A0A087XPQ9_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087XPQ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 782 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	29.4	Very low	33.9	Very low	242 Å²	242	124.4 Å²	124.4	100%	1.192	78%	0.782	S	S	*	*				0	130.8	0	-64	172.1	178.8	0	0	107
2	A	28.2	Very low	34.7	Very low	107 Å²	107	123.9 Å²	123.9	88%	0.884	78%	0.782	S	S	*	*			trans	57.4	154.1	172.9	0	0	0	0	0	116.3
3	A	31.1	Very low	34.4	Very low	87 Å²	87	123.4 Å²	123.4	72%	0.719	78%	0.776	S	S	*	*			cis	-166.1	154.5	-11.6	0	0	0	0	0	106.5
4	L	30.9	Very low	33.9	Very low	157 Å²	157	127.5 Å²	127.5	82%	0.822	78%	0.777	S	S	*	*			cis	-151.1	160.1	-8.4	-101.8	164.3	0	0	0	106.6
5	S	32.8	Very low	33.6	Very low	100 Å²	100	129 Å²	129	70%	0.699	78%	0.779	S	S	*	*				49.6	138.4	98.9	-141	0	0	0	0	116.1
6	S	30.6	Very low	33.2	Very low	100 Å²	100	125.4 Å²	125.4	70%	0.699	78%	0.777	S	S	*	*			cis	-153.6	159.3	22.2	-49.5	0	0	0	0	114.7
7	A	30.1	Very low	33	Very low	76 Å²	76	128.2 Å²	128.2	63%	0.628	79%	0.785	S	S	*	*			trans	64.3	121.2	130.6	0	0	0	0	0	120.7
8	E	28.4	Very low	32.8	Very low	181 Å²	181	125.4 Å²	125.4	85%	0.846	78%	0.778	S	S	*	*				73.4	145	78.4	-67.9	174.6	114.1	0	0	114.3
9	S	30	Very low	32.6	Very low	102 Å²	102	126.4 Å²	126.4	71%	0.713	78%	0.783	S	S	*	*			cis	-166.4	170.8	-12.3	-97.1	0	0	0	0	110.4
10	P	47.3	Very low	32.4	Very low	114 Å²	114	127.6 Å²	127.6	74%	0.74	78%	0.779	S	S	*	*			trans	-108.2	-152.8	-168.2	43.4	-36.1	0	0	0	113.5
11	P	54.5	Low	32.2	Very low	102 Å²	102	132.3 Å²	132.3	66%	0.662	78%	0.782	S	S	*	*			cis	-118.8	-167.1	-48.9	32.2	-11.7	0	0	0	112.2	V13	P11-V13 HydrophobicContact CG-CG2 4.41Å
12	P	43.1	Very low	32.2	Very low	119 Å²	119	128.4 Å²	128.4	77%	0.773	76%	0.762	S	S	*	*				-143.9	159.7	98.2	36.8	-20.5	0	0	0	114.5
13	V	30.7	Very low	32.9	Very low	117 Å²	117	129.3 Å²	129.3	71%	0.709	76%	0.758	S	S	*	*			cis	91.9	130.7	41.2	-152.9	0	0	0	0	115.8	P11	P11-V13 HydrophobicContact CG-CG2 4.41Å
14	F	27.1	Very low	32.8	Very low	181 Å²	181	128.2 Å²	128.2	79%	0.794	76%	0.756	S	S	*	*			trans	107.9	158.7	158.1	-95	-74.6	0	0	0	122.2
15	N	29.2	Very low	32.7	Very low	150 Å²	150	130.5 Å²	130.5	80%	0.802	75%	0.753	S	S	*	*			trans	-104.7	172.4	-148.7	-48.4	-16.4	0	0	0	115.7
16	G	28.4	Very low	32.5	Very low	72 Å²	72	132.5 Å²	132.5	74%	0.742	75%	0.752	S	S	*	*			trans	144.3	112.2	162.9	0	0	0	0	0	110
17	D	28.8	Very low	32.5	Very low	173 Å²	173	133.2 Å²	133.2	93%	0.925	76%	0.756	S	S	*	*			cis	87.9	148.8	42.5	-151.4	5.7	0	0	0	113.7
18	A	29	Very low	32.3	Very low	78 Å²	78	133 Å²	133	65%	0.645	76%	0.762	S	S	*	*			trans	-87.7	161.9	-144.8	0	0	0	0	0	117.5
19	T	30.2	Very low	32.3	Very low	143 Å²	143	132.4 Å²	132.4	88%	0.877	76%	0.764	S	S	*	*			trans	-170.3	163.7	130.2	14.9	0	0	0	0	115.6
20	E	29	Very low	32.1	Very low	151 Å²	151	136.9 Å²	136.9	71%	0.706	77%	0.773	S	S	*	*			trans	-50.4	152.9	-179.2	-49.2	167.7	162.9	0	0	118.7
21	R	26.5	Very low	31.3	Very low	226 Å²	226	140.1 Å²	140.1	85%	0.853	78%	0.778	S	S	*	*				167.4	131	103.2	-92.3	-177.6	-171.4	-171	-0.4	117.7
22	E	31.1	Very low	30.1	Very low	161 Å²	161	143.9 Å²	143.9	75%	0.752	79%	0.792	S	S	*	*			trans	-72.9	161.2	145	-91.1	-77.9	137.3	0	0	109.7	G24	E22-G24 PolarHBondContact OE2-N 3.36Å
23	P	42.2	Very low	29.3	Very low	125 Å²	125	140.9 Å²	140.9	81%	0.812	78%	0.783	S	S	*	*				-156	154.7	50.9	40.8	-18.3	0	0	0	122
24	G	28.2	Very low	30	Very low	65 Å²	65	141.8 Å²	141.8	67%	0.67	79%	0.791	S	S	*	*			trans	84.1	174.6	144.3	0	0	0	0	0	119	E22	E22-G24 PolarHBondContact OE2-N 3.36Å
25	R	30.4	Very low	29.9	Very low	205 Å²	205	136.6 Å²	136.6	77%	0.774	79%	0.789	S	S	*	*			cis	-169	148.4	4.9	-156.1	-174.8	-171.2	-132.9	7.1	112
26	E	28.8	Very low	29.8	Very low	142 Å²	142	136.8 Å²	136.8	66%	0.664	79%	0.789	S	S	*	*			trans	61.8	154	160	-79.5	145.1	-170.6	0	0	118.2
27	S	29.1	Very low	29.6	Very low	114 Å²	114	139.8 Å²	139.8	80%	0.797	79%	0.788	S	S	*	*			cis	-153.1	157.9	-6	47.7	0	0	0	0	111
28	G	26.4	Very low	29.5	Very low	72 Å²	72	136.6 Å²	136.6	74%	0.742	78%	0.779	S	S	*	*				103.6	92.6	112.7	0	0	0	0	0	113.7
29	L	27.9	Very low	29.3	Very low	169 Å²	169	138 Å²	138	89%	0.885	79%	0.785	S	S	*	*				62.1	105.1	72.4	-114.2	174.2	0	0	0	116
30	E	27.2	Very low	29	Very low	195 Å²	195	136.9 Å²	136.9	91%	0.911	78%	0.781	S	S	*	*			trans	-163.5	147.9	131.9	-113.5	174.9	-176.4	0	0	111.4
31	E	30.2	Very low	28.9	Very low	182 Å²	182	134.8 Å²	134.8	85%	0.85	78%	0.783	S	S	*	*			trans	-98	158.5	175.1	-64.2	-179.8	99.7	0	0	110.9
32	L	28.2	Very low	29.2	Very low	182 Å²	182	130.1 Å²	130.1	95%	0.953	79%	0.785	S	S	*	*			trans	-168.4	142.1	142.6	-108	169.2	0	0	0	113.6
33	G	25.9	Very low	29	Very low	56 Å²	56	125.4 Å²	125.4	58%	0.577	78%	0.779	S	S	*	*			trans	-153.6	-162.4	163.6	0	0	0	0	0	108.3
34	P	45.9	Very low	29.1	Very low	136 Å²	136	127.5 Å²	127.5	88%	0.883	78%	0.782	S	S	*	*			cis	-135.4	-179.4	-4.3	42.5	-26.2	0	0	0	114.8
35	G	25.6	Very low	29.7	Very low	72 Å²	72	128.3 Å²	128.3	74%	0.742	78%	0.776	S	S	*	*			trans	91.9	160.1	163.3	0	0	0	0	0	116.6
36	L	26.7	Very low	30.5	Very low	154 Å²	154	122.6 Å²	122.6	81%	0.806	78%	0.78	S	S	*	*			cis	-156.1	157.6	-0.5	-101.9	156	0	0	0	111.2
37	D	24.5	Very low	31.9	Very low	134 Å²	134	117 Å²	117	72%	0.717	76%	0.761	S	S	*	*			trans	54.7	109.1	151.2	-61.8	-15.9	0	0	0	124.9
38	S	26.3	Very low	33.5	Very low	107 Å²	107	116.9 Å²	116.9	75%	0.748	76%	0.757	S	S	*	*				92.3	123.4	119.7	76.4	0	0	0	0	122.8
39	S	25.5	Very low	35.2	Very low	108 Å²	108	118.4 Å²	118.4	76%	0.755	75%	0.745	S	S	*	*			trans	41	121	143.4	59	0	0	0	0	121.7
40	C	24.5	Very low	37.3	Very low	119 Å²	119	113.2 Å²	113.2	80%	0.804	72%	0.716	S	S	*	*				-163	159.8	100.5	-130.4	0	0	0	0	115.3
41	S	26.3	Very low	39.6	Very low	106 Å²	106	109 Å²	109	74%	0.741	70%	0.697	S	S	*	*			trans	35	104.8	156.4	59.2	0	0	0	0	120.4	G43	S41-G43 PolarHBondContact O-N 2.82Å; S41-G43 VanDerWaalsContact O-N 3.09Å
42	S	31.8	Very low	41.9	Very low	128 Å²	128	103.4 Å²	103.4	90%	0.895	67%	0.67	S	S	*	*			trans	-71.5	90	152.4	55.6	0	0	0	0	110.5
43	G	28.4	Very low	44.6	Very low	62 Å²	62	95.2 Å²	95.2	64%	0.639	63%	0.627	S	S	*	*			trans	-74.1	143.8	163.7	0	0	0	0	0	110.7	S41 P45	S41-G43 PolarHBondContact O-N 2.82Å; S41-G43 VanDerWaalsContact O-N 3.09Å; G43-P45 WeakPolarHBondContact O-CD 3.44Å
44	I	42.7	Very low	47.3	Very low	169 Å²	169	99.6 Å²	99.6	87%	0.867	63%	0.627	S	S	*	*			trans	-87.6	115.2	163.3	-60.7	174	0	0	0	106.6
45	P	40.7	Very low	48.9	Very low	83 Å²	83	96.7 Å²	96.7	54%	0.539	60%	0.604	S	S	.	*			trans	-86.8	151.8	162.1	41.9	-36.6	0	0	0	108.8	G43 E50	G43-P45 WeakPolarHBondContact O-CD 3.44Å; P45-E50 VanDerWaalsContact C-OE2 3.23Å; P45-E50 WeakPolarHBondContact CB-OE1 3.33Å; P45-E50 WeakPolarHBondContact CB-OE2 3.48Å; P45-E50 VanDerWaalsContact CG-OE1 3.26Å; P45-E50 WeakPolarHBondContact CG-OE1 3.47Å
46	G	47.6	Very low	51.9	Low	84 Å²	84	93.8 Å²	93.8	87%	0.866	57%	0.571	S	S	*	*			trans	-139.7	63.3	-163.1	0	0	0	0	0	113.7	E50	G46-E50 PolarHBondContact N-OE2 2.82Å
47	G	58.9	Low	54.8	Low	25 Å²	25	90.5 Å²	90.5	26%	0.258	55%	0.55	S	S	.	*			trans	-112	151.5	167.9	0	0	0	0	0	113.4	Q49 E50 E51	G47-Q49 PolarHBondContact O-N 3.44Å; G47-Q49 VanDerWaalsContact O-N 3.17Å; G47-E50 PolarHBondContact N-OE2 2.71Å; G47-E50 WeakPolarHBondContact O-CB 3.1Å; G47-E50 PolarHBondContact O-N 3.14Å; G47-E51 PolarHBondContact O-N 2.88Å; G47-E51 VanDerWaalsContact O-N 3.17Å
48	P	62.6	Low	57.7	Low	112 Å²	112	88 Å²	88	73%	0.727	54%	0.535	S	S	*	.	H	α-helix	trans	-56.8	-31.3	176.2	-26.1	34.9	0	0	0	114.1	E52	P48-E52 PolarHBondContact O-N 3.02Å
49	Q	62.2	Low	60.4	Low	103 Å²	103	87.2 Å²	87.2	48%	0.481	52%	0.52	S	S	.	.	H	α-helix	trans	-71.8	-30.1	176.6	-70.4	167.4	-32.8	0	0	112.3	G47 E52 I53	G47-Q49 PolarHBondContact O-N 3.44Å; G47-Q49 VanDerWaalsContact O-N 3.17Å; Q49-E52 PolarHBondContact O-N 3.48Å; Q49-I53 WeakPolarHBondContact O-CD1 3.22Å; Q49-I53 VanDerWaalsContact O-CG1 3.25Å; Q49-I53 WeakPolarHBondContact O-CG1 3.46Å; Q49-I53 PolarHBondContact O-N 3.14Å
50	E	72.2	Confident	63.5	Low	60 Å²	60	82.7 Å²	82.7	28%	0.28	49%	0.487	S	S	.	.	H	α-helix	trans	-76.6	-34.1	177.1	-58.9	-179.3	116.1	0	0	111.2	P45 G46 G47 I53 W54 M109	P45-E50 VanDerWaalsContact C-OE2 3.23Å; P45-E50 WeakPolarHBondContact CB-OE1 3.33Å; P45-E50 WeakPolarHBondContact CB-OE2 3.48Å; P45-E50 VanDerWaalsContact CG-OE1 3.26Å; P45-E50 WeakPolarHBondContact CG-OE1 3.47Å; G46-E50 PolarHBondContact N-OE2 2.82Å; G47-E50 PolarHBondContact N-OE2 2.71Å; G47-E50 WeakPolarHBondContact O-CB 3.1Å; G47-E50 PolarHBondContact O-N 3.14Å; E50-I53 PolarHBondContact O-N 2.7Å; E50-W54 WeakPolarHBondContact O-CB 3.32Å; E50-W54 PolarHBondContact O-N 3.48Å; E50-M109 HydrophobicContact CG-CE 4.24Å; E50-M109 HydrophobicContact CG-SD 3.76Å
51	E	75.1	Confident	66.6	Low	107 Å²	107	82 Å²	82	50%	0.5	47%	0.47	S	S	.	.	H	α-helix	trans	-63.9	-39.8	167	-176	172	-168.6	0	0	111.3	G47 W54 N55	G47-E51 PolarHBondContact O-N 2.88Å; G47-E51 VanDerWaalsContact O-N 3.17Å; E51-W54 PolarHBondContact O-N 3.2Å; E51-N55 WeakPolarHBondContact CG-ND2 3.44Å; E51-N55 WeakPolarHBondContact O-CB 3.36Å; E51-N55 PolarHBondContact O-N 3.23Å; E51-N55 PolarHBondContact O-ND2 2.74Å
52	E	79.1	Confident	69.1	Low	64 Å²	64	80.6 Å²	80.6	30%	0.299	45%	0.454	S	S	.	.	H	α-helix	trans	-64.2	-46.1	173.9	-164.6	-179.4	162.1	0	0	111.9	P48 Q49 W54 N55 I56 R101 L105	P48-E52 PolarHBondContact O-N 3.02Å; Q49-E52 PolarHBondContact O-N 3.48Å; E52-W54 VanDerWaalsContact C-N 3.32Å; E52-W54 PolarHBondContact O-N 2.75Å; E52-N55 PolarHBondContact O-N 2.95Å; E52-I56 HydrophobicContact CG-CD1 3.88Å; E52-I56 WeakPolarHBondContact O-CG1 3.29Å; E52-I56 PolarHBondContact O-N 3.29Å; E52-R101 IonicContact OE1-CZ 2.78Å; E52-R101 IonicContact OE1-NE 3.45Å; E52-R101 PolarHBondContact OE1-NE 3.23Å; E52-R101 IonicContact OE1-NH2 2.92Å; E52-R101 PolarHBondContact OE1-NH2 3.17Å; E52-L105 HydrophobicContact CB-CD1 4.27Å; E52-L105 HydrophobicContact CG-CD1 3.88Å
53	I	83.6	Confident	71.8	Confident	10 Å²	10	74.9 Å²	74.9	5%	0.051	41%	0.414	C	S	.	.	H	α-helix	trans	-58.3	-43	174.5	-70.4	161.8	0	0	0	110.9	Q49 E50 I56 K57 L105 L106 M109	Q49-I53 WeakPolarHBondContact O-CD1 3.22Å; Q49-I53 VanDerWaalsContact O-CG1 3.25Å; Q49-I53 WeakPolarHBondContact O-CG1 3.46Å; Q49-I53 PolarHBondContact O-N 3.14Å; E50-I53 PolarHBondContact O-N 2.7Å; I53-I56 PolarHBondContact O-N 3.18Å; I53-K57 HydrophobicContact CG2-CD 4.01Å; I53-K57 WeakPolarHBondContact O-CB 3.1Å; I53-K57 WeakPolarHBondContact O-CG 3.39Å; I53-K57 PolarHBondContact O-N 3.38Å; I53-L105 HydrophobicContact CD1-CB 3.92Å; I53-L105 HydrophobicContact CG1-CB 3.57Å; I53-L105 HydrophobicContact CG1-CD1 4.07Å; I53-L105 HydrophobicContact CG1-CG 4.44Å; I53-L106 HydrophobicContact CD1-CD2 4.07Å; I53-L106 HydrophobicContact CD1-CG 4.46Å; I53-L106 HydrophobicContact CG2-CD2 4.46Å; I53-M109 HydrophobicContact CD1-CE 3.66Å; I53-M109 HydrophobicContact CD1-SD 4.07Å
54	W	82.4	Confident	74.7	Confident	149 Å²	149	75.4 Å²	75.4	56%	0.564	40%	0.4	S	S	*	.	H	α-helix	trans	-64	-44.3	177.8	-176	91.4	0	0	0	112.1	E50 E51 E52 K57 Q58	E50-W54 WeakPolarHBondContact O-CB 3.32Å; E50-W54 PolarHBondContact O-N 3.48Å; E51-W54 PolarHBondContact O-N 3.2Å; E52-W54 VanDerWaalsContact C-N 3.32Å; E52-W54 PolarHBondContact O-N 2.75Å; W54-K57 PolarHBondContact O-N 3.34Å; W54-Q58 HydrophobicContact CD2-CG 4.22Å; W54-Q58 HydrophobicContact CE3-CG 4.11Å; W54-Q58 HydrophobicContact CH2-CG 3.79Å; W54-Q58 HydrophobicContact CZ2-CG 3.9Å; W54-Q58 HydrophobicContact CZ3-CG 3.89Å; W54-Q58 WeakPolarHBondContact O-CG 3.45Å; W54-Q58 PolarHBondContact O-N 2.73Å; W54-Q58 VanDerWaalsContact O-N 3.07Å
55	N	80.3	Confident	77	Confident	75 Å²	75	71.5 Å²	71.5	40%	0.401	38%	0.378	S	S	.	.	H	α-helix	trans	-63.4	-41.5	176.9	-80.6	-65.3	0	0	0	111.9	E51 E52 Q58 M59	E51-N55 WeakPolarHBondContact CG-ND2 3.44Å; E51-N55 WeakPolarHBondContact O-CB 3.36Å; E51-N55 PolarHBondContact O-N 3.23Å; E51-N55 PolarHBondContact O-ND2 2.74Å; E52-N55 PolarHBondContact O-N 2.95Å; N55-Q58 PolarHBondContact O-N 3.45Å; N55-M59 WeakPolarHBondContact O-CG 3.43Å; N55-M59 PolarHBondContact O-N 2.91Å
56	I	89.3	Confident	79.1	Confident	11 Å²	11	71.4 Å²	71.4	6%	0.056	37%	0.37	C	S	.	.	H	α-helix	trans	-64.2	-42.1	175.6	-71	161.7	0	0	0	110.9	E52 I53 Q58 M59 I60 L98 R101 E102 L105	E52-I56 HydrophobicContact CG-CD1 3.88Å; E52-I56 WeakPolarHBondContact O-CG1 3.29Å; E52-I56 PolarHBondContact O-N 3.29Å; I53-I56 PolarHBondContact O-N 3.18Å; I56-Q58 VanDerWaalsContact C-N 3.3Å; I56-Q58 PolarHBondContact O-N 3.47Å; I56-M59 CarbonylContact O-C 3.59Å; I56-M59 WeakPolarHBondContact O-CA 3.41Å; I56-M59 WeakPolarHBondContact O-CB 3.36Å; I56-M59 PolarHBondContact O-N 3.14Å; I56-I60 HydrophobicContact CG2-CD1 3.79Å; I56-I60 HydrophobicContact CG2-CG1 4.31Å; I56-I60 WeakPolarHBondContact O-CG1 3.2Å; I56-I60 PolarHBondContact O-N 3.27Å; I56-L98 HydrophobicContact CG2-CD2 4.43Å; I56-L98 WeakPolarHBondContact CG2-O 3.14Å; I56-R101 HydrophobicContact CD1-CB 4.36Å; I56-R101 HydrophobicContact CD1-CG 3.76Å; I56-E102 HydrophobicContact CG2-CB 3.95Å; I56-L105 HydrophobicContact CD1-CD1 3.35Å
57	K	86.4	Confident	81.1	Confident	84 Å²	84	68.4 Å²	68.4	37%	0.365	33%	0.334	S	S	.	.	H	α-helix	trans	-58.4	-37.9	173.6	-77.1	171.2	176.1	174.5	0	113	I53 W54 K61 E102	I53-K57 HydrophobicContact CG2-CD 4.01Å; I53-K57 WeakPolarHBondContact O-CB 3.1Å; I53-K57 WeakPolarHBondContact O-CG 3.39Å; I53-K57 PolarHBondContact O-N 3.38Å; W54-K57 PolarHBondContact O-N 3.34Å; K57-K61 WeakPolarHBondContact O-CB 3.45Å; K57-K61 PolarHBondContact O-N 3.28Å; K57-K61 VanDerWaalsContact O-N 3.13Å; K57-E102 WeakPolarHBondContact CE-OE1 3.4Å; K57-E102 HydrophobicContact CG-CG 4.46Å; K57-E102 IonicContact NZ-OE1 2.63Å; K57-E102 PolarHBondContact NZ-OE1 2.98Å
58	Q	86.6	Confident	82.6	Confident	83 Å²	83	73.4 Å²	73.4	39%	0.388	35%	0.351	S	S	.	.	H	α-helix	trans	-68.3	-38.6	172.9	-61	-43.4	-65.3	0	0	112.3	W54 N55 I56 K61 L62	W54-Q58 HydrophobicContact CD2-CG 4.22Å; W54-Q58 HydrophobicContact CE3-CG 4.11Å; W54-Q58 HydrophobicContact CH2-CG 3.79Å; W54-Q58 HydrophobicContact CZ2-CG 3.9Å; W54-Q58 HydrophobicContact CZ3-CG 3.89Å; W54-Q58 WeakPolarHBondContact O-CG 3.45Å; W54-Q58 PolarHBondContact O-N 2.73Å; W54-Q58 VanDerWaalsContact O-N 3.07Å; N55-Q58 PolarHBondContact O-N 3.45Å; I56-Q58 VanDerWaalsContact C-N 3.3Å; I56-Q58 PolarHBondContact O-N 3.47Å; Q58-K61 PolarHBondContact O-N 2.76Å; Q58-L62 WeakPolarHBondContact O-CB 3.41Å; Q58-L62 PolarHBondContact O-N 2.63Å
59	M	81.6	Confident	83.8	Confident	90 Å²	90	70.6 Å²	70.6	44%	0.443	34%	0.337	S	S	.	.	H	α-helix	trans	-66.7	-38.2	176.4	-72.5	-60.5	-55.7	0	0	112.9	N55 I56 T63 L98	N55-M59 WeakPolarHBondContact O-CG 3.43Å; N55-M59 PolarHBondContact O-N 2.91Å; I56-M59 CarbonylContact O-C 3.59Å; I56-M59 WeakPolarHBondContact O-CA 3.41Å; I56-M59 WeakPolarHBondContact O-CB 3.36Å; I56-M59 PolarHBondContact O-N 3.14Å; M59-T63 WeakPolarHBondContact O-CB 3.5Å; M59-T63 PolarHBondContact O-N 2.81Å; M59-T63 PolarHBondContact O-OG1 2.96Å; M59-L98 HydrophobicContact CB-CD1 3.96Å; M59-L98 HydrophobicContact CB-CD2 4.08Å
60	I	90.8	Very high	84.9	Confident	12 Å²	12	67.1 Å²	67.1	6%	0.062	32%	0.322	C	S	.	.	H	α-helix	trans	-59.5	-52.9	172.7	-73.1	168.5	0	0	0	109.7	I56 L62 T63 Q64 L95 L98 Q99 E102	I56-I60 HydrophobicContact CG2-CD1 3.79Å; I56-I60 HydrophobicContact CG2-CG1 4.31Å; I56-I60 WeakPolarHBondContact O-CG1 3.2Å; I56-I60 PolarHBondContact O-N 3.27Å; I60-L62 PolarHBondContact O-N 2.93Å; I60-T63 PolarHBondContact O-N 3.34Å; I60-T63 VanDerWaalsContact O-N 3.13Å; I60-Q64 WeakPolarHBondContact O-CG 3.41Å; I60-Q64 PolarHBondContact O-N 2.69Å; I60-L95 HydrophobicContact CB-CD1 4.34Å; I60-L95 HydrophobicContact CG1-CD1 4.49Å; I60-L95 HydrophobicContact CG2-CD1 3.81Å; I60-L98 HydrophobicContact CD1-CB 4.23Å; I60-L98 HydrophobicContact CG1-CB 3.59Å; I60-L98 HydrophobicContact CG1-CD1 4.45Å; I60-Q99 HydrophobicContact CD1-CG 3.95Å; I60-Q99 HydrophobicContact CG1-CG 4.32Å; I60-Q99 HydrophobicContact CG2-CG 4.45Å; I60-E102 HydrophobicContact CD1-CB 4.16Å; I60-E102 WeakPolarHBondContact CD1-OE2 2.9Å
61	K	89.1	Confident	85.5	Confident	104 Å²	104	67.6 Å²	67.6	45%	0.452	33%	0.326	S	S	.	.	H	α-helix	trans	-58.2	-45.1	179.1	-174.6	174.4	-176.3	-70.3	0	112.7	K57 Q58 T63 Q64 E65	K57-K61 WeakPolarHBondContact O-CB 3.45Å; K57-K61 PolarHBondContact O-N 3.28Å; K57-K61 VanDerWaalsContact O-N 3.13Å; Q58-K61 PolarHBondContact O-N 2.76Å; K61-T63 VanDerWaalsContact C-N 3.32Å; K61-T63 PolarHBondContact O-N 2.61Å; K61-Q64 PolarHBondContact O-N 3.15Å; K61-E65 IonicContact NZ-OE1 3.88Å; K61-E65 PolarHBondContact NZ-OE1 3.08Å; K61-E65 WeakPolarHBondContact O-CG 3.35Å; K61-E65 PolarHBondContact O-N 3.09Å
62	L	80.7	Confident	86	Confident	77 Å²	77	71 Å²	71	40%	0.403	34%	0.342	S	S	.	.	H	α-helix	trans	-65.7	-35.6	177.4	-176.7	64.9	0	0	0	112.3	Q58 I60 H66	Q58-L62 WeakPolarHBondContact O-CB 3.41Å; Q58-L62 PolarHBondContact O-N 2.63Å; I60-L62 PolarHBondContact O-N 2.93Å; L62-H66 WeakPolarHBondContact O-CB 3.36Å; L62-H66 PolarHBondContact O-CD2 3.03Å; L62-H66 VanDerWaalsContact O-CD2 3.31Å; L62-H66 PolarHBondContact O-N 3.14Å
63	T	88.1	Confident	86.2	Confident	8 Å²	8	75 Å²	75	5%	0.049	36%	0.358	C	S	.	.	H	α-helix	trans	-69.3	-37.4	176.7	-56	0	0	0	0	111.1	M59 I60 K61 H66 L67 Y91 L95	M59-T63 WeakPolarHBondContact O-CB 3.5Å; M59-T63 PolarHBondContact O-N 2.81Å; M59-T63 PolarHBondContact O-OG1 2.96Å; I60-T63 PolarHBondContact O-N 3.34Å; I60-T63 VanDerWaalsContact O-N 3.13Å; K61-T63 VanDerWaalsContact C-N 3.32Å; K61-T63 PolarHBondContact O-N 2.61Å; T63-H66 PolarHBondContact O-N 3.34Å; T63-L67 WeakPolarHBondContact O-CB 3.3Å; T63-L67 PolarHBondContact O-N 2.9Å; T63-Y91 HydrophobicContact CG2-CD1 4.16Å; T63-Y91 WeakPolarHBondContact CG2-O 3.39Å; T63-L95 HydrophobicContact CG2-CB 3.98Å; T63-L95 HydrophobicContact CG2-CD1 4.43Å
64	Q	89.4	Confident	86.1	Confident	74 Å²	74	76.9 Å²	76.9	35%	0.346	37%	0.366	S	S	.	.	H	α-helix	trans	-64.4	-48.5	171.8	-70.9	167.7	-28	0	0	111.6	I60 K61 H66 L67 E68 L95	I60-Q64 WeakPolarHBondContact O-CG 3.41Å; I60-Q64 PolarHBondContact O-N 2.69Å; K61-Q64 PolarHBondContact O-N 3.15Å; Q64-H66 VanDerWaalsContact C-N 3.26Å; Q64-H66 PolarHBondContact O-N 3Å; Q64-L67 WeakPolarHBondContact O-CB 3.49Å; Q64-L67 PolarHBondContact O-N 3.31Å; Q64-E68 WeakPolarHBondContact O-CG 3.45Å; Q64-E68 PolarHBondContact O-N 3.38Å; Q64-L95 HydrophobicContact CG-CD1 3.8Å; Q64-L95 HydrophobicContact CG-CD2 3.86Å
65	E	90.8	Very high	85.7	Confident	87 Å²	87	72.1 Å²	72.1	41%	0.407	36%	0.363	S	S	.	.	H	α-helix	trans	-58.1	-37	175.4	-73.7	173.4	-170.5	0	0	112.5	K61 A69	K61-E65 IonicContact NZ-OE1 3.88Å; K61-E65 PolarHBondContact NZ-OE1 3.08Å; K61-E65 WeakPolarHBondContact O-CG 3.35Å; K61-E65 PolarHBondContact O-N 3.09Å; E65-A69 WeakPolarHBondContact O-CB 3.29Å; E65-A69 PolarHBondContact O-N 3.41Å; E65-A69 VanDerWaalsContact O-N 3.08Å
66	H	84.5	Confident	85.5	Confident	81 Å²	81	72.6 Å²	72.6	38%	0.375	39%	0.386	S	S	.	.	H	α-helix	trans	-68.2	-38.3	173.3	-83.4	-147.9	0	0	0	112.8	L62 T63 Q64 L70 Y91	L62-H66 WeakPolarHBondContact O-CB 3.36Å; L62-H66 PolarHBondContact O-CD2 3.03Å; L62-H66 VanDerWaalsContact O-CD2 3.31Å; L62-H66 PolarHBondContact O-N 3.14Å; T63-H66 PolarHBondContact O-N 3.34Å; Q64-H66 VanDerWaalsContact C-N 3.26Å; Q64-H66 PolarHBondContact O-N 3Å; H66-L70 PolarHBondContact O-N 3.34Å; H66-L70 VanDerWaalsContact O-N 3.08Å; H66-Y91 HydrophobicContact CB-CD1 4.5Å; H66-Y91 HydrophobicContact CB-CE1 4.24Å; H66-Y91 AromaticContact ND1-CE1 3.78Å; H66-Y91 AromaticContact ND1-CZ 3.66Å; H66-Y91 PolarHBondContact ND1-OH 3.27Å
67	L	90.5	Very high	85	Confident	21 Å²	21	76.7 Å²	76.7	11%	0.11	41%	0.405	C	S	.	.	H	α-helix	trans	-69.6	-42.6	178	-161.1	79	0	0	0	111.6	T63 Q64 L70 L71 Y88 T92	T63-L67 WeakPolarHBondContact O-CB 3.3Å; T63-L67 PolarHBondContact O-N 2.9Å; Q64-L67 WeakPolarHBondContact O-CB 3.49Å; Q64-L67 PolarHBondContact O-N 3.31Å; L67-L70 VanDerWaalsContact O-CB 3.23Å; L67-L70 WeakPolarHBondContact O-CB 3.48Å; L67-L70 PolarHBondContact O-N 3.01Å; L67-L70 VanDerWaalsContact O-N 3.15Å; L67-L71 HydrophobicContact CG-CD1 4.34Å; L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 3.26Å; L67-Y88 HydrophobicContact CD1-CD2 3.54Å; L67-Y88 HydrophobicContact CD1-CE2 3.63Å; L67-Y88 HydrophobicContact CD1-CG 4.24Å; L67-Y88 HydrophobicContact CD2-CE2 4.12Å; L67-Y88 HydrophobicContact CG-CD2 4.16Å; L67-Y88 HydrophobicContact CG-CE2 3.83Å; L67-T92 HydrophobicContact CD1-CG2 3.87Å; L67-T92 HydrophobicContact CD2-CG2 3.91Å
68	E	90.3	Very high	84.1	Confident	130 Å²	130	82 Å²	82	61%	0.607	43%	0.431	S	S	*	.	H	α-helix	trans	-60.5	-46.1	174.1	-72.8	178	179.5	0	0	111.4	Q64 L70 L71 E72	Q64-E68 WeakPolarHBondContact O-CG 3.45Å; Q64-E68 PolarHBondContact O-N 3.38Å; E68-L70 PolarHBondContact O-N 3.27Å; E68-L71 PolarHBondContact O-N 3.2Å; E68-L71 VanDerWaalsContact O-N 3.16Å; E68-E72 WeakPolarHBondContact O-CB 3.42Å; E68-E72 PolarHBondContact O-N 3.06Å
69	A	87.1	Confident	83.6	Confident	53 Å²	53	85 Å²	85	44%	0.438	45%	0.449	S	S	.	.	H	α-helix	trans	-67.2	-20.9	175.5	0	0	0	0	0	113.7	E65 K73	E65-A69 WeakPolarHBondContact O-CB 3.29Å; E65-A69 PolarHBondContact O-N 3.41Å; E65-A69 VanDerWaalsContact O-N 3.08Å; A69-K73 WeakPolarHBondContact O-CB 3.41Å
70	L	84.5	Confident	83.4	Confident	30 Å²	30	82.1 Å²	82.1	16%	0.157	44%	0.437	C	S	.	.	H	α-helix	trans	-72.8	-52.4	168.1	-126.3	77.9	0	0	0	110.1	H66 L67 E68 K73 F74 Y84 A87 Y88 Y91	H66-L70 PolarHBondContact O-N 3.34Å; H66-L70 VanDerWaalsContact O-N 3.08Å; L67-L70 VanDerWaalsContact O-CB 3.23Å; L67-L70 WeakPolarHBondContact O-CB 3.48Å; L67-L70 PolarHBondContact O-N 3.01Å; L67-L70 VanDerWaalsContact O-N 3.15Å; E68-L70 PolarHBondContact O-N 3.27Å; L70-K73 PolarHBondContact O-N 3.09Å; L70-F74 PolarHBondContact O-N 2.99Å; L70-Y84 HydrophobicContact CB-CD2 4.42Å; L70-Y84 HydrophobicContact CB-CE2 3.8Å; L70-Y84 HydrophobicContact CD2-CD2 3.69Å; L70-Y84 HydrophobicContact CD2-CE2 3.61Å; L70-Y84 HydrophobicContact CG-CD2 3.67Å; L70-Y84 HydrophobicContact CG-CE2 3.54Å; L70-Y84 WeakPolarHBondContact O-CE2 3.44Å; L70-A87 HydrophobicContact CD2-CB 4.14Å; L70-Y88 HydrophobicContact CD2-CD2 4.38Å; L70-Y91 HydrophobicContact CD1-CE2 4.37Å; L70-Y91 HydrophobicContact CD2-CD2 4.46Å
71	L	84.6	Confident	83	Confident	70 Å²	70	84.3 Å²	84.3	37%	0.366	45%	0.452	S	S	.	.	H	α-helix	trans	-63.5	-43.3	-176.9	-77.1	163.5	0	0	0	112.8	L67 E68 K73 G75 Y88	L67-L71 HydrophobicContact CG-CD1 4.34Å; L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 3.26Å; E68-L71 PolarHBondContact O-N 3.2Å; E68-L71 VanDerWaalsContact O-N 3.16Å; L71-K73 PolarHBondContact O-N 2.91Å; L71-G75 VanDerWaalsContact O-CA 3.29Å; L71-G75 WeakPolarHBondContact O-CA 3.5Å; L71-G75 PolarHBondContact O-N 2.91Å; L71-Y88 HydrophobicContact CD1-CE2 4.04Å; L71-Y88 HydrophobicContact CD2-CD2 4.49Å; L71-Y88 HydrophobicContact CD2-CE2 3.78Å; L71-Y88 HydrophobicContact CG-CD2 4.5Å; L71-Y88 HydrophobicContact CG-CE2 3.87Å
72	E	87.3	Confident	82.2	Confident	178 Å²	178	83 Å²	83	83%	0.832	46%	0.456	S	S	*	.	H	α-helix	trans	-56.7	-35	174.9	-175.3	-174.8	-158.1	0	0	111.5	E68	E68-E72 WeakPolarHBondContact O-CB 3.42Å; E68-E72 PolarHBondContact O-N 3.06Å
73	K	81.7	Confident	81.8	Confident	147 Å²	147	85.3 Å²	85.3	64%	0.639	47%	0.468	S	S	*	.	H	α-helix	trans	-89.3	-32.7	-171	-172.3	176.9	172.5	-168.5	0	114.4	A69 L70 L71	A69-K73 WeakPolarHBondContact O-CB 3.41Å; L70-K73 PolarHBondContact O-N 3.09Å; L71-K73 PolarHBondContact O-N 2.91Å
74	F	82.6	Confident	81.4	Confident	50 Å²	50	85.8 Å²	85.8	22%	0.219	47%	0.469	C	S	.	.	H	α-helix	trans	-134.3	-9.8	-174.2	-57.7	-78	0	0	0	114.8	L70 G76 E77 Y84	L70-F74 PolarHBondContact O-N 2.99Å; F74-G76 PolarHBondContact O-N 3.37Å; F74-E77 WeakPolarHBondContact O-CB 3.37Å; F74-E77 PolarHBondContact O-N 2.95Å; F74-Y84 HydrophobicContact CB-CD1 4.3Å; F74-Y84 HydrophobicContact CB-CD2 3.6Å; F74-Y84 HydrophobicContact CB-CE1 4.34Å; F74-Y84 HydrophobicContact CB-CE2 3.64Å; F74-Y84 HydrophobicContact CB-CG 3.93Å; F74-Y84 AromaticContact CD2-CD2 3.42Å; F74-Y84 HydrophobicContact CD2-CD2 3.42Å; F74-Y84 VanDerWaalsContact CD2-CD2 3.42Å; F74-Y84 AromaticContact CD2-CE2 3.96Å; F74-Y84 HydrophobicContact CD2-CE2 3.96Å; F74-Y84 HydrophobicContact CD2-CG 4.16Å; F74-Y84 HydrophobicContact CE2-CD2 4.3Å; F74-Y84 AromaticContact CG-CD2 3.81Å; F74-Y84 HydrophobicContact CG-CD2 3.81Å; F74-Y84 HydrophobicContact CG-CE2 4.25Å; F74-Y84 HydrophobicContact CG-CG 4.21Å
75	G	73	Confident	81.1	Confident	50 Å²	50	86 Å²	86	52%	0.515	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-9.5	-176	0	0	0	0	0	115.3	L71	L71-G75 VanDerWaalsContact O-CA 3.29Å; L71-G75 WeakPolarHBondContact O-CA 3.5Å; L71-G75 PolarHBondContact O-N 2.91Å
76	G	77.3	Confident	80.8	Confident	85 Å²	85	87.1 Å²	87.1	88%	0.876	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	0.2	171.2	0	0	0	0	0	115.1	F74	F74-G76 PolarHBondContact O-N 3.37Å
77	E	77.4	Confident	80.7	Confident	96 Å²	96	84.5 Å²	84.5	45%	0.449	47%	0.469	S	S	.	.			trans	-81.4	129.7	178.8	-65.5	-168.3	158.4	0	0	111.4	F74 N79 P80	F74-E77 WeakPolarHBondContact O-CB 3.37Å; F74-E77 PolarHBondContact O-N 2.95Å; E77-N79 PolarHBondContact O-N 3.22Å; E77-P80 HydrophobicContact CB-CB 4.32Å
78	H	69	Low	80.7	Confident	197 Å²	197	87.1 Å²	87.1	91%	0.912	48%	0.478	S	S	*	.	S	Bend	trans	-69	-12.4	-179.5	-163.6	-52.3	0	0	0	113.3
79	N	74.7	Confident	80.7	Confident	145 Å²	145	87 Å²	87	78%	0.775	48%	0.478	S	S	*	.	S	Bend	trans	-156.9	76.7	176.3	-171.8	91.8	0	0	0	109.9	E77	E77-N79 PolarHBondContact O-N 3.22Å
80	P	77.5	Confident	80.8	Confident	29 Å²	29	89.6 Å²	89.6	19%	0.188	48%	0.481	C	S	.	.			trans	-69.9	159.3	-173.7	30.6	-35.9	0	0	0	112.1	E77 Y84 L85	E77-P80 HydrophobicContact CB-CB 4.32Å; P80-Y84 HydrophobicContact CB-CD1 3.63Å; P80-Y84 HydrophobicContact CB-CE1 4.21Å; P80-Y84 HydrophobicContact CB-CG 4.32Å; P80-Y84 HydrophobicContact CG-CD1 3.91Å; P80-Y84 HydrophobicContact CG-CE1 4.24Å; P80-L85 HydrophobicContact CG-CD2 4Å; P80-L85 HydrophobicContact CG-CG 4.28Å
81	P	82.2	Confident	81.1	Confident	58 Å²	58	91 Å²	91	38%	0.377	48%	0.484	S	S	.	.			trans	-59.4	146.3	177.2	-24.4	34.9	0	0	0	112.9	I83 Y84 L85	P81-I83 VanDerWaalsContact C-N 3.27Å; P81-I83 HydrophobicContact CB-CG2 3.88Å; P81-I83 PolarHBondContact O-N 2.97Å; P81-Y84 VanDerWaalsContact O-CB 3.3Å; P81-Y84 WeakPolarHBondContact O-CB 3.38Å; P81-Y84 PolarHBondContact O-N 2.96Å; P81-L85 PolarHBondContact O-N 2.9Å
82	S	72.1	Confident	81.3	Confident	76 Å²	76	89.5 Å²	89.5	53%	0.531	48%	0.478	S	S	.	.	H	α-helix	trans	-59.6	-38.6	179	75.7	0	0	0	0	112.3	Y84 L85 E86	S82-Y84 PolarHBondContact O-N 3.34Å; S82-Y84 VanDerWaalsContact O-N 3.09Å; S82-L85 CarbonylContact O-C 3.5Å; S82-L85 WeakPolarHBondContact O-CA 3.47Å; S82-L85 WeakPolarHBondContact O-CB 3.09Å; S82-L85 PolarHBondContact O-N 3.44Å; S82-E86 WeakPolarHBondContact CB-OE1 3.49Å; S82-E86 WeakPolarHBondContact O-CB 3.24Å; S82-E86 VanDerWaalsContact O-CG 3.29Å; S82-E86 WeakPolarHBondContact O-CG 3.45Å; S82-E86 PolarHBondContact O-N 2.87Å; S82-E86 PolarHBondContact OG-OE1 2.93Å
83	I	72.7	Confident	81.6	Confident	127 Å²	127	84.9 Å²	84.9	65%	0.651	47%	0.466	S	S	*	.	H	α-helix	trans	-58.1	-22.2	173.7	-168.6	168.8	0	0	0	114	P81 E86 A87	P81-I83 VanDerWaalsContact C-N 3.27Å; P81-I83 HydrophobicContact CB-CG2 3.88Å; P81-I83 PolarHBondContact O-N 2.97Å; I83-E86 PolarHBondContact N-OE1 3.07Å; I83-A87 VanDerWaalsContact O-CB 3.25Å; I83-A87 WeakPolarHBondContact O-CB 3.4Å; I83-A87 PolarHBondContact O-N 3.29Å
84	Y	80.9	Confident	82	Confident	18 Å²	18	82.1 Å²	82.1	7%	0.071	45%	0.454	C	S	.	.	H	α-helix	trans	-76.4	-45.5	169.2	164.2	-95.5	0	0	0	111.2	L70 F74 P80 P81 S82 A87 Y88	L70-Y84 HydrophobicContact CB-CD2 4.42Å; L70-Y84 HydrophobicContact CB-CE2 3.8Å; L70-Y84 HydrophobicContact CD2-CD2 3.69Å; L70-Y84 HydrophobicContact CD2-CE2 3.61Å; L70-Y84 HydrophobicContact CG-CD2 3.67Å; L70-Y84 HydrophobicContact CG-CE2 3.54Å; L70-Y84 WeakPolarHBondContact O-CE2 3.44Å; F74-Y84 HydrophobicContact CB-CD1 4.3Å; F74-Y84 HydrophobicContact CB-CD2 3.6Å; F74-Y84 HydrophobicContact CB-CE1 4.34Å; F74-Y84 HydrophobicContact CB-CE2 3.64Å; F74-Y84 HydrophobicContact CB-CG 3.93Å; F74-Y84 AromaticContact CD2-CD2 3.42Å; F74-Y84 HydrophobicContact CD2-CD2 3.42Å; F74-Y84 VanDerWaalsContact CD2-CD2 3.42Å; F74-Y84 AromaticContact CD2-CE2 3.96Å; F74-Y84 HydrophobicContact CD2-CE2 3.96Å; F74-Y84 HydrophobicContact CD2-CG 4.16Å; F74-Y84 HydrophobicContact CE2-CD2 4.3Å; F74-Y84 AromaticContact CG-CD2 3.81Å; F74-Y84 HydrophobicContact CG-CD2 3.81Å; F74-Y84 HydrophobicContact CG-CE2 4.25Å; F74-Y84 HydrophobicContact CG-CG 4.21Å; P80-Y84 HydrophobicContact CB-CD1 3.63Å; P80-Y84 HydrophobicContact CB-CE1 4.21Å; P80-Y84 HydrophobicContact CB-CG 4.32Å; P80-Y84 HydrophobicContact CG-CD1 3.91Å; P80-Y84 HydrophobicContact CG-CE1 4.24Å; P81-Y84 VanDerWaalsContact O-CB 3.3Å; P81-Y84 WeakPolarHBondContact O-CB 3.38Å; P81-Y84 PolarHBondContact O-N 2.96Å; S82-Y84 PolarHBondContact O-N 3.34Å; S82-Y84 VanDerWaalsContact O-N 3.09Å; Y84-A87 PolarHBondContact O-N 2.89Å; Y84-Y88 VanDerWaalsContact O-CB 3.28Å; Y84-Y88 WeakPolarHBondContact O-CB 3.27Å; Y84-Y88 PolarHBondContact O-N 3.23Å
85	L	81.5	Confident	82.5	Confident	77 Å²	77	80.7 Å²	80.7	40%	0.403	45%	0.448	S	S	.	.	H	α-helix	trans	-64.6	-46.9	178.3	-61.2	173.4	0	0	0	111.4	P80 P81 S82 A87 Y88 E89	P80-L85 HydrophobicContact CG-CD2 4Å; P80-L85 HydrophobicContact CG-CG 4.28Å; P81-L85 PolarHBondContact O-N 2.9Å; S82-L85 CarbonylContact O-C 3.5Å; S82-L85 WeakPolarHBondContact O-CA 3.47Å; S82-L85 WeakPolarHBondContact O-CB 3.09Å; S82-L85 PolarHBondContact O-N 3.44Å; L85-A87 VanDerWaalsContact C-N 3.32Å; L85-A87 PolarHBondContact O-N 2.84Å; L85-Y88 WeakPolarHBondContact O-CB 3.27Å; L85-Y88 PolarHBondContact O-N 3.27Å; L85-Y88 VanDerWaalsContact O-N 3.12Å; L85-E89 WeakPolarHBondContact O-CB 3.11Å; L85-E89 WeakPolarHBondContact O-CG 3.48Å; L85-E89 PolarHBondContact O-N 2.89Å
86	E	84.6	Confident	83.5	Confident	112 Å²	112	82.6 Å²	82.6	52%	0.523	45%	0.446	S	S	.	.	H	α-helix	trans	-56.3	-43.8	174.6	-67.5	159.6	-132.4	0	0	111.5	S82 I83 E90	S82-E86 WeakPolarHBondContact CB-OE1 3.49Å; S82-E86 WeakPolarHBondContact O-CB 3.24Å; S82-E86 VanDerWaalsContact O-CG 3.29Å; S82-E86 WeakPolarHBondContact O-CG 3.45Å; S82-E86 PolarHBondContact O-N 2.87Å; S82-E86 PolarHBondContact OG-OE1 2.93Å; I83-E86 PolarHBondContact N-OE1 3.07Å; E86-E90 PolarHBondContact O-N 3.23Å
87	A	83.9	Confident	84.1	Confident	25 Å²	25	81.4 Å²	81.4	21%	0.207	43%	0.428	C	S	.	.	H	α-helix	trans	-71.5	-35.3	176.1	0	0	0	0	0	112.7	L70 I83 Y84 L85 E90 Y91	L70-A87 HydrophobicContact CD2-CB 4.14Å; I83-A87 VanDerWaalsContact O-CB 3.25Å; I83-A87 WeakPolarHBondContact O-CB 3.4Å; I83-A87 PolarHBondContact O-N 3.29Å; Y84-A87 PolarHBondContact O-N 2.89Å; L85-A87 VanDerWaalsContact C-N 3.32Å; L85-A87 PolarHBondContact O-N 2.84Å; A87-E90 PolarHBondContact O-N 3.36Å; A87-Y91 HydrophobicContact CB-CD2 4.48Å; A87-Y91 HydrophobicContact CB-CE2 4.44Å; A87-Y91 WeakPolarHBondContact O-CB 3.43Å; A87-Y91 WeakPolarHBondContact O-CD2 3.28Å; A87-Y91 PolarHBondContact O-N 2.77Å
88	Y	89.6	Confident	84.8	Confident	77 Å²	77	78.2 Å²	78.2	30%	0.302	41%	0.414	S	S	.	.	H	α-helix	trans	-65.6	-44.2	175.6	-174.5	-92.4	0	0	0	111.1	L67 L70 L71 Y84 L85 Y91 T92	L67-Y88 HydrophobicContact CD1-CD2 3.54Å; L67-Y88 HydrophobicContact CD1-CE2 3.63Å; L67-Y88 HydrophobicContact CD1-CG 4.24Å; L67-Y88 HydrophobicContact CD2-CE2 4.12Å; L67-Y88 HydrophobicContact CG-CD2 4.16Å; L67-Y88 HydrophobicContact CG-CE2 3.83Å; L70-Y88 HydrophobicContact CD2-CD2 4.38Å; L71-Y88 HydrophobicContact CD1-CE2 4.04Å; L71-Y88 HydrophobicContact CD2-CD2 4.49Å; L71-Y88 HydrophobicContact CD2-CE2 3.78Å; L71-Y88 HydrophobicContact CG-CD2 4.5Å; L71-Y88 HydrophobicContact CG-CE2 3.87Å; Y84-Y88 VanDerWaalsContact O-CB 3.28Å; Y84-Y88 WeakPolarHBondContact O-CB 3.27Å; Y84-Y88 PolarHBondContact O-N 3.23Å; L85-Y88 WeakPolarHBondContact O-CB 3.27Å; L85-Y88 PolarHBondContact O-N 3.27Å; L85-Y88 VanDerWaalsContact O-N 3.12Å; Y88-Y91 PolarHBondContact O-N 3.04Å; Y88-T92 HydrophobicContact CD1-CG2 4.23Å; Y88-T92 HydrophobicContact CE1-CG2 3.83Å; Y88-T92 HydrophobicContact CE2-CG2 4.49Å; Y88-T92 WeakPolarHBondContact O-CB 3.36Å; Y88-T92 WeakPolarHBondContact O-CG2 3.2Å; Y88-T92 PolarHBondContact O-N 3.28Å; Y88-T92 PolarHBondContact O-OG1 2.92Å
89	E	89.8	Confident	85.9	Confident	128 Å²	128	72.7 Å²	72.7	60%	0.598	39%	0.388	S	S	*	.	H	α-helix	trans	-64.1	-41.6	173.6	-71.7	175.1	-168.3	0	0	111.8	L85 T92 S93	L85-E89 WeakPolarHBondContact O-CB 3.11Å; L85-E89 WeakPolarHBondContact O-CG 3.48Å; L85-E89 PolarHBondContact O-N 2.89Å; E89-T92 WeakPolarHBondContact CA-OG1 3.46Å; E89-T92 PolarHBondContact O-OG1 3.04Å; E89-S93 WeakPolarHBondContact O-CB 3.38Å; E89-S93 PolarHBondContact O-N 3.18Å
90	E	89.7	Confident	86.7	Confident	107 Å²	107	71.3 Å²	71.3	50%	0.5	38%	0.377	S	S	.	.	H	α-helix	trans	-62	-49.7	173	-163.7	-157.6	139.5	0	0	111.3	E86 A87 K94	E86-E90 PolarHBondContact O-N 3.23Å; A87-E90 PolarHBondContact O-N 3.36Å; E90-K94 WeakPolarHBondContact O-CB 3.46Å; E90-K94 PolarHBondContact O-N 3.05Å; E90-K94 IonicContact OE1-NZ 3.49Å; E90-K94 PolarHBondContact OE1-NZ 3.41Å
91	Y	90.2	Very high	87.3	Confident	58 Å²	58	76.1 Å²	76.1	23%	0.227	39%	0.392	C	S	.	.	H	α-helix	trans	-68.3	-36.8	-177	-75.3	-55.5	0	0	0	113	T63 H66 L70 A87 Y88 L95	T63-Y91 HydrophobicContact CG2-CD1 4.16Å; T63-Y91 WeakPolarHBondContact CG2-O 3.39Å; H66-Y91 HydrophobicContact CB-CD1 4.5Å; H66-Y91 HydrophobicContact CB-CE1 4.24Å; H66-Y91 AromaticContact ND1-CE1 3.78Å; H66-Y91 AromaticContact ND1-CZ 3.66Å; H66-Y91 PolarHBondContact ND1-OH 3.27Å; L70-Y91 HydrophobicContact CD1-CE2 4.37Å; L70-Y91 HydrophobicContact CD2-CD2 4.46Å; A87-Y91 HydrophobicContact CB-CD2 4.48Å; A87-Y91 HydrophobicContact CB-CE2 4.44Å; A87-Y91 WeakPolarHBondContact O-CB 3.43Å; A87-Y91 WeakPolarHBondContact O-CD2 3.28Å; A87-Y91 PolarHBondContact O-N 2.77Å; Y88-Y91 PolarHBondContact O-N 3.04Å; Y91-L95 VanDerWaalsContact O-CB 3.29Å; Y91-L95 WeakPolarHBondContact O-CB 3.15Å; Y91-L95 PolarHBondContact O-N 2.92Å
92	T	90.1	Very high	87.8	Confident	40 Å²	40	75.3 Å²	75.3	25%	0.245	38%	0.383	C	S	.	.	H	α-helix	trans	-68.3	-48.5	174	47.1	0	0	0	0	111.9	L67 Y88 E89 K94 L95 D96	L67-T92 HydrophobicContact CD1-CG2 3.87Å; L67-T92 HydrophobicContact CD2-CG2 3.91Å; Y88-T92 HydrophobicContact CD1-CG2 4.23Å; Y88-T92 HydrophobicContact CE1-CG2 3.83Å; Y88-T92 HydrophobicContact CE2-CG2 4.49Å; Y88-T92 WeakPolarHBondContact O-CB 3.36Å; Y88-T92 WeakPolarHBondContact O-CG2 3.2Å; Y88-T92 PolarHBondContact O-N 3.28Å; Y88-T92 PolarHBondContact O-OG1 2.92Å; E89-T92 WeakPolarHBondContact CA-OG1 3.46Å; E89-T92 PolarHBondContact O-OG1 3.04Å; T92-K94 PolarHBondContact O-N 3.39Å; T92-L95 WeakPolarHBondContact O-CB 3.24Å; T92-L95 PolarHBondContact O-N 3.35Å; T92-L95 VanDerWaalsContact O-N 3.08Å; T92-D96 PolarHBondContact O-N 3.26Å
93	S	92.8	Very high	88.6	Confident	81 Å²	81	76.6 Å²	76.6	57%	0.566	38%	0.381	S	S	*	.	H	α-helix	trans	-58.7	-37.4	176.2	-178.4	0	0	0	0	112.3	E89 A97	E89-S93 WeakPolarHBondContact O-CB 3.38Å; E89-S93 PolarHBondContact O-N 3.18Å; S93-A97 WeakPolarHBondContact O-CB 3.49Å; S93-A97 PolarHBondContact O-N 2.92Å
94	K	90.3	Very high	89.3	Confident	89 Å²	89	76.1 Å²	76.1	39%	0.387	38%	0.376	S	S	.	.	H	α-helix	trans	-72.2	-33.5	176.5	-168.1	179.5	-141.8	152	0	112.8	E90 T92 L98	E90-K94 WeakPolarHBondContact O-CB 3.46Å; E90-K94 PolarHBondContact O-N 3.05Å; E90-K94 IonicContact OE1-NZ 3.49Å; E90-K94 PolarHBondContact OE1-NZ 3.41Å; T92-K94 PolarHBondContact O-N 3.39Å; K94-L98 WeakPolarHBondContact O-CB 3.37Å; K94-L98 WeakPolarHBondContact O-CD1 3.35Å; K94-L98 VanDerWaalsContact O-CG 3.23Å; K94-L98 WeakPolarHBondContact O-CG 3.42Å; K94-L98 PolarHBondContact O-N 2.91Å
95	L	93.1	Very high	89.4	Confident	19 Å²	19	76.4 Å²	76.4	10%	0.099	38%	0.378	C	S	.	.	H	α-helix	trans	-65.8	-48.7	173.6	-178	60.3	0	0	0	110.8	I60 T63 Q64 Y91 T92 A97 L98 Q99	I60-L95 HydrophobicContact CB-CD1 4.34Å; I60-L95 HydrophobicContact CG1-CD1 4.49Å; I60-L95 HydrophobicContact CG2-CD1 3.81Å; T63-L95 HydrophobicContact CG2-CB 3.98Å; T63-L95 HydrophobicContact CG2-CD1 4.43Å; Q64-L95 HydrophobicContact CG-CD1 3.8Å; Q64-L95 HydrophobicContact CG-CD2 3.86Å; Y91-L95 VanDerWaalsContact O-CB 3.29Å; Y91-L95 WeakPolarHBondContact O-CB 3.15Å; Y91-L95 PolarHBondContact O-N 2.92Å; T92-L95 WeakPolarHBondContact O-CB 3.24Å; T92-L95 PolarHBondContact O-N 3.35Å; T92-L95 VanDerWaalsContact O-N 3.08Å; L95-A97 VanDerWaalsContact C-N 3.35Å; L95-A97 PolarHBondContact O-N 2.91Å; L95-L98 PolarHBondContact O-N 2.86Å; L95-Q99 HydrophobicContact CD1-CG 4.47Å; L95-Q99 WeakPolarHBondContact O-CG 3.42Å; L95-Q99 PolarHBondContact O-N 3.17Å
96	D	93.1	Very high	89.5	Confident	91 Å²	91	75.9 Å²	75.9	49%	0.487	38%	0.375	S	S	.	.	H	α-helix	trans	-56.8	-47	174.3	-82.3	19.3	0	0	0	111.4	T92 L98 Q99 Q100	T92-D96 PolarHBondContact O-N 3.26Å; D96-L98 VanDerWaalsContact C-N 3.32Å; D96-L98 PolarHBondContact O-N 3.17Å; D96-Q99 PolarHBondContact O-N 2.76Å; D96-Q100 WeakPolarHBondContact O-CB 3.48Å; D96-Q100 WeakPolarHBondContact O-CG 3.45Å; D96-Q100 PolarHBondContact O-N 3.44Å
97	A	91.6	Very high	89.5	Confident	59 Å²	59	75.5 Å²	75.5	49%	0.488	37%	0.374	S	S	.	.	H	α-helix	trans	-63.4	-35	178.9	0	0	0	0	0	113.1	S93 L95 R101	S93-A97 WeakPolarHBondContact O-CB 3.49Å; S93-A97 PolarHBondContact O-N 2.92Å; L95-A97 VanDerWaalsContact C-N 3.35Å; L95-A97 PolarHBondContact O-N 2.91Å; A97-R101 PolarHBondContact O-N 2.97Å
98	L	91.6	Very high	89.1	Confident	30 Å²	30	76.8 Å²	76.8	16%	0.157	38%	0.384	C	S	.	.	H	α-helix	trans	-71.6	-42.2	174.3	-73.8	166.9	0	0	0	111.8	I56 M59 I60 K94 L95 D96 R101 E102	I56-L98 HydrophobicContact CG2-CD2 4.43Å; I56-L98 WeakPolarHBondContact CG2-O 3.14Å; M59-L98 HydrophobicContact CB-CD1 3.96Å; M59-L98 HydrophobicContact CB-CD2 4.08Å; I60-L98 HydrophobicContact CD1-CB 4.23Å; I60-L98 HydrophobicContact CG1-CB 3.59Å; I60-L98 HydrophobicContact CG1-CD1 4.45Å; K94-L98 WeakPolarHBondContact O-CB 3.37Å; K94-L98 WeakPolarHBondContact O-CD1 3.35Å; K94-L98 VanDerWaalsContact O-CG 3.23Å; K94-L98 WeakPolarHBondContact O-CG 3.42Å; K94-L98 PolarHBondContact O-N 2.91Å; L95-L98 PolarHBondContact O-N 2.86Å; D96-L98 VanDerWaalsContact C-N 3.32Å; D96-L98 PolarHBondContact O-N 3.17Å; L98-R101 PolarHBondContact O-N 3.05Å; L98-E102 PolarHBondContact O-N 3.38Å
99	Q	92.1	Very high	88.2	Confident	80 Å²	80	76.6 Å²	76.6	37%	0.374	39%	0.387	S	S	.	.	H	α-helix	trans	-65	-40	176.9	-73	178.3	-6.1	0	0	112.1	I60 L95 D96 R101 E102 Q103	I60-Q99 HydrophobicContact CD1-CG 3.95Å; I60-Q99 HydrophobicContact CG1-CG 4.32Å; I60-Q99 HydrophobicContact CG2-CG 4.45Å; L95-Q99 HydrophobicContact CD1-CG 4.47Å; L95-Q99 WeakPolarHBondContact O-CG 3.42Å; L95-Q99 PolarHBondContact O-N 3.17Å; D96-Q99 PolarHBondContact O-N 2.76Å; Q99-R101 VanDerWaalsContact C-N 3.33Å; Q99-R101 PolarHBondContact O-N 3.35Å; Q99-E102 WeakPolarHBondContact O-CB 3.4Å; Q99-E102 PolarHBondContact O-N 3.06Å; Q99-Q103 PolarHBondContact O-N 3.25Å
100	Q	91.7	Very high	86.9	Confident	116 Å²	116	72.9 Å²	72.9	54%	0.542	38%	0.383	S	S	.	.	H	α-helix	trans	-62.6	-38.5	172.5	-72.1	176.7	25	0	0	112	D96 Q103 Q104	D96-Q100 WeakPolarHBondContact O-CB 3.48Å; D96-Q100 WeakPolarHBondContact O-CG 3.45Å; D96-Q100 PolarHBondContact O-N 3.44Å; Q100-Q103 PolarHBondContact O-N 3.31Å; Q100-Q104 WeakPolarHBondContact O-CB 3.27Å; Q100-Q104 VanDerWaalsContact O-CG 3.23Å; Q100-Q104 WeakPolarHBondContact O-CG 3.29Å; Q100-Q104 PolarHBondContact O-N 3.46Å
101	R	89.4	Confident	85.2	Confident	130 Å²	130	74.9 Å²	74.9	49%	0.491	40%	0.397	S	S	.	.	H	α-helix	trans	-68.8	-37.5	175.1	-166.4	-176.1	179.2	117.7	-1.1	112.2	E52 I56 A97 L98 Q99 L105	E52-R101 IonicContact OE1-CZ 2.78Å; E52-R101 IonicContact OE1-NE 3.45Å; E52-R101 PolarHBondContact OE1-NE 3.23Å; E52-R101 IonicContact OE1-NH2 2.92Å; E52-R101 PolarHBondContact OE1-NH2 3.17Å; I56-R101 HydrophobicContact CD1-CB 4.36Å; I56-R101 HydrophobicContact CD1-CG 3.76Å; A97-R101 PolarHBondContact O-N 2.97Å; L98-R101 PolarHBondContact O-N 3.05Å; Q99-R101 VanDerWaalsContact C-N 3.33Å; Q99-R101 PolarHBondContact O-N 3.35Å; R101-L105 HydrophobicContact CG-CD1 4.38Å; R101-L105 WeakPolarHBondContact O-CG 3.43Å; R101-L105 PolarHBondContact O-N 3.27Å; R101-L105 VanDerWaalsContact O-N 3.14Å
102	E	92	Very high	83.1	Confident	42 Å²	42	75.1 Å²	75.1	20%	0.196	42%	0.418	C	S	.	.	H	α-helix	trans	-59.2	-50.4	172.3	-169	-169	149.9	0	0	110.7	I56 K57 I60 L98 Q99 Q104 L105 L106	I56-E102 HydrophobicContact CG2-CB 3.95Å; K57-E102 WeakPolarHBondContact CE-OE1 3.4Å; K57-E102 HydrophobicContact CG-CG 4.46Å; K57-E102 IonicContact NZ-OE1 2.63Å; K57-E102 PolarHBondContact NZ-OE1 2.98Å; I60-E102 HydrophobicContact CD1-CB 4.16Å; I60-E102 WeakPolarHBondContact CD1-OE2 2.9Å; L98-E102 PolarHBondContact O-N 3.38Å; Q99-E102 WeakPolarHBondContact O-CB 3.4Å; Q99-E102 PolarHBondContact O-N 3.06Å; E102-Q104 PolarHBondContact O-N 2.94Å; E102-L105 PolarHBondContact O-N 2.89Å; E102-L106 HydrophobicContact CG-CD1 4.06Å; E102-L106 WeakPolarHBondContact O-CG 3.48Å; E102-L106 PolarHBondContact O-N 3.26Å
103	Q	89.2	Confident	81	Confident	102 Å²	102	79.1 Å²	79.1	48%	0.477	44%	0.442	S	S	.	.	H	α-helix	trans	-59.8	-45.4	179.3	-176.9	62.8	21	0	0	111.9	Q99 Q100 L105 L106 E107	Q99-Q103 PolarHBondContact O-N 3.25Å; Q100-Q103 PolarHBondContact O-N 3.31Å; Q103-L105 VanDerWaalsContact C-N 3.31Å; Q103-L105 PolarHBondContact O-N 3.47Å; Q103-L106 PolarHBondContact O-N 3.24Å; Q103-E107 WeakPolarHBondContact CG-OE1 3.31Å; Q103-E107 PolarHBondContact NE2-OE1 3.47Å; Q103-E107 WeakPolarHBondContact O-CB 3.43Å; Q103-E107 WeakPolarHBondContact O-CG 3.5Å; Q103-E107 PolarHBondContact O-N 3.48Å
104	Q	88.1	Confident	78.3	Confident	118 Å²	118	82.7 Å²	82.7	55%	0.551	46%	0.455	S	S	*	.	H	α-helix	trans	-60	-37.9	177.3	-75.2	167.8	12.9	0	0	112.9	Q100 E102 A108	Q100-Q104 WeakPolarHBondContact O-CB 3.27Å; Q100-Q104 VanDerWaalsContact O-CG 3.23Å; Q100-Q104 WeakPolarHBondContact O-CG 3.29Å; Q100-Q104 PolarHBondContact O-N 3.46Å; E102-Q104 PolarHBondContact O-N 2.94Å; Q104-A108 VanDerWaalsContact O-CB 3.32Å; Q104-A108 WeakPolarHBondContact O-CB 3.18Å; Q104-A108 PolarHBondContact O-N 3.25Å
105	L	83.6	Confident	75.6	Confident	24 Å²	24	86.1 Å²	86.1	13%	0.126	48%	0.476	C	S	.	.	H	α-helix	trans	-73.2	-36.6	177.1	-70.8	167.1	0	0	0	112.1	E52 I53 I56 R101 E102 Q103 A108 M109	E52-L105 HydrophobicContact CB-CD1 4.27Å; E52-L105 HydrophobicContact CG-CD1 3.88Å; I53-L105 HydrophobicContact CD1-CB 3.92Å; I53-L105 HydrophobicContact CG1-CB 3.57Å; I53-L105 HydrophobicContact CG1-CD1 4.07Å; I53-L105 HydrophobicContact CG1-CG 4.44Å; I56-L105 HydrophobicContact CD1-CD1 3.35Å; R101-L105 HydrophobicContact CG-CD1 4.38Å; R101-L105 WeakPolarHBondContact O-CG 3.43Å; R101-L105 PolarHBondContact O-N 3.27Å; R101-L105 VanDerWaalsContact O-N 3.14Å; E102-L105 PolarHBondContact O-N 2.89Å; Q103-L105 VanDerWaalsContact C-N 3.31Å; Q103-L105 PolarHBondContact O-N 3.47Å; L105-A108 PolarHBondContact O-N 3.14Å; L105-M109 WeakPolarHBondContact O-CG 2.98Å; L105-M109 PolarHBondContact O-N 3.25Å
106	L	82.9	Confident	72.5	Confident	65 Å²	65	90.9 Å²	90.9	34%	0.34	51%	0.511	S	S	.	.	H	α-helix	trans	-65.3	-42.7	173.7	-68.9	167.8	0	0	0	111.6	I53 E102 Q103 M109 G110	I53-L106 HydrophobicContact CD1-CD2 4.07Å; I53-L106 HydrophobicContact CD1-CG 4.46Å; I53-L106 HydrophobicContact CG2-CD2 4.46Å; E102-L106 HydrophobicContact CG-CD1 4.06Å; E102-L106 WeakPolarHBondContact O-CG 3.48Å; E102-L106 PolarHBondContact O-N 3.26Å; Q103-L106 PolarHBondContact O-N 3.24Å; L106-M109 HydrophobicContact CD2-CE 4.46Å; L106-M109 PolarHBondContact O-N 2.87Å; L106-G110 PolarHBondContact O-N 2.92Å; L106-G110 VanDerWaalsContact O-N 3.16Å
107	E	83.9	Confident	69.4	Low	105 Å²	105	91.6 Å²	91.6	49%	0.491	52%	0.522	S	S	.	.	H	α-helix	trans	-64.8	-37.5	174.4	-73	173.7	-174.3	0	0	112.3	Q103 M109 G110 N111	Q103-E107 WeakPolarHBondContact CG-OE1 3.31Å; Q103-E107 PolarHBondContact NE2-OE1 3.47Å; Q103-E107 WeakPolarHBondContact O-CB 3.43Å; Q103-E107 WeakPolarHBondContact O-CG 3.5Å; Q103-E107 PolarHBondContact O-N 3.48Å; E107-M109 VanDerWaalsContact C-N 3.29Å; E107-M109 PolarHBondContact O-N 3.39Å; E107-G110 PolarHBondContact O-N 2.88Å; E107-G110 VanDerWaalsContact O-N 3.12Å; E107-N111 PolarHBondContact O-N 2.81Å
108	A	76.1	Confident	66.2	Low	52 Å²	52	94.4 Å²	94.4	43%	0.43	53%	0.533	S	S	.	.	H	α-helix	trans	-62.6	-33.2	175.3	0	0	0	0	0	112.9	Q104 L105	Q104-A108 VanDerWaalsContact O-CB 3.32Å; Q104-A108 WeakPolarHBondContact O-CB 3.18Å; Q104-A108 PolarHBondContact O-N 3.25Å; L105-A108 PolarHBondContact O-N 3.14Å
109	M	70.6	Confident	63	Low	73 Å²	73	98.7 Å²	98.7	36%	0.36	56%	0.561	S	S	.	*	H	α-helix	trans	-75.5	-31.3	172.6	-61.3	-159	-51.5	0	0	112.6	E50 I53 L105 L106 E107	E50-M109 HydrophobicContact CG-CE 4.24Å; E50-M109 HydrophobicContact CG-SD 3.76Å; I53-M109 HydrophobicContact CD1-CE 3.66Å; I53-M109 HydrophobicContact CD1-SD 4.07Å; L105-M109 WeakPolarHBondContact O-CG 2.98Å; L105-M109 PolarHBondContact O-N 3.25Å; L106-M109 HydrophobicContact CD2-CE 4.46Å; L106-M109 PolarHBondContact O-N 2.87Å; E107-M109 VanDerWaalsContact C-N 3.29Å; E107-M109 PolarHBondContact O-N 3.39Å
110	G	62.7	Low	59.7	Low	50 Å²	50	100.1 Å²	100.1	52%	0.515	58%	0.58	S	S	.	*	H	α-helix	trans	-67.2	-34.4	178.9	0	0	0	0	0	114.4	L106 E107 G112	L106-G110 PolarHBondContact O-N 2.92Å; L106-G110 VanDerWaalsContact O-N 3.16Å; E107-G110 PolarHBondContact O-N 2.88Å; E107-G110 VanDerWaalsContact O-N 3.12Å; G110-G112 VanDerWaalsContact C-N 3.26Å; G110-G112 PolarHBondContact O-N 3.49Å
111	N	53.9	Low	57.3	Low	149 Å²	149	100.1 Å²	100.1	80%	0.797	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	5.4	-178.8	-75.1	-18.7	0	0	0	114.5	E107	E107-N111 PolarHBondContact O-N 2.81Å
112	G	45.9	Very low	54.2	Low	63 Å²	63	102.6 Å²	102.6	65%	0.649	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-11.7	-177	0	0	0	0	0	115.7	G110	G110-G112 VanDerWaalsContact C-N 3.26Å; G110-G112 PolarHBondContact O-N 3.49Å
113	T	46.3	Very low	51	Low	123 Å²	123	105.1 Å²	105.1	76%	0.755	63%	0.631	S	S	*	*			trans	-131.2	81.2	-170.6	54.2	0	0	0	0	113.5
114	D	36.8	Very low	48.1	Very low	157 Å²	157	104.9 Å²	104.9	84%	0.84	64%	0.641	S	S	*	*			trans	-156.7	163.8	153.4	-133.7	-30.1	0	0	0	113.5
115	L	33.5	Very low	45.1	Very low	161 Å²	161	106.1 Å²	106.1	84%	0.843	65%	0.651	S	S	*	*			trans	81	82.9	175.2	-59.1	165.3	0	0	0	119.5
116	S	28.2	Very low	42.5	Very low	119 Å²	119	111.2 Å²	111.2	83%	0.832	68%	0.678	S	S	*	*			trans	-160.6	105.7	133.5	-169.5	0	0	0	0	114.6
117	C	26.8	Very low	39.9	Very low	105 Å²	105	115.8 Å²	115.8	71%	0.709	70%	0.697	S	S	*	*			trans	-12	155	145.1	-61.5	0	0	0	0	119.3
118	T	25	Very low	37.2	Very low	118 Å²	118	114.7 Å²	114.7	72%	0.724	71%	0.706	S	S	*	*			cis	-169.9	163.9	5.1	12.9	0	0	0	0	113.6
119	T	24.1	Very low	34.9	Very low	120 Å²	120	120.5 Å²	120.5	74%	0.736	72%	0.722	S	S	*	*			trans	63	107.4	150.1	49.9	0	0	0	0	122.7
120	S	23.3	Very low	32.9	Very low	110 Å²	110	125.2 Å²	125.2	77%	0.769	75%	0.745	S	S	*	*				25.2	163.7	115.6	-35.3	0	0	0	0	122.4
121	P	40.6	Very low	31.2	Very low	117 Å²	117	126.4 Å²	126.4	76%	0.76	76%	0.757	S	S	*	*			cis	-141.9	172.5	6.2	44.4	-26.3	0	0	0	118.6
122	M	25.3	Very low	29.9	Very low	181 Å²	181	122.6 Å²	122.6	89%	0.892	75%	0.753	S	S	*	*			trans	51.4	120.9	141.8	-157.9	178.9	-161.6	0	0	122.9
123	S	25	Very low	28.9	Very low	95 Å²	95	127.8 Å²	127.8	66%	0.664	77%	0.766	S	S	*	*				159.9	149.8	103.9	-160.2	0	0	0	0	114.7
124	S	26.7	Very low	27.9	Very low	98 Å²	98	125 Å²	125	69%	0.685	76%	0.762	S	S	*	*			trans	18.8	149.6	150.2	61.8	0	0	0	0	121.7
125	L	25.9	Very low	27.5	Very low	144 Å²	144	124.9 Å²	124.9	75%	0.754	77%	0.766	S	S	*	*			cis	-173.1	140.9	49.1	-168.8	70.1	0	0	0	111.8
126	L	28.7	Very low	27.1	Very low	131 Å²	131	120.9 Å²	120.9	69%	0.686	76%	0.763	S	S	*	*			trans	31.6	150.8	147.9	-52	173.8	0	0	0	121.4
127	E	28	Very low	27	Very low	161 Å²	161	119.2 Å²	119.2	75%	0.752	77%	0.766	S	S	*	*			cis	-162.2	166.1	1.8	-127.5	169.2	153.9	0	0	112.8
128	A	27.5	Very low	26.8	Very low	82 Å²	82	117.8 Å²	117.8	68%	0.678	77%	0.768	S	S	*	*			trans	25.4	151.7	141.3	0	0	0	0	0	122.1
129	K	28.1	Very low	26.9	Very low	173 Å²	173	116.6 Å²	116.6	75%	0.752	77%	0.77	S	S	*	*			cis	-164.2	152.4	30.8	-155.3	158.5	-178.6	172.5	0	114.2
130	M	27.8	Very low	27	Very low	173 Å²	173	120 Å²	120	85%	0.852	78%	0.778	S	S	*	*			trans	4.9	147.5	153.4	-55.2	154.6	177	0	0	119.5
131	G	27.8	Very low	27.2	Very low	74 Å²	74	119.7 Å²	119.7	76%	0.763	78%	0.782	S	S	*	*			cis	-172	175.9	5.9	0	0	0	0	0	108.7
132	G	26.1	Very low	26.5	Very low	69 Å²	69	122.1 Å²	122.1	71%	0.711	79%	0.788	S	S	*	*			cis	83.7	120.4	34.1	0	0	0	0	0	109.8
133	D	25.6	Very low	27.1	Very low	173 Å²	173	118.9 Å²	118.9	93%	0.925	78%	0.78	S	S	*	*			cis	-161	165.7	1.3	-97.4	-56.4	0	0	0	111.1
134	G	25.6	Very low	27.1	Very low	65 Å²	65	119.4 Å²	119.4	67%	0.67	78%	0.784	S	S	*	*			trans	103.9	120.8	133.5	0	0	0	0	0	121.9
135	V	27	Very low	27.2	Very low	154 Å²	154	118.9 Å²	118.9	93%	0.933	79%	0.785	S	S	*	*			trans	63.9	113.3	130.6	-171.8	0	0	0	0	121
136	G	25.1	Very low	27.8	Very low	76 Å²	76	117.2 Å²	117.2	78%	0.784	78%	0.783	S	S	*	*				113.5	159.7	118.3	0	0	0	0	0	119.9
137	G	26.1	Very low	27.7	Very low	85 Å²	85	118.3 Å²	118.3	88%	0.876	79%	0.79	S	S	*	*			trans	95.4	116.7	161.9	0	0	0	0	0	116.3
138	G	24.2	Very low	27.7	Very low	74 Å²	74	115 Å²	115	76%	0.763	79%	0.785	S	S	*	*			trans	-104.8	-171	171.8	0	0	0	0	0	113.7
139	A	26.3	Very low	27.7	Very low	93 Å²	93	118.9 Å²	118.9	77%	0.769	79%	0.793	S	S	*	*			trans	70.5	148.8	179.9	0	0	0	0	0	115.3
140	Q	27.1	Very low	28.1	Very low	193 Å²	193	115.1 Å²	115.1	90%	0.902	79%	0.794	S	S	*	*			cis	-163.5	143.9	-11.3	-118	177.5	36.4	0	0	108.7
141	A	26.3	Very low	28	Very low	103 Å²	103	113.5 Å²	113.5	85%	0.851	79%	0.793	S	S	*	*			trans	-168.7	111.8	153.3	0	0	0	0	0	113.1
142	L	25.8	Very low	28.3	Very low	168 Å²	168	117.6 Å²	117.6	88%	0.88	80%	0.797	S	S	*	*			trans	-119.6	159.6	155.8	-95.4	167.3	0	0	0	105.9
143	P	38	Very low	28.3	Very low	112 Å²	112	123.4 Å²	123.4	73%	0.727	81%	0.806	S	S	*	*			cis	-138.8	-166.2	46.2	37	-13.2	0	0	0	112.5
144	S	25.9	Very low	28.4	Very low	106 Å²	106	121.4 Å²	121.4	74%	0.741	80%	0.8	S	S	*	*			cis	-152.4	152.4	12.6	-30.8	0	0	0	0	111.6
145	A	28.9	Very low	29.3	Very low	87 Å²	87	123.5 Å²	123.5	72%	0.719	80%	0.802	S	S	*	*			trans	-86.9	177.3	158.4	0	0	0	0	0	110.4
146	P	37.1	Very low	29.3	Very low	109 Å²	109	123.5 Å²	123.5	71%	0.708	80%	0.802	S	S	*	*				-149.5	147.7	86.2	38.4	-21.1	0	0	0	117.4
147	N	26.8	Very low	29.4	Very low	154 Å²	154	126.6 Å²	126.6	82%	0.824	80%	0.801	S	S	*	*			trans	58.8	154.6	136.9	-63.6	-6.8	0	0	0	123.1
148	S	27.8	Very low	29.5	Very low	93 Å²	93	128.6 Å²	128.6	65%	0.65	80%	0.796	S	S	*	*			cis	-173	167.2	-34.4	-151.5	0	0	0	0	111.1
149	L	28.6	Very low	29.7	Very low	163 Å²	163	128.7 Å²	128.7	85%	0.853	80%	0.798	S	S	*	*			trans	68.5	144.1	155.7	-75	162.4	0	0	0	120.5
150	A	35.6	Very low	30.2	Very low	93 Å²	93	136.7 Å²	136.7	77%	0.769	81%	0.808	S	S	*	*			trans	-124.3	155.2	168	0	0	0	0	0	109.6
151	V	26.4	Very low	30.5	Very low	139 Å²	139	132.2 Å²	132.2	84%	0.842	80%	0.803	S	S	*	*			trans	-141	140.2	173.2	-179.6	0	0	0	0	109.4
152	L	34.6	Very low	30.8	Very low	160 Å²	160	134.4 Å²	134.4	84%	0.838	80%	0.801	S	S	*	*			trans	-96.5	132.1	172.5	-81	163.1	0	0	0	110.7
153	Q	25.6	Very low	31.5	Very low	191 Å²	191	131.7 Å²	131.7	89%	0.893	79%	0.794	S	S	*	*			trans	-170.2	159	147.8	-108.5	158.2	33.2	0	0	112.6
154	T	27.2	Very low	31.8	Very low	131 Å²	131	137.4 Å²	137.4	80%	0.804	80%	0.801	S	S	*	*			trans	-131.1	179.5	173.4	62.3	0	0	0	0	107.8
155	P	44.8	Very low	32.6	Very low	110 Å²	110	137 Å²	137	71%	0.714	80%	0.798	S	S	*	*			cis	-127.2	172.5	-13.9	40.4	-26.9	0	0	0	113.4
156	T	27.9	Very low	33.4	Very low	154 Å²	154	138.6 Å²	138.6	95%	0.945	80%	0.801	S	S	*	*			trans	-163.2	173.4	147.3	-1.6	0	0	0	0	111.2
157	D	26.4	Very low	34.4	Very low	141 Å²	141	142 Å²	142	75%	0.754	81%	0.807	S	S	*	*			trans	-125.4	164.4	-143.2	-167.8	21.4	0	0	0	116.6
158	T	28.1	Very low	36.2	Very low	126 Å²	126	142.9 Å²	142.9	77%	0.773	80%	0.804	S	S	*	*			trans	74.1	123.6	168	72.3	0	0	0	0	118.6
159	G	28.6	Very low	38.6	Very low	77 Å²	77	141.8 Å²	141.8	79%	0.794	79%	0.794	S	S	*	*			trans	-177.1	17.7	179.7	0	0	0	0	0	119.4
160	R	37.7	Very low	41.3	Very low	261 Å²	261	137.8 Å²	137.8	99%	0.985	77%	0.773	S	S	*	*			trans	29.1	88.4	173.4	-74.5	-174.8	172.6	173.9	-1.2	117.4
161	A	32.1	Very low	43.8	Very low	98 Å²	98	133.3 Å²	133.3	81%	0.81	74%	0.736	S	S	*	*			trans	-107.9	135.9	160.3	0	0	0	0	0	111.1
162	N	33.6	Very low	46.7	Very low	149 Å²	149	133.1 Å²	133.1	80%	0.797	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-75.8	127.2	-177.8	-171.7	22.2	0	0	0	110.8	R164	N162-R164 PolarHBondContact O-N 3.13Å; N162-R164 VanDerWaalsContact O-N 3.14Å
163	P	40	Very low	49.2	Very low	112 Å²	112	125.6 Å²	125.6	73%	0.727	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-62.9	117	178.7	24.7	-34.6	0	0	0	111.2	S165	P163-S165 PolarHBondContact O-N 3.19Å
164	R	44	Very low	52.1	Low	232 Å²	232	118 Å²	118	88%	0.875	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-66	121.3	172.7	-73	-178.1	174.2	177.8	-0.8	109.1	N162	N162-R164 PolarHBondContact O-N 3.13Å; N162-R164 VanDerWaalsContact O-N 3.14Å
165	S	43.1	Very low	54.7	Low	97 Å²	97	112 Å²	112	68%	0.678	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-53.2	140.7	171.7	56.2	0	0	0	0	111	P163 Q167	P163-S165 PolarHBondContact O-N 3.19Å; S165-Q167 PolarHBondContact O-N 3.14Å
166	P	46.1	Very low	55.7	Low	121 Å²	121	108.8 Å²	108.8	79%	0.786	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-56.7	126.3	179.1	23.6	-33.6	0	0	0	110.2	K168	P166-K168 PolarHBondContact O-N 3.49Å
167	Q	56.7	Low	57.3	Low	181 Å²	181	106.9 Å²	106.9	85%	0.846	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-67.4	124.3	178.3	-67.7	-169.8	-5.3	0	0	108.7	S165	S165-Q167 PolarHBondContact O-N 3.14Å
168	K	65.2	Low	58.9	Low	172 Å²	172	109.6 Å²	109.6	75%	0.748	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-65.2	133.5	176.4	-67	172.3	-177.6	170.1	0	108.1	P166 I170	P166-K168 PolarHBondContact O-N 3.49Å; K168-I170 PolarHBondContact O-N 3.38Å
169	P	79	Confident	60.8	Low	69 Å²	69	107.9 Å²	107.9	45%	0.448	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-59.9	138.8	177.2	25.6	-33.8	0	0	0	109.9	A185 T232	P169-A185 HydrophobicContact CB-CB 4.13Å; P169-A185 PolarHBondContact O-N 3.43Å; P169-T232 HydrophobicContact CB-CG2 3.5Å
170	I	85.1	Confident	63.3	Low	79 Å²	79	113.4 Å²	113.4	41%	0.405	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-141.3	151.9	-171.2	46.8	165	0	0	0	110.7	K168 V182 V183 G233	K168-I170 PolarHBondContact O-N 3.38Å; I170-V182 HydrophobicContact CB-CG1 3.64Å; I170-V182 HydrophobicContact CD1-CG1 3.84Å; I170-V182 HydrophobicContact CG1-CG1 4.31Å; I170-V182 HydrophobicContact CG2-CG1 3.74Å; I170-V183 WeakPolarHBondContact CA-O 3.46Å; I170-G233 PolarHBondContact O-N 2.72Å
171	V	87.3	Confident	65.6	Low	0 Å²	0	102.6 Å²	102.6	0%	0	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.8	172.1	-176.3	0	0	0	0	108.9	V173 V182 V183 A185 I228 L231 L236	V171-V173 HydrophobicContact CG1-CG2 4.28Å; V171-V182 WeakPolarHBondContact O-CA 3.44Å; V171-V183 HydrophobicContact CB-CG2 4.04Å; V171-V183 PolarHBondContact N-O 2.96Å; V171-V183 PolarHBondContact O-N 2.86Å; V171-A185 HydrophobicContact CG2-CB 4.06Å; V171-I228 HydrophobicContact CB-CD1 4.27Å; V171-I228 HydrophobicContact CB-CG1 4.35Å; V171-I228 HydrophobicContact CG2-CD1 4.1Å; V171-I228 HydrophobicContact CG2-CG1 3.67Å; V171-L231 HydrophobicContact CG2-CB 4.21Å; V171-L231 WeakPolarHBondContact CG2-O 3.31Å; V171-L236 HydrophobicContact CG1-CD1 3.69Å; V171-L236 HydrophobicContact CG1-CG 3.62Å
172	R	87.3	Confident	68.1	Low	135 Å²	135	101.9 Å²	101.9	51%	0.509	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	136.1	174.4	-64.1	173.6	-170.3	156.4	10	108.8	E234 E235 L236	R172-E234 PolarHBondContact N-O 3.17Å; R172-E235 HydrophobicContact CB-CG 4.19Å; R172-E235 WeakPolarHBondContact CD-OE1 3.44Å; R172-E235 IonicContact CZ-OE1 2.67Å; R172-E235 IonicContact NE-OE1 3.62Å; R172-E235 IonicContact NH1-OE1 3.72Å; R172-E235 PolarHBondContact NH1-OE1 2.84Å; R172-L236 PolarHBondContact O-N 3.46Å
173	V	88	Confident	70.6	Confident	1 Å²	1	95.1 Å²	95.1	1%	0.006	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	117.9	-173.2	-171.1	0	0	0	0	109.8	V171 L175 R180 T181 V183 L195 L236 V238	V171-V173 HydrophobicContact CG1-CG2 4.28Å; V173-L175 HydrophobicContact CG1-CD2 4.09Å; V173-L175 HydrophobicContact CG1-CG 4.49Å; V173-R180 CarbonylContact O-C 3.59Å; V173-T181 HydrophobicContact CB-CG2 3.83Å; V173-T181 HydrophobicContact CG1-CG2 4.47Å; V173-T181 PolarHBondContact N-O 3.03Å; V173-T181 PolarHBondContact O-N 3.21Å; V173-V183 HydrophobicContact CG2-CG2 3.82Å; V173-L195 HydrophobicContact CB-CD2 4.25Å; V173-L195 HydrophobicContact CG1-CD2 3.73Å; V173-L195 HydrophobicContact CG2-CD2 3.79Å; V173-L236 CarbonylContact C-O 3.56Å; V173-L236 WeakPolarHBondContact CA-O 3.5Å; V173-L236 HydrophobicContact CG1-CB 4.33Å; V173-L236 HydrophobicContact CG2-CB 4.35Å; V173-V238 HydrophobicContact CG1-CG2 3.66Å
174	F	86.5	Confident	72.8	Confident	32 Å²	32	92.7 Å²	92.7	14%	0.14	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	133.4	168.8	-67.3	-110.4	0	0	0	108.3	Q179 R180 E235 L236 H237 V238	F174-Q179 WeakPolarHBondContact CA-O 3.31Å; F174-R180 HydrophobicContact CD1-CG 3.88Å; F174-R180 HydrophobicContact CE1-CG 3.75Å; F174-R180 HydrophobicContact CG-CG 4.44Å; F174-R180 HydrophobicContact CZ-CG 4.19Å; F174-E235 HydrophobicContact CE2-CB 4.25Å; F174-E235 VanDerWaalsContact CE2-OE2 3.26Å; F174-E235 WeakPolarHBondContact CE2-OE2 3.3Å; F174-L236 PolarHBondContact N-O 3.16Å; F174-H237 AromaticContact CD1-NE2 3.67Å; F174-H237 AromaticContact CD2-CE1 3.28Å; F174-H237 WeakPolarHBondContact CD2-CE1 3.19Å; F174-H237 AromaticContact CD2-ND1 3.8Å; F174-H237 AromaticContact CD2-NE2 3.76Å; F174-H237 AromaticContact CE2-CE1 3.76Å; F174-H237 AromaticContact CG-CE1 3.45Å; F174-H237 VanDerWaalsContact CG-CE1 3.45Å; F174-H237 WeakPolarHBondContact CG-CE1 3.38Å; F174-H237 AromaticContact CG-NE2 3.4Å; F174-H237 WeakPolarHBondContact CG-NE2 3.04Å; F174-V238 PolarHBondContact O-N 3.37Å
175	L	81.8	Confident	74.7	Confident	5 Å²	5	81.9 Å²	81.9	3%	0.026	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	156.7	-177.4	-65.1	170.9	0	0	0	109.6	V173 N177 K178 Q179 T181 A198 L199 R202 V238	V173-L175 HydrophobicContact CG1-CD2 4.09Å; V173-L175 HydrophobicContact CG1-CG 4.49Å; L175-N177 PolarHBondContact O-N 3.03Å; L175-K178 PolarHBondContact O-N 2.88Å; L175-Q179 PolarHBondContact N-O 2.87Å; L175-Q179 PolarHBondContact O-N 3.31Å; L175-T181 HydrophobicContact CD1-CG2 3.71Å; L175-T181 HydrophobicContact CG-CG2 4.21Å; L175-A198 HydrophobicContact CD1-CB 4.39Å; L175-L199 HydrophobicContact CD2-CD2 4.01Å; L175-R202 VanDerWaalsContact CD1-CZ 3.44Å; L175-V238 HydrophobicContact CD2-CB 4.06Å; L175-V238 HydrophobicContact CD2-CG2 3.97Å
176	P	66.4	Low	76.6	Confident	42 Å²	42	85 Å²	85	27%	0.273	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-26.7	-163.7	-29.7	34.4	0	0	0	116.3	K178 L204 V238 V240	P176-K178 PolarHBondContact O-N 2.96Å; P176-K178 VanDerWaalsContact O-N 3.14Å; P176-L204 HydrophobicContact CG-CD1 3.81Å; P176-V238 WeakPolarHBondContact CD-O 3.17Å; P176-V238 VanDerWaalsContact CG-O 3.3Å; P176-V238 WeakPolarHBondContact CG-O 3.29Å; P176-V240 HydrophobicContact CB-CG2 3.8Å; P176-V240 HydrophobicContact CG-CG2 3.62Å
177	N	60.7	Low	78.2	Confident	115 Å²	115	84.7 Å²	84.7	62%	0.615	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	29.9	179.3	-60.6	0.6	0	0	0	113.1	L175 Q179	L175-N177 PolarHBondContact O-N 3.03Å; N177-Q179 HydrophobicContact CB-CG 4.42Å; N177-Q179 PolarHBondContact O-N 3.48Å
178	K	60	Low	79.3	Confident	197 Å²	197	79.5 Å²	79.5	86%	0.857	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	18.1	-173	-54.2	-176.4	-176.7	-177.4	0	114.5	L175 P176	L175-K178 PolarHBondContact O-N 2.88Å; P176-K178 PolarHBondContact O-N 2.96Å; P176-K178 VanDerWaalsContact O-N 3.14Å
179	Q	68.6	Low	80.2	Confident	90 Å²	90	73.9 Å²	73.9	42%	0.421	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	144.9	179.9	-71	-173.1	-1.6	0	0	111	F174 L175 N177	F174-Q179 WeakPolarHBondContact CA-O 3.31Å; L175-Q179 PolarHBondContact N-O 2.87Å; L175-Q179 PolarHBondContact O-N 3.31Å; N177-Q179 HydrophobicContact CB-CG 4.42Å; N177-Q179 PolarHBondContact O-N 3.48Å
180	R	79.6	Confident	80.7	Confident	193 Å²	193	72 Å²	72	73%	0.728	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	138.2	175.2	-51.2	-176.5	-163.9	-163.4	1	109.6	V173 F174	V173-R180 CarbonylContact O-C 3.59Å; F174-R180 HydrophobicContact CD1-CG 3.88Å; F174-R180 HydrophobicContact CE1-CG 3.75Å; F174-R180 HydrophobicContact CG-CG 4.44Å; F174-R180 HydrophobicContact CZ-CG 4.19Å
181	T	85.6	Confident	80.7	Confident	34 Å²	34	68.2 Å²	68.2	21%	0.209	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	162.8	168.5	-164.1	0	0	0	0	109.5	V173 L175 V183 A198	V173-T181 HydrophobicContact CB-CG2 3.83Å; V173-T181 HydrophobicContact CG1-CG2 4.47Å; V173-T181 PolarHBondContact N-O 3.03Å; V173-T181 PolarHBondContact O-N 3.21Å; L175-T181 HydrophobicContact CD1-CG2 3.71Å; L175-T181 HydrophobicContact CG-CG2 4.21Å; T181-V183 HydrophobicContact CG2-CG1 4.47Å; T181-A198 HydrophobicContact CG2-CB 4.22Å
182	V	85.6	Confident	80.6	Confident	83 Å²	83	71.6 Å²	71.6	50%	0.503	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131.4	173.9	-178.1	0	0	0	0	107.8	I170 V171	I170-V182 HydrophobicContact CB-CG1 3.64Å; I170-V182 HydrophobicContact CD1-CG1 3.84Å; I170-V182 HydrophobicContact CG1-CG1 4.31Å; I170-V182 HydrophobicContact CG2-CG1 3.74Å; V171-V182 WeakPolarHBondContact O-CA 3.44Å
183	V	86.7	Confident	80.5	Confident	8 Å²	8	69 Å²	69	5%	0.048	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	144.2	177.8	-63.5	0	0	0	0	110.2	I170 V171 V173 T181 A185 L195 I228	I170-V183 WeakPolarHBondContact CA-O 3.46Å; V171-V183 HydrophobicContact CB-CG2 4.04Å; V171-V183 PolarHBondContact N-O 2.96Å; V171-V183 PolarHBondContact O-N 2.86Å; V173-V183 HydrophobicContact CG2-CG2 3.82Å; T181-V183 HydrophobicContact CG2-CG1 4.47Å; V183-A185 PolarHBondContact O-N 3.31Å; V183-L195 HydrophobicContact CG1-CD2 4.25Å; V183-L195 HydrophobicContact CG2-CD2 4.47Å; V183-I228 HydrophobicContact CG2-CD1 3.51Å
184	P	85.5	Confident	80.4	Confident	61 Å²	61	69.4 Å²	69.4	40%	0.396	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	128.3	177.1	30	-33.3	0	0	0	109.7
185	A	83.3	Confident	80.3	Confident	4 Å²	4	67.9 Å²	67.9	3%	0.033	36%	0.355	C	S	.	.			trans	-81.8	135	171.6	0	0	0	0	0	109.4	P169 V171 V183 I228 T232	P169-A185 HydrophobicContact CB-CB 4.13Å; P169-A185 PolarHBondContact O-N 3.43Å; V171-A185 HydrophobicContact CG2-CB 4.06Å; V183-A185 PolarHBondContact O-N 3.31Å; A185-I228 HydrophobicContact CB-CG2 4.38Å; A185-T232 WeakPolarHBondContact CB-OG1 3.47Å
186	R	84.6	Confident	80.2	Confident	164 Å²	164	72.7 Å²	72.7	62%	0.619	38%	0.375	S	S	*	.			trans	-145.4	136.1	175.3	-63.5	-172.9	-176.8	-165.2	3.3	109.5	M189	R186-M189 HydrophobicContact CB-CB 4.03Å; R186-M189 HydrophobicContact CB-SD 4.4Å; R186-M189 VanDerWaalsContact O-CB 3.3Å; R186-M189 WeakPolarHBondContact O-CB 3.44Å; R186-M189 PolarHBondContact O-N 2.59Å
187	C	79.8	Confident	80.7	Confident	113 Å²	113	78.5 Å²	78.5	76%	0.764	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	138.8	170.4	-178.3	0	0	0	0	109.8	M189	C187-M189 VanDerWaalsContact C-N 3.32Å
188	G	78.3	Confident	81.5	Confident	72 Å²	72	73.6 Å²	73.6	74%	0.742	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	9.7	-172.9	0	0	0	0	0	114.7	D227	G188-D227 WeakPolarHBondContact CA-OD2 3.45Å; G188-D227 PolarHBondContact N-OD2 2.87Å
189	M	84.1	Confident	82.3	Confident	54 Å²	54	64.2 Å²	64.2	27%	0.266	33%	0.331	S	S	.	.			trans	-114.4	125.1	179.3	-165.8	172.1	-175.7	0	0	110.8	R186 C187 D193 D227 I228	R186-M189 HydrophobicContact CB-CB 4.03Å; R186-M189 HydrophobicContact CB-SD 4.4Å; R186-M189 VanDerWaalsContact O-CB 3.3Å; R186-M189 WeakPolarHBondContact O-CB 3.44Å; R186-M189 PolarHBondContact O-N 2.59Å; C187-M189 VanDerWaalsContact C-N 3.32Å; M189-D193 HydrophobicContact CE-CB 4.02Å; M189-D193 HydrophobicContact CG-CB 4.18Å; M189-D227 WeakPolarHBondContact O-CA 3.46Å; M189-I228 HydrophobicContact CB-CG2 4.28Å; M189-I228 WeakPolarHBondContact O-CG2 3.5Å; M189-I228 PolarHBondContact O-N 2.88Å
190	T	89.3	Confident	82.3	Confident	29 Å²	29	64.9 Å²	64.9	18%	0.178	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-75.7	159.1	-178.2	66.5	0	0	0	0	112.4	R192 D193 S194 T226	T190-R192 PolarHBondContact O-N 3.17Å; T190-R192 WeakPolarHBondContact OG1-CB 3.41Å; T190-R192 PolarHBondContact OG1-N 2.76Å; T190-D193 PolarHBondContact O-N 3.25Å; T190-D193 VanDerWaalsContact OG1-CG 3.22Å; T190-D193 PolarHBondContact OG1-N 3.46Å; T190-D193 PolarHBondContact OG1-OD2 3.42Å; T190-S194 WeakPolarHBondContact O-CB 3.49Å; T190-S194 PolarHBondContact O-N 2.91Å; T190-S194 PolarHBondContact O-OG 3.48Å; T190-T226 CarbonylContact C-O 3.51Å; T190-T226 WeakPolarHBondContact CA-O 3.42Å
191	V	85.3	Confident	81.7	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-54	-43.5	165.4	169	0	0	0	0	110.3	S194 L195 V211 I222 W224 T226 I228 L231	V191-S194 PolarHBondContact O-N 2.91Å; V191-L195 HydrophobicContact CG1-CD1 3.66Å; V191-L195 HydrophobicContact CG1-CG 4.21Å; V191-L195 WeakPolarHBondContact O-CB 3.5Å; V191-L195 VanDerWaalsContact O-CG 3.29Å; V191-L195 WeakPolarHBondContact O-CG 2.98Å; V191-L195 PolarHBondContact O-N 3.16Å; V191-V211 HydrophobicContact CG1-CG1 4.24Å; V191-V211 HydrophobicContact CG1-CG2 4.15Å; V191-I222 HydrophobicContact CG2-CG2 4.13Å; V191-W224 HydrophobicContact CG1-CE3 4.1Å; V191-W224 HydrophobicContact CG1-CZ3 4.19Å; V191-T226 PolarHBondContact N-O 3.43Å; V191-I228 HydrophobicContact CG2-CB 4.48Å; V191-L231 HydrophobicContact CG2-CD1 3.5Å; V191-L231 VanDerWaalsContact CG2-CD1 3.5Å
192	R	85.8	Confident	80.8	Confident	71 Å²	71	65 Å²	65	27%	0.268	34%	0.34	S	S	.	.	H	α-helix	trans	-52.2	-56.5	173.5	171.5	-173.9	-63.9	-75.2	1.7	112.3	T190 S194 L195 K196 E207 W224 D225	T190-R192 PolarHBondContact O-N 3.17Å; T190-R192 WeakPolarHBondContact OG1-CB 3.41Å; T190-R192 PolarHBondContact OG1-N 2.76Å; R192-S194 VanDerWaalsContact C-N 3.32Å; R192-S194 PolarHBondContact O-N 2.79Å; R192-L195 PolarHBondContact O-N 3.48Å; R192-K196 WeakPolarHBondContact O-CB 3.27Å; R192-K196 PolarHBondContact O-N 2.81Å; R192-E207 IonicContact CZ-OE1 3.18Å; R192-E207 IonicContact NH1-OE1 2.86Å; R192-E207 PolarHBondContact NH1-OE1 3.23Å; R192-W224 HydrophobicContact CB-CB 4.35Å; R192-W224 HydrophobicContact CB-CE3 3.99Å; R192-W224 WeakPolarHBondContact CB-O 3.45Å; R192-W224 PolarHBondContact N-O 3.25Å; R192-D225 IonicContact CZ-OD1 3.11Å; R192-D225 IonicContact NE-OD1 2.67Å; R192-D225 PolarHBondContact NE-OD1 2.79Å; R192-D225 IonicContact NH2-OD1 3.6Å
193	D	84.8	Confident	79.5	Confident	80 Å²	80	61.8 Å²	61.8	43%	0.428	32%	0.323	S	S	.	.	H	α-helix	trans	-65.3	-36.8	-177.3	-66.4	-53	0	0	0	112.4	M189 T190	M189-D193 HydrophobicContact CE-CB 4.02Å; M189-D193 HydrophobicContact CG-CB 4.18Å; T190-D193 PolarHBondContact O-N 3.25Å; T190-D193 VanDerWaalsContact OG1-CG 3.22Å; T190-D193 PolarHBondContact OG1-N 3.46Å; T190-D193 PolarHBondContact OG1-OD2 3.42Å
194	S	86.4	Confident	78.6	Confident	11 Å²	11	62.2 Å²	62.2	8%	0.077	33%	0.325	C	S	.	.	H	α-helix	trans	-68.7	-41.6	-179.8	-56.3	0	0	0	0	112.4	T190 V191 R192 I228	T190-S194 WeakPolarHBondContact O-CB 3.49Å; T190-S194 PolarHBondContact O-N 2.91Å; T190-S194 PolarHBondContact O-OG 3.48Å; V191-S194 PolarHBondContact O-N 2.91Å; R192-S194 VanDerWaalsContact C-N 3.32Å; R192-S194 PolarHBondContact O-N 2.79Å; S194-I228 WeakPolarHBondContact OG-CD1 3.37Å; S194-I228 WeakPolarHBondContact OG-CG2 3.43Å
195	L	84.3	Confident	77.9	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-85.6	-24.6	-179.5	-62.2	-174.9	0	0	0	113.2	V173 V183 V191 R192 K197 A198 L199 V211 W224 V238	V173-L195 HydrophobicContact CB-CD2 4.25Å; V173-L195 HydrophobicContact CG1-CD2 3.73Å; V173-L195 HydrophobicContact CG2-CD2 3.79Å; V183-L195 HydrophobicContact CG1-CD2 4.25Å; V183-L195 HydrophobicContact CG2-CD2 4.47Å; V191-L195 HydrophobicContact CG1-CD1 3.66Å; V191-L195 HydrophobicContact CG1-CG 4.21Å; V191-L195 WeakPolarHBondContact O-CB 3.5Å; V191-L195 VanDerWaalsContact O-CG 3.29Å; V191-L195 WeakPolarHBondContact O-CG 2.98Å; V191-L195 PolarHBondContact O-N 3.16Å; R192-L195 PolarHBondContact O-N 3.48Å; L195-K197 VanDerWaalsContact C-N 3.31Å; L195-K197 PolarHBondContact O-N 2.78Å; L195-K197 VanDerWaalsContact O-N 3.13Å; L195-A198 WeakPolarHBondContact O-CA 3.23Å; L195-A198 WeakPolarHBondContact O-CB 3.34Å; L195-A198 PolarHBondContact O-N 2.75Å; L195-L199 HydrophobicContact CB-CD1 3.86Å; L195-L199 HydrophobicContact CB-CG 4.31Å; L195-L199 WeakPolarHBondContact O-CG 3.46Å; L195-L199 PolarHBondContact O-N 2.8Å; L195-V211 HydrophobicContact CD1-CG1 4.35Å; L195-V211 HydrophobicContact CD1-CG2 3.9Å; L195-W224 HydrophobicContact CB-CZ3 4.18Å; L195-W224 HydrophobicContact CD1-CH2 4.18Å; L195-W224 HydrophobicContact CD1-CZ3 3.85Å; L195-V238 HydrophobicContact CD1-CG2 3.87Å
196	K	79.9	Confident	77.4	Confident	106 Å²	106	61.6 Å²	61.6	46%	0.461	32%	0.318	S	S	.	.	H	α-helix	trans	-43.4	-51.4	-176.4	178.1	171	178.5	177.9	0	113.3	R192 L199 M200	R192-K196 WeakPolarHBondContact O-CB 3.27Å; R192-K196 PolarHBondContact O-N 2.81Å; K196-L199 PolarHBondContact O-N 2.84Å; K196-M200 HydrophobicContact CD-SD 4.48Å; K196-M200 HydrophobicContact CG-CG 4.44Å; K196-M200 HydrophobicContact CG-SD 3.68Å; K196-M200 WeakPolarHBondContact O-CB 3.3Å; K196-M200 WeakPolarHBondContact O-CG 3.17Å; K196-M200 PolarHBondContact O-N 3.42Å
197	K	76.6	Confident	76.8	Confident	163 Å²	163	57.3 Å²	57.3	71%	0.709	31%	0.305	S	S	*	.	H	α-helix	trans	-67.4	-38.6	179.5	-169.3	175.2	-174.2	178.5	0	112.7	L195 L199 M201	L195-K197 VanDerWaalsContact C-N 3.31Å; L195-K197 PolarHBondContact O-N 2.78Å; L195-K197 VanDerWaalsContact O-N 3.13Å; K197-L199 VanDerWaalsContact C-N 3.31Å; K197-L199 PolarHBondContact O-N 3.3Å; K197-M201 HydrophobicContact CG-CG 4.41Å; K197-M201 WeakPolarHBondContact O-CB 3.26Å; K197-M201 WeakPolarHBondContact O-CG 3.38Å; K197-M201 PolarHBondContact O-N 3.45Å; K197-M201 VanDerWaalsContact O-N 3.12Å
198	A	77.3	Confident	76.3	Confident	12 Å²	12	52 Å²	52	10%	0.099	27%	0.269	C	S	.	.	H	α-helix	trans	-69.3	-29.9	-179.9	0	0	0	0	0	113	L175 T181 L195 R202	L175-A198 HydrophobicContact CD1-CB 4.39Å; T181-A198 HydrophobicContact CG2-CB 4.22Å; L195-A198 WeakPolarHBondContact O-CA 3.23Å; L195-A198 WeakPolarHBondContact O-CB 3.34Å; L195-A198 PolarHBondContact O-N 2.75Å; A198-R202 PolarHBondContact O-NH1 3.29Å
199	L	77.1	Confident	76.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-80.5	-48.9	175.6	-63.8	169.5	0	0	0	111.8	L175 L195 K196 K197 M201 R202 G203 L204 P206 W224 V238	L175-L199 HydrophobicContact CD2-CD2 4.01Å; L195-L199 HydrophobicContact CB-CD1 3.86Å; L195-L199 HydrophobicContact CB-CG 4.31Å; L195-L199 WeakPolarHBondContact O-CG 3.46Å; L195-L199 PolarHBondContact O-N 2.8Å; K196-L199 PolarHBondContact O-N 2.84Å; K197-L199 VanDerWaalsContact C-N 3.31Å; K197-L199 PolarHBondContact O-N 3.3Å; L199-M201 VanDerWaalsContact C-N 3.29Å; L199-M201 PolarHBondContact O-N 3.45Å; L199-R202 CarbonylContact O-C 3.13Å; L199-R202 WeakPolarHBondContact O-CA 3.44Å; L199-R202 PolarHBondContact O-N 2.99Å; L199-G203 PolarHBondContact O-N 3.16Å; L199-L204 CarbonylContact C-O 3.53Å; L199-L204 HydrophobicContact CB-CB 4.03Å; L199-L204 WeakPolarHBondContact CB-O 3.24Å; L199-L204 HydrophobicContact CD2-CB 4.01Å; L199-L204 HydrophobicContact CD2-CD1 4.07Å; L199-L204 PolarHBondContact O-N 3.24Å; L199-P206 HydrophobicContact CD1-CG 4.17Å; L199-W224 HydrophobicContact CD1-CH2 3.72Å; L199-W224 HydrophobicContact CD1-CZ3 4.18Å; L199-V238 HydrophobicContact CD2-CG1 4.12Å
200	M	69.7	Low	76.2	Confident	104 Å²	104	47.1 Å²	47.1	51%	0.512	23%	0.23	S	C	.	.	H	α-helix	trans	-57	-41.6	177.4	-74.2	175.4	70.6	0	0	112.1	K196 R202 G203 L204	K196-M200 HydrophobicContact CD-SD 4.48Å; K196-M200 HydrophobicContact CG-CG 4.44Å; K196-M200 HydrophobicContact CG-SD 3.68Å; K196-M200 WeakPolarHBondContact O-CB 3.3Å; K196-M200 WeakPolarHBondContact O-CG 3.17Å; K196-M200 PolarHBondContact O-N 3.42Å; M200-R202 PolarHBondContact O-N 3.35Å; M200-G203 PolarHBondContact O-N 2.88Å; M200-G203 VanDerWaalsContact O-N 3.15Å; M200-L204 PolarHBondContact N-O 2.92Å
201	M	66.8	Low	76.1	Confident	146 Å²	146	46 Å²	46	72%	0.719	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-6.4	174.5	-73.9	-63.3	-53.3	0	0	114.4	K197 L199	K197-M201 HydrophobicContact CG-CG 4.41Å; K197-M201 WeakPolarHBondContact O-CB 3.26Å; K197-M201 WeakPolarHBondContact O-CG 3.38Å; K197-M201 PolarHBondContact O-N 3.45Å; K197-M201 VanDerWaalsContact O-N 3.12Å; L199-M201 VanDerWaalsContact C-N 3.29Å; L199-M201 PolarHBondContact O-N 3.45Å
202	R	66.2	Low	76.2	Confident	85 Å²	85	48.2 Å²	48.2	32%	0.321	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	11.4	179.6	-67.3	178.5	174.1	78.9	1.4	113	L175 A198 L199 M200 L204	L175-R202 VanDerWaalsContact CD1-CZ 3.44Å; A198-R202 PolarHBondContact O-NH1 3.29Å; L199-R202 CarbonylContact O-C 3.13Å; L199-R202 WeakPolarHBondContact O-CA 3.44Å; L199-R202 PolarHBondContact O-N 2.99Å; M200-R202 PolarHBondContact O-N 3.35Å; R202-L204 PolarHBondContact O-N 3.44Å
203	G	58.6	Low	76.3	Confident	14 Å²	14	47.6 Å²	47.6	14%	0.144	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	14.5	-177.2	0	0	0	0	0	114.4	L199 M200 M293	L199-G203 PolarHBondContact O-N 3.16Å; M200-G203 PolarHBondContact O-N 2.88Å; M200-G203 VanDerWaalsContact O-N 3.15Å; G203-M293 WeakPolarHBondContact O-CG 3.3Å
204	L	67.5	Low	75.9	Confident	17 Å²	17	46.8 Å²	46.8	9%	0.089	23%	0.225	C	C	.	.			trans	-100.1	144.4	177.4	-63	176.1	0	0	0	110.7	P176 L199 M200 R202 V240 L246	P176-L204 HydrophobicContact CG-CD1 3.81Å; L199-L204 CarbonylContact C-O 3.53Å; L199-L204 HydrophobicContact CB-CB 4.03Å; L199-L204 WeakPolarHBondContact CB-O 3.24Å; L199-L204 HydrophobicContact CD2-CB 4.01Å; L199-L204 HydrophobicContact CD2-CD1 4.07Å; L199-L204 PolarHBondContact O-N 3.24Å; M200-L204 PolarHBondContact N-O 2.92Å; R202-L204 PolarHBondContact O-N 3.44Å; L204-V240 HydrophobicContact CD1-CG2 4.31Å; L204-V240 HydrophobicContact CD2-CG2 3.84Å; L204-L246 HydrophobicContact CD2-CD1 4.04Å
205	I	69.8	Low	75.2	Confident	41 Å²	41	49.1 Å²	49.1	21%	0.21	23%	0.234	C	C	.	.			trans	-110.3	148.5	166.4	65.4	172	0	0	0	109.3	E207 C208 C209 V295	I205-E207 HydrophobicContact CD1-CB 4.1Å; I205-E207 HydrophobicContact CG1-CB 4.34Å; I205-E207 PolarHBondContact O-N 2.92Å; I205-E207 VanDerWaalsContact O-N 3.16Å; I205-C208 HydrophobicContact CG1-CB 4.12Å; I205-C208 WeakPolarHBondContact CG1-SG 3.34Å; I205-C208 PolarHBondContact O-N 2.87Å; I205-C208 VanDerWaalsContact O-N 3.07Å; I205-C209 PolarHBondContact O-SG 2.71Å; I205-C209 VanDerWaalsContact O-SG 3.38Å; I205-V295 HydrophobicContact CD1-CG2 3.98Å
206	P	73.8	Confident	74.3	Confident	12 Å²	12	57.2 Å²	57.2	8%	0.078	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-51.3	-37	178	-28.2	35.8	0	0	0	113.4	L199 C208 C209 W224	L199-P206 HydrophobicContact CD1-CG 4.17Å; P206-C208 PolarHBondContact O-N 3.24Å; P206-C208 VanDerWaalsContact O-N 3.14Å; P206-C209 PolarHBondContact O-N 3.46Å; P206-C209 VanDerWaalsContact O-O 3.04Å; P206-W224 HydrophobicContact CB-CD2 3.94Å; P206-W224 HydrophobicContact CB-CE3 3.97Å; P206-W224 HydrophobicContact CB-CH2 3.82Å; P206-W224 HydrophobicContact CB-CZ2 3.78Å; P206-W224 HydrophobicContact CB-CZ3 3.9Å; P206-W224 HydrophobicContact CG-CZ3 4.41Å; P206-W224 WeakPolarHBondContact O-CZ2 3.24Å; P206-W224 PolarHBondContact O-NE1 2.87Å
207	E	72.3	Confident	73.5	Confident	74 Å²	74	55.4 Å²	55.4	35%	0.346	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-69.3	-11.2	-176.5	-60.3	65.5	-143.4	0	0	113.7	R192 I205 L300	R192-E207 IonicContact CZ-OE1 3.18Å; R192-E207 IonicContact NH1-OE1 2.86Å; R192-E207 PolarHBondContact NH1-OE1 3.23Å; I205-E207 HydrophobicContact CD1-CB 4.1Å; I205-E207 HydrophobicContact CG1-CB 4.34Å; I205-E207 PolarHBondContact O-N 2.92Å; I205-E207 VanDerWaalsContact O-N 3.16Å; E207-L300 HydrophobicContact CB-CD2 3.83Å
208	C	68.2	Low	73.1	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-100.5	2.3	173.2	-62.9	0	0	0	0	113.1	I205 P206 L241 L246 L300	I205-C208 HydrophobicContact CG1-CB 4.12Å; I205-C208 WeakPolarHBondContact CG1-SG 3.34Å; I205-C208 PolarHBondContact O-N 2.87Å; I205-C208 VanDerWaalsContact O-N 3.07Å; P206-C208 PolarHBondContact O-N 3.24Å; P206-C208 VanDerWaalsContact O-N 3.14Å; C208-L241 PolarHBondContact O-N 2.94Å; C208-L246 HydrophobicContact CB-CD2 4.34Å; C208-L300 VanDerWaalsContact SG-CD1 3.53Å
209	C	78.1	Confident	73.3	Confident	5 Å²	5	58.1 Å²	58.1	3%	0.034	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.5	-169.7	-53.8	0	0	0	0	111.7	I205 P206 W224 V238 E239	I205-C209 PolarHBondContact O-SG 2.71Å; I205-C209 VanDerWaalsContact O-SG 3.38Å; P206-C209 PolarHBondContact O-N 3.46Å; P206-C209 VanDerWaalsContact O-O 3.04Å; C209-W224 HydrophobicContact CB-CH2 4.5Å; C209-W224 HydrophobicContact CB-CZ2 3.97Å; C209-W224 WeakPolarHBondContact O-CZ2 3.34Å; C209-W224 PolarHBondContact O-NE1 2.87Å; C209-V238 HydrophobicContact CB-CG1 3.71Å; C209-E239 CarbonylContact C-O 3.57Å; C209-E239 VanDerWaalsContact CA-O 3.26Å; C209-E239 WeakPolarHBondContact CA-O 3.34Å
210	A	82.6	Confident	73.4	Confident	20 Å²	20	62.1 Å²	62.1	17%	0.165	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	148.8	164.3	0	0	0	0	0	110	Y212 V238 E239 L241	A210-Y212 HydrophobicContact CB-CD2 4.44Å; A210-Y212 HydrophobicContact CB-CE2 3.57Å; A210-V238 WeakPolarHBondContact O-CA 3.39Å; A210-E239 PolarHBondContact N-O 2.89Å; A210-E239 PolarHBondContact O-N 3.27Å; A210-L241 HydrophobicContact CB-CD2 4.11Å
211	V	87.6	Confident	73.9	Confident	4 Å²	4	62.2 Å²	62.2	2%	0.024	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.5	174.4	-171.3	0	0	0	0	108.6	V191 L195 I222 W224 L236 V238	V191-V211 HydrophobicContact CG1-CG1 4.24Å; V191-V211 HydrophobicContact CG1-CG2 4.15Å; L195-V211 HydrophobicContact CD1-CG1 4.35Å; L195-V211 HydrophobicContact CD1-CG2 3.9Å; V211-I222 PolarHBondContact O-N 2.87Å; V211-W224 HydrophobicContact CG2-CD2 4.35Å; V211-W224 HydrophobicContact CG2-CE3 4.17Å; V211-W224 HydrophobicContact CG2-CH2 3.36Å; V211-W224 HydrophobicContact CG2-CZ2 3.54Å; V211-W224 HydrophobicContact CG2-CZ3 3.72Å; V211-L236 HydrophobicContact CG1-CB 4.34Å; V211-L236 HydrophobicContact CG1-CD1 4.25Å; V211-V238 HydrophobicContact CG1-CG2 4.44Å; V211-V238 HydrophobicContact CG2-CG2 4.29Å
212	Y	86.6	Confident	74.8	Confident	47 Å²	47	56.1 Å²	56.1	18%	0.184	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.2	179.1	-57.9	-84.5	0	0	0	110.3	A210 K219 K220 P221 L236 H237 E239	A210-Y212 HydrophobicContact CB-CD2 4.44Å; A210-Y212 HydrophobicContact CB-CE2 3.57Å; Y212-K219 HydrophobicContact CD1-CB 3.95Å; Y212-K219 HydrophobicContact CG-CB 4.18Å; Y212-K219 HydrophobicContact CG-CD 4.48Å; Y212-K220 CarbonylContact C-O 3.54Å; Y212-K220 WeakPolarHBondContact CA-O 3.42Å; Y212-P221 HydrophobicContact CD1-CB 4.23Å; Y212-P221 HydrophobicContact CE1-CB 4.23Å; Y212-L236 CarbonylContact O-C 3.53Å; Y212-L236 VanDerWaalsContact O-CA 3.32Å; Y212-L236 WeakPolarHBondContact O-CA 3.4Å; Y212-H237 PolarHBondContact N-O 3.5Å; Y212-H237 PolarHBondContact O-N 3.42Å; Y212-E239 HydrophobicContact CD2-CG 4.33Å; Y212-E239 HydrophobicContact CE2-CB 4.24Å; Y212-E239 HydrophobicContact CE2-CG 4.33Å
213	R	87.4	Confident	75.4	Confident	58 Å²	58	54.1 Å²	54.1	22%	0.219	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	141.5	159.4	-153.6	-173.9	-70.9	-135.4	6.7	107.8	Q215 K219 K220 I222 L231 E234 L236	R213-Q215 VanDerWaalsContact CD-NE2 3.28Å; R213-Q215 HydrophobicContact CG-CG 4.24Å; R213-K219 WeakPolarHBondContact O-CA 3.19Å; R213-K220 PolarHBondContact N-O 2.87Å; R213-K220 PolarHBondContact O-N 2.85Å; R213-I222 HydrophobicContact CB-CD1 3.65Å; R213-I222 HydrophobicContact CB-CG1 4.19Å; R213-I222 HydrophobicContact CG-CD1 4.19Å; R213-L231 VanDerWaalsContact NH2-CD2 3.27Å; R213-E234 WeakPolarHBondContact CD-OE1 3.1Å; R213-E234 VanDerWaalsContact CD-OE2 3.25Å; R213-E234 WeakPolarHBondContact CD-OE2 3.44Å; R213-E234 WeakPolarHBondContact CG-OE2 3.43Å; R213-E234 IonicContact CZ-OE1 3.21Å; R213-E234 IonicContact CZ-OE2 3.66Å; R213-E234 IonicContact NE-OE1 2.71Å; R213-E234 IonicContact NE-OE2 3.86Å; R213-E234 PolarHBondContact NE-OE2 3.02Å; R213-E234 IonicContact NH1-OE1 2.59Å; R213-E234 PolarHBondContact NH1-OE1 3.06Å; R213-E234 IonicContact NH1-OE2 2.75Å; R213-E234 PolarHBondContact NH1-OE2 2.8Å; R213-L236 HydrophobicContact CG-CD2 4.47Å
214	I	77	Confident	76.6	Confident	63 Å²	63	55.3 Å²	55.3	32%	0.323	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.7	160.7	-60.8	-171.3	0	0	0	108.9	E218 E235 H237	I214-E218 WeakPolarHBondContact CA-O 3.44Å; I214-E235 PolarHBondContact N-O 3.39Å; I214-H237 WeakPolarHBondContact CD1-CE1 3.34Å; I214-H237 WeakPolarHBondContact CD1-ND1 3.45Å
215	Q	71.8	Confident	77.5	Confident	61 Å²	61	59.9 Å²	59.9	29%	0.285	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.1	169.3	-73.6	-179.8	-20.7	0	0	107.5	R213 G217 E218 E234	R213-Q215 VanDerWaalsContact CD-NE2 3.28Å; R213-Q215 HydrophobicContact CG-CG 4.24Å; Q215-G217 PolarHBondContact O-N 3.49Å; Q215-E218 PolarHBondContact N-O 2.89Å; Q215-E218 VanDerWaalsContact N-O 3.13Å; Q215-E218 PolarHBondContact O-N 3.41Å; Q215-E234 PolarHBondContact NE2-OE1 3.48Å
216	D	65.6	Low	78.2	Confident	170 Å²	170	60.4 Å²	60.4	91%	0.909	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	23.4	176	-49.7	-47.8	0	0	0	115.8
217	G	62.6	Low	78.9	Confident	67 Å²	67	61.4 Å²	61.4	69%	0.691	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.8	-16	-177.9	0	0	0	0	0	114.7	Q215	Q215-G217 PolarHBondContact O-N 3.49Å
218	E	69.4	Low	79.6	Confident	130 Å²	130	57.9 Å²	57.9	61%	0.607	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	146.2	179.1	-62.4	-166.5	143.6	0	0	113	I214 Q215	I214-E218 WeakPolarHBondContact CA-O 3.44Å; Q215-E218 PolarHBondContact N-O 2.89Å; Q215-E218 VanDerWaalsContact N-O 3.13Å; Q215-E218 PolarHBondContact O-N 3.41Å
219	K	80	Confident	80.4	Confident	103 Å²	103	59.5 Å²	59.5	45%	0.448	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	102.6	174.3	-70.5	-179.3	176.1	-177.6	0	110.9	Y212 R213 E239	Y212-K219 HydrophobicContact CD1-CB 3.95Å; Y212-K219 HydrophobicContact CG-CB 4.18Å; Y212-K219 HydrophobicContact CG-CD 4.48Å; R213-K219 WeakPolarHBondContact O-CA 3.19Å; K219-E239 IonicContact NZ-OE1 2.73Å; K219-E239 PolarHBondContact NZ-OE1 2.81Å; K219-E239 IonicContact NZ-OE2 2.67Å; K219-E239 PolarHBondContact NZ-OE2 3.03Å
220	K	79.1	Confident	80.7	Confident	83 Å²	83	69 Å²	69	36%	0.361	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	123.9	175.4	-62.9	177.3	-169.4	169.4	0	110.1	Y212 R213	Y212-K220 CarbonylContact C-O 3.54Å; Y212-K220 WeakPolarHBondContact CA-O 3.42Å; R213-K220 PolarHBondContact N-O 2.87Å; R213-K220 PolarHBondContact O-N 2.85Å
221	P	81.8	Confident	80.7	Confident	106 Å²	106	68 Å²	68	69%	0.688	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	148.6	-177.5	27.6	-34.5	0	0	0	112.2	Y212	Y212-P221 HydrophobicContact CD1-CB 4.23Å; Y212-P221 HydrophobicContact CE1-CB 4.23Å
222	I	85.1	Confident	80.3	Confident	19 Å²	19	71 Å²	71	10%	0.097	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137.2	175.5	-69	160.8	0	0	0	109.8	V191 V211 R213 T226 L231 L236	V191-I222 HydrophobicContact CG2-CG2 4.13Å; V211-I222 PolarHBondContact O-N 2.87Å; R213-I222 HydrophobicContact CB-CD1 3.65Å; R213-I222 HydrophobicContact CB-CG1 4.19Å; R213-I222 HydrophobicContact CG-CD1 4.19Å; I222-T226 HydrophobicContact CG2-CG2 4.21Å; I222-L231 HydrophobicContact CD1-CD1 4.06Å; I222-L231 HydrophobicContact CD1-CD2 4.09Å; I222-L231 HydrophobicContact CG2-CD1 4.4Å; I222-L236 HydrophobicContact CD1-CD2 3.44Å; I222-L236 VanDerWaalsContact CD1-CD2 3.44Å
223	G	79.4	Confident	79.6	Confident	43 Å²	43	71.7 Å²	71.7	44%	0.443	40%	0.399	S	S	.	.			trans	-67.7	139.3	173.4	0	0	0	0	0	112.3	D225 T226	G223-D225 PolarHBondContact O-N 2.8Å; G223-D225 VanDerWaalsContact O-N 3.09Å; G223-T226 WeakPolarHBondContact O-CB 3.41Å; G223-T226 PolarHBondContact O-N 2.79Å; G223-T226 VanDerWaalsContact O-N 3.12Å; G223-T226 PolarHBondContact O-OG1 3.25Å
224	W	83.8	Confident	79.3	Confident	38 Å²	38	71.1 Å²	71.1	14%	0.144	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.6	179.1	-83.8	111.7	0	0	0	114.1	V191 R192 L195 L199 P206 C209 V211	V191-W224 HydrophobicContact CG1-CE3 4.1Å; V191-W224 HydrophobicContact CG1-CZ3 4.19Å; R192-W224 HydrophobicContact CB-CB 4.35Å; R192-W224 HydrophobicContact CB-CE3 3.99Å; R192-W224 WeakPolarHBondContact CB-O 3.45Å; R192-W224 PolarHBondContact N-O 3.25Å; L195-W224 HydrophobicContact CB-CZ3 4.18Å; L195-W224 HydrophobicContact CD1-CH2 4.18Å; L195-W224 HydrophobicContact CD1-CZ3 3.85Å; L199-W224 HydrophobicContact CD1-CH2 3.72Å; L199-W224 HydrophobicContact CD1-CZ3 4.18Å; P206-W224 HydrophobicContact CB-CD2 3.94Å; P206-W224 HydrophobicContact CB-CE3 3.97Å; P206-W224 HydrophobicContact CB-CH2 3.82Å; P206-W224 HydrophobicContact CB-CZ2 3.78Å; P206-W224 HydrophobicContact CB-CZ3 3.9Å; P206-W224 HydrophobicContact CG-CZ3 4.41Å; P206-W224 WeakPolarHBondContact O-CZ2 3.24Å; P206-W224 PolarHBondContact O-NE1 2.87Å; C209-W224 HydrophobicContact CB-CH2 4.5Å; C209-W224 HydrophobicContact CB-CZ2 3.97Å; C209-W224 WeakPolarHBondContact O-CZ2 3.34Å; C209-W224 PolarHBondContact O-NE1 2.87Å; V211-W224 HydrophobicContact CG2-CD2 4.35Å; V211-W224 HydrophobicContact CG2-CE3 4.17Å; V211-W224 HydrophobicContact CG2-CH2 3.36Å; V211-W224 HydrophobicContact CG2-CZ2 3.54Å; V211-W224 HydrophobicContact CG2-CZ3 3.72Å
225	D	85.3	Confident	79.7	Confident	113 Å²	113	71.1 Å²	71.1	60%	0.604	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	6.7	-174	-45.7	-52.8	0	0	0	112.5	R192 G223	R192-D225 IonicContact CZ-OD1 3.11Å; R192-D225 IonicContact NE-OD1 2.67Å; R192-D225 PolarHBondContact NE-OD1 2.79Å; R192-D225 IonicContact NH2-OD1 3.6Å; G223-D225 PolarHBondContact O-N 2.8Å; G223-D225 VanDerWaalsContact O-N 3.09Å
226	T	85.6	Confident	80.5	Confident	53 Å²	53	68.2 Å²	68.2	33%	0.325	38%	0.383	S	S	.	.	S	Bend	trans	-63.4	141.9	168.8	-60.3	0	0	0	0	110.9	T190 V191 I222 G223	T190-T226 CarbonylContact C-O 3.51Å; T190-T226 WeakPolarHBondContact CA-O 3.42Å; V191-T226 PolarHBondContact N-O 3.43Å; I222-T226 HydrophobicContact CG2-CG2 4.21Å; G223-T226 WeakPolarHBondContact O-CB 3.41Å; G223-T226 PolarHBondContact O-N 2.79Å; G223-T226 VanDerWaalsContact O-N 3.12Å; G223-T226 PolarHBondContact O-OG1 3.25Å
227	D	86.8	Confident	81.4	Confident	33 Å²	33	61.9 Å²	61.9	18%	0.176	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-71.7	127.8	175.5	-174	-50.9	0	0	0	111.1	G188 M189 S229 W230	G188-D227 WeakPolarHBondContact CA-OD2 3.45Å; G188-D227 PolarHBondContact N-OD2 2.87Å; M189-D227 WeakPolarHBondContact O-CA 3.46Å; D227-S229 VanDerWaalsContact C-N 3.3Å; D227-S229 PolarHBondContact O-N 3.35Å; D227-S229 VanDerWaalsContact OD1-CB 3.29Å; D227-S229 WeakPolarHBondContact OD1-CB 3.41Å; D227-S229 PolarHBondContact OD1-N 2.68Å; D227-S229 PolarHBondContact OD1-OG 2.66Å; D227-W230 PolarHBondContact O-N 3.17Å
228	I	88.1	Confident	82.4	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-72.4	-20.1	-174.7	-164.4	160.3	0	0	0	113.8	V171 V183 A185 M189 V191 S194 W230 L231	V171-I228 HydrophobicContact CB-CD1 4.27Å; V171-I228 HydrophobicContact CB-CG1 4.35Å; V171-I228 HydrophobicContact CG2-CD1 4.1Å; V171-I228 HydrophobicContact CG2-CG1 3.67Å; V183-I228 HydrophobicContact CG2-CD1 3.51Å; A185-I228 HydrophobicContact CB-CG2 4.38Å; M189-I228 HydrophobicContact CB-CG2 4.28Å; M189-I228 WeakPolarHBondContact O-CG2 3.5Å; M189-I228 PolarHBondContact O-N 2.88Å; V191-I228 HydrophobicContact CG2-CB 4.48Å; S194-I228 WeakPolarHBondContact OG-CD1 3.37Å; S194-I228 WeakPolarHBondContact OG-CG2 3.43Å; I228-W230 PolarHBondContact O-N 3.33Å; I228-L231 HydrophobicContact CG1-CD1 4.45Å; I228-L231 WeakPolarHBondContact O-CB 3.39Å; I228-L231 PolarHBondContact O-N 3.48Å
229	S	85.5	Confident	83.1	Confident	34 Å²	34	56 Å²	56	24%	0.238	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-64.9	-26.4	178	63.7	0	0	0	0	112.7	D227 L231 T232	D227-S229 VanDerWaalsContact C-N 3.3Å; D227-S229 PolarHBondContact O-N 3.35Å; D227-S229 VanDerWaalsContact OD1-CB 3.29Å; D227-S229 WeakPolarHBondContact OD1-CB 3.41Å; D227-S229 PolarHBondContact OD1-N 2.68Å; D227-S229 PolarHBondContact OD1-OG 2.66Å; S229-L231 PolarHBondContact O-N 2.89Å; S229-T232 WeakPolarHBondContact O-CB 3.4Å; S229-T232 PolarHBondContact O-N 3.36Å; S229-T232 PolarHBondContact O-OG1 2.91Å
230	W	83.4	Confident	82.8	Confident	204 Å²	204	53 Å²	53	77%	0.773	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-73.1	-5.7	174.9	-62.2	52.9	0	0	0	113	D227 I228	D227-W230 PolarHBondContact O-N 3.17Å; I228-W230 PolarHBondContact O-N 3.33Å
231	L	82.1	Confident	82.5	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-113.2	9.1	-179	-47.8	177.8	0	0	0	111.6	V171 V191 R213 I222 I228 S229 G233 E234 L236	V171-L231 HydrophobicContact CG2-CB 4.21Å; V171-L231 WeakPolarHBondContact CG2-O 3.31Å; V191-L231 HydrophobicContact CG2-CD1 3.5Å; V191-L231 VanDerWaalsContact CG2-CD1 3.5Å; R213-L231 VanDerWaalsContact NH2-CD2 3.27Å; I222-L231 HydrophobicContact CD1-CD1 4.06Å; I222-L231 HydrophobicContact CD1-CD2 4.09Å; I222-L231 HydrophobicContact CG2-CD1 4.4Å; I228-L231 HydrophobicContact CG1-CD1 4.45Å; I228-L231 WeakPolarHBondContact O-CB 3.39Å; I228-L231 PolarHBondContact O-N 3.48Å; S229-L231 PolarHBondContact O-N 2.89Å; L231-G233 PolarHBondContact O-N 3.28Å; L231-E234 WeakPolarHBondContact O-CB 3.39Å; L231-E234 PolarHBondContact O-N 2.91Å; L231-E234 VanDerWaalsContact O-N 3.08Å; L231-L236 HydrophobicContact CD1-CD1 3.86Å; L231-L236 HydrophobicContact CD1-CD2 4.2Å
232	T	79.7	Confident	81	Confident	67 Å²	67	53.2 Å²	53.2	41%	0.411	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	122.2	-174.4	-61.1	0	0	0	0	111.3	P169 A185 S229	P169-T232 HydrophobicContact CB-CG2 3.5Å; A185-T232 WeakPolarHBondContact CB-OG1 3.47Å; S229-T232 WeakPolarHBondContact O-CB 3.4Å; S229-T232 PolarHBondContact O-N 3.36Å; S229-T232 PolarHBondContact O-OG1 2.91Å
233	G	72.2	Confident	79.3	Confident	61 Å²	61	57.2 Å²	57.2	63%	0.629	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.2	-12.8	-178.1	0	0	0	0	0	115.2	I170 L231	I170-G233 PolarHBondContact O-N 2.72Å; L231-G233 PolarHBondContact O-N 3.28Å
234	E	82.1	Confident	77.9	Confident	46 Å²	46	55.8 Å²	55.8	22%	0.215	29%	0.291	C	S	.	.			trans	-80.4	166.4	175.7	-58.3	-172.6	138	0	0	112.6	R172 R213 Q215 L231	R172-E234 PolarHBondContact N-O 3.17Å; R213-E234 WeakPolarHBondContact CD-OE1 3.1Å; R213-E234 VanDerWaalsContact CD-OE2 3.25Å; R213-E234 WeakPolarHBondContact CD-OE2 3.44Å; R213-E234 WeakPolarHBondContact CG-OE2 3.43Å; R213-E234 IonicContact CZ-OE1 3.21Å; R213-E234 IonicContact CZ-OE2 3.66Å; R213-E234 IonicContact NE-OE1 2.71Å; R213-E234 IonicContact NE-OE2 3.86Å; R213-E234 PolarHBondContact NE-OE2 3.02Å; R213-E234 IonicContact NH1-OE1 2.59Å; R213-E234 PolarHBondContact NH1-OE1 3.06Å; R213-E234 IonicContact NH1-OE2 2.75Å; R213-E234 PolarHBondContact NH1-OE2 2.8Å; Q215-E234 PolarHBondContact NE2-OE1 3.48Å; L231-E234 WeakPolarHBondContact O-CB 3.39Å; L231-E234 PolarHBondContact O-N 2.91Å; L231-E234 VanDerWaalsContact O-N 3.08Å
235	E	84.8	Confident	76.3	Confident	62 Å²	62	56.3 Å²	56.3	29%	0.29	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	114.7	174.6	-54.5	-151.5	148.6	0	0	111	R172 F174 I214	R172-E235 HydrophobicContact CB-CG 4.19Å; R172-E235 WeakPolarHBondContact CD-OE1 3.44Å; R172-E235 IonicContact CZ-OE1 2.67Å; R172-E235 IonicContact NE-OE1 3.62Å; R172-E235 IonicContact NH1-OE1 3.72Å; R172-E235 PolarHBondContact NH1-OE1 2.84Å; F174-E235 HydrophobicContact CE2-CB 4.25Å; F174-E235 VanDerWaalsContact CE2-OE2 3.26Å; F174-E235 WeakPolarHBondContact CE2-OE2 3.3Å; I214-E235 PolarHBondContact N-O 3.39Å
236	L	87.2	Confident	74.6	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	144.8	177.4	-55.8	-174	0	0	0	111	V171 R172 V173 F174 V211 Y212 R213 I222 L231	V171-L236 HydrophobicContact CG1-CD1 3.69Å; V171-L236 HydrophobicContact CG1-CG 3.62Å; R172-L236 PolarHBondContact O-N 3.46Å; V173-L236 CarbonylContact C-O 3.56Å; V173-L236 WeakPolarHBondContact CA-O 3.5Å; V173-L236 HydrophobicContact CG1-CB 4.33Å; V173-L236 HydrophobicContact CG2-CB 4.35Å; F174-L236 PolarHBondContact N-O 3.16Å; V211-L236 HydrophobicContact CG1-CB 4.34Å; V211-L236 HydrophobicContact CG1-CD1 4.25Å; Y212-L236 CarbonylContact O-C 3.53Å; Y212-L236 VanDerWaalsContact O-CA 3.32Å; Y212-L236 WeakPolarHBondContact O-CA 3.4Å; R213-L236 HydrophobicContact CG-CD2 4.47Å; I222-L236 HydrophobicContact CD1-CD2 3.44Å; I222-L236 VanDerWaalsContact CD1-CD2 3.44Å; L231-L236 HydrophobicContact CD1-CD1 3.86Å; L231-L236 HydrophobicContact CD1-CD2 4.2Å
237	H	85.8	Confident	73.4	Confident	38 Å²	38	53.9 Å²	53.9	18%	0.176	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.5	172.7	-79.7	61	0	0	0	109.8	F174 Y212 I214	F174-H237 AromaticContact CD1-NE2 3.67Å; F174-H237 AromaticContact CD2-CE1 3.28Å; F174-H237 WeakPolarHBondContact CD2-CE1 3.19Å; F174-H237 AromaticContact CD2-ND1 3.8Å; F174-H237 AromaticContact CD2-NE2 3.76Å; F174-H237 AromaticContact CE2-CE1 3.76Å; F174-H237 AromaticContact CG-CE1 3.45Å; F174-H237 VanDerWaalsContact CG-CE1 3.45Å; F174-H237 WeakPolarHBondContact CG-CE1 3.38Å; F174-H237 AromaticContact CG-NE2 3.4Å; F174-H237 WeakPolarHBondContact CG-NE2 3.04Å; Y212-H237 PolarHBondContact N-O 3.5Å; Y212-H237 PolarHBondContact O-N 3.42Å; I214-H237 WeakPolarHBondContact CD1-CE1 3.34Å; I214-H237 WeakPolarHBondContact CD1-ND1 3.45Å
238	V	84.2	Confident	72.3	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.018	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.8	175.1	-170.4	0	0	0	0	108.8	V173 F174 L175 P176 L195 L199 C209 A210 V211	V173-V238 HydrophobicContact CG1-CG2 3.66Å; F174-V238 PolarHBondContact O-N 3.37Å; L175-V238 HydrophobicContact CD2-CB 4.06Å; L175-V238 HydrophobicContact CD2-CG2 3.97Å; P176-V238 WeakPolarHBondContact CD-O 3.17Å; P176-V238 VanDerWaalsContact CG-O 3.3Å; P176-V238 WeakPolarHBondContact CG-O 3.29Å; L195-V238 HydrophobicContact CD1-CG2 3.87Å; L199-V238 HydrophobicContact CD2-CG1 4.12Å; C209-V238 HydrophobicContact CB-CG1 3.71Å; A210-V238 WeakPolarHBondContact O-CA 3.39Å; V211-V238 HydrophobicContact CG1-CG2 4.44Å; V211-V238 HydrophobicContact CG2-CG2 4.29Å
239	E	82.3	Confident	71.5	Confident	69 Å²	69	58.4 Å²	58.4	32%	0.322	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.9	-176.9	-56.4	-171.2	144.6	0	0	109.6	C209 A210 Y212 K219	C209-E239 CarbonylContact C-O 3.57Å; C209-E239 VanDerWaalsContact CA-O 3.26Å; C209-E239 WeakPolarHBondContact CA-O 3.34Å; A210-E239 PolarHBondContact N-O 2.89Å; A210-E239 PolarHBondContact O-N 3.27Å; Y212-E239 HydrophobicContact CD2-CG 4.33Å; Y212-E239 HydrophobicContact CE2-CB 4.24Å; Y212-E239 HydrophobicContact CE2-CG 4.33Å; K219-E239 IonicContact NZ-OE1 2.73Å; K219-E239 PolarHBondContact NZ-OE1 2.81Å; K219-E239 IonicContact NZ-OE2 2.67Å; K219-E239 PolarHBondContact NZ-OE2 3.03Å
240	V	74.9	Confident	71.2	Confident	41 Å²	41	58.8 Å²	58.8	25%	0.248	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	139.6	176.8	-179.2	0	0	0	0	109	P176 L204 E242 L246	P176-V240 HydrophobicContact CB-CG2 3.8Å; P176-V240 HydrophobicContact CG-CG2 3.62Å; L204-V240 HydrophobicContact CD1-CG2 4.31Å; L204-V240 HydrophobicContact CD2-CG2 3.84Å; V240-E242 PolarHBondContact O-N 3.4Å; V240-L246 HydrophobicContact CG1-CD1 3.81Å
241	L	72.8	Confident	71.3	Confident	22 Å²	22	50.5 Å²	50.5	12%	0.115	28%	0.283	C	S	.	.			trans	-70.2	109.3	172.3	-59.6	178.6	0	0	0	109.3	C208 A210 N243 V244 K307	C208-L241 PolarHBondContact O-N 2.94Å; A210-L241 HydrophobicContact CB-CD2 4.11Å; L241-N243 PolarHBondContact O-N 3.17Å; L241-V244 HydrophobicContact CB-CG2 4.12Å; L241-V244 WeakPolarHBondContact O-CG2 3.48Å; L241-V244 PolarHBondContact O-N 3.46Å; L241-V244 VanDerWaalsContact O-N 3.12Å; L241-K307 HydrophobicContact CD2-CD 4.31Å
242	E	50.8	Low	71.3	Confident	171 Å²	171	53 Å²	53	80%	0.799	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-27	-159.6	-63.9	179.6	122	0	0	115.8	V240	V240-E242 PolarHBondContact O-N 3.4Å
243	N	49.7	Very low	71.6	Confident	103 Å²	103	58 Å²	58	55%	0.551	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	4.9	-174.5	-57.6	-35.8	0	0	0	114.1	L241 P245 Q299 L303	L241-N243 PolarHBondContact O-N 3.17Å; N243-P245 VanDerWaalsContact O-CD 3.3Å; N243-P245 WeakPolarHBondContact O-CD 3.5Å; N243-Q299 PolarHBondContact O-NE2 3.26Å; N243-Q299 VanDerWaalsContact O-NE2 3.14Å; N243-L303 VanDerWaalsContact C-CD1 3.41Å; N243-L303 HydrophobicContact CB-CD1 3.62Å; N243-L303 HydrophobicContact CB-CD2 3.56Å; N243-L303 HydrophobicContact CB-CG 4.16Å
244	V	49.9	Very low	72.2	Confident	14 Å²	14	59.4 Å²	59.4	9%	0.085	30%	0.298	C	S	.	.			trans	-79.4	116	175.8	-176.4	0	0	0	0	109.6	L241 L246 L300 L303	L241-V244 HydrophobicContact CB-CG2 4.12Å; L241-V244 WeakPolarHBondContact O-CG2 3.48Å; L241-V244 PolarHBondContact O-N 3.46Å; L241-V244 VanDerWaalsContact O-N 3.12Å; V244-L246 VanDerWaalsContact C-N 3.3Å; V244-L246 HydrophobicContact CB-CG 4.41Å; V244-L246 HydrophobicContact CG1-CD2 3.82Å; V244-L246 HydrophobicContact CG1-CG 4.01Å; V244-L246 PolarHBondContact O-N 3.15Å; V244-L300 HydrophobicContact CG1-CD1 3.99Å; V244-L300 HydrophobicContact CG2-CD1 3.83Å; V244-L303 HydrophobicContact CB-CD1 4.41Å; V244-L303 HydrophobicContact CG2-CD1 3.59Å
245	P	49.7	Very low	72.4	Confident	48 Å²	48	59.4 Å²	59.4	31%	0.312	30%	0.301	S	S	.	.			trans	-75	86.5	175	32	-35.1	0	0	0	109.6	N243 T247	N243-P245 VanDerWaalsContact O-CD 3.3Å; N243-P245 WeakPolarHBondContact O-CD 3.5Å; P245-T247 PolarHBondContact O-N 2.97Å
246	L	50.2	Low	72.3	Confident	52 Å²	52	56.9 Å²	56.9	27%	0.272	29%	0.289	S	S	.	.			trans	-71.2	61.5	177	-70.9	177.5	0	0	0	111.7	L204 C208 V240 V244 M293	L204-L246 HydrophobicContact CD2-CD1 4.04Å; C208-L246 HydrophobicContact CB-CD2 4.34Å; V240-L246 HydrophobicContact CG1-CD1 3.81Å; V244-L246 VanDerWaalsContact C-N 3.3Å; V244-L246 HydrophobicContact CB-CG 4.41Å; V244-L246 HydrophobicContact CG1-CD2 3.82Å; V244-L246 HydrophobicContact CG1-CG 4.01Å; V244-L246 PolarHBondContact O-N 3.15Å; L246-M293 HydrophobicContact CB-CE 3.87Å; L246-M293 WeakPolarHBondContact O-CE 3.31Å
247	T	60.3	Low	71.9	Confident	64 Å²	64	64.2 Å²	64.2	39%	0.393	32%	0.321	S	S	.	.			trans	-69.7	139.3	170.7	66.4	0	0	0	0	110	P245 C294	P245-T247 PolarHBondContact O-N 2.97Å; T247-C294 WeakPolarHBondContact O-CA 3.43Å; T247-C294 WeakPolarHBondContact O-CB 3.44Å; T247-C294 PolarHBondContact O-N 3.12Å; T247-C294 PolarHBondContact OG1-O 3.08Å
248	T	62	Low	71.5	Confident	102 Å²	102	64.7 Å²	64.7	63%	0.626	33%	0.327	S	S	*	.	B	Isolated β-bridge	trans	-74.6	150.5	170.3	49.1	0	0	0	0	110.6	N250 M293	T248-N250 PolarHBondContact O-N 3.03Å; T248-N250 VanDerWaalsContact O-N 3.1Å; T248-M293 HydrophobicContact CG2-CE 3.97Å; T248-M293 HydrophobicContact CG2-SD 4.11Å
249	H	72.4	Confident	71.3	Confident	25 Å²	25	68.5 Å²	68.5	12%	0.116	35%	0.347	C	S	.	.			trans	-68.5	109.6	176.5	-77.7	-77.8	0	0	0	112.7	F251 C275 C278 P291 M293 C294	H249-F251 HydrophobicContact CB-CD1 3.96Å; H249-F251 HydrophobicContact CB-CD2 3.66Å; H249-F251 HydrophobicContact CB-CE1 3.57Å; H249-F251 HydrophobicContact CB-CE2 3.27Å; H249-F251 HydrophobicContact CB-CG 3.99Å; H249-F251 HydrophobicContact CB-CZ 3.21Å; H249-F251 AromaticContact CD2-CZ 3.43Å; H249-F251 VanDerWaalsContact CD2-CZ 3.43Å; H249-F251 WeakPolarHBondContact CD2-CZ 3.39Å; H249-F251 AromaticContact CG-CE1 3.61Å; H249-F251 AromaticContact CG-CE2 3.81Å; H249-F251 AromaticContact CG-CZ 3.24Å; H249-F251 AromaticContact ND1-CE1 3.67Å; H249-F251 AromaticContact ND1-CZ 3.74Å; H249-F251 AromaticContact NE2-CZ 3.99Å; H249-F251 PolarHBondContact O-N 3.4Å; H249-C275 PolarHBondContact ND1-SG 3.33Å; H249-C278 PolarHBondContact CE1-SG 2.91Å; H249-P291 PolarHBondContact CD2-O 2.71Å; H249-P291 PolarHBondContact NE2-O 3.47Å; H249-M293 VanDerWaalsContact CD2-C 3.41Å; H249-M293 PolarHBondContact NE2-O 3.18Å; H249-C294 HydrophobicContact CB-CB 4.26Å; H249-C294 PolarHBondContact CD2-N 3.35Å; H249-C294 WeakPolarHBondContact ND1-CB 3.41Å
250	N	78.8	Confident	71.4	Confident	43 Å²	43	65.3 Å²	65.3	23%	0.23	33%	0.332	C	S	.	.			trans	-71.2	95.6	161.6	-179.9	-0.5	0	0	0	109.4	T248 C275 Q276	T248-N250 PolarHBondContact O-N 3.03Å; T248-N250 VanDerWaalsContact O-N 3.1Å; N250-C275 CarbonylContact O-C 3.56Å; N250-C275 VanDerWaalsContact O-CA 3.27Å; N250-C275 WeakPolarHBondContact O-CA 3.33Å; N250-Q276 VanDerWaalsContact CG-OE1 3.28Å; N250-Q276 PolarHBondContact ND2-OE1 3.45Å; N250-Q276 PolarHBondContact O-N 2.9Å; N250-Q276 PolarHBondContact OD1-OE1 3.16Å
251	F	84.8	Confident	71.9	Confident	30 Å²	30	65 Å²	65	13%	0.132	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	123.6	-179.4	-69.6	-53.7	0	0	0	112.4	H249 F273 C275 F282 V290 A751	H249-F251 HydrophobicContact CB-CD1 3.96Å; H249-F251 HydrophobicContact CB-CD2 3.66Å; H249-F251 HydrophobicContact CB-CE1 3.57Å; H249-F251 HydrophobicContact CB-CE2 3.27Å; H249-F251 HydrophobicContact CB-CG 3.99Å; H249-F251 HydrophobicContact CB-CZ 3.21Å; H249-F251 AromaticContact CD2-CZ 3.43Å; H249-F251 VanDerWaalsContact CD2-CZ 3.43Å; H249-F251 WeakPolarHBondContact CD2-CZ 3.39Å; H249-F251 AromaticContact CG-CE1 3.61Å; H249-F251 AromaticContact CG-CE2 3.81Å; H249-F251 AromaticContact CG-CZ 3.24Å; H249-F251 AromaticContact ND1-CE1 3.67Å; H249-F251 AromaticContact ND1-CZ 3.74Å; H249-F251 AromaticContact NE2-CZ 3.99Å; H249-F251 PolarHBondContact O-N 3.4Å; F251-F273 HydrophobicContact CB-CB 4.46Å; F251-F273 HydrophobicContact CB-CD1 4.27Å; F251-C275 HydrophobicContact CD1-CB 3.71Å; F251-C275 HydrophobicContact CE1-CB 3.71Å; F251-F282 AromaticContact CD1-CE1 3.67Å; F251-F282 HydrophobicContact CD1-CE1 3.67Å; F251-F282 HydrophobicContact CD1-CZ 4.4Å; F251-F282 HydrophobicContact CD2-CE1 4.27Å; F251-F282 HydrophobicContact CD2-CZ 4.26Å; F251-F282 HydrophobicContact CE1-CD1 4.27Å; F251-F282 AromaticContact CE1-CE1 3.47Å; F251-F282 HydrophobicContact CE1-CE1 3.47Å; F251-F282 VanDerWaalsContact CE1-CE1 3.47Å; F251-F282 HydrophobicContact CE1-CZ 4.34Å; F251-F282 HydrophobicContact CE2-CE1 4.07Å; F251-F282 HydrophobicContact CE2-CZ 4.16Å; F251-F282 HydrophobicContact CG-CE1 4.09Å; F251-F282 HydrophobicContact CG-CZ 4.38Å; F251-F282 AromaticContact CZ-CE1 3.67Å; F251-F282 HydrophobicContact CZ-CE1 3.67Å; F251-F282 HydrophobicContact CZ-CZ 4.21Å; F251-V290 HydrophobicContact CE1-CG1 4.47Å; F251-V290 HydrophobicContact CE2-CG1 4.22Å; F251-V290 HydrophobicContact CZ-CG1 3.58Å; F251-A751 VanDerWaalsContact O-CB 3.31Å; F251-A751 WeakPolarHBondContact O-CB 3.32Å
252	V	83.1	Confident	72.5	Confident	51 Å²	51	64 Å²	64	31%	0.309	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.1	173.1	172.4	0	0	0	0	110	K254 F273 R274 Q276	V252-K254 PolarHBondContact O-N 3.46Å; V252-F273 WeakPolarHBondContact O-CA 3.32Å; V252-R274 PolarHBondContact N-O 2.89Å; V252-R274 PolarHBondContact O-N 3.17Å; V252-Q276 HydrophobicContact CB-CG 4.45Å; V252-Q276 HydrophobicContact CG2-CG 3.82Å
253	R	86.8	Confident	74	Confident	173 Å²	173	56.7 Å²	56.7	65%	0.653	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	127.4	171.1	-71.8	-170.7	-171.3	-157.5	6.8	109.6	G272 F273	R253-G272 CarbonylContact C-O 3.53Å; R253-G272 WeakPolarHBondContact CA-O 3.36Å; R253-F273 HydrophobicContact CG-CD1 3.83Å; R253-F273 HydrophobicContact CG-CE1 3.4Å; R253-F273 HydrophobicContact CG-CZ 3.88Å
254	K	84.5	Confident	75.6	Confident	90 Å²	90	56.2 Å²	56.2	39%	0.391	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	134.9	-179.4	-177.1	163.3	-176.8	169.7	0	111.5	V252 F256 G272 R274	V252-K254 PolarHBondContact O-N 3.46Å; K254-F256 HydrophobicContact CB-CE2 3.97Å; K254-F256 HydrophobicContact CB-CZ 4.15Å; K254-F256 HydrophobicContact CD-CD1 4.45Å; K254-F256 HydrophobicContact CD-CE1 4.11Å; K254-F256 HydrophobicContact CD-CZ 4.22Å; K254-F256 HydrophobicContact CG-CD2 4.29Å; K254-F256 HydrophobicContact CG-CE1 4.37Å; K254-F256 HydrophobicContact CG-CE2 4.1Å; K254-F256 HydrophobicContact CG-CZ 4.16Å; K254-F256 WeakPolarHBondContact O-CD2 3.47Å; K254-F256 WeakPolarHBondContact O-CE2 3.11Å; K254-G272 PolarHBondContact N-O 3.42Å; K254-G272 PolarHBondContact O-N 3.49Å; K254-G272 VanDerWaalsContact O-N 3.08Å; K254-R274 HydrophobicContact CB-CB 4.48Å
255	T	85.8	Confident	77.1	Confident	47 Å²	47	57.3 Å²	57.3	29%	0.288	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	134.1	161.3	-52.7	0	0	0	0	108.5	F257 F270	T255-F257 HydrophobicContact CG2-CD1 4.45Å; T255-F257 HydrophobicContact CG2-CE1 4.03Å; T255-F257 HydrophobicContact CG2-CE2 4.31Å; T255-F257 HydrophobicContact CG2-CZ 3.95Å; T255-F270 CarbonylContact C-O 3.55Å; T255-F270 WeakPolarHBondContact CA-O 3.29Å; T255-F270 HydrophobicContact CG2-CE1 4.16Å; T255-F270 HydrophobicContact CG2-CE2 4.28Å; T255-F270 HydrophobicContact CG2-CZ 3.98Å
256	F	82.3	Confident	78.7	Confident	9 Å²	9	58 Å²	58	4%	0.039	29%	0.286	C	S	.	.			trans	-108.9	96.8	-177.4	-62.6	-99.9	0	0	0	108.5	K254 T258 A260 L269 F270 R274 K281	K254-F256 HydrophobicContact CB-CE2 3.97Å; K254-F256 HydrophobicContact CB-CZ 4.15Å; K254-F256 HydrophobicContact CD-CD1 4.45Å; K254-F256 HydrophobicContact CD-CE1 4.11Å; K254-F256 HydrophobicContact CD-CZ 4.22Å; K254-F256 HydrophobicContact CG-CD2 4.29Å; K254-F256 HydrophobicContact CG-CE1 4.37Å; K254-F256 HydrophobicContact CG-CE2 4.1Å; K254-F256 HydrophobicContact CG-CZ 4.16Å; K254-F256 WeakPolarHBondContact O-CD2 3.47Å; K254-F256 WeakPolarHBondContact O-CE2 3.11Å; F256-T258 PolarHBondContact O-N 2.74Å; F256-A260 HydrophobicContact CB-CB 3.99Å; F256-A260 HydrophobicContact CD1-CB 3.66Å; F256-A260 HydrophobicContact CE1-CB 4.34Å; F256-A260 HydrophobicContact CG-CB 3.96Å; F256-L269 WeakPolarHBondContact CB-O 3.4Å; F256-L269 HydrophobicContact CD2-CD2 4.22Å; F256-L269 HydrophobicContact CD2-CG 3.99Å; F256-L269 HydrophobicContact CE2-CD2 3.71Å; F256-L269 HydrophobicContact CE2-CG 3.92Å; F256-L269 HydrophobicContact CZ-CD2 3.92Å; F256-F270 PolarHBondContact N-O 3.34Å; F256-R274 HydrophobicContact CZ-CB 4.16Å; F256-K281 HydrophobicContact CE1-CB 4.42Å; F256-K281 HydrophobicContact CE1-CD 4.28Å; F256-K281 HydrophobicContact CZ-CB 4Å
257	F	79.2	Confident	80.4	Confident	153 Å²	153	61.9 Å²	61.9	67%	0.671	30%	0.301	S	S	*	.	S	Bend	trans	-74.2	-16.3	176.5	-60	-74.9	0	0	0	113.1	T255 N382	T255-F257 HydrophobicContact CG2-CD1 4.45Å; T255-F257 HydrophobicContact CG2-CE1 4.03Å; T255-F257 HydrophobicContact CG2-CE2 4.31Å; T255-F257 HydrophobicContact CG2-CZ 3.95Å; F257-N382 PolarHBondContact O-ND2 2.71Å
258	T	78.1	Confident	81.6	Confident	48 Å²	48	61.8 Å²	61.8	29%	0.294	30%	0.298	S	S	.	.	S	Bend	trans	-100.8	154.2	170.8	58.1	0	0	0	0	110.2	F256 A260	F256-T258 PolarHBondContact O-N 2.74Å; T258-A260 PolarHBondContact O-N 2.8Å
259	L	79.7	Confident	82.8	Confident	84 Å²	84	57 Å²	57	44%	0.44	27%	0.268	S	S	.	.			trans	-50.2	126.3	175.2	-162.6	76.6	0	0	0	111.4	F261 L268 A727	L259-F261 HydrophobicContact CD2-CE2 4.03Å; L259-F261 HydrophobicContact CD2-CZ 4.24Å; L259-F261 HydrophobicContact CG-CE2 4.13Å; L259-F261 HydrophobicContact CG-CZ 4.35Å; L259-L268 HydrophobicContact CD1-CD1 3.56Å; L259-L268 HydrophobicContact CG-CD1 4.4Å; L259-A727 HydrophobicContact CD2-CB 4.1Å
260	A	83	Confident	83.5	Confident	2 Å²	2	61.9 Å²	61.9	2%	0.017	29%	0.29	C	S	.	.			trans	-149.9	150.2	179.5	0	0	0	0	0	109.9	F256 T258 L269	F256-A260 HydrophobicContact CB-CB 3.99Å; F256-A260 HydrophobicContact CD1-CB 3.66Å; F256-A260 HydrophobicContact CE1-CB 4.34Å; F256-A260 HydrophobicContact CG-CB 3.96Å; T258-A260 PolarHBondContact O-N 2.8Å; A260-L269 PolarHBondContact O-N 3.1Å
261	F	85.4	Confident	83.8	Confident	35 Å²	35	65.7 Å²	65.7	15%	0.154	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-120.9	149.6	178.3	-62.5	-87.2	0	0	0	110.6	L259 R266 K267 K281 P723 Q724 A727	L259-F261 HydrophobicContact CD2-CE2 4.03Å; L259-F261 HydrophobicContact CD2-CZ 4.24Å; L259-F261 HydrophobicContact CG-CE2 4.13Å; L259-F261 HydrophobicContact CG-CZ 4.35Å; F261-R266 WeakPolarHBondContact CD1-O 3.42Å; F261-K267 WeakPolarHBondContact CA-O 3.39Å; F261-K281 WeakPolarHBondContact O-CE 3.5Å; F261-K281 WeakPolarHBondContact O-CG 3.49Å; F261-K281 PolarHBondContact O-NZ 2.74Å; F261-P723 WeakPolarHBondContact CE2-O 3.43Å; F261-Q724 HydrophobicContact CB-CG 4.48Å; F261-Q724 HydrophobicContact CD1-CG 4.22Å; F261-Q724 HydrophobicContact CD2-CB 4.34Å; F261-Q724 HydrophobicContact CD2-CG 4.13Å; F261-Q724 HydrophobicContact CE2-CG 4.43Å; F261-Q724 HydrophobicContact CG-CG 4.02Å; F261-A727 HydrophobicContact CD2-CB 3.96Å; F261-A727 HydrophobicContact CE2-CB 3.67Å
262	C	86.8	Confident	84	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.007	30%	0.302	C	S	.	.			trans	-69.6	126.4	172.5	176.2	0	0	0	0	110.2	F264 C265 R266 K267 K281 F282 H283	C262-F264 PolarHBondContact O-N 3.04Å; C262-C265 PolarHBondContact SG-N 2.99Å; C262-C265 VanDerWaalsContact SG-SG 3.69Å; C262-R266 WeakPolarHBondContact O-CA 3.44Å; C262-R266 PolarHBondContact O-N 3.07Å; C262-K267 PolarHBondContact N-O 3.16Å; C262-K281 CarbonylContact C-O 3.57Å; C262-K281 WeakPolarHBondContact CA-O 3.28Å; C262-F282 VanDerWaalsContact SG-CA 3.55Å; C262-H283 VanDerWaalsContact CB-CE1 3.44Å; C262-H283 WeakPolarHBondContact CB-CE1 3.44Å; C262-H283 VanDerWaalsContact CB-ND1 3.29Å; C262-H283 WeakPolarHBondContact CB-ND1 3.21Å
263	D	81.8	Confident	84.2	Confident	17 Å²	17	62.9 Å²	62.9	9%	0.091	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-22.1	-178	-69.5	-13.4	0	0	0	112.4	Y280 K281 R706	D263-Y280 HydrophobicContact CB-CD1 4.41Å; D263-Y280 HydrophobicContact CB-CD2 3.83Å; D263-Y280 HydrophobicContact CB-CE1 4.06Å; D263-Y280 HydrophobicContact CB-CE2 3.45Å; D263-Y280 VanDerWaalsContact CB-CE2 3.45Å; D263-Y280 HydrophobicContact CB-CG 4.29Å; D263-Y280 WeakPolarHBondContact OD2-CA 3.44Å; D263-K281 PolarHBondContact N-O 3.23Å; D263-K281 IonicContact OD1-NZ 3.76Å; D263-K281 PolarHBondContact OD1-NZ 2.82Å; D263-K281 PolarHBondContact OD2-N 3.41Å; D263-K281 IonicContact OD2-NZ 2.71Å; D263-R706 IonicContact OD2-CZ 3.7Å; D263-R706 IonicContact OD2-NH1 3.82Å; D263-R706 PolarHBondContact OD2-NH1 3.08Å; D263-R706 IonicContact OD2-NH2 2.73Å; D263-R706 PolarHBondContact OD2-NH2 3.4Å
264	F	83.1	Confident	84.1	Confident	92 Å²	92	59 Å²	59	40%	0.404	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-76.8	171.2	178.1	-106.6	0	0	0	111.8	C262 R266 Y280 C286 E289	C262-F264 PolarHBondContact O-N 3.04Å; F264-R266 PolarHBondContact O-N 3.5Å; F264-Y280 PolarHBondContact N-OH 3.11Å; F264-C286 HydrophobicContact CD1-CB 3.95Å; F264-E289 HydrophobicContact CD1-CB 4.03Å; F264-E289 HydrophobicContact CD1-CG 4.46Å; F264-E289 HydrophobicContact CD2-CB 3.96Å; F264-E289 HydrophobicContact CE1-CB 3.62Å; F264-E289 HydrophobicContact CE1-CG 3.68Å; F264-E289 HydrophobicContact CE2-CB 3.54Å; F264-E289 HydrophobicContact CE2-CG 4.24Å; F264-E289 HydrophobicContact CG-CB 4.19Å; F264-E289 HydrophobicContact CZ-CB 3.36Å; F264-E289 HydrophobicContact CZ-CG 3.55Å
265	C	82.1	Confident	84	Confident	37 Å²	37	54.8 Å²	54.8	25%	0.25	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	5.6	-170.4	75.3	0	0	0	0	114.9	C262 K267 H283	C262-C265 PolarHBondContact SG-N 2.99Å; C262-C265 VanDerWaalsContact SG-SG 3.69Å; C265-K267 WeakPolarHBondContact O-CG 3.34Å; C265-K267 PolarHBondContact O-N 2.84Å; C265-H283 PolarHBondContact SG-ND1 3.01Å
266	R	82.9	Confident	83.5	Confident	62 Å²	62	56 Å²	56	23%	0.234	26%	0.26	C	S	.	.			trans	53.9	8.2	178.1	-52.5	-63.3	-160.2	179.5	7	116.5	F261 C262 F264 D710 E718	F261-R266 WeakPolarHBondContact CD1-O 3.42Å; C262-R266 WeakPolarHBondContact O-CA 3.44Å; C262-R266 PolarHBondContact O-N 3.07Å; F264-R266 PolarHBondContact O-N 3.5Å; R266-D710 IonicContact CZ-OD2 2.68Å; R266-D710 VanDerWaalsContact CZ-OD2 3.27Å; R266-D710 IonicContact NH1-OD2 2.93Å; R266-D710 PolarHBondContact NH1-OD2 3.21Å; R266-D710 IonicContact NH2-OD2 2.8Å; R266-D710 PolarHBondContact NH2-OD2 2.87Å; R266-E718 PolarHBondContact NH2-O 3.13Å
267	K	85.7	Confident	82.8	Confident	135 Å²	135	59.9 Å²	59.9	59%	0.587	29%	0.285	S	S	*	.	S	Bend	trans	-87.1	157.9	177.8	-69.2	168.5	-174	177.8	0	112.7	F261 C262 C265 L269 H283	F261-K267 WeakPolarHBondContact CA-O 3.39Å; C262-K267 PolarHBondContact N-O 3.16Å; C265-K267 WeakPolarHBondContact O-CG 3.34Å; C265-K267 PolarHBondContact O-N 2.84Å; K267-L269 PolarHBondContact O-N 2.92Å; K267-H283 PolarHBondContact O-CE1 3.49Å
268	L	85.4	Confident	82.2	Confident	62 Å²	62	54.3 Å²	54.3	33%	0.325	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-52.3	130.1	179.1	-179.4	69.7	0	0	0	112.2	L259 H283 P381	L259-L268 HydrophobicContact CD1-CD1 3.56Å; L259-L268 HydrophobicContact CG-CD1 4.4Å; L268-H283 PolarHBondContact O-CE1 2.82Å; L268-H283 PolarHBondContact O-NE2 2.94Å; L268-P381 HydrophobicContact CD2-CB 4.48Å
269	L	86.9	Confident	82.1	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	26%	0.256	C	S	.	.			trans	-118.6	97.4	-172.9	177.7	63.7	0	0	0	110.5	F256 A260 K267 Q271 K281 H283	F256-L269 WeakPolarHBondContact CB-O 3.4Å; F256-L269 HydrophobicContact CD2-CD2 4.22Å; F256-L269 HydrophobicContact CD2-CG 3.99Å; F256-L269 HydrophobicContact CE2-CD2 3.71Å; F256-L269 HydrophobicContact CE2-CG 3.92Å; F256-L269 HydrophobicContact CZ-CD2 3.92Å; A260-L269 PolarHBondContact O-N 3.1Å; K267-L269 PolarHBondContact O-N 2.92Å; L269-Q271 WeakPolarHBondContact CD1-O 3.49Å; L269-K281 HydrophobicContact CD2-CB 3.95Å; L269-K281 HydrophobicContact CD2-CG 4.06Å; L269-H283 HydrophobicContact CD1-CB 4.32Å; L269-H283 VanDerWaalsContact CD1-CD2 3.43Å; L269-H283 WeakPolarHBondContact CD1-CD2 3.22Å
270	F	86.8	Confident	82.1	Confident	128 Å²	128	50.3 Å²	50.3	56%	0.561	24%	0.242	S	C	*	.	S	Bend	trans	-85.4	-41.6	174.6	179.2	-106.7	0	0	0	112.7	T255 F256	T255-F270 CarbonylContact C-O 3.55Å; T255-F270 WeakPolarHBondContact CA-O 3.29Å; T255-F270 HydrophobicContact CG2-CE1 4.16Å; T255-F270 HydrophobicContact CG2-CE2 4.28Å; T255-F270 HydrophobicContact CG2-CZ 3.98Å; F256-F270 PolarHBondContact N-O 3.34Å
271	Q	85.9	Confident	82.3	Confident	122 Å²	122	50.9 Å²	50.9	57%	0.57	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139	140.4	176.4	-167.8	179.7	16	0	0	109.9	L269	L269-Q271 WeakPolarHBondContact CD1-O 3.49Å
272	G	89	Confident	82.5	Confident	5 Å²	5	49.5 Å²	49.5	5%	0.052	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.4	-141.4	178.4	0	0	0	0	0	111.1	R253 K254 F282	R253-G272 CarbonylContact C-O 3.53Å; R253-G272 WeakPolarHBondContact CA-O 3.36Å; K254-G272 PolarHBondContact N-O 3.42Å; K254-G272 PolarHBondContact O-N 3.49Å; K254-G272 VanDerWaalsContact O-N 3.08Å; G272-F282 WeakPolarHBondContact CA-O 3.34Å
273	F	88.1	Confident	82.6	Confident	17 Å²	17	50.3 Å²	50.3	8%	0.075	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	151.9	-177.4	-64.2	-94	0	0	0	111.1	F251 V252 R253 K281 F282 Q284	F251-F273 HydrophobicContact CB-CB 4.46Å; F251-F273 HydrophobicContact CB-CD1 4.27Å; V252-F273 WeakPolarHBondContact O-CA 3.32Å; R253-F273 HydrophobicContact CG-CD1 3.83Å; R253-F273 HydrophobicContact CG-CE1 3.4Å; R253-F273 HydrophobicContact CG-CZ 3.88Å; F273-K281 VanDerWaalsContact O-CA 3.28Å; F273-K281 WeakPolarHBondContact O-CA 3.5Å; F273-F282 HydrophobicContact CB-CD1 4.01Å; F273-F282 HydrophobicContact CB-CE1 3.44Å; F273-F282 VanDerWaalsContact CB-CE1 3.44Å; F273-F282 HydrophobicContact CB-CE2 4.14Å; F273-F282 HydrophobicContact CB-CZ 3.52Å; F273-F282 AromaticContact CD2-CE2 3.87Å; F273-F282 HydrophobicContact CD2-CE2 3.87Å; F273-F282 AromaticContact CD2-CZ 3.95Å; F273-F282 HydrophobicContact CD2-CZ 3.95Å; F273-F282 HydrophobicContact CG-CE1 4.29Å; F273-F282 HydrophobicContact CG-CE2 4.26Å; F273-F282 AromaticContact CG-CZ 3.86Å; F273-F282 HydrophobicContact CG-CZ 3.86Å; F273-F282 PolarHBondContact N-O 3.29Å; F273-F282 PolarHBondContact O-N 2.97Å; F273-Q284 HydrophobicContact CE2-CB 3.98Å; F273-Q284 HydrophobicContact CE2-CG 4.08Å
274	R	84.2	Confident	82.8	Confident	93 Å²	93	55.1 Å²	55.1	35%	0.351	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	131.1	169.7	-177	178.8	178.5	-108.5	7	109.6	V252 K254 F256 Y280	V252-R274 PolarHBondContact N-O 2.89Å; V252-R274 PolarHBondContact O-N 3.17Å; K254-R274 HydrophobicContact CB-CB 4.48Å; F256-R274 HydrophobicContact CZ-CB 4.16Å; R274-Y280 CarbonylContact C-O 3.56Å; R274-Y280 WeakPolarHBondContact CA-O 3.49Å
275	C	81.9	Confident	82.9	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	130.8	170.2	-174.6	0	0	0	0	109.8	H249 N250 F251 T277 G279 Y280	H249-C275 PolarHBondContact ND1-SG 3.33Å; N250-C275 CarbonylContact O-C 3.56Å; N250-C275 VanDerWaalsContact O-CA 3.27Å; N250-C275 WeakPolarHBondContact O-CA 3.33Å; F251-C275 HydrophobicContact CD1-CB 3.71Å; F251-C275 HydrophobicContact CE1-CB 3.71Å; C275-T277 VanDerWaalsContact C-N 3.33Å; C275-T277 PolarHBondContact SG-N 2.73Å; C275-T277 VanDerWaalsContact SG-N 3.44Å; C275-G279 WeakPolarHBondContact O-CA 3.47Å; C275-G279 PolarHBondContact O-N 2.73Å; C275-G279 VanDerWaalsContact O-N 3.12Å; C275-Y280 PolarHBondContact N-O 3.2Å
276	Q	75.1	Confident	83	Confident	73 Å²	73	55.4 Å²	55.4	34%	0.341	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-37.1	174.6	-73.6	-179.5	-60.3	0	0	111.5	N250 V252	N250-Q276 VanDerWaalsContact CG-OE1 3.28Å; N250-Q276 PolarHBondContact ND2-OE1 3.45Å; N250-Q276 PolarHBondContact O-N 2.9Å; N250-Q276 PolarHBondContact OD1-OE1 3.16Å; V252-Q276 HydrophobicContact CB-CG 4.45Å; V252-Q276 HydrophobicContact CG2-CG 3.82Å
277	T	67.6	Low	82.9	Confident	90 Å²	90	55.6 Å²	55.6	55%	0.552	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-60.4	-174.9	-40.1	0	0	0	0	113.5	C275	C275-T277 VanDerWaalsContact C-N 3.33Å; C275-T277 PolarHBondContact SG-N 2.73Å; C275-T277 VanDerWaalsContact SG-N 3.44Å
278	C	67.2	Low	82.4	Confident	36 Å²	36	54.4 Å²	54.4	24%	0.243	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-3.5	-175.4	67.1	0	0	0	0	114.5	H249 Y280 C294 R706	H249-C278 PolarHBondContact CE1-SG 2.91Å; C278-Y280 PolarHBondContact O-N 2.98Å; C278-C294 VanDerWaalsContact SG-SG 3.63Å; C278-R706 PolarHBondContact O-NH2 2.86Å
279	G	75	Confident	81.9	Confident	11 Å²	11	56.8 Å²	56.8	11%	0.113	28%	0.282	C	S	.	.			trans	70.7	8.3	-179	0	0	0	0	0	115.7	C275 K281 R706	C275-G279 WeakPolarHBondContact O-CA 3.47Å; C275-G279 PolarHBondContact O-N 2.73Å; C275-G279 VanDerWaalsContact O-N 3.12Å; G279-K281 PolarHBondContact O-N 2.82Å; G279-R706 PolarHBondContact O-NH2 3.24Å
280	Y	80.7	Confident	81.1	Confident	37 Å²	37	57.1 Å²	57.1	15%	0.145	28%	0.284	C	S	.	.			trans	-57.6	129.6	176.9	-168.1	-86.7	0	0	0	110.5	D263 F264 R274 C275 C278 F282 V290	D263-Y280 HydrophobicContact CB-CD1 4.41Å; D263-Y280 HydrophobicContact CB-CD2 3.83Å; D263-Y280 HydrophobicContact CB-CE1 4.06Å; D263-Y280 HydrophobicContact CB-CE2 3.45Å; D263-Y280 VanDerWaalsContact CB-CE2 3.45Å; D263-Y280 HydrophobicContact CB-CG 4.29Å; D263-Y280 WeakPolarHBondContact OD2-CA 3.44Å; F264-Y280 PolarHBondContact N-OH 3.11Å; R274-Y280 CarbonylContact C-O 3.56Å; R274-Y280 WeakPolarHBondContact CA-O 3.49Å; C275-Y280 PolarHBondContact N-O 3.2Å; C278-Y280 PolarHBondContact O-N 2.98Å; Y280-F282 HydrophobicContact CD1-CD1 4.08Å; Y280-F282 HydrophobicContact CE1-CB 4.33Å; Y280-F282 HydrophobicContact CE1-CD1 4.24Å; Y280-V290 HydrophobicContact CD1-CG1 4.04Å; Y280-V290 HydrophobicContact CE1-CB 4.47Å; Y280-V290 HydrophobicContact CE1-CG1 3.74Å; Y280-V290 HydrophobicContact CE1-CG2 4.01Å
281	K	87.1	Confident	80.2	Confident	14 Å²	14	53.9 Å²	53.9	6%	0.061	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.4	-167.9	66.4	-164.4	-174.4	-58.8	0	112.7	F256 F261 C262 D263 L269 F273 G279	F256-K281 HydrophobicContact CE1-CB 4.42Å; F256-K281 HydrophobicContact CE1-CD 4.28Å; F256-K281 HydrophobicContact CZ-CB 4Å; F261-K281 WeakPolarHBondContact O-CE 3.5Å; F261-K281 WeakPolarHBondContact O-CG 3.49Å; F261-K281 PolarHBondContact O-NZ 2.74Å; C262-K281 CarbonylContact C-O 3.57Å; C262-K281 WeakPolarHBondContact CA-O 3.28Å; D263-K281 PolarHBondContact N-O 3.23Å; D263-K281 IonicContact OD1-NZ 3.76Å; D263-K281 PolarHBondContact OD1-NZ 2.82Å; D263-K281 PolarHBondContact OD2-N 3.41Å; D263-K281 IonicContact OD2-NZ 2.71Å; L269-K281 HydrophobicContact CD2-CB 3.95Å; L269-K281 HydrophobicContact CD2-CG 4.06Å; F273-K281 VanDerWaalsContact O-CA 3.28Å; F273-K281 WeakPolarHBondContact O-CA 3.5Å; G279-K281 PolarHBondContact O-N 2.82Å
282	F	89.4	Confident	79	Confident	6 Å²	6	53.5 Å²	53.5	3%	0.026	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	158.6	-172	66.7	-79	0	0	0	114.6	F251 C262 G272 F273 Y280 C286 V290	F251-F282 AromaticContact CD1-CE1 3.67Å; F251-F282 HydrophobicContact CD1-CE1 3.67Å; F251-F282 HydrophobicContact CD1-CZ 4.4Å; F251-F282 HydrophobicContact CD2-CE1 4.27Å; F251-F282 HydrophobicContact CD2-CZ 4.26Å; F251-F282 HydrophobicContact CE1-CD1 4.27Å; F251-F282 AromaticContact CE1-CE1 3.47Å; F251-F282 HydrophobicContact CE1-CE1 3.47Å; F251-F282 VanDerWaalsContact CE1-CE1 3.47Å; F251-F282 HydrophobicContact CE1-CZ 4.34Å; F251-F282 HydrophobicContact CE2-CE1 4.07Å; F251-F282 HydrophobicContact CE2-CZ 4.16Å; F251-F282 HydrophobicContact CG-CE1 4.09Å; F251-F282 HydrophobicContact CG-CZ 4.38Å; F251-F282 AromaticContact CZ-CE1 3.67Å; F251-F282 HydrophobicContact CZ-CE1 3.67Å; F251-F282 HydrophobicContact CZ-CZ 4.21Å; C262-F282 VanDerWaalsContact SG-CA 3.55Å; G272-F282 WeakPolarHBondContact CA-O 3.34Å; F273-F282 HydrophobicContact CB-CD1 4.01Å; F273-F282 HydrophobicContact CB-CE1 3.44Å; F273-F282 VanDerWaalsContact CB-CE1 3.44Å; F273-F282 HydrophobicContact CB-CE2 4.14Å; F273-F282 HydrophobicContact CB-CZ 3.52Å; F273-F282 AromaticContact CD2-CE2 3.87Å; F273-F282 HydrophobicContact CD2-CE2 3.87Å; F273-F282 AromaticContact CD2-CZ 3.95Å; F273-F282 HydrophobicContact CD2-CZ 3.95Å; F273-F282 HydrophobicContact CG-CE1 4.29Å; F273-F282 HydrophobicContact CG-CE2 4.26Å; F273-F282 AromaticContact CG-CZ 3.86Å; F273-F282 HydrophobicContact CG-CZ 3.86Å; F273-F282 PolarHBondContact N-O 3.29Å; F273-F282 PolarHBondContact O-N 2.97Å; Y280-F282 HydrophobicContact CD1-CD1 4.08Å; Y280-F282 HydrophobicContact CE1-CB 4.33Å; Y280-F282 HydrophobicContact CE1-CD1 4.24Å; F282-C286 HydrophobicContact CB-CB 4.49Å; F282-C286 HydrophobicContact CD2-CB 4.38Å; F282-V290 HydrophobicContact CB-CG2 4.03Å; F282-V290 HydrophobicContact CD1-CG1 4.37Å; F282-V290 HydrophobicContact CD1-CG2 3.88Å; F282-V290 HydrophobicContact CD2-CG2 3.43Å; F282-V290 VanDerWaalsContact CD2-CG2 3.43Å; F282-V290 HydrophobicContact CE1-CG1 4.21Å; F282-V290 HydrophobicContact CE1-CG2 4.16Å; F282-V290 HydrophobicContact CE2-CG2 3.78Å; F282-V290 HydrophobicContact CG-CG2 3.51Å; F282-V290 HydrophobicContact CZ-CG1 4.5Å; F282-V290 HydrophobicContact CZ-CG2 4.12Å
283	H	89.5	Confident	77.7	Confident	19 Å²	19	54.7 Å²	54.7	9%	0.088	28%	0.282	C	S	.	.			trans	-71.4	150.1	173	-60.3	104.1	0	0	0	111.4	C262 C265 K267 L268 L269 R285 C286	C262-H283 VanDerWaalsContact CB-CE1 3.44Å; C262-H283 WeakPolarHBondContact CB-CE1 3.44Å; C262-H283 VanDerWaalsContact CB-ND1 3.29Å; C262-H283 WeakPolarHBondContact CB-ND1 3.21Å; C265-H283 PolarHBondContact SG-ND1 3.01Å; K267-H283 PolarHBondContact O-CE1 3.49Å; L268-H283 PolarHBondContact O-CE1 2.82Å; L268-H283 PolarHBondContact O-NE2 2.94Å; L269-H283 HydrophobicContact CD1-CB 4.32Å; L269-H283 VanDerWaalsContact CD1-CD2 3.43Å; L269-H283 WeakPolarHBondContact CD1-CD2 3.22Å; H283-R285 VanDerWaalsContact C-N 3.26Å; H283-R285 HydrophobicContact CB-CG 4Å; H283-R285 PolarHBondContact O-N 2.83Å; H283-C286 WeakPolarHBondContact O-CB 3.39Å; H283-C286 PolarHBondContact O-N 2.94Å
284	Q	85.6	Confident	76.4	Confident	118 Å²	118	53.9 Å²	53.9	55%	0.551	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-53.4	-40.4	174.8	-179.8	168.1	-19	0	0	113.3	F273 C286 S287	F273-Q284 HydrophobicContact CE2-CB 3.98Å; F273-Q284 HydrophobicContact CE2-CG 4.08Å; Q284-C286 PolarHBondContact O-N 3.19Å; Q284-S287 WeakPolarHBondContact O-CB 3.44Å; Q284-S287 PolarHBondContact O-N 2.72Å; Q284-S287 PolarHBondContact O-OG 2.83Å; Q284-S287 VanDerWaalsContact O-OG 3.08Å
285	R	84.5	Confident	75	Confident	129 Å²	129	50.1 Å²	50.1	49%	0.487	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-66.5	-10.9	176.4	76.7	-161.5	175.5	-172.9	-5.4	115.8	H283 D375	H283-R285 VanDerWaalsContact C-N 3.26Å; H283-R285 HydrophobicContact CB-CG 4Å; H283-R285 PolarHBondContact O-N 2.83Å; R285-D375 WeakPolarHBondContact CD-OD2 3.36Å; R285-D375 IonicContact CZ-OD2 2.81Å; R285-D375 IonicContact NE-OD2 3.55Å; R285-D375 IonicContact NH1-OD2 3.62Å; R285-D375 PolarHBondContact NH1-OD2 3.41Å
286	C	84.7	Confident	73.5	Confident	6 Å²	6	52 Å²	52	4%	0.041	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-97	0.4	178.4	-62	0	0	0	0	112.2	F264 F282 H283 Q284 T288 E289 V290	F264-C286 HydrophobicContact CD1-CB 3.95Å; F282-C286 HydrophobicContact CB-CB 4.49Å; F282-C286 HydrophobicContact CD2-CB 4.38Å; H283-C286 WeakPolarHBondContact O-CB 3.39Å; H283-C286 PolarHBondContact O-N 2.94Å; Q284-C286 PolarHBondContact O-N 3.19Å; C286-T288 PolarHBondContact O-N 3.08Å; C286-T288 VanDerWaalsContact O-N 3.17Å; C286-E289 PolarHBondContact O-N 2.92Å; C286-V290 WeakPolarHBondContact O-CG2 3.42Å; C286-V290 PolarHBondContact O-N 3.19Å
287	S	81.7	Confident	72.1	Confident	65 Å²	65	54.7 Å²	54.7	46%	0.455	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-58.1	-29.5	-173.2	57.9	0	0	0	0	114.7	Q284 E289	Q284-S287 WeakPolarHBondContact O-CB 3.44Å; Q284-S287 PolarHBondContact O-N 2.72Å; Q284-S287 PolarHBondContact O-OG 2.83Å; Q284-S287 VanDerWaalsContact O-OG 3.08Å; S287-E289 VanDerWaalsContact C-N 3.28Å; S287-E289 PolarHBondContact O-N 3.22Å
288	T	73.9	Confident	70.9	Confident	111 Å²	111	52.3 Å²	52.3	68%	0.681	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-70.2	-24.3	178	55.5	0	0	0	0	113.4	C286	C286-T288 PolarHBondContact O-N 3.08Å; C286-T288 VanDerWaalsContact O-N 3.17Å
289	E	74.3	Confident	69.6	Low	111 Å²	111	54 Å²	54	52%	0.519	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-102.3	-2.8	-175.7	-50.7	-53.8	130.3	0	0	112.9	F264 C286 S287	F264-E289 HydrophobicContact CD1-CB 4.03Å; F264-E289 HydrophobicContact CD1-CG 4.46Å; F264-E289 HydrophobicContact CD2-CB 3.96Å; F264-E289 HydrophobicContact CE1-CB 3.62Å; F264-E289 HydrophobicContact CE1-CG 3.68Å; F264-E289 HydrophobicContact CE2-CB 3.54Å; F264-E289 HydrophobicContact CE2-CG 4.24Å; F264-E289 HydrophobicContact CG-CB 4.19Å; F264-E289 HydrophobicContact CZ-CB 3.36Å; F264-E289 HydrophobicContact CZ-CG 3.55Å; C286-E289 PolarHBondContact O-N 2.92Å; S287-E289 VanDerWaalsContact C-N 3.28Å; S287-E289 PolarHBondContact O-N 3.22Å
290	V	70.8	Confident	68.1	Low	9 Å²	9	53.9 Å²	53.9	6%	0.055	27%	0.269	C	S	.	.	S	Bend	trans	-79.9	133.9	178.6	177.8	0	0	0	0	109.9	F251 Y280 F282 C286 L292	F251-V290 HydrophobicContact CE1-CG1 4.47Å; F251-V290 HydrophobicContact CE2-CG1 4.22Å; F251-V290 HydrophobicContact CZ-CG1 3.58Å; Y280-V290 HydrophobicContact CD1-CG1 4.04Å; Y280-V290 HydrophobicContact CE1-CB 4.47Å; Y280-V290 HydrophobicContact CE1-CG1 3.74Å; Y280-V290 HydrophobicContact CE1-CG2 4.01Å; F282-V290 HydrophobicContact CB-CG2 4.03Å; F282-V290 HydrophobicContact CD1-CG1 4.37Å; F282-V290 HydrophobicContact CD1-CG2 3.88Å; F282-V290 HydrophobicContact CD2-CG2 3.43Å; F282-V290 VanDerWaalsContact CD2-CG2 3.43Å; F282-V290 HydrophobicContact CE1-CG1 4.21Å; F282-V290 HydrophobicContact CE1-CG2 4.16Å; F282-V290 HydrophobicContact CE2-CG2 3.78Å; F282-V290 HydrophobicContact CG-CG2 3.51Å; F282-V290 HydrophobicContact CZ-CG1 4.5Å; F282-V290 HydrophobicContact CZ-CG2 4.12Å; C286-V290 WeakPolarHBondContact O-CG2 3.42Å; C286-V290 PolarHBondContact O-N 3.19Å; V290-L292 PolarHBondContact O-N 3.32Å
291	P	67.9	Low	66.2	Low	60 Å²	60	55.4 Å²	55.4	39%	0.39	28%	0.279	S	S	.	.			trans	-51.4	135.3	172.3	-28	35.8	0	0	0	111.9	H249 M293	H249-P291 PolarHBondContact CD2-O 2.71Å; H249-P291 PolarHBondContact NE2-O 3.47Å; P291-M293 VanDerWaalsContact C-N 3.3Å; P291-M293 PolarHBondContact O-N 2.91Å
292	L	60.8	Low	64	Low	113 Å²	113	59 Å²	59	59%	0.592	30%	0.298	S	S	*	.	S	Bend	trans	-70.9	-28.4	-177.8	-62.1	175.8	0	0	0	112.5	V290	V290-L292 PolarHBondContact O-N 3.32Å
293	M	61	Low	61.5	Low	30 Å²	30	59.4 Å²	59.4	15%	0.148	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-104.5	134.1	-174.8	-53.6	-48.6	-77.2	0	0	111.7	G203 L246 T248 H249 P291 V295	G203-M293 WeakPolarHBondContact O-CG 3.3Å; L246-M293 HydrophobicContact CB-CE 3.87Å; L246-M293 WeakPolarHBondContact O-CE 3.31Å; T248-M293 HydrophobicContact CG2-CE 3.97Å; T248-M293 HydrophobicContact CG2-SD 4.11Å; H249-M293 VanDerWaalsContact CD2-C 3.41Å; H249-M293 PolarHBondContact NE2-O 3.18Å; P291-M293 VanDerWaalsContact C-N 3.3Å; P291-M293 PolarHBondContact O-N 2.91Å; M293-V295 HydrophobicContact CB-CG2 4.12Å; M293-V295 PolarHBondContact O-N 3.26Å
294	C	62.3	Low	59.1	Low	1 Å²	1	62.6 Å²	62.6	1%	0.007	32%	0.318	C	S	.	.			trans	-76.1	68.5	169	-175.2	0	0	0	0	110	T247 H249 C278 N296	T247-C294 WeakPolarHBondContact O-CA 3.43Å; T247-C294 WeakPolarHBondContact O-CB 3.44Å; T247-C294 PolarHBondContact O-N 3.12Å; T247-C294 PolarHBondContact OG1-O 3.08Å; H249-C294 HydrophobicContact CB-CB 4.26Å; H249-C294 PolarHBondContact CD2-N 3.35Å; H249-C294 WeakPolarHBondContact ND1-CB 3.41Å; C278-C294 VanDerWaalsContact SG-SG 3.63Å; C294-N296 PolarHBondContact O-N 2.82Å
295	V	54.7	Low	57	Low	14 Å²	14	60.4 Å²	60.4	9%	0.085	31%	0.313	C	S	.	.			trans	-59.4	113.1	173	-178.5	0	0	0	0	108.4	I205 M293 Y297 L300	I205-V295 HydrophobicContact CD1-CG2 3.98Å; M293-V295 HydrophobicContact CB-CG2 4.12Å; M293-V295 PolarHBondContact O-N 3.26Å; V295-Y297 VanDerWaalsContact C-N 3.34Å; V295-Y297 PolarHBondContact O-N 3.43Å; V295-L300 HydrophobicContact CG1-CB 4.39Å; V295-L300 HydrophobicContact CG1-CD1 4.24Å; V295-L300 HydrophobicContact CG1-CD2 4.1Å
296	N	49.5	Very low	54.6	Low	39 Å²	39	57 Å²	57	21%	0.209	31%	0.309	C	S	.	.			trans	-76.2	91.4	168.5	-171.3	46	0	0	0	107.7	C294 D298 Q299 K702	C294-N296 PolarHBondContact O-N 2.82Å; N296-D298 PolarHBondContact ND2-OD2 3.49Å; N296-D298 PolarHBondContact O-N 3.05Å; N296-D298 PolarHBondContact OD1-OD2 3.42Å; N296-Q299 PolarHBondContact O-N 3.43Å; N296-K702 PolarHBondContact ND2-NZ 3.47Å; N296-K702 PolarHBondContact OD1-NZ 2.83Å
297	Y	45.9	Very low	52.2	Low	129 Å²	129	60.5 Å²	60.5	51%	0.506	32%	0.323	S	S	.	.	H	α-helix	trans	-50	-26.6	-177.2	-83	-85.4	0	0	0	113.7	V295 Q299 L300	V295-Y297 VanDerWaalsContact C-N 3.34Å; V295-Y297 PolarHBondContact O-N 3.43Å; Y297-Q299 PolarHBondContact O-N 2.91Å; Y297-L300 PolarHBondContact O-N 3.41Å
298	D	42.7	Very low	50	Low	41 Å²	41	64.8 Å²	64.8	22%	0.219	33%	0.334	C	S	.	.	H	α-helix	trans	-47.7	-33.1	171.3	-63.7	-44.1	0	0	0	114.7	N296 K702 K705	N296-D298 PolarHBondContact ND2-OD2 3.49Å; N296-D298 PolarHBondContact O-N 3.05Å; N296-D298 PolarHBondContact OD1-OD2 3.42Å; D298-K702 VanDerWaalsContact OD2-CE 3.32Å; D298-K702 WeakPolarHBondContact OD2-CE 3.4Å; D298-K702 IonicContact OD2-NZ 2.71Å; D298-K702 PolarHBondContact OD2-NZ 2.81Å; D298-K705 VanDerWaalsContact OD1-CD 3.3Å; D298-K705 WeakPolarHBondContact OD1-CD 3.36Å; D298-K705 VanDerWaalsContact OD1-CE 3.3Å; D298-K705 WeakPolarHBondContact OD1-CE 2.95Å; D298-K705 IonicContact OD1-NZ 3.89Å; D298-K705 PolarHBondContact OD1-NZ 2.85Å
299	Q	39.9	Very low	48.1	Very low	71 Å²	71	65.8 Å²	65.8	33%	0.332	33%	0.329	S	S	.	.	H	α-helix	trans	-103.4	-17.1	-172.2	-132.7	158.9	-41.8	0	0	112.7	N243 N296 Y297 L303	N243-Q299 PolarHBondContact O-NE2 3.26Å; N243-Q299 VanDerWaalsContact O-NE2 3.14Å; N296-Q299 PolarHBondContact O-N 3.43Å; Y297-Q299 PolarHBondContact O-N 2.91Å; Q299-L303 WeakPolarHBondContact O-CB 3.43Å; Q299-L303 WeakPolarHBondContact O-CD1 3.47Å; Q299-L303 WeakPolarHBondContact O-CG 3.44Å; Q299-L303 PolarHBondContact O-N 3.43Å
300	L	42.7	Very low	46.1	Very low	9 Å²	9	67.2 Å²	67.2	5%	0.047	34%	0.336	C	S	.	.	H	α-helix	trans	-75.1	-46.9	179.4	-151.3	75.2	0	0	0	110.6	E207 C208 V244 V295 Y297 L302 L303 L304	E207-L300 HydrophobicContact CB-CD2 3.83Å; C208-L300 VanDerWaalsContact SG-CD1 3.53Å; V244-L300 HydrophobicContact CG1-CD1 3.99Å; V244-L300 HydrophobicContact CG2-CD1 3.83Å; V295-L300 HydrophobicContact CG1-CB 4.39Å; V295-L300 HydrophobicContact CG1-CD1 4.24Å; V295-L300 HydrophobicContact CG1-CD2 4.1Å; Y297-L300 PolarHBondContact O-N 3.41Å; L300-L302 VanDerWaalsContact C-N 3.29Å; L300-L302 PolarHBondContact O-N 2.76Å; L300-L303 PolarHBondContact O-N 2.85Å; L300-L304 HydrophobicContact CG-CD1 4.1Å; L300-L304 WeakPolarHBondContact O-CD1 3.44Å; L300-L304 PolarHBondContact O-N 2.81Å
301	D	41.5	Very low	44.3	Very low	68 Å²	68	73.9 Å²	73.9	36%	0.364	37%	0.366	S	S	.	.	H	α-helix	trans	-60.6	-41.7	174.2	-64.8	-26.3	0	0	0	110.8	L303 L304 V305	D301-L303 VanDerWaalsContact C-N 3.26Å; D301-L303 PolarHBondContact O-N 3.14Å; D301-L304 PolarHBondContact O-N 3.48Å; D301-V305 WeakPolarHBondContact O-CB 3.35Å; D301-V305 VanDerWaalsContact O-CG2 3.26Å; D301-V305 WeakPolarHBondContact O-CG2 3.5Å; D301-V305 PolarHBondContact O-N 3.25Å
302	L	41	Very low	42.6	Very low	89 Å²	89	76.9 Å²	76.9	47%	0.466	37%	0.374	S	S	.	.	H	α-helix	trans	-59	-37.3	177.3	-136.4	77.6	0	0	0	112.2	L300 S306	L300-L302 VanDerWaalsContact C-N 3.29Å; L300-L302 PolarHBondContact O-N 2.76Å; L302-S306 WeakPolarHBondContact O-CB 3.33Å; L302-S306 PolarHBondContact O-N 2.93Å; L302-S306 PolarHBondContact O-OG 3.35Å
303	L	37.5	Very low	40.9	Very low	15 Å²	15	77 Å²	77	8%	0.079	38%	0.382	C	S	.	.	H	α-helix	trans	-84	-34.5	-177.2	-77.5	162.3	0	0	0	114.4	N243 V244 Q299 L300 D301 V305 K307	N243-L303 VanDerWaalsContact C-CD1 3.41Å; N243-L303 HydrophobicContact CB-CD1 3.62Å; N243-L303 HydrophobicContact CB-CD2 3.56Å; N243-L303 HydrophobicContact CB-CG 4.16Å; V244-L303 HydrophobicContact CB-CD1 4.41Å; V244-L303 HydrophobicContact CG2-CD1 3.59Å; Q299-L303 WeakPolarHBondContact O-CB 3.43Å; Q299-L303 WeakPolarHBondContact O-CD1 3.47Å; Q299-L303 WeakPolarHBondContact O-CG 3.44Å; Q299-L303 PolarHBondContact O-N 3.43Å; L300-L303 PolarHBondContact O-N 2.85Å; D301-L303 VanDerWaalsContact C-N 3.26Å; D301-L303 PolarHBondContact O-N 3.14Å; L303-V305 VanDerWaalsContact C-N 3.25Å; L303-K307 PolarHBondContact O-N 3.14Å
304	L	38.6	Very low	39.3	Very low	87 Å²	87	83.2 Å²	83.2	46%	0.455	41%	0.408	S	S	.	.	H	α-helix	trans	-65.5	-33.4	169.1	-86.5	83.4	0	0	0	110.9	L300 D301	L300-L304 HydrophobicContact CG-CD1 4.1Å; L300-L304 WeakPolarHBondContact O-CD1 3.44Å; L300-L304 PolarHBondContact O-N 2.81Å; D301-L304 PolarHBondContact O-N 3.48Å
305	V	40.2	Very low	37.7	Very low	72 Å²	72	89 Å²	89	44%	0.436	45%	0.449	S	S	.	.	H	α-helix	trans	-71.9	-56	174.1	171.1	0	0	0	0	111.2	D301 L303 K307 F308 F309	D301-V305 WeakPolarHBondContact O-CB 3.35Å; D301-V305 VanDerWaalsContact O-CG2 3.26Å; D301-V305 WeakPolarHBondContact O-CG2 3.5Å; D301-V305 PolarHBondContact O-N 3.25Å; L303-V305 VanDerWaalsContact C-N 3.25Å; V305-K307 VanDerWaalsContact C-N 3.35Å; V305-K307 PolarHBondContact O-N 2.97Å; V305-F308 PolarHBondContact O-N 3.29Å; V305-F309 HydrophobicContact CG1-CD2 3.82Å; V305-F309 HydrophobicContact CG1-CE2 4.04Å; V305-F309 WeakPolarHBondContact O-CD2 3.28Å; V305-F309 PolarHBondContact O-N 2.87Å; V305-F309 VanDerWaalsContact O-N 3.14Å
306	S	35.8	Very low	36.3	Very low	57 Å²	57	96.9 Å²	96.9	40%	0.399	49%	0.485	S	S	.	.	H	α-helix	trans	-55.8	-45.2	-176.9	-70.4	0	0	0	0	112.8	L302 F308 F309 E310	L302-S306 WeakPolarHBondContact O-CB 3.33Å; L302-S306 PolarHBondContact O-N 2.93Å; L302-S306 PolarHBondContact O-OG 3.35Å; S306-F308 VanDerWaalsContact C-N 3.27Å; S306-F308 PolarHBondContact O-N 2.86Å; S306-F309 PolarHBondContact O-N 2.93Å; S306-E310 WeakPolarHBondContact O-CG 3.33Å; S306-E310 PolarHBondContact O-N 2.77Å
307	K	34.3	Very low	35.1	Very low	80 Å²	80	103.8 Å²	103.8	35%	0.348	52%	0.516	S	S	.	.	H	α-helix	trans	-73.5	-12.1	179.1	-68.1	-137.9	170.6	-165.5	0	114.8	L241 L303 V305 H311	L241-K307 HydrophobicContact CD2-CD 4.31Å; L303-K307 PolarHBondContact O-N 3.14Å; V305-K307 VanDerWaalsContact C-N 3.35Å; V305-K307 PolarHBondContact O-N 2.97Å; K307-H311 PolarHBondContact O-CD2 3.12Å
308	F	34.7	Very low	34.4	Very low	155 Å²	155	106.6 Å²	106.6	68%	0.68	53%	0.534	S	S	*	.	H	α-helix	trans	-83.3	-35.6	170	-131.2	-88.2	0	0	0	111.5	V305 S306	V305-F308 PolarHBondContact O-N 3.29Å; S306-F308 VanDerWaalsContact C-N 3.27Å; S306-F308 PolarHBondContact O-N 2.86Å
309	F	34.2	Very low	33.5	Very low	131 Å²	131	111.6 Å²	111.6	58%	0.575	57%	0.565	S	S	*	*	H	α-helix	trans	-86.7	-25.1	179.9	-76.8	-79	0	0	0	114.1	V305 S306 H311 H312	V305-F309 HydrophobicContact CG1-CD2 3.82Å; V305-F309 HydrophobicContact CG1-CE2 4.04Å; V305-F309 WeakPolarHBondContact O-CD2 3.28Å; V305-F309 PolarHBondContact O-N 2.87Å; V305-F309 VanDerWaalsContact O-N 3.14Å; S306-F309 PolarHBondContact O-N 2.93Å; F309-H311 PolarHBondContact O-N 3.49Å; F309-H311 VanDerWaalsContact O-N 3.12Å; F309-H312 CarbonylContact O-C 3.25Å; F309-H312 VanDerWaalsContact O-C 3.25Å; F309-H312 PolarHBondContact O-N 2.78Å
310	E	31.4	Very low	32.8	Very low	141 Å²	141	112.9 Å²	112.9	66%	0.659	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-22.2	170.3	-82.3	-178.6	135.1	0	0	113.1	S306	S306-E310 WeakPolarHBondContact O-CG 3.33Å; S306-E310 PolarHBondContact O-N 2.77Å
311	H	33.3	Very low	32	Very low	150 Å²	150	117.7 Å²	117.7	69%	0.694	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-6.2	175.8	-70.9	-58.9	0	0	0	114.4	K307 F309	K307-H311 PolarHBondContact O-CD2 3.12Å; F309-H311 PolarHBondContact O-N 3.49Å; F309-H311 VanDerWaalsContact O-N 3.12Å
312	H	32.2	Very low	31.2	Very low	122 Å²	122	123.9 Å²	123.9	57%	0.565	64%	0.643	S	S	*	*			trans	-145.1	77	177.3	-69.1	-67.7	0	0	0	111.6	F309 F314	F309-H312 CarbonylContact O-C 3.25Å; F309-H312 VanDerWaalsContact O-C 3.25Å; F309-H312 PolarHBondContact O-N 2.78Å; H312-F314 PolarHBondContact O-N 3.47Å
313	P	26.1	Very low	30.4	Very low	115 Å²	115	122.9 Å²	122.9	75%	0.747	66%	0.655	S	S	*	*			trans	-73.4	114.9	170.8	30	-32.6	0	0	0	110.4
314	F	27.3	Very low	29.8	Very low	161 Å²	161	129.1 Å²	129.1	71%	0.706	69%	0.693	S	S	*	*			trans	-87.8	128	163.9	-82.5	-87.6	0	0	0	109.6	H312	H312-F314 PolarHBondContact O-N 3.47Å
315	S	27.4	Very low	29.1	Very low	123 Å²	123	130.9 Å²	130.9	86%	0.86	71%	0.708	S	S	*	*			trans	-65.7	130.9	175.7	-56.4	0	0	0	0	110.9
316	Q	25.1	Very low	29.1	Very low	180 Å²	180	132.6 Å²	132.6	84%	0.841	72%	0.721	S	S	*	*			trans	-113.8	104.2	175.3	-176.7	-179.4	-7	0	0	109.5
317	E	25.9	Very low	28.5	Very low	184 Å²	184	137 Å²	137	86%	0.86	75%	0.745	S	S	*	*			trans	-102.4	146.3	165.7	-68.8	-163.5	132.7	0	0	110.7
318	E	31.3	Very low	27.9	Very low	187 Å²	187	138 Å²	138	87%	0.874	76%	0.762	S	S	*	*			trans	-92.3	124.4	176.4	-61.6	-172.9	130.7	0	0	110.5
319	V	24.1	Very low	27.4	Very low	146 Å²	146	138.9 Å²	138.9	89%	0.885	77%	0.768	S	S	*	*			trans	-135.4	142.3	164.7	-176.6	0	0	0	0	109.7
320	S	24	Very low	26.9	Very low	98 Å²	98	139.4 Å²	139.4	69%	0.685	78%	0.776	S	S	*	*			trans	-111.1	140.3	-166.8	58.5	0	0	0	0	114.6
321	S	25.9	Very low	26.6	Very low	110 Å²	110	138.3 Å²	138.3	77%	0.769	78%	0.783	S	S	*	*			trans	65.8	149.3	144.6	-57.7	0	0	0	0	121.2
322	E	24.1	Very low	26.4	Very low	199 Å²	199	137.4 Å²	137.4	93%	0.93	79%	0.79	S	S	*	*			trans	68.2	137.3	170.7	-51	-171.1	174.7	0	0	116.7
323	G	24	Very low	25.9	Very low	68 Å²	68	137 Å²	137	70%	0.701	80%	0.801	S	S	*	*			cis	174.7	166.8	-10.4	0	0	0	0	0	114.1
324	T	25.1	Very low	26.3	Very low	145 Å²	145	139.3 Å²	139.3	89%	0.89	81%	0.806	S	S	*	*			trans	85.7	157.1	166.2	-38.5	0	0	0	0	118.4
325	T	24.4	Very low	26.4	Very low	125 Å²	125	137.2 Å²	137.2	77%	0.767	81%	0.809	S	S	*	*			trans	-139	-160.8	-164.1	50.2	0	0	0	0	110.7
326	P	40.5	Very low	27.1	Very low	108 Å²	108	136.9 Å²	136.9	70%	0.701	80%	0.804	S	S	*	*				-127.9	175	-76.8	39.7	-24.3	0	0	0	113.9
327	V	22.7	Very low	27.1	Very low	149 Å²	149	134 Å²	134	90%	0.903	80%	0.803	S	S	*	*			trans	-140.5	151.9	157.5	-167.2	0	0	0	0	110.3
328	S	22.9	Very low	26.8	Very low	101 Å²	101	132.5 Å²	132.5	71%	0.706	80%	0.801	S	S	*	*			trans	-112.5	-173.5	-175.9	-66.4	0	0	0	0	112.7
329	E	23.6	Very low	26.6	Very low	173 Å²	173	128 Å²	128	81%	0.808	79%	0.791	S	S	*	*			trans	89.9	143.1	156.6	-49.8	-155	156.9	0	0	117.1
330	L	23.2	Very low	26.5	Very low	142 Å²	142	128 Å²	128	74%	0.743	79%	0.791	S	S	*	*			cis	-151.1	159.7	-14	-145.8	72.9	0	0	0	109.7
331	C	26.3	Very low	26.4	Very low	118 Å²	118	127.1 Å²	127.1	80%	0.797	80%	0.797	S	S	*	*			trans	-93.5	147.4	164.6	-58.4	0	0	0	0	111.4
332	P	27.4	Very low	26.2	Very low	132 Å²	132	125.9 Å²	125.9	86%	0.857	79%	0.789	S	S	*	*			trans	-105.7	168	142.7	-6.2	26.4	0	0	0	111.7
333	S	23.6	Very low	26.2	Very low	113 Å²	113	124.5 Å²	124.5	79%	0.79	79%	0.786	S	S	*	*			trans	-118.4	156.8	-166.4	57.7	0	0	0	0	115.2
334	L	32.8	Very low	26.1	Very low	163 Å²	163	130 Å²	130	85%	0.853	79%	0.787	S	S	*	*			trans	-41.8	150.6	163.2	-69.2	145.4	0	0	0	114.7
335	P	30.1	Very low	26	Very low	117 Å²	117	130 Å²	130	76%	0.76	78%	0.776	S	S	*	*			trans	-105.6	154.5	138.3	35	-29.5	0	0	0	112
336	P	42.8	Very low	25.9	Very low	116 Å²	116	129.9 Å²	129.9	75%	0.753	78%	0.776	S	S	*	*			trans	-110.1	162.4	-173.3	41	-34.3	0	0	0	114.4
337	S	25.3	Very low	25	Very low	120 Å²	120	129.1 Å²	129.1	84%	0.839	77%	0.77	S	S	*	*			trans	-171.3	164.5	160.9	-78.6	0	0	0	0	110
338	D	19.6	Very low	25	Very low	152 Å²	152	128.9 Å²	128.9	81%	0.813	77%	0.768	S	S	*	*			cis	-154.5	-177	-49.6	-154.6	-24.8	0	0	0	107.1
339	S	25.7	Very low	25	Very low	93 Å²	93	129.1 Å²	129.1	65%	0.65	77%	0.769	S	S	*	*			trans	-93.8	167.2	-179.3	58.4	0	0	0	0	113.4
340	T	22.4	Very low	25.2	Very low	146 Å²	146	127 Å²	127	90%	0.896	77%	0.771	S	S	*	*			trans	116.8	134	160	-51.5	0	0	0	0	114.9
341	G	22.3	Very low	25.3	Very low	79 Å²	79	125.6 Å²	125.6	81%	0.814	77%	0.773	S	S	*	*			trans	157.8	87	172.5	0	0	0	0	0	114.2
342	S	22.1	Very low	25.3	Very low	85 Å²	85	130.1 Å²	130.1	59%	0.594	78%	0.779	S	S	*	*			trans	-113.1	141	176.1	175	0	0	0	0	110.9	Y344	S342-Y344 WeakPolarHBondContact OG-CE2 3.39Å
343	I	23.9	Very low	25.1	Very low	169 Å²	169	128.4 Å²	128.4	87%	0.867	77%	0.77	S	S	*	*			trans	-135.3	144.9	170.6	-65.9	-174	0	0	0	110.8
344	Y	22.1	Very low	25.1	Very low	183 Å²	183	130.6 Å²	130.6	72%	0.718	77%	0.772	S	S	*	*			trans	-122.1	164.9	-176.2	-59.9	-99.5	0	0	0	110.6	S342	S342-Y344 WeakPolarHBondContact OG-CE2 3.39Å
345	H	23.5	Very low	24.7	Very low	145 Å²	145	128.2 Å²	128.2	67%	0.671	77%	0.766	S	S	*	*			cis	-131.6	-123.2	-1.2	-141.9	-14.6	0	0	0	109.6
346	T	21.7	Very low	24.9	Very low	124 Å²	124	130 Å²	130	76%	0.761	77%	0.767	S	S	*	*			cis	-141.1	117.1	-9.2	26.5	0	0	0	0	105.8
347	T	21.1	Very low	24	Very low	92 Å²	92	130.2 Å²	130.2	56%	0.564	77%	0.769	S	S	*	*				58.2	93.9	82.2	65.5	0	0	0	0	117.2
348	V	23.1	Very low	24	Very low	143 Å²	143	131.7 Å²	131.7	87%	0.867	77%	0.767	S	S	*	*			trans	-139.1	138.2	133.1	-179.5	0	0	0	0	108.2
349	S	23.3	Very low	24.4	Very low	106 Å²	106	128.6 Å²	128.6	74%	0.741	76%	0.757	S	S	*	*			trans	-123.1	157.6	169.1	-55.2	0	0	0	0	109.1
350	P	27.9	Very low	24.4	Very low	130 Å²	130	134.2 Å²	134.2	84%	0.844	77%	0.77	S	S	*	*				-145.1	158.9	104.3	37.5	-23.5	0	0	0	115.3
351	S	25.1	Very low	24.5	Very low	111 Å²	111	137.8 Å²	137.8	78%	0.776	77%	0.767	S	S	*	*			trans	-86.6	142.3	179.4	-38.7	0	0	0	0	113.1
352	K	25.5	Very low	24.6	Very low	213 Å²	213	141.1 Å²	141.1	93%	0.926	77%	0.772	S	S	*	*			trans	-168.9	175.6	143.5	-105.2	154.6	-170.2	177.6	0	111.1
353	S	22.7	Very low	24.9	Very low	97 Å²	97	142.4 Å²	142.4	68%	0.678	78%	0.781	S	S	*	*			trans	-126.3	154.4	-151.1	42.1	0	0	0	0	115
354	I	23.4	Very low	25.2	Very low	159 Å²	159	143.7 Å²	143.7	82%	0.815	78%	0.783	S	S	*	*			trans	72.3	151.9	162.7	-63.6	155.3	0	0	0	114.1
355	P	25.9	Very low	25.7	Very low	112 Å²	112	144.4 Å²	144.4	73%	0.727	79%	0.793	S	S	*	*			cis	-121.8	-176.7	-0.7	27.9	-5.8	0	0	0	115.9
356	I	34.5	Very low	26.1	Very low	155 Å²	155	144.6 Å²	144.6	80%	0.795	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-77.4	135.3	165.7	-61.2	159.5	0	0	0	110.8
357	P	23.6	Very low	26.7	Very low	121 Å²	121	147.9 Å²	147.9	79%	0.786	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-92.4	143.4	158.5	-1.5	21.4	0	0	0	111.6
358	N	24.3	Very low	27.3	Very low	150 Å²	150	154.5 Å²	154.5	80%	0.802	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-93.5	153.1	-177.8	-130.3	-21.1	0	0	0	112.5
359	S	28.2	Very low	27.7	Very low	87 Å²	87	155.6 Å²	155.6	61%	0.608	82%	0.821	S	S	*	*			trans	5.9	119.3	160	-164.1	0	0	0	0	119.2
360	F	25	Very low	28.5	Very low	211 Å²	211	159.7 Å²	159.7	93%	0.925	83%	0.829	S	S	*	*			trans	-109.6	128.3	142	-90.4	-87.8	0	0	0	109.6
361	R	25.5	Very low	28.7	Very low	221 Å²	221	163.6 Å²	163.6	83%	0.834	83%	0.833	S	S	*	*			trans	-91.4	136.9	169.5	-63.6	177.4	175.3	-168.2	-2.1	108.8
362	T	25	Very low	29.1	Very low	150 Å²	150	161.9 Å²	161.9	92%	0.92	83%	0.833	S	S	*	*			trans	-102.9	127.9	149.7	9.2	0	0	0	0	107.9
363	S	27.8	Very low	30	Very low	111 Å²	111	160.2 Å²	160.2	78%	0.776	83%	0.829	S	S	*	*			trans	-108.4	104.9	-173.5	163.6	0	0	0	0	109.9
364	E	30.1	Very low	31.3	Very low	196 Å²	196	167.3 Å²	167.3	92%	0.916	84%	0.84	S	S	*	*			trans	-154.8	68.1	160.6	-80.6	-142.6	124.3	0	0	111.3
365	E	32.6	Very low	32.9	Very low	198 Å²	198	164.7 Å²	164.7	93%	0.925	83%	0.828	S	S	*	*			trans	-156	60.3	160.5	-146.9	174.1	-141.4	0	0	113.6
366	D	32.1	Very low	34.8	Very low	149 Å²	149	170.2 Å²	170.2	80%	0.797	83%	0.834	S	S	*	*			trans	-152.1	93.1	171.6	-155.7	-12	0	0	0	111.3
367	H	34.5	Very low	36.2	Very low	193 Å²	193	168.5 Å²	168.5	89%	0.894	84%	0.836	S	S	*	*			trans	-173.7	42.7	161.5	-98.2	18.4	0	0	0	113.3
368	R	32.3	Very low	38.3	Very low	232 Å²	232	167.7 Å²	167.7	88%	0.875	83%	0.834	S	S	*	*	S	Bend	trans	-154.8	73.4	170.6	-137.4	172.9	-170.5	171.3	3.4	115.7
369	N	32	Very low	40.5	Very low	165 Å²	165	165.4 Å²	165.4	88%	0.882	83%	0.829	S	S	*	*			trans	168.4	85.5	142.3	-86.9	-23.1	0	0	0	110.8
370	Q	40.3	Very low	42.2	Very low	192 Å²	192	165.6 Å²	165.6	90%	0.897	84%	0.836	S	S	*	*			trans	-104.8	54.3	177.4	-162.3	177.4	88	0	0	112.3
371	F	31.6	Very low	44.5	Very low	212 Å²	212	159.1 Å²	159.1	93%	0.93	82%	0.815	S	S	*	*			trans	-155.8	134.3	163.9	-92.6	-69.7	0	0	0	110.3
372	G	34.5	Very low	46.8	Very low	76 Å²	76	154 Å²	154	78%	0.784	81%	0.805	S	S	*	*	S	Bend	trans	113.9	145.3	-179.9	0	0	0	0	0	113.7
373	Q	43.5	Very low	48.7	Very low	178 Å²	178	153.3 Å²	153.3	83%	0.832	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-64.4	141.9	-171.8	-62.7	-169.2	-1.6	0	0	112.8	D375	Q373-D375 PolarHBondContact O-N 2.67Å
374	R	50.6	Low	49.9	Very low	245 Å²	245	153.1 Å²	153.1	93%	0.925	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-61.1	120.6	162.7	-73	-178.1	175.5	170.4	-1.6	108.9	R376	R374-R376 PolarHBondContact O-N 2.78Å
375	D	56.3	Low	50.2	Low	105 Å²	105	150.5 Å²	150.5	56%	0.561	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-51.7	135.7	174	-87.5	-30	0	0	0	111.1	R285 Q373	R285-D375 WeakPolarHBondContact CD-OD2 3.36Å; R285-D375 IonicContact CZ-OD2 2.81Å; R285-D375 IonicContact NE-OD2 3.55Å; R285-D375 IonicContact NH1-OD2 3.62Å; R285-D375 PolarHBondContact NH1-OD2 3.41Å; Q373-D375 PolarHBondContact O-N 2.67Å
376	R	66	Low	50.2	Low	227 Å²	227	146.6 Å²	146.6	86%	0.857	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-73.7	130.8	169.3	-67.3	-175.4	176.5	112.5	-1.5	109.6	R374	R374-R376 PolarHBondContact O-N 2.78Å
377	S	64	Low	50.1	Low	120 Å²	120	144.2 Å²	144.2	84%	0.839	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-54.9	143.7	167.6	-58.1	0	0	0	0	110.8	S379	S377-S379 PolarHBondContact O-N 2.89Å
378	S	67.5	Low	50.2	Low	104 Å²	104	141.9 Å²	141.9	73%	0.727	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-66.1	119.7	179.7	50.2	0	0	0	0	111.5
379	S	70.8	Confident	49.9	Very low	101 Å²	101	138.4 Å²	138.4	71%	0.706	74%	0.74	S	S	*	*			trans	-70.9	175.1	165.5	58.2	0	0	0	0	111.5	S377	S377-S379 PolarHBondContact O-N 2.89Å
380	A	64.5	Low	49.8	Very low	91 Å²	91	136.1 Å²	136.1	75%	0.752	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-55.2	136.2	170.4	0	0	0	0	0	111.3
381	P	73.6	Confident	49.6	Very low	75 Å²	75	132.4 Å²	132.4	49%	0.487	72%	0.724	S	S	.	*	P	Polyproline II helix	trans	-79.5	170	175.4	34.1	-35.9	0	0	0	111.9	L268 V383	L268-P381 HydrophobicContact CD2-CB 4.48Å; P381-V383 PolarHBondContact O-N 2.82Å
382	N	74.2	Confident	49.7	Very low	115 Å²	115	126.1 Å²	126.1	62%	0.615	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-58.6	126.1	174.8	-65.2	-20	0	0	0	111.4	F257 H384	F257-N382 PolarHBondContact O-ND2 2.71Å; N382-H384 PolarHBondContact O-N 3.28Å
383	V	64.6	Low	50.1	Low	134 Å²	134	128.3 Å²	128.3	81%	0.812	69%	0.693	S	S	*	*			trans	-82.2	106.6	170.8	-179.5	0	0	0	0	108.6	P381	P381-V383 PolarHBondContact O-N 2.82Å
384	H	53.3	Low	49.9	Very low	108 Å²	108	125.3 Å²	125.3	50%	0.5	68%	0.683	S	S	.	*			trans	-85.4	115.6	168.7	-73.7	-71.7	0	0	0	109.5	N382 N386	N382-H384 PolarHBondContact O-N 3.28Å; H384-N386 PolarHBondContact O-N 3.29Å
385	I	36.2	Very low	49.4	Very low	141 Å²	141	117 Å²	117	72%	0.723	66%	0.656	S	S	*	*			trans	-76.8	105.3	164.9	-58.9	175	0	0	0	106.6	T387	I385-T387 VanDerWaalsContact C-N 3.27Å; I385-T387 PolarHBondContact O-N 2.78Å
386	N	32.8	Very low	48.5	Very low	115 Å²	115	117.9 Å²	117.9	62%	0.615	66%	0.66	S	S	*	*			trans	-74.5	88.4	162.7	-77.9	-8.3	0	0	0	107.2	H384 I388	H384-N386 PolarHBondContact O-N 3.29Å; N386-I388 PolarHBondContact O-N 2.97Å
387	T	28.5	Very low	47.3	Very low	99 Å²	99	113 Å²	113	61%	0.607	65%	0.65	S	S	*	*			trans	-66.1	97.8	173.5	-44.5	0	0	0	0	108.5	I385 E389	I385-T387 VanDerWaalsContact C-N 3.27Å; I385-T387 PolarHBondContact O-N 2.78Å; T387-E389 HydrophobicContact CG2-CG 4.32Å; T387-E389 PolarHBondContact O-N 3.34Å
388	I	36.4	Very low	46	Very low	145 Å²	145	115.7 Å²	115.7	74%	0.744	64%	0.642	S	S	*	*			trans	-64.9	110.8	148.1	-60	173.8	0	0	0	103.8	N386	N386-I388 PolarHBondContact O-N 2.97Å
389	E	26.8	Very low	44.4	Very low	158 Å²	158	117.9 Å²	117.9	74%	0.738	65%	0.646	S	S	*	*			trans	-61.1	127.1	175.1	-65.7	-169.9	153.2	0	0	108	T387 V391	T387-E389 HydrophobicContact CG2-CG 4.32Å; T387-E389 PolarHBondContact O-N 3.34Å; E389-V391 PolarHBondContact O-N 3.26Å
390	P	29.5	Very low	42.7	Very low	117 Å²	117	122.3 Å²	122.3	76%	0.76	66%	0.655	S	S	*	*			trans	-65.8	113.8	177.8	27	-32.2	0	0	0	107.6	N392	P390-N392 PolarHBondContact O-N 2.85Å
391	V	37.2	Very low	41	Very low	114 Å²	114	120.7 Å²	120.7	69%	0.691	65%	0.647	S	S	*	*			trans	-55.9	114.2	176	-179.8	0	0	0	0	107.9	E389 I393 L396	E389-V391 PolarHBondContact O-N 3.26Å; V391-I393 PolarHBondContact O-N 2.83Å; V391-L396 HydrophobicContact CG1-CD1 4.06Å
392	N	32.8	Very low	39	Very low	81 Å²	81	125.8 Å²	125.8	43%	0.433	67%	0.669	S	S	.	*			trans	-73.6	102.1	-176.3	-170.6	26.4	0	0	0	109.5	P390 D394 D395	P390-N392 PolarHBondContact O-N 2.85Å; N392-D394 PolarHBondContact O-N 2.93Å; N392-D395 PolarHBondContact ND2-OD2 3.23Å; N392-D395 PolarHBondContact O-N 3.03Å; N392-D395 VanDerWaalsContact O-N 3.09Å
393	I	42.2	Very low	36.9	Very low	122 Å²	122	128.2 Å²	128.2	63%	0.626	68%	0.677	S	S	*	*	H	α-helix	trans	-59.6	-30.5	-176.5	-61	176.5	0	0	0	110.6	V391 D395 L396 I397	V391-I393 PolarHBondContact O-N 2.83Å; I393-D395 VanDerWaalsContact C-N 3.34Å; I393-D395 PolarHBondContact O-N 2.81Å; I393-L396 PolarHBondContact O-N 2.91Å; I393-I397 HydrophobicContact CG2-CD1 4.15Å; I393-I397 WeakPolarHBondContact O-CG1 3.43Å; I393-I397 PolarHBondContact O-N 3.21Å
394	D	40.5	Very low	35.1	Very low	115 Å²	115	132.9 Å²	132.9	62%	0.615	68%	0.68	S	S	*	*	H	α-helix	trans	-67.1	-27	178.6	-65	-46.7	0	0	0	114	N392	N392-D394 PolarHBondContact O-N 2.93Å
395	D	39.3	Very low	33.9	Very low	70 Å²	70	132.6 Å²	132.6	37%	0.374	69%	0.69	S	S	.	*	H	α-helix	trans	-77.5	-33.6	174.1	-77.4	-60.9	0	0	0	111.6	N392 I393 I397 R398	N392-D395 PolarHBondContact ND2-OD2 3.23Å; N392-D395 PolarHBondContact O-N 3.03Å; N392-D395 VanDerWaalsContact O-N 3.09Å; I393-D395 VanDerWaalsContact C-N 3.34Å; I393-D395 PolarHBondContact O-N 2.81Å; D395-I397 PolarHBondContact O-N 2.91Å; D395-R398 PolarHBondContact O-N 3.04Å; D395-R398 VanDerWaalsContact O-N 3.14Å; D395-R398 IonicContact OD1-CZ 3.21Å; D395-R398 IonicContact OD1-NH1 2.69Å; D395-R398 PolarHBondContact OD1-NH1 3.04Å; D395-R398 IonicContact OD1-NH2 2.9Å; D395-R398 PolarHBondContact OD1-NH2 2.89Å
396	L	38.4	Very low	33.6	Very low	123 Å²	123	133.4 Å²	133.4	64%	0.644	70%	0.696	S	S	*	*	H	α-helix	trans	-68.9	-21.6	177.1	-121.1	145.9	0	0	0	113.1	V391 I393	V391-L396 HydrophobicContact CG1-CD1 4.06Å; I393-L396 PolarHBondContact O-N 2.91Å
397	I	39.5	Very low	33.2	Very low	126 Å²	126	131.8 Å²	131.8	65%	0.646	71%	0.706	S	S	*	*	H	α-helix	trans	-82.6	-22.2	174.3	-67.2	168.7	0	0	0	111.7	I393 D395	I393-I397 HydrophobicContact CG2-CD1 4.15Å; I393-I397 WeakPolarHBondContact O-CG1 3.43Å; I393-I397 PolarHBondContact O-N 3.21Å; D395-I397 PolarHBondContact O-N 2.91Å
398	R	38.2	Very low	33.1	Very low	175 Å²	175	131 Å²	131	66%	0.66	72%	0.717	S	S	*	*	H	α-helix	trans	-84.2	-18	-174.5	-158.3	171.8	67.1	-111.2	-7.8	114.2	D395	D395-R398 PolarHBondContact O-N 3.04Å; D395-R398 VanDerWaalsContact O-N 3.14Å; D395-R398 IonicContact OD1-CZ 3.21Å; D395-R398 IonicContact OD1-NH1 2.69Å; D395-R398 PolarHBondContact OD1-NH1 3.04Å; D395-R398 IonicContact OD1-NH2 2.9Å; D395-R398 PolarHBondContact OD1-NH2 2.89Å
399	D	33.8	Very low	32.5	Very low	151 Å²	151	129.3 Å²	129.3	81%	0.807	72%	0.718	S	S	*	*	S	Bend	trans	-97.6	3.9	-167.5	-129	30	0	0	0	115.5	G401	D399-G401 PolarHBondContact O-N 3.18Å; D399-G401 VanDerWaalsContact O-N 3.15Å
400	Q	34.9	Very low	32.6	Very low	194 Å²	194	127.5 Å²	127.5	91%	0.907	72%	0.719	S	S	*	*	S	Bend	trans	-83	32.4	168.1	-64.4	-165.3	2.3	0	0	112.6
401	G	29.1	Very low	32.6	Very low	56 Å²	56	128.7 Å²	128.7	58%	0.577	72%	0.724	S	S	*	*	S	Bend	trans	-120.3	80.7	-167.2	0	0	0	0	0	115.3	D399	D399-G401 PolarHBondContact O-N 3.18Å; D399-G401 VanDerWaalsContact O-N 3.15Å
402	L	31	Very low	32.1	Very low	183 Å²	183	126.5 Å²	126.5	96%	0.958	73%	0.725	S	S	*	*			trans	74.5	156.4	166.3	-61.4	164.3	0	0	0	118.2
403	Q	29.4	Very low	31.9	Very low	165 Å²	165	131.4 Å²	131.4	77%	0.771	75%	0.75	S	S	*	*			trans	-103.8	152.5	-172	-57.1	167	-11.9	0	0	111.6
404	R	28.3	Very low	31.2	Very low	232 Å²	232	130.7 Å²	130.7	88%	0.875	76%	0.755	S	S	*	*				171.8	157.6	104.6	-93.6	179	-175.8	-163.2	-0.8	115.9
405	S	27.8	Very low	30.6	Very low	102 Å²	102	130 Å²	130	71%	0.713	77%	0.765	S	S	*	*			trans	-36.1	137.8	170.2	-151.9	0	0	0	0	117.2
406	D	28.8	Very low	30.3	Very low	159 Å²	159	132.7 Å²	132.7	85%	0.85	79%	0.785	S	S	*	*				-171	175.9	91.5	-91.9	-18.1	0	0	0	110.8
407	G	25.5	Very low	30	Very low	81 Å²	81	132.7 Å²	132.7	84%	0.835	79%	0.792	S	S	*	*			trans	-137.4	170.9	-173.7	0	0	0	0	0	115.2
408	G	25.5	Very low	29.6	Very low	81 Å²	81	132.7 Å²	132.7	84%	0.835	80%	0.801	S	S	*	*			trans	165	102.7	175.3	0	0	0	0	0	117.4
409	S	25.1	Very low	29.1	Very low	110 Å²	110	128.8 Å²	128.8	77%	0.769	81%	0.805	S	S	*	*			trans	23.4	137.1	147	-81.6	0	0	0	0	125.3
410	T	27.6	Very low	28.9	Very low	121 Å²	121	127.2 Å²	127.2	74%	0.742	81%	0.807	S	S	*	*			trans	77.6	142.4	136.7	58.8	0	0	0	0	123.1
411	T	29.3	Very low	28.5	Very low	141 Å²	141	125.9 Å²	125.9	87%	0.865	81%	0.805	S	S	*	*			trans	63.7	142.6	172.6	69.3	0	0	0	0	115.9
412	G	27	Very low	29	Very low	69 Å²	69	129 Å²	129	71%	0.711	82%	0.815	S	S	*	*			cis	108.6	91	-8.6	0	0	0	0	0	114.5
413	L	29.6	Very low	28.8	Very low	183 Å²	183	124 Å²	124	96%	0.958	81%	0.808	S	S	*	*			trans	-165.6	173.9	153.2	-111.1	172.4	0	0	0	111.8
414	S	27.4	Very low	28.5	Very low	107 Å²	107	121.4 Å²	121.4	75%	0.748	81%	0.808	S	S	*	*			trans	-95.8	152.3	-172	-178.1	0	0	0	0	113.6
415	A	27.9	Very low	28.5	Very low	100 Å²	100	117.6 Å²	117.6	83%	0.826	80%	0.804	S	S	*	*			trans	-147.9	128.8	159.6	0	0	0	0	0	111.7
416	T	32	Very low	28.5	Very low	128 Å²	128	118.9 Å²	118.9	79%	0.785	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-96.7	153.9	169.6	34.7	0	0	0	0	111.4
417	P	32.7	Very low	28.4	Very low	122 Å²	122	118.9 Å²	118.9	79%	0.792	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-91.2	146.3	-178	35.2	-34.5	0	0	0	113.4
418	P	31.8	Very low	28.6	Very low	127 Å²	127	121 Å²	121	83%	0.825	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-99.7	148.4	164.3	35.9	-30.4	0	0	0	112.9
419	A	27.2	Very low	28.6	Very low	92 Å²	92	126.6 Å²	126.6	76%	0.76	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-87.6	159.8	159.4	0	0	0	0	0	109.2
420	S	28.5	Very low	28.8	Very low	119 Å²	119	125.8 Å²	125.8	83%	0.832	81%	0.805	S	S	*	*				-174.8	176.8	70.1	-62.6	0	0	0	0	113.3
421	L	28.2	Very low	28.9	Very low	166 Å²	166	126 Å²	126	87%	0.869	81%	0.809	S	S	*	*			trans	-71.5	-176.9	173.4	-62.8	167.3	0	0	0	112.2
422	P	39.1	Very low	28.9	Very low	122 Å²	122	128.2 Å²	128.2	79%	0.792	81%	0.809	S	S	*	*			cis	-146.9	168.4	11.5	43.2	-23.2	0	0	0	120.4
423	G	25.6	Very low	29.1	Very low	78 Å²	78	134.4 Å²	134.4	80%	0.804	82%	0.816	S	S	*	*			trans	82.3	164.1	150.9	0	0	0	0	0	118.7
424	S	24.6	Very low	29	Very low	110 Å²	110	131.1 Å²	131.1	77%	0.769	81%	0.809	S	S	*	*			cis	-165.4	161.4	-21.3	-161.5	0	0	0	0	112
425	L	26.6	Very low	29.5	Very low	151 Å²	151	131.6 Å²	131.6	79%	0.791	81%	0.809	S	S	*	*			trans	76.1	133.7	163.1	-54	-178.6	0	0	0	122.7
426	T	29.4	Very low	29.3	Very low	130 Å²	130	132.6 Å²	132.6	80%	0.798	81%	0.809	S	S	*	*			trans	97.1	110.9	149.2	71.8	0	0	0	0	122.9
427	N	26	Very low	29.2	Very low	158 Å²	158	135.3 Å²	135.3	85%	0.845	81%	0.813	S	S	*	*				88.9	157.4	129.5	-110.1	-19.5	0	0	0	124.5
428	V	29	Very low	29.1	Very low	125 Å²	125	138.8 Å²	138.8	76%	0.758	82%	0.818	S	S	*	*			trans	72.6	73.4	170.1	-154.9	0	0	0	0	119.7
429	K	26.6	Very low	29	Very low	200 Å²	200	144.9 Å²	144.9	87%	0.87	83%	0.825	S	S	*	*				36.7	119.4	115.5	-152.7	172	-170	175.9	0	119.6
430	A	28.6	Very low	29.1	Very low	93 Å²	93	148.8 Å²	148.8	77%	0.769	83%	0.827	S	S	*	*			trans	-80	156.8	173.4	0	0	0	0	0	114.6
431	P	30.6	Very low	29.2	Very low	125 Å²	125	153.8 Å²	153.8	81%	0.812	83%	0.828	S	S	*	*			trans	-93	148.8	172.1	35.5	-32.9	0	0	0	113.7
432	Q	29.5	Very low	29.2	Very low	188 Å²	188	155.2 Å²	155.2	88%	0.879	83%	0.827	S	S	*	*			trans	-131.1	149.6	161.8	-80.9	-158.4	1.9	0	0	111.9
433	K	29.6	Very low	28.7	Very low	198 Å²	198	154.3 Å²	154.3	86%	0.861	82%	0.824	S	S	*	*			trans	-6.6	134	165.3	-59.1	175.5	177.7	178.4	0	119.2
434	S	28	Very low	29.1	Very low	114 Å²	114	155.9 Å²	155.9	80%	0.797	82%	0.823	S	S	*	*			trans	-176	174.1	136	51.9	0	0	0	0	109.6
435	P	37.7	Very low	29.4	Very low	118 Å²	118	156.1 Å²	156.1	77%	0.766	82%	0.824	S	S	*	*				-129.1	-179.1	-60.6	39.3	-26	0	0	0	113.2
436	C	23.7	Very low	29.7	Very low	120 Å²	120	154 Å²	154	81%	0.811	82%	0.822	S	S	*	*			trans	-76.2	155.5	173.5	-173.9	0	0	0	0	112.5
437	Q	29.8	Very low	30.1	Very low	186 Å²	186	152 Å²	152	87%	0.869	81%	0.814	S	S	*	*			trans	-124.6	146.1	165.1	-72.1	-168.7	-0.6	0	0	111.5
438	Q	30.2	Very low	30.7	Very low	195 Å²	195	153.3 Å²	153.3	91%	0.911	82%	0.815	S	S	*	*			trans	-94.7	154.9	176.9	-62.5	170.3	-58.2	0	0	111.3
439	R	31.3	Very low	31.1	Very low	255 Å²	255	154.7 Å²	154.7	96%	0.962	82%	0.817	S	S	*	*			trans	-145.1	149.6	157.6	-164.8	168.5	-179.6	175	0.2	110.5
440	E	29.5	Very low	31.9	Very low	174 Å²	174	156.8 Å²	156.8	81%	0.813	82%	0.82	S	S	*	*			trans	-99.7	148.6	-162	-62	-173.3	89.3	0	0	116.4
441	R	29	Very low	32.7	Very low	223 Å²	223	158 Å²	158	84%	0.842	82%	0.818	S	S	*	*			trans	20.4	149.1	142.7	-80.5	177.4	159.4	167.2	-5.7	123.1
442	K	28.1	Very low	33	Very low	196 Å²	196	161 Å²	161	85%	0.852	82%	0.818	S	S	*	*			trans	85.9	150.2	159.4	-70	180	178.9	178.8	0	117.9
443	S	30.3	Very low	33.3	Very low	103 Å²	103	161.5 Å²	161.5	72%	0.72	82%	0.823	S	S	*	*			cis	173.9	126.5	-45.5	47.1	0	0	0	0	111.8
444	S	33.3	Very low	33.8	Very low	112 Å²	112	160.5 Å²	160.5	78%	0.783	82%	0.819	S	S	*	*			trans	-171.5	140.1	157.7	50.9	0	0	0	0	113.5
445	S	30.4	Very low	34.5	Very low	115 Å²	115	161.8 Å²	161.8	80%	0.804	82%	0.822	S	S	*	*			trans	12.9	147.9	151.9	54.5	0	0	0	0	121.7
446	S	32.6	Very low	34.7	Very low	107 Å²	107	163.8 Å²	163.8	75%	0.748	83%	0.825	S	S	*	*			cis	-147.1	168.8	34.8	63.1	0	0	0	0	117.1
447	S	38.1	Very low	35.3	Very low	88 Å²	88	160.6 Å²	160.6	62%	0.615	81%	0.813	S	S	*	*			trans	-35.5	158.9	151.6	31.9	0	0	0	0	115.7
448	E	39.5	Very low	36	Very low	185 Å²	185	162.6 Å²	162.6	86%	0.864	81%	0.813	S	S	*	*			cis	-159.4	123.3	0.1	-110.3	153	138.5	0	0	109.1
449	D	35.9	Very low	36.7	Very low	153 Å²	153	162.7 Å²	162.7	82%	0.818	81%	0.805	S	S	*	*			trans	-167.2	121.8	144	-153.7	-26.6	0	0	0	109.8
450	R	44.1	Very low	37.3	Very low	245 Å²	245	155.9 Å²	155.9	93%	0.925	79%	0.787	S	S	*	*			trans	-144	31.2	-174.9	-145.1	-177	-174	-129.4	-1.6	115.2
451	T	44.8	Very low	38.6	Very low	118 Å²	118	150.2 Å²	150.2	72%	0.724	77%	0.767	S	S	*	*			trans	-136.9	52.3	-173.6	-20.5	0	0	0	0	115
452	K	36.8	Very low	39.7	Very low	188 Å²	188	140.4 Å²	140.4	82%	0.817	73%	0.732	S	S	*	*			trans	-162.5	50.2	161.9	-106.3	143.8	-163	169.7	0	115.6	K454	K452-K454 PolarHBondContact O-N 3.39Å
453	M	35.9	Very low	41.1	Very low	199 Å²	199	135.4 Å²	135.4	98%	0.98	72%	0.715	S	S	*	*			trans	-69.1	76.6	151.6	-88.2	-173	159.7	0	0	109	T455	M453-T455 PolarHBondContact O-N 2.78Å
454	K	40.8	Very low	43	Very low	177 Å²	177	135.2 Å²	135.2	77%	0.77	71%	0.706	S	S	*	*			trans	-58.4	129.3	161.9	-86.3	-172	172.7	-176.6	0	107	K452 L456	K452-K454 PolarHBondContact O-N 3.39Å; K454-L456 VanDerWaalsContact C-N 3.32Å; K454-L456 PolarHBondContact O-N 3.01Å
455	T	43.5	Very low	45.5	Very low	140 Å²	140	133.7 Å²	133.7	86%	0.859	68%	0.683	S	S	*	*			trans	-57.8	97.7	167.3	-44.1	0	0	0	0	108	M453 G457	M453-T455 PolarHBondContact O-N 2.78Å; T455-G457 VanDerWaalsContact C-N 3.28Å; T455-G457 PolarHBondContact O-N 2.97Å
456	L	40.7	Very low	48.3	Very low	160 Å²	160	131.2 Å²	131.2	84%	0.838	66%	0.659	S	S	*	*			trans	-65.3	98.8	167.6	-82.3	170.5	0	0	0	105.9	K454 R458	K454-L456 VanDerWaalsContact C-N 3.32Å; K454-L456 PolarHBondContact O-N 3.01Å; L456-R458 PolarHBondContact O-N 3.41Å
457	G	37.1	Very low	51.2	Low	54 Å²	54	126.4 Å²	126.4	56%	0.557	63%	0.625	S	S	*	*			trans	-50.8	139.9	175.9	0	0	0	0	0	109.2	T455 R459	T455-G457 VanDerWaalsContact C-N 3.28Å; T455-G457 PolarHBondContact O-N 2.97Å; G457-R459 PolarHBondContact O-N 3.19Å
458	R	45.3	Very low	53.6	Low	228 Å²	228	125.8 Å²	125.8	86%	0.86	62%	0.618	S	S	*	*			trans	-57.2	88.2	176.9	179	-177.1	178.5	-86.2	6	108.8	L456 D460	L456-R458 PolarHBondContact O-N 3.41Å; R458-D460 PolarHBondContact O-N 2.78Å
459	R	43.3	Very low	55.8	Low	197 Å²	197	122.6 Å²	122.6	74%	0.743	60%	0.603	S	S	*	*			trans	-50.4	127.1	175.8	-80.3	-173.1	172.3	-176.9	-4.2	107.2	G457 S461	G457-R459 PolarHBondContact O-N 3.19Å; R459-S461 PolarHBondContact O-N 3.49Å
460	D	44.7	Very low	58.2	Low	111 Å²	111	118.9 Å²	118.9	59%	0.594	60%	0.601	S	S	*	*			trans	-70.5	132.8	172.6	-167.8	17.2	0	0	0	107.5	R458 S462 D463	R458-D460 PolarHBondContact O-N 2.78Å; D460-S462 PolarHBondContact O-N 3.29Å; D460-D463 PolarHBondContact O-N 3.47Å
461	S	56.9	Low	60.5	Low	56 Å²	56	111.8 Å²	111.8	39%	0.392	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.6	0.2	-168.4	-172.1	0	0	0	0	112.6	R459 D463 D464 R521	R459-S461 PolarHBondContact O-N 3.49Å; S461-D463 VanDerWaalsContact C-N 3.26Å; S461-D463 PolarHBondContact O-N 2.63Å; S461-D464 WeakPolarHBondContact CA-OD2 3.4Å; S461-D464 WeakPolarHBondContact CB-OD2 3.41Å; S461-D464 PolarHBondContact O-N 3.38Å; S461-D464 PolarHBondContact OG-OD2 3.13Å; S461-R521 PolarHBondContact O-NH1 2.78Å; S461-R521 PolarHBondContact O-NH2 3.25Å; S461-R521 PolarHBondContact OG-NH2 3.04Å; S461-R521 VanDerWaalsContact OG-NH2 3.14Å
462	S	52.5	Low	62.8	Low	16 Å²	16	107.7 Å²	107.7	11%	0.112	55%	0.552	C	S	.	*	T	Hydrogen-bonded Turn	trans	-46.6	-51.5	168.8	-169	0	0	0	0	111.3	D460 D464 W465 K514 R521 Y534	D460-S462 PolarHBondContact O-N 3.29Å; S462-D464 VanDerWaalsContact C-N 3.28Å; S462-D464 PolarHBondContact O-N 2.77Å; S462-W465 PolarHBondContact O-N 2.8Å; S462-K514 PolarHBondContact OG-NZ 3.17Å; S462-K514 VanDerWaalsContact OG-NZ 3.08Å; S462-R521 PolarHBondContact O-NH1 2.98Å; S462-Y534 PolarHBondContact O-OH 3.24Å; S462-Y534 PolarHBondContact OG-OH 3.47Å
463	D	56.9	Low	65.6	Low	92 Å²	92	103.3 Å²	103.3	49%	0.492	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-63	-29.2	-168.2	-63	3.5	0	0	0	113.5	D460 S461 W465 E466	D460-D463 PolarHBondContact O-N 3.47Å; S461-D463 VanDerWaalsContact C-N 3.26Å; S461-D463 PolarHBondContact O-N 2.63Å; D463-W465 PolarHBondContact O-N 3.03Å; D463-E466 PolarHBondContact O-N 3.43Å
464	D	70.7	Confident	68.3	Low	98 Å²	98	97.7 Å²	97.7	52%	0.524	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-65.4	-6.8	-173.5	-48.2	-54.2	0	0	0	114.1	S461 S462	S461-D464 WeakPolarHBondContact CA-OD2 3.4Å; S461-D464 WeakPolarHBondContact CB-OD2 3.41Å; S461-D464 PolarHBondContact O-N 3.38Å; S461-D464 PolarHBondContact OG-OD2 3.13Å; S462-D464 VanDerWaalsContact C-N 3.28Å; S462-D464 PolarHBondContact O-N 2.77Å
465	W	84.8	Confident	70.8	Confident	81 Å²	81	91.4 Å²	91.4	31%	0.307	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-133.2	11.3	-177.2	-61.9	67.5	0	0	0	113.1	S462 D463 R521 F531 Y534	S462-W465 PolarHBondContact O-N 2.8Å; D463-W465 PolarHBondContact O-N 3.03Å; W465-R521 VanDerWaalsContact CD1-NE 3.26Å; W465-R521 HydrophobicContact CD2-CG 4.22Å; W465-R521 HydrophobicContact CE3-CG 4.43Å; W465-R521 HydrophobicContact CG-CG 4.25Å; W465-F531 HydrophobicContact CE3-CD1 4.35Å; W465-F531 HydrophobicContact CE3-CE1 4.19Å; W465-Y534 HydrophobicContact CB-CD1 4.49Å; W465-Y534 HydrophobicContact CB-CE1 4.39Å; W465-Y534 WeakPolarHBondContact O-CD1 3.47Å; W465-Y534 PolarHBondContact O-N 3.27Å; W465-Y534 VanDerWaalsContact O-N 3.14Å
466	E	90.4	Very high	73.2	Confident	62 Å²	62	92 Å²	92	29%	0.29	49%	0.493	S	S	.	.	B	Isolated β-bridge	trans	-84.2	115.3	170.8	-161.5	158.6	148.6	0	0	108.7	D463 P468 Y534 T536	D463-E466 PolarHBondContact O-N 3.43Å; E466-P468 WeakPolarHBondContact O-CD 3.47Å; E466-Y534 CarbonylContact C-O 3.39Å; E466-Y534 WeakPolarHBondContact CA-O 3.3Å; E466-Y534 HydrophobicContact CB-CE1 4.03Å; E466-Y534 HydrophobicContact CB-CE2 3.91Å; E466-Y534 VanDerWaalsContact CD-CE2 3.48Å; E466-Y534 HydrophobicContact CG-CD2 4.12Å; E466-Y534 HydrophobicContact CG-CE2 3.51Å; E466-Y534 WeakPolarHBondContact OE2-CE2 3.3Å; E466-Y534 PolarHBondContact OE2-OH 2.89Å; E466-T536 HydrophobicContact CG-CG2 4.45Å; E466-T536 WeakPolarHBondContact OE1-CB 3.18Å; E466-T536 WeakPolarHBondContact OE1-CG2 3.5Å; E466-T536 PolarHBondContact OE1-OG1 2.97Å
467	I	91.8	Very high	75.7	Confident	7 Å²	7	91.7 Å²	91.7	4%	0.036	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-80.9	119.7	-178.3	-60.8	169.2	0	0	0	108.3	Q471 I472 W491 Y534 V543	I467-Q471 HydrophobicContact CG2-CB 3.99Å; I467-I472 HydrophobicContact CB-CD1 4.23Å; I467-I472 HydrophobicContact CD1-CD1 4.24Å; I467-I472 HydrophobicContact CG2-CD1 3.8Å; I467-I472 HydrophobicContact CG2-CG1 3.75Å; I467-W491 HydrophobicContact CD1-CD2 4.03Å; I467-W491 HydrophobicContact CD1-CE3 4.28Å; I467-W491 HydrophobicContact CD1-CH2 4.15Å; I467-W491 HydrophobicContact CD1-CZ2 3.9Å; I467-W491 HydrophobicContact CD1-CZ3 4.35Å; I467-W491 HydrophobicContact CG1-CH2 4.34Å; I467-W491 HydrophobicContact CG1-CZ2 3.8Å; I467-W491 HydrophobicContact CG2-CZ2 4.42Å; I467-Y534 PolarHBondContact N-O 3.29Å; I467-V543 HydrophobicContact CD1-CB 3.98Å; I467-V543 HydrophobicContact CD1-CG1 4.38Å; I467-V543 HydrophobicContact CD1-CG2 3.75Å
468	P	89.9	Confident	78.2	Confident	74 Å²	74	93.3 Å²	93.3	48%	0.481	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-59.9	147.7	178.4	-25.8	35.2	0	0	0	113.6	E466 Q471	E466-P468 WeakPolarHBondContact O-CD 3.47Å; P468-Q471 HydrophobicContact CB-CG 4.31Å; P468-Q471 WeakPolarHBondContact O-CB 3.39Å; P468-Q471 PolarHBondContact O-N 2.84Å
469	E	85.4	Confident	79.9	Confident	119 Å²	119	84 Å²	84	56%	0.556	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	143	172.9	-173.2	163.1	-150.6	0	0	111.5	Q471 K537	E469-Q471 VanDerWaalsContact C-N 3.3Å; E469-Q471 PolarHBondContact O-N 3.19Å; E469-K537 HydrophobicContact CB-CB 4.37Å
470	G	86.3	Confident	81.6	Confident	75 Å²	75	77.7 Å²	77.7	77%	0.773	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-13.3	-176.3	0	0	0	0	0	116
471	Q	91.9	Very high	82.7	Confident	96 Å²	96	74.4 Å²	74.4	45%	0.449	43%	0.429	S	S	.	.	S	Bend	trans	-77.3	-26.8	175.7	-65.6	-166.5	0.3	0	0	114.1	I467 P468 E469 W491	I467-Q471 HydrophobicContact CG2-CB 3.99Å; P468-Q471 HydrophobicContact CB-CG 4.31Å; P468-Q471 WeakPolarHBondContact O-CB 3.39Å; P468-Q471 PolarHBondContact O-N 2.84Å; E469-Q471 VanDerWaalsContact C-N 3.3Å; E469-Q471 PolarHBondContact O-N 3.19Å; Q471-W491 VanDerWaalsContact OE1-NE1 3.08Å
472	I	93.7	Very high	83	Confident	32 Å²	32	75.4 Å²	75.4	16%	0.164	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-97.2	116.7	-177.7	-57	167	0	0	0	108.6	I467 L474 W491 V497 T535 V543	I467-I472 HydrophobicContact CB-CD1 4.23Å; I467-I472 HydrophobicContact CD1-CD1 4.24Å; I467-I472 HydrophobicContact CG2-CD1 3.8Å; I467-I472 HydrophobicContact CG2-CG1 3.75Å; I472-L474 HydrophobicContact CG2-CD2 4.39Å; I472-W491 HydrophobicContact CG1-CB 4.27Å; I472-W491 HydrophobicContact CG1-CG 4.25Å; I472-V497 HydrophobicContact CG2-CG2 3.83Å; I472-T535 HydrophobicContact CD1-CG2 4.23Å; I472-V543 HydrophobicContact CD1-CG2 3.73Å
473	T	94.6	Very high	83.6	Confident	95 Å²	95	75.6 Å²	75.6	58%	0.583	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	116.2	167.3	-51.7	0	0	0	0	109.1	G489 K490	T473-G489 CarbonylContact O-C 3.54Å; T473-G489 WeakPolarHBondContact O-CA 3.43Å; T473-K490 PolarHBondContact N-O 2.81Å; T473-K490 PolarHBondContact O-N 3.31Å
474	L	93.3	Very high	84.6	Confident	81 Å²	81	71.3 Å²	71.3	42%	0.424	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	140.9	172.7	-65.7	172.2	0	0	0	110.6	I472 F487 V497 M499	I472-L474 HydrophobicContact CG2-CD2 4.39Å; L474-F487 HydrophobicContact CD2-CB 4.32Å; L474-V497 HydrophobicContact CD2-CB 4.01Å; L474-V497 HydrophobicContact CD2-CG1 3.87Å; L474-V497 HydrophobicContact CD2-CG2 4.22Å; L474-M499 HydrophobicContact CD1-CE 3.76Å; L474-M499 HydrophobicContact CD1-SD 3.78Å; L474-M499 HydrophobicContact CD2-CE 4.38Å; L474-M499 HydrophobicContact CD2-SD 4.17Å
475	G	93	Very high	85.3	Confident	46 Å²	46	67.6 Å²	67.6	47%	0.474	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	-138.6	175.2	0	0	0	0	0	111.7	R477 K488	G475-R477 PolarHBondContact O-N 3.44Å; G475-K488 CarbonylContact C-O 3.56Å; G475-K488 WeakPolarHBondContact CA-O 3.49Å; G475-K488 PolarHBondContact N-O 3.07Å
476	Q	93.4	Very high	85.5	Confident	151 Å²	151	65.7 Å²	65.7	71%	0.706	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.9	133.3	-174	-172.7	177.1	2.3	0	0	112.7	I478 F487 K488	Q476-I478 HydrophobicContact CB-CD1 4.44Å; Q476-I478 HydrophobicContact CG-CD1 4.41Å; Q476-I478 PolarHBondContact O-N 2.92Å; Q476-F487 CarbonylContact O-C 3.6Å; Q476-F487 VanDerWaalsContact O-CA 3.31Å; Q476-F487 WeakPolarHBondContact O-CA 3.26Å; Q476-K488 PolarHBondContact O-N 3.2Å
477	R	94.1	Very high	85.6	Confident	155 Å²	155	64.7 Å²	64.7	59%	0.585	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	122.6	166	176.9	176.6	168	-175.3	-4.6	109.5	G475 T485 F487	G475-R477 PolarHBondContact O-N 3.44Å; R477-T485 HydrophobicContact CG-CG2 3.79Å; R477-F487 HydrophobicContact CB-CD1 3.81Å; R477-F487 HydrophobicContact CB-CE1 3.74Å; R477-F487 HydrophobicContact CG-CE1 4.24Å
478	I	88.9	Confident	85.7	Confident	87 Å²	87	66.5 Å²	66.5	45%	0.446	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-37.6	-177.5	-53.9	-56.9	0	0	0	111.2	Q476 V486 K488 W546	Q476-I478 HydrophobicContact CB-CD1 4.44Å; Q476-I478 HydrophobicContact CG-CD1 4.41Å; Q476-I478 PolarHBondContact O-N 2.92Å; I478-V486 PolarHBondContact N-O 3.11Å; I478-K488 HydrophobicContact CD1-CB 4.06Å; I478-K488 HydrophobicContact CG1-CB 4.23Å; I478-W546 HydrophobicContact CD1-CH2 3.82Å; I478-W546 HydrophobicContact CD1-CZ3 4.37Å; I478-W546 HydrophobicContact CG1-CH2 3.81Å; I478-W546 HydrophobicContact CG1-CZ3 3.94Å
479	G	81.6	Confident	86	Confident	32 Å²	32	63.1 Å²	63.1	33%	0.33	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	171.6	179.7	0	0	0	0	0	112.5	T485 V486	G479-T485 WeakPolarHBondContact O-CG2 3.31Å; G479-V486 PolarHBondContact N-O 3.38Å; G479-V486 PolarHBondContact O-N 2.94Å
480	S	78.8	Confident	86.5	Confident	65 Å²	65	63.5 Å²	63.5	46%	0.455	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	147.4	170.6	-166.4	0	0	0	0	109.5	T485	S480-T485 WeakPolarHBondContact CB-OG1 3.36Å; S480-T485 PolarHBondContact OG-OG1 3.36Å
481	G	68.2	Low	86.9	Confident	42 Å²	42	62.5 Å²	62.5	43%	0.433	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	-176	178.8	0	0	0	0	0	111.2	F483 G484 N501	G481-F483 PolarHBondContact O-N 3.1Å; G481-G484 PolarHBondContact N-O 2.86Å; G481-G484 PolarHBondContact O-N 3.11Å; G481-G484 VanDerWaalsContact O-N 3.12Å; G481-N501 PolarHBondContact O-ND2 2.94Å
482	S	62.1	Low	87	Confident	77 Å²	77	66.2 Å²	66.2	54%	0.538	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	1.8	-170.5	64.9	0	0	0	0	116.7	K616	S482-K616 VanDerWaalsContact OG-CE 3.22Å; S482-K616 WeakPolarHBondContact OG-CE 3.4Å; S482-K616 PolarHBondContact OG-NZ 2.92Å
483	F	65.1	Low	87	Confident	20 Å²	20	66.7 Å²	66.7	9%	0.088	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-21.2	-177.8	-67.4	-78.4	0	0	0	113.3	G481 L500 N501 L612 V615 K616	G481-F483 PolarHBondContact O-N 3.1Å; F483-L500 WeakPolarHBondContact O-CA 3.39Å; F483-L500 WeakPolarHBondContact O-CD2 3.42Å; F483-N501 PolarHBondContact O-N 3.39Å; F483-L612 WeakPolarHBondContact CE1-O 3.39Å; F483-V615 HydrophobicContact CD1-CG1 4.03Å; F483-V615 HydrophobicContact CE1-CG1 4.2Å; F483-K616 HydrophobicContact CD1-CG 4.44Å; F483-K616 HydrophobicContact CE1-CB 3.57Å; F483-K616 HydrophobicContact CE1-CD 3.93Å; F483-K616 HydrophobicContact CE1-CG 3.6Å; F483-K616 HydrophobicContact CE2-CD 4.33Å; F483-K616 HydrophobicContact CZ-CB 3.95Å; F483-K616 HydrophobicContact CZ-CD 3.59Å; F483-K616 HydrophobicContact CZ-CG 3.84Å
484	G	77.6	Confident	87	Confident	3 Å²	3	64.8 Å²	64.8	3%	0.031	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163	169.5	-160.7	0	0	0	0	0	113.7	G481 M499 N501	G481-G484 PolarHBondContact N-O 2.86Å; G481-G484 PolarHBondContact O-N 3.11Å; G481-G484 VanDerWaalsContact O-N 3.12Å; G484-M499 CarbonylContact C-O 3.58Å; G484-M499 WeakPolarHBondContact CA-O 3.38Å; G484-N501 VanDerWaalsContact CA-OD1 3.27Å; G484-N501 WeakPolarHBondContact CA-OD1 3.33Å; G484-N501 PolarHBondContact N-ND2 3.23Å
485	T	86.1	Confident	87.1	Confident	20 Å²	20	61 Å²	61	12%	0.123	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130	174.2	-57.8	0	0	0	0	109.5	R477 G479 S480 F487 M499	R477-T485 HydrophobicContact CG-CG2 3.79Å; G479-T485 WeakPolarHBondContact O-CG2 3.31Å; S480-T485 WeakPolarHBondContact CB-OG1 3.36Å; S480-T485 PolarHBondContact OG-OG1 3.36Å; T485-F487 HydrophobicContact CG2-CD2 4.27Å; T485-F487 HydrophobicContact CG2-CE1 4.49Å; T485-F487 HydrophobicContact CG2-CE2 3.52Å; T485-F487 HydrophobicContact CG2-CZ 3.65Å; T485-M499 PolarHBondContact N-O 3.04Å; T485-M499 PolarHBondContact O-N 2.88Å
486	V	89.3	Confident	87.1	Confident	40 Å²	40	59.5 Å²	59.5	24%	0.242	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	131.1	-177.6	-177	0	0	0	0	109.8	I478 G479 V497 K498	I478-V486 PolarHBondContact N-O 3.11Å; G479-V486 PolarHBondContact N-O 3.38Å; G479-V486 PolarHBondContact O-N 2.94Å; V486-V497 WeakPolarHBondContact CA-O 3.35Å; V486-K498 HydrophobicContact CG2-CB 4.12Å; V486-K498 HydrophobicContact CG2-CD 4.12Å; V486-K498 HydrophobicContact CG2-CG 3.91Å
487	F	92.5	Very high	87.1	Confident	42 Å²	42	52.3 Å²	52.3	18%	0.184	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	144.7	175.9	-58.2	-102	0	0	0	109.6	L474 Q476 R477 T485 V497 M499	L474-F487 HydrophobicContact CD2-CB 4.32Å; Q476-F487 CarbonylContact O-C 3.6Å; Q476-F487 VanDerWaalsContact O-CA 3.31Å; Q476-F487 WeakPolarHBondContact O-CA 3.26Å; R477-F487 HydrophobicContact CB-CD1 3.81Å; R477-F487 HydrophobicContact CB-CE1 3.74Å; R477-F487 HydrophobicContact CG-CE1 4.24Å; T485-F487 HydrophobicContact CG2-CD2 4.27Å; T485-F487 HydrophobicContact CG2-CE1 4.49Å; T485-F487 HydrophobicContact CG2-CE2 3.52Å; T485-F487 HydrophobicContact CG2-CZ 3.65Å; F487-V497 PolarHBondContact N-O 3Å; F487-V497 PolarHBondContact O-N 3.13Å; F487-M499 HydrophobicContact CD2-CG 3.88Å; F487-M499 HydrophobicContact CD2-SD 3.96Å; F487-M499 HydrophobicContact CE2-CB 4.25Å; F487-M499 HydrophobicContact CE2-CG 3.89Å; F487-M499 HydrophobicContact CE2-SD 3.71Å; F487-M499 HydrophobicContact CZ-SD 4.44Å
488	K	94.8	Very high	86.9	Confident	44 Å²	44	45.9 Å²	45.9	19%	0.191	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	133.7	158.6	-170.8	167.9	-170.5	176.7	0	106.9	G475 Q476 I478 D494 W546 E548	G475-K488 CarbonylContact C-O 3.56Å; G475-K488 WeakPolarHBondContact CA-O 3.49Å; G475-K488 PolarHBondContact N-O 3.07Å; Q476-K488 PolarHBondContact O-N 3.2Å; I478-K488 HydrophobicContact CD1-CB 4.06Å; I478-K488 HydrophobicContact CG1-CB 4.23Å; K488-D494 VanDerWaalsContact CE-CG 3.49Å; K488-D494 WeakPolarHBondContact CE-OD2 3.4Å; K488-D494 IonicContact NZ-OD2 2.8Å; K488-D494 PolarHBondContact NZ-OD2 2.81Å; K488-W546 HydrophobicContact CB-CE3 4Å; K488-W546 HydrophobicContact CB-CH2 3.92Å; K488-W546 HydrophobicContact CB-CZ3 3.6Å; K488-W546 HydrophobicContact CD-CD2 3.82Å; K488-W546 HydrophobicContact CD-CE3 4.06Å; K488-W546 HydrophobicContact CD-CG 4.48Å; K488-W546 HydrophobicContact CD-CH2 3.94Å; K488-W546 HydrophobicContact CD-CZ2 3.66Å; K488-W546 HydrophobicContact CD-CZ3 4.12Å; K488-W546 HydrophobicContact CG-CD2 3.93Å; K488-W546 HydrophobicContact CG-CE3 3.71Å; K488-W546 HydrophobicContact CG-CH2 4.12Å; K488-W546 HydrophobicContact CG-CZ2 4.29Å; K488-W546 HydrophobicContact CG-CZ3 3.81Å; K488-W546 VanDerWaalsContact NZ-NE1 3.18Å; K488-E548 IonicContact NZ-OE1 3.27Å; K488-E548 PolarHBondContact NZ-OE1 3.37Å; K488-E548 IonicContact NZ-OE2 2.81Å; K488-E548 PolarHBondContact NZ-OE2 3Å
489	G	94.9	Very high	86.8	Confident	3 Å²	3	42.4 Å²	42.4	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	179.3	178.5	0	0	0	0	0	111.6	T473 V495	T473-G489 CarbonylContact O-C 3.54Å; T473-G489 WeakPolarHBondContact O-CA 3.43Å; G489-V495 PolarHBondContact N-O 2.75Å; G489-V495 WeakPolarHBondContact O-CG2 3.45Å; G489-V495 PolarHBondContact O-N 2.92Å
490	K	95.7	Very high	86.9	Confident	128 Å²	128	41 Å²	41	56%	0.557	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.2	127.5	174.6	-62.6	-163.2	177.3	-153.4	0	111.7	T473 G493 D494	T473-K490 PolarHBondContact N-O 2.81Å; T473-K490 PolarHBondContact O-N 3.31Å; K490-G493 CarbonylContact C-O 3.56Å; K490-G493 VanDerWaalsContact CA-O 3.27Å; K490-G493 WeakPolarHBondContact CA-O 3.45Å; K490-D494 WeakPolarHBondContact CE-OD1 3.49Å; K490-D494 IonicContact NZ-OD1 2.77Å; K490-D494 PolarHBondContact NZ-OD1 2.69Å
491	W	94.5	Very high	86.6	Confident	53 Å²	53	42.4 Å²	42.4	20%	0.201	24%	0.236	C	C	.	.	S	Bend	trans	-158.7	106.6	172.5	-177.9	77.6	0	0	0	108.2	I467 Q471 I472 G493 V495 M532	I467-W491 HydrophobicContact CD1-CD2 4.03Å; I467-W491 HydrophobicContact CD1-CE3 4.28Å; I467-W491 HydrophobicContact CD1-CH2 4.15Å; I467-W491 HydrophobicContact CD1-CZ2 3.9Å; I467-W491 HydrophobicContact CD1-CZ3 4.35Å; I467-W491 HydrophobicContact CG1-CH2 4.34Å; I467-W491 HydrophobicContact CG1-CZ2 3.8Å; I467-W491 HydrophobicContact CG2-CZ2 4.42Å; Q471-W491 VanDerWaalsContact OE1-NE1 3.08Å; I472-W491 HydrophobicContact CG1-CB 4.27Å; I472-W491 HydrophobicContact CG1-CG 4.25Å; W491-G493 PolarHBondContact N-O 3.01Å; W491-G493 PolarHBondContact O-N 3.37Å; W491-V495 HydrophobicContact CB-CG1 4.26Å; W491-V495 HydrophobicContact CB-CG2 4.07Å; W491-V495 WeakPolarHBondContact O-CG1 3.35Å; W491-M532 HydrophobicContact CE3-CB 4.49Å; W491-M532 HydrophobicContact CZ3-CB 4Å
492	H	94.2	Very high	86.7	Confident	175 Å²	175	41.3 Å²	41.3	81%	0.81	22%	0.221	S	C	*	.	S	Bend	trans	52.3	19.1	-170.8	-60.5	-63.4	0	0	0	116.1
493	G	94.3	Very high	86.9	Confident	41 Å²	41	44.1 Å²	44.1	42%	0.423	24%	0.235	S	C	.	.	S	Bend	trans	148.3	-174.4	-170.4	0	0	0	0	0	109.3	K490 W491	K490-G493 CarbonylContact C-O 3.56Å; K490-G493 VanDerWaalsContact CA-O 3.27Å; K490-G493 WeakPolarHBondContact CA-O 3.45Å; W491-G493 PolarHBondContact N-O 3.01Å; W491-G493 PolarHBondContact O-N 3.37Å
494	D	95.4	Very high	87.3	Confident	56 Å²	56	47.2 Å²	47.2	30%	0.299	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	132.5	172.3	-78.1	8.5	0	0	0	110	K488 K490 W546	K488-D494 VanDerWaalsContact CE-CG 3.49Å; K488-D494 WeakPolarHBondContact CE-OD2 3.4Å; K488-D494 IonicContact NZ-OD2 2.8Å; K488-D494 PolarHBondContact NZ-OD2 2.81Å; K490-D494 WeakPolarHBondContact CE-OD1 3.49Å; K490-D494 IonicContact NZ-OD1 2.77Å; K490-D494 PolarHBondContact NZ-OD1 2.69Å; D494-W546 HydrophobicContact CB-CB 4.22Å; D494-W546 HydrophobicContact CB-CG 4.39Å; D494-W546 VanDerWaalsContact O-CB 3.27Å; D494-W546 WeakPolarHBondContact O-CB 3.46Å
495	V	95.4	Very high	87.2	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	154.9	-173.6	-61.9	0	0	0	0	112	G489 W491 V497 M532 V543	G489-V495 PolarHBondContact N-O 2.75Å; G489-V495 WeakPolarHBondContact O-CG2 3.45Å; G489-V495 PolarHBondContact O-N 2.92Å; W491-V495 HydrophobicContact CB-CG1 4.26Å; W491-V495 HydrophobicContact CB-CG2 4.07Å; W491-V495 WeakPolarHBondContact O-CG1 3.35Å; V495-V497 HydrophobicContact CG2-CG2 3.89Å; V495-M532 HydrophobicContact CB-SD 4.43Å; V495-M532 HydrophobicContact CG1-CE 4.44Å; V495-M532 HydrophobicContact CG1-SD 3.56Å; V495-M532 VanDerWaalsContact CG1-SD 3.56Å; V495-V543 HydrophobicContact CB-CG1 3.82Å; V495-V543 HydrophobicContact CG1-CG1 4.17Å; V495-V543 HydrophobicContact CG2-CG1 3.96Å
496	A	93.3	Very high	86.9	Confident	14 Å²	14	51 Å²	51	12%	0.116	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	122.8	168.1	0	0	0	0	0	109.4	V543 T544 W546	A496-V543 WeakPolarHBondContact O-CA 3.46Å; A496-T544 PolarHBondContact N-O 2.73Å; A496-T544 PolarHBondContact O-N 2.77Å; A496-W546 HydrophobicContact CB-CE3 4.05Å
497	V	92.2	Very high	86.5	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	105.6	-179.3	-171.2	0	0	0	0	108.9	I472 L474 V486 F487 V495 M499 A541 V543	I472-V497 HydrophobicContact CG2-CG2 3.83Å; L474-V497 HydrophobicContact CD2-CB 4.01Å; L474-V497 HydrophobicContact CD2-CG1 3.87Å; L474-V497 HydrophobicContact CD2-CG2 4.22Å; V486-V497 WeakPolarHBondContact CA-O 3.35Å; F487-V497 PolarHBondContact N-O 3Å; F487-V497 PolarHBondContact O-N 3.13Å; V495-V497 HydrophobicContact CG2-CG2 3.89Å; V497-M499 HydrophobicContact CG1-CG 4.09Å; V497-M499 PolarHBondContact O-N 2.71Å; V497-A541 HydrophobicContact CG1-CB 4.03Å; V497-V543 HydrophobicContact CG1-CG2 4.5Å
498	K	89.6	Confident	85.5	Confident	20 Å²	20	58.9 Å²	58.9	9%	0.087	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	94	177.9	-175.5	164.9	177.5	177.8	0	109.1	V486 L500 A541 I542 D609 L612	V486-K498 HydrophobicContact CG2-CB 4.12Å; V486-K498 HydrophobicContact CG2-CD 4.12Å; V486-K498 HydrophobicContact CG2-CG 3.91Å; K498-L500 HydrophobicContact CG-CD2 4.48Å; K498-A541 VanDerWaalsContact O-CA 3.28Å; K498-A541 WeakPolarHBondContact O-CA 3.45Å; K498-I542 PolarHBondContact N-O 2.56Å; K498-I542 PolarHBondContact O-N 3.39Å; K498-D609 IonicContact NZ-OD1 2.69Å; K498-D609 PolarHBondContact NZ-OD1 3.23Å; K498-D609 IonicContact NZ-OD2 2.78Å; K498-D609 PolarHBondContact NZ-OD2 3.48Å; K498-L612 HydrophobicContact CD-CD1 4.31Å
499	M	88.2	Confident	84.5	Confident	14 Å²	14	58.2 Å²	58.2	7%	0.069	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	127.1	176.3	-51.4	-166.4	102.2	0	0	108.9	L474 G484 T485 F487 V497 Q539 A541	L474-M499 HydrophobicContact CD1-CE 3.76Å; L474-M499 HydrophobicContact CD1-SD 3.78Å; L474-M499 HydrophobicContact CD2-CE 4.38Å; L474-M499 HydrophobicContact CD2-SD 4.17Å; G484-M499 CarbonylContact C-O 3.58Å; G484-M499 WeakPolarHBondContact CA-O 3.38Å; T485-M499 PolarHBondContact N-O 3.04Å; T485-M499 PolarHBondContact O-N 2.88Å; F487-M499 HydrophobicContact CD2-CG 3.88Å; F487-M499 HydrophobicContact CD2-SD 3.96Å; F487-M499 HydrophobicContact CE2-CB 4.25Å; F487-M499 HydrophobicContact CE2-CG 3.89Å; F487-M499 HydrophobicContact CE2-SD 3.71Å; F487-M499 HydrophobicContact CZ-SD 4.44Å; V497-M499 HydrophobicContact CG1-CG 4.09Å; V497-M499 PolarHBondContact O-N 2.71Å; M499-Q539 HydrophobicContact CE-CG 3.77Å; M499-Q539 PolarHBondContact SD-NE2 3.46Å; M499-A541 HydrophobicContact CB-CB 4.29Å; M499-A541 HydrophobicContact CG-CB 4.01Å
500	L	82.2	Confident	83.8	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.016	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	143.1	-173.7	-57.3	174.5	0	0	0	109.9	F483 K498 V502 F513 L540 W619	F483-L500 WeakPolarHBondContact O-CA 3.39Å; F483-L500 WeakPolarHBondContact O-CD2 3.42Å; K498-L500 HydrophobicContact CG-CD2 4.48Å; L500-V502 PolarHBondContact O-N 3.4Å; L500-F513 HydrophobicContact CD1-CD2 3.55Å; L500-F513 HydrophobicContact CD1-CE2 3.37Å; L500-F513 HydrophobicContact CD1-CZ 4.4Å; L500-L540 HydrophobicContact CB-CB 4.31Å; L500-L540 HydrophobicContact CD1-CB 3.92Å; L500-L540 HydrophobicContact CG-CB 4.46Å; L500-L540 PolarHBondContact N-O 3.02Å; L500-W619 HydrophobicContact CB-CH2 3.96Å; L500-W619 HydrophobicContact CB-CZ3 4.32Å; L500-W619 HydrophobicContact CD1-CH2 3.48Å; L500-W619 VanDerWaalsContact CD1-CH2 3.48Å; L500-W619 HydrophobicContact CD1-CZ2 3.95Å; L500-W619 HydrophobicContact CD2-CH2 3.87Å; L500-W619 HydrophobicContact CD2-CZ3 4.38Å; L500-W619 HydrophobicContact CG-CH2 3.94Å
501	N	73	Confident	83	Confident	94 Å²	94	59.6 Å²	59.6	50%	0.503	34%	0.338	S	S	.	.	S	Bend	trans	-78	51.5	-175.9	-66.3	-13.8	0	0	0	111.8	G481 F483 G484	G481-N501 PolarHBondContact O-ND2 2.94Å; F483-N501 PolarHBondContact O-N 3.39Å; G484-N501 VanDerWaalsContact CA-OD1 3.27Å; G484-N501 WeakPolarHBondContact CA-OD1 3.33Å; G484-N501 PolarHBondContact N-ND2 3.23Å
502	V	70.5	Confident	81.9	Confident	19 Å²	19	57.4 Å²	57.4	12%	0.115	33%	0.331	C	S	.	.			trans	-139	94.3	-175.7	-173.8	0	0	0	0	109.9	L500 A504 P505 W619	L500-V502 PolarHBondContact O-N 3.4Å; V502-A504 VanDerWaalsContact C-N 3.33Å; V502-A504 PolarHBondContact O-N 2.71Å; V502-P505 HydrophobicContact CG1-CB 3.86Å; V502-W619 HydrophobicContact CG2-CD2 4.24Å; V502-W619 HydrophobicContact CG2-CE3 3.93Å; V502-W619 HydrophobicContact CG2-CZ3 4.14Å
503	T	66.4	Low	81.2	Confident	136 Å²	136	49.1 Å²	49.1	83%	0.834	29%	0.293	S	S	*	.	S	Bend	trans	-67.7	-29.9	-176.4	-34.3	0	0	0	0	113.4
504	A	74	Confident	80.5	Confident	85 Å²	85	50 Å²	50	70%	0.702	29%	0.285	S	S	*	.	S	Bend	trans	-142.1	88.7	179.6	0	0	0	0	0	109.7	V502	V502-A504 VanDerWaalsContact C-N 3.33Å; V502-A504 PolarHBondContact O-N 2.71Å
505	P	75.4	Confident	79.5	Confident	47 Å²	47	51.4 Å²	51.4	31%	0.305	29%	0.292	S	S	.	.			trans	-71.7	135.7	-175.9	28.9	-35.7	0	0	0	111.8	V502 Q509 L540	V502-P505 HydrophobicContact CG1-CB 3.86Å; P505-Q509 HydrophobicContact CB-CB 4.37Å; P505-L540 HydrophobicContact CB-CD1 3.62Å; P505-L540 HydrophobicContact CG-CD1 3.68Å; P505-L540 HydrophobicContact CG-CG 4.09Å
506	T	79.4	Confident	78.6	Confident	56 Å²	56	51.9 Å²	51.9	34%	0.344	30%	0.295	S	S	.	.			trans	-66.7	159	171.8	83.4	0	0	0	0	110.9	Q508 Q509 L510	T506-Q508 VanDerWaalsContact CB-OE1 3.3Å; T506-Q508 PolarHBondContact O-N 2.92Å; T506-Q508 PolarHBondContact OG1-N 3.16Å; T506-Q508 PolarHBondContact OG1-OE1 2.94Å; T506-Q509 HydrophobicContact CG2-CG 4.39Å; T506-Q509 PolarHBondContact O-N 2.79Å; T506-Q509 WeakPolarHBondContact OG1-CG 3.5Å; T506-Q509 PolarHBondContact OG1-N 3.3Å; T506-L510 WeakPolarHBondContact O-CB 3.31Å; T506-L510 PolarHBondContact O-N 3.02Å
507	P	80.4	Confident	78.2	Confident	105 Å²	105	51.4 Å²	51.4	68%	0.682	29%	0.29	S	S	*	.	H	α-helix	trans	-55.3	-33.9	174.8	-27.4	36.4	0	0	0	113.6	Q511	P507-Q511 WeakPolarHBondContact O-CB 3.44Å; P507-Q511 PolarHBondContact O-N 2.97Å
508	Q	72.5	Confident	77.6	Confident	141 Å²	141	52.4 Å²	52.4	66%	0.659	30%	0.301	S	S	*	.	H	α-helix	trans	-70.2	-42.4	175.1	-53.1	87.2	-11.2	0	0	112	T506 Q511 A512	T506-Q508 VanDerWaalsContact CB-OE1 3.3Å; T506-Q508 PolarHBondContact O-N 2.92Å; T506-Q508 PolarHBondContact OG1-N 3.16Å; T506-Q508 PolarHBondContact OG1-OE1 2.94Å; Q508-Q511 PolarHBondContact O-N 2.86Å; Q508-A512 WeakPolarHBondContact O-CB 3.44Å; Q508-A512 PolarHBondContact O-N 3.26Å
509	Q	73.2	Confident	77.1	Confident	30 Å²	30	53.9 Å²	53.9	14%	0.14	31%	0.311	C	S	.	.	H	α-helix	trans	-64.3	-42.2	176.1	-67.4	174.8	-24.6	0	0	111.2	P505 T506 A512 F513 W619	P505-Q509 HydrophobicContact CB-CB 4.37Å; T506-Q509 HydrophobicContact CG2-CG 4.39Å; T506-Q509 PolarHBondContact O-N 2.79Å; T506-Q509 WeakPolarHBondContact OG1-CG 3.5Å; T506-Q509 PolarHBondContact OG1-N 3.3Å; Q509-A512 PolarHBondContact O-N 3.03Å; Q509-F513 WeakPolarHBondContact O-CB 3.38Å; Q509-F513 PolarHBondContact O-N 2.91Å; Q509-W619 HydrophobicContact CG-CG 4.4Å; Q509-W619 PolarHBondContact NE2-O 3.14Å; Q509-W619 VanDerWaalsContact NE2-O 3.17Å
510	L	79.2	Confident	76.9	Confident	57 Å²	57	53.7 Å²	53.7	30%	0.298	31%	0.311	S	S	.	.	H	α-helix	trans	-65.1	-41.2	176.3	-177.3	62.8	0	0	0	112	T506 F513 K514 L540	T506-L510 WeakPolarHBondContact O-CB 3.31Å; T506-L510 PolarHBondContact O-N 3.02Å; L510-F513 HydrophobicContact CD1-CD1 4.48Å; L510-F513 WeakPolarHBondContact O-CB 3.24Å; L510-F513 PolarHBondContact O-N 2.84Å; L510-K514 PolarHBondContact O-N 3.12Å; L510-L540 HydrophobicContact CD1-CD2 3.8Å
511	Q	79.1	Confident	76.9	Confident	104 Å²	104	56 Å²	56	49%	0.486	32%	0.319	S	S	.	.	H	α-helix	trans	-68.1	-38	174.7	-172.6	60.3	51.7	0	0	111.9	P507 Q508 F513 K514 N515	P507-Q511 WeakPolarHBondContact O-CB 3.44Å; P507-Q511 PolarHBondContact O-N 2.97Å; Q508-Q511 PolarHBondContact O-N 2.86Å; Q511-F513 VanDerWaalsContact C-N 3.35Å; Q511-K514 PolarHBondContact O-N 3.12Å; Q511-N515 PolarHBondContact NE2-OD1 3.38Å; Q511-N515 WeakPolarHBondContact O-CB 3.38Å; Q511-N515 PolarHBondContact O-N 2.97Å; Q511-N515 PolarHBondContact O-ND2 2.79Å; Q511-N515 PolarHBondContact O-OD1 2.76Å
512	A	71.9	Confident	77.3	Confident	6 Å²	6	58.2 Å²	58.2	5%	0.05	32%	0.324	C	S	.	.	H	α-helix	trans	-61.3	-44.2	173.5	0	0	0	0	0	111.4	Q508 Q509 N515 E516	Q508-A512 WeakPolarHBondContact O-CB 3.44Å; Q508-A512 PolarHBondContact O-N 3.26Å; Q509-A512 PolarHBondContact O-N 3.03Å; A512-N515 WeakPolarHBondContact O-CB 3.31Å; A512-N515 PolarHBondContact O-N 3.18Å; A512-E516 PolarHBondContact O-N 3.35Å
513	F	79.4	Confident	78.2	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.009	32%	0.32	C	S	.	.	H	α-helix	trans	-59.9	-48.1	173.7	174.3	-99.5	0	0	0	112.5	L500 Q509 L510 Q511 N515 E516 V517 Y534 L540 I542	L500-F513 HydrophobicContact CD1-CD2 3.55Å; L500-F513 HydrophobicContact CD1-CE2 3.37Å; L500-F513 HydrophobicContact CD1-CZ 4.4Å; Q509-F513 WeakPolarHBondContact O-CB 3.38Å; Q509-F513 PolarHBondContact O-N 2.91Å; L510-F513 HydrophobicContact CD1-CD1 4.48Å; L510-F513 WeakPolarHBondContact O-CB 3.24Å; L510-F513 PolarHBondContact O-N 2.84Å; Q511-F513 VanDerWaalsContact C-N 3.35Å; F513-N515 VanDerWaalsContact C-N 3.29Å; F513-N515 PolarHBondContact O-N 2.93Å; F513-E516 PolarHBondContact O-N 2.99Å; F513-V517 HydrophobicContact CD1-CG2 4.37Å; F513-V517 HydrophobicContact CE1-CG2 4.02Å; F513-V517 HydrophobicContact CE2-CG2 4.25Å; F513-V517 HydrophobicContact CZ-CG2 3.98Å; F513-V517 WeakPolarHBondContact O-CG2 3.32Å; F513-V517 PolarHBondContact O-N 3.43Å; F513-Y534 AromaticContact CE1-CD2 3.61Å; F513-Y534 HydrophobicContact CE1-CD2 3.61Å; F513-Y534 HydrophobicContact CE1-CE2 4.24Å; F513-Y534 HydrophobicContact CE1-CG 4.17Å; F513-Y534 HydrophobicContact CZ-CD2 4.1Å; F513-Y534 HydrophobicContact CZ-CG 4.33Å; F513-L540 HydrophobicContact CD1-CD2 3.84Å; F513-L540 HydrophobicContact CE1-CD2 3.69Å; F513-L540 HydrophobicContact CG-CD1 4.47Å; F513-L540 HydrophobicContact CG-CD2 4.42Å; F513-L540 HydrophobicContact CZ-CD2 4.15Å; F513-I542 HydrophobicContact CE2-CD1 3.99Å; F513-I542 HydrophobicContact CE2-CG1 3.68Å; F513-I542 HydrophobicContact CZ-CG1 4.17Å
514	K	79.7	Confident	79.4	Confident	60 Å²	60	59.4 Å²	59.4	26%	0.261	31%	0.312	S	S	.	.	H	α-helix	trans	-60.4	-37.1	175.1	-75.7	-165.5	171.4	-148.6	0	112.6	S462 L510 Q511 G518	S462-K514 PolarHBondContact OG-NZ 3.17Å; S462-K514 VanDerWaalsContact OG-NZ 3.08Å; L510-K514 PolarHBondContact O-N 3.12Å; Q511-K514 PolarHBondContact O-N 3.12Å; K514-G518 PolarHBondContact O-N 3.08Å
515	N	75.3	Confident	80.4	Confident	85 Å²	85	58.1 Å²	58.1	46%	0.455	29%	0.291	S	S	.	.	H	α-helix	trans	-64.3	-42	175.5	-67.4	-17.8	0	0	0	111.9	Q511 A512 F513 G518 V519	Q511-N515 PolarHBondContact NE2-OD1 3.38Å; Q511-N515 WeakPolarHBondContact O-CB 3.38Å; Q511-N515 PolarHBondContact O-N 2.97Å; Q511-N515 PolarHBondContact O-ND2 2.79Å; Q511-N515 PolarHBondContact O-OD1 2.76Å; A512-N515 WeakPolarHBondContact O-CB 3.31Å; A512-N515 PolarHBondContact O-N 3.18Å; F513-N515 VanDerWaalsContact C-N 3.29Å; F513-N515 PolarHBondContact O-N 2.93Å; N515-G518 CarbonylContact O-C 3.54Å; N515-G518 WeakPolarHBondContact O-CA 3.44Å; N515-G518 PolarHBondContact O-N 3.05Å; N515-V519 PolarHBondContact O-N 2.95Å
516	E	76.1	Confident	81.4	Confident	11 Å²	11	59.4 Å²	59.4	5%	0.051	30%	0.298	C	S	.	.	H	α-helix	trans	-70.9	-42.4	177.3	-73.8	-176.3	-174.9	0	0	112.7	A512 F513 G518 V519 L520 G611 L612 T614 V615	A512-E516 PolarHBondContact O-N 3.35Å; F513-E516 PolarHBondContact O-N 2.99Å; E516-G518 PolarHBondContact O-N 3.33Å; E516-V519 CarbonylContact O-C 3.58Å; E516-V519 WeakPolarHBondContact O-CA 3.47Å; E516-V519 WeakPolarHBondContact O-CB 3.41Å; E516-V519 PolarHBondContact O-N 2.86Å; E516-L520 WeakPolarHBondContact O-CG 3.43Å; E516-L520 PolarHBondContact O-N 3.31Å; E516-G611 VanDerWaalsContact CD-O 3.29Å; E516-L612 WeakPolarHBondContact OE2-CA 3.45Å; E516-T614 VanDerWaalsContact OE1-CB 3.24Å; E516-T614 WeakPolarHBondContact OE1-CB 3.13Å; E516-T614 PolarHBondContact OE1-OG1 2.99Å; E516-V615 VanDerWaalsContact CD-CG2 3.48Å; E516-V615 WeakPolarHBondContact OE1-CB 3.27Å; E516-V615 WeakPolarHBondContact OE1-CG2 3.2Å; E516-V615 PolarHBondContact OE1-N 3.25Å; E516-V615 WeakPolarHBondContact OE2-CB 3.41Å; E516-V615 WeakPolarHBondContact OE2-CG2 3.49Å
517	V	83.6	Confident	82.2	Confident	3 Å²	3	56.9 Å²	56.9	2%	0.018	28%	0.282	C	S	.	.	H	α-helix	trans	-53.2	-41.4	167.8	162.3	0	0	0	0	110.7	F513 V519 L520 R521 F531 Y534	F513-V517 HydrophobicContact CD1-CG2 4.37Å; F513-V517 HydrophobicContact CE1-CG2 4.02Å; F513-V517 HydrophobicContact CE2-CG2 4.25Å; F513-V517 HydrophobicContact CZ-CG2 3.98Å; F513-V517 WeakPolarHBondContact O-CG2 3.32Å; F513-V517 PolarHBondContact O-N 3.43Å; V517-V519 PolarHBondContact O-N 3.19Å; V517-L520 PolarHBondContact O-N 3.4Å; V517-R521 HydrophobicContact CG1-CG 4.23Å; V517-R521 WeakPolarHBondContact O-CB 3.39Å; V517-R521 WeakPolarHBondContact O-CD 3.15Å; V517-R521 WeakPolarHBondContact O-CG 3.37Å; V517-R521 PolarHBondContact O-N 3.38Å; V517-F531 HydrophobicContact CG1-CZ 3.94Å; V517-F531 HydrophobicContact CG2-CE2 4.34Å; V517-F531 HydrophobicContact CG2-CZ 4.32Å; V517-Y534 HydrophobicContact CG1-CD1 3.52Å; V517-Y534 HydrophobicContact CG1-CE1 3.73Å; V517-Y534 HydrophobicContact CG1-CG 4.28Å; V517-Y534 HydrophobicContact CG2-CD1 4.22Å; V517-Y534 HydrophobicContact CG2-CG 4.15Å
518	G	80.2	Confident	82.8	Confident	23 Å²	23	52 Å²	52	24%	0.237	25%	0.251	C	S	.	.	H	α-helix	trans	-66.4	-10.7	173.4	0	0	0	0	0	115.5	K514 N515 E516 K522	K514-G518 PolarHBondContact O-N 3.08Å; N515-G518 CarbonylContact O-C 3.54Å; N515-G518 WeakPolarHBondContact O-CA 3.44Å; N515-G518 PolarHBondContact O-N 3.05Å; E516-G518 PolarHBondContact O-N 3.33Å; G518-K522 VanDerWaalsContact O-CD 3.29Å; G518-K522 WeakPolarHBondContact O-CD 3.27Å; G518-K522 WeakPolarHBondContact O-CE 3.3Å; G518-K522 PolarHBondContact O-NZ 3.46Å
519	V	79.1	Confident	83.8	Confident	50 Å²	50	46.1 Å²	46.1	30%	0.303	22%	0.224	S	C	.	.	H	α-helix	trans	-94.5	-51.4	167.8	174.8	0	0	0	0	110.2	N515 E516 V517 R521 K522 I587	N515-V519 PolarHBondContact O-N 2.95Å; E516-V519 CarbonylContact O-C 3.58Å; E516-V519 WeakPolarHBondContact O-CA 3.47Å; E516-V519 WeakPolarHBondContact O-CB 3.41Å; E516-V519 PolarHBondContact O-N 2.86Å; V517-V519 PolarHBondContact O-N 3.19Å; V519-R521 VanDerWaalsContact C-N 3.3Å; V519-R521 PolarHBondContact O-N 2.9Å; V519-K522 WeakPolarHBondContact O-CB 3.43Å; V519-K522 PolarHBondContact O-N 3.4Å; V519-I587 HydrophobicContact CG1-CD1 3.57Å; V519-I587 HydrophobicContact CG1-CG1 3.65Å; V519-I587 HydrophobicContact CG1-CG2 4.18Å
520	L	83.5	Confident	84.7	Confident	11 Å²	11	47.9 Å²	47.9	6%	0.058	23%	0.234	C	C	.	.	H	α-helix	trans	-53.9	-45.3	-179.6	-63.2	177.9	0	0	0	111.8	E516 V517 K522 T523 F531 I542 F610	E516-L520 WeakPolarHBondContact O-CG 3.43Å; E516-L520 PolarHBondContact O-N 3.31Å; V517-L520 PolarHBondContact O-N 3.4Å; L520-K522 PolarHBondContact O-N 2.9Å; L520-T523 WeakPolarHBondContact O-CB 3.36Å; L520-T523 PolarHBondContact O-N 2.88Å; L520-T523 PolarHBondContact O-OG1 3.34Å; L520-F531 HydrophobicContact CB-CB 4.09Å; L520-F531 HydrophobicContact CB-CD2 3.54Å; L520-F531 HydrophobicContact CB-CE2 4.08Å; L520-F531 HydrophobicContact CB-CG 3.82Å; L520-F531 HydrophobicContact CD1-CD2 3.68Å; L520-F531 HydrophobicContact CD1-CE2 3.9Å; L520-F531 HydrophobicContact CG-CD2 4.23Å; L520-I542 HydrophobicContact CD1-CD1 4.13Å; L520-I542 HydrophobicContact CD1-CG2 4.48Å; L520-F610 HydrophobicContact CD2-CD2 3.84Å; L520-F610 HydrophobicContact CD2-CE2 3.37Å; L520-F610 HydrophobicContact CD2-CZ 3.81Å
521	R	83.7	Confident	85.3	Confident	50 Å²	50	45.6 Å²	45.6	19%	0.189	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-18.9	176.8	-75.2	169.1	53.2	170.9	-7.5	115.2	S461 S462 W465 V517 V519 T523 F531	S461-R521 PolarHBondContact O-NH1 2.78Å; S461-R521 PolarHBondContact O-NH2 3.25Å; S461-R521 PolarHBondContact OG-NH2 3.04Å; S461-R521 VanDerWaalsContact OG-NH2 3.14Å; S462-R521 PolarHBondContact O-NH1 2.98Å; W465-R521 VanDerWaalsContact CD1-NE 3.26Å; W465-R521 HydrophobicContact CD2-CG 4.22Å; W465-R521 HydrophobicContact CE3-CG 4.43Å; W465-R521 HydrophobicContact CG-CG 4.25Å; V517-R521 HydrophobicContact CG1-CG 4.23Å; V517-R521 WeakPolarHBondContact O-CB 3.39Å; V517-R521 WeakPolarHBondContact O-CD 3.15Å; V517-R521 WeakPolarHBondContact O-CG 3.37Å; V517-R521 PolarHBondContact O-N 3.38Å; V519-R521 VanDerWaalsContact C-N 3.3Å; V519-R521 PolarHBondContact O-N 2.9Å; R521-T523 VanDerWaalsContact C-N 3.34Å; R521-F531 HydrophobicContact CG-CD1 3.66Å; R521-F531 HydrophobicContact CG-CE1 3.3Å; R521-F531 HydrophobicContact CG-CZ 4.08Å
522	K	81.3	Confident	85.9	Confident	141 Å²	141	43 Å²	43	61%	0.613	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-2.1	177.6	-64.2	169.8	-177.8	141.6	0	112.6	G518 V519 L520 Y581	G518-K522 VanDerWaalsContact O-CD 3.29Å; G518-K522 WeakPolarHBondContact O-CD 3.27Å; G518-K522 WeakPolarHBondContact O-CE 3.3Å; G518-K522 PolarHBondContact O-NZ 3.46Å; V519-K522 WeakPolarHBondContact O-CB 3.43Å; V519-K522 PolarHBondContact O-N 3.4Å; L520-K522 PolarHBondContact O-N 2.9Å; K522-Y581 PolarHBondContact O-OH 3.4Å
523	T	89.2	Confident	86.8	Confident	4 Å²	4	42.7 Å²	42.7	3%	0.025	21%	0.207	C	C	.	.			trans	-97.5	124	179.6	68.7	0	0	0	0	111.8	L520 R521 Y581 L582 I587 F610	L520-T523 WeakPolarHBondContact O-CB 3.36Å; L520-T523 PolarHBondContact O-N 2.88Å; L520-T523 PolarHBondContact O-OG1 3.34Å; R521-T523 VanDerWaalsContact C-N 3.34Å; T523-Y581 HydrophobicContact CG2-CE1 4.27Å; T523-L582 HydrophobicContact CG2-CD2 3.96Å; T523-I587 HydrophobicContact CG2-CD1 3.57Å; T523-F610 HydrophobicContact CG2-CE2 3.76Å; T523-F610 HydrophobicContact CG2-CZ 4.25Å
524	R	91.7	Very high	87.4	Confident	176 Å²	176	42.6 Å²	42.6	66%	0.664	21%	0.207	S	C	*	.			trans	-149.5	103.1	172.5	-73.4	-169.2	172	-159.9	-6.6	107.5	Y581	R524-Y581 PolarHBondContact N-OH 2.9Å; R524-Y581 WeakPolarHBondContact O-CE2 3.47Å; R524-Y581 PolarHBondContact O-OH 3.45Å; R524-Y581 VanDerWaalsContact O-OH 3.09Å
525	H	94.8	Very high	87.9	Confident	59 Å²	59	40.1 Å²	40.1	27%	0.273	20%	0.197	S	C	.	.			trans	-156.1	148.1	179.5	-178.6	-107.6	0	0	0	108.9	N527 I528 Y581	H525-N527 VanDerWaalsContact C-N 3.27Å; H525-N527 PolarHBondContact ND1-N 3.47Å; H525-N527 PolarHBondContact O-N 3.02Å; H525-I528 HydrophobicContact CB-CB 4.22Å; H525-I528 HydrophobicContact CB-CG1 3.89Å; H525-I528 PolarHBondContact O-N 3.08Å; H525-I528 VanDerWaalsContact O-N 3.14Å; H525-Y581 HydrophobicContact CB-CD1 3.8Å; H525-Y581 HydrophobicContact CB-CD2 3.72Å; H525-Y581 HydrophobicContact CB-CE1 4.02Å; H525-Y581 HydrophobicContact CB-CE2 3.89Å; H525-Y581 HydrophobicContact CB-CG 3.67Å; H525-Y581 AromaticContact CD2-CD2 3.87Å; H525-Y581 AromaticContact CG-CD2 3.88Å; H525-Y581 AromaticContact CG-CG 3.8Å
526	V	95.1	Very high	88.4	Confident	74 Å²	74	38.1 Å²	38.1	45%	0.448	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-40.8	-175.3	62.3	0	0	0	0	112	I528 T604 K606	V526-I528 PolarHBondContact O-N 3.4Å; V526-T604 HydrophobicContact CG2-CG2 4.25Å; V526-K606 WeakPolarHBondContact O-CD 3.4Å; V526-K606 WeakPolarHBondContact O-CE 3.29Å; V526-K606 PolarHBondContact O-NZ 2.78Å
527	N	96.8	Very high	88.7	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.011	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	11.5	-178.9	-57.9	119.3	0	0	0	116	H525 Q574 V605 I607	H525-N527 VanDerWaalsContact C-N 3.27Å; H525-N527 PolarHBondContact ND1-N 3.47Å; H525-N527 PolarHBondContact O-N 3.02Å; N527-Q574 WeakPolarHBondContact CB-O 3.06Å; N527-Q574 PolarHBondContact ND2-OE1 3.42Å; N527-Q574 PolarHBondContact OD1-O 3.48Å; N527-V605 WeakPolarHBondContact CA-O 3.46Å; N527-V605 PolarHBondContact ND2-O 2.94Å; N527-I607 PolarHBondContact O-N 3.45Å
528	I	94.3	Very high	88.3	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.015	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-108.9	139.3	173.8	-62.9	-57.2	0	0	0	108.8	H525 V526 L530 Y581 L582 I607 F610	H525-I528 HydrophobicContact CB-CB 4.22Å; H525-I528 HydrophobicContact CB-CG1 3.89Å; H525-I528 PolarHBondContact O-N 3.08Å; H525-I528 VanDerWaalsContact O-N 3.14Å; V526-I528 PolarHBondContact O-N 3.4Å; I528-L530 PolarHBondContact O-N 3.31Å; I528-Y581 HydrophobicContact CG1-CD1 4.12Å; I528-L582 HydrophobicContact CD1-CD1 3.88Å; I528-L582 HydrophobicContact CD1-CD2 4.1Å; I528-L582 HydrophobicContact CD1-CG 3.8Å; I528-I607 HydrophobicContact CD1-CB 4.03Å; I528-I607 HydrophobicContact CD1-CD1 4.43Å; I528-F610 HydrophobicContact CG2-CD1 4.45Å; I528-F610 HydrophobicContact CG2-CE1 3.46Å; I528-F610 VanDerWaalsContact CG2-CE1 3.46Å; I528-F610 HydrophobicContact CG2-CE2 4.4Å; I528-F610 HydrophobicContact CG2-CZ 3.42Å; I528-F610 VanDerWaalsContact CG2-CZ 3.42Å
529	L	92	Very high	88.5	Confident	18 Å²	18	50.5 Å²	50.5	9%	0.094	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-64.9	117.7	174.8	-168	73.6	0	0	0	109	F531 T544 Q545 C547 K606 I607	L529-F531 PolarHBondContact O-N 3.04Å; L529-F531 VanDerWaalsContact O-N 3.17Å; L529-T544 HydrophobicContact CD2-CG2 4.12Å; L529-T544 HydrophobicContact CG-CG2 4.5Å; L529-Q545 HydrophobicContact CD1-CG 3.56Å; L529-Q545 HydrophobicContact CG-CG 4.11Å; L529-C547 VanDerWaalsContact CD1-SG 3.53Å; L529-K606 HydrophobicContact CD1-CB 4.19Å; L529-I607 VanDerWaalsContact CB-O 3.29Å; L529-I607 WeakPolarHBondContact CB-O 3.41Å; L529-I607 PolarHBondContact N-O 3.06Å
530	L	92.1	Very high	88.9	Confident	67 Å²	67	48.3 Å²	48.3	35%	0.351	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-64.3	116.4	-174.8	178.4	63.5	0	0	0	111.5	I528 M532 T544 Q545	I528-L530 PolarHBondContact O-N 3.31Å; L530-M532 HydrophobicContact CD2-CE 4.39Å; L530-M532 HydrophobicContact CG-CG 4.41Å; L530-T544 CarbonylContact O-C 3.6Å; L530-T544 WeakPolarHBondContact O-CA 3.44Å; L530-T544 WeakPolarHBondContact O-CB 3.28Å; L530-Q545 HydrophobicContact CB-CB 4.19Å; L530-Q545 HydrophobicContact CB-CG 4.04Å; L530-Q545 PolarHBondContact O-N 3.47Å
531	F	91.9	Very high	89.1	Confident	8 Å²	8	47.8 Å²	47.8	4%	0.035	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	126.6	163.7	179.1	-86.6	0	0	0	109.9	W465 V517 L520 R521 L529 G533 Y534 I542	W465-F531 HydrophobicContact CE3-CD1 4.35Å; W465-F531 HydrophobicContact CE3-CE1 4.19Å; V517-F531 HydrophobicContact CG1-CZ 3.94Å; V517-F531 HydrophobicContact CG2-CE2 4.34Å; V517-F531 HydrophobicContact CG2-CZ 4.32Å; L520-F531 HydrophobicContact CB-CB 4.09Å; L520-F531 HydrophobicContact CB-CD2 3.54Å; L520-F531 HydrophobicContact CB-CE2 4.08Å; L520-F531 HydrophobicContact CB-CG 3.82Å; L520-F531 HydrophobicContact CD1-CD2 3.68Å; L520-F531 HydrophobicContact CD1-CE2 3.9Å; L520-F531 HydrophobicContact CG-CD2 4.23Å; R521-F531 HydrophobicContact CG-CD1 3.66Å; R521-F531 HydrophobicContact CG-CE1 3.3Å; R521-F531 HydrophobicContact CG-CZ 4.08Å; L529-F531 PolarHBondContact O-N 3.04Å; L529-F531 VanDerWaalsContact O-N 3.17Å; F531-G533 VanDerWaalsContact CE1-CA 3.49Å; F531-G533 WeakPolarHBondContact CE2-O 3.47Å; F531-G533 VanDerWaalsContact CZ-O 3.3Å; F531-G533 WeakPolarHBondContact CZ-O 3.28Å; F531-Y534 HydrophobicContact CZ-CD1 4.36Å; F531-I542 HydrophobicContact CD2-CG2 4.06Å; F531-I542 HydrophobicContact CE2-CG2 3.95Å
532	M	92.3	Very high	89.4	Confident	49 Å²	49	45.9 Å²	45.9	24%	0.241	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-37.6	-178.5	-72.8	177.1	160.1	0	0	112.4	W491 V495 L530 V543 Q545	W491-M532 HydrophobicContact CE3-CB 4.49Å; W491-M532 HydrophobicContact CZ3-CB 4Å; V495-M532 HydrophobicContact CB-SD 4.43Å; V495-M532 HydrophobicContact CG1-CE 4.44Å; V495-M532 HydrophobicContact CG1-SD 3.56Å; V495-M532 VanDerWaalsContact CG1-SD 3.56Å; L530-M532 HydrophobicContact CD2-CE 4.39Å; L530-M532 HydrophobicContact CG-CG 4.41Å; M532-V543 HydrophobicContact CB-CG1 4.2Å; M532-V543 WeakPolarHBondContact CB-O 3.42Å; M532-V543 PolarHBondContact N-O 3.47Å; M532-Q545 HydrophobicContact CE-CB 3.85Å
533	G	91.4	Very high	90	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.2	-171.9	179.6	0	0	0	0	0	112.1	F531 V543	F531-G533 VanDerWaalsContact CE1-CA 3.49Å; F531-G533 WeakPolarHBondContact CE2-O 3.47Å; F531-G533 VanDerWaalsContact CZ-O 3.3Å; F531-G533 WeakPolarHBondContact CZ-O 3.28Å; G533-V543 PolarHBondContact N-O 3.38Å; G533-V543 PolarHBondContact O-N 2.98Å
534	Y	91.6	Very high	90.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	161.1	174.7	71.9	-83.8	0	0	0	110.3	S462 W465 E466 I467 F513 V517 F531 T536 A541	S462-Y534 PolarHBondContact O-OH 3.24Å; S462-Y534 PolarHBondContact OG-OH 3.47Å; W465-Y534 HydrophobicContact CB-CD1 4.49Å; W465-Y534 HydrophobicContact CB-CE1 4.39Å; W465-Y534 WeakPolarHBondContact O-CD1 3.47Å; W465-Y534 PolarHBondContact O-N 3.27Å; W465-Y534 VanDerWaalsContact O-N 3.14Å; E466-Y534 CarbonylContact C-O 3.39Å; E466-Y534 WeakPolarHBondContact CA-O 3.3Å; E466-Y534 HydrophobicContact CB-CE1 4.03Å; E466-Y534 HydrophobicContact CB-CE2 3.91Å; E466-Y534 VanDerWaalsContact CD-CE2 3.48Å; E466-Y534 HydrophobicContact CG-CD2 4.12Å; E466-Y534 HydrophobicContact CG-CE2 3.51Å; E466-Y534 WeakPolarHBondContact OE2-CE2 3.3Å; E466-Y534 PolarHBondContact OE2-OH 2.89Å; I467-Y534 PolarHBondContact N-O 3.29Å; F513-Y534 AromaticContact CE1-CD2 3.61Å; F513-Y534 HydrophobicContact CE1-CD2 3.61Å; F513-Y534 HydrophobicContact CE1-CE2 4.24Å; F513-Y534 HydrophobicContact CE1-CG 4.17Å; F513-Y534 HydrophobicContact CZ-CD2 4.1Å; F513-Y534 HydrophobicContact CZ-CG 4.33Å; V517-Y534 HydrophobicContact CG1-CD1 3.52Å; V517-Y534 HydrophobicContact CG1-CE1 3.73Å; V517-Y534 HydrophobicContact CG1-CG 4.28Å; V517-Y534 HydrophobicContact CG2-CD1 4.22Å; V517-Y534 HydrophobicContact CG2-CG 4.15Å; F531-Y534 HydrophobicContact CZ-CD1 4.36Å; Y534-T536 HydrophobicContact CD2-CG2 4.27Å; Y534-T536 HydrophobicContact CE2-CG2 3.9Å; Y534-A541 CarbonylContact C-O 3.55Å; Y534-A541 VanDerWaalsContact CA-O 3.29Å; Y534-A541 WeakPolarHBondContact CA-O 3.42Å; Y534-A541 WeakPolarHBondContact CB-O 3.46Å
535	T	89.9	Confident	90.2	Very high	9 Å²	9	32.9 Å²	32.9	6%	0.055	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	152.7	165.7	177.2	0	0	0	0	110.7	I472 K537 L540 A541	I472-T535 HydrophobicContact CD1-CG2 4.23Å; T535-K537 PolarHBondContact OG1-N 3.37Å; T535-K537 PolarHBondContact OG1-O 3.46Å; T535-L540 WeakPolarHBondContact O-CA 3.43Å; T535-A541 HydrophobicContact CG2-CB 3.8Å; T535-A541 PolarHBondContact N-O 3Å; T535-A541 PolarHBondContact O-N 3.03Å
536	T	86.1	Confident	90	Very high	42 Å²	42	32.3 Å²	32.3	26%	0.258	17%	0.169	S	C	.	.			trans	-104.7	-10.4	170.4	61.1	0	0	0	0	113.3	E466 Y534 L540	E466-T536 HydrophobicContact CG-CG2 4.45Å; E466-T536 WeakPolarHBondContact OE1-CB 3.18Å; E466-T536 WeakPolarHBondContact OE1-CG2 3.5Å; E466-T536 PolarHBondContact OE1-OG1 2.97Å; Y534-T536 HydrophobicContact CD2-CG2 4.27Å; Y534-T536 HydrophobicContact CE2-CG2 3.9Å; T536-L540 HydrophobicContact CG2-CD2 4.1Å
537	K	82.3	Confident	89.8	Confident	127 Å²	127	29.5 Å²	29.5	55%	0.552	15%	0.153	S	C	*	.	S	Bend	trans	-137.9	137.6	-173.8	-65.2	-177.2	-178.8	-179	0	112.1	E469 T535 Q539	E469-K537 HydrophobicContact CB-CB 4.37Å; T535-K537 PolarHBondContact OG1-N 3.37Å; T535-K537 PolarHBondContact OG1-O 3.46Å; K537-Q539 VanDerWaalsContact C-N 3.29Å
538	P	75.1	Confident	89.3	Confident	105 Å²	105	34.9 Å²	34.9	68%	0.682	18%	0.178	S	C	*	.	S	Bend	cis	-73.1	-12.1	-0.5	29.6	-36.6	0	0	0	114.2
539	Q	83.6	Confident	88.7	Confident	65 Å²	65	36 Å²	36	30%	0.304	19%	0.19	S	C	.	.	S	Bend	trans	-147.4	165	173.8	61.6	-175.1	-12.1	0	0	110.8	M499 K537 A541	M499-Q539 HydrophobicContact CE-CG 3.77Å; M499-Q539 PolarHBondContact SD-NE2 3.46Å; K537-Q539 VanDerWaalsContact C-N 3.29Å; Q539-A541 PolarHBondContact O-N 2.76Å
540	L	87.3	Confident	88.6	Confident	5 Å²	5	37.4 Å²	37.4	3%	0.026	20%	0.201	C	C	.	.			trans	-62.8	124.7	177.5	-69.9	175.8	0	0	0	111.1	L500 P505 L510 F513 T535 T536	L500-L540 HydrophobicContact CB-CB 4.31Å; L500-L540 HydrophobicContact CD1-CB 3.92Å; L500-L540 HydrophobicContact CG-CB 4.46Å; L500-L540 PolarHBondContact N-O 3.02Å; P505-L540 HydrophobicContact CB-CD1 3.62Å; P505-L540 HydrophobicContact CG-CD1 3.68Å; P505-L540 HydrophobicContact CG-CG 4.09Å; L510-L540 HydrophobicContact CD1-CD2 3.8Å; F513-L540 HydrophobicContact CD1-CD2 3.84Å; F513-L540 HydrophobicContact CE1-CD2 3.69Å; F513-L540 HydrophobicContact CG-CD1 4.47Å; F513-L540 HydrophobicContact CG-CD2 4.42Å; F513-L540 HydrophobicContact CZ-CD2 4.15Å; T535-L540 WeakPolarHBondContact O-CA 3.43Å; T536-L540 HydrophobicContact CG2-CD2 4.1Å
541	A	89.3	Confident	88.6	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	150.7	172.6	0	0	0	0	0	112.5	V497 K498 M499 Y534 T535 Q539	V497-A541 HydrophobicContact CG1-CB 4.03Å; K498-A541 VanDerWaalsContact O-CA 3.28Å; K498-A541 WeakPolarHBondContact O-CA 3.45Å; M499-A541 HydrophobicContact CB-CB 4.29Å; M499-A541 HydrophobicContact CG-CB 4.01Å; Y534-A541 CarbonylContact C-O 3.55Å; Y534-A541 VanDerWaalsContact CA-O 3.29Å; Y534-A541 WeakPolarHBondContact CA-O 3.42Å; Y534-A541 WeakPolarHBondContact CB-O 3.46Å; T535-A541 HydrophobicContact CG2-CB 3.8Å; T535-A541 PolarHBondContact N-O 3Å; T535-A541 PolarHBondContact O-N 3.03Å; Q539-A541 PolarHBondContact O-N 2.76Å
542	I	89.9	Confident	88.8	Confident	10 Å²	10	34.9 Å²	34.9	5%	0.051	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	135.9	173.2	-64.5	177.1	0	0	0	108.6	K498 F513 L520 F531 T544 L612	K498-I542 PolarHBondContact N-O 2.56Å; K498-I542 PolarHBondContact O-N 3.39Å; F513-I542 HydrophobicContact CE2-CD1 3.99Å; F513-I542 HydrophobicContact CE2-CG1 3.68Å; F513-I542 HydrophobicContact CZ-CG1 4.17Å; L520-I542 HydrophobicContact CD1-CD1 4.13Å; L520-I542 HydrophobicContact CD1-CG2 4.48Å; F531-I542 HydrophobicContact CD2-CG2 4.06Å; F531-I542 HydrophobicContact CE2-CG2 3.95Å; I542-T544 HydrophobicContact CG2-CG2 4.15Å; I542-L612 HydrophobicContact CD1-CD2 3.55Å
543	V	92.2	Very high	89	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.1	176.4	-172	0	0	0	0	109.2	I467 I472 V495 A496 V497 M532 G533	I467-V543 HydrophobicContact CD1-CB 3.98Å; I467-V543 HydrophobicContact CD1-CG1 4.38Å; I467-V543 HydrophobicContact CD1-CG2 3.75Å; I472-V543 HydrophobicContact CD1-CG2 3.73Å; V495-V543 HydrophobicContact CB-CG1 3.82Å; V495-V543 HydrophobicContact CG1-CG1 4.17Å; V495-V543 HydrophobicContact CG2-CG1 3.96Å; A496-V543 WeakPolarHBondContact O-CA 3.46Å; V497-V543 HydrophobicContact CG1-CG2 4.5Å; M532-V543 HydrophobicContact CB-CG1 4.2Å; M532-V543 WeakPolarHBondContact CB-O 3.42Å; M532-V543 PolarHBondContact N-O 3.47Å; G533-V543 PolarHBondContact N-O 3.38Å; G533-V543 PolarHBondContact O-N 2.98Å
544	T	92.5	Very high	89.1	Confident	25 Å²	25	38.5 Å²	38.5	15%	0.153	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	168.2	173.2	58.2	0	0	0	0	110.4	A496 L529 L530 I542 W546	A496-T544 PolarHBondContact N-O 2.73Å; A496-T544 PolarHBondContact O-N 2.77Å; L529-T544 HydrophobicContact CD2-CG2 4.12Å; L529-T544 HydrophobicContact CG-CG2 4.5Å; L530-T544 CarbonylContact O-C 3.6Å; L530-T544 WeakPolarHBondContact O-CA 3.44Å; L530-T544 WeakPolarHBondContact O-CB 3.28Å; I542-T544 HydrophobicContact CG2-CG2 4.15Å; T544-W546 PolarHBondContact O-N 3.34Å
545	Q	92.9	Very high	89.2	Confident	23 Å²	23	39.9 Å²	39.9	11%	0.107	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51	144.3	167.9	66.9	163.6	107	0	0	110.8	L529 L530 M532 H600	L529-Q545 HydrophobicContact CD1-CG 3.56Å; L529-Q545 HydrophobicContact CG-CG 4.11Å; L530-Q545 HydrophobicContact CB-CB 4.19Å; L530-Q545 HydrophobicContact CB-CG 4.04Å; L530-Q545 PolarHBondContact O-N 3.47Å; M532-Q545 HydrophobicContact CE-CB 3.85Å; Q545-H600 PolarHBondContact NE2-NE2 2.84Å
546	W	92.3	Very high	89.4	Confident	46 Å²	46	40 Å²	40	17%	0.174	21%	0.211	C	C	.	.			trans	-69.6	161.1	160.8	-175.1	-106.9	0	0	0	110.2	I478 K488 D494 A496 T544 E548	I478-W546 HydrophobicContact CD1-CH2 3.82Å; I478-W546 HydrophobicContact CD1-CZ3 4.37Å; I478-W546 HydrophobicContact CG1-CH2 3.81Å; I478-W546 HydrophobicContact CG1-CZ3 3.94Å; K488-W546 HydrophobicContact CB-CE3 4Å; K488-W546 HydrophobicContact CB-CH2 3.92Å; K488-W546 HydrophobicContact CB-CZ3 3.6Å; K488-W546 HydrophobicContact CD-CD2 3.82Å; K488-W546 HydrophobicContact CD-CE3 4.06Å; K488-W546 HydrophobicContact CD-CG 4.48Å; K488-W546 HydrophobicContact CD-CH2 3.94Å; K488-W546 HydrophobicContact CD-CZ2 3.66Å; K488-W546 HydrophobicContact CD-CZ3 4.12Å; K488-W546 HydrophobicContact CG-CD2 3.93Å; K488-W546 HydrophobicContact CG-CE3 3.71Å; K488-W546 HydrophobicContact CG-CH2 4.12Å; K488-W546 HydrophobicContact CG-CZ2 4.29Å; K488-W546 HydrophobicContact CG-CZ3 3.81Å; K488-W546 VanDerWaalsContact NZ-NE1 3.18Å; D494-W546 HydrophobicContact CB-CB 4.22Å; D494-W546 HydrophobicContact CB-CG 4.39Å; D494-W546 VanDerWaalsContact O-CB 3.27Å; D494-W546 WeakPolarHBondContact O-CB 3.46Å; A496-W546 HydrophobicContact CB-CE3 4.05Å; T544-W546 PolarHBondContact O-N 3.34Å; W546-E548 PolarHBondContact NE1-OE1 3.38Å; W546-E548 VanDerWaalsContact NE1-OE1 3.16Å; W546-E548 PolarHBondContact NE1-OE2 3.39Å
547	C	90.6	Very high	89.9	Confident	15 Å²	15	39.8 Å²	39.8	10%	0.101	21%	0.207	C	C	.	.			trans	-136.1	119.1	169.4	-69.8	0	0	0	0	107.5	L529 G549	L529-C547 VanDerWaalsContact CD1-SG 3.53Å; C547-G549 PolarHBondContact O-N 3.04Å
548	E	85.8	Confident	90.4	Very high	116 Å²	116	38.6 Å²	38.6	54%	0.542	21%	0.206	S	C	.	.	S	Bend	trans	-74.4	-8.8	-179.5	-60.2	-64.1	170.7	0	0	113.7	K488 W546	K488-E548 IonicContact NZ-OE1 3.27Å; K488-E548 PolarHBondContact NZ-OE1 3.37Å; K488-E548 IonicContact NZ-OE2 2.81Å; K488-E548 PolarHBondContact NZ-OE2 3Å; W546-E548 PolarHBondContact NE1-OE1 3.38Å; W546-E548 VanDerWaalsContact NE1-OE1 3.16Å; W546-E548 PolarHBondContact NE1-OE2 3.39Å
549	G	82.4	Confident	91.3	Very high	25 Å²	25	37.8 Å²	37.8	26%	0.258	20%	0.195	S	C	.	.	S	Bend	trans	-105.4	161	176.3	0	0	0	0	0	113.8	C547 L599	C547-G549 PolarHBondContact O-N 3.04Å; G549-L599 CarbonylContact C-O 3.44Å; G549-L599 VanDerWaalsContact CA-O 3.31Å; G549-L599 WeakPolarHBondContact CA-O 3.3Å
550	S	88.9	Confident	91.7	Very high	48 Å²	48	41.4 Å²	41.4	34%	0.336	21%	0.212	S	C	.	.			trans	-80.4	171.2	-171.5	-55.9	0	0	0	0	114.4	L599	S550-L599 PolarHBondContact O-N 3.18Å
551	S	93.1	Very high	92	Very high	23 Å²	23	43.2 Å²	43.2	16%	0.161	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-68.7	152.3	169.4	63.2	0	0	0	0	111.8	Y553 H554 H555 N595 I597	S551-Y553 PolarHBondContact O-N 3.16Å; S551-H554 WeakPolarHBondContact O-CB 3.43Å; S551-H554 PolarHBondContact O-N 3.24Å; S551-H554 PolarHBondContact OG-N 2.87Å; S551-H555 PolarHBondContact O-N 3.06Å; S551-H555 VanDerWaalsContact O-N 3.13Å; S551-N595 WeakPolarHBondContact CB-O 3.47Å; S551-I597 CarbonylContact C-O 3.56Å; S551-I597 WeakPolarHBondContact CA-O 3.33Å
552	L	96	Very high	92	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.9	-35.1	176.2	178.9	62.7	0	0	0	111.1	H554 H555 L556 I571 S594 I597 L599 V660 L664	L552-H554 VanDerWaalsContact C-N 3.34Å; L552-H554 PolarHBondContact O-N 3.22Å; L552-H555 PolarHBondContact O-N 3.07Å; L552-L556 HydrophobicContact CD1-CD1 3.9Å; L552-L556 HydrophobicContact CD1-CD2 4.46Å; L552-L556 HydrophobicContact CD1-CG 3.91Å; L552-L556 HydrophobicContact CD2-CD1 4.44Å; L552-L556 HydrophobicContact CG-CD1 3.85Å; L552-L556 HydrophobicContact CG-CG 4.25Å; L552-L556 WeakPolarHBondContact O-CB 3.36Å; L552-L556 WeakPolarHBondContact O-CG 3.33Å; L552-L556 PolarHBondContact O-N 2.62Å; L552-I571 HydrophobicContact CD1-CG2 4.24Å; L552-I571 HydrophobicContact CD2-CG2 4.13Å; L552-S594 PolarHBondContact N-O 3.12Å; L552-I597 HydrophobicContact CB-CB 4.18Å; L552-I597 HydrophobicContact CB-CG2 4.08Å; L552-I597 HydrophobicContact CD2-CB 4.47Å; L552-I597 HydrophobicContact CD2-CD1 4.4Å; L552-I597 HydrophobicContact CD2-CG2 4.08Å; L552-I597 PolarHBondContact N-O 3.22Å; L552-L599 HydrophobicContact CD1-CD1 4.14Å; L552-V660 HydrophobicContact CD2-CG1 4.05Å; L552-L664 HydrophobicContact CD1-CD2 3.93Å; L552-L664 HydrophobicContact CD2-CD2 4.07Å; L552-L664 HydrophobicContact CD2-CG 4.31Å
553	Y	95.1	Very high	92.1	Very high	61 Å²	61	53.9 Å²	53.9	24%	0.239	27%	0.269	C	S	.	.	H	α-helix	trans	-56.9	-46.3	172.8	-175.5	-79.6	0	0	0	111.7	S551 L556 H557 I558 S594 N595 W634 L669	S551-Y553 PolarHBondContact O-N 3.16Å; Y553-L556 PolarHBondContact O-N 2.9Å; Y553-H557 AromaticContact CD2-CD2 3.64Å; Y553-H557 HydrophobicContact CE1-CB 4.32Å; Y553-H557 AromaticContact CE2-CD2 3.83Å; Y553-H557 AromaticContact CG-CD2 3.92Å; Y553-H557 PolarHBondContact O-N 3.29Å; Y553-I558 HydrophobicContact CD1-CG1 4.27Å; Y553-I558 HydrophobicContact CE1-CD1 4.14Å; Y553-I558 HydrophobicContact CE1-CG1 4.11Å; Y553-S594 WeakPolarHBondContact CB-OG 3.35Å; Y553-S594 WeakPolarHBondContact CD2-OG 3.42Å; Y553-S594 PolarHBondContact N-O 3.12Å; Y553-N595 WeakPolarHBondContact CB-ND2 3.37Å; Y553-N595 VanDerWaalsContact CD2-ND2 3.28Å; Y553-N595 WeakPolarHBondContact CD2-ND2 3.37Å; Y553-W634 HydrophobicContact CD2-CH2 4.31Å; Y553-W634 HydrophobicContact CE2-CH2 4.24Å; Y553-L669 HydrophobicContact CE2-CD1 4.17Å; Y553-L669 HydrophobicContact CE2-CD2 4.14Å
554	H	93.6	Very high	92.1	Very high	63 Å²	63	60.5 Å²	60.5	29%	0.292	30%	0.3	S	S	.	.	H	α-helix	trans	-64.7	-45	-179.7	-174.6	83.3	0	0	0	110.8	S551 L552 L556 I558 I559	S551-H554 WeakPolarHBondContact O-CB 3.43Å; S551-H554 PolarHBondContact O-N 3.24Å; S551-H554 PolarHBondContact OG-N 2.87Å; L552-H554 VanDerWaalsContact C-N 3.34Å; L552-H554 PolarHBondContact O-N 3.22Å; H554-L556 PolarHBondContact O-N 3.38Å; H554-I558 WeakPolarHBondContact O-CB 3.45Å; H554-I558 PolarHBondContact O-N 3.09Å; H554-I558 VanDerWaalsContact O-N 3.08Å; H554-I559 WeakPolarHBondContact O-CG1 3.48Å; H554-I559 PolarHBondContact O-N 2.92Å
555	H	94.4	Very high	92.1	Very high	30 Å²	30	60.4 Å²	60.4	14%	0.139	30%	0.298	C	S	.	.	H	α-helix	trans	-61.4	-40.4	175.6	-81.5	-73.5	0	0	0	113.6	S551 L552 E560 T561 F563 L599	S551-H555 PolarHBondContact O-N 3.06Å; S551-H555 VanDerWaalsContact O-N 3.13Å; L552-H555 PolarHBondContact O-N 3.07Å; H555-E560 CarbonylContact O-C 3.43Å; H555-E560 PolarHBondContact O-N 3.34Å; H555-T561 PolarHBondContact ND1-OG1 3.08Å; H555-T561 WeakPolarHBondContact O-CB 3.45Å; H555-T561 PolarHBondContact O-N 3.26Å; H555-T561 PolarHBondContact O-OG1 3.43Å; H555-F563 HydrophobicContact CB-CE2 3.92Å; H555-F563 HydrophobicContact CB-CZ 4.06Å; H555-L599 HydrophobicContact CB-CD1 4.47Å
556	L	95	Very high	92	Very high	10 Å²	10	63.2 Å²	63.2	5%	0.052	31%	0.313	C	S	.	.	H	α-helix	trans	-80.4	-45.1	-177.6	-66.9	178.1	0	0	0	113.1	L552 Y553 H554 F563 E663 L664	L552-L556 HydrophobicContact CD1-CD1 3.9Å; L552-L556 HydrophobicContact CD1-CD2 4.46Å; L552-L556 HydrophobicContact CD1-CG 3.91Å; L552-L556 HydrophobicContact CD2-CD1 4.44Å; L552-L556 HydrophobicContact CG-CD1 3.85Å; L552-L556 HydrophobicContact CG-CG 4.25Å; L552-L556 WeakPolarHBondContact O-CB 3.36Å; L552-L556 WeakPolarHBondContact O-CG 3.33Å; L552-L556 PolarHBondContact O-N 2.62Å; Y553-L556 PolarHBondContact O-N 2.9Å; H554-L556 PolarHBondContact O-N 3.38Å; L556-F563 HydrophobicContact CD2-CD2 4.45Å; L556-E663 HydrophobicContact CD1-CB 3.87Å; L556-L664 HydrophobicContact CD1-CD2 4.3Å
557	H	94.7	Very high	92	Very high	38 Å²	38	65.7 Å²	65.7	18%	0.176	33%	0.325	C	S	.	.	H	α-helix	trans	-119.1	3	-163.8	-43.5	-67.6	0	0	0	115.2	Y553 E663	Y553-H557 AromaticContact CD2-CD2 3.64Å; Y553-H557 HydrophobicContact CE1-CB 4.32Å; Y553-H557 AromaticContact CE2-CD2 3.83Å; Y553-H557 AromaticContact CG-CD2 3.92Å; Y553-H557 PolarHBondContact O-N 3.29Å; H557-E663 IonicContact CD2-OE1 3.76Å; H557-E663 IonicContact CE1-OE1 3.7Å; H557-E663 IonicContact NE2-OE1 2.78Å; H557-E663 PolarHBondContact NE2-OE1 3.12Å
558	I	94.3	Very high	92.2	Very high	102 Å²	102	65.1 Å²	65.1	52%	0.523	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-43.1	176.9	-55.6	-67.7	0	0	0	111.9	Y553 H554	Y553-I558 HydrophobicContact CD1-CG1 4.27Å; Y553-I558 HydrophobicContact CE1-CD1 4.14Å; Y553-I558 HydrophobicContact CE1-CG1 4.11Å; H554-I558 WeakPolarHBondContact O-CB 3.45Å; H554-I558 PolarHBondContact O-N 3.09Å; H554-I558 VanDerWaalsContact O-N 3.08Å
559	I	93.4	Very high	92.7	Very high	89 Å²	89	59.6 Å²	59.6	46%	0.456	30%	0.295	S	S	.	.	S	Bend	trans	-115.9	10.8	177.8	62.2	162.8	0	0	0	113.6	H554 T561	H554-I559 WeakPolarHBondContact O-CG1 3.48Å; H554-I559 PolarHBondContact O-N 2.92Å; I559-T561 VanDerWaalsContact C-N 3.27Å; I559-T561 WeakPolarHBondContact CD1-OG1 3.21Å; I559-T561 PolarHBondContact O-N 3.41Å
560	E	92.5	Very high	93.3	Very high	141 Å²	141	60.8 Å²	60.8	66%	0.659	30%	0.296	S	S	*	.			trans	39.1	48.3	173.5	-60	-169.9	178.4	0	0	115.2	H555 K562	H555-E560 CarbonylContact O-C 3.43Å; H555-E560 PolarHBondContact O-N 3.34Å; E560-K562 WeakPolarHBondContact O-CG 3.33Å; E560-K562 PolarHBondContact O-N 3.08Å; E560-K562 VanDerWaalsContact O-N 3.08Å
561	T	92.2	Very high	93.7	Very high	43 Å²	43	58.6 Å²	58.6	26%	0.264	28%	0.28	S	S	.	.			trans	-61.6	113.1	-175.1	-57.5	0	0	0	0	110.5	H555 I559 F563	H555-T561 PolarHBondContact ND1-OG1 3.08Å; H555-T561 WeakPolarHBondContact O-CB 3.45Å; H555-T561 PolarHBondContact O-N 3.26Å; H555-T561 PolarHBondContact O-OG1 3.43Å; I559-T561 VanDerWaalsContact C-N 3.27Å; I559-T561 WeakPolarHBondContact CD1-OG1 3.21Å; I559-T561 PolarHBondContact O-N 3.41Å; T561-F563 VanDerWaalsContact C-N 3.28Å; T561-F563 HydrophobicContact CG2-CD1 4.02Å; T561-F563 HydrophobicContact CG2-CD2 4.18Å; T561-F563 HydrophobicContact CG2-CE1 3.61Å; T561-F563 HydrophobicContact CG2-CE2 3.79Å; T561-F563 HydrophobicContact CG2-CG 4.29Å; T561-F563 HydrophobicContact CG2-CZ 3.48Å; T561-F563 VanDerWaalsContact CG2-CZ 3.48Å; T561-F563 WeakPolarHBondContact O-CD2 3.34Å; T561-F563 PolarHBondContact O-N 3.32Å
562	K	90.8	Very high	93.9	Very high	197 Å²	197	57.5 Å²	57.5	86%	0.857	27%	0.273	S	S	*	.			trans	-77.7	71.8	-175	-62.1	-176.2	-178.8	175.4	0	112	E560	E560-K562 WeakPolarHBondContact O-CG 3.33Å; E560-K562 PolarHBondContact O-N 3.08Å; E560-K562 VanDerWaalsContact O-N 3.08Å
563	F	92.3	Very high	94	Very high	36 Å²	36	60.1 Å²	60.1	16%	0.158	28%	0.282	C	S	.	.			trans	-67.1	140.6	174	-61.4	-68.1	0	0	0	112.3	H555 L556 T561 K567 L568 I571 L599 L603	H555-F563 HydrophobicContact CB-CE2 3.92Å; H555-F563 HydrophobicContact CB-CZ 4.06Å; L556-F563 HydrophobicContact CD2-CD2 4.45Å; T561-F563 VanDerWaalsContact C-N 3.28Å; T561-F563 HydrophobicContact CG2-CD1 4.02Å; T561-F563 HydrophobicContact CG2-CD2 4.18Å; T561-F563 HydrophobicContact CG2-CE1 3.61Å; T561-F563 HydrophobicContact CG2-CE2 3.79Å; T561-F563 HydrophobicContact CG2-CG 4.29Å; T561-F563 HydrophobicContact CG2-CZ 3.48Å; T561-F563 VanDerWaalsContact CG2-CZ 3.48Å; T561-F563 WeakPolarHBondContact O-CD2 3.34Å; T561-F563 PolarHBondContact O-N 3.32Å; F563-K567 HydrophobicContact CB-CB 4.42Å; F563-L568 HydrophobicContact CB-CD2 3.81Å; F563-L568 HydrophobicContact CB-CG 3.82Å; F563-L568 HydrophobicContact CD2-CD2 4.02Å; F563-L568 HydrophobicContact CG-CD2 4.3Å; F563-I571 HydrophobicContact CZ-CD1 4.5Å; F563-L599 HydrophobicContact CE1-CD1 4.43Å; F563-L599 HydrophobicContact CE2-CD1 4.28Å; F563-L599 HydrophobicContact CZ-CD1 3.66Å; F563-L603 HydrophobicContact CD1-CD1 4.47Å; F563-L603 HydrophobicContact CE1-CD1 4.16Å; F563-L603 HydrophobicContact CE1-CD2 4.03Å
564	E	91.7	Very high	94.1	Very high	139 Å²	139	58 Å²	58	65%	0.65	28%	0.275	S	S	*	.			trans	-64.4	152	167	-63.9	-173.3	166.1	0	0	111.9	I566 K567 L568	E564-I566 HydrophobicContact CB-CG2 4.05Å; E564-I566 PolarHBondContact O-N 3.4Å; E564-I566 VanDerWaalsContact O-N 3.14Å; E564-I566 WeakPolarHBondContact OE2-CG2 3.47Å; E564-K567 PolarHBondContact O-N 3.33Å; E564-L568 PolarHBondContact O-N 3.44Å
565	M	91.3	Very high	94.4	Very high	23 Å²	23	55 Å²	55	11%	0.113	26%	0.261	C	S	.	.	H	α-helix	trans	-55.5	-33.7	177.6	-174.5	54.4	62	0	0	113	L568 I569 M665 N699 C700	M565-L568 HydrophobicContact CE-CD1 4.33Å; M565-I569 HydrophobicContact CG-CD1 3.88Å; M565-I569 WeakPolarHBondContact O-CB 3.25Å; M565-I569 VanDerWaalsContact O-CG1 3.24Å; M565-I569 WeakPolarHBondContact O-CG1 3.1Å; M565-I569 PolarHBondContact O-N 3.1Å; M565-I569 HydrophobicContact SD-CD1 3.8Å; M565-I569 HydrophobicContact SD-CG1 4.05Å; M565-M665 HydrophobicContact CE-SD 4.2Å; M565-M665 HydrophobicContact SD-CE 4.36Å; M565-M665 HydrophobicContact SD-SD 3.74Å; M565-N699 VanDerWaalsContact CE-OD1 3.27Å; M565-N699 WeakPolarHBondContact CE-OD1 3.44Å; M565-C700 HydrophobicContact CE-CB 4.21Å
566	I	90.8	Very high	94.6	Very high	83 Å²	83	53.6 Å²	53.6	43%	0.426	25%	0.254	S	S	.	.	H	α-helix	trans	-67.5	-35.9	175.9	-169.3	60.9	0	0	0	112.4	E564 D570 L736	E564-I566 HydrophobicContact CB-CG2 4.05Å; E564-I566 PolarHBondContact O-N 3.4Å; E564-I566 VanDerWaalsContact O-N 3.14Å; E564-I566 WeakPolarHBondContact OE2-CG2 3.47Å; I566-D570 PolarHBondContact O-N 2.87Å; I566-L736 HydrophobicContact CD1-CD1 4.39Å
567	K	93.3	Very high	94.7	Very high	97 Å²	97	54.6 Å²	54.6	42%	0.422	26%	0.259	S	S	.	.	H	α-helix	trans	-74.3	-40.6	175.7	-71.1	-68	-168.1	170	0	111.7	F563 E564 I569 D570 I571 L603	F563-K567 HydrophobicContact CB-CB 4.42Å; E564-K567 PolarHBondContact O-N 3.33Å; K567-I569 VanDerWaalsContact C-N 3.29Å; K567-I569 PolarHBondContact O-N 2.75Å; K567-D570 PolarHBondContact O-N 3.49Å; K567-I571 WeakPolarHBondContact O-CG1 3.43Å; K567-I571 PolarHBondContact O-N 2.77Å; K567-L603 HydrophobicContact CD-CD1 4.04Å
568	L	95.4	Very high	94.8	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.016	25%	0.25	C	S	.	.	H	α-helix	trans	-58.3	-41.5	172.8	-68.1	169.7	0	0	0	111.9	F563 E564 M565 A572 L664 M665	F563-L568 HydrophobicContact CB-CD2 3.81Å; F563-L568 HydrophobicContact CB-CG 3.82Å; F563-L568 HydrophobicContact CD2-CD2 4.02Å; F563-L568 HydrophobicContact CG-CD2 4.3Å; E564-L568 PolarHBondContact O-N 3.44Å; M565-L568 HydrophobicContact CE-CD1 4.33Å; L568-A572 PolarHBondContact O-N 2.89Å; L568-L664 WeakPolarHBondContact CD1-O 3.3Å; L568-L664 HydrophobicContact CD2-CB 4.44Å; L568-L664 HydrophobicContact CD2-CD2 3.68Å; L568-M665 HydrophobicContact CB-CE 4.1Å
569	I	94.6	Very high	95	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-73	-31.3	177.9	-69.6	174.5	0	0	0	111.8	M565 K567 R573 M665 P701 M704 I729 L732 A733 L736	M565-I569 HydrophobicContact CG-CD1 3.88Å; M565-I569 WeakPolarHBondContact O-CB 3.25Å; M565-I569 VanDerWaalsContact O-CG1 3.24Å; M565-I569 WeakPolarHBondContact O-CG1 3.1Å; M565-I569 PolarHBondContact O-N 3.1Å; M565-I569 HydrophobicContact SD-CD1 3.8Å; M565-I569 HydrophobicContact SD-CG1 4.05Å; K567-I569 VanDerWaalsContact C-N 3.29Å; K567-I569 PolarHBondContact O-N 2.75Å; I569-R573 WeakPolarHBondContact O-CB 3.48Å; I569-R573 PolarHBondContact O-N 3.04Å; I569-M665 HydrophobicContact CG1-CE 3.9Å; I569-P701 HydrophobicContact CD1-CG 3.89Å; I569-M704 HydrophobicContact CB-CE 4.42Å; I569-M704 HydrophobicContact CG1-CE 3.86Å; I569-M704 HydrophobicContact CG2-CE 4.21Å; I569-I729 HydrophobicContact CG2-CG2 4.12Å; I569-L732 HydrophobicContact CD1-CD2 4.13Å; I569-A733 HydrophobicContact CG2-CB 4.35Å; I569-L736 HydrophobicContact CD1-CD1 3.53Å
570	D	95.3	Very high	95.2	Very high	50 Å²	50	45.6 Å²	45.6	27%	0.267	21%	0.214	S	C	.	.	H	α-helix	trans	-71.4	-40.1	172.5	-163.1	69.8	0	0	0	112.8	I566 K567 A572 R573 Q574	I566-D570 PolarHBondContact O-N 2.87Å; K567-D570 PolarHBondContact O-N 3.49Å; D570-A572 VanDerWaalsContact C-N 3.3Å; D570-A572 PolarHBondContact O-N 3.35Å; D570-R573 WeakPolarHBondContact O-CB 3.49Å; D570-R573 PolarHBondContact O-N 3.03Å; D570-R573 VanDerWaalsContact O-N 3.1Å; D570-R573 IonicContact OD1-CZ 2.75Å; D570-R573 IonicContact OD1-NE 3.76Å; D570-R573 PolarHBondContact OD1-NE 3.02Å; D570-R573 IonicContact OD1-NH2 3.59Å; D570-R573 PolarHBondContact OD1-NH2 3.19Å; D570-R573 IonicContact OD2-NH2 3.71Å; D570-R573 PolarHBondContact OD2-NH2 2.86Å; D570-Q574 WeakPolarHBondContact O-CB 3.45Å; D570-Q574 WeakPolarHBondContact O-CG 3.27Å; D570-Q574 PolarHBondContact O-N 3.06Å; D570-Q574 PolarHBondContact OD2-NE2 3.47Å
571	I	97.3	Very high	95.4	Very high	2 Å²	2	41 Å²	41	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-58.7	-44.1	171.5	-68.6	164.9	0	0	0	110.1	L552 F563 K567 R573 T575 L599 V605 L664	L552-I571 HydrophobicContact CD1-CG2 4.24Å; L552-I571 HydrophobicContact CD2-CG2 4.13Å; F563-I571 HydrophobicContact CZ-CD1 4.5Å; K567-I571 WeakPolarHBondContact O-CG1 3.43Å; K567-I571 PolarHBondContact O-N 2.77Å; I571-R573 PolarHBondContact O-N 2.85Å; I571-T575 VanDerWaalsContact O-CB 3.31Å; I571-T575 WeakPolarHBondContact O-CB 3.39Å; I571-T575 PolarHBondContact O-N 2.69Å; I571-T575 PolarHBondContact O-OG1 3.13Å; I571-L599 HydrophobicContact CD1-CD1 4.06Å; I571-L599 HydrophobicContact CD1-CD2 4.15Å; I571-L599 HydrophobicContact CG1-CD2 4.1Å; I571-L599 HydrophobicContact CG2-CD2 4.23Å; I571-V605 HydrophobicContact CB-CG2 4.31Å; I571-V605 HydrophobicContact CG1-CG2 4.39Å; I571-V605 HydrophobicContact CG2-CG2 3.96Å; I571-L664 HydrophobicContact CB-CD2 4.38Å; I571-L664 HydrophobicContact CG2-CD1 4.25Å; I571-L664 HydrophobicContact CG2-CD2 3.94Å
572	A	98.1	Very high	95.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61	-42	173.2	0	0	0	0	0	112.7	L568 D570 A576 L661 L664 M704 I729	L568-A572 PolarHBondContact O-N 2.89Å; D570-A572 VanDerWaalsContact C-N 3.3Å; D570-A572 PolarHBondContact O-N 3.35Å; A572-A576 WeakPolarHBondContact O-CB 3.39Å; A572-A576 PolarHBondContact O-N 3.02Å; A572-L661 HydrophobicContact CB-CD2 3.65Å; A572-L664 HydrophobicContact CB-CD1 4.03Å; A572-M704 HydrophobicContact CB-CE 4.11Å; A572-I729 HydrophobicContact CB-CD1 4.34Å
573	R	97.8	Very high	95.6	Very high	54 Å²	54	30.4 Å²	30.4	20%	0.204	14%	0.141	C	C	.	.	H	α-helix	trans	-62.3	-51.5	176.8	-174.4	-169.8	62.9	71.8	6.6	111.6	I569 D570 I571 T575 A576 Q577 L726 I729 E730	I569-R573 WeakPolarHBondContact O-CB 3.48Å; I569-R573 PolarHBondContact O-N 3.04Å; D570-R573 WeakPolarHBondContact O-CB 3.49Å; D570-R573 PolarHBondContact O-N 3.03Å; D570-R573 VanDerWaalsContact O-N 3.1Å; D570-R573 IonicContact OD1-CZ 2.75Å; D570-R573 IonicContact OD1-NE 3.76Å; D570-R573 PolarHBondContact OD1-NE 3.02Å; D570-R573 IonicContact OD1-NH2 3.59Å; D570-R573 PolarHBondContact OD1-NH2 3.19Å; D570-R573 IonicContact OD2-NH2 3.71Å; D570-R573 PolarHBondContact OD2-NH2 2.86Å; I571-R573 PolarHBondContact O-N 2.85Å; R573-T575 VanDerWaalsContact C-N 3.35Å; R573-T575 PolarHBondContact O-N 3.22Å; R573-A576 PolarHBondContact O-N 3.28Å; R573-Q577 WeakPolarHBondContact O-CG 3.42Å; R573-Q577 PolarHBondContact O-N 2.91Å; R573-L726 HydrophobicContact CG-CD1 4.05Å; R573-I729 HydrophobicContact CB-CG2 3.72Å; R573-I729 HydrophobicContact CG-CG2 4.27Å; R573-E730 HydrophobicContact CG-CG 4.28Å
574	Q	98.1	Very high	95.6	Very high	18 Å²	18	32.5 Å²	32.5	8%	0.084	17%	0.166	C	C	.	.	H	α-helix	trans	-63.6	-39.4	179.9	-71	-171.1	56.8	0	0	111.9	N527 D570 Q577 G578 L603 V605	N527-Q574 WeakPolarHBondContact CB-O 3.06Å; N527-Q574 PolarHBondContact ND2-OE1 3.42Å; N527-Q574 PolarHBondContact OD1-O 3.48Å; D570-Q574 WeakPolarHBondContact O-CB 3.45Å; D570-Q574 WeakPolarHBondContact O-CG 3.27Å; D570-Q574 PolarHBondContact O-N 3.06Å; D570-Q574 PolarHBondContact OD2-NE2 3.47Å; Q574-Q577 PolarHBondContact O-N 3.45Å; Q574-G578 PolarHBondContact O-N 3.13Å; Q574-L603 PolarHBondContact NE2-O 3.18Å; Q574-V605 HydrophobicContact CB-CB 3.74Å; Q574-V605 HydrophobicContact CB-CG2 3.7Å; Q574-V605 HydrophobicContact CG-CG2 4.49Å
575	T	98.5	Very high	95.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.9	-44.7	173.6	-55.8	0	0	0	0	110.9	I571 R573 Q577 G578 M579 I597 I607 F657	I571-T575 VanDerWaalsContact O-CB 3.31Å; I571-T575 WeakPolarHBondContact O-CB 3.39Å; I571-T575 PolarHBondContact O-N 2.69Å; I571-T575 PolarHBondContact O-OG1 3.13Å; R573-T575 VanDerWaalsContact C-N 3.35Å; R573-T575 PolarHBondContact O-N 3.22Å; T575-Q577 VanDerWaalsContact C-N 3.33Å; T575-Q577 PolarHBondContact O-N 2.71Å; T575-G578 PolarHBondContact O-N 3.42Å; T575-M579 WeakPolarHBondContact O-CG 3.43Å; T575-M579 PolarHBondContact O-N 3.15Å; T575-I597 HydrophobicContact CG2-CD1 3.81Å; T575-I607 HydrophobicContact CG2-CD1 4.11Å; T575-I607 WeakPolarHBondContact O-CD1 3.34Å; T575-F657 HydrophobicContact CG2-CD2 3.84Å; T575-F657 HydrophobicContact CG2-CE2 3.76Å
576	A	98.4	Very high	95.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63	-36.2	174.8	0	0	0	0	0	112.7	A572 R573 M579 D580 F657 F722 I725 L726 I729	A572-A576 WeakPolarHBondContact O-CB 3.39Å; A572-A576 PolarHBondContact O-N 3.02Å; R573-A576 PolarHBondContact O-N 3.28Å; A576-M579 PolarHBondContact O-N 3.12Å; A576-D580 VanDerWaalsContact O-CB 3.29Å; A576-D580 WeakPolarHBondContact O-CB 3.3Å; A576-D580 PolarHBondContact O-N 3.48Å; A576-F657 HydrophobicContact CB-CE2 4.39Å; A576-F657 HydrophobicContact CB-CZ 4.03Å; A576-F722 HydrophobicContact CB-CD1 4.16Å; A576-F722 HydrophobicContact CB-CE1 4.48Å; A576-I725 HydrophobicContact CB-CG2 4.34Å; A576-L726 HydrophobicContact CB-CB 4.39Å; A576-L726 HydrophobicContact CB-CD1 4.39Å; A576-I729 HydrophobicContact CB-CD1 4.02Å
577	Q	97.9	Very high	95.3	Very high	30 Å²	30	31.4 Å²	31.4	14%	0.14	17%	0.168	C	C	.	.	H	α-helix	trans	-65.3	-41.4	174.2	-72.7	-178.1	-28.4	0	0	112.6	R573 Q574 T575 Y581 L726 E730	R573-Q577 WeakPolarHBondContact O-CG 3.42Å; R573-Q577 PolarHBondContact O-N 2.91Å; Q574-Q577 PolarHBondContact O-N 3.45Å; T575-Q577 VanDerWaalsContact C-N 3.33Å; T575-Q577 PolarHBondContact O-N 2.71Å; Q577-Y581 PolarHBondContact O-N 2.71Å; Q577-Y581 VanDerWaalsContact O-N 3.16Å; Q577-L726 HydrophobicContact CG-CD1 3.49Å; Q577-L726 VanDerWaalsContact CG-CD1 3.49Å; Q577-L726 HydrophobicContact CG-CD2 3.71Å; Q577-L726 HydrophobicContact CG-CG 4.26Å; Q577-E730 PolarHBondContact NE2-OE1 3.23Å
578	G	97.3	Very high	95.1	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.6	-46	173.1	0	0	0	0	0	112.5	Q574 T575 Y581 L582	Q574-G578 PolarHBondContact O-N 3.13Å; T575-G578 PolarHBondContact O-N 3.42Å; G578-Y581 WeakPolarHBondContact O-CB 3.17Å; G578-Y581 PolarHBondContact O-N 3.03Å; G578-L582 PolarHBondContact O-N 2.91Å; G578-L582 VanDerWaalsContact O-N 3.13Å
579	M	98	Very high	94.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-69.2	-38.2	179.6	-70.7	-56	-56	0	0	113.5	T575 A576 Y581 L582 H583 H589 L592 I607 D653 F722	T575-M579 WeakPolarHBondContact O-CG 3.43Å; T575-M579 PolarHBondContact O-N 3.15Å; A576-M579 PolarHBondContact O-N 3.12Å; M579-Y581 VanDerWaalsContact C-N 3.3Å; M579-Y581 PolarHBondContact O-N 3.08Å; M579-L582 PolarHBondContact O-N 3.48Å; M579-L582 HydrophobicContact SD-CD1 4.03Å; M579-H583 PolarHBondContact O-N 2.88Å; M579-H589 HydrophobicContact CE-CB 3.89Å; M579-H589 HydrophobicContact SD-CB 4.26Å; M579-L592 HydrophobicContact CE-CD2 4.13Å; M579-L592 HydrophobicContact CG-CD1 4.49Å; M579-L592 HydrophobicContact CG-CD2 3.95Å; M579-L592 HydrophobicContact SD-CD1 3.98Å; M579-L592 HydrophobicContact SD-CD2 3.87Å; M579-L592 HydrophobicContact SD-CG 4.43Å; M579-I607 HydrophobicContact CG-CD1 3.82Å; M579-I607 HydrophobicContact SD-CD1 3.96Å; M579-D653 HydrophobicContact CE-CB 3.81Å; M579-D653 WeakPolarHBondContact CE-OD2 3.29Å; M579-F722 HydrophobicContact CB-CD1 3.61Å; M579-F722 HydrophobicContact CB-CD2 3.9Å; M579-F722 HydrophobicContact CB-CE1 3.4Å; M579-F722 HydrophobicContact CB-CE2 3.69Å; M579-F722 HydrophobicContact CB-CG 3.85Å; M579-F722 HydrophobicContact CB-CZ 3.44Å; M579-F722 VanDerWaalsContact CB-CZ 3.44Å; M579-F722 HydrophobicContact CE-CE2 4.07Å; M579-F722 HydrophobicContact CE-CZ 4.28Å; M579-F722 HydrophobicContact CG-CE1 3.93Å; M579-F722 HydrophobicContact CG-CE2 4.29Å; M579-F722 HydrophobicContact CG-CZ 3.75Å
580	D	97.6	Very high	94.5	Very high	40 Å²	40	31.1 Å²	31.1	21%	0.214	17%	0.167	C	C	.	.	H	α-helix	trans	-59.1	-43	173.7	-163.6	50.7	0	0	0	111.2	A576 L582 H583 A584 F722 P723	A576-D580 VanDerWaalsContact O-CB 3.29Å; A576-D580 WeakPolarHBondContact O-CB 3.3Å; A576-D580 PolarHBondContact O-N 3.48Å; D580-L582 PolarHBondContact O-N 3.45Å; D580-H583 PolarHBondContact O-N 2.93Å; D580-A584 VanDerWaalsContact O-CB 3.24Å; D580-A584 WeakPolarHBondContact O-CB 3.38Å; D580-A584 PolarHBondContact O-N 2.8Å; D580-F722 HydrophobicContact CB-CB 3.89Å; D580-P723 WeakPolarHBondContact OD1-CD 3.43Å; D580-P723 WeakPolarHBondContact OD1-CG 3.48Å; D580-P723 VanDerWaalsContact OD1-N 3.11Å
581	Y	96.4	Very high	94.1	Very high	44 Å²	44	30 Å²	30	17%	0.173	16%	0.161	C	C	.	.	H	α-helix	trans	-59.9	-44.9	173.8	176.9	-85.9	0	0	0	112.7	K522 T523 R524 H525 I528 Q577 G578 M579 A584 K585	K522-Y581 PolarHBondContact O-OH 3.4Å; T523-Y581 HydrophobicContact CG2-CE1 4.27Å; R524-Y581 PolarHBondContact N-OH 2.9Å; R524-Y581 WeakPolarHBondContact O-CE2 3.47Å; R524-Y581 PolarHBondContact O-OH 3.45Å; R524-Y581 VanDerWaalsContact O-OH 3.09Å; H525-Y581 HydrophobicContact CB-CD1 3.8Å; H525-Y581 HydrophobicContact CB-CD2 3.72Å; H525-Y581 HydrophobicContact CB-CE1 4.02Å; H525-Y581 HydrophobicContact CB-CE2 3.89Å; H525-Y581 HydrophobicContact CB-CG 3.67Å; H525-Y581 AromaticContact CD2-CD2 3.87Å; H525-Y581 AromaticContact CG-CD2 3.88Å; H525-Y581 AromaticContact CG-CG 3.8Å; I528-Y581 HydrophobicContact CG1-CD1 4.12Å; Q577-Y581 PolarHBondContact O-N 2.71Å; Q577-Y581 VanDerWaalsContact O-N 3.16Å; G578-Y581 WeakPolarHBondContact O-CB 3.17Å; G578-Y581 PolarHBondContact O-N 3.03Å; M579-Y581 VanDerWaalsContact C-N 3.3Å; M579-Y581 PolarHBondContact O-N 3.08Å; Y581-A584 PolarHBondContact O-N 3.46Å; Y581-K585 HydrophobicContact CD1-CG 4.46Å; Y581-K585 HydrophobicContact CE1-CG 4.01Å; Y581-K585 WeakPolarHBondContact O-CG 3.33Å; Y581-K585 PolarHBondContact O-N 3.03Å; Y581-K585 VanDerWaalsContact O-N 3.14Å; Y581-K585 WeakPolarHBondContact OH-CE 3.22Å
582	L	93.8	Very high	94	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.7	-45.4	177.9	-69.9	177.7	0	0	0	111.4	T523 I528 G578 M579 D580 A584 K585 S586 I587 F610	T523-L582 HydrophobicContact CG2-CD2 3.96Å; I528-L582 HydrophobicContact CD1-CD1 3.88Å; I528-L582 HydrophobicContact CD1-CD2 4.1Å; I528-L582 HydrophobicContact CD1-CG 3.8Å; G578-L582 PolarHBondContact O-N 2.91Å; G578-L582 VanDerWaalsContact O-N 3.13Å; M579-L582 PolarHBondContact O-N 3.48Å; M579-L582 HydrophobicContact SD-CD1 4.03Å; D580-L582 PolarHBondContact O-N 3.45Å; L582-A584 PolarHBondContact O-N 3.24Å; L582-K585 CarbonylContact O-C 3.36Å; L582-K585 WeakPolarHBondContact O-CA 3.4Å; L582-K585 WeakPolarHBondContact O-CB 3.16Å; L582-K585 PolarHBondContact O-N 2.92Å; L582-S586 PolarHBondContact O-N 3.36Å; L582-I587 CarbonylContact C-O 3.58Å; L582-I587 HydrophobicContact CB-CB 4.21Å; L582-I587 HydrophobicContact CD2-CB 4.29Å; L582-I587 HydrophobicContact CD2-CD1 3.98Å; L582-I587 HydrophobicContact CD2-CG2 4.23Å; L582-I587 WeakPolarHBondContact O-CB 3.34Å; L582-I587 PolarHBondContact O-N 3.04Å; L582-F610 HydrophobicContact CD1-CB 4.07Å; L582-F610 HydrophobicContact CD1-CD2 4.35Å; L582-F610 HydrophobicContact CD1-CG 4.09Å; L582-F610 HydrophobicContact CD2-CD2 3.85Å; L582-F610 HydrophobicContact CD2-CE2 3.98Å; L582-F610 HydrophobicContact CD2-CG 4.36Å
583	H	94.1	Very high	93.8	Very high	18 Å²	18	31 Å²	31	8%	0.083	17%	0.165	C	C	.	.	H	α-helix	trans	-67.9	-36	-179.8	-72.7	-160.3	0	0	0	111.9	M579 D580 K585 S586 I587 F650 D653 F722	M579-H583 PolarHBondContact O-N 2.88Å; D580-H583 PolarHBondContact O-N 2.93Å; H583-K585 PolarHBondContact O-N 3.48Å; H583-S586 WeakPolarHBondContact O-CA 3.38Å; H583-S586 PolarHBondContact O-N 3.06Å; H583-I587 PolarHBondContact CD2-O 2.66Å; H583-I587 VanDerWaalsContact CD2-O 3.25Å; H583-F650 HydrophobicContact CB-CD1 4.07Å; H583-F650 HydrophobicContact CB-CE1 4.11Å; H583-F650 AromaticContact CD2-CD1 3.63Å; H583-F650 VanDerWaalsContact CE1-CA 3.44Å; H583-F650 WeakPolarHBondContact CE1-CA 3.49Å; H583-F650 AromaticContact CE1-CD1 3.62Å; H583-F650 AromaticContact CE1-CG 3.9Å; H583-F650 PolarHBondContact CE1-O 3.34Å; H583-F650 AromaticContact CG-CD1 3.47Å; H583-F650 VanDerWaalsContact CG-CD1 3.47Å; H583-F650 AromaticContact CG-CE1 3.94Å; H583-F650 WeakPolarHBondContact ND1-CB 3.48Å; H583-F650 AromaticContact ND1-CD1 3.46Å; H583-F650 WeakPolarHBondContact ND1-CD1 3.29Å; H583-F650 AromaticContact ND1-CG 3.59Å; H583-F650 AromaticContact NE2-CD1 3.71Å; H583-D653 IonicContact CD2-OD2 3.51Å; H583-D653 IonicContact CE1-OD2 2.84Å; H583-D653 IonicContact NE2-OD2 3.52Å; H583-D653 PolarHBondContact NE2-OD2 3.22Å; H583-F722 AromaticContact CE1-CD2 3.5Å; H583-F722 VanDerWaalsContact CE1-CD2 3.5Å; H583-F722 WeakPolarHBondContact CE1-CD2 3.33Å; H583-F722 AromaticContact CE1-CE2 3.53Å; H583-F722 AromaticContact ND1-CD2 3.43Å; H583-F722 WeakPolarHBondContact ND1-CD2 3.47Å; H583-F722 AromaticContact ND1-CE2 3.98Å
584	A	92.8	Very high	93.7	Very high	81 Å²	81	28.4 Å²	28.4	67%	0.669	16%	0.155	S	C	*	.	H	α-helix	trans	-65.4	-20.9	170.7	0	0	0	0	0	113.6	D580 Y581 L582	D580-A584 VanDerWaalsContact O-CB 3.24Å; D580-A584 WeakPolarHBondContact O-CB 3.38Å; D580-A584 PolarHBondContact O-N 2.8Å; Y581-A584 PolarHBondContact O-N 3.46Å; L582-A584 PolarHBondContact O-N 3.24Å
585	K	89.6	Confident	93.4	Very high	110 Å²	110	30 Å²	30	48%	0.478	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	4	167.9	-65.5	-65.1	-173.7	-177.8	0	113.5	Y581 L582 H583 I587	Y581-K585 HydrophobicContact CD1-CG 4.46Å; Y581-K585 HydrophobicContact CE1-CG 4.01Å; Y581-K585 WeakPolarHBondContact O-CG 3.33Å; Y581-K585 PolarHBondContact O-N 3.03Å; Y581-K585 VanDerWaalsContact O-N 3.14Å; Y581-K585 WeakPolarHBondContact OH-CE 3.22Å; L582-K585 CarbonylContact O-C 3.36Å; L582-K585 WeakPolarHBondContact O-CA 3.4Å; L582-K585 WeakPolarHBondContact O-CB 3.16Å; L582-K585 PolarHBondContact O-N 2.92Å; H583-K585 PolarHBondContact O-N 3.48Å; K585-I587 VanDerWaalsContact C-N 3.26Å; K585-I587 HydrophobicContact CB-CD1 3.74Å; K585-I587 HydrophobicContact CB-CG1 3.92Å; K585-I587 PolarHBondContact O-N 3.48Å
586	S	89.3	Confident	93.1	Very high	97 Å²	97	30.5 Å²	30.5	68%	0.678	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	32.1	-172.4	-52	0	0	0	0	114.4	L582 H583	L582-S586 PolarHBondContact O-N 3.36Å; H583-S586 WeakPolarHBondContact O-CA 3.38Å; H583-S586 PolarHBondContact O-N 3.06Å
587	I	87.8	Confident	93	Very high	15 Å²	15	30.5 Å²	30.5	8%	0.077	17%	0.167	C	C	.	.			trans	-98.6	126.9	175.7	-55.6	168.9	0	0	0	108.7	V519 T523 L582 H583 K585 F610	V519-I587 HydrophobicContact CG1-CD1 3.57Å; V519-I587 HydrophobicContact CG1-CG1 3.65Å; V519-I587 HydrophobicContact CG1-CG2 4.18Å; T523-I587 HydrophobicContact CG2-CD1 3.57Å; L582-I587 CarbonylContact C-O 3.58Å; L582-I587 HydrophobicContact CB-CB 4.21Å; L582-I587 HydrophobicContact CD2-CB 4.29Å; L582-I587 HydrophobicContact CD2-CD1 3.98Å; L582-I587 HydrophobicContact CD2-CG2 4.23Å; L582-I587 WeakPolarHBondContact O-CB 3.34Å; L582-I587 PolarHBondContact O-N 3.04Å; H583-I587 PolarHBondContact CD2-O 2.66Å; H583-I587 VanDerWaalsContact CD2-O 3.25Å; K585-I587 VanDerWaalsContact C-N 3.26Å; K585-I587 HydrophobicContact CB-CD1 3.74Å; K585-I587 HydrophobicContact CB-CG1 3.92Å; K585-I587 PolarHBondContact O-N 3.48Å; I587-F610 HydrophobicContact CG2-CD2 4.46Å
588	I	89.1	Confident	92.8	Very high	45 Å²	45	31.8 Å²	31.8	23%	0.231	17%	0.172	C	C	.	.			trans	-99	130.4	170.6	-55.4	167.4	0	0	0	107.2	R590 F650 D653	I588-R590 HydrophobicContact CB-CG 4.29Å; I588-R590 HydrophobicContact CG2-CG 3.74Å; I588-F650 HydrophobicContact CG1-CD1 3.84Å; I588-F650 HydrophobicContact CG1-CE1 3.85Å; I588-D653 WeakPolarHBondContact CA-OD2 3.47Å; I588-D653 WeakPolarHBondContact CG2-OD1 3.25Å; I588-D653 WeakPolarHBondContact CG2-OD2 3.33Å
589	H	90.8	Very high	92.7	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.			trans	-74.8	-39.4	-177.2	-173.2	-26	0	0	0	112.1	M579 D591 L592 I607 G608 F610 D653	M579-H589 HydrophobicContact CE-CB 3.89Å; M579-H589 HydrophobicContact SD-CB 4.26Å; H589-D591 PolarHBondContact CE1-O 2.87Å; H589-D591 VanDerWaalsContact CE1-O 3.26Å; H589-D591 PolarHBondContact O-N 3.32Å; H589-L592 HydrophobicContact CB-CB 4.39Å; H589-I607 VanDerWaalsContact NE2-CG2 3.3Å; H589-I607 WeakPolarHBondContact NE2-CG2 3.47Å; H589-G608 PolarHBondContact CE1-O 3.23Å; H589-G608 PolarHBondContact NE2-O 2.8Å; H589-F610 HydrophobicContact CB-CB 4.24Å; H589-F610 WeakPolarHBondContact ND1-CA 3.32Å; H589-D653 PolarHBondContact N-OD1 2.92Å; H589-D653 PolarHBondContact N-OD2 3.31Å
590	R	87.3	Confident	92.2	Very high	50 Å²	50	33.7 Å²	33.7	19%	0.189	18%	0.181	C	C	.	.	S	Bend	trans	64.9	-20.5	178	-55.9	179.4	165.1	-127.3	2.4	117.1	I588 A613 E626 Y648 D653	I588-R590 HydrophobicContact CB-CG 4.29Å; I588-R590 HydrophobicContact CG2-CG 3.74Å; R590-A613 HydrophobicContact CB-CB 3.51Å; R590-A613 HydrophobicContact CG-CB 4.25Å; R590-E626 IonicContact CZ-OE1 3.3Å; R590-E626 IonicContact NH1-OE1 2.71Å; R590-E626 PolarHBondContact NH1-OE1 3.48Å; R590-Y648 HydrophobicContact CB-CD1 3.62Å; R590-Y648 HydrophobicContact CB-CE1 3.81Å; R590-Y648 HydrophobicContact CB-CG 4.37Å; R590-Y648 HydrophobicContact CG-CD1 3.63Å; R590-Y648 HydrophobicContact CG-CE1 4.29Å; R590-Y648 HydrophobicContact CG-CG 3.93Å; R590-Y648 VanDerWaalsContact NH1-CD2 3.33Å; R590-Y648 WeakPolarHBondContact O-CE1 2.9Å; R590-D653 PolarHBondContact N-OD1 3.27Å
591	D	86.6	Confident	91.4	Very high	27 Å²	27	37.2 Å²	37.2	14%	0.144	20%	0.196	C	C	.	.			trans	-135.5	42.2	178.7	-168.8	45.8	0	0	0	110.6	H589 K593 N596	H589-D591 PolarHBondContact CE1-O 2.87Å; H589-D591 VanDerWaalsContact CE1-O 3.26Å; H589-D591 PolarHBondContact O-N 3.32Å; D591-K593 PolarHBondContact O-N 2.85Å; D591-K593 IonicContact OD1-NZ 2.74Å; D591-K593 PolarHBondContact OD1-NZ 2.84Å; D591-K593 WeakPolarHBondContact OD2-CE 3.49Å; D591-K593 IonicContact OD2-NZ 2.77Å; D591-K593 PolarHBondContact OD2-NZ 2.74Å; D591-N596 PolarHBondContact O-ND2 3.18Å; D591-N596 PolarHBondContact OD2-ND2 2.94Å
592	L	94	Very high	90	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	23%	0.229	C	C	.	.			trans	-71	123	175.1	178	65.8	0	0	0	109.6	M579 H589 I597 I607 A656 F657	M579-L592 HydrophobicContact CE-CD2 4.13Å; M579-L592 HydrophobicContact CG-CD1 4.49Å; M579-L592 HydrophobicContact CG-CD2 3.95Å; M579-L592 HydrophobicContact SD-CD1 3.98Å; M579-L592 HydrophobicContact SD-CD2 3.87Å; M579-L592 HydrophobicContact SD-CG 4.43Å; H589-L592 HydrophobicContact CB-CB 4.39Å; L592-I597 HydrophobicContact CD1-CD1 4.01Å; L592-I597 HydrophobicContact CD1-CG1 4.14Å; L592-I607 HydrophobicContact CD1-CG2 4.26Å; L592-A656 HydrophobicContact CB-CB 4.09Å; L592-A656 WeakPolarHBondContact O-CB 3.44Å; L592-F657 HydrophobicContact CD2-CB 3.78Å
593	K	93.9	Very high	89.5	Confident	19 Å²	19	44.9 Å²	44.9	8%	0.083	24%	0.24	C	C	.	.	S	Bend	trans	-163.6	162.8	179	60.4	-166.4	176.4	-151.6	0	110.6	D591 N595 N596 I597 S631 W634	D591-K593 PolarHBondContact O-N 2.85Å; D591-K593 IonicContact OD1-NZ 2.74Å; D591-K593 PolarHBondContact OD1-NZ 2.84Å; D591-K593 WeakPolarHBondContact OD2-CE 3.49Å; D591-K593 IonicContact OD2-NZ 2.77Å; D591-K593 PolarHBondContact OD2-NZ 2.74Å; K593-N595 HydrophobicContact CD-CB 4.38Å; K593-N595 HydrophobicContact CG-CB 4.11Å; K593-N595 PolarHBondContact O-N 3.4Å; K593-N595 VanDerWaalsContact O-N 3.11Å; K593-N596 WeakPolarHBondContact CE-ND2 3.43Å; K593-N596 WeakPolarHBondContact CE-OD1 3.31Å; K593-N596 HydrophobicContact CG-CB 4.22Å; K593-N596 PolarHBondContact O-N 3.38Å; K593-I597 WeakPolarHBondContact O-CG1 3.39Å; K593-I597 PolarHBondContact O-N 2.78Å; K593-S631 WeakPolarHBondContact CD-OG 3.21Å; K593-S631 PolarHBondContact NZ-OG 3.34Å; K593-W634 HydrophobicContact CB-CB 4.46Å; K593-W634 HydrophobicContact CB-CD2 3.52Å; K593-W634 HydrophobicContact CB-CE3 4.07Å; K593-W634 HydrophobicContact CB-CG 3.68Å; K593-W634 HydrophobicContact CB-CZ2 4.16Å; K593-W634 HydrophobicContact CD-CE3 4.44Å
594	S	95.7	Very high	89.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.5	-179.9	59.7	0	0	0	0	114.5	L552 Y553 N596 E663	L552-S594 PolarHBondContact N-O 3.12Å; Y553-S594 WeakPolarHBondContact CB-OG 3.35Å; Y553-S594 WeakPolarHBondContact CD2-OG 3.42Å; Y553-S594 PolarHBondContact N-O 3.12Å; S594-N596 VanDerWaalsContact C-N 3.34Å; S594-E663 WeakPolarHBondContact CB-OE1 3.28Å; S594-E663 PolarHBondContact OG-OE1 3.2Å; S594-E663 PolarHBondContact OG-OE2 3.42Å
595	N	92.1	Very high	89.7	Confident	51 Å²	51	42 Å²	42	27%	0.273	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-31.2	171.1	-50.2	93.5	0	0	0	113	S551 Y553 K593	S551-N595 WeakPolarHBondContact CB-O 3.47Å; Y553-N595 WeakPolarHBondContact CB-ND2 3.37Å; Y553-N595 VanDerWaalsContact CD2-ND2 3.28Å; Y553-N595 WeakPolarHBondContact CD2-ND2 3.37Å; K593-N595 HydrophobicContact CD-CB 4.38Å; K593-N595 HydrophobicContact CG-CB 4.11Å; K593-N595 PolarHBondContact O-N 3.4Å; K593-N595 VanDerWaalsContact O-N 3.11Å
596	N	92.7	Very high	89.9	Confident	11 Å²	11	37.9 Å²	37.9	6%	0.059	20%	0.198	C	C	.	.	S	Bend	trans	-96.4	1.4	-175.5	-65	0.7	0	0	0	112.1	D591 K593 S594 G608	D591-N596 PolarHBondContact O-ND2 3.18Å; D591-N596 PolarHBondContact OD2-ND2 2.94Å; K593-N596 WeakPolarHBondContact CE-ND2 3.43Å; K593-N596 WeakPolarHBondContact CE-OD1 3.31Å; K593-N596 HydrophobicContact CG-CB 4.22Å; K593-N596 PolarHBondContact O-N 3.38Å; S594-N596 VanDerWaalsContact C-N 3.34Å; N596-G608 PolarHBondContact O-N 3.03Å
597	I	96.3	Very high	90.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	115.2	174.8	-62.7	169.1	0	0	0	106.9	S551 L552 T575 L592 K593 V605 V660	S551-I597 CarbonylContact C-O 3.56Å; S551-I597 WeakPolarHBondContact CA-O 3.33Å; L552-I597 HydrophobicContact CB-CB 4.18Å; L552-I597 HydrophobicContact CB-CG2 4.08Å; L552-I597 HydrophobicContact CD2-CB 4.47Å; L552-I597 HydrophobicContact CD2-CD1 4.4Å; L552-I597 HydrophobicContact CD2-CG2 4.08Å; L552-I597 PolarHBondContact N-O 3.22Å; T575-I597 HydrophobicContact CG2-CD1 3.81Å; L592-I597 HydrophobicContact CD1-CD1 4.01Å; L592-I597 HydrophobicContact CD1-CG1 4.14Å; K593-I597 WeakPolarHBondContact O-CG1 3.39Å; K593-I597 PolarHBondContact O-N 2.78Å; I597-V605 HydrophobicContact CG2-CG1 3.76Å; I597-V660 HydrophobicContact CD1-CB 4.48Å; I597-V660 HydrophobicContact CD1-CG1 3.76Å; I597-V660 HydrophobicContact CD1-CG2 3.96Å
598	F	94.6	Very high	90.3	Very high	58 Å²	58	32.6 Å²	32.6	25%	0.254	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	141.9	179.9	-58.3	-92.8	0	0	0	110.7	V605 K606	F598-V605 CarbonylContact O-C 3.53Å; F598-V605 WeakPolarHBondContact O-CA 3.29Å; F598-K606 HydrophobicContact CB-CB 4.29Å; F598-K606 PolarHBondContact N-O 3.19Å; F598-K606 PolarHBondContact O-N 3.5Å
599	L	94.3	Very high	89.8	Confident	4 Å²	4	33.1 Å²	33.1	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	93.9	170.8	-59	-175.1	0	0	0	107.7	G549 S550 L552 H555 F563 I571 L603 V605	G549-L599 CarbonylContact C-O 3.44Å; G549-L599 VanDerWaalsContact CA-O 3.31Å; G549-L599 WeakPolarHBondContact CA-O 3.3Å; S550-L599 PolarHBondContact O-N 3.18Å; L552-L599 HydrophobicContact CD1-CD1 4.14Å; H555-L599 HydrophobicContact CB-CD1 4.47Å; F563-L599 HydrophobicContact CE1-CD1 4.43Å; F563-L599 HydrophobicContact CE2-CD1 4.28Å; F563-L599 HydrophobicContact CZ-CD1 3.66Å; I571-L599 HydrophobicContact CD1-CD1 4.06Å; I571-L599 HydrophobicContact CD1-CD2 4.15Å; I571-L599 HydrophobicContact CG1-CD2 4.1Å; I571-L599 HydrophobicContact CG2-CD2 4.23Å; L599-L603 HydrophobicContact CB-CD2 4.43Å; L599-L603 HydrophobicContact CD1-CD2 4.26Å; L599-V605 HydrophobicContact CD2-CG2 3.91Å
600	H	88	Confident	88.9	Confident	36 Å²	36	33.4 Å²	33.4	17%	0.167	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-174.6	173.7	-173.2	35.6	0	0	0	110	Q545 L603 T604 K606	Q545-H600 PolarHBondContact NE2-NE2 2.84Å; H600-L603 WeakPolarHBondContact O-CA 3.28Å; H600-L603 PolarHBondContact O-N 2.96Å; H600-T604 WeakPolarHBondContact CB-O 3.46Å; H600-T604 PolarHBondContact N-O 3.05Å; H600-T604 PolarHBondContact O-N 2.68Å; H600-K606 HydrophobicContact CB-CG 3.89Å
601	E	79.3	Confident	87.5	Confident	113 Å²	113	31.5 Å²	31.5	53%	0.528	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-47.6	142	-174.6	-73.4	142.1	-128.4	0	0	113.2	L603 T604	E601-L603 PolarHBondContact O-N 3.04Å; E601-L603 VanDerWaalsContact O-N 3.16Å; E601-T604 VanDerWaalsContact O-CB 3.24Å; E601-T604 WeakPolarHBondContact O-CB 3.41Å; E601-T604 PolarHBondContact O-N 3.05Å; E601-T604 PolarHBondContact O-OG1 3.28Å
602	D	68.6	Low	86.1	Confident	160 Å²	160	30.8 Å²	30.8	86%	0.856	16%	0.158	S	C	*	.	G	3₁₀ helix	trans	54.1	23.1	-171	-63.6	-36.9	0	0	0	116.3	T604	D602-T604 VanDerWaalsContact C-N 3.32Å
603	L	82.9	Confident	84.2	Confident	46 Å²	46	31.4 Å²	31.4	24%	0.241	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	65.1	33.5	-172.5	-51	171.8	0	0	0	112.6	F563 K567 Q574 L599 H600 E601 V605	F563-L603 HydrophobicContact CD1-CD1 4.47Å; F563-L603 HydrophobicContact CE1-CD1 4.16Å; F563-L603 HydrophobicContact CE1-CD2 4.03Å; K567-L603 HydrophobicContact CD-CD1 4.04Å; Q574-L603 PolarHBondContact NE2-O 3.18Å; L599-L603 HydrophobicContact CB-CD2 4.43Å; L599-L603 HydrophobicContact CD1-CD2 4.26Å; H600-L603 WeakPolarHBondContact O-CA 3.28Å; H600-L603 PolarHBondContact O-N 2.96Å; E601-L603 PolarHBondContact O-N 3.04Å; E601-L603 VanDerWaalsContact O-N 3.16Å; L603-V605 PolarHBondContact O-N 3.12Å
604	T	93.4	Very high	82.1	Confident	39 Å²	39	32.1 Å²	32.1	24%	0.239	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	114.3	170.4	-58.3	0	0	0	0	109.7	V526 H600 E601 D602	V526-T604 HydrophobicContact CG2-CG2 4.25Å; H600-T604 WeakPolarHBondContact CB-O 3.46Å; H600-T604 PolarHBondContact N-O 3.05Å; H600-T604 PolarHBondContact O-N 2.68Å; E601-T604 VanDerWaalsContact O-CB 3.24Å; E601-T604 WeakPolarHBondContact O-CB 3.41Å; E601-T604 PolarHBondContact O-N 3.05Å; E601-T604 PolarHBondContact O-OG1 3.28Å; D602-T604 VanDerWaalsContact C-N 3.32Å
605	V	97.1	Very high	80	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	135.7	177.5	172.1	0	0	0	0	110.4	N527 I571 Q574 I597 F598 L599 L603 I607	N527-V605 WeakPolarHBondContact CA-O 3.46Å; N527-V605 PolarHBondContact ND2-O 2.94Å; I571-V605 HydrophobicContact CB-CG2 4.31Å; I571-V605 HydrophobicContact CG1-CG2 4.39Å; I571-V605 HydrophobicContact CG2-CG2 3.96Å; Q574-V605 HydrophobicContact CB-CB 3.74Å; Q574-V605 HydrophobicContact CB-CG2 3.7Å; Q574-V605 HydrophobicContact CG-CG2 4.49Å; I597-V605 HydrophobicContact CG2-CG1 3.76Å; F598-V605 CarbonylContact O-C 3.53Å; F598-V605 WeakPolarHBondContact O-CA 3.29Å; L599-V605 HydrophobicContact CD2-CG2 3.91Å; L603-V605 PolarHBondContact O-N 3.12Å; V605-I607 HydrophobicContact CG1-CG1 4.34Å
606	K	95.3	Very high	78	Confident	23 Å²	23	31.6 Å²	31.6	10%	0.1	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	117.4	170.4	-64	-69.5	-174.7	167.8	0	110	V526 L529 F598 H600	V526-K606 WeakPolarHBondContact O-CD 3.4Å; V526-K606 WeakPolarHBondContact O-CE 3.29Å; V526-K606 PolarHBondContact O-NZ 2.78Å; L529-K606 HydrophobicContact CD1-CB 4.19Å; F598-K606 HydrophobicContact CB-CB 4.29Å; F598-K606 PolarHBondContact N-O 3.19Å; F598-K606 PolarHBondContact O-N 3.5Å; H600-K606 HydrophobicContact CB-CG 3.89Å
607	I	95	Very high	76	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	120	174	-53.2	178.5	0	0	0	109.2	N527 I528 L529 T575 M579 H589 L592 V605	N527-I607 PolarHBondContact O-N 3.45Å; I528-I607 HydrophobicContact CD1-CB 4.03Å; I528-I607 HydrophobicContact CD1-CD1 4.43Å; L529-I607 VanDerWaalsContact CB-O 3.29Å; L529-I607 WeakPolarHBondContact CB-O 3.41Å; L529-I607 PolarHBondContact N-O 3.06Å; T575-I607 HydrophobicContact CG2-CD1 4.11Å; T575-I607 WeakPolarHBondContact O-CD1 3.34Å; M579-I607 HydrophobicContact CG-CD1 3.82Å; M579-I607 HydrophobicContact SD-CD1 3.96Å; H589-I607 VanDerWaalsContact NE2-CG2 3.3Å; H589-I607 WeakPolarHBondContact NE2-CG2 3.47Å; L592-I607 HydrophobicContact CD1-CG2 4.26Å; V605-I607 HydrophobicContact CG1-CG1 4.34Å
608	G	89	Confident	73.7	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.01	20%	0.199	C	C	.	.			trans	-112	-179.8	177.6	0	0	0	0	0	113.2	H589 N596 F610	H589-G608 PolarHBondContact CE1-O 3.23Å; H589-G608 PolarHBondContact NE2-O 2.8Å; N596-G608 PolarHBondContact O-N 3.03Å; G608-F610 PolarHBondContact O-N 3.01Å
609	D	79.5	Confident	71.6	Confident	55 Å²	55	38.6 Å²	38.6	29%	0.294	19%	0.194	S	C	.	.	S	Bend	trans	54.6	11	174.9	-83.8	-4.5	0	0	0	117.8	K498 L612	K498-D609 IonicContact NZ-OD1 2.69Å; K498-D609 PolarHBondContact NZ-OD1 3.23Å; K498-D609 IonicContact NZ-OD2 2.78Å; K498-D609 PolarHBondContact NZ-OD2 3.48Å; D609-L612 WeakPolarHBondContact OD1-CD1 3.39Å
610	F	70.9	Confident	69.5	Low	7 Å²	7	42.8 Å²	42.8	3%	0.031	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	148.1	168.9	62.6	-85	0	0	0	112	L520 T523 I528 L582 I587 H589 G608 L612	L520-F610 HydrophobicContact CD2-CD2 3.84Å; L520-F610 HydrophobicContact CD2-CE2 3.37Å; L520-F610 HydrophobicContact CD2-CZ 3.81Å; T523-F610 HydrophobicContact CG2-CE2 3.76Å; T523-F610 HydrophobicContact CG2-CZ 4.25Å; I528-F610 HydrophobicContact CG2-CD1 4.45Å; I528-F610 HydrophobicContact CG2-CE1 3.46Å; I528-F610 VanDerWaalsContact CG2-CE1 3.46Å; I528-F610 HydrophobicContact CG2-CE2 4.4Å; I528-F610 HydrophobicContact CG2-CZ 3.42Å; I528-F610 VanDerWaalsContact CG2-CZ 3.42Å; L582-F610 HydrophobicContact CD1-CB 4.07Å; L582-F610 HydrophobicContact CD1-CD2 4.35Å; L582-F610 HydrophobicContact CD1-CG 4.09Å; L582-F610 HydrophobicContact CD2-CD2 3.85Å; L582-F610 HydrophobicContact CD2-CE2 3.98Å; L582-F610 HydrophobicContact CD2-CG 4.36Å; I587-F610 HydrophobicContact CG2-CD2 4.46Å; H589-F610 HydrophobicContact CB-CB 4.24Å; H589-F610 WeakPolarHBondContact ND1-CA 3.32Å; G608-F610 PolarHBondContact O-N 3.01Å; F610-L612 PolarHBondContact O-N 3.2Å; F610-L612 VanDerWaalsContact O-N 3.17Å
611	G	58.4	Low	67	Low	10 Å²	10	43 Å²	43	10%	0.103	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	-30.5	178.7	0	0	0	0	0	115.4	E516 A613 T614	E516-G611 VanDerWaalsContact CD-O 3.29Å; G611-A613 PolarHBondContact O-N 2.95Å; G611-T614 PolarHBondContact O-N 3.04Å; G611-T614 PolarHBondContact O-OG1 2.94Å
612	L	58.1	Low	64.8	Low	11 Å²	11	43.2 Å²	43.2	6%	0.058	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-9.7	-174.8	-56.9	-179.5	0	0	0	114.9	F483 K498 E516 I542 D609 F610 V615 K616	F483-L612 WeakPolarHBondContact CE1-O 3.39Å; K498-L612 HydrophobicContact CD-CD1 4.31Å; E516-L612 WeakPolarHBondContact OE2-CA 3.45Å; I542-L612 HydrophobicContact CD1-CD2 3.55Å; D609-L612 WeakPolarHBondContact OD1-CD1 3.39Å; F610-L612 PolarHBondContact O-N 3.2Å; F610-L612 VanDerWaalsContact O-N 3.17Å; L612-V615 VanDerWaalsContact O-CB 3.23Å; L612-V615 WeakPolarHBondContact O-CB 3.32Å; L612-V615 VanDerWaalsContact O-CG1 3.26Å; L612-V615 WeakPolarHBondContact O-CG1 3.1Å; L612-V615 PolarHBondContact O-N 3.05Å; L612-K616 PolarHBondContact O-N 2.62Å
613	A	52.2	Low	63.4	Low	16 Å²	16	42.3 Å²	42.3	13%	0.132	24%	0.241	C	C	.	.	H	α-helix	trans	-72.9	-26.6	-179.3	0	0	0	0	0	113.7	R590 G611 V615 K616	R590-A613 HydrophobicContact CB-CB 3.51Å; R590-A613 HydrophobicContact CG-CB 4.25Å; G611-A613 PolarHBondContact O-N 2.95Å; A613-V615 VanDerWaalsContact C-N 3.28Å; A613-V615 PolarHBondContact O-N 3.12Å; A613-K616 VanDerWaalsContact O-CB 3.3Å; A613-K616 WeakPolarHBondContact O-CB 3.3Å; A613-K616 PolarHBondContact O-N 2.87Å; A613-K616 VanDerWaalsContact O-N 3.16Å
614	T	51	Low	61.4	Low	33 Å²	33	49.2 Å²	49.2	20%	0.202	27%	0.272	C	S	.	.	H	α-helix	trans	-66.7	-34	172.7	23.5	0	0	0	0	111.7	E516 G611 K616 R618	E516-T614 VanDerWaalsContact OE1-CB 3.24Å; E516-T614 WeakPolarHBondContact OE1-CB 3.13Å; E516-T614 PolarHBondContact OE1-OG1 2.99Å; G611-T614 PolarHBondContact O-N 3.04Å; G611-T614 PolarHBondContact O-OG1 2.94Å; T614-K616 VanDerWaalsContact C-N 3.28Å; T614-K616 PolarHBondContact O-N 3.38Å; T614-R618 WeakPolarHBondContact O-CB 2.92Å; T614-R618 WeakPolarHBondContact O-CG 3.22Å; T614-R618 PolarHBondContact O-N 3.2Å
615	V	50.4	Low	58.9	Low	2 Å²	2	55.6 Å²	55.6	1%	0.012	30%	0.296	C	S	.	.	H	α-helix	trans	-57.9	-39.6	169.8	127.5	0	0	0	0	111.2	F483 E516 L612 A613 S617 R618 W619	F483-V615 HydrophobicContact CD1-CG1 4.03Å; F483-V615 HydrophobicContact CE1-CG1 4.2Å; E516-V615 VanDerWaalsContact CD-CG2 3.48Å; E516-V615 WeakPolarHBondContact OE1-CB 3.27Å; E516-V615 WeakPolarHBondContact OE1-CG2 3.2Å; E516-V615 PolarHBondContact OE1-N 3.25Å; E516-V615 WeakPolarHBondContact OE2-CB 3.41Å; E516-V615 WeakPolarHBondContact OE2-CG2 3.49Å; L612-V615 VanDerWaalsContact O-CB 3.23Å; L612-V615 WeakPolarHBondContact O-CB 3.32Å; L612-V615 VanDerWaalsContact O-CG1 3.26Å; L612-V615 WeakPolarHBondContact O-CG1 3.1Å; L612-V615 PolarHBondContact O-N 3.05Å; A613-V615 VanDerWaalsContact C-N 3.28Å; A613-V615 PolarHBondContact O-N 3.12Å; V615-S617 PolarHBondContact O-N 2.96Å; V615-R618 PolarHBondContact O-N 3.25Å; V615-W619 HydrophobicContact CB-CD2 4.44Å; V615-W619 HydrophobicContact CB-CH2 4.41Å; V615-W619 HydrophobicContact CB-CZ2 4.04Å; V615-W619 HydrophobicContact CG1-CD2 3.68Å; V615-W619 HydrophobicContact CG1-CE3 3.67Å; V615-W619 HydrophobicContact CG1-CG 4.45Å; V615-W619 HydrophobicContact CG1-CH2 3.37Å; V615-W619 HydrophobicContact CG1-CZ2 3.45Å; V615-W619 VanDerWaalsContact CG1-CZ2 3.45Å; V615-W619 HydrophobicContact CG1-CZ3 3.51Å; V615-W619 HydrophobicContact CG2-CD2 4.39Å; V615-W619 HydrophobicContact CG2-CH2 4.18Å; V615-W619 HydrophobicContact CG2-CZ2 3.42Å; V615-W619 VanDerWaalsContact CG2-CZ2 3.42Å; V615-W619 WeakPolarHBondContact O-CB 3.46Å; V615-W619 VanDerWaalsContact O-CG 3.26Å; V615-W619 PolarHBondContact O-N 3.37Å
616	K	50.6	Low	56.8	Low	39 Å²	39	57.3 Å²	57.3	17%	0.17	30%	0.304	C	S	.	.	H	α-helix	trans	-57.5	-52.6	179.8	-143.2	179.1	-159.8	170.2	0	113	S482 F483 L612 A613 T614 R618 S629	S482-K616 VanDerWaalsContact OG-CE 3.22Å; S482-K616 WeakPolarHBondContact OG-CE 3.4Å; S482-K616 PolarHBondContact OG-NZ 2.92Å; F483-K616 HydrophobicContact CD1-CG 4.44Å; F483-K616 HydrophobicContact CE1-CB 3.57Å; F483-K616 HydrophobicContact CE1-CD 3.93Å; F483-K616 HydrophobicContact CE1-CG 3.6Å; F483-K616 HydrophobicContact CE2-CD 4.33Å; F483-K616 HydrophobicContact CZ-CB 3.95Å; F483-K616 HydrophobicContact CZ-CD 3.59Å; F483-K616 HydrophobicContact CZ-CG 3.84Å; L612-K616 PolarHBondContact O-N 2.62Å; A613-K616 VanDerWaalsContact O-CB 3.3Å; A613-K616 WeakPolarHBondContact O-CB 3.3Å; A613-K616 PolarHBondContact O-N 2.87Å; A613-K616 VanDerWaalsContact O-N 3.16Å; T614-K616 VanDerWaalsContact C-N 3.28Å; T614-K616 PolarHBondContact O-N 3.38Å; K616-R618 VanDerWaalsContact C-N 3.26Å; K616-R618 PolarHBondContact O-N 3.3Å; K616-S629 WeakPolarHBondContact CD-O 3.39Å; K616-S629 WeakPolarHBondContact CE-O 3.44Å; K616-S629 WeakPolarHBondContact CE-OG 3.44Å; K616-S629 PolarHBondContact NZ-O 3.16Å; K616-S629 PolarHBondContact NZ-OG 3.01Å
617	S	50.5	Low	54.5	Low	32 Å²	32	63.3 Å²	63.3	22%	0.224	33%	0.333	C	S	.	.	H	α-helix	trans	-66.8	-28.5	179.8	165.4	0	0	0	0	112.4	V615	V615-S617 PolarHBondContact O-N 2.96Å
618	R	48.7	Very low	52.6	Low	145 Å²	145	65.4 Å²	65.4	55%	0.547	34%	0.344	S	S	.	.	H	α-helix	trans	-91.7	-12.8	-175.4	-70.3	175.5	174.7	170.4	-1.5	114.7	T614 V615 K616	T614-R618 WeakPolarHBondContact O-CB 2.92Å; T614-R618 WeakPolarHBondContact O-CG 3.22Å; T614-R618 PolarHBondContact O-N 3.2Å; V615-R618 PolarHBondContact O-N 3.25Å; K616-R618 VanDerWaalsContact C-N 3.26Å; K616-R618 PolarHBondContact O-N 3.3Å
619	W	51.1	Low	50.6	Low	38 Å²	38	67.7 Å²	67.7	14%	0.144	36%	0.359	C	S	.	.	H	α-helix	trans	-90.7	-25.4	-178.3	-76	1.8	0	0	0	114.3	L500 V502 Q509 V615 G621	L500-W619 HydrophobicContact CB-CH2 3.96Å; L500-W619 HydrophobicContact CB-CZ3 4.32Å; L500-W619 HydrophobicContact CD1-CH2 3.48Å; L500-W619 VanDerWaalsContact CD1-CH2 3.48Å; L500-W619 HydrophobicContact CD1-CZ2 3.95Å; L500-W619 HydrophobicContact CD2-CH2 3.87Å; L500-W619 HydrophobicContact CD2-CZ3 4.38Å; L500-W619 HydrophobicContact CG-CH2 3.94Å; V502-W619 HydrophobicContact CG2-CD2 4.24Å; V502-W619 HydrophobicContact CG2-CE3 3.93Å; V502-W619 HydrophobicContact CG2-CZ3 4.14Å; Q509-W619 HydrophobicContact CG-CG 4.4Å; Q509-W619 PolarHBondContact NE2-O 3.14Å; Q509-W619 VanDerWaalsContact NE2-O 3.17Å; V615-W619 HydrophobicContact CB-CD2 4.44Å; V615-W619 HydrophobicContact CB-CH2 4.41Å; V615-W619 HydrophobicContact CB-CZ2 4.04Å; V615-W619 HydrophobicContact CG1-CD2 3.68Å; V615-W619 HydrophobicContact CG1-CE3 3.67Å; V615-W619 HydrophobicContact CG1-CG 4.45Å; V615-W619 HydrophobicContact CG1-CH2 3.37Å; V615-W619 HydrophobicContact CG1-CZ2 3.45Å; V615-W619 VanDerWaalsContact CG1-CZ2 3.45Å; V615-W619 HydrophobicContact CG1-CZ3 3.51Å; V615-W619 HydrophobicContact CG2-CD2 4.39Å; V615-W619 HydrophobicContact CG2-CH2 4.18Å; V615-W619 HydrophobicContact CG2-CZ2 3.42Å; V615-W619 VanDerWaalsContact CG2-CZ2 3.42Å; V615-W619 WeakPolarHBondContact O-CB 3.46Å; V615-W619 VanDerWaalsContact O-CG 3.26Å; V615-W619 PolarHBondContact O-N 3.37Å; W619-G621 PolarHBondContact O-N 3.14Å; W619-G621 VanDerWaalsContact O-N 3.15Å
620	S	49	Very low	49.7	Very low	92 Å²	92	66.3 Å²	66.3	64%	0.643	36%	0.358	S	S	*	.	S	Bend	trans	-67.3	-10.7	-177.3	-54.7	0	0	0	0	115.8
621	G	36.4	Very low	50	Low	42 Å²	42	67.8 Å²	67.8	43%	0.433	37%	0.37	S	S	.	.			trans	86.8	148.8	178.2	0	0	0	0	0	114.7	W619 H623	W619-G621 PolarHBondContact O-N 3.14Å; W619-G621 VanDerWaalsContact O-N 3.15Å; G621-H623 VanDerWaalsContact C-N 3.26Å; G621-H623 PolarHBondContact O-N 3.07Å
622	S	33.4	Very low	51.5	Low	117 Å²	117	68.2 Å²	68.2	82%	0.818	37%	0.369	S	S	*	.	S	Bend	trans	45.8	-35.3	170.1	47.1	0	0	0	0	121.8
623	H	38	Very low	53.2	Low	141 Å²	141	69.1 Å²	69.1	65%	0.653	37%	0.374	S	S	*	.			trans	-113.4	128.8	-175.2	-66.2	-90.1	0	0	0	112.8	G621 F625	G621-H623 VanDerWaalsContact C-N 3.26Å; G621-H623 PolarHBondContact O-N 3.07Å; H623-F625 PolarHBondContact O-N 3.45Å; H623-F625 VanDerWaalsContact O-N 3.08Å
624	Q	41.4	Very low	55.2	Low	191 Å²	191	69.2 Å²	69.2	89%	0.893	37%	0.371	S	S	*	.			trans	-76.7	18.9	176.5	-66.8	-171.5	1.5	0	0	114.2	E626	Q624-E626 PolarHBondContact O-N 3.18Å
625	F	41	Very low	57.2	Low	172 Å²	172	68.6 Å²	68.6	75%	0.754	37%	0.366	S	S	*	.			trans	-73.6	115.5	172.3	-99.4	-91.5	0	0	0	109.5	H623 Q627	H623-F625 PolarHBondContact O-N 3.45Å; H623-F625 VanDerWaalsContact O-N 3.08Å; F625-Q627 PolarHBondContact O-N 2.95Å
626	E	51.7	Low	59.4	Low	36 Å²	36	68.6 Å²	68.6	17%	0.168	37%	0.366	C	S	.	.			trans	-68.2	79.1	170.8	-69.9	-172.8	139.5	0	0	109.2	R590 Q624 L628 L642 P647 Y648	R590-E626 IonicContact CZ-OE1 3.3Å; R590-E626 IonicContact NH1-OE1 2.71Å; R590-E626 PolarHBondContact NH1-OE1 3.48Å; Q624-E626 PolarHBondContact O-N 3.18Å; E626-L628 PolarHBondContact O-N 2.9Å; E626-L642 HydrophobicContact CB-CD2 3.79Å; E626-L642 VanDerWaalsContact O-CD1 3.31Å; E626-L642 WeakPolarHBondContact O-CD1 3.25Å; E626-L642 WeakPolarHBondContact O-CD2 3.36Å; E626-P647 WeakPolarHBondContact OE2-CD 3.44Å; E626-Y648 WeakPolarHBondContact OE1-CD2 3.34Å; E626-Y648 WeakPolarHBondContact OE2-CD2 3.38Å; E626-Y648 VanDerWaalsContact OE2-CE2 3.28Å; E626-Y648 WeakPolarHBondContact OE2-CE2 3.41Å
627	Q	47.8	Very low	61.5	Low	149 Å²	149	66.9 Å²	66.9	70%	0.696	36%	0.359	S	S	*	.			trans	-49.4	135.2	175.3	-170.1	-171.7	30.8	0	0	110.1	F625 S629	F625-Q627 PolarHBondContact O-N 2.95Å; Q627-S629 PolarHBondContact O-N 3.38Å
628	L	54.6	Low	63.5	Low	44 Å²	44	65.7 Å²	65.7	23%	0.23	35%	0.35	C	S	.	.			trans	-70.7	54.6	-178.2	-66.4	176.6	0	0	0	113.4	E626 L642 R677 I681	E626-L628 PolarHBondContact O-N 2.9Å; L628-L642 HydrophobicContact CD1-CD1 4.28Å; L628-L642 HydrophobicContact CD2-CD1 3.67Å; L628-L642 HydrophobicContact CD2-CG 4.09Å; L628-L642 HydrophobicContact CG-CD1 3.69Å; L628-R677 PolarHBondContact O-NH2 3.46Å; L628-I681 HydrophobicContact CD1-CG2 4.33Å
629	S	48.1	Very low	65.5	Low	49 Å²	49	58.9 Å²	58.9	34%	0.343	33%	0.325	S	S	.	.			trans	-94.4	95.3	176.2	-176.5	0	0	0	0	109	K616 Q627	K616-S629 WeakPolarHBondContact CD-O 3.39Å; K616-S629 WeakPolarHBondContact CE-O 3.44Å; K616-S629 WeakPolarHBondContact CE-OG 3.44Å; K616-S629 PolarHBondContact NZ-O 3.16Å; K616-S629 PolarHBondContact NZ-OG 3.01Å; Q627-S629 PolarHBondContact O-N 3.38Å
630	G	59.8	Low	67.4	Low	26 Å²	26	57.7 Å²	57.7	27%	0.268	32%	0.321	S	S	.	.	S	Bend	trans	178.8	-178.3	177.2	0	0	0	0	0	112.7	I632	G630-I632 PolarHBondContact O-N 2.92Å; G630-I632 VanDerWaalsContact O-N 3.12Å
631	S	78	Confident	69.3	Low	39 Å²	39	57.9 Å²	57.9	27%	0.273	31%	0.307	S	S	.	.			trans	-80.7	92.2	-177.8	-57.7	0	0	0	0	109.8	K593 L633 W634	K593-S631 WeakPolarHBondContact CD-OG 3.21Å; K593-S631 PolarHBondContact NZ-OG 3.34Å; S631-L633 PolarHBondContact O-N 2.88Å; S631-W634 VanDerWaalsContact CB-CE3 3.49Å; S631-W634 PolarHBondContact O-N 2.92Å
632	I	88.6	Confident	71.5	Confident	18 Å²	18	58.4 Å²	58.4	9%	0.092	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-57.9	-27.3	-165.8	63	160.9	0	0	0	115.2	G630 W634 M635 R677 I680 I681	G630-I632 PolarHBondContact O-N 2.92Å; G630-I632 VanDerWaalsContact O-N 3.12Å; I632-W634 PolarHBondContact O-N 2.87Å; I632-W634 VanDerWaalsContact O-N 3.16Å; I632-M635 HydrophobicContact CG2-SD 4.21Å; I632-M635 WeakPolarHBondContact O-CB 3.42Å; I632-M635 PolarHBondContact O-N 3.41Å; I632-R677 HydrophobicContact CD1-CG 3.59Å; I632-R677 WeakPolarHBondContact CD1-O 3.42Å; I632-I680 HydrophobicContact CD1-CB 4.06Å; I632-I680 HydrophobicContact CD1-CG2 3.92Å; I632-I681 HydrophobicContact CB-CG1 4.39Å; I632-I681 HydrophobicContact CD1-CD1 4.37Å; I632-I681 HydrophobicContact CD1-CG1 3.78Å; I632-I681 HydrophobicContact CG2-CD1 4.04Å; I632-I681 HydrophobicContact CG2-CG1 4.03Å
633	L	94.1	Very high	73.9	Confident	31 Å²	31	59.8 Å²	59.8	16%	0.162	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-62	-25.4	-176.7	-54	177.9	0	0	0	113.1	S631 I659 L669 P670 Y671 I680	S631-L633 PolarHBondContact O-N 2.88Å; L633-I659 WeakPolarHBondContact O-CG1 3.42Å; L633-L669 HydrophobicContact CD1-CB 4.28Å; L633-L669 HydrophobicContact CD1-CD1 4.14Å; L633-L669 HydrophobicContact CD1-CD2 4.19Å; L633-L669 HydrophobicContact CD1-CG 4.44Å; L633-P670 HydrophobicContact CB-CG 3.96Å; L633-P670 HydrophobicContact CD2-CG 4.48Å; L633-Y671 HydrophobicContact CD2-CD2 3.78Å; L633-Y671 HydrophobicContact CD2-CE2 4.34Å; L633-I680 HydrophobicContact CD2-CD1 4.45Å
634	W	95.7	Very high	75.8	Confident	18 Å²	18	56 Å²	56	7%	0.068	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-98.7	-4.2	178.4	-61.9	-96.3	0	0	0	113.3	Y553 K593 S631 I632 A656 I659 E663 L669	Y553-W634 HydrophobicContact CD2-CH2 4.31Å; Y553-W634 HydrophobicContact CE2-CH2 4.24Å; K593-W634 HydrophobicContact CB-CB 4.46Å; K593-W634 HydrophobicContact CB-CD2 3.52Å; K593-W634 HydrophobicContact CB-CE3 4.07Å; K593-W634 HydrophobicContact CB-CG 3.68Å; K593-W634 HydrophobicContact CB-CZ2 4.16Å; K593-W634 HydrophobicContact CD-CE3 4.44Å; S631-W634 VanDerWaalsContact CB-CE3 3.49Å; S631-W634 PolarHBondContact O-N 2.92Å; I632-W634 PolarHBondContact O-N 2.87Å; I632-W634 VanDerWaalsContact O-N 3.16Å; W634-A656 HydrophobicContact CB-CB 4.19Å; W634-A656 WeakPolarHBondContact O-CB 3.43Å; W634-I659 VanDerWaalsContact CD1-CG2 3.48Å; W634-I659 HydrophobicContact CD2-CG2 4.39Å; W634-I659 HydrophobicContact CG-CB 4.33Å; W634-I659 HydrophobicContact CG-CG2 3.99Å; W634-E663 WeakPolarHBondContact CZ2-OE2 3.49Å; W634-E663 PolarHBondContact NE1-OE2 3.24Å; W634-L669 HydrophobicContact CH2-CD2 3.9Å; W634-L669 HydrophobicContact CZ2-CD2 3.93Å
635	M	93.3	Very high	77.4	Confident	20 Å²	20	56.5 Å²	56.5	10%	0.099	28%	0.278	C	S	.	.			trans	-77.6	129.9	-177.6	-68.4	-177.2	166.6	0	0	111.7	I632 V639 I640 Y655	I632-M635 HydrophobicContact CG2-SD 4.21Å; I632-M635 WeakPolarHBondContact O-CB 3.42Å; I632-M635 PolarHBondContact O-N 3.41Å; M635-V639 HydrophobicContact CB-CG1 4.46Å; M635-V639 HydrophobicContact CG-CG1 4.43Å; M635-I640 HydrophobicContact CB-CD1 4.03Å; M635-I640 HydrophobicContact CB-CG1 3.74Å; M635-Y655 WeakPolarHBondContact O-CE1 3.06Å
636	A	95.1	Very high	79.3	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.008	27%	0.269	C	S	.	.			trans	-68.2	150.4	175.4	0	0	0	0	0	111.6	E638 V639 I640 Y655	A636-E638 VanDerWaalsContact CB-CD 3.5Å; A636-E638 WeakPolarHBondContact CB-OE1 3.2Å; A636-E638 WeakPolarHBondContact CB-OE2 3.47Å; A636-E638 PolarHBondContact O-N 3.01Å; A636-E638 VanDerWaalsContact O-N 3.13Å; A636-V639 HydrophobicContact CB-CG2 4.23Å; A636-V639 WeakPolarHBondContact O-CA 3.36Å; A636-V639 WeakPolarHBondContact O-CB 3.19Å; A636-V639 PolarHBondContact O-N 2.77Å; A636-I640 PolarHBondContact O-N 3.42Å; A636-Y655 VanDerWaalsContact CA-CD1 3.45Å; A636-Y655 HydrophobicContact CB-CD1 3.87Å; A636-Y655 HydrophobicContact CB-CD2 4.47Å; A636-Y655 HydrophobicContact CB-CG 3.78Å
637	P	94.8	Very high	80.9	Confident	4 Å²	4	51.8 Å²	51.8	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-53.2	-36.1	-180	-29.8	36.4	0	0	0	114.5	I640 R641 Y655 V684	P637-I640 PolarHBondContact O-N 2.87Å; P637-R641 WeakPolarHBondContact O-CG 3.29Å; P637-R641 PolarHBondContact O-N 3.25Å; P637-R641 VanDerWaalsContact O-N 3.07Å; P637-R641 PolarHBondContact O-NH1 3.43Å; P637-Y655 HydrophobicContact CG-CE2 4.49Å; P637-V684 HydrophobicContact CG-CG1 4.05Å
638	E	93.6	Very high	82.8	Confident	6 Å²	6	46.5 Å²	46.5	3%	0.028	24%	0.235	C	C	.	.	H	α-helix	trans	-71.4	-28.7	175.5	71.3	-79.9	-171.6	0	0	114	A636 L642 P647 R719	A636-E638 VanDerWaalsContact CB-CD 3.5Å; A636-E638 WeakPolarHBondContact CB-OE1 3.2Å; A636-E638 WeakPolarHBondContact CB-OE2 3.47Å; A636-E638 PolarHBondContact O-N 3.01Å; A636-E638 VanDerWaalsContact O-N 3.13Å; E638-L642 PolarHBondContact O-N 2.86Å; E638-P647 VanDerWaalsContact O-CB 3.3Å; E638-P647 WeakPolarHBondContact O-CB 3.48Å; E638-R719 IonicContact OE1-CZ 3.99Å; E638-R719 IonicContact OE1-NH1 3.15Å; E638-R719 PolarHBondContact OE1-NH1 3.05Å; E638-R719 IonicContact OE1-NH2 3.34Å; E638-R719 IonicContact OE2-CZ 2.66Å; E638-R719 IonicContact OE2-NH1 2.74Å; E638-R719 IonicContact OE2-NH2 2.84Å; E638-R719 PolarHBondContact OE2-NH2 3.36Å
639	V	91.1	Very high	84.6	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.018	23%	0.231	C	C	.	.	H	α-helix	trans	-73.7	-37.6	173.2	176.1	0	0	0	0	110.6	M635 A636 P647 Y648	M635-V639 HydrophobicContact CB-CG1 4.46Å; M635-V639 HydrophobicContact CG-CG1 4.43Å; A636-V639 HydrophobicContact CB-CG2 4.23Å; A636-V639 WeakPolarHBondContact O-CA 3.36Å; A636-V639 WeakPolarHBondContact O-CB 3.19Å; A636-V639 PolarHBondContact O-N 2.77Å; V639-P647 HydrophobicContact CG2-CB 4.22Å; V639-Y648 HydrophobicContact CG1-CD1 4.37Å; V639-Y648 HydrophobicContact CG1-CE1 3.68Å; V639-Y648 HydrophobicContact CG1-CE2 4.13Å; V639-Y648 HydrophobicContact CG2-CD1 4.18Å; V639-Y648 HydrophobicContact CG2-CE1 4.27Å
640	I	90.5	Very high	86.9	Confident	12 Å²	12	45.9 Å²	45.9	6%	0.062	23%	0.227	C	C	.	.	H	α-helix	trans	-66.1	-40.7	174.8	-70.5	168.2	0	0	0	111.6	M635 A636 P637 I681 V684	M635-I640 HydrophobicContact CB-CD1 4.03Å; M635-I640 HydrophobicContact CB-CG1 3.74Å; A636-I640 PolarHBondContact O-N 3.42Å; P637-I640 PolarHBondContact O-N 2.87Å; I640-I681 HydrophobicContact CG2-CG2 3.78Å; I640-I681 WeakPolarHBondContact CG2-O 3.45Å; I640-V684 HydrophobicContact CD1-CB 3.89Å; I640-V684 HydrophobicContact CD1-CG1 3.63Å
641	R	88	Confident	88.6	Confident	96 Å²	96	47.1 Å²	47.1	36%	0.362	23%	0.226	S	C	.	.	H	α-helix	trans	-73.7	-23.6	-176.3	-75.9	-165.9	-54.2	-74.7	-8.6	115.2	P637 Q643 G685	P637-R641 WeakPolarHBondContact O-CG 3.29Å; P637-R641 PolarHBondContact O-N 3.25Å; P637-R641 VanDerWaalsContact O-N 3.07Å; P637-R641 PolarHBondContact O-NH1 3.43Å; R641-Q643 HydrophobicContact CB-CG 4.14Å; R641-Q643 VanDerWaalsContact CD-OE1 3.23Å; R641-Q643 PolarHBondContact O-N 3.12Å; R641-G685 WeakPolarHBondContact CD-O 3.34Å; R641-G685 WeakPolarHBondContact CG-O 3.45Å; R641-G685 PolarHBondContact NH1-O 2.99Å
642	L	83.4	Confident	89.5	Confident	53 Å²	53	45.6 Å²	45.6	28%	0.277	22%	0.215	S	C	.	.			trans	53.3	15.8	-178.3	-72.4	164	0	0	0	116.2	E626 L628 E638 P647	E626-L642 HydrophobicContact CB-CD2 3.79Å; E626-L642 VanDerWaalsContact O-CD1 3.31Å; E626-L642 WeakPolarHBondContact O-CD1 3.25Å; E626-L642 WeakPolarHBondContact O-CD2 3.36Å; L628-L642 HydrophobicContact CD1-CD1 4.28Å; L628-L642 HydrophobicContact CD2-CD1 3.67Å; L628-L642 HydrophobicContact CD2-CG 4.09Å; L628-L642 HydrophobicContact CG-CD1 3.69Å; E638-L642 PolarHBondContact O-N 2.86Å; L642-P647 HydrophobicContact CD2-CG 4.31Å
643	Q	82.4	Confident	89.9	Confident	146 Å²	146	44.8 Å²	44.8	68%	0.682	21%	0.211	S	C	*	.			trans	-73.2	-26.4	-178.3	-73.4	166	-23.5	0	0	113.3	R641	R641-Q643 HydrophobicContact CB-CG 4.14Å; R641-Q643 VanDerWaalsContact CD-OE1 3.23Å; R641-Q643 PolarHBondContact O-N 3.12Å
644	D	79.6	Confident	90.1	Very high	62 Å²	62	43.3 Å²	43.3	33%	0.332	20%	0.203	S	C	.	.	S	Bend	trans	-88.7	140.9	178.7	-75.6	-28.8	0	0	0	111.4	N646 P647 R716	D644-N646 PolarHBondContact O-N 3.09Å; D644-P647 HydrophobicContact CB-CB 4.42Å; D644-P647 WeakPolarHBondContact O-CD 3.37Å; D644-R716 IonicContact OD1-NH2 2.68Å; D644-R716 IonicContact OD2-CZ 3.71Å; D644-R716 IonicContact OD2-NH1 2.8Å; D644-R716 PolarHBondContact OD2-NH1 3.35Å; D644-R716 IonicContact OD2-NH2 3.8Å; D644-R716 PolarHBondContact OD2-NH2 3.01Å
645	K	74.3	Confident	90.2	Very high	202 Å²	202	42.7 Å²	42.7	88%	0.878	20%	0.201	S	C	*	.	S	Bend	trans	-56.2	-23.1	175.1	-177.7	169.7	-178.1	172.2	0	114.6
646	N	80	Confident	90.4	Very high	108 Å²	108	42 Å²	42	58%	0.578	20%	0.199	S	C	*	.			trans	-146.1	96.6	168.3	-69.4	-78	0	0	0	107.3	D644	D644-N646 PolarHBondContact O-N 3.09Å
647	P	85.7	Confident	90.6	Very high	1 Å²	1	42 Å²	42	1%	0.006	20%	0.198	C	C	.	.			trans	-79	-31.3	-179.3	31.8	-33.6	0	0	0	111.7	E626 E638 V639 L642 D644 S649	E626-P647 WeakPolarHBondContact OE2-CD 3.44Å; E638-P647 VanDerWaalsContact O-CB 3.3Å; E638-P647 WeakPolarHBondContact O-CB 3.48Å; V639-P647 HydrophobicContact CG2-CB 4.22Å; L642-P647 HydrophobicContact CD2-CG 4.31Å; D644-P647 HydrophobicContact CB-CB 4.42Å; D644-P647 WeakPolarHBondContact O-CD 3.37Å; P647-S649 PolarHBondContact O-N 3.02Å
648	Y	88.5	Confident	90.8	Very high	37 Å²	37	41.8 Å²	41.8	15%	0.145	20%	0.197	C	C	.	.			trans	-64.4	124.7	175	-68	-79.7	0	0	0	111.6	R590 E626 V639	R590-Y648 HydrophobicContact CB-CD1 3.62Å; R590-Y648 HydrophobicContact CB-CE1 3.81Å; R590-Y648 HydrophobicContact CB-CG 4.37Å; R590-Y648 HydrophobicContact CG-CD1 3.63Å; R590-Y648 HydrophobicContact CG-CE1 4.29Å; R590-Y648 HydrophobicContact CG-CG 3.93Å; R590-Y648 VanDerWaalsContact NH1-CD2 3.33Å; R590-Y648 WeakPolarHBondContact O-CE1 2.9Å; E626-Y648 WeakPolarHBondContact OE1-CD2 3.34Å; E626-Y648 WeakPolarHBondContact OE2-CD2 3.38Å; E626-Y648 VanDerWaalsContact OE2-CE2 3.28Å; E626-Y648 WeakPolarHBondContact OE2-CE2 3.41Å; V639-Y648 HydrophobicContact CG1-CD1 4.37Å; V639-Y648 HydrophobicContact CG1-CE1 3.68Å; V639-Y648 HydrophobicContact CG1-CE2 4.13Å; V639-Y648 HydrophobicContact CG2-CD1 4.18Å; V639-Y648 HydrophobicContact CG2-CE1 4.27Å
649	S	92.1	Very high	91	Very high	19 Å²	19	41.5 Å²	41.5	13%	0.133	20%	0.196	C	C	.	.			trans	-150.5	171.5	-172.9	57.1	0	0	0	0	110.6	P647 Q651 S652 D653	P647-S649 PolarHBondContact O-N 3.02Å; S649-Q651 PolarHBondContact O-N 3.37Å; S649-Q651 PolarHBondContact OG-N 2.78Å; S649-S652 PolarHBondContact N-OG 2.57Å; S649-S652 PolarHBondContact O-N 3.44Å; S649-S652 VanDerWaalsContact O-N 3.14Å; S649-S652 PolarHBondContact O-OG 2.97Å; S649-S652 PolarHBondContact OG-N 3.3Å; S649-S652 VanDerWaalsContact OG-N 3.14Å; S649-D653 PolarHBondContact O-N 3.48Å
650	F	95.4	Very high	91.4	Very high	62 Å²	62	41.3 Å²	41.3	27%	0.272	20%	0.195	S	C	.	.	H	α-helix	trans	-57.1	-34.3	168.9	-61.7	-36	0	0	0	111.4	H583 I588 D653 V654 L721	H583-F650 HydrophobicContact CB-CD1 4.07Å; H583-F650 HydrophobicContact CB-CE1 4.11Å; H583-F650 AromaticContact CD2-CD1 3.63Å; H583-F650 VanDerWaalsContact CE1-CA 3.44Å; H583-F650 WeakPolarHBondContact CE1-CA 3.49Å; H583-F650 AromaticContact CE1-CD1 3.62Å; H583-F650 AromaticContact CE1-CG 3.9Å; H583-F650 PolarHBondContact CE1-O 3.34Å; H583-F650 AromaticContact CG-CD1 3.47Å; H583-F650 VanDerWaalsContact CG-CD1 3.47Å; H583-F650 AromaticContact CG-CE1 3.94Å; H583-F650 WeakPolarHBondContact ND1-CB 3.48Å; H583-F650 AromaticContact ND1-CD1 3.46Å; H583-F650 WeakPolarHBondContact ND1-CD1 3.29Å; H583-F650 AromaticContact ND1-CG 3.59Å; H583-F650 AromaticContact NE2-CD1 3.71Å; I588-F650 HydrophobicContact CG1-CD1 3.84Å; I588-F650 HydrophobicContact CG1-CE1 3.85Å; F650-D653 PolarHBondContact O-N 2.88Å; F650-V654 WeakPolarHBondContact O-CG2 3.04Å; F650-V654 PolarHBondContact O-N 3Å; F650-L721 HydrophobicContact CB-CD2 3.93Å
651	Q	97.5	Very high	91.8	Very high	52 Å²	52	40.8 Å²	40.8	24%	0.243	19%	0.192	C	C	.	.	H	α-helix	trans	-72.4	-26.1	178.7	-65.2	82.4	-7.8	0	0	113.3	S649 V654 Y655 R716 R719 L721	S649-Q651 PolarHBondContact O-N 3.37Å; S649-Q651 PolarHBondContact OG-N 2.78Å; Q651-V654 PolarHBondContact O-N 3.29Å; Q651-Y655 PolarHBondContact O-N 2.93Å; Q651-Y655 VanDerWaalsContact O-N 3.11Å; Q651-R716 HydrophobicContact CB-CB 3.82Å; Q651-R716 HydrophobicContact CG-CB 4.47Å; Q651-R716 WeakPolarHBondContact CG-O 3.5Å; Q651-R719 WeakPolarHBondContact O-CD 3.42Å; Q651-R719 PolarHBondContact O-NH1 2.91Å; Q651-L721 HydrophobicContact CG-CD2 4.4Å
652	S	95.4	Very high	92.2	Very high	6 Å²	6	36.2 Å²	36.2	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-73.7	-39.2	172.3	66.3	0	0	0	0	111.6	S649 V654 Y655 A656	S649-S652 PolarHBondContact N-OG 2.57Å; S649-S652 PolarHBondContact O-N 3.44Å; S649-S652 VanDerWaalsContact O-N 3.14Å; S649-S652 PolarHBondContact O-OG 2.97Å; S649-S652 PolarHBondContact OG-N 3.3Å; S649-S652 VanDerWaalsContact OG-N 3.14Å; S652-V654 VanDerWaalsContact C-N 3.27Å; S652-V654 PolarHBondContact O-N 3.45Å; S652-Y655 PolarHBondContact O-N 3.3Å; S652-A656 PolarHBondContact O-N 2.82Å; S652-A656 VanDerWaalsContact O-N 3.07Å
653	D	96.9	Very high	92.9	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.011	16%	0.161	C	C	.	.	H	α-helix	trans	-61.2	-36.6	170.6	-76.7	-5.8	0	0	0	111.6	M579 H583 I588 H589 R590 S649 F650 A656 F657 F722	M579-D653 HydrophobicContact CE-CB 3.81Å; M579-D653 WeakPolarHBondContact CE-OD2 3.29Å; H583-D653 IonicContact CD2-OD2 3.51Å; H583-D653 IonicContact CE1-OD2 2.84Å; H583-D653 IonicContact NE2-OD2 3.52Å; H583-D653 PolarHBondContact NE2-OD2 3.22Å; I588-D653 WeakPolarHBondContact CA-OD2 3.47Å; I588-D653 WeakPolarHBondContact CG2-OD1 3.25Å; I588-D653 WeakPolarHBondContact CG2-OD2 3.33Å; H589-D653 PolarHBondContact N-OD1 2.92Å; H589-D653 PolarHBondContact N-OD2 3.31Å; R590-D653 PolarHBondContact N-OD1 3.27Å; S649-D653 PolarHBondContact O-N 3.48Å; F650-D653 PolarHBondContact O-N 2.88Å; D653-A656 PolarHBondContact O-N 2.78Å; D653-F657 WeakPolarHBondContact O-CB 3.23Å; D653-F657 PolarHBondContact O-N 3.14Å; D653-F722 HydrophobicContact CB-CE2 4.44Å
654	V	98.6	Very high	93.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.1	-38.2	175.1	166.7	0	0	0	0	112.2	F650 Q651 S652 F657 G658 C711 R719 P720 F722 I725	F650-V654 WeakPolarHBondContact O-CG2 3.04Å; F650-V654 PolarHBondContact O-N 3Å; Q651-V654 PolarHBondContact O-N 3.29Å; S652-V654 VanDerWaalsContact C-N 3.27Å; S652-V654 PolarHBondContact O-N 3.45Å; V654-F657 PolarHBondContact O-N 3.08Å; V654-G658 PolarHBondContact O-N 3.3Å; V654-C711 HydrophobicContact CG1-CB 3.92Å; V654-R719 HydrophobicContact CG1-CB 3.98Å; V654-P720 WeakPolarHBondContact CG1-O 3.48Å; V654-P720 WeakPolarHBondContact CG2-O 3.36Å; V654-F722 HydrophobicContact CB-CE2 4.48Å; V654-F722 HydrophobicContact CG2-CD2 3.8Å; V654-F722 HydrophobicContact CG2-CE2 3.47Å; V654-F722 VanDerWaalsContact CG2-CE2 3.47Å; V654-F722 HydrophobicContact CG2-CZ 4.09Å; V654-I725 HydrophobicContact CB-CD1 4.4Å; V654-I725 HydrophobicContact CG1-CD1 3.79Å; V654-I725 HydrophobicContact CG2-CD1 3.8Å
655	Y	98.4	Very high	94.5	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.016	11%	0.113	C	C	.	.	H	α-helix	trans	-63.7	-46.1	174.3	-176.7	-86.9	0	0	0	111.1	M635 A636 P637 Q651 S652 F657 G658 I659 Y671 L712	M635-Y655 WeakPolarHBondContact O-CE1 3.06Å; A636-Y655 VanDerWaalsContact CA-CD1 3.45Å; A636-Y655 HydrophobicContact CB-CD1 3.87Å; A636-Y655 HydrophobicContact CB-CD2 4.47Å; A636-Y655 HydrophobicContact CB-CG 3.78Å; P637-Y655 HydrophobicContact CG-CE2 4.49Å; Q651-Y655 PolarHBondContact O-N 2.93Å; Q651-Y655 VanDerWaalsContact O-N 3.11Å; S652-Y655 PolarHBondContact O-N 3.3Å; Y655-F657 VanDerWaalsContact C-N 3.3Å; Y655-F657 PolarHBondContact O-N 2.85Å; Y655-G658 CarbonylContact O-C 3.56Å; Y655-G658 VanDerWaalsContact O-CA 3.3Å; Y655-G658 WeakPolarHBondContact O-CA 3.42Å; Y655-G658 PolarHBondContact O-N 2.9Å; Y655-I659 HydrophobicContact CD1-CG1 4.25Å; Y655-I659 HydrophobicContact CE1-CD1 4.13Å; Y655-I659 HydrophobicContact CE1-CG1 3.91Å; Y655-I659 PolarHBondContact O-N 3.15Å; Y655-Y671 PolarHBondContact OH-OH 3.08Å; Y655-L712 HydrophobicContact CD2-CD2 4.17Å; Y655-L712 HydrophobicContact CE1-CD2 4.47Å; Y655-L712 HydrophobicContact CE2-CB 4.47Å; Y655-L712 HydrophobicContact CE2-CD2 3.91Å
656	A	97.9	Very high	95.5	Very high	6 Å²	6	14.9 Å²	14.9	5%	0.05	8%	0.077	C	C	.	.	H	α-helix	trans	-58.8	-40.4	175.1	0	0	0	0	0	112.1	L592 W634 S652 D653 G658 I659 V660	L592-A656 HydrophobicContact CB-CB 4.09Å; L592-A656 WeakPolarHBondContact O-CB 3.44Å; W634-A656 HydrophobicContact CB-CB 4.19Å; W634-A656 WeakPolarHBondContact O-CB 3.43Å; S652-A656 PolarHBondContact O-N 2.82Å; S652-A656 VanDerWaalsContact O-N 3.07Å; D653-A656 PolarHBondContact O-N 2.78Å; A656-G658 VanDerWaalsContact C-N 3.34Å; A656-I659 PolarHBondContact O-N 3.16Å; A656-V660 PolarHBondContact O-N 3.47Å
657	F	98.7	Very high	96.2	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64.6	-35.2	170.3	178.3	-103.2	0	0	0	112.9	T575 A576 L592 D653 V654 Y655 I659 V660 L661 F722 I725 I729	T575-F657 HydrophobicContact CG2-CD2 3.84Å; T575-F657 HydrophobicContact CG2-CE2 3.76Å; A576-F657 HydrophobicContact CB-CE2 4.39Å; A576-F657 HydrophobicContact CB-CZ 4.03Å; L592-F657 HydrophobicContact CD2-CB 3.78Å; D653-F657 WeakPolarHBondContact O-CB 3.23Å; D653-F657 PolarHBondContact O-N 3.14Å; V654-F657 PolarHBondContact O-N 3.08Å; Y655-F657 VanDerWaalsContact C-N 3.3Å; Y655-F657 PolarHBondContact O-N 2.85Å; F657-I659 VanDerWaalsContact C-N 3.28Å; F657-I659 PolarHBondContact O-N 2.91Å; F657-V660 CarbonylContact O-C 3.54Å; F657-V660 PolarHBondContact O-N 3.02Å; F657-L661 HydrophobicContact CD1-CD1 4.17Å; F657-L661 HydrophobicContact CD1-CG 4.22Å; F657-L661 HydrophobicContact CE1-CD1 3.66Å; F657-L661 HydrophobicContact CE1-CD2 4.04Å; F657-L661 HydrophobicContact CE1-CG 3.76Å; F657-L661 HydrophobicContact CE2-CD2 4.46Å; F657-L661 HydrophobicContact CZ-CD1 4.28Å; F657-L661 HydrophobicContact CZ-CD2 3.79Å; F657-L661 HydrophobicContact CZ-CG 3.97Å; F657-L661 WeakPolarHBondContact O-CG 3.3Å; F657-L661 PolarHBondContact O-N 3.44Å; F657-F722 HydrophobicContact CB-CE1 4.1Å; F657-F722 HydrophobicContact CB-CZ 3.73Å; F657-F722 AromaticContact CD1-CE1 3.87Å; F657-F722 HydrophobicContact CD1-CE1 3.87Å; F657-F722 HydrophobicContact CD1-CZ 4.29Å; F657-F722 HydrophobicContact CD2-CE1 4.06Å; F657-F722 HydrophobicContact CD2-CZ 4.45Å; F657-F722 HydrophobicContact CE1-CE1 4.34Å; F657-F722 AromaticContact CG-CE1 3.72Å; F657-F722 HydrophobicContact CG-CE1 3.72Å; F657-F722 AromaticContact CG-CZ 3.9Å; F657-F722 HydrophobicContact CG-CZ 3.9Å; F657-I725 HydrophobicContact CD1-CD1 4.44Å; F657-I725 HydrophobicContact CD1-CG2 4.15Å; F657-I725 HydrophobicContact CE1-CG2 3.46Å; F657-I725 VanDerWaalsContact CE1-CG2 3.46Å; F657-I725 HydrophobicContact CZ-CG2 4.21Å; F657-I729 HydrophobicContact CE1-CD1 4.32Å; F657-I729 HydrophobicContact CZ-CD1 3.94Å
658	G	98.5	Very high	96.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.1	-36	171	0	0	0	0	0	113.1	V654 Y655 A656 L661 Y662	V654-G658 PolarHBondContact O-N 3.3Å; Y655-G658 CarbonylContact O-C 3.56Å; Y655-G658 VanDerWaalsContact O-CA 3.3Å; Y655-G658 WeakPolarHBondContact O-CA 3.42Å; Y655-G658 PolarHBondContact O-N 2.9Å; A656-G658 VanDerWaalsContact C-N 3.34Å; G658-L661 PolarHBondContact O-N 2.98Å; G658-Y662 PolarHBondContact O-N 2.76Å
659	I	98.5	Very high	96.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-70.9	-40.7	172.4	-59.1	-71.3	0	0	0	110.7	L633 W634 Y655 A656 F657 L661 Y662 E663 P670 P691 L712	L633-I659 WeakPolarHBondContact O-CG1 3.42Å; W634-I659 VanDerWaalsContact CD1-CG2 3.48Å; W634-I659 HydrophobicContact CD2-CG2 4.39Å; W634-I659 HydrophobicContact CG-CB 4.33Å; W634-I659 HydrophobicContact CG-CG2 3.99Å; Y655-I659 HydrophobicContact CD1-CG1 4.25Å; Y655-I659 HydrophobicContact CE1-CD1 4.13Å; Y655-I659 HydrophobicContact CE1-CG1 3.91Å; Y655-I659 PolarHBondContact O-N 3.15Å; A656-I659 PolarHBondContact O-N 3.16Å; F657-I659 VanDerWaalsContact C-N 3.28Å; F657-I659 PolarHBondContact O-N 2.91Å; I659-L661 VanDerWaalsContact C-N 3.3Å; I659-L661 PolarHBondContact O-N 3.24Å; I659-Y662 CarbonylContact O-C 3.52Å; I659-Y662 WeakPolarHBondContact O-CA 3.46Å; I659-Y662 VanDerWaalsContact O-CB 3.3Å; I659-Y662 WeakPolarHBondContact O-CB 3.18Å; I659-Y662 PolarHBondContact O-N 2.89Å; I659-E663 WeakPolarHBondContact O-CG 3.45Å; I659-E663 PolarHBondContact O-N 2.84Å; I659-P670 HydrophobicContact CD1-CG 4.32Å; I659-P670 HydrophobicContact CG2-CG 3.99Å; I659-P691 HydrophobicContact CD1-CG 3.5Å; I659-P691 VanDerWaalsContact CD1-CG 3.5Å; I659-L712 HydrophobicContact CD1-CD2 3.54Å; I659-L712 HydrophobicContact CG1-CD2 3.81Å
660	V	98.6	Very high	97	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.1	-35.8	172.8	174.4	0	0	0	0	112	L552 I597 A656 F657 E663 L664	L552-V660 HydrophobicContact CD2-CG1 4.05Å; I597-V660 HydrophobicContact CD1-CB 4.48Å; I597-V660 HydrophobicContact CD1-CG1 3.76Å; I597-V660 HydrophobicContact CD1-CG2 3.96Å; A656-V660 PolarHBondContact O-N 3.47Å; F657-V660 CarbonylContact O-C 3.54Å; F657-V660 PolarHBondContact O-N 3.02Å; V660-E663 WeakPolarHBondContact CA-OE2 3.43Å; V660-E663 PolarHBondContact O-N 3.14Å; V660-L664 HydrophobicContact CG1-CD1 4.1Å; V660-L664 WeakPolarHBondContact O-CB 3.12Å; V660-L664 VanDerWaalsContact O-CG 3.3Å; V660-L664 WeakPolarHBondContact O-CG 3.19Å; V660-L664 PolarHBondContact O-N 2.98Å
661	L	98.5	Very high	97	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-63.2	-41.2	169.6	-71.2	-177.8	0	0	0	111.6	A572 F657 G658 I659 L664 M665 M704 L707 M708	A572-L661 HydrophobicContact CB-CD2 3.65Å; F657-L661 HydrophobicContact CD1-CD1 4.17Å; F657-L661 HydrophobicContact CD1-CG 4.22Å; F657-L661 HydrophobicContact CE1-CD1 3.66Å; F657-L661 HydrophobicContact CE1-CD2 4.04Å; F657-L661 HydrophobicContact CE1-CG 3.76Å; F657-L661 HydrophobicContact CE2-CD2 4.46Å; F657-L661 HydrophobicContact CZ-CD1 4.28Å; F657-L661 HydrophobicContact CZ-CD2 3.79Å; F657-L661 HydrophobicContact CZ-CG 3.97Å; F657-L661 WeakPolarHBondContact O-CG 3.3Å; F657-L661 PolarHBondContact O-N 3.44Å; G658-L661 PolarHBondContact O-N 2.98Å; I659-L661 VanDerWaalsContact C-N 3.3Å; I659-L661 PolarHBondContact O-N 3.24Å; L661-L664 PolarHBondContact O-N 2.82Å; L661-M665 VanDerWaalsContact O-CB 3.27Å; L661-M665 WeakPolarHBondContact O-CB 3.44Å; L661-M665 WeakPolarHBondContact O-CG 3.26Å; L661-M665 PolarHBondContact O-N 2.99Å; L661-M704 HydrophobicContact CD1-SD 4.2Å; L661-M704 HydrophobicContact CD2-CE 4.33Å; L661-M704 HydrophobicContact CD2-SD 3.86Å; L661-L707 HydrophobicContact CD1-CG 4.49Å; L661-M708 HydrophobicContact CB-CB 4.17Å; L661-M708 HydrophobicContact CB-CG 3.84Å; L661-M708 HydrophobicContact CB-SD 3.9Å; L661-M708 HydrophobicContact CD1-CB 4.1Å
662	Y	98.3	Very high	96.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-60.7	-46.8	175.8	176.8	-79.9	0	0	0	111.3	G658 I659 M665 S666 A668 P670 P691 D692 L693 M708	G658-Y662 PolarHBondContact O-N 2.76Å; I659-Y662 CarbonylContact O-C 3.52Å; I659-Y662 WeakPolarHBondContact O-CA 3.46Å; I659-Y662 VanDerWaalsContact O-CB 3.3Å; I659-Y662 WeakPolarHBondContact O-CB 3.18Å; I659-Y662 PolarHBondContact O-N 2.89Å; Y662-M665 PolarHBondContact O-N 3.48Å; Y662-S666 WeakPolarHBondContact CE1-OG 3.3Å; Y662-S666 WeakPolarHBondContact O-CB 3.43Å; Y662-S666 PolarHBondContact O-N 2.99Å; Y662-S666 PolarHBondContact O-OG 3.15Å; Y662-A668 WeakPolarHBondContact CE1-O 3.35Å; Y662-P670 HydrophobicContact CD1-CB 4.28Å; Y662-P670 HydrophobicContact CE1-CB 4.13Å; Y662-P691 HydrophobicContact CD2-CB 3.68Å; Y662-P691 HydrophobicContact CE2-CB 3.84Å; Y662-P691 HydrophobicContact CG-CB 4.27Å; Y662-D692 WeakPolarHBondContact CE2-O 3.38Å; Y662-L693 HydrophobicContact CD2-CD2 4.34Å; Y662-M708 WeakPolarHBondContact CA-SD 3.48Å; Y662-M708 PolarHBondContact N-SD 3.13Å; Y662-M708 VanDerWaalsContact N-SD 3.38Å
663	E	97.9	Very high	96.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-58.4	-49.1	175.4	-65.1	176.2	82.5	0	0	111.5	L556 H557 S594 W634 I659 V660 M665 G667 L669	L556-E663 HydrophobicContact CD1-CB 3.87Å; H557-E663 IonicContact CD2-OE1 3.76Å; H557-E663 IonicContact CE1-OE1 3.7Å; H557-E663 IonicContact NE2-OE1 2.78Å; H557-E663 PolarHBondContact NE2-OE1 3.12Å; S594-E663 WeakPolarHBondContact CB-OE1 3.28Å; S594-E663 PolarHBondContact OG-OE1 3.2Å; S594-E663 PolarHBondContact OG-OE2 3.42Å; W634-E663 WeakPolarHBondContact CZ2-OE2 3.49Å; W634-E663 PolarHBondContact NE1-OE2 3.24Å; I659-E663 WeakPolarHBondContact O-CG 3.45Å; I659-E663 PolarHBondContact O-N 2.84Å; V660-E663 WeakPolarHBondContact CA-OE2 3.43Å; V660-E663 PolarHBondContact O-N 3.14Å; E663-M665 VanDerWaalsContact C-N 3.34Å; E663-M665 PolarHBondContact O-N 3.17Å; E663-G667 VanDerWaalsContact O-CA 3.29Å; E663-G667 WeakPolarHBondContact O-CA 3.26Å; E663-G667 PolarHBondContact O-N 2.85Å; E663-L669 HydrophobicContact CG-CD2 4.31Å
664	L	97.5	Very high	95.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.2	-40.1	178.6	-75.8	166.7	0	0	0	112.3	L552 L556 L568 I571 A572 V660 L661 R697	L552-L664 HydrophobicContact CD1-CD2 3.93Å; L552-L664 HydrophobicContact CD2-CD2 4.07Å; L552-L664 HydrophobicContact CD2-CG 4.31Å; L556-L664 HydrophobicContact CD1-CD2 4.3Å; L568-L664 WeakPolarHBondContact CD1-O 3.3Å; L568-L664 HydrophobicContact CD2-CB 4.44Å; L568-L664 HydrophobicContact CD2-CD2 3.68Å; I571-L664 HydrophobicContact CB-CD2 4.38Å; I571-L664 HydrophobicContact CG2-CD1 4.25Å; I571-L664 HydrophobicContact CG2-CD2 3.94Å; A572-L664 HydrophobicContact CB-CD1 4.03Å; V660-L664 HydrophobicContact CG1-CD1 4.1Å; V660-L664 WeakPolarHBondContact O-CB 3.12Å; V660-L664 VanDerWaalsContact O-CG 3.3Å; V660-L664 WeakPolarHBondContact O-CG 3.19Å; V660-L664 PolarHBondContact O-N 2.98Å; L661-L664 PolarHBondContact O-N 2.82Å; L664-R697 PolarHBondContact O-NH1 2.87Å
665	M	96.6	Very high	95.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-92	-22	-170.2	-62.3	-62.9	141.3	0	0	114.4	M565 L568 I569 L661 Y662 E663 V696 R697 C700 M704 M708	M565-M665 HydrophobicContact CE-SD 4.2Å; M565-M665 HydrophobicContact SD-CE 4.36Å; M565-M665 HydrophobicContact SD-SD 3.74Å; L568-M665 HydrophobicContact CB-CE 4.1Å; I569-M665 HydrophobicContact CG1-CE 3.9Å; L661-M665 VanDerWaalsContact O-CB 3.27Å; L661-M665 WeakPolarHBondContact O-CB 3.44Å; L661-M665 WeakPolarHBondContact O-CG 3.26Å; L661-M665 PolarHBondContact O-N 2.99Å; Y662-M665 PolarHBondContact O-N 3.48Å; E663-M665 VanDerWaalsContact C-N 3.34Å; E663-M665 PolarHBondContact O-N 3.17Å; M665-V696 HydrophobicContact CB-CG1 4.19Å; M665-R697 WeakPolarHBondContact O-CG 3.29Å; M665-R697 PolarHBondContact O-N 3.3Å; M665-R697 PolarHBondContact O-NH1 3.24Å; M665-C700 VanDerWaalsContact SD-SG 3.7Å; M665-M704 HydrophobicContact CE-CE 4.08Å; M665-M704 HydrophobicContact CE-CG 3.98Å; M665-M704 HydrophobicContact CG-CG 3.97Å; M665-M704 HydrophobicContact SD-CG 3.81Å; M665-M708 HydrophobicContact CB-SD 4.28Å; M665-M708 HydrophobicContact CG-SD 4.4Å
666	S	95.4	Very high	95	Very high	16 Å²	16	28.8 Å²	28.8	11%	0.112	17%	0.173	C	C	.	.	H	α-helix	trans	-94.9	-43.5	170	63.5	0	0	0	0	112.4	Y662 A668 K695 R697	Y662-S666 WeakPolarHBondContact CE1-OG 3.3Å; Y662-S666 WeakPolarHBondContact O-CB 3.43Å; Y662-S666 PolarHBondContact O-N 2.99Å; Y662-S666 PolarHBondContact O-OG 3.15Å; S666-A668 PolarHBondContact OG-N 2.91Å; S666-A668 PolarHBondContact OG-O 2.9Å; S666-K695 WeakPolarHBondContact CA-O 3.39Å; S666-K695 WeakPolarHBondContact CB-O 3.21Å; S666-R697 PolarHBondContact O-NE 3.28Å; S666-R697 PolarHBondContact O-NH2 3.31Å
667	G	94.9	Very high	94.5	Very high	27 Å²	27	34.5 Å²	34.5	28%	0.278	19%	0.193	S	C	.	.	S	Bend	trans	86.9	14.1	-163.6	0	0	0	0	0	114	E663	E663-G667 VanDerWaalsContact O-CA 3.29Å; E663-G667 WeakPolarHBondContact O-CA 3.26Å; E663-G667 PolarHBondContact O-N 2.85Å
668	A	94.6	Very high	94	Very high	35 Å²	35	39.3 Å²	39.3	29%	0.289	22%	0.219	S	C	.	.	S	Bend	trans	-135.7	161.4	-179	0	0	0	0	0	111.6	Y662 S666	Y662-A668 WeakPolarHBondContact CE1-O 3.35Å; S666-A668 PolarHBondContact OG-N 2.91Å; S666-A668 PolarHBondContact OG-O 2.9Å
669	L	95.1	Very high	93.6	Very high	41 Å²	41	43.5 Å²	43.5	22%	0.215	24%	0.238	C	C	.	.			trans	-74.2	151.5	168.2	-68.6	173.9	0	0	0	111	Y553 L633 W634 E663	Y553-L669 HydrophobicContact CE2-CD1 4.17Å; Y553-L669 HydrophobicContact CE2-CD2 4.14Å; L633-L669 HydrophobicContact CD1-CB 4.28Å; L633-L669 HydrophobicContact CD1-CD1 4.14Å; L633-L669 HydrophobicContact CD1-CD2 4.19Å; L633-L669 HydrophobicContact CD1-CG 4.44Å; W634-L669 HydrophobicContact CH2-CD2 3.9Å; W634-L669 HydrophobicContact CZ2-CD2 3.93Å; E663-L669 HydrophobicContact CG-CD2 4.31Å
670	P	94.4	Very high	93.2	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.019	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	157.7	173.3	32.5	-38.3	0	0	0	110.9	L633 I659 Y662 S672 P691	L633-P670 HydrophobicContact CB-CG 3.96Å; L633-P670 HydrophobicContact CD2-CG 4.48Å; I659-P670 HydrophobicContact CD1-CG 4.32Å; I659-P670 HydrophobicContact CG2-CG 3.99Å; Y662-P670 HydrophobicContact CD1-CB 4.28Å; Y662-P670 HydrophobicContact CE1-CB 4.13Å; P670-S672 VanDerWaalsContact C-N 3.25Å; P670-S672 PolarHBondContact O-N 3.29Å; P670-P691 HydrophobicContact CB-CB 4.25Å; P670-P691 HydrophobicContact CB-CG 4.33Å
671	Y	94.1	Very high	92.8	Very high	10 Å²	10	45.4 Å²	45.4	4%	0.039	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	27.3	174.9	-33.3	-52.4	0	0	0	114.7	L633 Y655 N673 I674 I680 V684 L689 P691	L633-Y671 HydrophobicContact CD2-CD2 3.78Å; L633-Y671 HydrophobicContact CD2-CE2 4.34Å; Y655-Y671 PolarHBondContact OH-OH 3.08Å; Y671-N673 PolarHBondContact O-N 3.42Å; Y671-I674 PolarHBondContact O-N 2.81Å; Y671-I680 HydrophobicContact CD2-CD1 4.48Å; Y671-I680 HydrophobicContact CD2-CG2 3.67Å; Y671-I680 HydrophobicContact CE2-CG2 3.99Å; Y671-I680 HydrophobicContact CG-CG2 4.41Å; Y671-V684 HydrophobicContact CE1-CG2 4.34Å; Y671-V684 HydrophobicContact CE2-CG2 4.02Å; Y671-L689 HydrophobicContact CD1-CD1 3.88Å; Y671-L689 HydrophobicContact CD1-CD2 3.52Å; Y671-L689 HydrophobicContact CD1-CG 3.54Å; Y671-L689 HydrophobicContact CD2-CD2 4.4Å; Y671-L689 HydrophobicContact CE1-CD1 4.29Å; Y671-L689 HydrophobicContact CE1-CD2 3.92Å; Y671-L689 HydrophobicContact CE1-CG 3.63Å; Y671-L689 HydrophobicContact CG-CD2 3.79Å; Y671-L689 HydrophobicContact CG-CG 4.33Å; Y671-P691 HydrophobicContact CE1-CG 4.17Å
672	S	89.4	Confident	92.4	Very high	83 Å²	83	50.7 Å²	50.7	58%	0.58	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-10.1	-177.1	73.9	0	0	0	0	116.2	P670 K695	P670-S672 VanDerWaalsContact C-N 3.25Å; P670-S672 PolarHBondContact O-N 3.29Å; S672-K695 PolarHBondContact OG-NZ 2.86Å
673	N	88.2	Confident	92.1	Very high	115 Å²	115	53.1 Å²	53.1	62%	0.615	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	9.2	178.7	63.4	-75.3	0	0	0	113.3	Y671	Y671-N673 PolarHBondContact O-N 3.42Å
674	I	89.9	Confident	91.9	Very high	28 Å²	28	53.3 Å²	53.3	14%	0.144	28%	0.284	C	S	.	.			trans	-128.4	117.9	177.4	-58.8	171.2	0	0	0	108.3	Y671 Q679 I680 M683 L689	Y671-I674 PolarHBondContact O-N 2.81Å; I674-Q679 HydrophobicContact CG2-CB 4.38Å; I674-Q679 HydrophobicContact CG2-CG 4.33Å; I674-I680 HydrophobicContact CB-CD1 4.24Å; I674-I680 HydrophobicContact CB-CG1 4.08Å; I674-I680 HydrophobicContact CG2-CD1 4.09Å; I674-I680 HydrophobicContact CG2-CG1 3.67Å; I674-M683 HydrophobicContact CD1-SD 4.46Å; I674-L689 HydrophobicContact CD1-CD1 4.01Å; I674-L689 HydrophobicContact CD1-CD2 3.64Å
675	N	87.9	Confident	91.6	Very high	163 Å²	163	53.5 Å²	53.5	87%	0.872	29%	0.287	S	S	*	.			trans	-89.2	-24.1	178.9	58.9	3.8	0	0	0	113	R677	N675-R677 PolarHBondContact O-N 3.14Å
676	N	89.9	Confident	91.3	Very high	77 Å²	77	61.3 Å²	61.3	41%	0.412	32%	0.316	S	S	.	.			trans	-80.7	116.2	-177.8	-175.1	-36.6	0	0	0	111.6	D678 Q679 I680	N676-D678 PolarHBondContact O-N 3.08Å; N676-D678 PolarHBondContact OD1-N 3.26Å; N676-Q679 HydrophobicContact CB-CB 3.78Å; N676-Q679 PolarHBondContact OD1-N 3.04Å; N676-I680 PolarHBondContact O-N 2.72Å
677	R	87.6	Confident	90.9	Very high	126 Å²	126	61.3 Å²	61.3	48%	0.475	32%	0.319	S	S	.	.	H	α-helix	trans	-57.8	-47.5	179.1	-177.8	-169.7	171.2	-166.8	-8.3	112.5	L628 I632 N675 I680 I681	L628-R677 PolarHBondContact O-NH2 3.46Å; I632-R677 HydrophobicContact CD1-CG 3.59Å; I632-R677 WeakPolarHBondContact CD1-O 3.42Å; N675-R677 PolarHBondContact O-N 3.14Å; R677-I680 WeakPolarHBondContact O-CB 3.37Å; R677-I680 PolarHBondContact O-N 3.21Å; R677-I681 HydrophobicContact CG-CD1 4.25Å; R677-I681 WeakPolarHBondContact O-CG1 3.45Å; R677-I681 PolarHBondContact O-N 3.4Å
678	D	87.9	Confident	90.7	Very high	102 Å²	102	67.7 Å²	67.7	55%	0.545	34%	0.336	S	S	.	.	H	α-helix	trans	-80	-26.6	-170.1	-57.9	-41.4	0	0	0	111.3	N676 I681 F682	N676-D678 PolarHBondContact O-N 3.08Å; N676-D678 PolarHBondContact OD1-N 3.26Å; D678-I681 PolarHBondContact O-N 2.71Å; D678-F682 WeakPolarHBondContact O-CB 3.32Å; D678-F682 PolarHBondContact O-N 2.98Å
679	Q	90.9	Very high	90.5	Very high	88 Å²	88	67.2 Å²	67.2	41%	0.411	33%	0.328	S	S	.	.	H	α-helix	trans	-59.6	-45.2	164.6	-171.9	179.7	18.2	0	0	111.6	I674 N676 F682 M683	I674-Q679 HydrophobicContact CG2-CB 4.38Å; I674-Q679 HydrophobicContact CG2-CG 4.33Å; N676-Q679 HydrophobicContact CB-CB 3.78Å; N676-Q679 PolarHBondContact OD1-N 3.04Å; Q679-F682 PolarHBondContact O-N 3.25Å; Q679-M683 HydrophobicContact CG-CG 4.32Å; Q679-M683 HydrophobicContact CG-SD 3.7Å; Q679-M683 WeakPolarHBondContact O-CB 3.37Å; Q679-M683 VanDerWaalsContact O-CG 3.25Å; Q679-M683 WeakPolarHBondContact O-CG 3.45Å; Q679-M683 PolarHBondContact O-N 3.3Å
680	I	90.3	Very high	90.4	Very high	12 Å²	12	67.5 Å²	67.5	6%	0.062	33%	0.334	C	S	.	.	H	α-helix	trans	-62	-46	174.8	-65.8	166.2	0	0	0	110.6	I632 L633 Y671 I674 N676 R677 F682 M683 V684 L689	I632-I680 HydrophobicContact CD1-CB 4.06Å; I632-I680 HydrophobicContact CD1-CG2 3.92Å; L633-I680 HydrophobicContact CD2-CD1 4.45Å; Y671-I680 HydrophobicContact CD2-CD1 4.48Å; Y671-I680 HydrophobicContact CD2-CG2 3.67Å; Y671-I680 HydrophobicContact CE2-CG2 3.99Å; Y671-I680 HydrophobicContact CG-CG2 4.41Å; I674-I680 HydrophobicContact CB-CD1 4.24Å; I674-I680 HydrophobicContact CB-CG1 4.08Å; I674-I680 HydrophobicContact CG2-CD1 4.09Å; I674-I680 HydrophobicContact CG2-CG1 3.67Å; N676-I680 PolarHBondContact O-N 2.72Å; R677-I680 WeakPolarHBondContact O-CB 3.37Å; R677-I680 PolarHBondContact O-N 3.21Å; I680-F682 PolarHBondContact O-N 3.34Å; I680-M683 PolarHBondContact O-N 2.98Å; I680-V684 HydrophobicContact CG2-CG2 4.05Å; I680-V684 WeakPolarHBondContact O-CB 3.44Å; I680-V684 VanDerWaalsContact O-CG2 3.28Å; I680-V684 WeakPolarHBondContact O-CG2 3.43Å; I680-V684 PolarHBondContact O-N 3.32Å; I680-L689 HydrophobicContact CG1-CD2 4.34Å; I680-L689 HydrophobicContact CG2-CD2 4.41Å
681	I	90.4	Very high	90.3	Very high	27 Å²	27	67.9 Å²	67.9	14%	0.138	34%	0.336	C	S	.	.	H	α-helix	trans	-55.9	-52.6	176.3	-67.5	173.6	0	0	0	110.3	L628 I632 I640 R677 D678 G685	L628-I681 HydrophobicContact CD1-CG2 4.33Å; I632-I681 HydrophobicContact CB-CG1 4.39Å; I632-I681 HydrophobicContact CD1-CD1 4.37Å; I632-I681 HydrophobicContact CD1-CG1 3.78Å; I632-I681 HydrophobicContact CG2-CD1 4.04Å; I632-I681 HydrophobicContact CG2-CG1 4.03Å; I640-I681 HydrophobicContact CG2-CG2 3.78Å; I640-I681 WeakPolarHBondContact CG2-O 3.45Å; R677-I681 HydrophobicContact CG-CD1 4.25Å; R677-I681 WeakPolarHBondContact O-CG1 3.45Å; R677-I681 PolarHBondContact O-N 3.4Å; D678-I681 PolarHBondContact O-N 2.71Å; I681-G685 PolarHBondContact O-N 2.91Å
682	F	88.8	Confident	90.1	Very high	112 Å²	112	69.9 Å²	69.9	49%	0.491	35%	0.348	S	S	.	.	H	α-helix	trans	-61.1	-51.6	-179.8	179.5	-95.8	0	0	0	112.1	D678 Q679 I680 G685 R686 Y688	D678-F682 WeakPolarHBondContact O-CB 3.32Å; D678-F682 PolarHBondContact O-N 2.98Å; Q679-F682 PolarHBondContact O-N 3.25Å; I680-F682 PolarHBondContact O-N 3.34Å; F682-G685 PolarHBondContact O-N 3.46Å; F682-R686 HydrophobicContact CD1-CG 4.41Å; F682-R686 HydrophobicContact CD2-CG 4.33Å; F682-R686 HydrophobicContact CE1-CG 4.15Å; F682-R686 HydrophobicContact CE2-CG 4.07Å; F682-R686 HydrophobicContact CG-CG 4.5Å; F682-R686 HydrophobicContact CZ-CG 3.98Å; F682-R686 WeakPolarHBondContact O-CB 3.42Å; F682-R686 VanDerWaalsContact O-CG 3.31Å; F682-R686 WeakPolarHBondContact O-CG 3.35Å; F682-R686 PolarHBondContact O-N 3.13Å; F682-Y688 HydrophobicContact CE1-CE2 4.31Å
683	M	92.9	Very high	90.2	Very high	51 Å²	51	66.8 Å²	66.8	25%	0.251	32%	0.324	S	S	.	.	H	α-helix	trans	-70.6	-35.8	-174.3	-64.2	177.5	74	0	0	112.9	I674 Q679 I680 G687 Y688 L689	I674-M683 HydrophobicContact CD1-SD 4.46Å; Q679-M683 HydrophobicContact CG-CG 4.32Å; Q679-M683 HydrophobicContact CG-SD 3.7Å; Q679-M683 WeakPolarHBondContact O-CB 3.37Å; Q679-M683 VanDerWaalsContact O-CG 3.25Å; Q679-M683 WeakPolarHBondContact O-CG 3.45Å; Q679-M683 PolarHBondContact O-N 3.3Å; I680-M683 PolarHBondContact O-N 2.98Å; M683-G687 CarbonylContact O-C 3.45Å; M683-G687 PolarHBondContact O-N 3.08Å; M683-G687 VanDerWaalsContact O-N 3.08Å; M683-Y688 PolarHBondContact O-N 3.26Å; M683-L689 HydrophobicContact CB-CB 3.59Å; M683-L689 HydrophobicContact CB-CD2 4.33Å; M683-L689 HydrophobicContact CE-CB 4.43Å; M683-L689 PolarHBondContact O-N 2.94Å
684	V	93.9	Very high	90.1	Very high	3 Å²	3	64.3 Å²	64.3	2%	0.018	32%	0.316	C	S	.	.	H	α-helix	trans	-73.2	-41.2	173.8	179.7	0	0	0	0	110.4	P637 I640 Y671 I680 G687 L689	P637-V684 HydrophobicContact CG-CG1 4.05Å; I640-V684 HydrophobicContact CD1-CB 3.89Å; I640-V684 HydrophobicContact CD1-CG1 3.63Å; Y671-V684 HydrophobicContact CE1-CG2 4.34Å; Y671-V684 HydrophobicContact CE2-CG2 4.02Å; I680-V684 HydrophobicContact CG2-CG2 4.05Å; I680-V684 WeakPolarHBondContact O-CB 3.44Å; I680-V684 VanDerWaalsContact O-CG2 3.28Å; I680-V684 WeakPolarHBondContact O-CG2 3.43Å; I680-V684 PolarHBondContact O-N 3.32Å; V684-G687 WeakPolarHBondContact O-CA 3.47Å; V684-G687 PolarHBondContact O-N 2.92Å; V684-L689 HydrophobicContact CG2-CB 3.99Å; V684-L689 HydrophobicContact CG2-CD2 3.96Å; V684-L689 HydrophobicContact CG2-CG 4.14Å
685	G	91.1	Very high	90.1	Very high	5 Å²	5	66.8 Å²	66.8	5%	0.052	33%	0.326	C	S	.	.	H	α-helix	trans	-60.2	-45.5	177	0	0	0	0	0	113	R641 I681 F682 G687	R641-G685 WeakPolarHBondContact CD-O 3.34Å; R641-G685 WeakPolarHBondContact CG-O 3.45Å; R641-G685 PolarHBondContact NH1-O 2.99Å; I681-G685 PolarHBondContact O-N 2.91Å; F682-G685 PolarHBondContact O-N 3.46Å; G685-G687 VanDerWaalsContact C-N 3.26Å; G685-G687 PolarHBondContact O-N 3.04Å
686	R	89.9	Confident	90.3	Very high	163 Å²	163	60 Å²	60	62%	0.615	29%	0.29	S	S	*	.	H	α-helix	trans	-71.1	-17.3	172.1	-68.3	-70.1	-177.8	171.5	0.4	113.4	F682 Y688	F682-R686 HydrophobicContact CD1-CG 4.41Å; F682-R686 HydrophobicContact CD2-CG 4.33Å; F682-R686 HydrophobicContact CE1-CG 4.15Å; F682-R686 HydrophobicContact CE2-CG 4.07Å; F682-R686 HydrophobicContact CG-CG 4.5Å; F682-R686 HydrophobicContact CZ-CG 3.98Å; F682-R686 WeakPolarHBondContact O-CB 3.42Å; F682-R686 VanDerWaalsContact O-CG 3.31Å; F682-R686 WeakPolarHBondContact O-CG 3.35Å; F682-R686 PolarHBondContact O-N 3.13Å; R686-Y688 HydrophobicContact CB-CD1 4.35Å; R686-Y688 HydrophobicContact CB-CD2 3.96Å; R686-Y688 HydrophobicContact CB-CE1 4.27Å; R686-Y688 HydrophobicContact CB-CE2 3.89Å; R686-Y688 HydrophobicContact CB-CG 4.2Å; R686-Y688 HydrophobicContact CG-CE2 4.29Å
687	G	87.4	Confident	90.2	Very high	17 Å²	17	60.5 Å²	60.5	18%	0.175	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	20.7	-179.5	0	0	0	0	0	114.3	M683 V684 G685 K714	M683-G687 CarbonylContact O-C 3.45Å; M683-G687 PolarHBondContact O-N 3.08Å; M683-G687 VanDerWaalsContact O-N 3.08Å; V684-G687 WeakPolarHBondContact O-CA 3.47Å; V684-G687 PolarHBondContact O-N 2.92Å; G685-G687 VanDerWaalsContact C-N 3.26Å; G685-G687 PolarHBondContact O-N 3.04Å; G687-K714 VanDerWaalsContact O-CE 3.25Å; G687-K714 WeakPolarHBondContact O-CE 3.23Å; G687-K714 PolarHBondContact O-NZ 2.67Å
688	Y	89.9	Confident	90.2	Very high	160 Å²	160	60.9 Å²	60.9	63%	0.627	31%	0.308	S	S	*	.			trans	-77.8	-42.8	171.7	-56.8	-25.5	0	0	0	111.3	F682 M683 R686	F682-Y688 HydrophobicContact CE1-CE2 4.31Å; M683-Y688 PolarHBondContact O-N 3.26Å; R686-Y688 HydrophobicContact CB-CD1 4.35Å; R686-Y688 HydrophobicContact CB-CD2 3.96Å; R686-Y688 HydrophobicContact CB-CE1 4.27Å; R686-Y688 HydrophobicContact CB-CE2 3.89Å; R686-Y688 HydrophobicContact CB-CG 4.2Å; R686-Y688 HydrophobicContact CG-CE2 4.29Å
689	L	90.9	Very high	90	Very high	26 Å²	26	60.4 Å²	60.4	14%	0.136	31%	0.306	C	S	.	.			trans	-90.5	149.5	179.9	-172.5	61	0	0	0	112.1	Y671 I674 I680 M683 V684	Y671-L689 HydrophobicContact CD1-CD1 3.88Å; Y671-L689 HydrophobicContact CD1-CD2 3.52Å; Y671-L689 HydrophobicContact CD1-CG 3.54Å; Y671-L689 HydrophobicContact CD2-CD2 4.4Å; Y671-L689 HydrophobicContact CE1-CD1 4.29Å; Y671-L689 HydrophobicContact CE1-CD2 3.92Å; Y671-L689 HydrophobicContact CE1-CG 3.63Å; Y671-L689 HydrophobicContact CG-CD2 3.79Å; Y671-L689 HydrophobicContact CG-CG 4.33Å; I674-L689 HydrophobicContact CD1-CD1 4.01Å; I674-L689 HydrophobicContact CD1-CD2 3.64Å; I680-L689 HydrophobicContact CG1-CD2 4.34Å; I680-L689 HydrophobicContact CG2-CD2 4.41Å; M683-L689 HydrophobicContact CB-CB 3.59Å; M683-L689 HydrophobicContact CB-CD2 4.33Å; M683-L689 HydrophobicContact CE-CB 4.43Å; M683-L689 PolarHBondContact O-N 2.94Å; V684-L689 HydrophobicContact CG2-CB 3.99Å; V684-L689 HydrophobicContact CG2-CD2 3.96Å; V684-L689 HydrophobicContact CG2-CG 4.14Å
690	S	91.9	Very high	89.9	Confident	47 Å²	47	57 Å²	57	33%	0.329	29%	0.291	S	S	.	.			trans	-157.5	155.1	174.9	-68.4	0	0	0	0	110.5	D692 K714	S690-D692 PolarHBondContact O-N 3.05Å; S690-K714 WeakPolarHBondContact OG-CE 3.41Å
691	P	93.4	Very high	89.6	Confident	11 Å²	11	57.4 Å²	57.4	7%	0.071	30%	0.295	C	S	.	.			trans	-62.9	133.4	-178.1	-24.1	35.3	0	0	0	112.3	I659 Y662 P670 Y671 L693 L712	I659-P691 HydrophobicContact CD1-CG 3.5Å; I659-P691 VanDerWaalsContact CD1-CG 3.5Å; Y662-P691 HydrophobicContact CD2-CB 3.68Å; Y662-P691 HydrophobicContact CE2-CB 3.84Å; Y662-P691 HydrophobicContact CG-CB 4.27Å; P670-P691 HydrophobicContact CB-CB 4.25Å; P670-P691 HydrophobicContact CB-CG 4.33Å; Y671-P691 HydrophobicContact CE1-CG 4.17Å; P691-L693 PolarHBondContact O-N 2.98Å; P691-L693 VanDerWaalsContact O-N 3.12Å; P691-L712 HydrophobicContact CB-CD1 4.17Å; P691-L712 HydrophobicContact CG-CD1 4Å; P691-L712 HydrophobicContact CG-CD2 4.14Å
692	D	90.1	Very high	89.2	Confident	52 Å²	52	61.7 Å²	61.7	28%	0.278	31%	0.312	S	S	.	.			trans	-77.1	96.1	-173.7	171.7	12.8	0	0	0	111.9	Y662 S690 S694 K695	Y662-D692 WeakPolarHBondContact CE2-O 3.38Å; S690-D692 PolarHBondContact O-N 3.05Å; D692-S694 VanDerWaalsContact CG-OG 3.26Å; D692-S694 PolarHBondContact O-N 3.03Å; D692-S694 WeakPolarHBondContact OD1-CB 3.45Å; D692-S694 PolarHBondContact OD1-N 2.86Å; D692-S694 PolarHBondContact OD1-OG 2.99Å; D692-S694 PolarHBondContact OD2-OG 3.14Å; D692-K695 HydrophobicContact CB-CD 4.26Å; D692-K695 PolarHBondContact O-N 3.18Å; D692-K695 WeakPolarHBondContact OD2-CD 3.45Å; D692-K695 WeakPolarHBondContact OD2-CE 3.47Å; D692-K695 WeakPolarHBondContact OD2-CG 3.39Å; D692-K695 IonicContact OD2-NZ 3.29Å
693	L	90	Very high	88.9	Confident	18 Å²	18	58.7 Å²	58.7	9%	0.094	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	0.8	-177	-50	-173.7	0	0	0	114	Y662 P691 V696 K705 M708 A709 L712	Y662-L693 HydrophobicContact CD2-CD2 4.34Å; P691-L693 PolarHBondContact O-N 2.98Å; P691-L693 VanDerWaalsContact O-N 3.12Å; L693-V696 WeakPolarHBondContact O-CG2 3.42Å; L693-K705 WeakPolarHBondContact O-CE 3.32Å; L693-K705 PolarHBondContact O-NZ 2.86Å; L693-M708 HydrophobicContact CD2-CE 3.89Å; L693-A709 HydrophobicContact CD1-CB 3.79Å; L693-L712 HydrophobicContact CD2-CD1 4.18Å
694	S	87.8	Confident	88.7	Confident	63 Å²	63	56.3 Å²	56.3	44%	0.441	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-32.4	170.1	78.7	0	0	0	0	112.2	D692 V696	D692-S694 VanDerWaalsContact CG-OG 3.26Å; D692-S694 PolarHBondContact O-N 3.03Å; D692-S694 WeakPolarHBondContact OD1-CB 3.45Å; D692-S694 PolarHBondContact OD1-N 2.86Å; D692-S694 PolarHBondContact OD1-OG 2.99Å; D692-S694 PolarHBondContact OD2-OG 3.14Å; S694-V696 PolarHBondContact O-N 3.18Å
695	K	90.3	Very high	88.4	Confident	80 Å²	80	57.8 Å²	57.8	35%	0.348	30%	0.303	S	S	.	.	S	Bend	trans	-71.2	7.1	179.3	-69.3	171.9	179.1	172.6	0	114.7	S666 S672 D692	S666-K695 WeakPolarHBondContact CA-O 3.39Å; S666-K695 WeakPolarHBondContact CB-O 3.21Å; S672-K695 PolarHBondContact OG-NZ 2.86Å; D692-K695 HydrophobicContact CB-CD 4.26Å; D692-K695 PolarHBondContact O-N 3.18Å; D692-K695 WeakPolarHBondContact OD2-CD 3.45Å; D692-K695 WeakPolarHBondContact OD2-CE 3.47Å; D692-K695 WeakPolarHBondContact OD2-CG 3.39Å; D692-K695 IonicContact OD2-NZ 3.29Å
696	V	91	Very high	88.2	Confident	19 Å²	19	60.4 Å²	60.4	12%	0.115	31%	0.311	C	S	.	.	S	Bend	trans	-78.9	132.5	178.5	174.6	0	0	0	0	109.7	M665 L693 S694 S698 C700 K705 M708	M665-V696 HydrophobicContact CB-CG1 4.19Å; L693-V696 WeakPolarHBondContact O-CG2 3.42Å; S694-V696 PolarHBondContact O-N 3.18Å; V696-S698 PolarHBondContact O-N 3.14Å; V696-C700 HydrophobicContact CG1-CB 3.4Å; V696-C700 VanDerWaalsContact CG1-CB 3.4Å; V696-C700 VanDerWaalsContact CG1-SG 3.59Å; V696-K705 HydrophobicContact CG1-CD 4.42Å; V696-M708 HydrophobicContact CG2-CE 3.4Å; V696-M708 VanDerWaalsContact CG2-CE 3.4Å
697	R	88.8	Confident	88.2	Confident	88 Å²	88	53.3 Å²	53.3	33%	0.332	29%	0.285	S	S	.	.			trans	-55.7	140.8	-177.9	-63.5	-176.2	-163.2	97.4	-8.3	111.9	L664 M665 S666 N699 C700	L664-R697 PolarHBondContact O-NH1 2.87Å; M665-R697 WeakPolarHBondContact O-CG 3.29Å; M665-R697 PolarHBondContact O-N 3.3Å; M665-R697 PolarHBondContact O-NH1 3.24Å; S666-R697 PolarHBondContact O-NE 3.28Å; S666-R697 PolarHBondContact O-NH2 3.31Å; R697-N699 WeakPolarHBondContact CB-OD1 3.47Å; R697-N699 PolarHBondContact O-N 3Å; R697-N699 VanDerWaalsContact O-N 3.12Å; R697-C700 WeakPolarHBondContact O-CB 3.33Å; R697-C700 PolarHBondContact O-N 2.82Å
698	S	86.7	Confident	88.6	Confident	135 Å²	135	52.5 Å²	52.5	94%	0.944	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.3	-175.8	56	0	0	0	0	114.9	V696 C700	V696-S698 PolarHBondContact O-N 3.14Å; S698-C700 VanDerWaalsContact C-N 3.34Å
699	N	84	Confident	88.8	Confident	91 Å²	91	46.3 Å²	46.3	49%	0.487	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	1.6	173.4	67.7	-10.7	0	0	0	114	M565 R697 P701	M565-N699 VanDerWaalsContact CE-OD1 3.27Å; M565-N699 WeakPolarHBondContact CE-OD1 3.44Å; R697-N699 WeakPolarHBondContact CB-OD1 3.47Å; R697-N699 PolarHBondContact O-N 3Å; R697-N699 VanDerWaalsContact O-N 3.12Å; N699-P701 WeakPolarHBondContact O-CD 3.42Å
700	C	87.7	Confident	88.8	Confident	16 Å²	16	46.6 Å²	46.6	11%	0.108	26%	0.261	C	S	.	.	S	Bend	trans	-67.5	125.7	174.5	-177.6	0	0	0	0	110.5	M565 M665 V696 R697 S698 K702	M565-C700 HydrophobicContact CE-CB 4.21Å; M665-C700 VanDerWaalsContact SD-SG 3.7Å; V696-C700 HydrophobicContact CG1-CB 3.4Å; V696-C700 VanDerWaalsContact CG1-CB 3.4Å; V696-C700 VanDerWaalsContact CG1-SG 3.59Å; R697-C700 WeakPolarHBondContact O-CB 3.33Å; R697-C700 PolarHBondContact O-N 2.82Å; S698-C700 VanDerWaalsContact C-N 3.34Å; C700-K702 PolarHBondContact O-N 3.03Å
701	P	85.8	Confident	89.1	Confident	21 Å²	21	44.4 Å²	44.4	14%	0.136	25%	0.245	C	C	.	.			trans	-65.2	133.3	179.5	-22.5	35.1	0	0	0	111.5	I569 N699 A703 M704 K705 L732 L736	I569-P701 HydrophobicContact CD1-CG 3.89Å; N699-P701 WeakPolarHBondContact O-CD 3.42Å; P701-A703 PolarHBondContact O-N 2.79Å; P701-M704 WeakPolarHBondContact O-CA 3.26Å; P701-M704 WeakPolarHBondContact O-CB 3.28Å; P701-M704 PolarHBondContact O-N 3.44Å; P701-K705 PolarHBondContact O-N 3.05Å; P701-L732 HydrophobicContact CB-CD1 3.65Å; P701-L732 HydrophobicContact CB-CD2 4.07Å; P701-L732 HydrophobicContact CB-CG 4.47Å; P701-L732 HydrophobicContact CG-CD1 4.09Å; P701-L732 HydrophobicContact CG-CD2 4.27Å; P701-L736 HydrophobicContact CG-CD1 4.43Å; P701-L736 HydrophobicContact CG-CD2 3.8Å
702	K	81.1	Confident	89.3	Confident	118 Å²	118	44.6 Å²	44.6	51%	0.513	25%	0.245	S	C	.	.	H	α-helix	trans	-51.7	-30.4	179.5	-63.3	-164.3	176.4	-137.6	0	114.2	N296 D298 C700 R706	N296-K702 PolarHBondContact ND2-NZ 3.47Å; N296-K702 PolarHBondContact OD1-NZ 2.83Å; D298-K702 VanDerWaalsContact OD2-CE 3.32Å; D298-K702 WeakPolarHBondContact OD2-CE 3.4Å; D298-K702 IonicContact OD2-NZ 2.71Å; D298-K702 PolarHBondContact OD2-NZ 2.81Å; C700-K702 PolarHBondContact O-N 3.03Å; K702-R706 WeakPolarHBondContact O-CB 3.25Å; K702-R706 PolarHBondContact O-N 3.34Å
703	A	81.8	Confident	89.5	Confident	49 Å²	49	45.4 Å²	45.4	41%	0.405	25%	0.246	S	C	.	.	H	α-helix	trans	-68.7	-33.2	174.8	0	0	0	0	0	113.5	P701 L707 L732	P701-A703 PolarHBondContact O-N 2.79Å; A703-L707 WeakPolarHBondContact O-CB 3.45Å; A703-L707 PolarHBondContact O-N 3.29Å; A703-L732 HydrophobicContact CB-CD1 4.28Å
704	M	89.2	Confident	89.7	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-71.8	-47.1	172.7	-174.3	58.6	90	0	0	110.6	I569 A572 L661 M665 P701 R706 L707 M708 I729 L732	I569-M704 HydrophobicContact CB-CE 4.42Å; I569-M704 HydrophobicContact CG1-CE 3.86Å; I569-M704 HydrophobicContact CG2-CE 4.21Å; A572-M704 HydrophobicContact CB-CE 4.11Å; L661-M704 HydrophobicContact CD1-SD 4.2Å; L661-M704 HydrophobicContact CD2-CE 4.33Å; L661-M704 HydrophobicContact CD2-SD 3.86Å; M665-M704 HydrophobicContact CE-CE 4.08Å; M665-M704 HydrophobicContact CE-CG 3.98Å; M665-M704 HydrophobicContact CG-CG 3.97Å; M665-M704 HydrophobicContact SD-CG 3.81Å; P701-M704 WeakPolarHBondContact O-CA 3.26Å; P701-M704 WeakPolarHBondContact O-CB 3.28Å; P701-M704 PolarHBondContact O-N 3.44Å; M704-R706 VanDerWaalsContact C-N 3.29Å; M704-R706 PolarHBondContact O-N 2.78Å; M704-L707 PolarHBondContact O-N 2.75Å; M704-L707 VanDerWaalsContact O-N 3.08Å; M704-L707 HydrophobicContact SD-CD2 4.29Å; M704-M708 WeakPolarHBondContact O-CB 3.45Å; M704-M708 PolarHBondContact O-N 2.8Å; M704-I729 HydrophobicContact CE-CG1 4.24Å; M704-I729 HydrophobicContact CE-CG2 4.31Å; M704-L732 HydrophobicContact CB-CD2 3.69Å; M704-L732 HydrophobicContact CE-CD2 4.25Å
705	K	87.5	Confident	89.9	Confident	33 Å²	33	52.1 Å²	52.1	14%	0.143	27%	0.267	C	S	.	.	H	α-helix	trans	-58	-40.3	176.3	-173.2	175.6	169.3	-172.8	0	112.1	D298 L693 V696 P701 M708 A709	D298-K705 VanDerWaalsContact OD1-CD 3.3Å; D298-K705 WeakPolarHBondContact OD1-CD 3.36Å; D298-K705 VanDerWaalsContact OD1-CE 3.3Å; D298-K705 WeakPolarHBondContact OD1-CE 2.95Å; D298-K705 IonicContact OD1-NZ 3.89Å; D298-K705 PolarHBondContact OD1-NZ 2.85Å; L693-K705 WeakPolarHBondContact O-CE 3.32Å; L693-K705 PolarHBondContact O-NZ 2.86Å; V696-K705 HydrophobicContact CG1-CD 4.42Å; P701-K705 PolarHBondContact O-N 3.05Å; K705-M708 HydrophobicContact CG-CE 4.26Å; K705-A709 PolarHBondContact O-N 2.84Å
706	R	86.6	Confident	90.1	Very high	60 Å²	60	52 Å²	52	23%	0.226	26%	0.264	C	S	.	.	H	α-helix	trans	-64.7	-43.8	171.8	-179.2	163.3	65.2	108.3	-10.8	113	D263 C278 G279 K702 M704 M708 A709 D710	D263-R706 IonicContact OD2-CZ 3.7Å; D263-R706 IonicContact OD2-NH1 3.82Å; D263-R706 PolarHBondContact OD2-NH1 3.08Å; D263-R706 IonicContact OD2-NH2 2.73Å; D263-R706 PolarHBondContact OD2-NH2 3.4Å; C278-R706 PolarHBondContact O-NH2 2.86Å; G279-R706 PolarHBondContact O-NH2 3.24Å; K702-R706 WeakPolarHBondContact O-CB 3.25Å; K702-R706 PolarHBondContact O-N 3.34Å; M704-R706 VanDerWaalsContact C-N 3.29Å; M704-R706 PolarHBondContact O-N 2.78Å; R706-M708 VanDerWaalsContact C-N 3.32Å; R706-M708 PolarHBondContact O-N 2.59Å; R706-A709 PolarHBondContact O-N 3.04Å; R706-D710 PolarHBondContact O-N 2.91Å
707	L	91.3	Very high	90.3	Very high	15 Å²	15	57.3 Å²	57.3	8%	0.079	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-41.1	177.6	178	61.6	0	0	0	111.9	L661 A703 M704 D710 C711 I725 I729	L661-L707 HydrophobicContact CD1-CG 4.49Å; A703-L707 WeakPolarHBondContact O-CB 3.45Å; A703-L707 PolarHBondContact O-N 3.29Å; M704-L707 PolarHBondContact O-N 2.75Å; M704-L707 VanDerWaalsContact O-N 3.08Å; M704-L707 HydrophobicContact SD-CD2 4.29Å; L707-D710 WeakPolarHBondContact O-CB 3.45Å; L707-D710 PolarHBondContact O-N 3.47Å; L707-C711 PolarHBondContact O-N 3.03Å; L707-C711 PolarHBondContact O-SG 3.25Å; L707-I725 HydrophobicContact CD1-CB 4.49Å; L707-I725 HydrophobicContact CD1-CG1 4.3Å; L707-I725 HydrophobicContact CD1-CG2 4.39Å; L707-I725 HydrophobicContact CD2-CG2 4.19Å; L707-I729 HydrophobicContact CD2-CD1 4.11Å; L707-I729 HydrophobicContact CD2-CG1 3.45Å; L707-I729 VanDerWaalsContact CD2-CG1 3.45Å
708	M	95.9	Very high	90.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.5	-45.1	175	-177.8	169.5	76.1	0	0	111.8	L661 Y662 M665 L693 V696 M704 K705 R706 D710 C711 L712	L661-M708 HydrophobicContact CB-CB 4.17Å; L661-M708 HydrophobicContact CB-CG 3.84Å; L661-M708 HydrophobicContact CB-SD 3.9Å; L661-M708 HydrophobicContact CD1-CB 4.1Å; Y662-M708 WeakPolarHBondContact CA-SD 3.48Å; Y662-M708 PolarHBondContact N-SD 3.13Å; Y662-M708 VanDerWaalsContact N-SD 3.38Å; M665-M708 HydrophobicContact CB-SD 4.28Å; M665-M708 HydrophobicContact CG-SD 4.4Å; L693-M708 HydrophobicContact CD2-CE 3.89Å; V696-M708 HydrophobicContact CG2-CE 3.4Å; V696-M708 VanDerWaalsContact CG2-CE 3.4Å; M704-M708 WeakPolarHBondContact O-CB 3.45Å; M704-M708 PolarHBondContact O-N 2.8Å; K705-M708 HydrophobicContact CG-CE 4.26Å; R706-M708 VanDerWaalsContact C-N 3.32Å; R706-M708 PolarHBondContact O-N 2.59Å; M708-D710 PolarHBondContact O-N 3.39Å; M708-C711 PolarHBondContact O-N 3.45Å; M708-L712 HydrophobicContact CG-CD1 3.96Å; M708-L712 WeakPolarHBondContact O-CB 3.35Å; M708-L712 VanDerWaalsContact O-CG 3.28Å; M708-L712 WeakPolarHBondContact O-CG 3.49Å; M708-L712 PolarHBondContact O-N 3.34Å
709	A	92.3	Very high	90.9	Very high	30 Å²	30	50.9 Å²	50.9	25%	0.248	25%	0.246	C	C	.	.	H	α-helix	trans	-62.7	-38	173.2	0	0	0	0	0	113.1	L693 K705 R706 L712 K713	L693-A709 HydrophobicContact CD1-CB 3.79Å; K705-A709 PolarHBondContact O-N 2.84Å; R706-A709 PolarHBondContact O-N 3.04Å; A709-L712 PolarHBondContact O-N 3.27Å; A709-K713 PolarHBondContact O-N 3.18Å
710	D	92.1	Very high	91.4	Very high	32 Å²	32	46.6 Å²	46.6	17%	0.171	22%	0.224	C	C	.	.	H	α-helix	trans	-63.1	-38.5	173.5	-103.8	39.3	0	0	0	112	R266 R706 L707 M708 K713 P720	R266-D710 IonicContact CZ-OD2 2.68Å; R266-D710 VanDerWaalsContact CZ-OD2 3.27Å; R266-D710 IonicContact NH1-OD2 2.93Å; R266-D710 PolarHBondContact NH1-OD2 3.21Å; R266-D710 IonicContact NH2-OD2 2.8Å; R266-D710 PolarHBondContact NH2-OD2 2.87Å; R706-D710 PolarHBondContact O-N 2.91Å; L707-D710 WeakPolarHBondContact O-CB 3.45Å; L707-D710 PolarHBondContact O-N 3.47Å; M708-D710 PolarHBondContact O-N 3.39Å; D710-K713 WeakPolarHBondContact O-CG 3.49Å; D710-P720 HydrophobicContact CB-CG 4.26Å; D710-P720 WeakPolarHBondContact O-CD 3.38Å
711	C	97.8	Very high	91.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-71.4	-34.1	174.8	-66.5	0	0	0	0	112.8	V654 L707 M708 K713 R719	V654-C711 HydrophobicContact CG1-CB 3.92Å; L707-C711 PolarHBondContact O-N 3.03Å; L707-C711 PolarHBondContact O-SG 3.25Å; M708-C711 PolarHBondContact O-N 3.45Å; C711-K713 VanDerWaalsContact C-N 3.3Å; C711-K713 PolarHBondContact O-N 3.44Å; C711-R719 VanDerWaalsContact O-CD 3.26Å; C711-R719 WeakPolarHBondContact O-CD 3.49Å; C711-R719 WeakPolarHBondContact O-CG 3.47Å
712	L	97.6	Very high	92.5	Very high	15 Å²	15	47.6 Å²	47.6	8%	0.079	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	9.5	-175.4	-70.2	171.8	0	0	0	114.6	Y655 I659 P691 L693 M708 A709 K714	Y655-L712 HydrophobicContact CD2-CD2 4.17Å; Y655-L712 HydrophobicContact CE1-CD2 4.47Å; Y655-L712 HydrophobicContact CE2-CB 4.47Å; Y655-L712 HydrophobicContact CE2-CD2 3.91Å; I659-L712 HydrophobicContact CD1-CD2 3.54Å; I659-L712 HydrophobicContact CG1-CD2 3.81Å; P691-L712 HydrophobicContact CB-CD1 4.17Å; P691-L712 HydrophobicContact CG-CD1 4Å; P691-L712 HydrophobicContact CG-CD2 4.14Å; L693-L712 HydrophobicContact CD2-CD1 4.18Å; M708-L712 HydrophobicContact CG-CD1 3.96Å; M708-L712 WeakPolarHBondContact O-CB 3.35Å; M708-L712 VanDerWaalsContact O-CG 3.28Å; M708-L712 WeakPolarHBondContact O-CG 3.49Å; M708-L712 PolarHBondContact O-N 3.34Å; A709-L712 PolarHBondContact O-N 3.27Å; L712-K714 PolarHBondContact O-N 2.71Å
713	K	95.1	Very high	93.1	Very high	69 Å²	69	44.9 Å²	44.9	30%	0.3	22%	0.221	S	C	.	.			trans	-56.2	132	179.3	-70.2	-64.8	-160.7	134	0	112.5	A709 D710 C711 K715 E718 R719	A709-K713 PolarHBondContact O-N 3.18Å; D710-K713 WeakPolarHBondContact O-CG 3.49Å; C711-K713 VanDerWaalsContact C-N 3.3Å; C711-K713 PolarHBondContact O-N 3.44Å; K713-K715 VanDerWaalsContact C-N 3.3Å; K713-K715 WeakPolarHBondContact CB-O 3.32Å; K713-K715 PolarHBondContact O-N 3.12Å; K713-E718 HydrophobicContact CB-CB 3.94Å; K713-E718 HydrophobicContact CD-CB 4.49Å; K713-E718 WeakPolarHBondContact CD-OE2 3.36Å; K713-E718 WeakPolarHBondContact CE-OE2 3.48Å; K713-E718 HydrophobicContact CG-CB 3.89Å; K713-E718 IonicContact NZ-OE2 2.77Å; K713-E718 PolarHBondContact NZ-OE2 3.38Å; K713-R719 HydrophobicContact CB-CG 3.95Å; K713-R719 PolarHBondContact O-NE 2.8Å; K713-R719 PolarHBondContact O-NH2 2.91Å
714	K	93	Very high	93.6	Very high	102 Å²	102	44.2 Å²	44.2	44%	0.443	21%	0.209	S	C	.	.	S	Bend	trans	-58.6	-41.1	178.7	-65.3	176.1	-177.8	177.5	0	111.9	G687 S690 L712 R719	G687-K714 VanDerWaalsContact O-CE 3.25Å; G687-K714 WeakPolarHBondContact O-CE 3.23Å; G687-K714 PolarHBondContact O-NZ 2.67Å; S690-K714 WeakPolarHBondContact OG-CE 3.41Å; L712-K714 PolarHBondContact O-N 2.71Å; K714-R719 PolarHBondContact O-NH2 3.44Å
715	K	92.5	Very high	93.9	Very high	121 Å²	121	44.1 Å²	44.1	53%	0.526	21%	0.209	S	C	.	.	S	Bend	trans	-79.7	129.2	168.7	-79.3	175.8	173.6	179.2	0	110.6	K713 E717 E718	K713-K715 VanDerWaalsContact C-N 3.3Å; K713-K715 WeakPolarHBondContact CB-O 3.32Å; K713-K715 PolarHBondContact O-N 3.12Å; K715-E717 WeakPolarHBondContact CB-OE1 3.46Å; K715-E717 WeakPolarHBondContact CD-OE1 3.38Å; K715-E717 WeakPolarHBondContact CG-OE1 3.4Å; K715-E718 HydrophobicContact CB-CG 4.08Å; K715-E718 WeakPolarHBondContact CD-OE1 3.38Å
716	R	94.8	Very high	94.2	Very high	76 Å²	76	43.5 Å²	43.5	29%	0.287	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-70.8	-35.2	-175.6	65.3	171.5	167.7	-133.9	-16.1	112.6	D644 Q651 E718 R719	D644-R716 IonicContact OD1-NH2 2.68Å; D644-R716 IonicContact OD2-CZ 3.71Å; D644-R716 IonicContact OD2-NH1 2.8Å; D644-R716 PolarHBondContact OD2-NH1 3.35Å; D644-R716 IonicContact OD2-NH2 3.8Å; D644-R716 PolarHBondContact OD2-NH2 3.01Å; Q651-R716 HydrophobicContact CB-CB 3.82Å; Q651-R716 HydrophobicContact CG-CB 4.47Å; Q651-R716 WeakPolarHBondContact CG-O 3.5Å; R716-E718 PolarHBondContact O-N 2.73Å; R716-R719 VanDerWaalsContact O-CB 3.31Å; R716-R719 WeakPolarHBondContact O-CB 3.44Å; R716-R719 WeakPolarHBondContact O-CG 3.36Å; R716-R719 PolarHBondContact O-N 2.92Å; R716-R719 VanDerWaalsContact O-N 3.1Å
717	E	94.1	Very high	94.3	Very high	131 Å²	131	41.1 Å²	41.1	61%	0.612	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-69.4	-16.5	-177.7	62	-80.7	-175.4	0	0	114.1	K715	K715-E717 WeakPolarHBondContact CB-OE1 3.46Å; K715-E717 WeakPolarHBondContact CD-OE1 3.38Å; K715-E717 WeakPolarHBondContact CG-OE1 3.4Å
718	E	91.8	Very high	94.2	Very high	78 Å²	78	42 Å²	42	36%	0.364	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-80.4	-21.9	171.6	-65.8	-176.2	-156.1	0	0	112.8	R266 K713 K715 R716	R266-E718 PolarHBondContact NH2-O 3.13Å; K713-E718 HydrophobicContact CB-CB 3.94Å; K713-E718 HydrophobicContact CD-CB 4.49Å; K713-E718 WeakPolarHBondContact CD-OE2 3.36Å; K713-E718 WeakPolarHBondContact CE-OE2 3.48Å; K713-E718 HydrophobicContact CG-CB 3.89Å; K713-E718 IonicContact NZ-OE2 2.77Å; K713-E718 PolarHBondContact NZ-OE2 3.38Å; K715-E718 HydrophobicContact CB-CG 4.08Å; K715-E718 WeakPolarHBondContact CD-OE1 3.38Å; R716-E718 PolarHBondContact O-N 2.73Å
719	R	97.2	Very high	94.1	Very high	10 Å²	10	42.1 Å²	42.1	4%	0.038	21%	0.208	C	C	.	.	S	Bend	trans	-71	137.2	-174.2	-56.8	176.8	-163.4	141.9	12.6	111.1	E638 Q651 V654 C711 K713 K714 R716	E638-R719 IonicContact OE1-CZ 3.99Å; E638-R719 IonicContact OE1-NH1 3.15Å; E638-R719 PolarHBondContact OE1-NH1 3.05Å; E638-R719 IonicContact OE1-NH2 3.34Å; E638-R719 IonicContact OE2-CZ 2.66Å; E638-R719 IonicContact OE2-NH1 2.74Å; E638-R719 IonicContact OE2-NH2 2.84Å; E638-R719 PolarHBondContact OE2-NH2 3.36Å; Q651-R719 WeakPolarHBondContact O-CD 3.42Å; Q651-R719 PolarHBondContact O-NH1 2.91Å; V654-R719 HydrophobicContact CG1-CB 3.98Å; C711-R719 VanDerWaalsContact O-CD 3.26Å; C711-R719 WeakPolarHBondContact O-CD 3.49Å; C711-R719 WeakPolarHBondContact O-CG 3.47Å; K713-R719 HydrophobicContact CB-CG 3.95Å; K713-R719 PolarHBondContact O-NE 2.8Å; K713-R719 PolarHBondContact O-NH2 2.91Å; K714-R719 PolarHBondContact O-NH2 3.44Å; R716-R719 VanDerWaalsContact O-CB 3.31Å; R716-R719 WeakPolarHBondContact O-CB 3.44Å; R716-R719 WeakPolarHBondContact O-CG 3.36Å; R716-R719 PolarHBondContact O-N 2.92Å; R716-R719 VanDerWaalsContact O-N 3.1Å
720	P	95.3	Very high	93.9	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.013	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-68.3	161	173.8	30.8	-35.5	0	0	0	111.4	V654 D710 Q724 I725	V654-P720 WeakPolarHBondContact CG1-O 3.48Å; V654-P720 WeakPolarHBondContact CG2-O 3.36Å; D710-P720 HydrophobicContact CB-CG 4.26Å; D710-P720 WeakPolarHBondContact O-CD 3.38Å; P720-Q724 HydrophobicContact CB-CB 4.22Å; P720-I725 HydrophobicContact CB-CG1 4.04Å; P720-I725 HydrophobicContact CG-CD1 4.18Å; P720-I725 HydrophobicContact CG-CG1 3.74Å
721	L	97.2	Very high	93.6	Very high	58 Å²	58	43.3 Å²	43.3	30%	0.304	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-96.3	159.4	170.2	-65.8	177.8	0	0	0	111.2	F650 Q651 P723 Q724 I725	F650-L721 HydrophobicContact CB-CD2 3.93Å; Q651-L721 HydrophobicContact CG-CD2 4.4Å; L721-P723 VanDerWaalsContact C-N 3.32Å; L721-P723 VanDerWaalsContact O-N 3.1Å; L721-Q724 WeakPolarHBondContact O-CA 3.09Å; L721-Q724 WeakPolarHBondContact O-CB 3.47Å; L721-Q724 PolarHBondContact O-N 3.31Å; L721-I725 PolarHBondContact O-N 3.41Å; L721-I725 VanDerWaalsContact O-N 3.12Å
722	F	98	Very high	93	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-50.8	-34.2	-175.1	-79.6	-78.9	0	0	0	116.7	A576 M579 D580 H583 D653 V654 F657 Q724 I725 L726	A576-F722 HydrophobicContact CB-CD1 4.16Å; A576-F722 HydrophobicContact CB-CE1 4.48Å; M579-F722 HydrophobicContact CB-CD1 3.61Å; M579-F722 HydrophobicContact CB-CD2 3.9Å; M579-F722 HydrophobicContact CB-CE1 3.4Å; M579-F722 HydrophobicContact CB-CE2 3.69Å; M579-F722 HydrophobicContact CB-CG 3.85Å; M579-F722 HydrophobicContact CB-CZ 3.44Å; M579-F722 VanDerWaalsContact CB-CZ 3.44Å; M579-F722 HydrophobicContact CE-CE2 4.07Å; M579-F722 HydrophobicContact CE-CZ 4.28Å; M579-F722 HydrophobicContact CG-CE1 3.93Å; M579-F722 HydrophobicContact CG-CE2 4.29Å; M579-F722 HydrophobicContact CG-CZ 3.75Å; D580-F722 HydrophobicContact CB-CB 3.89Å; H583-F722 AromaticContact CE1-CD2 3.5Å; H583-F722 VanDerWaalsContact CE1-CD2 3.5Å; H583-F722 WeakPolarHBondContact CE1-CD2 3.33Å; H583-F722 AromaticContact CE1-CE2 3.53Å; H583-F722 AromaticContact ND1-CD2 3.43Å; H583-F722 WeakPolarHBondContact ND1-CD2 3.47Å; H583-F722 AromaticContact ND1-CE2 3.98Å; D653-F722 HydrophobicContact CB-CE2 4.44Å; V654-F722 HydrophobicContact CB-CE2 4.48Å; V654-F722 HydrophobicContact CG2-CD2 3.8Å; V654-F722 HydrophobicContact CG2-CE2 3.47Å; V654-F722 VanDerWaalsContact CG2-CE2 3.47Å; V654-F722 HydrophobicContact CG2-CZ 4.09Å; F657-F722 HydrophobicContact CB-CE1 4.1Å; F657-F722 HydrophobicContact CB-CZ 3.73Å; F657-F722 AromaticContact CD1-CE1 3.87Å; F657-F722 HydrophobicContact CD1-CE1 3.87Å; F657-F722 HydrophobicContact CD1-CZ 4.29Å; F657-F722 HydrophobicContact CD2-CE1 4.06Å; F657-F722 HydrophobicContact CD2-CZ 4.45Å; F657-F722 HydrophobicContact CE1-CE1 4.34Å; F657-F722 AromaticContact CG-CE1 3.72Å; F657-F722 HydrophobicContact CG-CE1 3.72Å; F657-F722 AromaticContact CG-CZ 3.9Å; F657-F722 HydrophobicContact CG-CZ 3.9Å; F722-Q724 PolarHBondContact O-N 3.07Å; F722-I725 HydrophobicContact CD1-CB 4.49Å; F722-I725 HydrophobicContact CD1-CD1 4.08Å; F722-I725 HydrophobicContact CD1-CG2 4.49Å; F722-I725 HydrophobicContact CE1-CD1 4.22Å; F722-I725 HydrophobicContact CG-CD1 4.31Å; F722-I725 PolarHBondContact O-N 3.26Å; F722-L726 VanDerWaalsContact O-CB 3.27Å; F722-L726 WeakPolarHBondContact O-CB 2.72Å; F722-L726 PolarHBondContact O-N 3.39Å
723	P	94.2	Very high	92.3	Very high	61 Å²	61	44.7 Å²	44.7	40%	0.396	22%	0.221	S	C	.	.	H	α-helix	trans	-61.3	-31.4	174	-24.1	32.8	0	0	0	113.6	F261 D580 L721 A727	F261-P723 WeakPolarHBondContact CE2-O 3.43Å; D580-P723 WeakPolarHBondContact OD1-CD 3.43Å; D580-P723 WeakPolarHBondContact OD1-CG 3.48Å; D580-P723 VanDerWaalsContact OD1-N 3.11Å; L721-P723 VanDerWaalsContact C-N 3.32Å; L721-P723 VanDerWaalsContact O-N 3.1Å; P723-A727 VanDerWaalsContact O-CB 3.31Å; P723-A727 WeakPolarHBondContact O-CB 3.37Å; P723-A727 PolarHBondContact O-N 2.96Å
724	Q	91.7	Very high	91.6	Very high	34 Å²	34	47.8 Å²	47.8	16%	0.159	23%	0.231	C	C	.	.	H	α-helix	trans	-84.7	-35.6	179.5	-59.4	161.4	19.1	0	0	111.2	F261 P720 L721 F722 S728	F261-Q724 HydrophobicContact CB-CG 4.48Å; F261-Q724 HydrophobicContact CD1-CG 4.22Å; F261-Q724 HydrophobicContact CD2-CB 4.34Å; F261-Q724 HydrophobicContact CD2-CG 4.13Å; F261-Q724 HydrophobicContact CE2-CG 4.43Å; F261-Q724 HydrophobicContact CG-CG 4.02Å; P720-Q724 HydrophobicContact CB-CB 4.22Å; L721-Q724 WeakPolarHBondContact O-CA 3.09Å; L721-Q724 WeakPolarHBondContact O-CB 3.47Å; L721-Q724 PolarHBondContact O-N 3.31Å; F722-Q724 PolarHBondContact O-N 3.07Å; Q724-S728 WeakPolarHBondContact O-CB 3.37Å; Q724-S728 PolarHBondContact O-N 3.48Å; Q724-S728 VanDerWaalsContact O-N 3.11Å; Q724-S728 PolarHBondContact O-OG 2.92Å
725	I	96.4	Very high	90.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.2	-55.9	174	-62.6	172.6	0	0	0	109.3	A576 V654 F657 L707 P720 L721 F722 A727 S728 I729	A576-I725 HydrophobicContact CB-CG2 4.34Å; V654-I725 HydrophobicContact CB-CD1 4.4Å; V654-I725 HydrophobicContact CG1-CD1 3.79Å; V654-I725 HydrophobicContact CG2-CD1 3.8Å; F657-I725 HydrophobicContact CD1-CD1 4.44Å; F657-I725 HydrophobicContact CD1-CG2 4.15Å; F657-I725 HydrophobicContact CE1-CG2 3.46Å; F657-I725 VanDerWaalsContact CE1-CG2 3.46Å; F657-I725 HydrophobicContact CZ-CG2 4.21Å; L707-I725 HydrophobicContact CD1-CB 4.49Å; L707-I725 HydrophobicContact CD1-CG1 4.3Å; L707-I725 HydrophobicContact CD1-CG2 4.39Å; L707-I725 HydrophobicContact CD2-CG2 4.19Å; P720-I725 HydrophobicContact CB-CG1 4.04Å; P720-I725 HydrophobicContact CG-CD1 4.18Å; P720-I725 HydrophobicContact CG-CG1 3.74Å; L721-I725 PolarHBondContact O-N 3.41Å; L721-I725 VanDerWaalsContact O-N 3.12Å; F722-I725 HydrophobicContact CD1-CB 4.49Å; F722-I725 HydrophobicContact CD1-CD1 4.08Å; F722-I725 HydrophobicContact CD1-CG2 4.49Å; F722-I725 HydrophobicContact CE1-CD1 4.22Å; F722-I725 HydrophobicContact CG-CD1 4.31Å; F722-I725 PolarHBondContact O-N 3.26Å; I725-A727 PolarHBondContact O-N 2.88Å; I725-S728 CarbonylContact O-C 3.6Å; I725-S728 WeakPolarHBondContact O-CA 3.23Å; I725-S728 WeakPolarHBondContact O-CB 3.47Å; I725-S728 PolarHBondContact O-N 2.91Å; I725-I729 HydrophobicContact CG2-CD1 3.91Å; I725-I729 HydrophobicContact CG2-CG1 4.5Å; I725-I729 WeakPolarHBondContact O-CG1 3.25Å; I725-I729 PolarHBondContact O-N 2.96Å
726	L	94.3	Very high	89.7	Confident	20 Å²	20	42.8 Å²	42.8	11%	0.105	22%	0.22	C	C	.	.	H	α-helix	trans	-56.8	-49.1	-179.6	176.4	57	0	0	0	111.7	R573 A576 Q577 F722 S728 I729 E730	R573-L726 HydrophobicContact CG-CD1 4.05Å; A576-L726 HydrophobicContact CB-CB 4.39Å; A576-L726 HydrophobicContact CB-CD1 4.39Å; Q577-L726 HydrophobicContact CG-CD1 3.49Å; Q577-L726 VanDerWaalsContact CG-CD1 3.49Å; Q577-L726 HydrophobicContact CG-CD2 3.71Å; Q577-L726 HydrophobicContact CG-CG 4.26Å; F722-L726 VanDerWaalsContact O-CB 3.27Å; F722-L726 WeakPolarHBondContact O-CB 2.72Å; F722-L726 PolarHBondContact O-N 3.39Å; L726-S728 PolarHBondContact O-N 2.67Å; L726-I729 PolarHBondContact O-N 3.29Å; L726-I729 VanDerWaalsContact O-N 3.16Å; L726-E730 HydrophobicContact CD1-CG 4.05Å; L726-E730 PolarHBondContact O-N 2.91Å
727	A	88.2	Confident	88.1	Confident	10 Å²	10	43 Å²	43	8%	0.083	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-30.2	176.3	0	0	0	0	0	113.1	L259 F261 P723 I725 L731	L259-A727 HydrophobicContact CD2-CB 4.1Å; F261-A727 HydrophobicContact CD2-CB 3.96Å; F261-A727 HydrophobicContact CE2-CB 3.67Å; P723-A727 VanDerWaalsContact O-CB 3.31Å; P723-A727 WeakPolarHBondContact O-CB 3.37Å; P723-A727 PolarHBondContact O-N 2.96Å; I725-A727 PolarHBondContact O-N 2.88Å; A727-L731 WeakPolarHBondContact O-CB 3.47Å; A727-L731 PolarHBondContact O-N 3.46Å
728	S	89.4	Confident	86.2	Confident	34 Å²	34	47.1 Å²	47.1	24%	0.238	25%	0.247	C	C	.	.	H	α-helix	trans	-75.8	-37.9	175.7	-60	0	0	0	0	112.3	Q724 I725 L726 L732	Q724-S728 WeakPolarHBondContact O-CB 3.37Å; Q724-S728 PolarHBondContact O-N 3.48Å; Q724-S728 VanDerWaalsContact O-N 3.11Å; Q724-S728 PolarHBondContact O-OG 2.92Å; I725-S728 CarbonylContact O-C 3.6Å; I725-S728 WeakPolarHBondContact O-CA 3.23Å; I725-S728 WeakPolarHBondContact O-CB 3.47Å; I725-S728 PolarHBondContact O-N 2.91Å; L726-S728 PolarHBondContact O-N 2.67Å; S728-L732 WeakPolarHBondContact O-CB 3.43Å; S728-L732 PolarHBondContact O-N 2.94Å
729	I	92.6	Very high	84	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-68.6	-44.3	174.1	-60.1	173.2	0	0	0	110.6	I569 A572 R573 A576 F657 M704 L707 I725 L726 L731 L732 A733	I569-I729 HydrophobicContact CG2-CG2 4.12Å; A572-I729 HydrophobicContact CB-CD1 4.34Å; R573-I729 HydrophobicContact CB-CG2 3.72Å; R573-I729 HydrophobicContact CG-CG2 4.27Å; A576-I729 HydrophobicContact CB-CD1 4.02Å; F657-I729 HydrophobicContact CE1-CD1 4.32Å; F657-I729 HydrophobicContact CZ-CD1 3.94Å; M704-I729 HydrophobicContact CE-CG1 4.24Å; M704-I729 HydrophobicContact CE-CG2 4.31Å; L707-I729 HydrophobicContact CD2-CD1 4.11Å; L707-I729 HydrophobicContact CD2-CG1 3.45Å; L707-I729 VanDerWaalsContact CD2-CG1 3.45Å; I725-I729 HydrophobicContact CG2-CD1 3.91Å; I725-I729 HydrophobicContact CG2-CG1 4.5Å; I725-I729 WeakPolarHBondContact O-CG1 3.25Å; I725-I729 PolarHBondContact O-N 2.96Å; L726-I729 PolarHBondContact O-N 3.29Å; L726-I729 VanDerWaalsContact O-N 3.16Å; I729-L731 PolarHBondContact O-N 2.87Å; I729-L732 WeakPolarHBondContact O-CB 3.39Å; I729-L732 PolarHBondContact O-N 3.17Å; I729-A733 WeakPolarHBondContact O-CB 3.48Å; I729-A733 PolarHBondContact O-N 2.97Å
730	E	89.3	Confident	81.4	Confident	38 Å²	38	57.4 Å²	57.4	18%	0.178	30%	0.298	C	S	.	.	H	α-helix	trans	-64.1	-40.8	176.7	-73.3	-165.2	-171	0	0	112.5	R573 Q577 L726 L732 A733 R734	R573-E730 HydrophobicContact CG-CG 4.28Å; Q577-E730 PolarHBondContact NE2-OE1 3.23Å; L726-E730 HydrophobicContact CD1-CG 4.05Å; L726-E730 PolarHBondContact O-N 2.91Å; E730-L732 VanDerWaalsContact C-N 3.29Å; E730-L732 PolarHBondContact O-N 3.14Å; E730-A733 PolarHBondContact O-N 2.97Å; E730-R734 VanDerWaalsContact O-CG 3.24Å; E730-R734 WeakPolarHBondContact O-CG 3.18Å; E730-R734 PolarHBondContact O-N 3.46Å; E730-R734 IonicContact OE2-CZ 3.47Å; E730-R734 IonicContact OE2-NH2 3.84Å; E730-R734 PolarHBondContact OE2-NH2 3.45Å
731	L	85	Confident	79.2	Confident	50 Å²	50	66.9 Å²	66.9	26%	0.262	33%	0.333	S	S	.	.	H	α-helix	trans	-62.3	-38.5	174.2	179.4	61.7	0	0	0	111.4	A727 I729 S735	A727-L731 WeakPolarHBondContact O-CB 3.47Å; A727-L731 PolarHBondContact O-N 3.46Å; I729-L731 PolarHBondContact O-N 2.87Å; L731-S735 WeakPolarHBondContact O-CB 3.37Å; L731-S735 PolarHBondContact O-N 3Å; L731-S735 PolarHBondContact O-OG 3.23Å
732	L	84.6	Confident	76.9	Confident	11 Å²	11	69.9 Å²	69.9	6%	0.058	36%	0.359	C	S	.	.	H	α-helix	trans	-65.5	-51.6	173.9	172.9	57.3	0	0	0	111.5	I569 P701 A703 M704 S728 I729 E730 R734 S735 L736	I569-L732 HydrophobicContact CD1-CD2 4.13Å; P701-L732 HydrophobicContact CB-CD1 3.65Å; P701-L732 HydrophobicContact CB-CD2 4.07Å; P701-L732 HydrophobicContact CB-CG 4.47Å; P701-L732 HydrophobicContact CG-CD1 4.09Å; P701-L732 HydrophobicContact CG-CD2 4.27Å; A703-L732 HydrophobicContact CB-CD1 4.28Å; M704-L732 HydrophobicContact CB-CD2 3.69Å; M704-L732 HydrophobicContact CE-CD2 4.25Å; S728-L732 WeakPolarHBondContact O-CB 3.43Å; S728-L732 PolarHBondContact O-N 2.94Å; I729-L732 WeakPolarHBondContact O-CB 3.39Å; I729-L732 PolarHBondContact O-N 3.17Å; E730-L732 VanDerWaalsContact C-N 3.29Å; E730-L732 PolarHBondContact O-N 3.14Å; L732-R734 PolarHBondContact O-N 3.17Å; L732-S735 WeakPolarHBondContact CA-OG 3.26Å; L732-S735 CarbonylContact O-C 3.6Å; L732-S735 WeakPolarHBondContact O-CA 3.34Å; L732-S735 PolarHBondContact O-N 3.22Å; L732-S735 PolarHBondContact O-OG 3.46Å; L732-L736 HydrophobicContact CD1-CD1 4.36Å; L732-L736 HydrophobicContact CD1-CG 4.09Å; L732-L736 HydrophobicContact CG-CD1 4.3Å; L732-L736 PolarHBondContact O-N 3.36Å
733	A	84.4	Confident	74.7	Confident	32 Å²	32	74.8 Å²	74.8	26%	0.264	40%	0.4	S	S	.	.	H	α-helix	trans	-57.3	-35.7	-179.2	0	0	0	0	0	112.7	I569 I729 E730 S735	I569-A733 HydrophobicContact CG2-CB 4.35Å; I729-A733 WeakPolarHBondContact O-CB 3.48Å; I729-A733 PolarHBondContact O-N 2.97Å; E730-A733 PolarHBondContact O-N 2.97Å; A733-S735 VanDerWaalsContact C-N 3.34Å
734	R	80.8	Confident	72.7	Confident	135 Å²	135	77.2 Å²	77.2	51%	0.509	42%	0.419	S	S	.	.	H	α-helix	trans	-74.7	-19.9	173.5	-65.1	171.9	-159.9	-162.3	8.4	114	E730 L732	E730-R734 VanDerWaalsContact O-CG 3.24Å; E730-R734 WeakPolarHBondContact O-CG 3.18Å; E730-R734 PolarHBondContact O-N 3.46Å; E730-R734 IonicContact OE2-CZ 3.47Å; E730-R734 IonicContact OE2-NH2 3.84Å; E730-R734 PolarHBondContact OE2-NH2 3.45Å; L732-R734 PolarHBondContact O-N 3.17Å
735	S	74	Confident	70.1	Confident	75 Å²	75	84.3 Å²	84.3	52%	0.524	45%	0.452	S	S	.	.	H	α-helix	trans	-95.8	-15	179.5	72.9	0	0	0	0	114.2	L731 L732 A733	L731-S735 WeakPolarHBondContact O-CB 3.37Å; L731-S735 PolarHBondContact O-N 3Å; L731-S735 PolarHBondContact O-OG 3.23Å; L732-S735 WeakPolarHBondContact CA-OG 3.26Å; L732-S735 CarbonylContact O-C 3.6Å; L732-S735 WeakPolarHBondContact O-CA 3.34Å; L732-S735 PolarHBondContact O-N 3.22Å; L732-S735 PolarHBondContact O-OG 3.46Å; A733-S735 VanDerWaalsContact C-N 3.34Å
736	L	70.3	Confident	67.7	Low	42 Å²	42	88.6 Å²	88.6	22%	0.22	48%	0.48	C	S	.	.	S	Bend	trans	-69.4	129.7	171.3	-77.8	167.4	0	0	0	109.8	I566 I569 P701 L732 K738	I566-L736 HydrophobicContact CD1-CD1 4.39Å; I569-L736 HydrophobicContact CD1-CD1 3.53Å; P701-L736 HydrophobicContact CG-CD1 4.43Å; P701-L736 HydrophobicContact CG-CD2 3.8Å; L732-L736 HydrophobicContact CD1-CD1 4.36Å; L732-L736 HydrophobicContact CD1-CG 4.09Å; L732-L736 HydrophobicContact CG-CD1 4.3Å; L732-L736 PolarHBondContact O-N 3.36Å; L736-K738 PolarHBondContact O-N 2.98Å
737	P	61.1	Low	65.3	Low	82 Å²	82	92 Å²	92	53%	0.532	51%	0.505	S	S	.	.			trans	-69.8	123.7	175	31.6	-34.2	0	0	0	108.3	I739	P737-I739 WeakPolarHBondContact CB-O 3.49Å; P737-I739 PolarHBondContact O-N 2.98Å
738	K	54	Low	63.1	Low	216 Å²	216	98.1 Å²	98.1	94%	0.939	54%	0.536	S	S	*	.	S	Bend	trans	-61.4	-6.4	179.2	-62.5	-173	178	-173.1	0	114.3	L736	L736-K738 PolarHBondContact O-N 2.98Å
739	I	46.8	Very low	61.1	Low	121 Å²	121	103.7 Å²	103.7	62%	0.621	56%	0.563	S	S	*	*	S	Bend	trans	-138.6	130.5	176.3	-55.2	173.7	0	0	0	105.8	P737 R741	P737-I739 WeakPolarHBondContact CB-O 3.49Å; P737-I739 PolarHBondContact O-N 2.98Å; I739-R741 PolarHBondContact O-N 3.06Å; I739-R741 VanDerWaalsContact O-N 3.16Å
740	H	42.6	Very low	58.8	Low	184 Å²	184	115.1 Å²	115.1	85%	0.852	61%	0.606	S	S	*	*			trans	-61	118.1	-175.6	-153.3	-92.7	0	0	0	111
741	R	48.2	Very low	56.8	Low	200 Å²	200	115.3 Å²	115.3	76%	0.755	61%	0.613	S	S	*	*			trans	-138.6	137.2	176.9	-78.5	-173.9	168.3	146.2	-0.8	110.2	I739	I739-R741 PolarHBondContact O-N 3.06Å; I739-R741 VanDerWaalsContact O-N 3.16Å
742	S	49.9	Very low	54.5	Low	121 Å²	121	116.1 Å²	116.1	85%	0.846	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-58.9	148.1	176.7	-49	0	0	0	0	111.6	S744	S742-S744 PolarHBondContact O-N 2.89Å
743	A	51.9	Low	52.5	Low	103 Å²	103	123.6 Å²	123.6	85%	0.851	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-65	129.4	177.4	0	0	0	0	0	110.9
744	S	51.6	Low	50	Low	113 Å²	113	129.6 Å²	129.6	79%	0.79	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-75.7	156.8	170.3	59.2	0	0	0	0	111.3	S742	S742-S744 PolarHBondContact O-N 2.89Å
745	E	36.5	Very low	48	Very low	182 Å²	182	129.2 Å²	129.2	85%	0.85	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-55.4	136.5	-179.8	-161.8	170.9	-154.7	0	0	112.8
746	P	46.6	Very low	46	Very low	91 Å²	91	133.8 Å²	133.8	59%	0.591	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-75.4	141.4	-178.7	30.3	-34.8	0	0	0	112	L748	P746-L748 PolarHBondContact O-N 3.09Å; P746-L748 VanDerWaalsContact O-N 3.08Å
747	S	43.6	Very low	44.2	Very low	90 Å²	90	138.6 Å²	138.6	63%	0.629	74%	0.741	S	S	*	*			trans	-69.7	104.9	174.5	17.8	0	0	0	0	111
748	L	42.7	Very low	43.1	Very low	140 Å²	140	144 Å²	144	73%	0.733	76%	0.756	S	S	*	*			trans	-70.3	147.2	176.8	-64.8	174.5	0	0	0	112	P746	P746-L748 PolarHBondContact O-N 3.09Å; P746-L748 VanDerWaalsContact O-N 3.08Å
749	N	47.3	Very low	42.5	Very low	151 Å²	151	138.8 Å²	138.8	81%	0.807	75%	0.747	S	S	*	*			trans	50.3	82.6	166.7	-65.6	-9.1	0	0	0	117.9
750	R	44.6	Very low	42	Very low	241 Å²	241	140.6 Å²	140.6	91%	0.909	76%	0.757	S	S	*	*			trans	-136.3	30.8	153	-144.8	-178.8	-163.3	179.9	7.4	114.1
751	A	45.8	Very low	41.5	Very low	41 Å²	41	142.8 Å²	142.8	34%	0.339	76%	0.76	S	S	.	*			trans	-133.1	43.2	-174.4	0	0	0	0	0	112.5	F251 F753	F251-A751 VanDerWaalsContact O-CB 3.31Å; F251-A751 WeakPolarHBondContact O-CB 3.32Å; A751-F753 PolarHBondContact O-N 3.3Å
752	G	36.4	Very low	40.8	Very low	68 Å²	68	139.6 Å²	139.6	70%	0.701	77%	0.769	S	S	*	*			trans	-70.7	111.1	169.1	0	0	0	0	0	110.6	Q754	G752-Q754 PolarHBondContact O-N 3.21Å; G752-Q754 VanDerWaalsContact O-N 3.12Å
753	F	44	Very low	39.9	Very low	167 Å²	167	139.6 Å²	139.6	73%	0.732	77%	0.767	S	S	*	*			trans	-78.9	76.1	158	-82.9	-91	0	0	0	108.1	A751	A751-F753 PolarHBondContact O-N 3.3Å
754	Q	32.6	Very low	39	Very low	158 Å²	158	139.3 Å²	139.3	74%	0.738	76%	0.764	S	S	*	*			trans	-92.2	133.3	168.2	-70.4	-176.6	-14.2	0	0	108.8	G752	G752-Q754 PolarHBondContact O-N 3.21Å; G752-Q754 VanDerWaalsContact O-N 3.12Å
755	T	37.6	Very low	38	Very low	128 Å²	128	138.8 Å²	138.8	79%	0.785	76%	0.761	S	S	*	*	S	Bend	trans	-89.5	-7	-166.5	-36.7	0	0	0	0	113.5
756	E	33	Very low	37.9	Very low	171 Å²	171	135.7 Å²	135.7	80%	0.799	76%	0.757	S	S	*	*			trans	-96.6	-27.5	-163.5	-60.3	-69.1	107.1	0	0	114.7	F758	E756-F758 PolarHBondContact O-N 3.39Å
757	D	32.3	Very low	37.3	Very low	143 Å²	143	141 Å²	141	77%	0.765	77%	0.771	S	S	*	*			trans	-77.3	46.4	-174.8	-73.2	-29.5	0	0	0	113.7
758	F	37.1	Very low	36.9	Very low	194 Å²	194	142.2 Å²	142.2	85%	0.851	77%	0.774	S	S	*	*			trans	-102.2	39	177.5	-144.2	-88.6	0	0	0	113.2	E756	E756-F758 PolarHBondContact O-N 3.39Å
759	S	40.6	Very low	36.4	Very low	107 Å²	107	141.8 Å²	141.8	75%	0.748	78%	0.78	S	S	*	*	S	Bend	trans	-155.3	147.6	166.7	-86	0	0	0	0	112.2
760	L	37.5	Very low	35.7	Very low	159 Å²	159	142 Å²	142	83%	0.832	78%	0.779	S	S	*	*			trans	58	82.2	171	-55.2	175.8	0	0	0	116.7
761	Y	32.6	Very low	35.1	Very low	230 Å²	230	139.9 Å²	139.9	90%	0.902	78%	0.78	S	S	*	*				-168.1	104.3	128.2	-91	-58.1	0	0	0	110.9	C763	Y761-C763 PolarHBondContact O-N 2.89Å
762	S	33.4	Very low	34.4	Very low	134 Å²	134	142.6 Å²	142.6	94%	0.937	80%	0.802	S	S	*	*			trans	-84.9	89.8	173.3	-68.2	0	0	0	0	111.6
763	C	31.4	Very low	34.1	Very low	120 Å²	120	142.7 Å²	142.7	81%	0.811	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-79.2	127.1	168.2	-70.7	0	0	0	0	110.8	Y761	Y761-C763 PolarHBondContact O-N 2.89Å
764	A	31.3	Very low	33.4	Very low	97 Å²	97	138.4 Å²	138.4	80%	0.802	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-68.1	144	-171.9	0	0	0	0	0	113.4
765	S	30.4	Very low	33.4	Very low	103 Å²	103	142.3 Å²	142.3	72%	0.72	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-62.6	140.1	171.5	-174.8	0	0	0	0	110.8	K767	S765-K767 PolarHBondContact O-N 3.16Å
766	P	36.2	Very low	33	Very low	117 Å²	117	139.8 Å²	139.8	76%	0.76	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-55.4	124.1	167.6	-22.7	33.6	0	0	0	109.7	T768	P766-T768 PolarHBondContact O-N 3.41Å
767	K	33.7	Very low	32.8	Very low	203 Å²	203	141.1 Å²	141.1	88%	0.883	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-72.6	120.4	-179.9	-67.5	-178.6	179.9	178.3	0	109.5	S765	S765-K767 PolarHBondContact O-N 3.16Å
768	T	33.7	Very low	32.7	Very low	115 Å²	115	144.1 Å²	144.1	71%	0.706	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-65.6	145.5	159.3	39.7	0	0	0	0	109.6	P766 I770	P766-T768 PolarHBondContact O-N 3.41Å; T768-I770 PolarHBondContact O-N 3.21Å
769	P	31.9	Very low	32.2	Very low	130 Å²	130	140.8 Å²	140.8	84%	0.844	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-63.5	124.3	175.5	-21.4	33.4	0	0	0	110.9
770	I	32.8	Very low	31.7	Very low	156 Å²	156	139.8 Å²	139.8	80%	0.8	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-88	116	173.2	-64.7	171.6	0	0	0	107.9	T768 A772	T768-I770 PolarHBondContact O-N 3.21Å; I770-A772 PolarHBondContact O-N 3.12Å; I770-A772 VanDerWaalsContact O-N 3.17Å
771	Q	32.1	Very low	31.5	Very low	197 Å²	197	142 Å²	142	92%	0.921	83%	0.831	S	S	*	*			trans	-71.6	102.9	162	-85.4	-175.9	-37	0	0	108.8	G773	Q771-G773 VanDerWaalsContact C-N 3.33Å; Q771-G773 PolarHBondContact O-N 2.76Å
772	A	31.4	Very low	31.6	Very low	98 Å²	98	144.4 Å²	144.4	81%	0.81	85%	0.846	S	S	*	*			trans	-76.9	82.7	173	0	0	0	0	0	110.3	I770 G774	I770-A772 PolarHBondContact O-N 3.12Å; I770-A772 VanDerWaalsContact O-N 3.17Å; A772-G774 PolarHBondContact O-N 3.33Å; A772-G774 VanDerWaalsContact O-N 3.14Å
773	G	30.6	Very low	31.5	Very low	70 Å²	70	145 Å²	145	72%	0.722	84%	0.841	S	S	*	*			trans	-76.1	90	171.7	0	0	0	0	0	111.3	Q771	Q771-G773 VanDerWaalsContact C-N 3.33Å; Q771-G773 PolarHBondContact O-N 2.76Å
774	G	29.7	Very low	31.5	Very low	77 Å²	77	146.3 Å²	146.3	79%	0.794	84%	0.843	S	S	*	*			trans	-77.6	124.3	174.2	0	0	0	0	0	112.5	A772	A772-G774 PolarHBondContact O-N 3.33Å; A772-G774 VanDerWaalsContact O-N 3.14Å
775	Y	31.5	Very low	31.5	Very low	239 Å²	239	149 Å²	149	94%	0.937	85%	0.845	S	S	*	*			trans	-94.6	133.8	160.4	-82.3	-97.6	0	0	0	108.5
776	G	30.1	Very low	31.6	Very low	75 Å²	75	151.7 Å²	151.7	77%	0.773	85%	0.852	S	S	*	*			trans	177	49	-174.3	0	0	0	0	0	117.8
777	E	28.3	Very low	31.3	Very low	200 Å²	200	153.9 Å²	153.9	94%	0.935	86%	0.858	S	S	*	*			trans	58.9	174.5	157.4	-75.9	-175.1	113.1	0	0	121.7
778	F	30.5	Very low	31.1	Very low	205 Å²	205	150.6 Å²	150.6	90%	0.899	86%	0.856	S	S	*	*			trans	-110.6	138	-166.6	-91.4	-110.6	0	0	0	112.6
779	S	27.2	Very low	30.9	Very low	125 Å²	125	153.1 Å²	153.1	87%	0.874	87%	0.867	S	S	*	*			trans	166.6	148.3	147.6	-84.9	0	0	0	0	109.8
780	A	28.7	Very low	30.8	Very low	86 Å²	86	154.9 Å²	154.9	71%	0.711	87%	0.869	S	S	*	*			cis	-156.5	172.2	-7.6	0	0	0	0	0	110.2
781	F	34	Very low	30.7	Very low	206 Å²	206	154.8 Å²	154.8	90%	0.904	88%	0.875	S	S	*	*			trans	-16.2	125	171.7	-63.1	-94.9	0	0	0	119
782	K	33.9	Very low	30.5	Very low	280 Å²	280	151 Å²	151	100%	1.217	87%	0.87	S	S	*	*				-160	0	96.5	-112.8	177.6	179.3	177.5	0	112.9

Retrieved 782 of 782 residues in 430.8 ms (Link to these results)

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