	-38.8	176.3	-58.7	0	0	0	0	111.8	L381 E382 A383 Q387 R388 I389 V461	L381-T385 PolarHBondContact O-N 3.11Å; L381-T385 PolarHBondContact O-OG1 3.25Å; E382-T385 CarbonylContact O-C 3.59Å; E382-T385 WeakPolarHBondContact O-CB 3.46Å; E382-T385 PolarHBondContact O-N 2.76Å; E382-T385 VanDerWaalsContact O-N 3.15Å; A383-T385 VanDerWaalsContact C-N 3.33Å; T385-Q387 PolarHBondContact O-N 3.18Å; T385-R388 PolarHBondContact O-N 3.29Å; T385-R388 PolarHBondContact OG1-NH2 3.3Å; T385-I389 HydrophobicContact CG2-CD1 4.01Å; T385-I389 VanDerWaalsContact O-CG1 3.3Å; T385-I389 WeakPolarHBondContact O-CG1 3.47Å; T385-I389 PolarHBondContact O-N 3.4Å; T385-V461 HydrophobicContact CG2-CG1 4.32Å
386	Y	93.6	Very high	93.1	Very high	65 Å²	65	64.6 Å²	64.6	26%	0.255	30%	0.302	S	S	.	.	H	α-helix	trans	-58.8	-45.7	172.7	179	-89.1	0	0	0	111.7	E382 A383 I389 H390 Q411 A414 K415	E382-Y386 PolarHBondContact O-N 2.95Å; A383-Y386 WeakPolarHBondContact O-CB 3.27Å; A383-Y386 PolarHBondContact O-N 3.39Å; Y386-I389 PolarHBondContact O-N 3.44Å; Y386-H390 WeakPolarHBondContact O-CB 3.4Å; Y386-H390 PolarHBondContact O-N 2.78Å; Y386-Q411 HydrophobicContact CE2-CB 4.05Å; Y386-Q411 HydrophobicContact CE2-CG 4.15Å; Y386-Q411 PolarHBondContact OH-OE1 3.02Å; Y386-A414 HydrophobicContact CD2-CB 3.77Å; Y386-K415 HydrophobicContact CD2-CG 4.26Å; Y386-K415 HydrophobicContact CE2-CD 4.25Å; Y386-K415 HydrophobicContact CE2-CG 3.68Å; Y386-K415 WeakPolarHBondContact OH-CE 3.48Å
387	Q	94	Very high	93.1	Very high	121 Å²	121	64.2 Å²	64.2	57%	0.565	30%	0.301	S	S	*	.	H	α-helix	trans	-61.4	-47.5	176.4	-71	174.2	-17.5	0	0	111.8	A383 Q384 T385 I389 H390 E391	A383-Q387 PolarHBondContact O-N 3.43Å; A383-Q387 VanDerWaalsContact O-N 3.15Å; Q384-Q387 PolarHBondContact O-N 2.87Å; T385-Q387 PolarHBondContact O-N 3.18Å; Q387-I389 VanDerWaalsContact C-N 3.3Å; Q387-I389 PolarHBondContact O-N 3.28Å; Q387-H390 WeakPolarHBondContact O-CB 3.2Å; Q387-H390 PolarHBondContact O-N 2.91Å; Q387-H390 VanDerWaalsContact O-N 3.08Å; Q387-E391 WeakPolarHBondContact O-CG 3.36Å; Q387-E391 PolarHBondContact O-N 3.46Å
388	R	92.6	Very high	93.2	Very high	129 Å²	129	69.2 Å²	69.2	49%	0.487	33%	0.327	S	S	.	.	H	α-helix	trans	-59.4	-39.4	176	-70.5	-174.8	-62.8	162.3	0.5	112.8	Q384 T385 K392	Q384-R388 WeakPolarHBondContact O-CG 3.13Å; Q384-R388 PolarHBondContact O-N 2.82Å; T385-R388 PolarHBondContact O-N 3.29Å; T385-R388 PolarHBondContact OG1-NH2 3.3Å; R388-K392 WeakPolarHBondContact O-CB 3.4Å; R388-K392 WeakPolarHBondContact O-CG 3.41Å; R388-K392 PolarHBondContact O-N 3.23Å
389	I	92.6	Very high	93.2	Very high	13 Å²	13	73.8 Å²	73.8	7%	0.067	35%	0.352	C	S	.	.	H	α-helix	trans	-64.7	-43.8	175.3	-72.8	167.9	0	0	0	110	T385 Y386 Q387 K392 I393 L410 Q411 A414 V461	T385-I389 HydrophobicContact CG2-CD1 4.01Å; T385-I389 VanDerWaalsContact O-CG1 3.3Å; T385-I389 WeakPolarHBondContact O-CG1 3.47Å; T385-I389 PolarHBondContact O-N 3.4Å; Y386-I389 PolarHBondContact O-N 3.44Å; Q387-I389 VanDerWaalsContact C-N 3.3Å; Q387-I389 PolarHBondContact O-N 3.28Å; I389-K392 PolarHBondContact O-N 2.96Å; I389-I393 HydrophobicContact CG2-CD1 3.69Å; I389-I393 HydrophobicContact CG2-CG1 4.39Å; I389-I393 WeakPolarHBondContact O-CG1 3.38Å; I389-I393 PolarHBondContact O-N 3.2Å; I389-L410 HydrophobicContact CG2-CB 3.76Å; I389-Q411 HydrophobicContact CG2-CG 4.15Å; I389-A414 HydrophobicContact CD1-CB 4.07Å; I389-V461 HydrophobicContact CD1-CG1 3.65Å
390	H	93.3	Very high	93.1	Very high	57 Å²	57	79.2 Å²	79.2	26%	0.264	38%	0.381	S	S	.	.	H	α-helix	trans	-58.9	-48.9	177.8	-173.2	91.7	0	0	0	111.8	Y386 Q387 I393 Q394 W404 Q411	Y386-H390 WeakPolarHBondContact O-CB 3.4Å; Y386-H390 PolarHBondContact O-N 2.78Å; Q387-H390 WeakPolarHBondContact O-CB 3.2Å; Q387-H390 PolarHBondContact O-N 2.91Å; Q387-H390 VanDerWaalsContact O-N 3.08Å; H390-I393 PolarHBondContact O-N 3.22Å; H390-Q394 PolarHBondContact NE2-NE2 3.01Å; H390-Q394 VanDerWaalsContact NE2-NE2 3.17Å; H390-Q394 WeakPolarHBondContact O-CG 3.47Å; H390-Q394 PolarHBondContact O-N 3.32Å; H390-W404 AromaticContact CE1-CH2 3.36Å; H390-W404 WeakPolarHBondContact CE1-CH2 3.45Å; H390-W404 AromaticContact CE1-CZ2 3.87Å; H390-W404 AromaticContact ND1-CH2 3.48Å; H390-W404 WeakPolarHBondContact ND1-CH2 3.34Å; H390-W404 AromaticContact ND1-CZ2 3.95Å; H390-Q411 PolarHBondContact ND1-NE2 2.9Å
391	E	94.4	Very high	93	Very high	117 Å²	117	78.7 Å²	78.7	55%	0.547	38%	0.381	S	S	.	.	H	α-helix	trans	-60.4	-45.7	177	-69.3	167.6	177.6	0	0	111.9	Q387 I393 Q394 E395	Q387-E391 WeakPolarHBondContact O-CG 3.36Å; Q387-E391 PolarHBondContact O-N 3.46Å; E391-I393 VanDerWaalsContact C-N 3.28Å; E391-I393 PolarHBondContact O-N 3.4Å; E391-Q394 WeakPolarHBondContact O-CB 3.27Å; E391-Q394 PolarHBondContact O-N 3Å; E391-E395 PolarHBondContact O-N 2.69Å
392	K	91.8	Very high	92.9	Very high	103 Å²	103	78.7 Å²	78.7	45%	0.448	39%	0.39	S	S	.	.	H	α-helix	trans	-59.2	-38.7	175.5	-81.7	-175.5	169.5	-167.2	0	112.6	R388 I389 R396 D465	R388-K392 WeakPolarHBondContact O-CB 3.4Å; R388-K392 WeakPolarHBondContact O-CG 3.41Å; R388-K392 PolarHBondContact O-N 3.23Å; I389-K392 PolarHBondContact O-N 2.96Å; K392-R396 WeakPolarHBondContact O-CG 3.31Å; K392-R396 PolarHBondContact O-N 3.05Å; K392-D465 IonicContact NZ-OD2 3.4Å; K392-D465 PolarHBondContact NZ-OD2 2.83Å
393	I	91.9	Very high	92.8	Very high	2 Å²	2	81.8 Å²	81.8	1%	0.01	41%	0.41	C	S	.	.	H	α-helix	trans	-68.4	-45	177.9	-67.7	168.3	0	0	0	109.8	I389 H390 E391 E395 R396 V397 W404 W407 L410 Q411	I389-I393 HydrophobicContact CG2-CD1 3.69Å; I389-I393 HydrophobicContact CG2-CG1 4.39Å; I389-I393 WeakPolarHBondContact O-CG1 3.38Å; I389-I393 PolarHBondContact O-N 3.2Å; H390-I393 PolarHBondContact O-N 3.22Å; E391-I393 VanDerWaalsContact C-N 3.28Å; E391-I393 PolarHBondContact O-N 3.4Å; I393-E395 VanDerWaalsContact C-N 3.33Å; I393-E395 PolarHBondContact O-N 3.47Å; I393-R396 PolarHBondContact O-N 3.49Å; I393-V397 HydrophobicContact CG2-CG2 4.28Å; I393-V397 VanDerWaalsContact O-CG2 3.3Å; I393-V397 WeakPolarHBondContact O-CG2 3.37Å; I393-V397 PolarHBondContact O-N 3.12Å; I393-W404 HydrophobicContact CB-CZ3 4.22Å; I393-W404 HydrophobicContact CG2-CD2 4.18Å; I393-W404 HydrophobicContact CG2-CE3 3.51Å; I393-W404 HydrophobicContact CG2-CH2 4.23Å; I393-W404 HydrophobicContact CG2-CZ3 3.53Å; I393-W407 HydrophobicContact CB-CB 4.32Å; I393-W407 HydrophobicContact CD1-CB 4.02Å; I393-W407 HydrophobicContact CG1-CB 3.78Å; I393-W407 HydrophobicContact CG1-CG 4.46Å; I393-W407 HydrophobicContact CG2-CB 3.65Å; I393-W407 HydrophobicContact CG2-CG 4.23Å; I393-L410 HydrophobicContact CD1-CB 4.19Å; I393-Q411 HydrophobicContact CD1-CG 3.78Å
394	Q	93.5	Very high	92.6	Very high	85 Å²	85	83.5 Å²	83.5	40%	0.397	41%	0.405	S	S	.	.	H	α-helix	trans	-56.8	-47.3	175.3	-72	177.4	-40.8	0	0	111.2	H390 E391 R396 V397 M398 W404	H390-Q394 PolarHBondContact NE2-NE2 3.01Å; H390-Q394 VanDerWaalsContact NE2-NE2 3.17Å; H390-Q394 WeakPolarHBondContact O-CG 3.47Å; H390-Q394 PolarHBondContact O-N 3.32Å; E391-Q394 WeakPolarHBondContact O-CB 3.27Å; E391-Q394 PolarHBondContact O-N 3Å; Q394-R396 PolarHBondContact O-N 3.33Å; Q394-V397 PolarHBondContact O-N 2.78Å; Q394-M398 WeakPolarHBondContact O-CB 3.39Å; Q394-M398 VanDerWaalsContact O-CG 3.27Å; Q394-M398 WeakPolarHBondContact O-CG 3.21Å; Q394-M398 PolarHBondContact O-N 2.93Å; Q394-W404 HydrophobicContact CG-CH2 4.33Å; Q394-W404 HydrophobicContact CG-CZ3 3.79Å
395	E	93.8	Very high	92.5	Very high	120 Å²	120	84.2 Å²	84.2	56%	0.561	41%	0.41	S	S	*	.	H	α-helix	trans	-59	-45.1	177	-176.8	-176.6	-173.9	0	0	112.2	E391 I393 M398 N399	E391-E395 PolarHBondContact O-N 2.69Å; I393-E395 VanDerWaalsContact C-N 3.33Å; I393-E395 PolarHBondContact O-N 3.47Å; E395-M398 PolarHBondContact O-N 3.24Å; E395-N399 WeakPolarHBondContact O-CB 3.35Å; E395-N399 PolarHBondContact O-N 3.39Å; E395-N399 PolarHBondContact O-ND2 3.27Å
396	R	91.9	Very high	92.4	Very high	80 Å²	80	87.4 Å²	87.4	30%	0.302	43%	0.427	S	S	.	.	H	α-helix	trans	-62.8	-43.6	177.5	-75.3	-178.4	-178.5	-126.8	6.5	112.1	K392 I393 Q394 N399 N400 L401 D465	K392-R396 WeakPolarHBondContact O-CG 3.31Å; K392-R396 PolarHBondContact O-N 3.05Å; I393-R396 PolarHBondContact O-N 3.49Å; Q394-R396 PolarHBondContact O-N 3.33Å; R396-N399 CarbonylContact O-C 3.51Å; R396-N399 PolarHBondContact O-N 3.5Å; R396-N400 PolarHBondContact O-N 2.98Å; R396-L401 HydrophobicContact CB-CB 4.26Å; R396-L401 WeakPolarHBondContact O-CB 3.37Å; R396-L401 PolarHBondContact O-N 2.92Å; R396-D465 IonicContact NH2-OD1 2.94Å; R396-D465 PolarHBondContact NH2-OD1 3.31Å
397	V	93.2	Very high	92.2	Very high	45 Å²	45	86.5 Å²	86.5	27%	0.273	42%	0.424	S	S	.	.	H	α-helix	trans	-64.8	-43.8	177.9	173.1	0	0	0	0	110.8	I393 Q394 N399 N400 W404	I393-V397 HydrophobicContact CG2-CG2 4.28Å; I393-V397 VanDerWaalsContact O-CG2 3.3Å; I393-V397 WeakPolarHBondContact O-CG2 3.37Å; I393-V397 PolarHBondContact O-N 3.12Å; Q394-V397 PolarHBondContact O-N 2.78Å; V397-N399 VanDerWaalsContact C-N 3.26Å; V397-N399 PolarHBondContact O-N 3.44Å; V397-N400 PolarHBondContact O-N 3.27Å; V397-W404 HydrophobicContact CG2-CE3 4.45Å
398	M	92.9	Very high	92	Very high	155 Å²	155	84.6 Å²	84.6	76%	0.764	42%	0.415	S	S	*	.	H	α-helix	trans	-62.7	-32.3	175.9	-72.7	179.5	71.3	0	0	112.8	Q394 E395 N400	Q394-M398 WeakPolarHBondContact O-CB 3.39Å; Q394-M398 VanDerWaalsContact O-CG 3.27Å; Q394-M398 WeakPolarHBondContact O-CG 3.21Å; Q394-M398 PolarHBondContact O-N 2.93Å; E395-M398 PolarHBondContact O-N 3.24Å; M398-N400 PolarHBondContact O-N 3.11Å
399	N	94.5	Very high	92	Very high	96 Å²	96	79.9 Å²	79.9	51%	0.513	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	12.7	174.8	-71.2	-40.9	0	0	0	113.5	E395 R396 V397 L401	E395-N399 WeakPolarHBondContact O-CB 3.35Å; E395-N399 PolarHBondContact O-N 3.39Å; E395-N399 PolarHBondContact O-ND2 3.27Å; R396-N399 CarbonylContact O-C 3.51Å; R396-N399 PolarHBondContact O-N 3.5Å; V397-N399 VanDerWaalsContact C-N 3.26Å; V397-N399 PolarHBondContact O-N 3.44Å; N399-L401 HydrophobicContact CB-CD1 4.35Å; N399-L401 HydrophobicContact CB-CG 4.27Å; N399-L401 PolarHBondContact O-N 3.45Å
400	N	92.2	Very high	92	Very high	148 Å²	148	80.2 Å²	80.2	79%	0.791	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	25.8	-178.6	-58	-51.3	0	0	0	114.4	R396 V397 M398 G402	R396-N400 PolarHBondContact O-N 2.98Å; V397-N400 PolarHBondContact O-N 3.27Å; M398-N400 PolarHBondContact O-N 3.11Å; N400-G402 VanDerWaalsContact C-N 3.29Å; N400-G402 PolarHBondContact O-N 3.46Å
401	L	90.9	Very high	92	Very high	102 Å²	102	78 Å²	78	53%	0.534	39%	0.388	S	S	.	.	S	Bend	trans	-90.4	60.6	176.5	-60.6	175.7	0	0	0	110.8	R396 N399 W407	R396-L401 HydrophobicContact CB-CB 4.26Å; R396-L401 WeakPolarHBondContact O-CB 3.37Å; R396-L401 PolarHBondContact O-N 2.92Å; N399-L401 HydrophobicContact CB-CD1 4.35Å; N399-L401 HydrophobicContact CB-CG 4.27Å; N399-L401 PolarHBondContact O-N 3.45Å; L401-W407 WeakPolarHBondContact O-CZ2 3.5Å; L401-W407 PolarHBondContact O-NE1 3.32Å
402	G	90.6	Very high	92	Very high	37 Å²	37	75.4 Å²	75.4	38%	0.381	38%	0.378	S	S	.	.	S	Bend	trans	87	179.4	-177.1	0	0	0	0	0	113.9	N400	N400-G402 VanDerWaalsContact C-N 3.29Å; N400-G402 PolarHBondContact O-N 3.46Å
403	T	92.6	Very high	92.2	Very high	72 Å²	72	70.5 Å²	70.5	44%	0.442	36%	0.357	S	S	.	.			trans	-97.6	168.2	-176.7	69.2	0	0	0	0	111.8	I405 D406	T403-I405 PolarHBondContact O-N 2.86Å; T403-I405 PolarHBondContact OG1-N 3.43Å; T403-D406 WeakPolarHBondContact CB-OD2 3.27Å; T403-D406 PolarHBondContact N-OD2 3.31Å; T403-D406 WeakPolarHBondContact O-CB 3.43Å; T403-D406 PolarHBondContact O-N 3.07Å; T403-D406 PolarHBondContact OG1-N 2.94Å; T403-D406 PolarHBondContact OG1-OD2 3.15Å
404	W	90.4	Very high	92.4	Very high	91 Å²	91	70.7 Å²	70.7	35%	0.345	36%	0.359	S	S	.	.	H	α-helix	trans	-54.5	-38.5	173.4	-172.6	-97.2	0	0	0	113.1	H390 I393 Q394 V397 D406 W407 Q408	H390-W404 AromaticContact CE1-CH2 3.36Å; H390-W404 WeakPolarHBondContact CE1-CH2 3.45Å; H390-W404 AromaticContact CE1-CZ2 3.87Å; H390-W404 AromaticContact ND1-CH2 3.48Å; H390-W404 WeakPolarHBondContact ND1-CH2 3.34Å; H390-W404 AromaticContact ND1-CZ2 3.95Å; I393-W404 HydrophobicContact CB-CZ3 4.22Å; I393-W404 HydrophobicContact CG2-CD2 4.18Å; I393-W404 HydrophobicContact CG2-CE3 3.51Å; I393-W404 HydrophobicContact CG2-CH2 4.23Å; I393-W404 HydrophobicContact CG2-CZ3 3.53Å; Q394-W404 HydrophobicContact CG-CH2 4.33Å; Q394-W404 HydrophobicContact CG-CZ3 3.79Å; V397-W404 HydrophobicContact CG2-CE3 4.45Å; W404-D406 VanDerWaalsContact C-N 3.31Å; W404-D406 PolarHBondContact O-N 3.5Å; W404-W407 PolarHBondContact O-N 2.85Å; W404-Q408 PolarHBondContact O-N 3Å
405	I	90.4	Very high	92.4	Very high	122 Å²	122	71.9 Å²	71.9	63%	0.626	36%	0.363	S	S	*	.	H	α-helix	trans	-65.1	-38.2	-177.7	-61.6	173.3	0	0	0	110.5	T403 W407 Q408	T403-I405 PolarHBondContact O-N 2.86Å; T403-I405 PolarHBondContact OG1-N 3.43Å; I405-W407 PolarHBondContact O-N 2.95Å; I405-W407 VanDerWaalsContact O-N 3.17Å; I405-Q408 PolarHBondContact O-N 3.32Å
406	D	88.4	Confident	92.5	Very high	76 Å²	76	67.4 Å²	67.4	41%	0.406	34%	0.343	S	S	.	.	H	α-helix	trans	-60.9	-28	179	-61.6	-50.4	0	0	0	112.3	T403 W404 Y409	T403-D406 WeakPolarHBondContact CB-OD2 3.27Å; T403-D406 PolarHBondContact N-OD2 3.31Å; T403-D406 WeakPolarHBondContact O-CB 3.43Å; T403-D406 PolarHBondContact O-N 3.07Å; T403-D406 PolarHBondContact OG1-N 2.94Å; T403-D406 PolarHBondContact OG1-OD2 3.15Å; W404-D406 VanDerWaalsContact C-N 3.31Å; W404-D406 PolarHBondContact O-N 3.5Å; D406-Y409 WeakPolarHBondContact O-CD1 3.29Å; D406-Y409 WeakPolarHBondContact O-CE1 3.42Å
407	W	90.6	Very high	92.7	Very high	46 Å²	46	63.8 Å²	63.8	17%	0.174	33%	0.329	C	S	.	.	H	α-helix	trans	-107.5	-7.1	-176.7	-58	108.8	0	0	0	114.7	I393 L401 W404 I405 Y409 L410	I393-W407 HydrophobicContact CB-CB 4.32Å; I393-W407 HydrophobicContact CD1-CB 4.02Å; I393-W407 HydrophobicContact CG1-CB 3.78Å; I393-W407 HydrophobicContact CG1-CG 4.46Å; I393-W407 HydrophobicContact CG2-CB 3.65Å; I393-W407 HydrophobicContact CG2-CG 4.23Å; L401-W407 WeakPolarHBondContact O-CZ2 3.5Å; L401-W407 PolarHBondContact O-NE1 3.32Å; W404-W407 PolarHBondContact O-N 2.85Å; I405-W407 PolarHBondContact O-N 2.95Å; I405-W407 VanDerWaalsContact O-N 3.17Å; W407-Y409 HydrophobicContact CE3-CE1 4.23Å; W407-Y409 PolarHBondContact O-N 2.93Å; W407-Y409 VanDerWaalsContact O-N 3.08Å; W407-L410 HydrophobicContact CE3-CD1 4.09Å; W407-L410 PolarHBondContact O-N 3.26Å
408	Q	90.5	Very high	92.8	Very high	81 Å²	81	63 Å²	63	38%	0.379	33%	0.328	S	S	.	.	H	α-helix	trans	-56.6	-30.4	-175	-169.4	-176.4	21	0	0	112.8	W404 I405 L410 Q411 N412	W404-Q408 PolarHBondContact O-N 3Å; I405-Q408 PolarHBondContact O-N 3.32Å; Q408-L410 PolarHBondContact O-N 3.04Å; Q408-Q411 PolarHBondContact O-N 3.43Å; Q408-Q411 VanDerWaalsContact O-N 3.1Å; Q408-N412 PolarHBondContact O-N 2.91Å
409	Y	92.3	Very high	92.8	Very high	30 Å²	30	59 Å²	59	12%	0.118	31%	0.307	C	S	.	.	H	α-helix	trans	-55.8	-32.8	177.9	74.3	-86	0	0	0	112.9	D406 W407 N412 A413 R469 L472	D406-Y409 WeakPolarHBondContact O-CD1 3.29Å; D406-Y409 WeakPolarHBondContact O-CE1 3.42Å; W407-Y409 HydrophobicContact CE3-CE1 4.23Å; W407-Y409 PolarHBondContact O-N 2.93Å; W407-Y409 VanDerWaalsContact O-N 3.08Å; Y409-N412 PolarHBondContact O-N 3.4Å; Y409-A413 WeakPolarHBondContact O-CB 3.31Å; Y409-A413 PolarHBondContact O-N 2.82Å; Y409-R469 HydrophobicContact CD1-CG 4.32Å; Y409-R469 HydrophobicContact CD2-CG 3.94Å; Y409-R469 HydrophobicContact CE1-CG 4.41Å; Y409-R469 HydrophobicContact CE2-CB 4.2Å; Y409-R469 HydrophobicContact CE2-CG 4.03Å; Y409-R469 HydrophobicContact CG-CG 4.1Å; Y409-L472 HydrophobicContact CD2-CD2 4Å; Y409-L472 HydrophobicContact CE2-CD2 4.01Å
410	L	93.1	Very high	92.9	Very high	20 Å²	20	54.5 Å²	54.5	11%	0.105	28%	0.282	C	S	.	.	H	α-helix	trans	-68.6	-41.3	177.3	-65.9	176.9	0	0	0	112.3	I389 I393 W407 Q408 A413 A414 A464 L472	I389-L410 HydrophobicContact CG2-CB 3.76Å; I393-L410 HydrophobicContact CD1-CB 4.19Å; W407-L410 HydrophobicContact CE3-CD1 4.09Å; W407-L410 PolarHBondContact O-N 3.26Å; Q408-L410 PolarHBondContact O-N 3.04Å; L410-A413 PolarHBondContact O-N 2.95Å; L410-A414 PolarHBondContact O-N 2.65Å; L410-A464 HydrophobicContact CD2-CB 3.6Å; L410-L472 HydrophobicContact CD2-CD2 3.73Å
411	Q	92.4	Very high	93.1	Very high	9 Å²	9	47.4 Å²	47.4	4%	0.042	24%	0.244	C	C	.	.	H	α-helix	trans	-68.1	-39	174.2	-77.6	-179.8	46.3	0	0	111.2	Y386 I389 H390 I393 Q408 A413 A414 K415	Y386-Q411 HydrophobicContact CE2-CB 4.05Å; Y386-Q411 HydrophobicContact CE2-CG 4.15Å; Y386-Q411 PolarHBondContact OH-OE1 3.02Å; I389-Q411 HydrophobicContact CG2-CG 4.15Å; H390-Q411 PolarHBondContact ND1-NE2 2.9Å; I393-Q411 HydrophobicContact CD1-CG 3.78Å; Q408-Q411 PolarHBondContact O-N 3.43Å; Q408-Q411 VanDerWaalsContact O-N 3.1Å; Q411-A413 VanDerWaalsContact C-N 3.33Å; Q411-A414 PolarHBondContact O-N 2.73Å; Q411-K415 WeakPolarHBondContact O-CG 3.35Å; Q411-K415 PolarHBondContact O-N 2.83Å
412	N	94.1	Very high	93.3	Very high	63 Å²	63	44.5 Å²	44.5	34%	0.337	23%	0.226	S	C	.	.	H	α-helix	trans	-63.4	-40.5	175.4	-68.2	-13.7	0	0	0	111.2	Q408 Y409 K415 L416 M476	Q408-N412 PolarHBondContact O-N 2.91Å; Y409-N412 PolarHBondContact O-N 3.4Å; N412-K415 PolarHBondContact O-N 3.47Å; N412-L416 WeakPolarHBondContact O-CB 3.12Å; N412-L416 PolarHBondContact O-N 3.38Å; N412-M476 HydrophobicContact CB-CE 4.08Å
413	A	95.7	Very high	93.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.5	-47.3	174.1	0	0	0	0	0	111.9	Y409 L410 Q411 L416 L417 V461 L472 M476	Y409-A413 WeakPolarHBondContact O-CB 3.31Å; Y409-A413 PolarHBondContact O-N 2.82Å; L410-A413 PolarHBondContact O-N 2.95Å; Q411-A413 VanDerWaalsContact C-N 3.33Å; A413-L416 PolarHBondContact O-N 2.75Å; A413-L417 VanDerWaalsContact O-CB 3.28Å; A413-L417 WeakPolarHBondContact O-CB 3.41Å; A413-L417 PolarHBondContact O-N 2.87Å; A413-V461 HydrophobicContact CB-CG2 3.87Å; A413-L472 HydrophobicContact CB-CD1 4.14Å; A413-L472 HydrophobicContact CB-CD2 3.86Å; A413-L472 HydrophobicContact CB-CG 4.06Å; A413-M476 VanDerWaalsContact CA-SD 3.55Å; A413-M476 HydrophobicContact CB-CE 4.24Å; A413-M476 HydrophobicContact CB-CG 4.04Å; A413-M476 HydrophobicContact CB-SD 3.45Å; A413-M476 WeakPolarHBondContact CB-SD 3.48Å
414	A	95.6	Very high	93.7	Very high	7 Å²	7	39.4 Å²	39.4	6%	0.058	19%	0.188	C	C	.	.	H	α-helix	trans	-65.3	-39.1	178.2	0	0	0	0	0	112.7	Y386 I389 L410 Q411 A418 V461	Y386-A414 HydrophobicContact CD2-CB 3.77Å; I389-A414 HydrophobicContact CD1-CB 4.07Å; L410-A414 PolarHBondContact O-N 2.65Å; Q411-A414 PolarHBondContact O-N 2.73Å; A414-A418 PolarHBondContact O-N 2.88Å; A414-V461 HydrophobicContact CB-CG1 4.27Å
415	K	94.1	Very high	93.9	Very high	109 Å²	109	35.2 Å²	35.2	47%	0.474	17%	0.172	S	C	.	.	H	α-helix	trans	-63.2	-45.3	173.3	-75.7	174.2	-176.3	175.1	0	111.9	Y386 Q411 N412 A418 K419	Y386-K415 HydrophobicContact CD2-CG 4.26Å; Y386-K415 HydrophobicContact CE2-CD 4.25Å; Y386-K415 HydrophobicContact CE2-CG 3.68Å; Y386-K415 WeakPolarHBondContact OH-CE 3.48Å; Q411-K415 WeakPolarHBondContact O-CG 3.35Å; Q411-K415 PolarHBondContact O-N 2.83Å; N412-K415 PolarHBondContact O-N 3.47Å; K415-A418 PolarHBondContact O-N 2.8Å; K415-K419 PolarHBondContact O-N 3.49Å
416	L	95.6	Very high	94.2	Very high	26 Å²	26	30 Å²	30	14%	0.136	15%	0.145	C	C	.	.	H	α-helix	trans	-65.2	-42.9	178.7	178.9	63.4	0	0	0	111.4	N412 A413 A418 K419 C420 M476 E480	N412-L416 WeakPolarHBondContact O-CB 3.12Å; N412-L416 PolarHBondContact O-N 3.38Å; A413-L416 PolarHBondContact O-N 2.75Å; L416-A418 VanDerWaalsContact C-N 3.33Å; L416-A418 PolarHBondContact O-N 2.95Å; L416-K419 HydrophobicContact CD1-CD 4.46Å; L416-K419 WeakPolarHBondContact O-CB 3.42Å; L416-K419 PolarHBondContact O-N 3.06Å; L416-K419 VanDerWaalsContact O-N 3.13Å; L416-C420 PolarHBondContact O-N 2.95Å; L416-C420 PolarHBondContact O-SG 3.27Å; L416-M476 HydrophobicContact CD2-CB 3.51Å; L416-M476 HydrophobicContact CD2-CE 4.17Å; L416-M476 HydrophobicContact CD2-CG 3.94Å; L416-M476 VanDerWaalsContact CD2-O 3.31Å; L416-M476 WeakPolarHBondContact CD2-O 3.19Å; L416-E480 HydrophobicContact CD1-CB 3.95Å; L416-E480 HydrophobicContact CD1-CG 4.24Å; L416-E480 VanDerWaalsContact CD1-OE2 3.27Å; L416-E480 WeakPolarHBondContact CD1-OE2 3.47Å; L416-E480 HydrophobicContact CD2-CB 4.22Å
417	L	96.8	Very high	94.6	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-55.2	-49.3	174.7	173.6	61.5	0	0	0	111.2	E382 A413 K419 C420 R421 I454 L457 V461	E382-L417 HydrophobicContact CG-CD2 3.99Å; E382-L417 HydrophobicContact CG-CG 4.39Å; E382-L417 WeakPolarHBondContact OE1-CD1 3.37Å; E382-L417 VanDerWaalsContact OE1-CD2 3.3Å; E382-L417 WeakPolarHBondContact OE1-CD2 3.35Å; E382-L417 VanDerWaalsContact OE1-CG 3.28Å; E382-L417 WeakPolarHBondContact OE1-CG 3.42Å; A413-L417 VanDerWaalsContact O-CB 3.28Å; A413-L417 WeakPolarHBondContact O-CB 3.41Å; A413-L417 PolarHBondContact O-N 2.87Å; L417-K419 VanDerWaalsContact C-N 3.34Å; L417-K419 PolarHBondContact O-N 3.5Å; L417-C420 PolarHBondContact O-N 3.06Å; L417-R421 WeakPolarHBondContact O-CB 3.37Å; L417-R421 PolarHBondContact O-N 2.93Å; L417-I454 HydrophobicContact CD1-CG2 4.03Å; L417-L457 HydrophobicContact CB-CD2 3.98Å; L417-L457 HydrophobicContact CB-CG 4.26Å; L417-L457 HydrophobicContact CD1-CB 4.32Å; L417-L457 HydrophobicContact CD1-CD2 4.29Å; L417-L457 HydrophobicContact CD1-CG 4.22Å; L417-V461 HydrophobicContact CD2-CB 4.15Å; L417-V461 HydrophobicContact CD2-CG1 4.26Å; L417-V461 HydrophobicContact CD2-CG2 4.25Å
418	A	95.1	Very high	94.9	Very high	30 Å²	30	24.2 Å²	24.2	25%	0.248	12%	0.117	C	C	.	.	H	α-helix	trans	-59.9	-42.3	175.9	0	0	0	0	0	112	L379 A414 K415 L416 R421 Y422	L379-A418 HydrophobicContact CD1-CB 3.83Å; L379-A418 WeakPolarHBondContact CD1-O 3.46Å; A414-A418 PolarHBondContact O-N 2.88Å; K415-A418 PolarHBondContact O-N 2.8Å; L416-A418 VanDerWaalsContact C-N 3.33Å; L416-A418 PolarHBondContact O-N 2.95Å; A418-R421 PolarHBondContact O-N 2.87Å; A418-Y422 WeakPolarHBondContact O-CB 3.2Å; A418-Y422 PolarHBondContact O-N 3.43Å
419	K	93.8	Very high	95.1	Very high	71 Å²	71	20.4 Å²	20.4	31%	0.309	10%	0.099	S	C	.	.	H	α-helix	trans	-59.2	-49.3	175.2	-171.1	-171.6	-171.4	-170.4	0	111.5	D55 E57 K415 L416 L417 Y422 T423 E480 R483	D55-K419 IonicContact OD2-NZ 2.66Å; E57-K419 WeakPolarHBondContact OE2-CE 3.47Å; E57-K419 IonicContact OE2-NZ 2.78Å; K415-K419 PolarHBondContact O-N 3.49Å; L416-K419 HydrophobicContact CD1-CD 4.46Å; L416-K419 WeakPolarHBondContact O-CB 3.42Å; L416-K419 PolarHBondContact O-N 3.06Å; L416-K419 VanDerWaalsContact O-N 3.13Å; L417-K419 VanDerWaalsContact C-N 3.34Å; L417-K419 PolarHBondContact O-N 3.5Å; K419-Y422 PolarHBondContact O-N 3.38Å; K419-T423 PolarHBondContact O-N 3.25Å; K419-T423 VanDerWaalsContact O-N 3.11Å; K419-T423 PolarHBondContact O-OG1 2.88Å; K419-E480 IonicContact NZ-OE1 3.6Å; K419-E480 PolarHBondContact NZ-OE1 2.99Å; K419-R483 VanDerWaalsContact CE-CZ 3.41Å
420	C	96.1	Very high	95.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-65.5	-44.5	-179.9	-64.4	0	0	0	0	112	L416 L417 Y422 T423 L424 I454	L416-C420 PolarHBondContact O-N 2.95Å; L416-C420 PolarHBondContact O-SG 3.27Å; L417-C420 PolarHBondContact O-N 3.06Å; C420-Y422 VanDerWaalsContact C-N 3.32Å; C420-Y422 PolarHBondContact O-N 3.16Å; C420-T423 PolarHBondContact O-N 3.06Å; C420-L424 WeakPolarHBondContact O-CB 3.45Å; C420-L424 PolarHBondContact O-N 2.78Å; C420-I454 HydrophobicContact CB-CD1 3.69Å; C420-I454 HydrophobicContact CB-CG1 3.58Å; C420-I454 WeakPolarHBondContact O-CD1 3.4Å
421	R	96.3	Very high	95.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.5	-39.6	177.8	-173.8	172.1	-59.3	-83.4	5.3	111.9	G309 H375 S378 L379 E382 L417 A418 L424 Q425 I454 E455 S458	G309-R421 PolarHBondContact O-NH2 2.83Å; H375-R421 HydrophobicContact CB-CG 4.38Å; H375-R421 PolarHBondContact ND1-NH1 3.47Å; H375-R421 VanDerWaalsContact ND1-NH1 3.12Å; H375-R421 WeakPolarHBondContact O-CD 3.5Å; S378-R421 VanDerWaalsContact CB-CD 3.47Å; L379-R421 HydrophobicContact CD1-CB 4.36Å; E382-R421 IonicContact OE1-CZ 2.8Å; E382-R421 IonicContact OE1-NE 3.62Å; E382-R421 PolarHBondContact OE1-NE 2.9Å; E382-R421 IonicContact OE1-NH2 2.72Å; E382-R421 PolarHBondContact OE1-NH2 2.62Å; E382-R421 WeakPolarHBondContact OE2-CD 3.42Å; E382-R421 IonicContact OE2-NE 2.83Å; E382-R421 PolarHBondContact OE2-NE 3.35Å; L417-R421 WeakPolarHBondContact O-CB 3.37Å; L417-R421 PolarHBondContact O-N 2.93Å; A418-R421 PolarHBondContact O-N 2.87Å; R421-L424 PolarHBondContact O-N 3.42Å; R421-Q425 PolarHBondContact O-N 3.27Å; R421-I454 HydrophobicContact CB-CG2 4.43Å; R421-E455 IonicContact CZ-OE1 2.71Å; R421-E455 IonicContact NH1-OE1 3.7Å; R421-E455 PolarHBondContact NH1-OE1 3.33Å; R421-E455 IonicContact NH1-OE2 2.72Å; R421-E455 IonicContact NH2-OE1 2.89Å; R421-E455 IonicContact NH2-OE2 3.12Å; R421-S458 PolarHBondContact NH2-OG 2.84Å
422	Y	94.9	Very high	95.5	Very high	40 Å²	40	20.8 Å²	20.8	16%	0.157	10%	0.099	C	C	.	.	H	α-helix	trans	-59	-49.3	174.1	-174.4	-91.7	0	0	0	111.6	M263 Y264 L379 A418 K419 C420 L424 Q425 Y426	M263-Y422 WeakPolarHBondContact CB-OH 3.28Å; M263-Y422 HydrophobicContact CE-CE2 4Å; Y264-Y422 HydrophobicContact CD1-CE1 4.26Å; Y264-Y422 PolarHBondContact N-OH 3.11Å; Y264-Y422 WeakPolarHBondContact O-CE1 3.3Å; Y264-Y422 PolarHBondContact O-OH 3.44Å; L379-Y422 HydrophobicContact CD2-CD2 3.82Å; A418-Y422 WeakPolarHBondContact O-CB 3.2Å; A418-Y422 PolarHBondContact O-N 3.43Å; K419-Y422 PolarHBondContact O-N 3.38Å; C420-Y422 VanDerWaalsContact C-N 3.32Å; C420-Y422 PolarHBondContact O-N 3.16Å; Y422-L424 VanDerWaalsContact C-N 3.34Å; Y422-L424 PolarHBondContact O-N 2.86Å; Y422-Q425 WeakPolarHBondContact O-CB 3.34Å; Y422-Q425 PolarHBondContact O-N 2.72Å; Y422-Y426 HydrophobicContact CD1-CD2 4.3Å; Y422-Y426 HydrophobicContact CD1-CE2 4.27Å; Y422-Y426 HydrophobicContact CD2-CE2 4.24Å; Y422-Y426 HydrophobicContact CE1-CD2 4.01Å; Y422-Y426 AromaticContact CE1-CE2 3.74Å; Y422-Y426 HydrophobicContact CE1-CE2 3.74Å; Y422-Y426 AromaticContact CE2-CE2 3.73Å; Y422-Y426 HydrophobicContact CE2-CE2 3.73Å; Y422-Y426 AromaticContact CZ-CE2 3.45Å; Y422-Y426 VanDerWaalsContact CZ-CE2 3.45Å; Y422-Y426 VanDerWaalsContact O-CD2 3.29Å; Y422-Y426 WeakPolarHBondContact O-CD2 3.17Å; Y422-Y426 PolarHBondContact O-N 2.89Å
423	T	95.4	Very high	95.6	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.018	10%	0.098	C	C	.	.	H	α-helix	trans	-58.3	-46.2	173.6	-59.4	0	0	0	0	111.3	K419 C420 Q425 Y426 T427 R483 L487	K419-T423 PolarHBondContact O-N 3.25Å; K419-T423 VanDerWaalsContact O-N 3.11Å; K419-T423 PolarHBondContact O-OG1 2.88Å; C420-T423 PolarHBondContact O-N 3.06Å; T423-Q425 VanDerWaalsContact C-N 3.34Å; T423-Q425 PolarHBondContact O-N 2.71Å; T423-Y426 PolarHBondContact O-N 3.45Å; T423-Y426 VanDerWaalsContact O-N 3.15Å; T423-T427 WeakPolarHBondContact O-CG2 3.49Å; T423-T427 PolarHBondContact O-N 3.35Å; T423-R483 HydrophobicContact CG2-CG 3.91Å; T423-R483 PolarHBondContact OG1-NH1 3.41Å; T423-L487 HydrophobicContact CG2-CD1 4.38Å; T423-L487 HydrophobicContact CG2-CD2 3.92Å; T423-L487 HydrophobicContact CG2-CG 4.19Å
424	L	95.9	Very high	95.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.9	-41.4	179.8	-178.5	68.1	0	0	0	112.3	H375 C420 R421 Y422 Y426 T427 Y428 Q447 E451 I454	H375-L424 WeakPolarHBondContact CE1-CD2 3.46Å; H375-L424 WeakPolarHBondContact NE2-CD2 3.27Å; C420-L424 WeakPolarHBondContact O-CB 3.45Å; C420-L424 PolarHBondContact O-N 2.78Å; R421-L424 PolarHBondContact O-N 3.42Å; Y422-L424 VanDerWaalsContact C-N 3.34Å; Y422-L424 PolarHBondContact O-N 2.86Å; L424-Y426 VanDerWaalsContact C-N 3.26Å; L424-Y426 PolarHBondContact O-N 3.39Å; L424-T427 WeakPolarHBondContact O-CB 3.33Å; L424-T427 PolarHBondContact O-N 3.01Å; L424-T427 PolarHBondContact O-OG1 3.37Å; L424-Y428 HydrophobicContact CD1-CE2 4.31Å; L424-Y428 HydrophobicContact CG-CE2 4.25Å; L424-Y428 WeakPolarHBondContact O-CD2 3.39Å; L424-Q447 HydrophobicContact CD1-CG 4.17Å; L424-E451 HydrophobicContact CD1-CB 3.94Å; L424-E451 HydrophobicContact CD2-CB 3.89Å; L424-E451 HydrophobicContact CD2-CG 3.8Å; L424-I454 HydrophobicContact CB-CD1 3.67Å; L424-I454 HydrophobicContact CD2-CD1 3.8Å; L424-I454 HydrophobicContact CG-CD1 4.24Å
425	Q	95.8	Very high	95.2	Very high	3 Å²	3	31 Å²	31	1%	0.014	14%	0.141	C	C	.	.	H	α-helix	trans	-50.8	-49.3	174.7	176.8	-176.8	2.4	0	0	110.7	W372 H375 N376 R421 Y422 T423 T427 Y428 P429	W372-Q425 HydrophobicContact CG-CG 4.21Å; H375-Q425 HydrophobicContact CB-CB 4.02Å; H375-Q425 HydrophobicContact CB-CG 4.48Å; N376-Q425 PolarHBondContact OD1-NE2 2.87Å; R421-Q425 PolarHBondContact O-N 3.27Å; Y422-Q425 WeakPolarHBondContact O-CB 3.34Å; Y422-Q425 PolarHBondContact O-N 2.72Å; T423-Q425 VanDerWaalsContact C-N 3.34Å; T423-Q425 PolarHBondContact O-N 2.71Å; Q425-T427 VanDerWaalsContact C-N 3.29Å; Q425-T427 PolarHBondContact O-N 2.89Å; Q425-Y428 PolarHBondContact O-N 3.19Å; Q425-P429 WeakPolarHBondContact O-CD 3.38Å
426	Y	95.9	Very high	95	Very high	13 Å²	13	29.6 Å²	29.6	5%	0.051	15%	0.145	C	C	.	.	H	α-helix	trans	-78.6	-4.6	-178.9	-68.1	-78.2	0	0	0	114.6	H265 T268 I273 Y422 T423 L424 Y428	H265-Y426 HydrophobicContact CB-CD1 3.66Å; H265-Y426 HydrophobicContact CB-CE1 3.71Å; H265-Y426 HydrophobicContact CB-CG 4.16Å; T268-Y426 PolarHBondContact OG1-O 3.04Å; I273-Y426 HydrophobicContact CD1-CD1 3.72Å; I273-Y426 HydrophobicContact CD1-CE1 3.62Å; I273-Y426 HydrophobicContact CG1-CD1 4.34Å; I273-Y426 HydrophobicContact CG1-CE1 4.07Å; Y422-Y426 HydrophobicContact CD1-CD2 4.3Å; Y422-Y426 HydrophobicContact CD1-CE2 4.27Å; Y422-Y426 HydrophobicContact CD2-CE2 4.24Å; Y422-Y426 HydrophobicContact CE1-CD2 4.01Å; Y422-Y426 AromaticContact CE1-CE2 3.74Å; Y422-Y426 HydrophobicContact CE1-CE2 3.74Å; Y422-Y426 AromaticContact CE2-CE2 3.73Å; Y422-Y426 HydrophobicContact CE2-CE2 3.73Å; Y422-Y426 AromaticContact CZ-CE2 3.45Å; Y422-Y426 VanDerWaalsContact CZ-CE2 3.45Å; Y422-Y426 VanDerWaalsContact O-CD2 3.29Å; Y422-Y426 WeakPolarHBondContact O-CD2 3.17Å; Y422-Y426 PolarHBondContact O-N 2.89Å; T423-Y426 PolarHBondContact O-N 3.45Å; T423-Y426 VanDerWaalsContact O-N 3.15Å; L424-Y426 VanDerWaalsContact C-N 3.26Å; L424-Y426 PolarHBondContact O-N 3.39Å; Y426-Y428 VanDerWaalsContact C-N 3.3Å
427	T	96.6	Very high	94.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-70	-28.5	169.3	64.4	0	0	0	0	112.4	P267 T423 L424 Q425 Y430 A431 F443 Q447 L486	P267-T427 HydrophobicContact CG-CG2 4Å; T423-T427 WeakPolarHBondContact O-CG2 3.49Å; T423-T427 PolarHBondContact O-N 3.35Å; L424-T427 WeakPolarHBondContact O-CB 3.33Å; L424-T427 PolarHBondContact O-N 3.01Å; L424-T427 PolarHBondContact O-OG1 3.37Å; Q425-T427 VanDerWaalsContact C-N 3.29Å; Q425-T427 PolarHBondContact O-N 2.89Å; T427-Y430 WeakPolarHBondContact O-CB 3.32Å; T427-Y430 PolarHBondContact O-N 3.43Å; T427-A431 WeakPolarHBondContact O-CB 3.34Å; T427-A431 PolarHBondContact O-N 3.27Å; T427-F443 HydrophobicContact CG2-CZ 4.03Å; T427-Q447 PolarHBondContact OG1-NE2 2.92Å; T427-L486 HydrophobicContact CG2-CD1 4.07Å; T427-L486 HydrophobicContact CG2-CD2 4.01Å
428	Y	96.4	Very high	94.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-72.4	-48.7	-176.5	-74.5	-72.4	0	0	0	113.8	Y368 R371 H375 L424 Q425 Y426 Y430 A431 Y432 E451	Y368-Y428 AromaticContact CD1-CD1 3.93Å; Y368-Y428 HydrophobicContact CD1-CD1 3.93Å; Y368-Y428 VanDerWaalsContact CD1-O 3.29Å; Y368-Y428 WeakPolarHBondContact CD1-O 3.43Å; Y368-Y428 HydrophobicContact CE1-CD1 4.42Å; R371-Y428 HydrophobicContact CB-CD1 3.77Å; R371-Y428 HydrophobicContact CB-CD2 4.02Å; R371-Y428 HydrophobicContact CB-CE1 3.68Å; R371-Y428 HydrophobicContact CB-CE2 3.91Å; R371-Y428 HydrophobicContact CB-CG 3.92Å; R371-Y428 HydrophobicContact CG-CD1 4.44Å; R371-Y428 HydrophobicContact CG-CE1 3.98Å; H375-Y428 AromaticContact CD2-CD2 3.94Å; H375-Y428 AromaticContact CD2-CE2 3.37Å; H375-Y428 WeakPolarHBondContact CD2-CE2 3.38Å; H375-Y428 AromaticContact NE2-CE2 3.56Å; L424-Y428 HydrophobicContact CD1-CE2 4.31Å; L424-Y428 HydrophobicContact CG-CE2 4.25Å; L424-Y428 WeakPolarHBondContact O-CD2 3.39Å; Q425-Y428 PolarHBondContact O-N 3.19Å; Y426-Y428 VanDerWaalsContact C-N 3.3Å; Y428-Y430 PolarHBondContact O-N 3.35Å; Y428-A431 PolarHBondContact O-N 2.81Å; Y428-Y432 PolarHBondContact O-N 2.74Å; Y428-E451 PolarHBondContact OH-OE1 3.28Å; Y428-E451 PolarHBondContact OH-OE2 3.41Å
429	P	95.9	Very high	94.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-56.4	-39.2	170.1	-27	35.7	0	0	0	112.7	I273 W276 W372 Q425 Y432 Y433	I273-P429 HydrophobicContact CD1-CB 4.44Å; I273-P429 HydrophobicContact CD1-CG 4.43Å; W276-P429 HydrophobicContact CB-CB 4.03Å; W276-P429 HydrophobicContact CD2-CB 3.85Å; W276-P429 HydrophobicContact CD2-CG 3.96Å; W276-P429 HydrophobicContact CE3-CB 4.35Å; W276-P429 HydrophobicContact CG-CB 3.67Å; W276-P429 HydrophobicContact CG-CG 3.85Å; W372-P429 HydrophobicContact CG-CG 4.27Å; Q425-P429 WeakPolarHBondContact O-CD 3.38Å; P429-Y432 PolarHBondContact O-N 3.16Å; P429-Y433 WeakPolarHBondContact O-CD2 3.4Å; P429-Y433 PolarHBondContact O-N 2.86Å
430	Y	95.5	Very high	94.5	Very high	31 Å²	31	36 Å²	36	12%	0.122	18%	0.182	C	C	.	.	H	α-helix	trans	-59.9	-56.5	175.3	-170.1	-107.2	0	0	0	111	P267 T268 T427 Y428 Y432 Y433 M434 F443 F490	P267-Y430 HydrophobicContact CG-CG 4.4Å; T268-Y430 WeakPolarHBondContact OG1-CB 3.35Å; T268-Y430 PolarHBondContact OG1-N 3.05Å; T427-Y430 WeakPolarHBondContact O-CB 3.32Å; T427-Y430 PolarHBondContact O-N 3.43Å; Y428-Y430 PolarHBondContact O-N 3.35Å; Y430-Y432 VanDerWaalsContact C-N 3.27Å; Y430-Y432 PolarHBondContact O-N 3.3Å; Y430-Y433 PolarHBondContact O-N 3.13Å; Y430-Y433 VanDerWaalsContact O-N 3.16Å; Y430-M434 HydrophobicContact CD1-CG 3.88Å; Y430-M434 HydrophobicContact CD1-SD 3.46Å; Y430-M434 WeakPolarHBondContact CD1-SD 3.29Å; Y430-M434 HydrophobicContact CE1-CE 3.87Å; Y430-M434 HydrophobicContact CE1-CG 3.86Å; Y430-M434 HydrophobicContact CE1-SD 3.34Å; Y430-M434 WeakPolarHBondContact CE1-SD 3.31Å; Y430-M434 HydrophobicContact CG-CG 4.44Å; Y430-M434 WeakPolarHBondContact O-CG 3.5Å; Y430-M434 PolarHBondContact O-N 3.41Å; Y430-F443 HydrophobicContact CD1-CD1 4.4Å; Y430-F443 AromaticContact CD1-CD2 3.86Å; Y430-F443 HydrophobicContact CD1-CD2 3.86Å; Y430-F443 HydrophobicContact CD1-CE1 4Å; Y430-F443 AromaticContact CD1-CE2 3.37Å; Y430-F443 HydrophobicContact CD1-CE2 3.37Å; Y430-F443 HydrophobicContact CD1-CG 4.34Å; Y430-F443 AromaticContact CD1-CZ 3.44Å; Y430-F443 HydrophobicContact CD1-CZ 3.44Å; Y430-F443 VanDerWaalsContact CD1-CZ 3.44Å; Y430-F443 AromaticContact CE1-CD2 3.75Å; Y430-F443 HydrophobicContact CE1-CD2 3.75Å; Y430-F443 AromaticContact CE1-CE2 3.63Å; Y430-F443 HydrophobicContact CE1-CE2 3.63Å; Y430-F443 HydrophobicContact CE1-CG 4.36Å; Y430-F443 HydrophobicContact CE1-CZ 4.17Å; Y430-F443 HydrophobicContact CG-CE2 4.47Å; Y430-F443 HydrophobicContact CG-CZ 4.32Å; Y430-F490 HydrophobicContact CE1-CB 4.19Å; Y430-F490 HydrophobicContact CE1-CD1 4.05Å; Y430-F490 HydrophobicContact CE1-CG 4.42Å; Y430-F490 PolarHBondContact OH-O 3.39Å
431	A	95.5	Very high	94.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.9	-33.4	179.6	0	0	0	0	0	114.2	Y368 T427 Y428 M434 K440 F443	Y368-A431 HydrophobicContact CD1-CB 4.44Å; Y368-A431 HydrophobicContact CE1-CB 3.63Å; T427-A431 WeakPolarHBondContact O-CB 3.34Å; T427-A431 PolarHBondContact O-N 3.27Å; Y428-A431 PolarHBondContact O-N 2.81Å; A431-M434 PolarHBondContact O-N 3.42Å; A431-K440 WeakPolarHBondContact O-CE 3.31Å; A431-K440 PolarHBondContact O-NZ 3.47Å; A431-K440 VanDerWaalsContact O-NZ 3.15Å; A431-F443 HydrophobicContact CB-CD1 4.08Å; A431-F443 HydrophobicContact CB-CE1 3.77Å
432	Y	95.3	Very high	94.2	Very high	37 Å²	37	46.2 Å²	46.2	15%	0.145	23%	0.23	C	C	.	.	H	α-helix	trans	-60.9	-44.3	177.4	175	-94.9	0	0	0	111.9	W276 K279 K364 Y368 Y428 P429 Y430	W276-Y432 HydrophobicContact CE3-CD1 4.08Å; W276-Y432 HydrophobicContact CE3-CG 4.32Å; W276-Y432 AromaticContact CZ3-CD1 3.92Å; W276-Y432 HydrophobicContact CZ3-CD1 3.92Å; W276-Y432 HydrophobicContact CZ3-CD2 4.13Å; W276-Y432 HydrophobicContact CZ3-CE1 4.41Å; W276-Y432 AromaticContact CZ3-CG 3.77Å; W276-Y432 HydrophobicContact CZ3-CG 3.77Å; K279-Y432 HydrophobicContact CD-CE1 4.46Å; K279-Y432 WeakPolarHBondContact CE-OH 3.2Å; K364-Y432 HydrophobicContact CD-CE2 4.28Å; K364-Y432 HydrophobicContact CG-CD2 4.14Å; K364-Y432 HydrophobicContact CG-CE2 3.95Å; Y368-Y432 AromaticContact CD2-CD2 3.56Å; Y368-Y432 HydrophobicContact CD2-CD2 3.56Å; Y368-Y432 HydrophobicContact CD2-CG 4.3Å; Y368-Y432 HydrophobicContact CE2-CD2 4.15Å; Y368-Y432 HydrophobicContact CG-CD2 4.01Å; Y368-Y432 HydrophobicContact CG-CG 4.41Å; Y428-Y432 PolarHBondContact O-N 2.74Å; P429-Y432 PolarHBondContact O-N 3.16Å; Y430-Y432 VanDerWaalsContact C-N 3.27Å; Y430-Y432 PolarHBondContact O-N 3.3Å
433	Y	94.9	Very high	94.2	Very high	79 Å²	79	44.3 Å²	44.3	31%	0.31	22%	0.223	S	C	.	.	H	α-helix	trans	-89.8	-9.5	-179.1	-72.5	-69.4	0	0	0	114	T272 K275 W276 P429 Y430 E435	T272-Y433 HydrophobicContact CG2-CD2 3.51Å; T272-Y433 HydrophobicContact CG2-CE2 4.42Å; T272-Y433 HydrophobicContact CG2-CG 3.99Å; K275-Y433 HydrophobicContact CB-CE1 4.43Å; K275-Y433 HydrophobicContact CB-CE2 4.14Å; K275-Y433 PolarHBondContact O-OH 2.97Å; W276-Y433 HydrophobicContact CB-CE2 4.09Å; W276-Y433 HydrophobicContact CE3-CE2 4.07Å; P429-Y433 WeakPolarHBondContact O-CD2 3.4Å; P429-Y433 PolarHBondContact O-N 2.86Å; Y430-Y433 PolarHBondContact O-N 3.13Å; Y430-Y433 VanDerWaalsContact O-N 3.16Å; Y433-E435 PolarHBondContact O-N 2.98Å
434	M	93.4	Very high	94.1	Very high	26 Å²	26	44.8 Å²	44.8	13%	0.128	23%	0.225	C	C	.	.	S	Bend	trans	-64.5	132.6	172.3	-77.4	-177	90.8	0	0	111.8	Y430 A431 R439 K440 F443 F490	Y430-M434 HydrophobicContact CD1-CG 3.88Å; Y430-M434 HydrophobicContact CD1-SD 3.46Å; Y430-M434 WeakPolarHBondContact CD1-SD 3.29Å; Y430-M434 HydrophobicContact CE1-CE 3.87Å; Y430-M434 HydrophobicContact CE1-CG 3.86Å; Y430-M434 HydrophobicContact CE1-SD 3.34Å; Y430-M434 WeakPolarHBondContact CE1-SD 3.31Å; Y430-M434 HydrophobicContact CG-CG 4.44Å; Y430-M434 WeakPolarHBondContact O-CG 3.5Å; Y430-M434 PolarHBondContact O-N 3.41Å; A431-M434 PolarHBondContact O-N 3.42Å; M434-R439 HydrophobicContact CE-CG 4.24Å; M434-K440 HydrophobicContact CB-CB 4.47Å; M434-K440 HydrophobicContact CB-CD 4.06Å; M434-K440 HydrophobicContact CB-CG 4.18Å; M434-K440 HydrophobicContact CE-CB 4.27Å; M434-K440 PolarHBondContact O-NZ 2.95Å; M434-K440 VanDerWaalsContact O-NZ 3.08Å; M434-K440 HydrophobicContact SD-CG 4.48Å; M434-F443 HydrophobicContact CE-CB 3.86Å; M434-F443 HydrophobicContact CE-CG 4.2Å; M434-F443 HydrophobicContact SD-CB 3.84Å; M434-F443 HydrophobicContact SD-CD1 3.76Å; M434-F443 HydrophobicContact SD-CD2 4.17Å; M434-F443 HydrophobicContact SD-CE1 4.41Å; M434-F443 HydrophobicContact SD-CG 3.62Å; M434-F490 HydrophobicContact CE-CD1 4.41Å; M434-F490 HydrophobicContact CE-CE1 4.15Å
435	E	90.8	Very high	93.9	Very high	179 Å²	179	50.4 Å²	50.4	84%	0.836	25%	0.247	S	C	*	.	P	Polyproline II helix	trans	-64	141.6	171.5	-64.9	-177.3	176.7	0	0	111.4	Y433 G437 K440	Y433-E435 PolarHBondContact O-N 2.98Å; E435-G437 PolarHBondContact O-N 3.48Å; E435-K440 WeakPolarHBondContact O-CB 3.36Å
436	S	89.2	Confident	93.8	Very high	79 Å²	79	51.2 Å²	51.2	55%	0.552	25%	0.25	S	S	*	.	S	Bend	trans	-67.6	123	178.5	-66.8	0	0	0	0	110.4	E345	E345-S436 PolarHBondContact OE2-OG 2.53Å
437	G	91	Very high	93.8	Very high	26 Å²	26	50.6 Å²	50.6	27%	0.268	25%	0.248	S	C	.	.	S	Bend	trans	175.9	-177.6	-177.2	0	0	0	0	0	113	E435 R439 K440 K441	E435-G437 PolarHBondContact O-N 3.48Å; G437-R439 VanDerWaalsContact C-N 3.29Å; G437-R439 PolarHBondContact O-N 3.34Å; G437-K440 PolarHBondContact O-N 2.97Å; G437-K441 PolarHBondContact O-N 3.45Å; G437-K441 VanDerWaalsContact O-N 3.13Å
438	P	93.1	Very high	93.6	Very high	115 Å²	115	52.2 Å²	52.2	75%	0.747	26%	0.261	S	S	*	.	H	α-helix	trans	-58.2	-38.3	-179.9	-24.6	34.5	0	0	0	113.3	K440 K441 L442	P438-K440 PolarHBondContact O-N 3.45Å; P438-K441 PolarHBondContact O-N 3.37Å; P438-L442 PolarHBondContact O-N 2.86Å
439	R	93.7	Very high	93.4	Very high	115 Å²	115	54.4 Å²	54.4	43%	0.434	27%	0.272	S	S	.	.	H	α-helix	trans	-63.6	-39.9	178.2	-173	168.2	-179.8	78.6	1.3	112.2	M434 G437 L442 F443 D489 F490 T493	M434-R439 HydrophobicContact CE-CG 4.24Å; G437-R439 VanDerWaalsContact C-N 3.29Å; G437-R439 PolarHBondContact O-N 3.34Å; R439-L442 PolarHBondContact O-N 3.34Å; R439-F443 PolarHBondContact O-N 3.43Å; R439-D489 PolarHBondContact NH2-O 2.87Å; R439-F490 HydrophobicContact CG-CE1 3.86Å; R439-T493 PolarHBondContact NH2-OG1 3.03Å
440	K	93	Very high	93.3	Very high	9 Å²	9	54.4 Å²	54.4	4%	0.039	27%	0.272	C	S	.	.	H	α-helix	trans	-66.7	-40.8	174.6	-175.9	175.3	-173.6	166	0	112.2	A431 M434 E435 G437 P438 L442 F443 E444	A431-K440 WeakPolarHBondContact O-CE 3.31Å; A431-K440 PolarHBondContact O-NZ 3.47Å; A431-K440 VanDerWaalsContact O-NZ 3.15Å; M434-K440 HydrophobicContact CB-CB 4.47Å; M434-K440 HydrophobicContact CB-CD 4.06Å; M434-K440 HydrophobicContact CB-CG 4.18Å; M434-K440 HydrophobicContact CE-CB 4.27Å; M434-K440 PolarHBondContact O-NZ 2.95Å; M434-K440 VanDerWaalsContact O-NZ 3.08Å; M434-K440 HydrophobicContact SD-CG 4.48Å; E435-K440 WeakPolarHBondContact O-CB 3.36Å; G437-K440 PolarHBondContact O-N 2.97Å; P438-K440 PolarHBondContact O-N 3.45Å; K440-L442 VanDerWaalsContact C-N 3.32Å; K440-L442 PolarHBondContact O-N 3.33Å; K440-F443 WeakPolarHBondContact O-CB 3.47Å; K440-F443 PolarHBondContact O-N 3.08Å; K440-E444 WeakPolarHBondContact CE-OE1 3.45Å; K440-E444 HydrophobicContact CG-CG 4.24Å; K440-E444 WeakPolarHBondContact O-CB 3.41Å; K440-E444 WeakPolarHBondContact O-CG 3.5Å; K440-E444 PolarHBondContact O-N 3.06Å
441	K	92.3	Very high	93.3	Very high	135 Å²	135	54 Å²	54	59%	0.587	27%	0.27	S	S	*	.	H	α-helix	trans	-60.5	-42.2	175.6	-67.1	179.5	-177.9	-178.9	0	112	G437 P438 Y445	G437-K441 PolarHBondContact O-N 3.45Å; G437-K441 VanDerWaalsContact O-N 3.13Å; P438-K441 PolarHBondContact O-N 3.37Å; K441-Y445 WeakPolarHBondContact O-CB 3.47Å; K441-Y445 PolarHBondContact O-N 2.92Å
442	L	93.6	Very high	93.2	Very high	81 Å²	81	55 Å²	55	42%	0.424	28%	0.279	S	S	.	.	H	α-helix	trans	-63.5	-43.7	174.4	179.4	61.9	0	0	0	111.5	P438 R439 K440 Y445 Q446 F490	P438-L442 PolarHBondContact O-N 2.86Å; R439-L442 PolarHBondContact O-N 3.34Å; K440-L442 VanDerWaalsContact C-N 3.32Å; K440-L442 PolarHBondContact O-N 3.33Å; L442-Y445 PolarHBondContact O-N 2.96Å; L442-Q446 HydrophobicContact CD1-CG 4.46Å; L442-Q446 WeakPolarHBondContact O-CG 3.24Å; L442-Q446 PolarHBondContact O-N 3.37Å; L442-F490 HydrophobicContact CB-CZ 4.49Å; L442-F490 HydrophobicContact CD2-CZ 4.41Å; L442-F490 HydrophobicContact CG-CZ 4.22Å
443	F	94.8	Very high	93.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58.8	-51.9	175.9	-178	-93.3	0	0	0	111.9	P267 T427 Y430 A431 M434 R439 K440 Y445 Q446 Q447 L486 F490	P267-F443 HydrophobicContact CG-CE2 4.22Å; P267-F443 HydrophobicContact CG-CZ 4.28Å; T427-F443 HydrophobicContact CG2-CZ 4.03Å; Y430-F443 HydrophobicContact CD1-CD1 4.4Å; Y430-F443 AromaticContact CD1-CD2 3.86Å; Y430-F443 HydrophobicContact CD1-CD2 3.86Å; Y430-F443 HydrophobicContact CD1-CE1 4Å; Y430-F443 AromaticContact CD1-CE2 3.37Å; Y430-F443 HydrophobicContact CD1-CE2 3.37Å; Y430-F443 HydrophobicContact CD1-CG 4.34Å; Y430-F443 AromaticContact CD1-CZ 3.44Å; Y430-F443 HydrophobicContact CD1-CZ 3.44Å; Y430-F443 VanDerWaalsContact CD1-CZ 3.44Å; Y430-F443 AromaticContact CE1-CD2 3.75Å; Y430-F443 HydrophobicContact CE1-CD2 3.75Å; Y430-F443 AromaticContact CE1-CE2 3.63Å; Y430-F443 HydrophobicContact CE1-CE2 3.63Å; Y430-F443 HydrophobicContact CE1-CG 4.36Å; Y430-F443 HydrophobicContact CE1-CZ 4.17Å; Y430-F443 HydrophobicContact CG-CE2 4.47Å; Y430-F443 HydrophobicContact CG-CZ 4.32Å; A431-F443 HydrophobicContact CB-CD1 4.08Å; A431-F443 HydrophobicContact CB-CE1 3.77Å; M434-F443 HydrophobicContact CE-CB 3.86Å; M434-F443 HydrophobicContact CE-CG 4.2Å; M434-F443 HydrophobicContact SD-CB 3.84Å; M434-F443 HydrophobicContact SD-CD1 3.76Å; M434-F443 HydrophobicContact SD-CD2 4.17Å; M434-F443 HydrophobicContact SD-CE1 4.41Å; M434-F443 HydrophobicContact SD-CG 3.62Å; R439-F443 PolarHBondContact O-N 3.43Å; K440-F443 WeakPolarHBondContact O-CB 3.47Å; K440-F443 PolarHBondContact O-N 3.08Å; F443-Y445 VanDerWaalsContact C-N 3.26Å; F443-Y445 PolarHBondContact O-N 3.38Å; F443-Q446 PolarHBondContact O-N 2.8Å; F443-Q446 VanDerWaalsContact O-N 3.16Å; F443-Q447 HydrophobicContact CD1-CB 4.48Å; F443-Q447 HydrophobicContact CE1-CB 4.21Å; F443-Q447 HydrophobicContact CE1-CG 4.46Å; F443-Q447 VanDerWaalsContact O-CB 3.28Å; F443-Q447 WeakPolarHBondContact O-CB 3.45Å; F443-Q447 PolarHBondContact O-N 2.85Å; F443-L486 HydrophobicContact CE2-CD1 4.4Å; F443-L486 HydrophobicContact CE2-CD2 4.1Å; F443-L486 HydrophobicContact CE2-CG 4.32Å; F443-F490 HydrophobicContact CB-CD1 4.35Å; F443-F490 HydrophobicContact CB-CE1 3.69Å; F443-F490 HydrophobicContact CB-CE2 4.16Å; F443-F490 HydrophobicContact CB-CZ 3.58Å; F443-F490 HydrophobicContact CD2-CB 4.21Å; F443-F490 AromaticContact CD2-CD1 3.66Å; F443-F490 HydrophobicContact CD2-CD1 3.66Å; F443-F490 AromaticContact CD2-CD2 3.64Å; F443-F490 HydrophobicContact CD2-CD2 3.64Å; F443-F490 AromaticContact CD2-CE1 3.84Å; F443-F490 HydrophobicContact CD2-CE1 3.84Å; F443-F490 AromaticContact CD2-CE2 3.83Å; F443-F490 HydrophobicContact CD2-CE2 3.83Å; F443-F490 AromaticContact CD2-CG 3.56Å; F443-F490 HydrophobicContact CD2-CG 3.56Å; F443-F490 AromaticContact CD2-CZ 3.94Å; F443-F490 HydrophobicContact CD2-CZ 3.94Å; F443-F490 HydrophobicContact CE2-CB 4.28Å; F443-F490 HydrophobicContact CE2-CD1 4.48Å; F443-F490 HydrophobicContact CE2-CD2 4.27Å; F443-F490 HydrophobicContact CE2-CG 4.1Å; F443-F490 HydrophobicContact CG-CD1 4.45Å; F443-F490 HydrophobicContact CG-CE1 4.25Å; F443-F490 HydrophobicContact CG-CE2 4.5Å; F443-F490 HydrophobicContact CG-CZ 4.29Å
444	E	93.8	Very high	93.2	Very high	13 Å²	13	51.4 Å²	51.4	6%	0.061	27%	0.267	C	S	.	.	H	α-helix	trans	-60.7	-36.3	-179.4	-71.6	174.8	160.2	0	0	111.6	R342 K440 A448	R342-E444 WeakPolarHBondContact CD-OE2 3.45Å; R342-E444 WeakPolarHBondContact CG-OE2 3.41Å; R342-E444 IonicContact CZ-OE2 2.95Å; R342-E444 IonicContact NE-OE2 2.65Å; R342-E444 PolarHBondContact NE-OE2 2.92Å; K440-E444 WeakPolarHBondContact CE-OE1 3.45Å; K440-E444 HydrophobicContact CG-CG 4.24Å; K440-E444 WeakPolarHBondContact O-CB 3.41Å; K440-E444 WeakPolarHBondContact O-CG 3.5Å; K440-E444 PolarHBondContact O-N 3.06Å; E444-A448 WeakPolarHBondContact O-CB 3.44Å; E444-A448 PolarHBondContact O-N 3.33Å
445	Y	92.1	Very high	93.3	Very high	118 Å²	118	50.4 Å²	50.4	46%	0.463	26%	0.262	S	S	.	.	H	α-helix	trans	-63.4	-50.4	173.1	174.6	-101.8	0	0	0	112	K441 L442 F443 Q447 A448 Q449	K441-Y445 WeakPolarHBondContact O-CB 3.47Å; K441-Y445 PolarHBondContact O-N 2.92Å; L442-Y445 PolarHBondContact O-N 2.96Å; F443-Y445 VanDerWaalsContact C-N 3.26Å; F443-Y445 PolarHBondContact O-N 3.38Å; Y445-Q447 VanDerWaalsContact C-N 3.34Å; Y445-Q447 PolarHBondContact O-N 3.49Å; Y445-A448 PolarHBondContact O-N 3.4Å; Y445-Q449 HydrophobicContact CE1-CG 4.47Å; Y445-Q449 WeakPolarHBondContact O-CG 3.45Å; Y445-Q449 PolarHBondContact O-N 3.15Å; Y445-Q449 PolarHBondContact OH-NE2 2.96Å
446	Q	93.8	Very high	93.4	Very high	20 Å²	20	44.7 Å²	44.7	9%	0.093	24%	0.236	C	C	.	.	H	α-helix	trans	-65.9	-37	178.3	-69	-174.1	7	0	0	112.5	L442 F443 Q449 L450 L486 D489	L442-Q446 HydrophobicContact CD1-CG 4.46Å; L442-Q446 WeakPolarHBondContact O-CG 3.24Å; L442-Q446 PolarHBondContact O-N 3.37Å; F443-Q446 PolarHBondContact O-N 2.8Å; F443-Q446 VanDerWaalsContact O-N 3.16Å; Q446-Q449 PolarHBondContact O-N 2.96Å; Q446-L450 WeakPolarHBondContact O-CB 3.38Å; Q446-L450 PolarHBondContact O-N 3.15Å; Q446-L486 HydrophobicContact CB-CD1 4.27Å; Q446-D489 PolarHBondContact NE2-OD2 3.22Å
447	Q	94.9	Very high	93.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.4	-47	174.3	-177.6	-173.2	34.3	0	0	110.9	L424 T427 F443 Y445 Q449 L450 E451 L486	L424-Q447 HydrophobicContact CD1-CG 4.17Å; T427-Q447 PolarHBondContact OG1-NE2 2.92Å; F443-Q447 HydrophobicContact CD1-CB 4.48Å; F443-Q447 HydrophobicContact CE1-CB 4.21Å; F443-Q447 HydrophobicContact CE1-CG 4.46Å; F443-Q447 VanDerWaalsContact O-CB 3.28Å; F443-Q447 WeakPolarHBondContact O-CB 3.45Å; F443-Q447 PolarHBondContact O-N 2.85Å; Y445-Q447 VanDerWaalsContact C-N 3.34Å; Y445-Q447 PolarHBondContact O-N 3.49Å; Q447-Q449 VanDerWaalsContact C-N 3.35Å; Q447-Q449 PolarHBondContact O-N 3.15Å; Q447-L450 PolarHBondContact O-N 3.45Å; Q447-E451 WeakPolarHBondContact O-CB 3.3Å; Q447-E451 PolarHBondContact O-N 3.22Å; Q447-L486 HydrophobicContact CB-CD1 4.39Å
448	A	92.6	Very high	93.9	Very high	33 Å²	33	39.7 Å²	39.7	27%	0.273	20%	0.197	S	C	.	.	H	α-helix	trans	-62.9	-40.6	177.8	0	0	0	0	0	112.2	E444 Y445 E451 A452	E444-A448 WeakPolarHBondContact O-CB 3.44Å; E444-A448 PolarHBondContact O-N 3.33Å; Y445-A448 PolarHBondContact O-N 3.4Å; A448-E451 PolarHBondContact O-N 2.89Å; A448-A452 PolarHBondContact O-N 2.91Å
449	Q	92.4	Very high	93.9	Very high	47 Å²	47	35.7 Å²	35.7	22%	0.22	17%	0.167	C	C	.	.	H	α-helix	trans	-62.7	-48.5	174.3	-71.2	-171.8	-35.9	0	0	111.7	Y445 Q446 Q447 E451 A452 E453	Y445-Q449 HydrophobicContact CE1-CG 4.47Å; Y445-Q449 WeakPolarHBondContact O-CG 3.45Å; Y445-Q449 PolarHBondContact O-N 3.15Å; Y445-Q449 PolarHBondContact OH-NE2 2.96Å; Q446-Q449 PolarHBondContact O-N 2.96Å; Q447-Q449 VanDerWaalsContact C-N 3.35Å; Q447-Q449 PolarHBondContact O-N 3.15Å; Q449-E451 VanDerWaalsContact C-N 3.33Å; Q449-E451 PolarHBondContact O-N 3.36Å; Q449-A452 PolarHBondContact O-N 3.24Å; Q449-E453 WeakPolarHBondContact O-CG 3.28Å; Q449-E453 PolarHBondContact O-N 3.4Å; Q449-E453 VanDerWaalsContact O-N 3.15Å
450	L	94.4	Very high	94	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.5	-44.8	178	175.7	58.7	0	0	0	111.5	Q446 Q447 A452 E453 I454 R482 R483 L486	Q446-L450 WeakPolarHBondContact O-CB 3.38Å; Q446-L450 PolarHBondContact O-N 3.15Å; Q447-L450 PolarHBondContact O-N 3.45Å; L450-A452 PolarHBondContact O-N 3.16Å; L450-E453 PolarHBondContact O-N 3.34Å; L450-I454 HydrophobicContact CD1-CD1 3.7Å; L450-I454 HydrophobicContact CD1-CG1 4.03Å; L450-I454 HydrophobicContact CD2-CD1 4.37Å; L450-I454 HydrophobicContact CG-CD1 3.66Å; L450-I454 HydrophobicContact CG-CG1 4.41Å; L450-I454 WeakPolarHBondContact O-CB 3.07Å; L450-I454 VanDerWaalsContact O-CG1 3.27Å; L450-I454 WeakPolarHBondContact O-CG1 3.29Å; L450-I454 PolarHBondContact O-N 2.88Å; L450-R482 HydrophobicContact CB-CB 4.33Å; L450-R482 HydrophobicContact CD1-CB 3.96Å; L450-R483 HydrophobicContact CD1-CB 3.85Å; L450-R483 HydrophobicContact CD1-CG 4.48Å; L450-R483 HydrophobicContact CD2-CB 4.45Å; L450-R483 HydrophobicContact CD2-CG 4.42Å; L450-L486 HydrophobicContact CD2-CD1 4.02Å
451	E	94.8	Very high	94	Very high	21 Å²	21	31.5 Å²	31.5	10%	0.098	15%	0.153	C	C	.	.	H	α-helix	trans	-60.4	-45.4	178.1	-176.1	164.2	-130.6	0	0	112	S341 H375 L424 Y428 Q447 A448 Q449 E453 I454 E455	S341-E451 WeakPolarHBondContact CB-OE2 3.47Å; H375-E451 IonicContact CE1-OE1 3.94Å; H375-E451 PolarHBondContact CE1-OE1 3.42Å; H375-E451 IonicContact NE2-OE1 3.86Å; H375-E451 PolarHBondContact NE2-OE1 2.84Å; L424-E451 HydrophobicContact CD1-CB 3.94Å; L424-E451 HydrophobicContact CD2-CB 3.89Å; L424-E451 HydrophobicContact CD2-CG 3.8Å; Y428-E451 PolarHBondContact OH-OE1 3.28Å; Y428-E451 PolarHBondContact OH-OE2 3.41Å; Q447-E451 WeakPolarHBondContact O-CB 3.3Å; Q447-E451 PolarHBondContact O-N 3.22Å; A448-E451 PolarHBondContact O-N 2.89Å; Q449-E451 VanDerWaalsContact C-N 3.33Å; Q449-E451 PolarHBondContact O-N 3.36Å; E451-E453 VanDerWaalsContact C-N 3.33Å; E451-E453 PolarHBondContact O-N 2.91Å; E451-I454 PolarHBondContact O-N 3.04Å; E451-E455 WeakPolarHBondContact O-CG 3.18Å; E451-E455 PolarHBondContact O-N 3.35Å
452	A	92.8	Very high	93.9	Very high	22 Å²	22	27.4 Å²	27.4	18%	0.182	14%	0.136	C	C	.	.	H	α-helix	trans	-57.9	-45.1	176.9	0	0	0	0	0	112.1	A448 Q449 L450 E455 N456	A448-A452 PolarHBondContact O-N 2.91Å; Q449-A452 PolarHBondContact O-N 3.24Å; L450-A452 PolarHBondContact O-N 3.16Å; A452-E455 PolarHBondContact O-N 3.44Å; A452-N456 VanDerWaalsContact O-CG 3.27Å; A452-N456 PolarHBondContact O-N 3.34Å; A452-N456 PolarHBondContact O-ND2 3.25Å
453	E	94.8	Very high	93.8	Very high	41 Å²	41	27.2 Å²	27.2	19%	0.192	13%	0.13	C	C	.	.	H	α-helix	trans	-71.3	-31.5	-179.7	-58.5	-56.4	165.7	0	0	113.4	Q449 L450 E451 L457 Q475 I478 A479 R482	Q449-E453 WeakPolarHBondContact O-CG 3.28Å; Q449-E453 PolarHBondContact O-N 3.4Å; Q449-E453 VanDerWaalsContact O-N 3.15Å; L450-E453 PolarHBondContact O-N 3.34Å; E451-E453 VanDerWaalsContact C-N 3.33Å; E451-E453 PolarHBondContact O-N 2.91Å; E453-L457 WeakPolarHBondContact O-CB 3.37Å; E453-L457 PolarHBondContact O-N 3Å; E453-Q475 PolarHBondContact O-NE2 3.34Å; E453-Q475 VanDerWaalsContact O-NE2 3.16Å; E453-Q475 PolarHBondContact OE2-NE2 2.86Å; E453-I478 HydrophobicContact CB-CG2 4.4Å; E453-I478 HydrophobicContact CG-CG2 3.74Å; E453-A479 HydrophobicContact CB-CB 4.32Å; E453-R482 HydrophobicContact CG-CG 4.1Å
454	I	95.6	Very high	93.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.2	-45.1	172.3	-74.4	167.2	0	0	0	110.6	L417 C420 R421 L424 L450 E451 L457 S458	L417-I454 HydrophobicContact CD1-CG2 4.03Å; C420-I454 HydrophobicContact CB-CD1 3.69Å; C420-I454 HydrophobicContact CB-CG1 3.58Å; C420-I454 WeakPolarHBondContact O-CD1 3.4Å; R421-I454 HydrophobicContact CB-CG2 4.43Å; L424-I454 HydrophobicContact CB-CD1 3.67Å; L424-I454 HydrophobicContact CD2-CD1 3.8Å; L424-I454 HydrophobicContact CG-CD1 4.24Å; L450-I454 HydrophobicContact CD1-CD1 3.7Å; L450-I454 HydrophobicContact CD1-CG1 4.03Å; L450-I454 HydrophobicContact CD2-CD1 4.37Å; L450-I454 HydrophobicContact CG-CD1 3.66Å; L450-I454 HydrophobicContact CG-CG1 4.41Å; L450-I454 WeakPolarHBondContact O-CB 3.07Å; L450-I454 VanDerWaalsContact O-CG1 3.27Å; L450-I454 WeakPolarHBondContact O-CG1 3.29Å; L450-I454 PolarHBondContact O-N 2.88Å; E451-I454 PolarHBondContact O-N 3.04Å; I454-L457 PolarHBondContact O-N 3.44Å; I454-S458 WeakPolarHBondContact O-CB 3.26Å; I454-S458 PolarHBondContact O-N 2.87Å
455	E	94.9	Very high	92.7	Very high	5 Å²	5	32.4 Å²	32.4	2%	0.023	16%	0.16	C	C	.	.	H	α-helix	trans	-69.3	-35.8	-179.9	-61.7	-52.7	156.1	0	0	111.9	C310 N311 W330 H375 R421 E451 A452 S458 W459	C310-E455 WeakPolarHBondContact CA-OE2 3.42Å; C310-E455 PolarHBondContact SG-O 2.75Å; N311-E455 HydrophobicContact CB-CG 4.37Å; N311-E455 PolarHBondContact N-OE2 2.89Å; N311-E455 PolarHBondContact ND2-OE1 2.78Å; W330-E455 HydrophobicContact CH2-CB 3.68Å; W330-E455 HydrophobicContact CH2-CG 4.1Å; W330-E455 HydrophobicContact CZ2-CB 4.01Å; H375-E455 IonicContact CE1-OE1 2.84Å; R421-E455 IonicContact CZ-OE1 2.71Å; R421-E455 IonicContact NH1-OE1 3.7Å; R421-E455 PolarHBondContact NH1-OE1 3.33Å; R421-E455 IonicContact NH1-OE2 2.72Å; R421-E455 IonicContact NH2-OE1 2.89Å; R421-E455 IonicContact NH2-OE2 3.12Å; E451-E455 WeakPolarHBondContact O-CG 3.18Å; E451-E455 PolarHBondContact O-N 3.35Å; A452-E455 PolarHBondContact O-N 3.44Å; E455-S458 PolarHBondContact O-N 2.99Å; E455-W459 WeakPolarHBondContact O-CB 3.47Å; E455-W459 PolarHBondContact O-N 3.25Å
456	N	93.8	Very high	92.2	Very high	58 Å²	58	31.4 Å²	31.4	31%	0.31	17%	0.171	S	C	.	.	H	α-helix	trans	-61.6	-43.4	170.5	-72.7	-22.8	0	0	0	112	A452 K460 Q475	A452-N456 VanDerWaalsContact O-CG 3.27Å; A452-N456 PolarHBondContact O-N 3.34Å; A452-N456 PolarHBondContact O-ND2 3.25Å; N456-K460 WeakPolarHBondContact O-CG 3.43Å; N456-K460 PolarHBondContact O-N 3Å; N456-K460 VanDerWaalsContact O-N 3.15Å; N456-Q475 HydrophobicContact CB-CG 4.47Å
457	L	95.8	Very high	91.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.7	-46	175.6	-177.9	58.9	0	0	0	111.3	L417 E453 I454 W459 K460 V461 L472 Q475 M476 A479	L417-L457 HydrophobicContact CB-CD2 3.98Å; L417-L457 HydrophobicContact CB-CG 4.26Å; L417-L457 HydrophobicContact CD1-CB 4.32Å; L417-L457 HydrophobicContact CD1-CD2 4.29Å; L417-L457 HydrophobicContact CD1-CG 4.22Å; E453-L457 WeakPolarHBondContact O-CB 3.37Å; E453-L457 PolarHBondContact O-N 3Å; I454-L457 PolarHBondContact O-N 3.44Å; L457-W459 VanDerWaalsContact C-N 3.31Å; L457-W459 PolarHBondContact O-N 3.26Å; L457-K460 PolarHBondContact O-N 3.49Å; L457-V461 HydrophobicContact CD1-CG2 4.06Å; L457-V461 HydrophobicContact CG-CG2 4.3Å; L457-V461 VanDerWaalsContact O-CG2 3.3Å; L457-V461 WeakPolarHBondContact O-CG2 3.35Å; L457-V461 PolarHBondContact O-N 2.93Å; L457-L472 HydrophobicContact CD1-CD1 3.72Å; L457-Q475 HydrophobicContact CB-CG 3.82Å; L457-Q475 HydrophobicContact CD1-CB 4.22Å; L457-Q475 HydrophobicContact CD1-CG 3.97Å; L457-Q475 HydrophobicContact CG-CG 4.49Å; L457-M476 HydrophobicContact CD1-CG 3.79Å; L457-A479 HydrophobicContact CD2-CB 4.08Å
458	S	95.6	Very high	91.2	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57.4	-45.5	177.9	-164.8	0	0	0	0	111.3	C310 E382 R421 I454 E455 K460 V461 E462	C310-S458 WeakPolarHBondContact CA-OG 3.47Å; C310-S458 WeakPolarHBondContact CB-OG 3.3Å; C310-S458 PolarHBondContact N-OG 3.44Å; E382-S458 PolarHBondContact OE1-OG 3.49Å; R421-S458 PolarHBondContact NH2-OG 2.84Å; I454-S458 WeakPolarHBondContact O-CB 3.26Å; I454-S458 PolarHBondContact O-N 2.87Å; E455-S458 PolarHBondContact O-N 2.99Å; S458-K460 PolarHBondContact O-N 3.33Å; S458-V461 PolarHBondContact O-N 2.88Å; S458-E462 WeakPolarHBondContact O-CG 3.45Å; S458-E462 PolarHBondContact O-N 3.05Å
459	W	93.4	Very high	91	Very high	31 Å²	31	43 Å²	43	12%	0.117	22%	0.215	C	C	.	.	H	α-helix	trans	-58.8	-46.6	176.4	178.2	-91	0	0	0	112.9	H312 Q314 E455 L457 R463 Y467	H312-W459 HydrophobicContact CB-CE3 3.89Å; H312-W459 HydrophobicContact CB-CZ3 4.3Å; H312-W459 AromaticContact CE1-CD2 3.89Å; H312-W459 AromaticContact CE1-CE2 3.99Å; H312-W459 AromaticContact CE1-CE3 3.73Å; H312-W459 AromaticContact CE1-CH2 3.71Å; H312-W459 AromaticContact CE1-CZ2 3.92Å; H312-W459 AromaticContact CE1-CZ3 3.62Å; H312-W459 AromaticContact CG-CE3 3.61Å; H312-W459 AromaticContact CG-CZ3 3.75Å; H312-W459 AromaticContact ND1-CD2 3.36Å; H312-W459 AromaticContact ND1-CE2 3.93Å; H312-W459 AromaticContact ND1-CE3 3.1Å; H312-W459 AromaticContact ND1-CG 3.95Å; H312-W459 AromaticContact ND1-CH2 3.95Å; H312-W459 AromaticContact ND1-CZ3 3.41Å; H312-W459 WeakPolarHBondContact ND1-CZ3 3.49Å; H312-W459 WeakPolarHBondContact O-CZ3 3.36Å; Q314-W459 HydrophobicContact CB-CH2 4.35Å; E455-W459 WeakPolarHBondContact O-CB 3.47Å; E455-W459 PolarHBondContact O-N 3.25Å; L457-W459 VanDerWaalsContact C-N 3.31Å; L457-W459 PolarHBondContact O-N 3.26Å; W459-R463 VanDerWaalsContact CH2-CZ 3.5Å; W459-R463 VanDerWaalsContact CZ3-CZ 3.4Å; W459-R463 VanDerWaalsContact CZ3-NH2 3.31Å; W459-R463 PolarHBondContact O-N 3.35Å; W459-Y467 PolarHBondContact NE1-OH 2.96Å; W459-Y467 VanDerWaalsContact NE1-OH 3.07Å
460	K	94.6	Very high	90.9	Very high	29 Å²	29	42.7 Å²	42.7	13%	0.126	22%	0.223	C	C	.	.	H	α-helix	trans	-66.1	-42.3	178.6	-72.9	179.4	175.5	176.4	0	111.6	N456 L457 S458 R463 A464 Y467 D471 L472 Q475	N456-K460 WeakPolarHBondContact O-CG 3.43Å; N456-K460 PolarHBondContact O-N 3Å; N456-K460 VanDerWaalsContact O-N 3.15Å; L457-K460 PolarHBondContact O-N 3.49Å; S458-K460 PolarHBondContact O-N 3.33Å; K460-R463 CarbonylContact O-C 3.58Å; K460-R463 PolarHBondContact O-N 3.43Å; K460-R463 VanDerWaalsContact O-N 3.15Å; K460-A464 WeakPolarHBondContact O-CA 3.49Å; K460-A464 PolarHBondContact O-N 2.92Å; K460-Y467 HydrophobicContact CB-CD2 4.28Å; K460-Y467 HydrophobicContact CB-CE2 4.48Å; K460-Y467 HydrophobicContact CG-CD1 4.21Å; K460-Y467 HydrophobicContact CG-CD2 4.12Å; K460-Y467 HydrophobicContact CG-CE1 4.16Å; K460-Y467 HydrophobicContact CG-CE2 4.07Å; K460-Y467 HydrophobicContact CG-CG 4.2Å; K460-D471 PolarHBondContact NZ-O 3.07Å; K460-L472 HydrophobicContact CB-CD1 3.89Å; K460-Q475 HydrophobicContact CD-CB 3.92Å; K460-Q475 HydrophobicContact CD-CG 4.05Å
461	V	93.9	Very high	90.7	Very high	7 Å²	7	46 Å²	46	4%	0.042	24%	0.241	C	C	.	.	H	α-helix	trans	-63.5	-43.7	178.2	171	0	0	0	0	111.4	T385 I389 A413 A414 L417 L457 S458 R463 A464 L472	T385-V461 HydrophobicContact CG2-CG1 4.32Å; I389-V461 HydrophobicContact CD1-CG1 3.65Å; A413-V461 HydrophobicContact CB-CG2 3.87Å; A414-V461 HydrophobicContact CB-CG1 4.27Å; L417-V461 HydrophobicContact CD2-CB 4.15Å; L417-V461 HydrophobicContact CD2-CG1 4.26Å; L417-V461 HydrophobicContact CD2-CG2 4.25Å; L457-V461 HydrophobicContact CD1-CG2 4.06Å; L457-V461 HydrophobicContact CG-CG2 4.3Å; L457-V461 VanDerWaalsContact O-CG2 3.3Å; L457-V461 WeakPolarHBondContact O-CG2 3.35Å; L457-V461 PolarHBondContact O-N 2.93Å; S458-V461 PolarHBondContact O-N 2.88Å; V461-R463 PolarHBondContact O-N 2.96Å; V461-A464 PolarHBondContact O-N 3.27Å; V461-L472 HydrophobicContact CG2-CD1 4Å
462	E	90.6	Very high	90.6	Very high	49 Å²	49	45.2 Å²	45.2	23%	0.229	24%	0.238	C	C	.	.	H	α-helix	trans	-65.1	-20.4	176.4	-73.8	-178.2	179.5	0	0	113.2	G308 G309 C310 S458	G308-E462 VanDerWaalsContact CA-OE1 3.24Å; G308-E462 WeakPolarHBondContact CA-OE1 3.41Å; G309-E462 PolarHBondContact N-OE1 3.22Å; C310-E462 PolarHBondContact N-OE1 3.15Å; C310-E462 VanDerWaalsContact N-OE1 3.08Å; S458-E462 WeakPolarHBondContact O-CG 3.45Å; S458-E462 PolarHBondContact O-N 3.05Å
463	R	89.7	Confident	90.7	Very high	77 Å²	77	47.9 Å²	47.9	29%	0.291	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	35.4	-178.1	-67.9	166.5	-178.3	70.1	1	111.9	W459 K460 V461 D465 S466 Y467	W459-R463 VanDerWaalsContact CH2-CZ 3.5Å; W459-R463 VanDerWaalsContact CZ3-CZ 3.4Å; W459-R463 VanDerWaalsContact CZ3-NH2 3.31Å; W459-R463 PolarHBondContact O-N 3.35Å; K460-R463 CarbonylContact O-C 3.58Å; K460-R463 PolarHBondContact O-N 3.43Å; K460-R463 VanDerWaalsContact O-N 3.15Å; V461-R463 PolarHBondContact O-N 2.96Å; R463-D465 PolarHBondContact O-N 2.93Å; R463-S466 WeakPolarHBondContact O-CB 3.37Å; R463-S466 PolarHBondContact O-N 3.05Å; R463-Y467 HydrophobicContact CB-CD2 4.41Å; R463-Y467 HydrophobicContact CB-CE2 4.13Å; R463-Y467 WeakPolarHBondContact O-CD2 3.47Å
464	A	84.3	Confident	90.6	Very high	19 Å²	19	50.2 Å²	50.2	16%	0.157	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-53.6	-31.3	-174.5	0	0	0	0	0	113.7	L410 K460 V461 S466 Y467	L410-A464 HydrophobicContact CD2-CB 3.6Å; K460-A464 WeakPolarHBondContact O-CA 3.49Å; K460-A464 PolarHBondContact O-N 2.92Å; V461-A464 PolarHBondContact O-N 3.27Å; A464-S466 PolarHBondContact O-N 3.19Å; A464-Y467 PolarHBondContact O-N 3.39Å
465	D	82.3	Confident	90.6	Very high	103 Å²	103	50.8 Å²	50.8	55%	0.551	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-66.5	-13.3	177.5	-62.6	-54.4	0	0	0	113.6	K392 R396 R463	K392-D465 IonicContact NZ-OD2 3.4Å; K392-D465 PolarHBondContact NZ-OD2 2.83Å; R396-D465 IonicContact NH2-OD1 2.94Å; R396-D465 PolarHBondContact NH2-OD1 3.31Å; R463-D465 PolarHBondContact O-N 2.93Å
466	S	81.4	Confident	90.7	Very high	98 Å²	98	51.9 Å²	51.9	69%	0.685	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-105.3	-4.6	-176.3	-55.5	0	0	0	0	114.6	R463 A464	R463-S466 WeakPolarHBondContact O-CB 3.37Å; R463-S466 PolarHBondContact O-N 3.05Å; A464-S466 PolarHBondContact O-N 3.19Å
467	Y	80.5	Confident	90.8	Very high	82 Å²	82	54.9 Å²	54.9	32%	0.322	28%	0.28	S	S	.	.	S	Bend	trans	-122.2	149.5	-176.9	-70.1	-84.6	0	0	0	110.5	W459 K460 R463 A464	W459-Y467 PolarHBondContact NE1-OH 2.96Å; W459-Y467 VanDerWaalsContact NE1-OH 3.07Å; K460-Y467 HydrophobicContact CB-CD2 4.28Å; K460-Y467 HydrophobicContact CB-CE2 4.48Å; K460-Y467 HydrophobicContact CG-CD1 4.21Å; K460-Y467 HydrophobicContact CG-CD2 4.12Å; K460-Y467 HydrophobicContact CG-CE1 4.16Å; K460-Y467 HydrophobicContact CG-CE2 4.07Å; K460-Y467 HydrophobicContact CG-CG 4.2Å; R463-Y467 HydrophobicContact CB-CD2 4.41Å; R463-Y467 HydrophobicContact CB-CE2 4.13Å; R463-Y467 WeakPolarHBondContact O-CD2 3.47Å; A464-Y467 PolarHBondContact O-N 3.39Å
468	D	86.2	Confident	90.7	Very high	97 Å²	97	56.8 Å²	56.8	52%	0.519	29%	0.29	S	S	.	.			trans	-74.9	162.4	170.9	76.4	36	0	0	0	111.2	G470 D471 L472	D468-G470 VanDerWaalsContact C-N 3.31Å; D468-G470 PolarHBondContact O-N 3.1Å; D468-G470 WeakPolarHBondContact OD1-CA 3.4Å; D468-G470 PolarHBondContact OD1-N 3.33Å; D468-D471 WeakPolarHBondContact OD1-CB 3.43Å; D468-D471 PolarHBondContact OD1-N 3.43Å; D468-L472 PolarHBondContact O-N 3.32Å
469	R	89.3	Confident	90.8	Very high	118 Å²	118	56.8 Å²	56.8	45%	0.445	29%	0.29	S	S	.	.	H	α-helix	trans	-61.5	-39.1	-179.5	176.6	174.9	172.5	172.6	-0.1	112.2	Y409 L472 E473	Y409-R469 HydrophobicContact CD1-CG 4.32Å; Y409-R469 HydrophobicContact CD2-CG 3.94Å; Y409-R469 HydrophobicContact CE1-CG 4.41Å; Y409-R469 HydrophobicContact CE2-CB 4.2Å; Y409-R469 HydrophobicContact CE2-CG 4.03Å; Y409-R469 HydrophobicContact CG-CG 4.1Å; R469-L472 PolarHBondContact O-N 2.73Å; R469-E473 HydrophobicContact CG-CG 4.26Å; R469-E473 IonicContact CZ-OE1 3.05Å; R469-E473 IonicContact NE-OE1 3.06Å; R469-E473 PolarHBondContact NE-OE1 3.05Å; R469-E473 IonicContact NE-OE2 3.37Å; R469-E473 IonicContact NH2-OE1 2.77Å; R469-E473 PolarHBondContact NH2-OE1 2.77Å; R469-E473 WeakPolarHBondContact O-CG 3.43Å; R469-E473 PolarHBondContact O-N 2.96Å
470	G	90.5	Very high	90.9	Very high	39 Å²	39	56.3 Å²	56.3	40%	0.402	29%	0.289	S	S	.	.	H	α-helix	trans	-67	-40	-176.2	0	0	0	0	0	112.6	D468 L472 E473 N474	D468-G470 VanDerWaalsContact C-N 3.31Å; D468-G470 PolarHBondContact O-N 3.1Å; D468-G470 WeakPolarHBondContact OD1-CA 3.4Å; D468-G470 PolarHBondContact OD1-N 3.33Å; G470-L472 VanDerWaalsContact C-N 3.31Å; G470-L472 PolarHBondContact O-N 3.43Å; G470-E473 PolarHBondContact O-N 3.44Å; G470-N474 VanDerWaalsContact O-CB 3.26Å; G470-N474 WeakPolarHBondContact O-CB 3.38Å; G470-N474 PolarHBondContact O-N 3.19Å
471	D	90.5	Very high	90.9	Very high	71 Å²	71	59.9 Å²	59.9	38%	0.38	31%	0.306	S	S	.	.	H	α-helix	trans	-63.5	-35.7	176.1	-85.1	-18.8	0	0	0	112.5	K460 D468 Q475	K460-D471 PolarHBondContact NZ-O 3.07Å; D468-D471 WeakPolarHBondContact OD1-CB 3.43Å; D468-D471 PolarHBondContact OD1-N 3.43Å; D471-Q475 WeakPolarHBondContact O-CB 3.34Å; D471-Q475 PolarHBondContact O-N 2.96Å
472	L	92.7	Very high	90.9	Very high	4 Å²	4	63.9 Å²	63.9	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-74.6	-47.3	176.3	-176.4	60.7	0	0	0	111.1	Y409 L410 A413 L457 K460 V461 D468 R469 G470 N474 Q475 M476	Y409-L472 HydrophobicContact CD2-CD2 4Å; Y409-L472 HydrophobicContact CE2-CD2 4.01Å; L410-L472 HydrophobicContact CD2-CD2 3.73Å; A413-L472 HydrophobicContact CB-CD1 4.14Å; A413-L472 HydrophobicContact CB-CD2 3.86Å; A413-L472 HydrophobicContact CB-CG 4.06Å; L457-L472 HydrophobicContact CD1-CD1 3.72Å; K460-L472 HydrophobicContact CB-CD1 3.89Å; V461-L472 HydrophobicContact CG2-CD1 4Å; D468-L472 PolarHBondContact O-N 3.32Å; R469-L472 PolarHBondContact O-N 2.73Å; G470-L472 VanDerWaalsContact C-N 3.31Å; G470-L472 PolarHBondContact O-N 3.43Å; L472-N474 VanDerWaalsContact C-N 3.33Å; L472-N474 PolarHBondContact O-N 3.07Å; L472-Q475 WeakPolarHBondContact O-CB 3.46Å; L472-Q475 PolarHBondContact O-N 3.08Å; L472-Q475 VanDerWaalsContact O-N 3.16Å; L472-M476 HydrophobicContact CG-SD 4.37Å; L472-M476 VanDerWaalsContact O-CG 3.29Å; L472-M476 WeakPolarHBondContact O-CG 3.36Å; L472-M476 PolarHBondContact O-N 3.18Å
473	E	93.5	Very high	91.1	Very high	78 Å²	78	61.5 Å²	61.5	36%	0.364	31%	0.31	S	S	.	.	H	α-helix	trans	-61.5	-40.1	177.9	-74.1	177.2	163.7	0	0	111.9	R469 G470 M476 H477	R469-E473 HydrophobicContact CG-CG 4.26Å; R469-E473 IonicContact CZ-OE1 3.05Å; R469-E473 IonicContact NE-OE1 3.06Å; R469-E473 PolarHBondContact NE-OE1 3.05Å; R469-E473 IonicContact NE-OE2 3.37Å; R469-E473 IonicContact NH2-OE1 2.77Å; R469-E473 PolarHBondContact NH2-OE1 2.77Å; R469-E473 WeakPolarHBondContact O-CG 3.43Å; R469-E473 PolarHBondContact O-N 2.96Å; G470-E473 PolarHBondContact O-N 3.44Å; E473-M476 WeakPolarHBondContact O-CB 3.43Å; E473-M476 PolarHBondContact O-N 3.02Å; E473-H477 PolarHBondContact O-N 3.38Å
474	N	94.2	Very high	91.3	Very high	89 Å²	89	61.6 Å²	61.6	48%	0.476	31%	0.31	S	S	.	.	H	α-helix	trans	-63.3	-43.3	173.7	-177.7	47.5	0	0	0	111.7	G470 L472 M476 H477 I478	G470-N474 VanDerWaalsContact O-CB 3.26Å; G470-N474 WeakPolarHBondContact O-CB 3.38Å; G470-N474 PolarHBondContact O-N 3.19Å; L472-N474 VanDerWaalsContact C-N 3.33Å; L472-N474 PolarHBondContact O-N 3.07Å; N474-M476 VanDerWaalsContact C-N 3.32Å; N474-M476 PolarHBondContact O-N 3.06Å; N474-H477 PolarHBondContact O-N 3.03Å; N474-I478 WeakPolarHBondContact O-CG1 3.41Å; N474-I478 PolarHBondContact O-N 2.97Å
475	Q	95.8	Very high	91.7	Very high	12 Å²	12	63.2 Å²	63.2	6%	0.056	32%	0.318	C	S	.	.	H	α-helix	trans	-62.8	-40	176.3	-169.6	64.1	45.4	0	0	112.1	E453 N456 L457 K460 D471 L472 I478 A479	E453-Q475 PolarHBondContact O-NE2 3.34Å; E453-Q475 VanDerWaalsContact O-NE2 3.16Å; E453-Q475 PolarHBondContact OE2-NE2 2.86Å; N456-Q475 HydrophobicContact CB-CG 4.47Å; L457-Q475 HydrophobicContact CB-CG 3.82Å; L457-Q475 HydrophobicContact CD1-CB 4.22Å; L457-Q475 HydrophobicContact CD1-CG 3.97Å; L457-Q475 HydrophobicContact CG-CG 4.49Å; K460-Q475 HydrophobicContact CD-CB 3.92Å; K460-Q475 HydrophobicContact CD-CG 4.05Å; D471-Q475 WeakPolarHBondContact O-CB 3.34Å; D471-Q475 PolarHBondContact O-N 2.96Å; L472-Q475 WeakPolarHBondContact O-CB 3.46Å; L472-Q475 PolarHBondContact O-N 3.08Å; L472-Q475 VanDerWaalsContact O-N 3.16Å; Q475-I478 PolarHBondContact O-N 3.17Å; Q475-A479 WeakPolarHBondContact O-CB 3.12Å; Q475-A479 PolarHBondContact O-N 3.46Å
476	M	95.9	Very high	92.3	Very high	28 Å²	28	58.3 Å²	58.3	14%	0.138	29%	0.291	C	S	.	.	H	α-helix	trans	-58.4	-49	174.3	-72.9	170.4	63.5	0	0	110.8	N412 A413 L416 L457 L472 E473 N474 I478 A479 E480	N412-M476 HydrophobicContact CB-CE 4.08Å; A413-M476 VanDerWaalsContact CA-SD 3.55Å; A413-M476 HydrophobicContact CB-CE 4.24Å; A413-M476 HydrophobicContact CB-CG 4.04Å; A413-M476 HydrophobicContact CB-SD 3.45Å; A413-M476 WeakPolarHBondContact CB-SD 3.48Å; L416-M476 HydrophobicContact CD2-CB 3.51Å; L416-M476 HydrophobicContact CD2-CE 4.17Å; L416-M476 HydrophobicContact CD2-CG 3.94Å; L416-M476 VanDerWaalsContact CD2-O 3.31Å; L416-M476 WeakPolarHBondContact CD2-O 3.19Å; L457-M476 HydrophobicContact CD1-CG 3.79Å; L472-M476 HydrophobicContact CG-SD 4.37Å; L472-M476 VanDerWaalsContact O-CG 3.29Å; L472-M476 WeakPolarHBondContact O-CG 3.36Å; L472-M476 PolarHBondContact O-N 3.18Å; E473-M476 WeakPolarHBondContact O-CB 3.43Å; E473-M476 PolarHBondContact O-N 3.02Å; N474-M476 VanDerWaalsContact C-N 3.32Å; N474-M476 PolarHBondContact O-N 3.06Å; M476-I478 PolarHBondContact O-N 3.46Å; M476-A479 PolarHBondContact O-N 3.08Å; M476-E480 PolarHBondContact O-N 3.43Å
477	H	95.3	Very high	92.8	Very high	121 Å²	121	53.6 Å²	53.6	56%	0.56	26%	0.259	S	S	*	.	H	α-helix	trans	-58.3	-48.4	178.9	-176.6	73.8	0	0	0	112	E473 N474 A479 E480 Q481	E473-H477 PolarHBondContact O-N 3.38Å; N474-H477 PolarHBondContact O-N 3.03Å; H477-A479 PolarHBondContact O-N 2.98Å; H477-E480 PolarHBondContact O-N 3.33Å; H477-Q481 WeakPolarHBondContact O-CB 3.48Å; H477-Q481 PolarHBondContact O-N 3.2Å
478	I	95.7	Very high	93.3	Very high	41 Å²	41	56.2 Å²	56.2	21%	0.21	27%	0.272	C	S	.	.	H	α-helix	trans	-60.6	-47.1	179.3	-65.5	165.9	0	0	0	110.9	E453 N474 Q475 M476 Q481 R482	E453-I478 HydrophobicContact CB-CG2 4.4Å; E453-I478 HydrophobicContact CG-CG2 3.74Å; N474-I478 WeakPolarHBondContact O-CG1 3.41Å; N474-I478 PolarHBondContact O-N 2.97Å; Q475-I478 PolarHBondContact O-N 3.17Å; M476-I478 PolarHBondContact O-N 3.46Å; I478-Q481 PolarHBondContact O-N 2.95Å; I478-R482 WeakPolarHBondContact O-CG 3.27Å; I478-R482 PolarHBondContact O-N 3.2Å
479	A	96.1	Very high	93.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-45.6	-179.7	0	0	0	0	0	112	E453 L457 Q475 M476 H477 R482 R483	E453-A479 HydrophobicContact CB-CB 4.32Å; L457-A479 HydrophobicContact CD2-CB 4.08Å; Q475-A479 WeakPolarHBondContact O-CB 3.12Å; Q475-A479 PolarHBondContact O-N 3.46Å; M476-A479 PolarHBondContact O-N 3.08Å; H477-A479 PolarHBondContact O-N 2.98Å; A479-R482 PolarHBondContact O-N 3.24Å; A479-R483 WeakPolarHBondContact O-CB 3.42Å; A479-R483 PolarHBondContact O-N 3.45Å
480	E	95.4	Very high	93.6	Very high	20 Å²	20	48.8 Å²	48.8	9%	0.093	24%	0.241	C	C	.	.	H	α-helix	trans	-65.7	-39.5	177.5	-178.1	58.9	-174.9	0	0	111.6	L416 K419 M476 H477 R483 R484	L416-E480 HydrophobicContact CD1-CB 3.95Å; L416-E480 HydrophobicContact CD1-CG 4.24Å; L416-E480 VanDerWaalsContact CD1-OE2 3.27Å; L416-E480 WeakPolarHBondContact CD1-OE2 3.47Å; L416-E480 HydrophobicContact CD2-CB 4.22Å; K419-E480 IonicContact NZ-OE1 3.6Å; K419-E480 PolarHBondContact NZ-OE1 2.99Å; M476-E480 PolarHBondContact O-N 3.43Å; H477-E480 PolarHBondContact O-N 3.33Å; E480-R483 PolarHBondContact O-N 2.94Å; E480-R483 IonicContact OE1-CZ 3.17Å; E480-R483 IonicContact OE1-NE 3.18Å; E480-R483 IonicContact OE1-NH2 3.92Å; E480-R483 PolarHBondContact OE1-NH2 3.43Å; E480-R483 IonicContact OE2-CZ 2.72Å; E480-R483 IonicContact OE2-NE 2.92Å; E480-R483 PolarHBondContact OE2-NE 3.24Å; E480-R483 IonicContact OE2-NH2 3.51Å; E480-R483 PolarHBondContact OE2-NH2 3.35Å; E480-R484 HydrophobicContact CG-CG 4.28Å; E480-R484 WeakPolarHBondContact O-CB 3.2Å; E480-R484 WeakPolarHBondContact O-CG 3.37Å; E480-R484 PolarHBondContact O-N 3.21Å; E480-R484 IonicContact OE1-CZ 3.52Å; E480-R484 IonicContact OE1-NE 3.68Å; E480-R484 PolarHBondContact OE1-NE 3.17Å; E480-R484 IonicContact OE1-NH2 3.96Å
481	Q	94.7	Very high	93.1	Very high	104 Å²	104	48.1 Å²	48.1	49%	0.486	23%	0.227	S	C	.	.	H	α-helix	trans	-61.1	-47.3	177.3	-171.9	179.7	11.7	0	0	111.1	H477 I478 R483 R484 T485	H477-Q481 WeakPolarHBondContact O-CB 3.48Å; H477-Q481 PolarHBondContact O-N 3.2Å; I478-Q481 PolarHBondContact O-N 2.95Å; Q481-R483 VanDerWaalsContact C-N 3.31Å; Q481-R483 PolarHBondContact O-N 3.05Å; Q481-R484 PolarHBondContact O-N 2.86Å; Q481-T485 PolarHBondContact O-N 3.29Å; Q481-T485 PolarHBondContact O-OG1 3.47Å
482	R	94.8	Very high	91.7	Very high	91 Å²	91	47.9 Å²	47.9	34%	0.343	23%	0.226	S	C	.	.	H	α-helix	trans	-59.6	-41.8	175.7	-67.3	-60.6	179.6	-157.9	-5.3	112	L450 E453 I478 A479 T485 L486	L450-R482 HydrophobicContact CB-CB 4.33Å; L450-R482 HydrophobicContact CD1-CB 3.96Å; E453-R482 HydrophobicContact CG-CG 4.1Å; I478-R482 WeakPolarHBondContact O-CG 3.27Å; I478-R482 PolarHBondContact O-N 3.2Å; A479-R482 PolarHBondContact O-N 3.24Å; R482-T485 PolarHBondContact O-N 2.88Å; R482-L486 PolarHBondContact O-N 2.77Å
483	R	95.3	Very high	89.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.4	-47.2	178.5	-166.8	-167.8	72.2	81.4	11.1	111.4	E57 K419 T423 L450 A479 E480 Q481 L486 L487	E57-R483 VanDerWaalsContact CD-NH1 3.34Å; E57-R483 IonicContact OE1-NH1 3.73Å; E57-R483 IonicContact OE2-CZ 2.75Å; E57-R483 IonicContact OE2-NH1 2.89Å; E57-R483 PolarHBondContact OE2-NH1 3.44Å; E57-R483 IonicContact OE2-NH2 3.13Å; E57-R483 PolarHBondContact OE2-NH2 2.89Å; K419-R483 VanDerWaalsContact CE-CZ 3.41Å; T423-R483 HydrophobicContact CG2-CG 3.91Å; T423-R483 PolarHBondContact OG1-NH1 3.41Å; L450-R483 HydrophobicContact CD1-CB 3.85Å; L450-R483 HydrophobicContact CD1-CG 4.48Å; L450-R483 HydrophobicContact CD2-CB 4.45Å; L450-R483 HydrophobicContact CD2-CG 4.42Å; A479-R483 WeakPolarHBondContact O-CB 3.42Å; A479-R483 PolarHBondContact O-N 3.45Å; E480-R483 PolarHBondContact O-N 2.94Å; E480-R483 IonicContact OE1-CZ 3.17Å; E480-R483 IonicContact OE1-NE 3.18Å; E480-R483 IonicContact OE1-NH2 3.92Å; E480-R483 PolarHBondContact OE1-NH2 3.43Å; E480-R483 IonicContact OE2-CZ 2.72Å; E480-R483 IonicContact OE2-NE 2.92Å; E480-R483 PolarHBondContact OE2-NE 3.24Å; E480-R483 IonicContact OE2-NH2 3.51Å; E480-R483 PolarHBondContact OE2-NH2 3.35Å; Q481-R483 VanDerWaalsContact C-N 3.31Å; Q481-R483 PolarHBondContact O-N 3.05Å; R483-L486 PolarHBondContact O-N 3.47Å; R483-L487 WeakPolarHBondContact O-CG 3.48Å; R483-L487 PolarHBondContact O-N 3.18Å
484	R	93.1	Very high	89.4	Confident	78 Å²	78	53.2 Å²	53.2	29%	0.294	26%	0.261	S	S	.	.	H	α-helix	trans	-63.8	-41.6	177.9	-72.6	-179.8	-179.7	-160.1	-2.4	112.2	P56 E480 Q481 L487 K488	P56-R484 HydrophobicContact CG-CB 4.38Å; P56-R484 HydrophobicContact CG-CG 4.38Å; E480-R484 HydrophobicContact CG-CG 4.28Å; E480-R484 WeakPolarHBondContact O-CB 3.2Å; E480-R484 WeakPolarHBondContact O-CG 3.37Å; E480-R484 PolarHBondContact O-N 3.21Å; E480-R484 IonicContact OE1-CZ 3.52Å; E480-R484 IonicContact OE1-NE 3.68Å; E480-R484 PolarHBondContact OE1-NE 3.17Å; E480-R484 IonicContact OE1-NH2 3.96Å; Q481-R484 PolarHBondContact O-N 2.86Å; R484-L487 PolarHBondContact O-N 3.04Å; R484-K488 VanDerWaalsContact O-CB 3.3Å; R484-K488 WeakPolarHBondContact O-CB 3.3Å; R484-K488 PolarHBondContact O-N 2.97Å
485	T	92.9	Very high	89.2	Confident	53 Å²	53	51.3 Å²	51.3	33%	0.325	25%	0.249	S	C	.	.	H	α-helix	trans	-60	-47.7	175.2	-59.8	0	0	0	0	111.2	Q481 R482 L487 K488 D489	Q481-T485 PolarHBondContact O-N 3.29Å; Q481-T485 PolarHBondContact O-OG1 3.47Å; R482-T485 PolarHBondContact O-N 2.88Å; T485-L487 VanDerWaalsContact C-N 3.35Å; T485-L487 PolarHBondContact O-N 2.93Å; T485-K488 PolarHBondContact O-N 2.7Å; T485-D489 PolarHBondContact O-N 3.29Å
486	L	94.2	Very high	88.8	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.4	-44.6	177.8	-174.4	152.9	0	0	0	111.8	P267 T427 F443 Q446 Q447 L450 R482 R483 D489 F490	P267-L486 HydrophobicContact CB-CD2 4.2Å; P267-L486 HydrophobicContact CG-CD2 3.98Å; T427-L486 HydrophobicContact CG2-CD1 4.07Å; T427-L486 HydrophobicContact CG2-CD2 4.01Å; F443-L486 HydrophobicContact CE2-CD1 4.4Å; F443-L486 HydrophobicContact CE2-CD2 4.1Å; F443-L486 HydrophobicContact CE2-CG 4.32Å; Q446-L486 HydrophobicContact CB-CD1 4.27Å; Q447-L486 HydrophobicContact CB-CD1 4.39Å; L450-L486 HydrophobicContact CD2-CD1 4.02Å; R482-L486 PolarHBondContact O-N 2.77Å; R483-L486 PolarHBondContact O-N 3.47Å; L486-D489 PolarHBondContact O-N 3.34Å; L486-F490 HydrophobicContact CG-CD2 4.47Å; L486-F490 WeakPolarHBondContact O-CB 3.47Å; L486-F490 WeakPolarHBondContact O-CD2 3.44Å; L486-F490 PolarHBondContact O-N 3.36Å; L486-F490 VanDerWaalsContact O-N 3.17Å
487	L	92.9	Very high	88.4	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.1	-44.4	177.3	-70.7	179	0	0	0	111.8	P56 E57 A266 P267 T423 R483 R484 T485 D489 F490 H491	P56-L487 HydrophobicContact CB-CB 4.15Å; P56-L487 HydrophobicContact CG-CB 3.84Å; P56-L487 HydrophobicContact CG-CD1 4.37Å; E57-L487 HydrophobicContact CG-CD1 3.78Å; A266-L487 HydrophobicContact CB-CD2 3.84Å; P267-L487 HydrophobicContact CB-CD2 4.13Å; T423-L487 HydrophobicContact CG2-CD1 4.38Å; T423-L487 HydrophobicContact CG2-CD2 3.92Å; T423-L487 HydrophobicContact CG2-CG 4.19Å; R483-L487 WeakPolarHBondContact O-CG 3.48Å; R483-L487 PolarHBondContact O-N 3.18Å; R484-L487 PolarHBondContact O-N 3.04Å; T485-L487 VanDerWaalsContact C-N 3.35Å; T485-L487 PolarHBondContact O-N 2.93Å; L487-D489 VanDerWaalsContact C-N 3.25Å; L487-D489 PolarHBondContact O-N 3.4Å; L487-F490 PolarHBondContact O-N 3.02Å; L487-H491 HydrophobicContact CB-CB 4.26Å; L487-H491 HydrophobicContact CD2-CB 4.06Å; L487-H491 WeakPolarHBondContact O-CA 3.37Å; L487-H491 WeakPolarHBondContact O-CB 3.39Å; L487-H491 PolarHBondContact O-N 3.47Å
488	K	90.7	Very high	87.9	Confident	137 Å²	137	50.8 Å²	50.8	60%	0.596	25%	0.249	S	C	*	.	H	α-helix	trans	-56.4	-40.6	177.6	-176.5	178.8	178.8	177.2	0	112.4	R484 T485	R484-K488 VanDerWaalsContact O-CB 3.3Å; R484-K488 WeakPolarHBondContact O-CB 3.3Å; R484-K488 PolarHBondContact O-N 2.97Å; T485-K488 PolarHBondContact O-N 2.7Å
489	D	91.1	Very high	87.4	Confident	57 Å²	57	51.5 Å²	51.5	31%	0.305	25%	0.252	S	S	.	.	H	α-helix	trans	-80.6	-23.1	-175.4	-70.1	-8.8	0	0	0	113.6	R439 Q446 T485 L486 L487	R439-D489 PolarHBondContact NH2-O 2.87Å; Q446-D489 PolarHBondContact NE2-OD2 3.22Å; T485-D489 PolarHBondContact O-N 3.29Å; L486-D489 PolarHBondContact O-N 3.34Å; L487-D489 VanDerWaalsContact C-N 3.25Å; L487-D489 PolarHBondContact O-N 3.4Å
490	F	90.3	Very high	86.8	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.009	27%	0.27	C	S	.	.	H	α-helix	trans	-132.1	-9.2	-167.8	-63.5	-80.5	0	0	0	116.9	P267 Y430 M434 R439 L442 F443 L486 L487	P267-F490 HydrophobicContact CB-CB 4.5Å; Y430-F490 HydrophobicContact CE1-CB 4.19Å; Y430-F490 HydrophobicContact CE1-CD1 4.05Å; Y430-F490 HydrophobicContact CE1-CG 4.42Å; Y430-F490 PolarHBondContact OH-O 3.39Å; M434-F490 HydrophobicContact CE-CD1 4.41Å; M434-F490 HydrophobicContact CE-CE1 4.15Å; R439-F490 HydrophobicContact CG-CE1 3.86Å; L442-F490 HydrophobicContact CB-CZ 4.49Å; L442-F490 HydrophobicContact CD2-CZ 4.41Å; L442-F490 HydrophobicContact CG-CZ 4.22Å; F443-F490 HydrophobicContact CB-CD1 4.35Å; F443-F490 HydrophobicContact CB-CE1 3.69Å; F443-F490 HydrophobicContact CB-CE2 4.16Å; F443-F490 HydrophobicContact CB-CZ 3.58Å; F443-F490 HydrophobicContact CD2-CB 4.21Å; F443-F490 AromaticContact CD2-CD1 3.66Å; F443-F490 HydrophobicContact CD2-CD1 3.66Å; F443-F490 AromaticContact CD2-CD2 3.64Å; F443-F490 HydrophobicContact CD2-CD2 3.64Å; F443-F490 AromaticContact CD2-CE1 3.84Å; F443-F490 HydrophobicContact CD2-CE1 3.84Å; F443-F490 AromaticContact CD2-CE2 3.83Å; F443-F490 HydrophobicContact CD2-CE2 3.83Å; F443-F490 AromaticContact CD2-CG 3.56Å; F443-F490 HydrophobicContact CD2-CG 3.56Å; F443-F490 AromaticContact CD2-CZ 3.94Å; F443-F490 HydrophobicContact CD2-CZ 3.94Å; F443-F490 HydrophobicContact CE2-CB 4.28Å; F443-F490 HydrophobicContact CE2-CD1 4.48Å; F443-F490 HydrophobicContact CE2-CD2 4.27Å; F443-F490 HydrophobicContact CE2-CG 4.1Å; F443-F490 HydrophobicContact CG-CD1 4.45Å; F443-F490 HydrophobicContact CG-CE1 4.25Å; F443-F490 HydrophobicContact CG-CE2 4.5Å; F443-F490 HydrophobicContact CG-CZ 4.29Å; L486-F490 HydrophobicContact CG-CD2 4.47Å; L486-F490 WeakPolarHBondContact O-CB 3.47Å; L486-F490 WeakPolarHBondContact O-CD2 3.44Å; L486-F490 PolarHBondContact O-N 3.36Å; L486-F490 VanDerWaalsContact O-N 3.17Å; L487-F490 PolarHBondContact O-N 3.02Å
491	H	79.4	Confident	86.2	Confident	25 Å²	25	57.8 Å²	57.8	12%	0.116	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-30.5	179.3	-178.2	-119.5	0	0	0	113.5	R245 Y264 A266 L487	R245-H491 PolarHBondContact NH1-CE1 3.19Å; R245-H491 VanDerWaalsContact NH1-CE1 3.28Å; R245-H491 PolarHBondContact NH1-ND1 3Å; Y264-H491 PolarHBondContact OH-CE1 3.38Å; Y264-H491 PolarHBondContact OH-NE2 3.41Å; A266-H491 VanDerWaalsContact CB-CD2 3.41Å; A266-H491 WeakPolarHBondContact CB-CD2 3.2Å; A266-H491 WeakPolarHBondContact CB-NE2 3.24Å; L487-H491 HydrophobicContact CB-CB 4.26Å; L487-H491 HydrophobicContact CD2-CB 4.06Å; L487-H491 WeakPolarHBondContact O-CA 3.37Å; L487-H491 WeakPolarHBondContact O-CB 3.39Å; L487-H491 PolarHBondContact O-N 3.47Å
492	D	62.6	Low	85.4	Confident	65 Å²	65	54 Å²	54	35%	0.348	27%	0.266	S	S	.	.			trans	-92.3	1.9	-175.7	-70.1	-27.8	0	0	0	114.3	R245	R245-D492 IonicContact CZ-OD1 2.93Å; R245-D492 IonicContact NH1-OD1 2.71Å; R245-D492 PolarHBondContact NH1-OD1 3.48Å; R245-D492 IonicContact NH2-OD1 3.58Å; R245-D492 PolarHBondContact NH2-OD1 3.5Å
493	T	48.2	Very low	84.6	Confident	140 Å²	140	50.6 Å²	50.6	86%	0.859	26%	0.259	S	S	*	.			trans	-97.3	0	172	55.3	0	0	0	0	111.1	R439	R439-T493 PolarHBondContact NH2-OG1 3.03Å

Retrieved 493 of 493 residues in 2899.3 ms (Link to these results)

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