A0A087YBG5_POEFO Loading...

ADAM metallopeptidase domain 23

AlphaFold DB , UniProt , Accession A0A087YBG5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 785 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	32.9	Very low	30.3	Very low	231 Å²	231	147.1 Å²	147.1	100%	1.138	80%	0.799	S	S	*	*				0	106.8	0	-136.5	162.4	82.9	0	0	106.6
2	H	31.2	Very low	29.8	Very low	173 Å²	173	142.9 Å²	142.9	80%	0.801	79%	0.787	S	S	*	*			trans	40.4	138.5	163	-61.6	-61.2	0	0	0	120.3
3	L	29.6	Very low	29.6	Very low	132 Å²	132	140.8 Å²	140.8	69%	0.691	78%	0.78	S	S	*	*			cis	-175.4	115.2	-5.2	-110.3	146	0	0	0	101.8
4	I	35.4	Very low	29.2	Very low	139 Å²	139	142.4 Å²	142.4	71%	0.713	79%	0.786	S	S	*	*				59.7	132.2	87.5	-63.9	-178.7	0	0	0	113.3
5	F	33.9	Very low	29	Very low	177 Å²	177	140.1 Å²	140.1	78%	0.776	78%	0.783	S	S	*	*			cis	-168.5	139.5	0.7	-120.1	-112.5	0	0	0	104.9
6	L	30.3	Very low	30.4	Very low	160 Å²	160	137.7 Å²	137.7	84%	0.838	78%	0.776	S	S	*	*				42.8	120.5	82.9	-91	162.5	0	0	0	117.9
7	A	31.9	Very low	30	Very low	81 Å²	81	142.8 Å²	142.8	67%	0.669	78%	0.78	S	S	*	*			trans	-85	151.5	173.8	0	0	0	0	0	112.4
8	T	29	Very low	29.7	Very low	137 Å²	137	143.8 Å²	143.8	84%	0.84	78%	0.783	S	S	*	*			trans	175.7	153.6	141.8	25.8	0	0	0	0	112.6
9	S	25.6	Very low	29.7	Very low	108 Å²	108	145.6 Å²	145.6	76%	0.755	79%	0.786	S	S	*	*			trans	91	116.2	158.6	-51.7	0	0	0	0	117.9
10	L	26	Very low	30	Very low	159 Å²	159	144.1 Å²	144.1	83%	0.832	78%	0.784	S	S	*	*				89.9	136.5	68	-117.9	88.7	0	0	0	113.8
11	V	27.7	Very low	29.8	Very low	121 Å²	121	141.7 Å²	141.7	73%	0.733	78%	0.778	S	S	*	*			trans	77.4	137	148.7	161.8	0	0	0	0	116.2
12	C	24.4	Very low	29.5	Very low	97 Å²	97	138.3 Å²	138.3	66%	0.655	76%	0.763	S	S	*	*			cis	-172.6	150	4.6	-110.2	0	0	0	0	110.8
13	V	26.7	Very low	29.1	Very low	115 Å²	115	134.6 Å²	134.6	70%	0.697	76%	0.762	S	S	*	*				63.6	127.1	125.1	-165.4	0	0	0	0	120.8
14	L	24.1	Very low	28.8	Very low	164 Å²	164	133.1 Å²	133.1	86%	0.859	76%	0.764	S	S	*	*				166.3	122.8	113.6	-85.7	169.2	0	0	0	113
15	S	27	Very low	28.4	Very low	107 Å²	107	131.6 Å²	131.6	75%	0.748	77%	0.765	S	S	*	*			trans	-70.1	-167.1	159.7	-25	0	0	0	0	110.9
16	P	50.9	Low	28	Very low	102 Å²	102	127.9 Å²	127.9	66%	0.662	77%	0.767	S	S	*	*			cis	-136.7	-163.7	-27.5	36.2	-14.2	0	0	0	112.6
17	W	23.8	Very low	27.8	Very low	224 Å²	224	125.5 Å²	125.5	85%	0.848	76%	0.764	S	S	*	*			trans	87.1	113	155.7	-73.3	17.1	0	0	0	120.8
18	L	23.5	Very low	28	Very low	161 Å²	161	131.3 Å²	131.3	84%	0.843	78%	0.777	S	S	*	*				164.7	122.3	103.7	-96.1	139.5	0	0	0	112
19	H	31	Very low	28.2	Very low	178 Å²	178	128 Å²	128	82%	0.824	77%	0.77	S	S	*	*			trans	-64.4	154.8	156.7	-89.3	-44.8	0	0	0	110.3
20	P	34.4	Very low	28.4	Very low	116 Å²	116	128.5 Å²	128.5	75%	0.753	77%	0.769	S	S	*	*				-147.1	136.3	81.8	28.8	-5.6	0	0	0	117.4
21	S	26.1	Very low	28.6	Very low	93 Å²	93	129.1 Å²	129.1	65%	0.65	77%	0.767	S	S	*	*			trans	21.9	134.2	131.7	54.5	0	0	0	0	123
22	L	26.3	Very low	28.9	Very low	160 Å²	160	128.9 Å²	128.9	84%	0.838	76%	0.762	S	S	*	*				139.4	130.2	111.6	-100.5	137.3	0	0	0	115.8
23	A	24.2	Very low	29.3	Very low	95 Å²	95	131.8 Å²	131.8	79%	0.785	76%	0.763	S	S	*	*			trans	68	145.1	156.1	0	0	0	0	0	117.1
24	S	23.6	Very low	29.7	Very low	102 Å²	102	131.5 Å²	131.5	71%	0.713	76%	0.761	S	S	*	*			cis	-166	153.5	11.6	136.5	0	0	0	0	108.2
25	S	27.1	Very low	30.4	Very low	107 Å²	107	130.7 Å²	130.7	75%	0.748	75%	0.753	S	S	*	*			trans	-19.4	136.3	161.3	47.5	0	0	0	0	118.8
26	A	24.6	Very low	30.8	Very low	98 Å²	98	133.4 Å²	133.4	81%	0.81	75%	0.747	S	S	*	*				161.6	147.5	106.3	0	0	0	0	0	113.5
27	S	26.1	Very low	29.9	Very low	110 Å²	110	134.1 Å²	134.1	77%	0.769	75%	0.745	S	S	*	*			trans	87.5	80.9	154.9	-172.1	0	0	0	0	119.8
28	Q	35.5	Very low	30.6	Very low	204 Å²	204	126 Å²	126	95%	0.953	73%	0.726	S	S	*	*			trans	-65.7	131.2	147	-79.6	169.2	-45.3	0	0	109.7
29	G	33.2	Very low	31.2	Very low	68 Å²	68	120.9 Å²	120.9	70%	0.701	71%	0.707	S	S	*	*	S	Bend	trans	162.6	-8	169	0	0	0	0	0	117.6
30	V	30.8	Very low	31.4	Very low	118 Å²	118	115.6 Å²	115.6	72%	0.715	69%	0.69	S	S	*	*	S	Bend	trans	-125.8	-16.3	-173	-174.4	0	0	0	0	114.6
31	E	30.8	Very low	31.3	Very low	171 Å²	171	112.8 Å²	112.8	80%	0.799	68%	0.676	S	S	*	*	H	α-helix	trans	-77.7	-25	-179.8	-79.7	170.2	148.1	0	0	114.2	K33 V34	E31-K33 PolarHBondContact O-N 2.83Å; E31-K33 VanDerWaalsContact O-N 3.1Å; E31-V34 PolarHBondContact O-N 2.68Å
32	D	32.8	Very low	31.8	Very low	116 Å²	116	113.6 Å²	113.6	62%	0.62	67%	0.673	S	S	*	*	H	α-helix	trans	-69.3	-10.3	-176.5	-96.7	-28	0	0	0	115.7	R36	D32-R36 PolarHBondContact O-NE 3.29Å; D32-R36 PolarHBondContact O-NH2 2.9Å
33	K	32.4	Very low	32.2	Very low	159 Å²	159	112.3 Å²	112.3	69%	0.691	67%	0.666	S	S	*	*	H	α-helix	trans	-99.7	-27	-178.6	-151.5	173.3	-176	-179.9	0	112.7	E31	E31-K33 PolarHBondContact O-N 2.83Å; E31-K33 VanDerWaalsContact O-N 3.1Å
34	V	35.8	Very low	32.7	Very low	108 Å²	108	115.5 Å²	115.5	66%	0.655	66%	0.662	S	S	*	*	H	α-helix	trans	-81.8	-33.4	-179.9	-178.8	0	0	0	0	111.2	E31 A38	E31-V34 PolarHBondContact O-N 2.68Å; V34-A38 PolarHBondContact O-N 3.04Å
35	E	37.8	Very low	33.1	Very low	147 Å²	147	118 Å²	118	69%	0.687	66%	0.663	S	S	*	*	H	α-helix	trans	-70.2	-31.8	175.7	-114	179.2	165	0	0	113.2	A39	E35-A39 WeakPolarHBondContact O-CB 3.37Å; E35-A39 PolarHBondContact O-N 3.26Å; E35-A39 VanDerWaalsContact O-N 3.12Å
36	R	35.8	Very low	33.4	Very low	165 Å²	165	120.7 Å²	120.7	62%	0.623	66%	0.663	S	S	*	*	H	α-helix	trans	-70.6	-38.4	178	-116.7	176.7	-69.9	175.4	-7	113	D32 S40	D32-R36 PolarHBondContact O-NE 3.29Å; D32-R36 PolarHBondContact O-NH2 2.9Å; R36-S40 PolarHBondContact O-N 3.36Å
37	D	33.5	Very low	33.9	Very low	116 Å²	116	119.9 Å²	119.9	62%	0.62	66%	0.657	S	S	*	*	H	α-helix	trans	-77	-30.2	178.4	-72.8	-20.3	0	0	0	111.9	A41	D37-A41 PolarHBondContact O-N 3.48Å
38	A	36.8	Very low	34.1	Very low	54 Å²	54	120.4 Å²	120.4	45%	0.446	66%	0.656	S	S	.	*	H	α-helix	trans	-69.3	-38.8	172.8	0	0	0	0	0	112.7	V34 A41 L42	V34-A38 PolarHBondContact O-N 3.04Å; A38-A41 PolarHBondContact O-N 2.94Å; A38-L42 PolarHBondContact O-N 3.37Å
39	A	37.3	Very low	33.9	Very low	54 Å²	54	115.1 Å²	115.1	45%	0.446	65%	0.647	S	S	.	*	H	α-helix	trans	-66.5	-37.4	175.3	0	0	0	0	0	112.5	E35 A41 L43	E35-A39 WeakPolarHBondContact O-CB 3.37Å; E35-A39 PolarHBondContact O-N 3.26Å; E35-A39 VanDerWaalsContact O-N 3.12Å; A39-A41 VanDerWaalsContact C-N 3.32Å; A39-A41 PolarHBondContact O-N 2.94Å; A39-L43 PolarHBondContact O-N 3.04Å
40	S	34.9	Very low	33.7	Very low	66 Å²	66	116.2 Å²	116.2	46%	0.462	65%	0.649	S	S	.	*	H	α-helix	trans	-71.2	-24.5	176.4	-172.1	0	0	0	0	113.5	R36	R36-S40 PolarHBondContact O-N 3.36Å
41	A	32	Very low	33.9	Very low	57 Å²	57	116.4 Å²	116.4	47%	0.471	65%	0.653	S	S	.	*	H	α-helix	trans	-79.8	-36.3	176.3	0	0	0	0	0	112.5	D37 A38 A39 K44 Q45	D37-A41 PolarHBondContact O-N 3.48Å; A38-A41 PolarHBondContact O-N 2.94Å; A39-A41 VanDerWaalsContact C-N 3.32Å; A39-A41 PolarHBondContact O-N 2.94Å; A41-K44 PolarHBondContact O-N 2.76Å; A41-Q45 PolarHBondContact O-N 3.47Å
42	L	36.5	Very low	33.9	Very low	111 Å²	111	113 Å²	113	58%	0.581	65%	0.654	S	S	*	*	H	α-helix	trans	-66.6	-38.1	173.9	-105.8	130.2	0	0	0	112.4	A38 K44 Q45 Q46	A38-L42 PolarHBondContact O-N 3.37Å; L42-K44 PolarHBondContact O-N 2.78Å; L42-Q45 PolarHBondContact O-N 3.13Å; L42-Q46 PolarHBondContact O-N 3.47Å
43	L	35.9	Very low	33.9	Very low	133 Å²	133	114.2 Å²	114.2	70%	0.696	67%	0.666	S	S	*	*	H	α-helix	trans	-63.6	-25	174.6	-96.1	153.3	0	0	0	113.9	A39	A39-L43 PolarHBondContact O-N 3.04Å
44	K	34.2	Very low	33.7	Very low	161 Å²	161	113.8 Å²	113.8	70%	0.7	67%	0.671	S	S	*	*	H	α-helix	trans	-85.8	-26.3	175.5	-86.3	179.8	175.5	175.2	0	113.6	A41 L42	A41-K44 PolarHBondContact O-N 2.76Å; L42-K44 PolarHBondContact O-N 2.78Å
45	Q	31.8	Very low	33.5	Very low	155 Å²	155	116.4 Å²	116.4	72%	0.724	68%	0.681	S	S	*	*	H	α-helix	trans	-78.9	-22.2	179.4	-99.9	177.7	-15.3	0	0	113.9	A41 L42 A47	A41-Q45 PolarHBondContact O-N 3.47Å; L42-Q45 PolarHBondContact O-N 3.13Å; Q45-A47 VanDerWaalsContact C-N 3.32Å
46	Q	33.5	Very low	33.1	Very low	163 Å²	163	114.4 Å²	114.4	76%	0.762	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-3.6	174	-88.7	163.4	-34.1	0	0	114.4	L42	L42-Q46 PolarHBondContact O-N 3.47Å
47	A	34.4	Very low	33	Very low	81 Å²	81	112.9 Å²	112.9	67%	0.669	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-1.2	-179.4	0	0	0	0	0	114.9	Q45	Q45-A47 VanDerWaalsContact C-N 3.32Å
48	T	31.2	Very low	33.1	Very low	122 Å²	122	115.3 Å²	115.3	75%	0.748	70%	0.696	S	S	*	*			trans	-132.2	18.3	-172.6	46.4	0	0	0	0	116.3	A50	T48-A50 PolarHBondContact O-N 3.36Å
49	A	29.7	Very low	33.3	Very low	92 Å²	92	119.8 Å²	119.8	76%	0.76	71%	0.707	S	S	*	*			trans	-85.4	110.7	171.5	0	0	0	0	0	110.7
50	A	30	Very low	33.8	Very low	91 Å²	91	121.2 Å²	121.2	75%	0.752	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-64.9	145.1	172.4	0	0	0	0	0	111	T48 A52	T48-A50 PolarHBondContact O-N 3.36Å; A50-A52 PolarHBondContact O-N 2.85Å
51	P	34.1	Very low	34.8	Very low	123 Å²	123	120.5 Å²	120.5	80%	0.799	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-72.6	130.7	-178	28.2	-30.3	0	0	0	110.7
52	A	30.7	Very low	36.8	Very low	98 Å²	98	122.5 Å²	122.5	81%	0.81	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-70.1	127.1	166.2	0	0	0	0	0	108.9	A50 D54	A50-A52 PolarHBondContact O-N 2.85Å; A52-D54 PolarHBondContact O-N 2.68Å
53	T	34	Very low	39.1	Very low	143 Å²	143	122.7 Å²	122.7	88%	0.877	71%	0.714	S	S	*	*			trans	-73	102.5	175.3	46.1	0	0	0	0	109.7
54	D	28.5	Very low	41.7	Very low	150 Å²	150	117.6 Å²	117.6	80%	0.802	69%	0.691	S	S	*	*			trans	-106.1	115.7	165.4	-124.3	-14.2	0	0	0	109	A52 T56	A52-D54 PolarHBondContact O-N 2.68Å; D54-T56 PolarHBondContact O-N 2.75Å; D54-T56 VanDerWaalsContact O-N 3.14Å
55	N	31.4	Very low	44.4	Very low	163 Å²	163	114.8 Å²	114.8	87%	0.872	68%	0.683	S	S	*	*			trans	-90.1	76.1	-170	-148.4	12.9	0	0	0	109.1
56	T	29.2	Very low	47.2	Very low	104 Å²	104	107.6 Å²	107.6	64%	0.638	65%	0.649	S	S	*	*			trans	-136.7	120.4	164.5	49.9	0	0	0	0	109.2	D54 H58	D54-T56 PolarHBondContact O-N 2.75Å; D54-T56 VanDerWaalsContact O-N 3.14Å; T56-H58 VanDerWaalsContact C-N 3.28Å; T56-H58 PolarHBondContact O-N 2.72Å
57	T	32.8	Very low	50	Low	133 Å²	133	106.2 Å²	106.2	82%	0.816	64%	0.638	S	S	*	*			trans	-73.3	79.3	179.3	45.8	0	0	0	0	110.7
58	H	35.2	Very low	52.7	Low	168 Å²	168	102.3 Å²	102.3	78%	0.778	61%	0.606	S	S	*	*			trans	-116	107.5	156.9	-78.2	-74.2	0	0	0	106.9	T56 A60	T56-H58 VanDerWaalsContact C-N 3.28Å; T56-H58 PolarHBondContact O-N 2.72Å; H58-A60 PolarHBondContact O-N 2.66Å
59	H	42.5	Very low	55.5	Low	148 Å²	148	97.1 Å²	97.1	69%	0.685	58%	0.575	S	S	*	*			trans	-68.1	97.3	172.8	-76.3	-72	0	0	0	108.5	W411	H59-W411 HydrophobicContact CB-CH2 4.3Å; H59-W411 HydrophobicContact CB-CZ2 4.11Å
60	A	46.3	Very low	58.3	Low	84 Å²	84	94.4 Å²	94.4	69%	0.694	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-62.2	142	173.4	0	0	0	0	0	109.8	H58 E62	H58-A60 PolarHBondContact O-N 2.66Å; A60-E62 PolarHBondContact O-N 2.89Å
61	A	57.3	Low	60.9	Low	51 Å²	51	90.9 Å²	90.9	42%	0.421	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-51.5	134.9	168.4	0	0	0	0	0	108.9	H63	A61-H63 PolarHBondContact O-CD2 2.62Å
62	E	73.9	Confident	63.1	Low	98 Å²	98	87.3 Å²	87.3	46%	0.458	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	133.2	179.6	-69	-178.2	-143	0	0	109.8	A60 F112 K204 R205	A60-E62 PolarHBondContact O-N 2.89Å; E62-F112 HydrophobicContact CB-CD1 4.44Å; E62-F112 HydrophobicContact CB-CE1 3.77Å; E62-F112 WeakPolarHBondContact O-CZ 3.28Å; E62-K204 WeakPolarHBondContact O-CA 3.25Å; E62-R205 PolarHBondContact N-O 2.73Å; E62-R205 PolarHBondContact O-N 2.81Å; E62-R205 IonicContact OE1-CZ 2.61Å; E62-R205 IonicContact OE1-NH2 2.95Å; E62-R205 PolarHBondContact OE1-NH2 2.02Å; E62-R205 IonicContact OE2-CZ 3.96Å; E62-R205 IonicContact OE2-NE 2.87Å; E62-R205 IonicContact OE2-NH2 3.35Å; E62-R205 PolarHBondContact OE2-NH2 3.44Å
63	H	84.5	Confident	64.9	Low	116 Å²	116	88.4 Å²	88.4	54%	0.537	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	138.3	-178.8	-67.1	-118.9	0	0	0	110.1	A61 I203 K204	A61-H63 PolarHBondContact O-CD2 2.62Å; H63-I203 WeakPolarHBondContact CA-O 3.32Å; H63-K204 WeakPolarHBondContact CE1-CD 3.33Å; H63-K204 VanDerWaalsContact CE1-CE 3.4Å; H63-K204 WeakPolarHBondContact CE1-CE 3.42Å
64	A	90.6	Very high	66.3	Low	26 Å²	26	86.5 Å²	86.5	22%	0.215	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	159.8	169.4	0	0	0	0	0	110.6	F112 I203	A64-F112 HydrophobicContact CB-CD1 4.34Å; A64-F112 HydrophobicContact CB-CE1 3.85Å; A64-F112 HydrophobicContact CB-CE2 4.31Å; A64-F112 HydrophobicContact CB-CZ 3.84Å; A64-I203 HydrophobicContact CB-CG2 3.78Å; A64-I203 PolarHBondContact N-O 2.76Å; A64-I203 PolarHBondContact O-N 2.93Å
65	I	90.4	Very high	67.4	Low	102 Å²	102	86.5 Å²	86.5	52%	0.523	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132.7	169.2	-61.5	175.3	0	0	0	107.1	Y67 P200 H201	I65-Y67 HydrophobicContact CG2-CE2 4.1Å; I65-P200 HydrophobicContact CG2-CB 4.16Å; I65-H201 CarbonylContact C-O 3.6Å; I65-H201 WeakPolarHBondContact CA-O 3.05Å
66	T	91.3	Very high	68.7	Low	3 Å²	3	86.3 Å²	86.3	2%	0.018	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	156.7	178	-168.5	0	0	0	0	111.3	P68 E110 I185 H201 I203	T66-P68 WeakPolarHBondContact O-CD 3.25Å; T66-E110 VanDerWaalsContact CB-O 3.26Å; T66-E110 WeakPolarHBondContact CB-O 3.27Å; T66-E110 PolarHBondContact OG1-N 3.49Å; T66-E110 PolarHBondContact OG1-O 3.21Å; T66-I185 HydrophobicContact CG2-CD1 4.27Å; T66-H201 HydrophobicContact CG2-CB 4.03Å; T66-H201 PolarHBondContact N-O 2.79Å; T66-H201 PolarHBondContact O-N 3.3Å; T66-I203 HydrophobicContact CG2-CB 4.3Å; T66-I203 HydrophobicContact CG2-CG2 4.21Å
67	Y	90.9	Very high	69.9	Low	134 Å²	134	87.8 Å²	87.8	53%	0.525	45%	0.446	S	S	.	.			trans	-121.4	81.5	179.8	-66.5	-89.6	0	0	0	108.2	I65 A198 P200	I65-Y67 HydrophobicContact CG2-CE2 4.1Å; Y67-A198 HydrophobicContact CD1-CB 3.82Å; Y67-A198 HydrophobicContact CG-CB 4.39Å; Y67-P200 HydrophobicContact CD1-CB 4.3Å; Y67-P200 HydrophobicContact CE1-CB 3.72Å; Y67-P200 HydrophobicContact CE1-CG 4.43Å
68	P	91.6	Very high	71.1	Confident	0 Å²	0	88 Å²	88	0%	0	44%	0.442	C	S	.	.			trans	-62.9	150.9	-178.4	25.8	-30.6	0	0	0	110.2	T66 L86 Q108 L109 L172 H201	T66-P68 WeakPolarHBondContact O-CD 3.25Å; P68-L86 HydrophobicContact CB-CD2 4.1Å; P68-L86 HydrophobicContact CG-CD1 3.83Å; P68-L86 HydrophobicContact CG-CD2 4.23Å; P68-Q108 CarbonylContact C-O 3.49Å; P68-Q108 VanDerWaalsContact CA-O 3.29Å; P68-Q108 WeakPolarHBondContact CA-O 3.41Å; P68-L109 HydrophobicContact CB-CB 4.09Å; P68-L172 HydrophobicContact CB-CD1 3.6Å; P68-L172 HydrophobicContact CG-CD1 3.93Å; P68-L172 HydrophobicContact CG-CG 4.48Å; P68-H201 VanDerWaalsContact CD-ND1 3.28Å; P68-H201 WeakPolarHBondContact CD-ND1 3.32Å; P68-H201 HydrophobicContact CG-CB 4.46Å; P68-H201 WeakPolarHBondContact CG-ND1 3.37Å
69	S	90.2	Very high	72.3	Confident	13 Å²	13	82.2 Å²	82.2	9%	0.091	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	138.8	174.8	-61.6	0	0	0	0	109	H83 H84 F107 Q108	S69-H83 CarbonylContact C-O 3.37Å; S69-H83 WeakPolarHBondContact CA-O 3.38Å; S69-H83 WeakPolarHBondContact CB-O 3.41Å; S69-H84 PolarHBondContact OG-ND1 3.49Å; S69-F107 CarbonylContact O-C 3.58Å; S69-F107 WeakPolarHBondContact O-CA 3.41Å; S69-Q108 PolarHBondContact N-O 3.26Å; S69-Q108 PolarHBondContact O-N 3.22Å
70	R	88.9	Confident	73.9	Confident	35 Å²	35	79.3 Å²	79.3	13%	0.132	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	136.9	172.7	-175.6	172.3	56.6	162.3	-9	109.3	H83 D85 N87 L102 S106 F107	R70-H83 PolarHBondContact N-O 3.11Å; R70-H83 PolarHBondContact O-N 3.49Å; R70-D85 PolarHBondContact NE-O 3.04Å; R70-N87 PolarHBondContact NH1-O 3.18Å; R70-N87 PolarHBondContact NH2-O 3.05Å; R70-L102 VanDerWaalsContact NH1-CD1 3.31Å; R70-S106 CarbonylContact C-O 3.51Å; R70-S106 WeakPolarHBondContact CA-O 3.46Å; R70-F107 HydrophobicContact CB-CD1 3.98Å; R70-F107 HydrophobicContact CB-CE1 3.81Å; R70-F107 HydrophobicContact CG-CD1 4.39Å; R70-F107 HydrophobicContact CG-CE1 4.04Å; R70-F107 HydrophobicContact CG-CZ 4.45Å
71	L	85.1	Confident	75.4	Confident	17 Å²	17	77 Å²	77	9%	0.089	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	129.2	173.4	-62	177	0	0	0	109.4	S81 T82 S106 Q108 V117	L71-S81 WeakPolarHBondContact CA-O 3.22Å; L71-T82 HydrophobicContact CD2-CG2 3.67Å; L71-S106 PolarHBondContact N-O 3.47Å; L71-Q108 HydrophobicContact CD1-CB 4.18Å; L71-Q108 HydrophobicContact CD2-CB 3.94Å; L71-Q108 HydrophobicContact CG-CB 4.06Å; L71-V117 HydrophobicContact CD1-CG1 3.57Å; L71-V117 HydrophobicContact CD1-CG2 4.3Å
72	I	79.1	Confident	76.4	Confident	48 Å²	48	78.3 Å²	78.3	25%	0.246	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.9	176.6	-57.7	177.5	0	0	0	108.1	Y74 E80 S81 H83	I72-Y74 HydrophobicContact CG2-CE1 4.25Å; I72-Y74 HydrophobicContact CG2-CE2 4.45Å; I72-E80 WeakPolarHBondContact O-CA 3.45Å; I72-S81 PolarHBondContact N-O 3.19Å; I72-S81 PolarHBondContact O-N 2.91Å; I72-H83 HydrophobicContact CD1-CB 3.74Å; I72-H83 HydrophobicContact CG1-CB 4.26Å
73	Y	68.7	Low	76.7	Confident	121 Å²	121	77.6 Å²	77.6	48%	0.475	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	126.4	177	-170.3	-95.8	0	0	0	110.9	D78 E80	Y73-D78 PolarHBondContact OH-OD1 2.87Å; Y73-E80 HydrophobicContact CD2-CG 4.01Å
74	Y	64.8	Low	76.4	Confident	103 Å²	103	76.3 Å²	76.3	40%	0.404	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	113.6	171.8	-60.4	-78.9	0	0	0	110	I72 N76 E77 S79 S81	I72-Y74 HydrophobicContact CG2-CE1 4.25Å; I72-Y74 HydrophobicContact CG2-CE2 4.45Å; Y74-N76 PolarHBondContact O-N 3.41Å; Y74-E77 PolarHBondContact O-N 2.8Å; Y74-E77 VanDerWaalsContact O-N 3.1Å; Y74-S79 PolarHBondContact N-O 3.09Å; Y74-S81 WeakPolarHBondContact CE2-OG 3.34Å; Y74-S81 PolarHBondContact OH-OG 2.82Å
75	L	51.9	Low	75.9	Confident	150 Å²	150	77.9 Å²	77.9	79%	0.785	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-20.5	179.1	-79.2	155.8	0	0	0	114.7
76	N	57	Low	75.5	Confident	158 Å²	158	73.6 Å²	73.6	85%	0.845	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-6.7	-173.3	-62.9	-16.9	0	0	0	114.1	Y74	Y74-N76 PolarHBondContact O-N 3.41Å
77	E	55.8	Low	75	Confident	136 Å²	136	76 Å²	76	64%	0.636	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.8	1.2	-169.3	-65.6	-173	167.2	0	0	114.7	Y74 S79	Y74-E77 PolarHBondContact O-N 2.8Å; Y74-E77 VanDerWaalsContact O-N 3.1Å; E77-S79 WeakPolarHBondContact CB-OG 3.48Å; E77-S79 WeakPolarHBondContact O-CB 3.43Å; E77-S79 PolarHBondContact O-N 2.89Å
78	D	57.9	Low	74.5	Confident	137 Å²	137	69.7 Å²	69.7	73%	0.733	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.4	34.2	-173.3	-67.8	-25.6	0	0	0	112.6	Y73	Y73-D78 PolarHBondContact OH-OD1 2.87Å
79	S	60	Low	74	Confident	47 Å²	47	73.3 Å²	73.3	33%	0.329	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	141.5	-171.8	80.7	0	0	0	0	110.6	Y74 E77	Y74-S79 PolarHBondContact N-O 3.09Å; E77-S79 WeakPolarHBondContact CB-OG 3.48Å; E77-S79 WeakPolarHBondContact O-CB 3.43Å; E77-S79 PolarHBondContact O-N 2.89Å
80	E	76.8	Confident	73	Confident	86 Å²	86	74.5 Å²	74.5	40%	0.402	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.3	176.6	-66.5	179.9	156	0	0	109	I72 Y73 R157	I72-E80 WeakPolarHBondContact O-CA 3.45Å; Y73-E80 HydrophobicContact CD2-CG 4.01Å; E80-R157 IonicContact OE1-CZ 3.86Å; E80-R157 IonicContact OE1-NH1 3.87Å; E80-R157 PolarHBondContact OE1-NH1 3.06Å; E80-R157 IonicContact OE1-NH2 2.84Å; E80-R157 PolarHBondContact OE1-NH2 2Å; E80-R157 IonicContact OE2-CZ 3Å; E80-R157 IonicContact OE2-NH1 3.47Å; E80-R157 PolarHBondContact OE2-NH1 3.26Å
81	S	77.1	Confident	71.5	Confident	37 Å²	37	82.9 Å²	82.9	26%	0.259	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	142.1	172.1	73.4	0	0	0	0	111.3	L71 I72 Y74	L71-S81 WeakPolarHBondContact CA-O 3.22Å; I72-S81 PolarHBondContact N-O 3.19Å; I72-S81 PolarHBondContact O-N 2.91Å; Y74-S81 WeakPolarHBondContact CE2-OG 3.34Å; Y74-S81 PolarHBondContact OH-OG 2.82Å
82	T	78.9	Confident	69.8	Low	77 Å²	77	85.8 Å²	85.8	47%	0.472	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	130.1	173.9	52.8	0	0	0	0	110.9	L71	L71-T82 HydrophobicContact CD2-CG2 3.67Å
83	H	78.9	Confident	68.2	Low	83 Å²	83	93.2 Å²	93.2	38%	0.384	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.3	176.5	-162.3	-65.8	0	0	0	110.3	S69 R70 I72 D85	S69-H83 CarbonylContact C-O 3.37Å; S69-H83 WeakPolarHBondContact CA-O 3.38Å; S69-H83 WeakPolarHBondContact CB-O 3.41Å; R70-H83 PolarHBondContact N-O 3.11Å; R70-H83 PolarHBondContact O-N 3.49Å; I72-H83 HydrophobicContact CD1-CB 3.74Å; I72-H83 HydrophobicContact CG1-CB 4.26Å; H83-D85 WeakPolarHBondContact CE1-CB 3.38Å; H83-D85 VanDerWaalsContact ND1-CB 3.33Å; H83-D85 WeakPolarHBondContact ND1-CB 3.18Å; H83-D85 PolarHBondContact ND1-N 3.21Å
84	H	79.6	Confident	67.1	Low	90 Å²	90	91.9 Å²	91.9	42%	0.417	48%	0.479	S	S	.	.	S	Bend	trans	-74.6	-26.9	-176.9	-67.1	-41.9	0	0	0	114	S69 L86 A198	S69-H84 PolarHBondContact OG-ND1 3.49Å; H84-L86 PolarHBondContact O-N 3.24Å; H84-A198 HydrophobicContact CB-CB 4.36Å
85	D	78.5	Confident	66.1	Low	58 Å²	58	89.1 Å²	89.1	31%	0.31	48%	0.477	S	S	.	.			trans	-68.2	116.1	168.6	-173.8	9.4	0	0	0	111	R70 H83 N87	R70-D85 PolarHBondContact NE-O 3.04Å; H83-D85 WeakPolarHBondContact CE1-CB 3.38Å; H83-D85 VanDerWaalsContact ND1-CB 3.33Å; H83-D85 WeakPolarHBondContact ND1-CB 3.18Å; H83-D85 PolarHBondContact ND1-N 3.21Å; D85-N87 VanDerWaalsContact C-N 3.34Å; D85-N87 WeakPolarHBondContact OD1-CB 3.43Å; D85-N87 PolarHBondContact OD1-N 2.88Å
86	L	82.5	Confident	65.6	Low	12 Å²	12	87.6 Å²	87.6	6%	0.063	49%	0.486	C	S	.	.			trans	-87	-7.1	179.7	-57.9	172.4	0	0	0	112.5	P68 H84 T88 F107 L172 R199 H201	P68-L86 HydrophobicContact CB-CD2 4.1Å; P68-L86 HydrophobicContact CG-CD1 3.83Å; P68-L86 HydrophobicContact CG-CD2 4.23Å; H84-L86 PolarHBondContact O-N 3.24Å; L86-T88 PolarHBondContact O-N 3.09Å; L86-F107 HydrophobicContact CB-CE1 4.15Å; L86-F107 HydrophobicContact CD2-CD1 3.8Å; L86-F107 HydrophobicContact CD2-CE1 3.87Å; L86-L172 HydrophobicContact CD1-CG 4.38Å; L86-R199 HydrophobicContact CD1-CB 4.4Å; L86-H201 WeakPolarHBondContact CD1-CE1 3.39Å
87	N	80.4	Confident	65.3	Low	55 Å²	55	88 Å²	88	29%	0.294	49%	0.488	S	S	.	.			trans	-63.5	129.1	-175.4	-168.9	-3.5	0	0	0	111	R70 D85 H89	R70-N87 PolarHBondContact NH1-O 3.18Å; R70-N87 PolarHBondContact NH2-O 3.05Å; D85-N87 VanDerWaalsContact C-N 3.34Å; D85-N87 WeakPolarHBondContact OD1-CB 3.43Å; D85-N87 PolarHBondContact OD1-N 2.88Å; N87-H89 VanDerWaalsContact ND2-CG 3.34Å; N87-H89 PolarHBondContact ND2-ND1 2.88Å; N87-H89 VanDerWaalsContact ND2-ND1 3.18Å; N87-H89 WeakPolarHBondContact OD1-CB 3.34Å; N87-H89 PolarHBondContact OD1-CD2 3.04Å; N87-H89 PolarHBondContact OD1-N 3.17Å
88	T	81.8	Confident	65.3	Low	0 Å²	0	86.6 Å²	86.6	0%	0	48%	0.482	C	S	.	.			trans	-96.6	9.5	176.8	52	0	0	0	0	112.8	L86 A90 H101 L102 A105 F107 Y152 T168	L86-T88 PolarHBondContact O-N 3.09Å; T88-A90 PolarHBondContact O-N 3.19Å; T88-H101 CarbonylContact O-C 3.43Å; T88-H101 VanDerWaalsContact O-CA 3.29Å; T88-H101 WeakPolarHBondContact O-CA 3.48Å; T88-H101 PolarHBondContact OG1-ND1 2.65Å; T88-L102 WeakPolarHBondContact O-CG 3.33Å; T88-L102 PolarHBondContact O-N 3.41Å; T88-A105 HydrophobicContact CG2-CB 4Å; T88-F107 HydrophobicContact CG2-CE2 4.42Å; T88-F107 HydrophobicContact CG2-CZ 3.83Å; T88-Y152 WeakPolarHBondContact CB-OH 3.29Å; T88-Y152 PolarHBondContact OG1-OH 3.22Å; T88-T168 HydrophobicContact CG2-CG2 4.11Å; T88-T168 PolarHBondContact OG1-OG1 2.7Å
89	H	80.8	Confident	65.6	Low	77 Å²	77	83.3 Å²	83.3	36%	0.356	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	127	176	-68	-179.3	0	0	0	111.4	N87 V100 H101 E148	N87-H89 VanDerWaalsContact ND2-CG 3.34Å; N87-H89 PolarHBondContact ND2-ND1 2.88Å; N87-H89 VanDerWaalsContact ND2-ND1 3.18Å; N87-H89 WeakPolarHBondContact OD1-CB 3.34Å; N87-H89 PolarHBondContact OD1-CD2 3.04Å; N87-H89 PolarHBondContact OD1-N 3.17Å; H89-V100 CarbonylContact C-O 3.26Å; H89-V100 WeakPolarHBondContact CA-O 3.49Å; H89-H101 AromaticContact CD2-CE1 3.24Å; H89-H101 PolarHBondContact CD2-CE1 3.3Å; H89-H101 AromaticContact CD2-ND1 3.68Å; H89-H101 AromaticContact CD2-NE2 3.7Å; H89-H101 AromaticContact NE2-CE1 3.43Å; H89-H101 PolarHBondContact NE2-CE1 3.45Å; H89-H101 AromaticContact NE2-NE2 3.73Å; H89-E148 IonicContact NE2-OE1 3.44Å; H89-E148 PolarHBondContact NE2-OE1 3.11Å
90	A	68	Low	66.1	Low	37 Å²	37	82 Å²	82	31%	0.306	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.8	170.8	0	0	0	0	0	109.2	T88 N92 V100 L102	T88-A90 PolarHBondContact O-N 3.19Å; A90-N92 PolarHBondContact O-N 3.1Å; A90-V100 PolarHBondContact N-O 3.04Å; A90-L102 HydrophobicContact CB-CD2 4.25Å
91	K	57.8	Low	66.2	Low	212 Å²	212	78.1 Å²	78.1	92%	0.922	44%	0.438	S	S	*	.			trans	-74	107	174.4	-77.7	-176.7	178.3	177.4	0	109.5
92	N	50.5	Low	66.3	Low	78 Å²	78	79.2 Å²	79.2	42%	0.417	44%	0.441	S	S	.	.			trans	-92.1	117.4	172.1	-143.7	-11.7	0	0	0	109.7	A90 A94 V100	A90-N92 PolarHBondContact O-N 3.1Å; N92-A94 PolarHBondContact O-N 3.35Å; N92-V100 HydrophobicContact CB-CG2 4.22Å
93	Q	43.9	Very low	66	Low	204 Å²	204	77.5 Å²	77.5	95%	0.953	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-10.9	-178.2	-74	-179.1	-5.1	0	0	113.3
94	A	45.3	Very low	66.1	Low	93 Å²	93	80.5 Å²	80.5	77%	0.769	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-16.3	-170.4	0	0	0	0	0	115.6	N92	N92-A94 PolarHBondContact O-N 3.35Å
95	A	45.1	Very low	66.4	Low	44 Å²	44	76.6 Å²	76.6	36%	0.364	43%	0.432	S	S	.	.			trans	-142.5	103.4	179.9	0	0	0	0	0	109.8	D97	A95-D97 PolarHBondContact O-N 2.93Å
96	A	41.2	Very low	67	Low	118 Å²	118	75 Å²	75	98%	0.975	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	7.1	-171.1	0	0	0	0	0	115.3
97	D	50.6	Low	67.5	Low	167 Å²	167	74.5 Å²	74.5	89%	0.893	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.4	9.2	-169.8	-145	21.7	0	0	0	114.6	A95	A95-D97 PolarHBondContact O-N 2.93Å
98	Q	55.9	Low	68.1	Low	107 Å²	107	73.4 Å²	73.4	50%	0.5	42%	0.416	S	S	.	.			trans	-126.2	114.2	179.5	-132.6	168	-10.6	0	0	110.7	V100	Q98-V100 PolarHBondContact O-N 3.46Å
99	T	64.4	Low	68.7	Low	68 Å²	68	73.5 Å²	73.5	42%	0.417	42%	0.417	S	S	.	.			trans	-72	103.3	174.8	35.9	0	0	0	0	109.9
100	V	70.8	Confident	69.2	Low	19 Å²	19	75.8 Å²	75.8	12%	0.115	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	140.9	175.3	-179.9	0	0	0	0	109.5	H89 A90 N92 Q98	H89-V100 CarbonylContact C-O 3.26Å; H89-V100 WeakPolarHBondContact CA-O 3.49Å; A90-V100 PolarHBondContact N-O 3.04Å; N92-V100 HydrophobicContact CB-CG2 4.22Å; Q98-V100 PolarHBondContact O-N 3.46Å
101	H	78.7	Confident	70.3	Confident	4 Å²	4	74.3 Å²	74.3	2%	0.019	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	156.5	176.2	-71.2	-96.6	0	0	0	112.3	T88 H89 A103 L122 E148 H149 C150 Y152	T88-H101 CarbonylContact O-C 3.43Å; T88-H101 VanDerWaalsContact O-CA 3.29Å; T88-H101 WeakPolarHBondContact O-CA 3.48Å; T88-H101 PolarHBondContact OG1-ND1 2.65Å; H89-H101 AromaticContact CD2-CE1 3.24Å; H89-H101 PolarHBondContact CD2-CE1 3.3Å; H89-H101 AromaticContact CD2-ND1 3.68Å; H89-H101 AromaticContact CD2-NE2 3.7Å; H89-H101 AromaticContact NE2-CE1 3.43Å; H89-H101 PolarHBondContact NE2-CE1 3.45Å; H89-H101 AromaticContact NE2-NE2 3.73Å; H101-A103 PolarHBondContact O-N 2.96Å; H101-L122 HydrophobicContact CB-CD1 4.44Å; H101-E148 IonicContact CE1-OE1 3.84Å; H101-E148 WeakPolarHBondContact NE2-CG 3.45Å; H101-E148 IonicContact NE2-OE1 3.1Å; H101-E148 PolarHBondContact NE2-OE1 2.93Å; H101-H149 PolarHBondContact CD2-O 3.17Å; H101-C150 VanDerWaalsContact CE1-CB 3.45Å; H101-C150 WeakPolarHBondContact CE1-CB 3.04Å; H101-Y152 WeakPolarHBondContact CB-OH 3.25Å
102	L	77.9	Confident	71.9	Confident	60 Å²	60	66.4 Å²	66.4	31%	0.314	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-62.5	131.3	174.5	-67	174.6	0	0	0	110.8	R70 T88 A90 Q104 Y152	R70-L102 VanDerWaalsContact NH1-CD1 3.31Å; T88-L102 WeakPolarHBondContact O-CG 3.33Å; T88-L102 PolarHBondContact O-N 3.41Å; A90-L102 HydrophobicContact CB-CD2 4.25Å; L102-Q104 PolarHBondContact O-N 3.27Å; L102-Y152 VanDerWaalsContact O-CE1 3.3Å; L102-Y152 WeakPolarHBondContact O-CE1 3.42Å; L102-Y152 PolarHBondContact O-OH 2.94Å
103	A	74.2	Confident	73.7	Confident	42 Å²	42	67.1 Å²	67.1	35%	0.347	41%	0.407	S	S	.	.	S	Bend	trans	-62.4	-31	177.1	0	0	0	0	0	113.1	H101 T121 L122	H101-A103 PolarHBondContact O-N 2.96Å; A103-T121 WeakPolarHBondContact O-CA 3.48Å; A103-L122 PolarHBondContact O-N 3.47Å
104	Q	80.7	Confident	75.9	Confident	146 Å²	146	60 Å²	60	68%	0.682	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134	141	175.8	-68.6	179	-11.6	0	0	110.1	L102 L120	L102-Q104 PolarHBondContact O-N 3.27Å; Q104-L120 VanDerWaalsContact CA-O 3.3Å; Q104-L120 WeakPolarHBondContact CA-O 3.26Å
105	A	86.2	Confident	78.2	Confident	8 Å²	8	63.3 Å²	63.3	7%	0.066	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	141.3	176.5	0	0	0	0	0	110.2	T88 F107 L120 Y152	T88-A105 HydrophobicContact CG2-CB 4Å; A105-F107 HydrophobicContact CB-CD2 4.49Å; A105-F107 HydrophobicContact CB-CE2 3.72Å; A105-F107 HydrophobicContact CB-CZ 4.22Å; A105-L120 PolarHBondContact N-O 3.11Å; A105-L120 WeakPolarHBondContact O-CA 3.42Å; A105-L120 WeakPolarHBondContact O-CB 3.03Å; A105-L120 PolarHBondContact O-N 3.44Å; A105-Y152 HydrophobicContact CB-CE1 4.5Å
106	S	90.2	Very high	80.5	Confident	25 Å²	25	61.7 Å²	61.7	18%	0.175	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	138.2	174.8	-61.1	0	0	0	0	110.2	R70 L71 L118 D119	R70-S106 CarbonylContact C-O 3.51Å; R70-S106 WeakPolarHBondContact CA-O 3.46Å; L71-S106 PolarHBondContact N-O 3.47Å; S106-L118 CarbonylContact C-O 3.52Å; S106-L118 VanDerWaalsContact CA-O 3.23Å; S106-L118 WeakPolarHBondContact CA-O 3.46Å; S106-D119 WeakPolarHBondContact CB-OD1 3.45Å; S106-D119 PolarHBondContact OG-OD1 3.08Å
107	F	93.1	Very high	83	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.8	179.5	-65.6	-86.2	0	0	0	110.8	S69 R70 L86 T88 A105 V117 L118 L120 T168 L172	S69-F107 CarbonylContact O-C 3.58Å; S69-F107 WeakPolarHBondContact O-CA 3.41Å; R70-F107 HydrophobicContact CB-CD1 3.98Å; R70-F107 HydrophobicContact CB-CE1 3.81Å; R70-F107 HydrophobicContact CG-CD1 4.39Å; R70-F107 HydrophobicContact CG-CE1 4.04Å; R70-F107 HydrophobicContact CG-CZ 4.45Å; L86-F107 HydrophobicContact CB-CE1 4.15Å; L86-F107 HydrophobicContact CD2-CD1 3.8Å; L86-F107 HydrophobicContact CD2-CE1 3.87Å; T88-F107 HydrophobicContact CG2-CE2 4.42Å; T88-F107 HydrophobicContact CG2-CZ 3.83Å; A105-F107 HydrophobicContact CB-CD2 4.49Å; A105-F107 HydrophobicContact CB-CE2 3.72Å; A105-F107 HydrophobicContact CB-CZ 4.22Å; F107-V117 CarbonylContact O-C 3.34Å; F107-V117 WeakPolarHBondContact O-CA 3.36Å; F107-L118 PolarHBondContact N-O 3.22Å; F107-L118 PolarHBondContact O-N 2.92Å; F107-L120 HydrophobicContact CD2-CD1 3.58Å; F107-L120 HydrophobicContact CD2-CG 4.25Å; F107-L120 HydrophobicContact CE2-CD1 3.73Å; F107-T168 HydrophobicContact CE2-CG2 4.06Å; F107-T168 HydrophobicContact CZ-CG2 3.99Å; F107-L172 HydrophobicContact CB-CD1 4.11Å; F107-L172 HydrophobicContact CD1-CD1 4.02Å; F107-L172 HydrophobicContact CD1-CD2 4.02Å; F107-L172 HydrophobicContact CD1-CG 4.46Å; F107-L172 HydrophobicContact CD2-CD2 4.19Å; F107-L172 HydrophobicContact CE1-CD2 3.9Å; F107-L172 HydrophobicContact CE2-CD2 4.09Å; F107-L172 HydrophobicContact CG-CD1 4.05Å; F107-L172 HydrophobicContact CG-CD2 4.14Å; F107-L172 HydrophobicContact CZ-CD2 3.93Å
108	Q	93.5	Very high	85.1	Confident	33 Å²	33	48.9 Å²	48.9	15%	0.154	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	133.8	171.7	-174.3	-178.5	-75	0	0	109.8	P68 S69 L71 R115 F116 V117	P68-Q108 CarbonylContact C-O 3.49Å; P68-Q108 VanDerWaalsContact CA-O 3.29Å; P68-Q108 WeakPolarHBondContact CA-O 3.41Å; S69-Q108 PolarHBondContact N-O 3.26Å; S69-Q108 PolarHBondContact O-N 3.22Å; L71-Q108 HydrophobicContact CD1-CB 4.18Å; L71-Q108 HydrophobicContact CD2-CB 3.94Å; L71-Q108 HydrophobicContact CG-CB 4.06Å; Q108-R115 HydrophobicContact CG-CG 3.99Å; Q108-F116 WeakPolarHBondContact CA-O 3.34Å; Q108-V117 HydrophobicContact CB-CG2 4.49Å; Q108-V117 HydrophobicContact CG-CG2 4.3Å
109	L	93.3	Very high	86.7	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	151.4	172.1	66.4	92.5	0	0	0	111.3	P68 A111 F116 L118 F176 I185 I203	P68-L109 HydrophobicContact CB-CB 4.09Å; L109-A111 HydrophobicContact CD1-CB 4.31Å; L109-F116 HydrophobicContact CD1-CB 4.07Å; L109-F116 HydrophobicContact CD1-CD2 3.63Å; L109-F116 HydrophobicContact CD1-CG 4.24Å; L109-F116 HydrophobicContact CG-CB 4.12Å; L109-F116 PolarHBondContact N-O 2.03Å; L109-F116 PolarHBondContact O-N 3.11Å; L109-L118 HydrophobicContact CD2-CD1 3.79Å; L109-L118 HydrophobicContact CD2-CG 4.33Å; L109-F176 HydrophobicContact CD1-CZ 4.19Å; L109-F176 HydrophobicContact CD2-CE1 4.27Å; L109-F176 HydrophobicContact CD2-CZ 4.4Å; L109-I185 HydrophobicContact CD2-CD1 4Å; L109-I203 HydrophobicContact CD1-CD1 4Å
110	E	92.3	Very high	87.9	Confident	124 Å²	124	43.1 Å²	43.1	58%	0.579	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.2	179.1	-69	-178.5	-177.3	0	0	109.7	T66 S114 R115	T66-E110 VanDerWaalsContact CB-O 3.26Å; T66-E110 WeakPolarHBondContact CB-O 3.27Å; T66-E110 PolarHBondContact OG1-N 3.49Å; T66-E110 PolarHBondContact OG1-O 3.21Å; E110-S114 WeakPolarHBondContact CA-O 3.34Å; E110-R115 HydrophobicContact CG-CB 4.24Å; E110-R115 HydrophobicContact CG-CG 4.04Å
111	A	91.7	Very high	88.7	Confident	7 Å²	7	45.7 Å²	45.7	6%	0.058	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	146.7	-178.8	0	0	0	0	0	110.7	L109 G113 S114 F116 I203	L109-A111 HydrophobicContact CD1-CB 4.31Å; A111-G113 PolarHBondContact O-N 3.22Å; A111-G113 VanDerWaalsContact O-N 3.11Å; A111-S114 PolarHBondContact N-O 2.85Å; A111-S114 PolarHBondContact O-N 3.38Å; A111-S114 VanDerWaalsContact O-O 3.05Å; A111-F116 HydrophobicContact CB-CE2 4.41Å; A111-I203 HydrophobicContact CB-CD1 3.86Å; A111-I203 HydrophobicContact CB-CG2 3.62Å
112	F	90.9	Very high	89	Confident	46 Å²	46	46 Å²	46	20%	0.202	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	35.7	177.2	-47.9	-77.3	0	0	0	114	E62 A64 S114 Y183 I203 R205	E62-F112 HydrophobicContact CB-CD1 4.44Å; E62-F112 HydrophobicContact CB-CE1 3.77Å; E62-F112 WeakPolarHBondContact O-CZ 3.28Å; A64-F112 HydrophobicContact CB-CD1 4.34Å; A64-F112 HydrophobicContact CB-CE1 3.85Å; A64-F112 HydrophobicContact CB-CE2 4.31Å; A64-F112 HydrophobicContact CB-CZ 3.84Å; F112-S114 PolarHBondContact O-N 2.04Å; F112-Y183 HydrophobicContact CD2-CD1 4.25Å; F112-Y183 AromaticContact CD2-CE1 3.72Å; F112-Y183 HydrophobicContact CD2-CE1 3.72Å; F112-Y183 AromaticContact CE2-CD1 3.97Å; F112-Y183 HydrophobicContact CE2-CD1 3.97Å; F112-Y183 AromaticContact CE2-CE1 3.88Å; F112-Y183 HydrophobicContact CE2-CE1 3.88Å; F112-I203 HydrophobicContact CE2-CD1 4.31Å; F112-I203 HydrophobicContact CE2-CG1 4.14Å; F112-I203 HydrophobicContact CE2-CG2 3.78Å; F112-I203 HydrophobicContact CZ-CG2 4.15Å; F112-R205 HydrophobicContact CD1-CB 4.49Å; F112-R205 HydrophobicContact CD2-CB 4.21Å; F112-R205 HydrophobicContact CE1-CB 3.97Å; F112-R205 HydrophobicContact CE2-CB 3.63Å; F112-R205 HydrophobicContact CZ-CB 3.5Å
113	G	87.4	Confident	89.4	Confident	92 Å²	92	43.5 Å²	43.5	95%	0.948	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.5	7	-178.4	0	0	0	0	0	115.1	A111	A111-G113 PolarHBondContact O-N 3.22Å; A111-G113 VanDerWaalsContact O-N 3.11Å
114	S	90.4	Very high	89.6	Confident	54 Å²	54	42.6 Å²	42.6	38%	0.378	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	148.3	179.6	-60	0	0	0	0	110.9	E110 A111 F112	E110-S114 WeakPolarHBondContact CA-O 3.34Å; A111-S114 PolarHBondContact N-O 2.85Å; A111-S114 PolarHBondContact O-N 3.38Å; A111-S114 VanDerWaalsContact O-O 3.05Å; F112-S114 PolarHBondContact O-N 2.04Å
115	R	93.2	Very high	89.5	Confident	163 Å²	163	36.6 Å²	36.6	62%	0.615	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	121	173.7	-173.8	178.6	74.4	151.7	-1.6	108.9	Q108 E110	Q108-R115 HydrophobicContact CG-CG 3.99Å; E110-R115 HydrophobicContact CG-CB 4.24Å; E110-R115 HydrophobicContact CG-CG 4.04Å
116	F	94.1	Very high	89.6	Confident	11 Å²	11	36.2 Å²	36.2	5%	0.048	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	138	178.1	-55.6	-85.4	0	0	0	109.5	Q108 L109 A111 L118 V156 F176 D178 Y183	Q108-F116 WeakPolarHBondContact CA-O 3.34Å; L109-F116 HydrophobicContact CD1-CB 4.07Å; L109-F116 HydrophobicContact CD1-CD2 3.63Å; L109-F116 HydrophobicContact CD1-CG 4.24Å; L109-F116 HydrophobicContact CG-CB 4.12Å; L109-F116 PolarHBondContact N-O 2.03Å; L109-F116 PolarHBondContact O-N 3.11Å; A111-F116 HydrophobicContact CB-CE2 4.41Å; F116-L118 HydrophobicContact CB-CD2 4.28Å; F116-V156 HydrophobicContact CD1-CG1 4.3Å; F116-F176 HydrophobicContact CB-CE2 4.46Å; F116-F176 AromaticContact CD1-CE2 3.97Å; F116-F176 HydrophobicContact CD1-CE2 3.97Å; F116-F176 HydrophobicContact CD2-CZ 4.48Å; F116-F176 HydrophobicContact CE1-CE2 4.36Å; F116-F176 HydrophobicContact CG-CE2 4.07Å; F116-F176 HydrophobicContact CG-CZ 4.36Å; F116-D178 HydrophobicContact CE1-CB 3.99Å; F116-Y183 HydrophobicContact CE1-CE2 4.21Å; F116-Y183 HydrophobicContact CZ-CE1 4.22Å; F116-Y183 HydrophobicContact CZ-CE2 4.17Å; F116-Y183 AromaticContact CZ-CZ 3.72Å
117	V	94.1	Very high	89.5	Confident	16 Å²	16	35 Å²	35	10%	0.097	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	117.2	168.1	179.7	0	0	0	0	107	L71 F107 Q108 V156 R157	L71-V117 HydrophobicContact CD1-CG1 3.57Å; L71-V117 HydrophobicContact CD1-CG2 4.3Å; F107-V117 CarbonylContact O-C 3.34Å; F107-V117 WeakPolarHBondContact O-CA 3.36Å; Q108-V117 HydrophobicContact CB-CG2 4.49Å; Q108-V117 HydrophobicContact CG-CG2 4.3Å; V117-V156 CarbonylContact O-C 3.55Å; V117-V156 WeakPolarHBondContact O-CA 3.32Å; V117-R157 HydrophobicContact CB-CB 3.91Å; V117-R157 HydrophobicContact CG1-CB 4.09Å; V117-R157 PolarHBondContact O-N 3.31Å
118	L	94.4	Very high	89.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	112.4	-177.7	-48.3	-176.7	0	0	0	107.8	S106 F107 L109 F116 L120 V156 V164 L166 F176	S106-L118 CarbonylContact C-O 3.52Å; S106-L118 VanDerWaalsContact CA-O 3.23Å; S106-L118 WeakPolarHBondContact CA-O 3.46Å; F107-L118 PolarHBondContact N-O 3.22Å; F107-L118 PolarHBondContact O-N 2.92Å; L109-L118 HydrophobicContact CD2-CD1 3.79Å; L109-L118 HydrophobicContact CD2-CG 4.33Å; F116-L118 HydrophobicContact CB-CD2 4.28Å; L118-L120 HydrophobicContact CB-CD2 4.03Å; L118-L120 HydrophobicContact CB-CG 4.42Å; L118-V156 HydrophobicContact CD2-CG2 3.8Å; L118-V164 HydrophobicContact CB-CG2 4.49Å; L118-V164 HydrophobicContact CD1-CG1 4.31Å; L118-V164 HydrophobicContact CD2-CG2 4.08Å; L118-L166 HydrophobicContact CD1-CD1 3.59Å; L118-F176 HydrophobicContact CD1-CD1 4.17Å; L118-F176 HydrophobicContact CD1-CE1 4.38Å; L118-F176 HydrophobicContact CD1-CG 4.45Å; L118-F176 HydrophobicContact CD2-CD2 3.94Å; L118-F176 HydrophobicContact CD2-CE2 4.18Å; L118-F176 HydrophobicContact CD2-CG 4.15Å
119	D	89.3	Confident	88.1	Confident	49 Å²	49	35.5 Å²	35.5	26%	0.262	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	111.9	176.1	-70.3	-36.2	0	0	0	108.7	S106 G154 Q155 R157	S106-D119 WeakPolarHBondContact CB-OD1 3.45Å; S106-D119 PolarHBondContact OG-OD1 3.08Å; D119-G154 WeakPolarHBondContact O-CA 3.2Å; D119-Q155 PolarHBondContact N-O 3.15Å; D119-Q155 PolarHBondContact O-N 3.17Å; D119-Q155 VanDerWaalsContact O-N 3.08Å; D119-R157 IonicContact OD1-CZ 3.67Å; D119-R157 IonicContact OD1-NE 3.68Å; D119-R157 PolarHBondContact OD1-NE 3.18Å; D119-R157 IonicContact OD1-NH2 2.69Å; D119-R157 PolarHBondContact OD1-NH2 3.05Å; D119-R157 VanDerWaalsContact OD2-CB 3.31Å; D119-R157 WeakPolarHBondContact OD2-CB 3.37Å; D119-R157 WeakPolarHBondContact OD2-CG 3.27Å; D119-R157 IonicContact OD2-CZ 3.98Å; D119-R157 IonicContact OD2-NE 3.68Å; D119-R157 PolarHBondContact OD2-NE 3.04Å; D119-R157 IonicContact OD2-NH2 2.63Å
120	L	89.8	Confident	87.3	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	142.7	-169.1	-50.9	-174	0	0	0	111.7	Q104 A105 F107 L118 Y152 V164 L166	Q104-L120 VanDerWaalsContact CA-O 3.3Å; Q104-L120 WeakPolarHBondContact CA-O 3.26Å; A105-L120 PolarHBondContact N-O 3.11Å; A105-L120 WeakPolarHBondContact O-CA 3.42Å; A105-L120 WeakPolarHBondContact O-CB 3.03Å; A105-L120 PolarHBondContact O-N 3.44Å; F107-L120 HydrophobicContact CD2-CD1 3.58Å; F107-L120 HydrophobicContact CD2-CG 4.25Å; F107-L120 HydrophobicContact CE2-CD1 3.73Å; L118-L120 HydrophobicContact CB-CD2 4.03Å; L118-L120 HydrophobicContact CB-CG 4.42Å; L120-Y152 HydrophobicContact CB-CD1 3.85Å; L120-Y152 HydrophobicContact CB-CG 4.16Å; L120-Y152 HydrophobicContact CD1-CG 4.42Å; L120-V164 HydrophobicContact CD2-CB 3.86Å; L120-V164 HydrophobicContact CD2-CG1 3.36Å; L120-V164 HydrophobicContact CD2-CG2 4.43Å; L120-L166 HydrophobicContact CD1-CB 4.4Å; L120-L166 HydrophobicContact CD1-CD1 4.05Å; L120-L166 HydrophobicContact CD2-CD1 4.47Å
121	T	87.3	Confident	87.1	Confident	74 Å²	74	34 Å²	34	45%	0.454	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.6	169.5	-55	0	0	0	0	108.9	A103 N123 Y152 H153	A103-T121 WeakPolarHBondContact O-CA 3.48Å; T121-N123 PolarHBondContact O-N 2.91Å; T121-Y152 VanDerWaalsContact C-CD1 3.42Å; T121-Y152 VanDerWaalsContact O-CA 3.3Å; T121-Y152 WeakPolarHBondContact O-CA 3.16Å; T121-Y152 WeakPolarHBondContact O-CB 3.01Å; T121-H153 PolarHBondContact N-O 3.32Å; T121-H153 PolarHBondContact O-N 3.4Å
122	L	84.1	Confident	87	Confident	11 Å²	11	35 Å²	35	6%	0.058	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	129.3	179.7	-169.3	68.5	0	0	0	109.4	H101 A103 N124 Y151 Y152	H101-L122 HydrophobicContact CB-CD1 4.44Å; A103-L122 PolarHBondContact O-N 3.47Å; L122-N124 WeakPolarHBondContact CD2-OD1 3.36Å; L122-N124 PolarHBondContact O-N 2.93Å; L122-Y151 WeakPolarHBondContact CD1-O 3.31Å; L122-Y152 VanDerWaalsContact CA-CD1 3.49Å; L122-Y152 HydrophobicContact CB-CD1 4.13Å; L122-Y152 HydrophobicContact CB-CE1 3.88Å; L122-Y152 HydrophobicContact CD1-CD1 4.24Å; L122-Y152 HydrophobicContact CD1-CD2 4.09Å; L122-Y152 HydrophobicContact CD1-CE1 3.81Å; L122-Y152 HydrophobicContact CD1-CE2 3.61Å; L122-Y152 HydrophobicContact CD1-CG 4.36Å; L122-Y152 VanDerWaalsContact CD1-CZ 3.45Å; L122-Y152 HydrophobicContact CG-CE1 4.46Å; L122-Y152 VanDerWaalsContact N-CD1 3.31Å
123	N	87.4	Confident	87.1	Confident	6 Å²	6	33.1 Å²	33.1	3%	0.032	20%	0.196	C	C	.	.			trans	-82.7	73.9	-178.9	-176.1	10.5	0	0	0	109.7	T121 D125 L126 H149 Y151 H153 N285 D288 R298	T121-N123 PolarHBondContact O-N 2.91Å; N123-D125 PolarHBondContact O-N 3.32Å; N123-D125 PolarHBondContact OD1-N 2.96Å; N123-L126 HydrophobicContact CB-CB 4.46Å; N123-L126 WeakPolarHBondContact O-CB 3.43Å; N123-L126 PolarHBondContact O-N 3.38Å; N123-L126 VanDerWaalsContact O-N 3.11Å; N123-H149 PolarHBondContact O-CE1 2.98Å; N123-H149 PolarHBondContact O-NE2 3.46Å; N123-Y151 WeakPolarHBondContact CB-O 3.01Å; N123-Y151 PolarHBondContact N-O 2.03Å; N123-H153 PolarHBondContact ND2-CE1 3.03Å; N123-H153 PolarHBondContact ND2-NE2 2.96Å; N123-N285 PolarHBondContact ND2-OD1 3.47Å; N123-D288 PolarHBondContact ND2-OD2 3.04Å; N123-R298 PolarHBondContact OD1-NH2 2.82Å
124	N	78.7	Confident	87.5	Confident	24 Å²	24	29.7 Å²	29.7	13%	0.128	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-54.7	-26.8	-178.3	-64.6	-25.3	0	0	0	112	L122 L126 L454	L122-N124 WeakPolarHBondContact CD2-OD1 3.36Å; L122-N124 PolarHBondContact O-N 2.93Å; N124-L126 VanDerWaalsContact C-N 3.3Å; N124-L126 PolarHBondContact O-N 3.07Å; N124-L454 VanDerWaalsContact O-CB 3.29Å; N124-L454 WeakPolarHBondContact O-CB 3.45Å; N124-L454 WeakPolarHBondContact O-CD1 3.45Å
125	D	79.1	Confident	87.7	Confident	19 Å²	19	28 Å²	28	10%	0.102	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-87.9	4.1	-173.9	-23.1	-50.3	0	0	0	114.7	N123 R298 L454 Y464	N123-D125 PolarHBondContact O-N 3.32Å; N123-D125 PolarHBondContact OD1-N 2.96Å; D125-R298 VanDerWaalsContact CB-NH2 3.32Å; D125-R298 IonicContact OD2-CZ 3.61Å; D125-R298 IonicContact OD2-NH1 2.78Å; D125-R298 PolarHBondContact OD2-NH1 3.02Å; D125-R298 IonicContact OD2-NH2 3.67Å; D125-R298 PolarHBondContact OD2-NH2 3.48Å; D125-L454 HydrophobicContact CB-CD1 3.61Å; D125-L454 HydrophobicContact CB-CD2 4.41Å; D125-L454 WeakPolarHBondContact OD1-CD1 3.3Å; D125-Y464 HydrophobicContact CB-CE2 4.12Å; D125-Y464 VanDerWaalsContact CG-CE2 3.46Å; D125-Y464 WeakPolarHBondContact OD1-CE2 3.5Å
126	L	88.1	Confident	87.7	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-74	-38	177.4	-173.4	64.3	0	0	0	113	N123 N124 Y151 V284 N285 D288 L301	N123-L126 HydrophobicContact CB-CB 4.46Å; N123-L126 WeakPolarHBondContact O-CB 3.43Å; N123-L126 PolarHBondContact O-N 3.38Å; N123-L126 VanDerWaalsContact O-N 3.11Å; N124-L126 VanDerWaalsContact C-N 3.3Å; N124-L126 PolarHBondContact O-N 3.07Å; L126-Y151 VanDerWaalsContact CD2-CB 3.46Å; L126-Y151 HydrophobicContact CD2-CD1 4.25Å; L126-Y151 HydrophobicContact CD2-CD2 3.89Å; L126-Y151 HydrophobicContact CD2-CG 3.58Å; L126-V284 HydrophobicContact CD1-CB 4.34Å; L126-V284 HydrophobicContact CD1-CG1 3.77Å; L126-N285 HydrophobicContact CD1-CB 4.24Å; L126-N285 HydrophobicContact CD2-CB 3.76Å; L126-D288 HydrophobicContact CD1-CB 4.23Å; L126-L301 WeakPolarHBondContact O-CB 3.47Å; L126-L301 PolarHBondContact O-N 3.04Å
127	L	87.4	Confident	87.7	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.7	-173.4	-57.7	-174.7	0	0	0	110.3	Y131 H149 K281 L301 L454 F455	L127-Y131 HydrophobicContact CB-CG 4.5Å; L127-Y131 HydrophobicContact CD1-CD1 4.42Å; L127-Y131 HydrophobicContact CD2-CD2 4.33Å; L127-Y131 HydrophobicContact CD2-CE2 4.32Å; L127-H149 HydrophobicContact CD1-CB 3.92Å; L127-K281 HydrophobicContact CD2-CD 4.44Å; L127-K281 HydrophobicContact CD2-CG 4.49Å; L127-L301 HydrophobicContact CD2-CB 3.95Å; L127-L301 HydrophobicContact CD2-CD2 3.82Å; L127-L301 HydrophobicContact CD2-CG 4.34Å; L127-L454 WeakPolarHBondContact O-CD2 2.92Å; L127-F455 HydrophobicContact CB-CB 3.77Å; L127-F455 HydrophobicContact CB-CG 4.38Å; L127-F455 HydrophobicContact CD1-CD1 4.11Å; L127-F455 HydrophobicContact CD1-CG 4.34Å; L127-F455 PolarHBondContact O-N 3.16Å
128	S	83.8	Confident	87.6	Confident	14 Å²	14	32.3 Å²	32.3	10%	0.098	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	151.4	173.2	176.4	0	0	0	0	111.8	D130 Y131 L301	S128-D130 PolarHBondContact O-N 3.36Å; S128-D130 PolarHBondContact OG-N 3.38Å; S128-Y131 WeakPolarHBondContact O-CB 3.41Å; S128-Y131 PolarHBondContact O-N 2.76Å; S128-L301 PolarHBondContact N-O 3.06Å
129	S	72.6	Confident	87.3	Confident	29 Å²	29	34.7 Å²	34.7	20%	0.203	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	-32.6	174.4	55.7	0	0	0	0	114.4	Y131 K453	S129-Y131 VanDerWaalsContact C-N 3.25Å; S129-K453 VanDerWaalsContact CB-C 3.47Å; S129-K453 VanDerWaalsContact CB-O 3.29Å; S129-K453 WeakPolarHBondContact CB-O 3.45Å; S129-K453 PolarHBondContact N-O 3.36Å; S129-K453 VanDerWaalsContact N-O 3.13Å; S129-K453 VanDerWaalsContact OG-CB 3.28Å; S129-K453 WeakPolarHBondContact OG-CB 3.4Å; S129-K453 PolarHBondContact OG-O 3.26Å
130	D	77.9	Confident	87.4	Confident	94 Å²	94	39.8 Å²	39.8	50%	0.503	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	23.2	177.4	-67.8	-49.1	0	0	0	111.3	S128 I132 K145	S128-D130 PolarHBondContact O-N 3.36Å; S128-D130 PolarHBondContact OG-N 3.38Å; D130-I132 WeakPolarHBondContact O-CG2 3.3Å; D130-I132 PolarHBondContact O-N 3.26Å; D130-K145 WeakPolarHBondContact OD1-CE 3Å; D130-K145 IonicContact OD1-NZ 3.92Å; D130-K145 PolarHBondContact OD1-NZ 3.43Å
131	Y	86.9	Confident	87.5	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	127.5	176.2	173.5	-104.6	0	0	0	111.2	L127 S128 S129 E133 G146 K281 L301 V302 L304	L127-Y131 HydrophobicContact CB-CG 4.5Å; L127-Y131 HydrophobicContact CD1-CD1 4.42Å; L127-Y131 HydrophobicContact CD2-CD2 4.33Å; L127-Y131 HydrophobicContact CD2-CE2 4.32Å; S128-Y131 WeakPolarHBondContact O-CB 3.41Å; S128-Y131 PolarHBondContact O-N 2.76Å; S129-Y131 VanDerWaalsContact C-N 3.25Å; Y131-E133 HydrophobicContact CD1-CG 4.43Å; Y131-E133 HydrophobicContact CE1-CG 3.42Å; Y131-E133 VanDerWaalsContact CE1-CG 3.42Å; Y131-E133 WeakPolarHBondContact CE1-OE1 3.45Å; Y131-E133 VanDerWaalsContact OH-CG 3.24Å; Y131-E133 WeakPolarHBondContact OH-CG 3.35Å; Y131-E133 PolarHBondContact OH-OE1 2.99Å; Y131-E133 VanDerWaalsContact OH-OE1 3.06Å; Y131-G146 PolarHBondContact O-N 3.47Å; Y131-K281 WeakPolarHBondContact OH-CE 2.98Å; Y131-L301 HydrophobicContact CD2-CD2 4.4Å; Y131-L301 HydrophobicContact CD2-CG 4.14Å; Y131-L301 WeakPolarHBondContact CD2-O 3.06Å; Y131-L301 HydrophobicContact CE2-CD2 3.59Å; Y131-L301 HydrophobicContact CE2-CG 3.69Å; Y131-V302 WeakPolarHBondContact CA-O 3Å; Y131-L304 HydrophobicContact CE2-CB 4.11Å; Y131-L304 VanDerWaalsContact OH-CB 3.22Å; Y131-L304 WeakPolarHBondContact OH-CB 3.44Å
132	I	90.6	Very high	87.8	Confident	29 Å²	29	41.9 Å²	41.9	15%	0.149	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	139.4	178.9	59.7	173.4	0	0	0	111.8	D130 I134 L143 V302 A303 L304 L336	D130-I132 WeakPolarHBondContact O-CG2 3.3Å; D130-I132 PolarHBondContact O-N 3.26Å; I132-I134 HydrophobicContact CD1-CD1 3.92Å; I132-I134 HydrophobicContact CD1-CG1 4.2Å; I132-I134 HydrophobicContact CG1-CD1 4.47Å; I132-I134 HydrophobicContact CG1-CG1 4.4Å; I132-L143 HydrophobicContact CD1-CD2 4.29Å; I132-V302 PolarHBondContact N-O 3.09Å; I132-A303 HydrophobicContact CD1-CB 4.33Å; I132-A303 HydrophobicContact CG1-CB 3.6Å; I132-A303 VanDerWaalsContact O-CA 3.28Å; I132-A303 WeakPolarHBondContact O-CA 3.38Å; I132-L304 PolarHBondContact O-N 2.8Å; I132-L336 HydrophobicContact CD1-CD1 4.1Å; I132-L336 HydrophobicContact CD1-CD2 3.98Å; I132-L336 HydrophobicContact CG1-CD2 4.15Å
133	E	93.4	Very high	88.2	Confident	6 Å²	6	46.7 Å²	46.7	3%	0.028	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.8	169.6	-65.3	-177.1	165	0	0	109.2	Y131 L143 S144 K277 K281 L304	Y131-E133 HydrophobicContact CD1-CG 4.43Å; Y131-E133 HydrophobicContact CE1-CG 3.42Å; Y131-E133 VanDerWaalsContact CE1-CG 3.42Å; Y131-E133 WeakPolarHBondContact CE1-OE1 3.45Å; Y131-E133 VanDerWaalsContact OH-CG 3.24Å; Y131-E133 WeakPolarHBondContact OH-CG 3.35Å; Y131-E133 PolarHBondContact OH-OE1 2.99Å; Y131-E133 VanDerWaalsContact OH-OE1 3.06Å; E133-L143 WeakPolarHBondContact O-CA 3.21Å; E133-S144 PolarHBondContact N-O 3.11Å; E133-S144 PolarHBondContact O-N 3.19Å; E133-K277 VanDerWaalsContact OE2-CD 3.27Å; E133-K277 WeakPolarHBondContact OE2-CD 3.39Å; E133-K277 WeakPolarHBondContact OE2-CE 3.4Å; E133-K277 IonicContact OE2-NZ 3.29Å; E133-K277 PolarHBondContact OE2-NZ 2.78Å; E133-K281 VanDerWaalsContact OE1-CE 3.25Å; E133-K281 WeakPolarHBondContact OE1-CE 3.29Å; E133-K281 IonicContact OE1-NZ 3.63Å; E133-K281 PolarHBondContact OE1-NZ 3.27Å; E133-L304 CarbonylContact C-O 3.57Å; E133-L304 WeakPolarHBondContact CA-O 3.38Å
134	I	94.9	Very high	88.2	Confident	21 Å²	21	49 Å²	49	11%	0.108	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.3	-177.2	-49.1	176.2	0	0	0	108.4	I132 P141 V142 L143 M259 L304 E305 I306	I132-I134 HydrophobicContact CD1-CD1 3.92Å; I132-I134 HydrophobicContact CD1-CG1 4.2Å; I132-I134 HydrophobicContact CG1-CD1 4.47Å; I132-I134 HydrophobicContact CG1-CG1 4.4Å; I134-P141 HydrophobicContact CG2-CB 4.03Å; I134-V142 WeakPolarHBondContact CA-O 3.4Å; I134-L143 HydrophobicContact CG1-CG 4.32Å; I134-M259 HydrophobicContact CD1-CE 4.36Å; I134-L304 PolarHBondContact N-O 3.48Å; I134-E305 HydrophobicContact CB-CB 4.12Å; I134-E305 HydrophobicContact CB-CG 4.01Å; I134-E305 HydrophobicContact CG2-CG 4.12Å; I134-E305 CarbonylContact O-C 3.49Å; I134-E305 WeakPolarHBondContact O-CA 3.32Å; I134-I306 PolarHBondContact O-N 3.47Å
135	H	94.6	Very high	88.3	Confident	17 Å²	17	54.6 Å²	54.6	8%	0.079	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	170	168.8	69.5	-94.1	0	0	0	110.4	E137 P141 V142 K273 T308	H135-E137 IonicContact CD2-OE1 3.41Å; H135-E137 IonicContact CE1-OE1 3.94Å; H135-E137 IonicContact NE2-OE1 3.37Å; H135-E137 PolarHBondContact NE2-OE1 2.89Å; H135-P141 CarbonylContact O-C 3.56Å; H135-P141 WeakPolarHBondContact O-CA 3.24Å; H135-V142 PolarHBondContact N-O 2.72Å; H135-V142 PolarHBondContact O-N 3.14Å; H135-K273 HydrophobicContact CB-CD 4.26Å; H135-K273 PolarHBondContact CD2-NZ 2.72Å; H135-K273 PolarHBondContact NE2-NZ 3.37Å; H135-T308 HydrophobicContact CB-CG2 3.99Å
136	Y	93.9	Very high	88.1	Confident	26 Å²	26	54 Å²	54	10%	0.102	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	137.5	-177.7	-71	-99	0	0	0	111.8	K140 P141 E305 W307 T308	Y136-K140 WeakPolarHBondContact CA-O 3.38Å; Y136-P141 HydrophobicContact CE1-CB 4.1Å; Y136-E305 HydrophobicContact CE2-CG 4.21Å; Y136-E305 WeakPolarHBondContact CE2-OE1 3.42Å; Y136-E305 PolarHBondContact OH-OE1 3.21Å; Y136-W307 AromaticContact CE2-CD1 3.8Å; Y136-T308 VanDerWaalsContact CA-OG1 3.32Å; Y136-T308 WeakPolarHBondContact CA-OG1 3.48Å; Y136-T308 WeakPolarHBondContact CB-OG1 3.38Å; Y136-T308 PolarHBondContact N-OG1 3.24Å; Y136-T308 PolarHBondContact O-OG1 3.01Å
137	E	93.5	Very high	87.5	Confident	94 Å²	94	54.9 Å²	54.9	44%	0.439	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	120.2	169.8	-66.1	-179.3	-171.6	0	0	109	H135 G139 K140 V142 K273	H135-E137 IonicContact CD2-OE1 3.41Å; H135-E137 IonicContact CE1-OE1 3.94Å; H135-E137 IonicContact NE2-OE1 3.37Å; H135-E137 PolarHBondContact NE2-OE1 2.89Å; E137-G139 PolarHBondContact O-N 3.29Å; E137-K140 PolarHBondContact N-O 3.01Å; E137-K140 PolarHBondContact O-N 2.87Å; E137-K140 VanDerWaalsContact O-N 3.12Å; E137-V142 HydrophobicContact CB-CG2 4.03Å; E137-V142 HydrophobicContact CG-CG2 4.05Å; E137-K273 IonicContact OE1-NZ 3.77Å
138	N	91.5	Very high	87.3	Confident	161 Å²	161	56.5 Å²	56.5	86%	0.861	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	37.6	-177.4	-55.9	-52.5	0	0	0	113.2	K140 D309	N138-K140 VanDerWaalsContact C-N 3.29Å; N138-K140 PolarHBondContact O-N 3.37Å; N138-D309 PolarHBondContact N-OD2 3.04Å
139	G	87.8	Confident	87.3	Confident	51 Å²	51	55.9 Å²	55.9	53%	0.526	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	4.2	178.9	0	0	0	0	0	115.1	E137 D309	E137-G139 PolarHBondContact O-N 3.29Å; G139-D309 PolarHBondContact N-OD2 3.33Å
140	K	91.4	Very high	88.1	Confident	156 Å²	156	54.5 Å²	54.5	68%	0.678	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	139.1	176.6	-67	-175.6	179.3	-178.5	0	111	Y136 E137 N138	Y136-K140 WeakPolarHBondContact CA-O 3.38Å; E137-K140 PolarHBondContact N-O 3.01Å; E137-K140 PolarHBondContact O-N 2.87Å; E137-K140 VanDerWaalsContact O-N 3.12Å; N138-K140 VanDerWaalsContact C-N 3.29Å; N138-K140 PolarHBondContact O-N 3.37Å
141	P	92.9	Very high	88.8	Confident	72 Å²	72	50 Å²	50	47%	0.468	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	132.1	174.1	30	-33.4	0	0	0	110.2	I134 H135 Y136 L143	I134-P141 HydrophobicContact CG2-CB 4.03Å; H135-P141 CarbonylContact O-C 3.56Å; H135-P141 WeakPolarHBondContact O-CA 3.24Å; Y136-P141 HydrophobicContact CE1-CB 4.1Å; P141-L143 HydrophobicContact CB-CD1 4.38Å
142	V	93.3	Very high	89	Confident	50 Å²	50	50 Å²	50	30%	0.303	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123	172.4	-179.7	0	0	0	0	106.9	I134 H135 E137	I134-V142 WeakPolarHBondContact CA-O 3.4Å; H135-V142 PolarHBondContact N-O 2.72Å; H135-V142 PolarHBondContact O-N 3.14Å; E137-V142 HydrophobicContact CB-CG2 4.03Å; E137-V142 HydrophobicContact CG-CG2 4.05Å
143	L	91.9	Very high	89.1	Confident	111 Å²	111	49.8 Å²	49.8	58%	0.581	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.7	-178	-67.6	83.2	0	0	0	109.4	I132 E133 I134 P141	I132-L143 HydrophobicContact CD1-CD2 4.29Å; E133-L143 WeakPolarHBondContact O-CA 3.21Å; I134-L143 HydrophobicContact CG1-CG 4.32Å; P141-L143 HydrophobicContact CB-CD1 4.38Å
144	S	87.4	Confident	89	Confident	55 Å²	55	50.4 Å²	50.4	39%	0.385	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122.6	169.8	-175.5	0	0	0	0	108.2	E133	E133-S144 PolarHBondContact N-O 3.11Å; E133-S144 PolarHBondContact O-N 3.19Å
145	K	82	Confident	88.8	Confident	141 Å²	141	53.8 Å²	53.8	61%	0.613	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	133.6	173.2	-167.5	173.5	-174.2	172.8	0	109	D130	D130-K145 WeakPolarHBondContact OD1-CE 3Å; D130-K145 IonicContact OD1-NZ 3.92Å; D130-K145 PolarHBondContact OD1-NZ 3.43Å
146	G	73.3	Confident	88.7	Confident	6 Å²	6	53.4 Å²	53.4	6%	0.062	29%	0.294	C	S	.	.			trans	81.3	-168.3	-178.4	0	0	0	0	0	114.9	Y131	Y131-G146 PolarHBondContact O-N 3.47Å
147	G	76.5	Confident	88.5	Confident	20 Å²	20	56.8 Å²	56.8	21%	0.206	31%	0.306	C	S	.	.			trans	167.8	166.3	174.5	0	0	0	0	0	110.7	H149 F455	G147-H149 PolarHBondContact O-N 2.8Å; G147-F455 VanDerWaalsContact N-CZ 3.34Å; G147-F455 WeakPolarHBondContact O-CE1 3.07Å; G147-F455 WeakPolarHBondContact O-CZ 3.48Å
148	E	82.7	Confident	88.1	Confident	34 Å²	34	56.2 Å²	56.2	16%	0.159	33%	0.326	C	S	.	.			trans	-55.7	131.3	178.5	-170.2	179.6	-162.2	0	0	111.4	H89 H101 C169 Q274 K281	H89-E148 IonicContact NE2-OE1 3.44Å; H89-E148 PolarHBondContact NE2-OE1 3.11Å; H101-E148 IonicContact CE1-OE1 3.84Å; H101-E148 WeakPolarHBondContact NE2-CG 3.45Å; H101-E148 IonicContact NE2-OE1 3.1Å; H101-E148 PolarHBondContact NE2-OE1 2.93Å; E148-C169 VanDerWaalsContact CD-SG 3.52Å; E148-Q274 PolarHBondContact OE2-NE2 2.84Å; E148-K281 PolarHBondContact O-NZ 3.36Å
149	H	84.9	Confident	87.8	Confident	1 Å²	1	51 Å²	51	1%	0.005	30%	0.301	C	S	.	.			trans	-122	98.7	179.2	-175.9	58.5	0	0	0	111.1	H101 N123 L127 G147 Y151 F455	H101-H149 PolarHBondContact CD2-O 3.17Å; N123-H149 PolarHBondContact O-CE1 2.98Å; N123-H149 PolarHBondContact O-NE2 3.46Å; L127-H149 HydrophobicContact CD1-CB 3.92Å; G147-H149 PolarHBondContact O-N 2.8Å; H149-Y151 AromaticContact ND1-CD2 3.75Å; H149-F455 HydrophobicContact CB-CD1 3.55Å; H149-F455 HydrophobicContact CB-CE1 3.73Å
150	C	89	Confident	87.4	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	31%	0.306	C	S	.	.			trans	-128.8	25.9	-171	67.7	0	0	0	0	111.1	H101 Y152 S167 T168 C169	H101-C150 VanDerWaalsContact CE1-CB 3.45Å; H101-C150 WeakPolarHBondContact CE1-CB 3.04Å; C150-Y152 WeakPolarHBondContact O-CD2 3.36Å; C150-Y152 VanDerWaalsContact O-CE2 3.23Å; C150-Y152 WeakPolarHBondContact O-CE2 3.36Å; C150-S167 WeakPolarHBondContact O-CA 3.42Å; C150-S167 PolarHBondContact SG-OG 2.99Å; C150-T168 PolarHBondContact O-N 3.14Å; C150-T168 PolarHBondContact O-OG1 2.92Å; C150-C169 HydrophobicContact CB-CB 3.92Å; C150-C169 WeakPolarHBondContact CB-SG 3.31Å; C150-C169 WeakPolarHBondContact SG-CA 3.01Å; C150-C169 WeakPolarHBondContact SG-CB 3.28Å; C150-C169 PolarHBondContact SG-N 2.03Å; C150-C169 CovalentContact SG-SG 1.98Å; C150-C169 PolarHBondContact SG-SG 3.47Å
151	Y	92.1	Very high	86.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.7	-168.7	-60	-83.5	0	0	0	109.2	L122 N123 L126 H149 S167 N278 K281 S282 N285	L122-Y151 WeakPolarHBondContact CD1-O 3.31Å; N123-Y151 WeakPolarHBondContact CB-O 3.01Å; N123-Y151 PolarHBondContact N-O 2.03Å; L126-Y151 VanDerWaalsContact CD2-CB 3.46Å; L126-Y151 HydrophobicContact CD2-CD1 4.25Å; L126-Y151 HydrophobicContact CD2-CD2 3.89Å; L126-Y151 HydrophobicContact CD2-CG 3.58Å; H149-Y151 AromaticContact ND1-CD2 3.75Å; Y151-S167 WeakPolarHBondContact CE1-OG 3Å; Y151-N278 VanDerWaalsContact OH-CA 3.28Å; Y151-N278 WeakPolarHBondContact OH-CA 3.28Å; Y151-N278 PolarHBondContact OH-O 3.23Å; Y151-K281 HydrophobicContact CD1-CB 4.43Å; Y151-K281 HydrophobicContact CD2-CB 4.37Å; Y151-K281 HydrophobicContact CE1-CB 3.66Å; Y151-K281 HydrophobicContact CE2-CB 3.62Å; Y151-K281 HydrophobicContact CE2-CD 3.53Å; Y151-K281 HydrophobicContact CE2-CG 4.2Å; Y151-K281 WeakPolarHBondContact OH-CB 3.1Å; Y151-S282 VanDerWaalsContact CE1-N 3.34Å; Y151-N285 HydrophobicContact CD1-CB 4.07Å; Y151-N285 HydrophobicContact CG-CB 4.46Å
152	Y	91.9	Very high	86.3	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	150.4	-169.1	-64.2	-107.4	0	0	0	110.6	T88 H101 L102 A105 L120 T121 L122 C150 A165 L166 T168 N285	T88-Y152 WeakPolarHBondContact CB-OH 3.29Å; T88-Y152 PolarHBondContact OG1-OH 3.22Å; H101-Y152 WeakPolarHBondContact CB-OH 3.25Å; L102-Y152 VanDerWaalsContact O-CE1 3.3Å; L102-Y152 WeakPolarHBondContact O-CE1 3.42Å; L102-Y152 PolarHBondContact O-OH 2.94Å; A105-Y152 HydrophobicContact CB-CE1 4.5Å; L120-Y152 HydrophobicContact CB-CD1 3.85Å; L120-Y152 HydrophobicContact CB-CG 4.16Å; L120-Y152 HydrophobicContact CD1-CG 4.42Å; T121-Y152 VanDerWaalsContact C-CD1 3.42Å; T121-Y152 VanDerWaalsContact O-CA 3.3Å; T121-Y152 WeakPolarHBondContact O-CA 3.16Å; T121-Y152 WeakPolarHBondContact O-CB 3.01Å; L122-Y152 VanDerWaalsContact CA-CD1 3.49Å; L122-Y152 HydrophobicContact CB-CD1 4.13Å; L122-Y152 HydrophobicContact CB-CE1 3.88Å; L122-Y152 HydrophobicContact CD1-CD1 4.24Å; L122-Y152 HydrophobicContact CD1-CD2 4.09Å; L122-Y152 HydrophobicContact CD1-CE1 3.81Å; L122-Y152 HydrophobicContact CD1-CE2 3.61Å; L122-Y152 HydrophobicContact CD1-CG 4.36Å; L122-Y152 VanDerWaalsContact CD1-CZ 3.45Å; L122-Y152 HydrophobicContact CG-CE1 4.46Å; L122-Y152 VanDerWaalsContact N-CD1 3.31Å; C150-Y152 WeakPolarHBondContact O-CD2 3.36Å; C150-Y152 VanDerWaalsContact O-CE2 3.23Å; C150-Y152 WeakPolarHBondContact O-CE2 3.36Å; Y152-A165 WeakPolarHBondContact O-CA 3.41Å; Y152-L166 PolarHBondContact N-O 2.78Å; Y152-L166 PolarHBondContact O-N 3.38Å; Y152-T168 HydrophobicContact CD2-CG2 3.86Å; Y152-T168 HydrophobicContact CE2-CG2 3.74Å; Y152-T168 WeakPolarHBondContact CE2-OG1 3.35Å; Y152-N285 PolarHBondContact O-ND2 3.25Å; Y152-N285 VanDerWaalsContact O-ND2 3.15Å
153	H	93.1	Very high	86	Confident	24 Å²	24	46.9 Å²	46.9	11%	0.111	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	160.3	161.6	-71.2	170.1	0	0	0	110	T121 N123 V164 N285 D288	T121-H153 PolarHBondContact N-O 3.32Å; T121-H153 PolarHBondContact O-N 3.4Å; N123-H153 PolarHBondContact ND2-CE1 3.03Å; N123-H153 PolarHBondContact ND2-NE2 2.96Å; H153-V164 CarbonylContact C-O 3.33Å; H153-V164 WeakPolarHBondContact CA-O 3.17Å; H153-N285 PolarHBondContact NE2-O 2.98Å; H153-N285 PolarHBondContact NE2-OD1 2.78Å; H153-D288 IonicContact CE1-OD2 3.54Å; H153-D288 PolarHBondContact CE1-OD2 3.5Å; H153-D288 VanDerWaalsContact CE1-OD2 3.23Å
154	G	90.9	Very high	86	Confident	18 Å²	18	41.9 Å²	41.9	19%	0.186	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.3	-163.8	-178.9	0	0	0	0	0	113.8	D119 V164	D119-G154 WeakPolarHBondContact O-CA 3.2Å; G154-V164 PolarHBondContact N-O 3.02Å; G154-V164 PolarHBondContact O-N 3.38Å
155	Q	90.9	Very high	86.3	Confident	93 Å²	93	39.8 Å²	39.8	44%	0.435	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	156.9	179.2	-60.2	-168.6	-19.3	0	0	110.4	D119 S160 S162	D119-Q155 PolarHBondContact N-O 3.15Å; D119-Q155 PolarHBondContact O-N 3.17Å; D119-Q155 VanDerWaalsContact O-N 3.08Å; Q155-S160 PolarHBondContact NE2-O 3.05Å; Q155-S162 WeakPolarHBondContact CG-O 3.26Å
156	V	92.1	Very high	86.9	Confident	8 Å²	8	33.1 Å²	33.1	5%	0.048	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	123.8	165.5	-176	0	0	0	0	108.1	F116 V117 L118 G158 C159 S162 V164 F176 D177	F116-V156 HydrophobicContact CD1-CG1 4.3Å; V117-V156 CarbonylContact O-C 3.55Å; V117-V156 WeakPolarHBondContact O-CA 3.32Å; L118-V156 HydrophobicContact CD2-CG2 3.8Å; V156-G158 PolarHBondContact O-N 3.5Å; V156-C159 HydrophobicContact CB-CB 4.24Å; V156-C159 PolarHBondContact O-N 2.87Å; V156-S162 WeakPolarHBondContact CA-OG 3.48Å; V156-S162 WeakPolarHBondContact CB-OG 3.18Å; V156-S162 PolarHBondContact N-OG 3.05Å; V156-S162 PolarHBondContact O-OG 2.95Å; V156-V164 HydrophobicContact CG2-CG2 4.23Å; V156-F176 HydrophobicContact CG2-CD2 4.03Å; V156-D177 WeakPolarHBondContact CG2-O 3.23Å
157	R	89.8	Confident	87.8	Confident	97 Å²	97	33 Å²	33	37%	0.366	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	124.4	-177.3	-170.6	176.9	-70.3	-177.8	-4.4	111.1	E80 V117 D119 C159	E80-R157 IonicContact OE1-CZ 3.86Å; E80-R157 IonicContact OE1-NH1 3.87Å; E80-R157 PolarHBondContact OE1-NH1 3.06Å; E80-R157 IonicContact OE1-NH2 2.84Å; E80-R157 PolarHBondContact OE1-NH2 2Å; E80-R157 IonicContact OE2-CZ 3Å; E80-R157 IonicContact OE2-NH1 3.47Å; E80-R157 PolarHBondContact OE2-NH1 3.26Å; V117-R157 HydrophobicContact CB-CB 3.91Å; V117-R157 HydrophobicContact CG1-CB 4.09Å; V117-R157 PolarHBondContact O-N 3.31Å; D119-R157 IonicContact OD1-CZ 3.67Å; D119-R157 IonicContact OD1-NE 3.68Å; D119-R157 PolarHBondContact OD1-NE 3.18Å; D119-R157 IonicContact OD1-NH2 2.69Å; D119-R157 PolarHBondContact OD1-NH2 3.05Å; D119-R157 VanDerWaalsContact OD2-CB 3.31Å; D119-R157 WeakPolarHBondContact OD2-CB 3.37Å; D119-R157 WeakPolarHBondContact OD2-CG 3.27Å; D119-R157 IonicContact OD2-CZ 3.98Å; D119-R157 IonicContact OD2-NE 3.68Å; D119-R157 PolarHBondContact OD2-NE 3.04Å; D119-R157 IonicContact OD2-NH2 2.63Å; R157-C159 VanDerWaalsContact C-N 3.35Å
158	G	85.4	Confident	88.5	Confident	82 Å²	82	32.4 Å²	32.4	85%	0.845	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.1	0	-178.9	0	0	0	0	0	114.8	V156	V156-G158 PolarHBondContact O-N 3.5Å
159	C	85.4	Confident	88.8	Confident	52 Å²	52	31.8 Å²	31.8	35%	0.351	19%	0.194	S	C	.	.			trans	-120	97.1	176	-66.4	0	0	0	0	110.4	V156 R157 N161 S162	V156-C159 HydrophobicContact CB-CB 4.24Å; V156-C159 PolarHBondContact O-N 2.87Å; R157-C159 VanDerWaalsContact C-N 3.35Å; C159-N161 VanDerWaalsContact C-N 3.25Å; C159-N161 PolarHBondContact O-N 2.81Å; C159-S162 WeakPolarHBondContact O-CB 3.31Å; C159-S162 PolarHBondContact O-N 3.46Å; C159-S162 PolarHBondContact O-OG 3.14Å
160	S	77.5	Confident	88.8	Confident	89 Å²	89	34.1 Å²	34.1	62%	0.622	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-27.9	-176.8	55	0	0	0	0	114.4	Q155 S162	Q155-S160 PolarHBondContact NE2-O 3.05Å; S160-S162 VanDerWaalsContact C-N 3.31Å
161	N	76.3	Confident	88.7	Confident	79 Å²	79	34.5 Å²	34.5	42%	0.422	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	10	-176.8	-60.8	-2.6	0	0	0	112.6	C159 H163 L210	C159-N161 VanDerWaalsContact C-N 3.25Å; C159-N161 PolarHBondContact O-N 2.81Å; N161-H163 PolarHBondContact O-CE1 3.33Å; N161-H163 PolarHBondContact O-ND1 3.08Å; N161-L210 HydrophobicContact CB-CD1 3.93Å; N161-L210 HydrophobicContact CB-CD2 4.47Å; N161-L210 WeakPolarHBondContact O-CD1 2.97Å
162	S	86.1	Confident	88.7	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.211	C	C	.	.			trans	-91.4	150.8	179.4	66.1	0	0	0	0	111.5	Q155 V156 C159 S160 D177	Q155-S162 WeakPolarHBondContact CG-O 3.26Å; V156-S162 WeakPolarHBondContact CA-OG 3.48Å; V156-S162 WeakPolarHBondContact CB-OG 3.18Å; V156-S162 PolarHBondContact N-OG 3.05Å; V156-S162 PolarHBondContact O-OG 2.95Å; C159-S162 WeakPolarHBondContact O-CB 3.31Å; C159-S162 PolarHBondContact O-N 3.46Å; C159-S162 PolarHBondContact O-OG 3.14Å; S160-S162 VanDerWaalsContact C-N 3.31Å; S162-D177 WeakPolarHBondContact CB-O 3Å
163	H	87.4	Confident	88.7	Confident	75 Å²	75	36 Å²	36	35%	0.347	22%	0.218	S	C	.	.			trans	-130.2	143.6	176.7	-53.6	81	0	0	0	110.1	N161 F176 D177 D293	N161-H163 PolarHBondContact O-CE1 3.33Å; N161-H163 PolarHBondContact O-ND1 3.08Å; H163-F176 CarbonylContact O-C 3.4Å; H163-F176 WeakPolarHBondContact O-CA 3.37Å; H163-F176 WeakPolarHBondContact O-CB 3.43Å; H163-D177 WeakPolarHBondContact CA-OD2 3.42Å; H163-D177 VanDerWaalsContact CB-OD2 3.32Å; H163-D177 WeakPolarHBondContact CB-OD2 3.48Å; H163-D177 IonicContact CG-OD2 2.75Å; H163-D177 PolarHBondContact N-OD2 3.26Å; H163-D177 IonicContact ND1-OD2 3.22Å; H163-D177 PolarHBondContact ND1-OD2 3.36Å; H163-D177 PolarHBondContact O-N 3.22Å; H163-D293 IonicContact NE2-OD1 3.69Å
164	V	91.9	Very high	88.6	Confident	5 Å²	5	34.9 Å²	34.9	3%	0.03	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.6	177.1	-174.2	0	0	0	0	108.5	L118 L120 H153 G154 V156 L166 F176	L118-V164 HydrophobicContact CB-CG2 4.49Å; L118-V164 HydrophobicContact CD1-CG1 4.31Å; L118-V164 HydrophobicContact CD2-CG2 4.08Å; L120-V164 HydrophobicContact CD2-CB 3.86Å; L120-V164 HydrophobicContact CD2-CG1 3.36Å; L120-V164 HydrophobicContact CD2-CG2 4.43Å; H153-V164 CarbonylContact C-O 3.33Å; H153-V164 WeakPolarHBondContact CA-O 3.17Å; G154-V164 PolarHBondContact N-O 3.02Å; G154-V164 PolarHBondContact O-N 3.38Å; V156-V164 HydrophobicContact CG2-CG2 4.23Å; V164-L166 HydrophobicContact CG1-CD1 3.57Å; V164-L166 HydrophobicContact CG1-CG 3.59Å; V164-F176 HydrophobicContact CB-CB 4.09Å; V164-F176 HydrophobicContact CG1-CB 3.93Å; V164-F176 HydrophobicContact CG2-CB 3.8Å
165	A	93.3	Very high	88.5	Confident	12 Å²	12	34.8 Å²	34.8	10%	0.099	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	107.5	171.2	0	0	0	0	0	109.6	Y152 M175 L286	Y152-A165 WeakPolarHBondContact O-CA 3.41Å; A165-M175 PolarHBondContact N-O 2.87Å; A165-M175 PolarHBondContact O-N 2.73Å; A165-M175 VanDerWaalsContact O-O 3.11Å; A165-L286 HydrophobicContact CB-CD2 3.73Å; A165-L286 WeakPolarHBondContact O-CD2 3.33Å
166	L	94.1	Very high	88.5	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	151.2	-169.7	-65.3	177.8	0	0	0	112.4	L118 L120 Y152 V164 H173 G174 I185	L118-L166 HydrophobicContact CD1-CD1 3.59Å; L120-L166 HydrophobicContact CD1-CB 4.4Å; L120-L166 HydrophobicContact CD1-CD1 4.05Å; L120-L166 HydrophobicContact CD2-CD1 4.47Å; Y152-L166 PolarHBondContact N-O 2.78Å; Y152-L166 PolarHBondContact O-N 3.38Å; V164-L166 HydrophobicContact CG1-CD1 3.57Å; V164-L166 HydrophobicContact CG1-CG 3.59Å; L166-H173 CarbonylContact C-O 3.59Å; L166-H173 WeakPolarHBondContact CA-O 3.21Å; L166-G174 VanDerWaalsContact CD2-C 3.46Å; L166-I185 HydrophobicContact CD2-CG2 3.47Å; L166-I185 VanDerWaalsContact CD2-CG2 3.47Å
167	S	92.9	Very high	88.2	Confident	4 Å²	4	30.8 Å²	30.8	3%	0.028	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	140.8	164.1	179.4	0	0	0	0	109.4	C150 Y151 C169 L172 H173 S282	C150-S167 WeakPolarHBondContact O-CA 3.42Å; C150-S167 PolarHBondContact SG-OG 2.99Å; Y151-S167 WeakPolarHBondContact CE1-OG 3Å; S167-C169 PolarHBondContact OG-N 3.01Å; S167-L172 WeakPolarHBondContact O-CA 3.16Å; S167-H173 PolarHBondContact N-O 3.13Å; S167-H173 PolarHBondContact O-N 3.43Å; S167-S282 WeakPolarHBondContact CB-OG 3.11Å
168	T	91.6	Very high	87.7	Confident	6 Å²	6	27.9 Å²	27.9	4%	0.037	18%	0.181	C	C	.	.			trans	-111.8	4.1	172.4	69.7	0	0	0	0	113.1	T88 F107 C150 Y152 N170 G171 L172	T88-T168 HydrophobicContact CG2-CG2 4.11Å; T88-T168 PolarHBondContact OG1-OG1 2.7Å; F107-T168 HydrophobicContact CE2-CG2 4.06Å; F107-T168 HydrophobicContact CZ-CG2 3.99Å; C150-T168 PolarHBondContact O-N 3.14Å; C150-T168 PolarHBondContact O-OG1 2.92Å; Y152-T168 HydrophobicContact CD2-CG2 3.86Å; Y152-T168 HydrophobicContact CE2-CG2 3.74Å; Y152-T168 WeakPolarHBondContact CE2-OG1 3.35Å; T168-N170 PolarHBondContact O-N 3.2Å; T168-G171 CarbonylContact C-O 3.52Å; T168-G171 WeakPolarHBondContact CA-O 3.45Å; T168-L172 HydrophobicContact CG2-CD2 3.97Å
169	C	87.5	Confident	87.1	Confident	21 Å²	21	24.4 Å²	24.4	14%	0.142	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-30.7	-174.8	-81.6	0	0	0	0	112.8	E148 C150 S167 N278	E148-C169 VanDerWaalsContact CD-SG 3.52Å; C150-C169 HydrophobicContact CB-CB 3.92Å; C150-C169 WeakPolarHBondContact CB-SG 3.31Å; C150-C169 WeakPolarHBondContact SG-CA 3.01Å; C150-C169 WeakPolarHBondContact SG-CB 3.28Å; C150-C169 PolarHBondContact SG-N 2.03Å; C150-C169 CovalentContact SG-SG 1.98Å; C150-C169 PolarHBondContact SG-SG 3.47Å; S167-C169 PolarHBondContact OG-N 3.01Å; C169-N278 WeakPolarHBondContact CB-ND2 3.35Å
170	N	85.5	Confident	86.6	Confident	50 Å²	50	25 Å²	25	27%	0.267	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-148.2	64.6	-178.8	-171.4	7.7	0	0	0	111	T168 P187 Q190 R199	T168-N170 PolarHBondContact O-N 3.2Å; N170-P187 WeakPolarHBondContact O-CG 3.41Å; N170-Q190 PolarHBondContact ND2-O 3.2Å; N170-Q190 PolarHBondContact OD1-O 3.46Å; N170-R199 VanDerWaalsContact C-NH1 3.34Å; N170-R199 PolarHBondContact O-NH1 3.36Å; N170-R199 PolarHBondContact O-NH2 3.03Å; N170-R199 VanDerWaalsContact OD1-CZ 3.26Å; N170-R199 PolarHBondContact OD1-NH1 3.29Å; N170-R199 PolarHBondContact OD1-NH2 2.82Å
171	G	87.8	Confident	86.6	Confident	8 Å²	8	23.4 Å²	23.4	8%	0.082	13%	0.129	C	C	.	.	S	Bend	trans	77.1	-177.1	-166.4	0	0	0	0	0	111.2	T168 H173	T168-G171 CarbonylContact C-O 3.52Å; T168-G171 WeakPolarHBondContact CA-O 3.45Å; G171-H173 PolarHBondContact O-N 3.23Å
172	L	91.5	Very high	86.9	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.111	C	C	.	.			trans	-81	118.9	179.8	-61.4	-175.9	0	0	0	110.1	P68 L86 F107 S167 T168 I185 P187 H201	P68-L172 HydrophobicContact CB-CD1 3.6Å; P68-L172 HydrophobicContact CG-CD1 3.93Å; P68-L172 HydrophobicContact CG-CG 4.48Å; L86-L172 HydrophobicContact CD1-CG 4.38Å; F107-L172 HydrophobicContact CB-CD1 4.11Å; F107-L172 HydrophobicContact CD1-CD1 4.02Å; F107-L172 HydrophobicContact CD1-CD2 4.02Å; F107-L172 HydrophobicContact CD1-CG 4.46Å; F107-L172 HydrophobicContact CD2-CD2 4.19Å; F107-L172 HydrophobicContact CE1-CD2 3.9Å; F107-L172 HydrophobicContact CE2-CD2 4.09Å; F107-L172 HydrophobicContact CG-CD1 4.05Å; F107-L172 HydrophobicContact CG-CD2 4.14Å; F107-L172 HydrophobicContact CZ-CD2 3.93Å; S167-L172 WeakPolarHBondContact O-CA 3.16Å; T168-L172 HydrophobicContact CG2-CD2 3.97Å; L172-I185 HydrophobicContact CB-CD1 4Å; L172-I185 HydrophobicContact CB-CG1 4.43Å; L172-I185 HydrophobicContact CD1-CD1 4.23Å; L172-P187 WeakPolarHBondContact O-CD 3.27Å; L172-H201 PolarHBondContact N-NE2 3.19Å; L172-H201 PolarHBondContact O-CD2 3.1Å
173	H	91.1	Very high	86.9	Confident	31 Å²	31	20 Å²	20	14%	0.144	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	123.9	178.1	179.9	-103.2	0	0	0	110.6	L166 S167 G171 I185 E186 S282 T377	L166-H173 CarbonylContact C-O 3.59Å; L166-H173 WeakPolarHBondContact CA-O 3.21Å; S167-H173 PolarHBondContact N-O 3.13Å; S167-H173 PolarHBondContact O-N 3.43Å; G171-H173 PolarHBondContact O-N 3.23Å; H173-I185 WeakPolarHBondContact CA-O 3.01Å; H173-E186 IonicContact CD2-OE1 3.12Å; H173-E186 IonicContact NE2-OE1 2.72Å; H173-E186 PolarHBondContact NE2-OE1 3.22Å; H173-S282 PolarHBondContact ND1-OG 2.95Å; H173-T377 VanDerWaalsContact CE1-CG2 3.46Å; H173-T377 WeakPolarHBondContact CE1-CG2 3.37Å; H173-T377 PolarHBondContact CE1-OG1 3.01Å; H173-T377 PolarHBondContact NE2-OG1 3.12Å
174	G	90.9	Very high	87	Confident	1 Å²	1	17 Å²	17	1%	0.01	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145	-153.1	176.8	0	0	0	0	0	112.4	L166 L184 I185	L166-G174 VanDerWaalsContact CD2-C 3.46Å; G174-L184 WeakPolarHBondContact O-CD1 3.41Å; G174-I185 PolarHBondContact N-O 2.03Å; G174-I185 PolarHBondContact O-N 3.28Å
175	M	89.8	Confident	86.9	Confident	17 Å²	17	16.8 Å²	16.8	8%	0.084	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	148.6	-168.9	-59.3	174.8	60.2	0	0	112.3	A165 Y183 L184 L286	A165-M175 PolarHBondContact N-O 2.87Å; A165-M175 PolarHBondContact O-N 2.73Å; A165-M175 VanDerWaalsContact O-O 3.11Å; M175-Y183 CarbonylContact C-O 3.58Å; M175-Y183 WeakPolarHBondContact CA-O 3.47Å; M175-L184 HydrophobicContact CG-CB 4.46Å; M175-L184 HydrophobicContact CG-CD1 3.61Å; M175-L184 HydrophobicContact SD-CD1 4.26Å; M175-L286 HydrophobicContact CB-CD2 3.8Å; M175-L286 HydrophobicContact CG-CD1 4.21Å; M175-L286 HydrophobicContact CG-CD2 3.97Å; M175-L286 HydrophobicContact SD-CD1 3.84Å; M175-L286 HydrophobicContact SD-CD2 4.28Å
176	F	89.9	Confident	86.8	Confident	4 Å²	4	18.3 Å²	18.3	2%	0.018	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	157.7	168.4	68.1	-84.3	0	0	0	111.3	L109 F116 L118 V156 H163 V164 Y183 I203	L109-F176 HydrophobicContact CD1-CZ 4.19Å; L109-F176 HydrophobicContact CD2-CE1 4.27Å; L109-F176 HydrophobicContact CD2-CZ 4.4Å; F116-F176 HydrophobicContact CB-CE2 4.46Å; F116-F176 AromaticContact CD1-CE2 3.97Å; F116-F176 HydrophobicContact CD1-CE2 3.97Å; F116-F176 HydrophobicContact CD2-CZ 4.48Å; F116-F176 HydrophobicContact CE1-CE2 4.36Å; F116-F176 HydrophobicContact CG-CE2 4.07Å; F116-F176 HydrophobicContact CG-CZ 4.36Å; L118-F176 HydrophobicContact CD1-CD1 4.17Å; L118-F176 HydrophobicContact CD1-CE1 4.38Å; L118-F176 HydrophobicContact CD1-CG 4.45Å; L118-F176 HydrophobicContact CD2-CD2 3.94Å; L118-F176 HydrophobicContact CD2-CE2 4.18Å; L118-F176 HydrophobicContact CD2-CG 4.15Å; V156-F176 HydrophobicContact CG2-CD2 4.03Å; H163-F176 CarbonylContact O-C 3.4Å; H163-F176 WeakPolarHBondContact O-CA 3.37Å; H163-F176 WeakPolarHBondContact O-CB 3.43Å; V164-F176 HydrophobicContact CB-CB 4.09Å; V164-F176 HydrophobicContact CG1-CB 3.93Å; V164-F176 HydrophobicContact CG2-CB 3.8Å; F176-Y183 AromaticContact CD2-CD2 3.77Å; F176-Y183 HydrophobicContact CD2-CD2 3.77Å; F176-Y183 HydrophobicContact CD2-CG 4.27Å; F176-Y183 VanDerWaalsContact CE1-CB 3.44Å; F176-Y183 HydrophobicContact CE1-CG 4.14Å; F176-Y183 AromaticContact CE2-CD2 3.39Å; F176-Y183 HydrophobicContact CE2-CD2 3.39Å; F176-Y183 HydrophobicContact CE2-CE2 4.07Å; F176-Y183 AromaticContact CE2-CG 3.69Å; F176-Y183 HydrophobicContact CE2-CG 3.69Å; F176-Y183 VanDerWaalsContact CZ-CB 3.47Å; F176-Y183 HydrophobicContact CZ-CD1 4.31Å; F176-Y183 AromaticContact CZ-CD2 3.85Å; F176-Y183 HydrophobicContact CZ-CD2 3.85Å; F176-Y183 AromaticContact CZ-CG 3.62Å; F176-Y183 HydrophobicContact CZ-CG 3.62Å; F176-Y183 PolarHBondContact N-O 3.36Å; F176-Y183 PolarHBondContact O-N 2.92Å; F176-I203 HydrophobicContact CE1-CD1 3.91Å; F176-I203 HydrophobicContact CZ-CD1 3.77Å
177	D	85.9	Confident	86.6	Confident	12 Å²	12	19.7 Å²	19.7	6%	0.064	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	152.7	171	83.7	95.8	0	0	0	110.8	V156 S162 H163 G179 H181	V156-D177 WeakPolarHBondContact CG2-O 3.23Å; S162-D177 WeakPolarHBondContact CB-O 3Å; H163-D177 WeakPolarHBondContact CA-OD2 3.42Å; H163-D177 VanDerWaalsContact CB-OD2 3.32Å; H163-D177 WeakPolarHBondContact CB-OD2 3.48Å; H163-D177 IonicContact CG-OD2 2.75Å; H163-D177 PolarHBondContact N-OD2 3.26Å; H163-D177 IonicContact ND1-OD2 3.22Å; H163-D177 PolarHBondContact ND1-OD2 3.36Å; H163-D177 PolarHBondContact O-N 3.22Å; D177-G179 PolarHBondContact OD1-N 2.84Å; D177-H181 VanDerWaalsContact CA-O 3.24Å; D177-H181 WeakPolarHBondContact CA-O 3.26Å; D177-H181 WeakPolarHBondContact CB-O 3.49Å
178	D	80.8	Confident	86.2	Confident	36 Å²	36	23.3 Å²	23.3	19%	0.193	13%	0.129	C	C	.	.			trans	-107.6	11.6	177.6	71.8	-7.8	0	0	0	112.9	F116 V180 H181 Y183	F116-D178 HydrophobicContact CE1-CB 3.99Å; D178-V180 WeakPolarHBondContact OD1-CA 3.28Å; D178-V180 PolarHBondContact OD1-N 3.27Å; D178-H181 PolarHBondContact N-O 2.88Å; D178-H181 VanDerWaalsContact N-O 3.08Å; D178-H181 PolarHBondContact OD1-N 2.84Å; D178-Y183 HydrophobicContact CB-CE2 4.08Å; D178-Y183 PolarHBondContact OD2-OH 3.47Å
179	G	72.9	Confident	85.4	Confident	9 Å²	9	27.9 Å²	27.9	9%	0.093	15%	0.15	C	C	.	.	S	Bend	trans	97.5	-39.1	-165.1	0	0	0	0	0	114.1	D177 L210	D177-G179 PolarHBondContact OD1-N 2.84Å; G179-L210 VanDerWaalsContact CA-CD1 3.49Å; G179-L210 WeakPolarHBondContact O-CA 3.37Å; G179-L210 WeakPolarHBondContact O-CB 3.42Å; G179-L210 PolarHBondContact O-N 2.99Å
180	V	73.3	Confident	84.3	Confident	65 Å²	65	32.8 Å²	32.8	39%	0.394	17%	0.171	S	C	.	.	S	Bend	trans	-116.3	-30.8	-167.6	-173.2	0	0	0	0	111.8	D178 S208	D178-V180 WeakPolarHBondContact OD1-CA 3.28Å; D178-V180 PolarHBondContact OD1-N 3.27Å; V180-S208 CarbonylContact C-O 3.49Å; V180-S208 CarbonylContact O-C 3.3Å; V180-S208 WeakPolarHBondContact O-CA 2.98Å; V180-S208 PolarHBondContact O-N 3.34Å
181	H	78.4	Confident	83.2	Confident	55 Å²	55	33.3 Å²	33.3	26%	0.255	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	150.1	178.2	-60.6	95.5	0	0	0	111.1	D177 D178 Y183 R205 A206 S208	D177-H181 VanDerWaalsContact CA-O 3.24Å; D177-H181 WeakPolarHBondContact CA-O 3.26Å; D177-H181 WeakPolarHBondContact CB-O 3.49Å; D178-H181 PolarHBondContact N-O 2.88Å; D178-H181 VanDerWaalsContact N-O 3.08Å; D178-H181 PolarHBondContact OD1-N 2.84Å; H181-Y183 HydrophobicContact CB-CD2 4.44Å; H181-Y183 HydrophobicContact CB-CE1 4.31Å; H181-Y183 HydrophobicContact CB-CE2 3.59Å; H181-Y183 WeakPolarHBondContact CB-OH 3.49Å; H181-Y183 WeakPolarHBondContact O-CE2 3.08Å; H181-R205 HydrophobicContact CB-CG 3.92Å; H181-A206 CarbonylContact C-O 3.55Å; H181-A206 WeakPolarHBondContact CA-O 3.46Å; H181-A206 WeakPolarHBondContact CB-O 3.34Å; H181-S208 VanDerWaalsContact CA-N 3.32Å; H181-S208 WeakPolarHBondContact O-CB 3.49Å
182	A	82.1	Confident	82.1	Confident	4 Å²	4	35.5 Å²	35.5	3%	0.033	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	139.8	173.1	0	0	0	0	0	108.3	A206 S208	A182-A206 PolarHBondContact N-O 3.47Å; A182-A206 PolarHBondContact O-N 2.9Å; A182-S208 VanDerWaalsContact N-CB 3.29Å
183	Y	86.9	Confident	80.5	Confident	3 Å²	3	42.6 Å²	42.6	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	126.5	-170.7	-60.3	-86.5	0	0	0	109.5	F112 F116 M175 F176 D178 H181 I203 K204 R205	F112-Y183 HydrophobicContact CD2-CD1 4.25Å; F112-Y183 AromaticContact CD2-CE1 3.72Å; F112-Y183 HydrophobicContact CD2-CE1 3.72Å; F112-Y183 AromaticContact CE2-CD1 3.97Å; F112-Y183 HydrophobicContact CE2-CD1 3.97Å; F112-Y183 AromaticContact CE2-CE1 3.88Å; F112-Y183 HydrophobicContact CE2-CE1 3.88Å; F116-Y183 HydrophobicContact CE1-CE2 4.21Å; F116-Y183 HydrophobicContact CZ-CE1 4.22Å; F116-Y183 HydrophobicContact CZ-CE2 4.17Å; F116-Y183 AromaticContact CZ-CZ 3.72Å; M175-Y183 CarbonylContact C-O 3.58Å; M175-Y183 WeakPolarHBondContact CA-O 3.47Å; F176-Y183 AromaticContact CD2-CD2 3.77Å; F176-Y183 HydrophobicContact CD2-CD2 3.77Å; F176-Y183 HydrophobicContact CD2-CG 4.27Å; F176-Y183 VanDerWaalsContact CE1-CB 3.44Å; F176-Y183 HydrophobicContact CE1-CG 4.14Å; F176-Y183 AromaticContact CE2-CD2 3.39Å; F176-Y183 HydrophobicContact CE2-CD2 3.39Å; F176-Y183 HydrophobicContact CE2-CE2 4.07Å; F176-Y183 AromaticContact CE2-CG 3.69Å; F176-Y183 HydrophobicContact CE2-CG 3.69Å; F176-Y183 VanDerWaalsContact CZ-CB 3.47Å; F176-Y183 HydrophobicContact CZ-CD1 4.31Å; F176-Y183 AromaticContact CZ-CD2 3.85Å; F176-Y183 HydrophobicContact CZ-CD2 3.85Å; F176-Y183 AromaticContact CZ-CG 3.62Å; F176-Y183 HydrophobicContact CZ-CG 3.62Å; F176-Y183 PolarHBondContact N-O 3.36Å; F176-Y183 PolarHBondContact O-N 2.92Å; D178-Y183 HydrophobicContact CB-CE2 4.08Å; D178-Y183 PolarHBondContact OD2-OH 3.47Å; H181-Y183 HydrophobicContact CB-CD2 4.44Å; H181-Y183 HydrophobicContact CB-CE1 4.31Å; H181-Y183 HydrophobicContact CB-CE2 3.59Å; H181-Y183 WeakPolarHBondContact CB-OH 3.49Å; H181-Y183 WeakPolarHBondContact O-CE2 3.08Å; Y183-I203 HydrophobicContact CD1-CD1 3.82Å; Y183-I203 HydrophobicContact CD1-CG1 4.12Å; Y183-I203 HydrophobicContact CG-CD1 4.25Å; Y183-K204 VanDerWaalsContact CA-O 3.29Å; Y183-K204 WeakPolarHBondContact CA-O 3.28Å; Y183-R205 HydrophobicContact CD1-CB 4.11Å; Y183-R205 HydrophobicContact CD1-CG 4.24Å; Y183-R205 HydrophobicContact CE1-CB 3.97Å; Y183-R205 HydrophobicContact CE1-CG 3.74Å
184	L	88.3	Confident	79.2	Confident	13 Å²	13	45.9 Å²	45.9	7%	0.068	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.9	168	175.1	72.5	0	0	0	108	G174 M175 E186 I203 K204	G174-L184 WeakPolarHBondContact O-CD1 3.41Å; M175-L184 HydrophobicContact CG-CB 4.46Å; M175-L184 HydrophobicContact CG-CD1 3.61Å; M175-L184 HydrophobicContact SD-CD1 4.26Å; L184-E186 HydrophobicContact CD1-CG 4.22Å; L184-E186 HydrophobicContact CD2-CG 4.28Å; L184-E186 HydrophobicContact CG-CG 4.01Å; L184-I203 CarbonylContact O-C 3.18Å; L184-I203 VanDerWaalsContact O-CA 3.31Å; L184-I203 WeakPolarHBondContact O-CA 3.49Å; L184-K204 HydrophobicContact CB-CB 4.43Å; L184-K204 HydrophobicContact CD2-CD 4.31Å; L184-K204 PolarHBondContact N-O 2.95Å; L184-K204 PolarHBondContact O-N 2.89Å
185	I	91.3	Very high	77.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.5	175.5	-173.2	168	0	0	0	110.1	T66 L109 L166 L172 H173 G174 H201 T202	T66-I185 HydrophobicContact CG2-CD1 4.27Å; L109-I185 HydrophobicContact CD2-CD1 4Å; L166-I185 HydrophobicContact CD2-CG2 3.47Å; L166-I185 VanDerWaalsContact CD2-CG2 3.47Å; L172-I185 HydrophobicContact CB-CD1 4Å; L172-I185 HydrophobicContact CB-CG1 4.43Å; L172-I185 HydrophobicContact CD1-CD1 4.23Å; H173-I185 WeakPolarHBondContact CA-O 3.01Å; G174-I185 PolarHBondContact N-O 2.03Å; G174-I185 PolarHBondContact O-N 3.28Å; I185-H201 HydrophobicContact CD1-CB 4.06Å; I185-H201 HydrophobicContact CG1-CB 3.89Å; I185-T202 WeakPolarHBondContact CA-O 3.47Å
186	E	90.2	Very high	76	Confident	44 Å²	44	57.1 Å²	57.1	21%	0.206	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	141.6	178.3	-55.8	-174.7	117.5	0	0	110.6	H173 L184 L188 H201 T202 K204 T377	H173-E186 IonicContact CD2-OE1 3.12Å; H173-E186 IonicContact NE2-OE1 2.72Å; H173-E186 PolarHBondContact NE2-OE1 3.22Å; L184-E186 HydrophobicContact CD1-CG 4.22Å; L184-E186 HydrophobicContact CD2-CG 4.28Å; L184-E186 HydrophobicContact CG-CG 4.01Å; E186-L188 PolarHBondContact O-N 3.1Å; E186-H201 CarbonylContact O-C 3.53Å; E186-H201 WeakPolarHBondContact O-CA 3.07Å; E186-T202 PolarHBondContact N-O 2.78Å; E186-T202 PolarHBondContact O-N 2.83Å; E186-K204 IonicContact OE2-NZ 3.69Å; E186-T377 PolarHBondContact OE1-OG1 2.88Å
187	P	89.1	Confident	74.7	Confident	31 Å²	31	58.8 Å²	58.8	20%	0.201	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	135.8	174.8	-17.2	29.7	0	0	0	111.1	N170 L172 H189	N170-P187 WeakPolarHBondContact O-CG 3.41Å; L172-P187 WeakPolarHBondContact O-CD 3.27Å; P187-H189 VanDerWaalsContact C-N 3.33Å; P187-H189 PolarHBondContact O-N 3.27Å
188	L	84.4	Confident	74.1	Confident	79 Å²	79	59.4 Å²	59.4	41%	0.414	33%	0.331	S	S	.	.	S	Bend	trans	-68.3	-34.9	-180	-172.3	68.8	0	0	0	112.4	E186 P200	E186-L188 PolarHBondContact O-N 3.1Å; L188-P200 HydrophobicContact CB-CB 4.33Å; L188-P200 HydrophobicContact CB-CG 4.22Å; L188-P200 WeakPolarHBondContact CB-O 3.3Å; L188-P200 HydrophobicContact CD2-CB 4.15Å; L188-P200 HydrophobicContact CD2-CG 4.06Å; L188-P200 PolarHBondContact N-O 2.72Å; L188-P200 VanDerWaalsContact N-O 3.09Å
189	H	74.8	Confident	74.1	Confident	102 Å²	102	58.5 Å²	58.5	47%	0.472	33%	0.325	S	S	.	.	S	Bend	trans	-122.7	147.8	178.5	-63.4	91.5	0	0	0	110.2	P187 R199	P187-H189 VanDerWaalsContact C-N 3.33Å; P187-H189 PolarHBondContact O-N 3.27Å; H189-R199 PolarHBondContact O-NH2 3.3Å
190	Q	64.9	Low	74.9	Confident	125 Å²	125	59.4 Å²	59.4	58%	0.584	33%	0.329	S	S	*	.	S	Bend	trans	-74.4	-24.4	-179.4	-70.5	-177.5	-12.8	0	0	113.8	N170 R199	N170-Q190 PolarHBondContact ND2-O 3.2Å; N170-Q190 PolarHBondContact OD1-O 3.46Å; Q190-R199 PolarHBondContact O-NH2 3.01Å
191	A	61.9	Low	75.8	Confident	60 Å²	60	56.3 Å²	56.3	50%	0.496	31%	0.31	S	S	.	.	S	Bend	trans	-118.4	140	176	0	0	0	0	0	109.8
192	H	64.8	Low	76.4	Confident	54 Å²	54	55.1 Å²	55.1	25%	0.25	31%	0.307	C	S	.	.			trans	-81.9	115.7	168.1	-167.3	-126.7	0	0	0	107.8	I194 D195 A197 R199	H192-I194 PolarHBondContact CE1-O 3.44Å; H192-I194 PolarHBondContact ND1-O 2.51Å; H192-I194 PolarHBondContact NE2-O 3.45Å; H192-D195 IonicContact ND1-OD1 3.11Å; H192-A197 PolarHBondContact CE1-O 2.77Å; H192-A197 VanDerWaalsContact CE1-O 3.29Å; H192-A197 PolarHBondContact NE2-O 3.19Å; H192-R199 VanDerWaalsContact CD2-CB 3.46Å; H192-R199 WeakPolarHBondContact CD2-CB 3.46Å
193	L	58.6	Low	76.8	Confident	150 Å²	150	54.9 Å²	54.9	79%	0.785	31%	0.305	S	S	*	.	S	Bend	trans	-83.8	-19.2	-170.1	-67.6	166.9	0	0	0	112.8
194	I	63.4	Low	76.8	Confident	100 Å²	100	57.6 Å²	57.6	51%	0.513	32%	0.317	S	S	.	.			trans	-149.1	104	-173.7	-53.4	175.9	0	0	0	109.1	H192 T196 A197	H192-I194 PolarHBondContact CE1-O 3.44Å; H192-I194 PolarHBondContact ND1-O 2.51Å; H192-I194 PolarHBondContact NE2-O 3.45Å; I194-T196 WeakPolarHBondContact CG2-OG1 3.28Å; I194-T196 PolarHBondContact O-N 2.61Å; I194-A197 HydrophobicContact CB-CB 4.12Å; I194-A197 HydrophobicContact CG2-CB 4.13Å; I194-A197 PolarHBondContact O-N 2.04Å
195	D	57.5	Low	76.6	Confident	133 Å²	133	59.6 Å²	59.6	71%	0.711	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-22.7	-176.7	-70.6	-18.5	0	0	0	114.5	H192	H192-D195 IonicContact ND1-OD1 3.11Å
196	T	55.8	Low	75.5	Confident	121 Å²	121	61.3 Å²	61.3	74%	0.742	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-6	-179	60.8	0	0	0	0	114.7	I194	I194-T196 WeakPolarHBondContact CG2-OG1 3.28Å; I194-T196 PolarHBondContact O-N 2.61Å
197	A	64.2	Low	74	Confident	39 Å²	39	60.8 Å²	60.8	32%	0.322	34%	0.341	S	S	.	.	S	Bend	trans	-107.4	143.8	-175.7	0	0	0	0	0	112	H192 I194 R199	H192-A197 PolarHBondContact CE1-O 2.77Å; H192-A197 VanDerWaalsContact CE1-O 3.29Å; H192-A197 PolarHBondContact NE2-O 3.19Å; I194-A197 HydrophobicContact CB-CB 4.12Å; I194-A197 HydrophobicContact CG2-CB 4.13Å; I194-A197 PolarHBondContact O-N 2.04Å; A197-R199 PolarHBondContact O-N 3.32Å
198	A	71.5	Confident	72.1	Confident	25 Å²	25	60 Å²	60	21%	0.207	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-59.7	125.8	175.2	0	0	0	0	0	111	Y67 H84 P200	Y67-A198 HydrophobicContact CD1-CB 3.82Å; Y67-A198 HydrophobicContact CG-CB 4.39Å; H84-A198 HydrophobicContact CB-CB 4.36Å; A198-P200 WeakPolarHBondContact O-CD 3.09Å
199	R	82.6	Confident	70.5	Confident	17 Å²	17	58 Å²	58	6%	0.064	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-78.1	121.8	179.4	-171.7	172.1	-178.4	174.1	-4.1	110.3	L86 N170 H189 Q190 H192 A197 H201	L86-R199 HydrophobicContact CD1-CB 4.4Å; N170-R199 VanDerWaalsContact C-NH1 3.34Å; N170-R199 PolarHBondContact O-NH1 3.36Å; N170-R199 PolarHBondContact O-NH2 3.03Å; N170-R199 VanDerWaalsContact OD1-CZ 3.26Å; N170-R199 PolarHBondContact OD1-NH1 3.29Å; N170-R199 PolarHBondContact OD1-NH2 2.82Å; H189-R199 PolarHBondContact O-NH2 3.3Å; Q190-R199 PolarHBondContact O-NH2 3.01Å; H192-R199 VanDerWaalsContact CD2-CB 3.46Å; H192-R199 WeakPolarHBondContact CD2-CB 3.46Å; A197-R199 PolarHBondContact O-N 3.32Å; R199-H201 PolarHBondContact O-CE1 2.77Å; R199-H201 PolarHBondContact O-ND1 3.22Å
200	P	89.1	Confident	69	Low	27 Å²	27	56 Å²	56	18%	0.175	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-71.1	139	177.6	27.3	-33	0	0	0	111.6	I65 Y67 L188 A198	I65-P200 HydrophobicContact CG2-CB 4.16Å; Y67-P200 HydrophobicContact CD1-CB 4.3Å; Y67-P200 HydrophobicContact CE1-CB 3.72Å; Y67-P200 HydrophobicContact CE1-CG 4.43Å; L188-P200 HydrophobicContact CB-CB 4.33Å; L188-P200 HydrophobicContact CB-CG 4.22Å; L188-P200 WeakPolarHBondContact CB-O 3.3Å; L188-P200 HydrophobicContact CD2-CB 4.15Å; L188-P200 HydrophobicContact CD2-CG 4.06Å; L188-P200 PolarHBondContact N-O 2.72Å; L188-P200 VanDerWaalsContact N-O 3.09Å; A198-P200 WeakPolarHBondContact O-CD 3.09Å
201	H	91.8	Very high	67.6	Low	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145	174.9	-67	68.9	0	0	0	109.8	I65 T66 P68 L86 L172 I185 E186 R199	I65-H201 CarbonylContact C-O 3.6Å; I65-H201 WeakPolarHBondContact CA-O 3.05Å; T66-H201 HydrophobicContact CG2-CB 4.03Å; T66-H201 PolarHBondContact N-O 2.79Å; T66-H201 PolarHBondContact O-N 3.3Å; P68-H201 VanDerWaalsContact CD-ND1 3.28Å; P68-H201 WeakPolarHBondContact CD-ND1 3.32Å; P68-H201 HydrophobicContact CG-CB 4.46Å; P68-H201 WeakPolarHBondContact CG-ND1 3.37Å; L86-H201 WeakPolarHBondContact CD1-CE1 3.39Å; L172-H201 PolarHBondContact N-NE2 3.19Å; L172-H201 PolarHBondContact O-CD2 3.1Å; I185-H201 HydrophobicContact CD1-CB 4.06Å; I185-H201 HydrophobicContact CG1-CB 3.89Å; E186-H201 CarbonylContact O-C 3.53Å; E186-H201 WeakPolarHBondContact O-CA 3.07Å; R199-H201 PolarHBondContact O-CE1 2.77Å; R199-H201 PolarHBondContact O-ND1 3.22Å
202	T	91.2	Very high	66.1	Low	30 Å²	30	54.8 Å²	54.8	18%	0.184	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	132.4	167.4	-55.6	0	0	0	0	107.9	I185 E186 K204	I185-T202 WeakPolarHBondContact CA-O 3.47Å; E186-T202 PolarHBondContact N-O 2.78Å; E186-T202 PolarHBondContact O-N 2.83Å; T202-K204 HydrophobicContact CG2-CG 4.32Å
203	I	90.8	Very high	64.5	Low	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.8	170.8	-169.8	173.5	0	0	0	109.2	H63 A64 T66 L109 A111 F112 F176 Y183 L184	H63-I203 WeakPolarHBondContact CA-O 3.32Å; A64-I203 HydrophobicContact CB-CG2 3.78Å; A64-I203 PolarHBondContact N-O 2.76Å; A64-I203 PolarHBondContact O-N 2.93Å; T66-I203 HydrophobicContact CG2-CB 4.3Å; T66-I203 HydrophobicContact CG2-CG2 4.21Å; L109-I203 HydrophobicContact CD1-CD1 4Å; A111-I203 HydrophobicContact CB-CD1 3.86Å; A111-I203 HydrophobicContact CB-CG2 3.62Å; F112-I203 HydrophobicContact CE2-CD1 4.31Å; F112-I203 HydrophobicContact CE2-CG1 4.14Å; F112-I203 HydrophobicContact CE2-CG2 3.78Å; F112-I203 HydrophobicContact CZ-CG2 4.15Å; F176-I203 HydrophobicContact CE1-CD1 3.91Å; F176-I203 HydrophobicContact CZ-CD1 3.77Å; Y183-I203 HydrophobicContact CD1-CD1 3.82Å; Y183-I203 HydrophobicContact CD1-CG1 4.12Å; Y183-I203 HydrophobicContact CG-CD1 4.25Å; L184-I203 CarbonylContact O-C 3.18Å; L184-I203 VanDerWaalsContact O-CA 3.31Å; L184-I203 WeakPolarHBondContact O-CA 3.49Å
204	K	86.8	Confident	63.1	Low	59 Å²	59	62.6 Å²	62.6	26%	0.257	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.1	177.2	-54.3	-175.7	-169.6	161.1	0	108.5	E62 H63 Y183 L184 E186 T202	E62-K204 WeakPolarHBondContact O-CA 3.25Å; H63-K204 WeakPolarHBondContact CE1-CD 3.33Å; H63-K204 VanDerWaalsContact CE1-CE 3.4Å; H63-K204 WeakPolarHBondContact CE1-CE 3.42Å; Y183-K204 VanDerWaalsContact CA-O 3.29Å; Y183-K204 WeakPolarHBondContact CA-O 3.28Å; L184-K204 HydrophobicContact CB-CB 4.43Å; L184-K204 HydrophobicContact CD2-CD 4.31Å; L184-K204 PolarHBondContact N-O 2.95Å; L184-K204 PolarHBondContact O-N 2.89Å; E186-K204 IonicContact OE2-NZ 3.69Å; T202-K204 HydrophobicContact CG2-CG 4.32Å
205	R	82.9	Confident	61.4	Low	56 Å²	56	60.9 Å²	60.9	21%	0.211	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	129.6	176.9	-178	171.5	70	175.4	5.7	110.3	E62 F112 H181 Y183	E62-R205 PolarHBondContact N-O 2.73Å; E62-R205 PolarHBondContact O-N 2.81Å; E62-R205 IonicContact OE1-CZ 2.61Å; E62-R205 IonicContact OE1-NH2 2.95Å; E62-R205 PolarHBondContact OE1-NH2 2.02Å; E62-R205 IonicContact OE2-CZ 3.96Å; E62-R205 IonicContact OE2-NE 2.87Å; E62-R205 IonicContact OE2-NH2 3.35Å; E62-R205 PolarHBondContact OE2-NH2 3.44Å; F112-R205 HydrophobicContact CD1-CB 4.49Å; F112-R205 HydrophobicContact CD2-CB 4.21Å; F112-R205 HydrophobicContact CE1-CB 3.97Å; F112-R205 HydrophobicContact CE2-CB 3.63Å; F112-R205 HydrophobicContact CZ-CB 3.5Å; H181-R205 HydrophobicContact CB-CG 3.92Å; Y183-R205 HydrophobicContact CD1-CB 4.11Å; Y183-R205 HydrophobicContact CD1-CG 4.24Å; Y183-R205 HydrophobicContact CE1-CB 3.97Å; Y183-R205 HydrophobicContact CE1-CG 3.74Å
206	A	70.1	Confident	60.1	Low	35 Å²	35	62.1 Å²	62.1	29%	0.289	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	160.8	166.3	0	0	0	0	0	109.1	H181 A182 S208	H181-A206 CarbonylContact C-O 3.55Å; H181-A206 WeakPolarHBondContact CA-O 3.46Å; H181-A206 WeakPolarHBondContact CB-O 3.34Å; A182-A206 PolarHBondContact N-O 3.47Å; A182-A206 PolarHBondContact O-N 2.9Å; A206-S208 PolarHBondContact O-N 3.13Å
207	A	57.9	Low	58.9	Low	34 Å²	34	65.2 Å²	65.2	28%	0.281	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	131.5	174.7	0	0	0	0	0	110.8	W411	A207-W411 HydrophobicContact CB-CE3 3.91Å; A207-W411 HydrophobicContact CB-CZ3 4.47Å
208	S	48.2	Very low	57.1	Low	13 Å²	13	70 Å²	70	9%	0.091	36%	0.358	C	S	.	.			trans	-107	155.1	168	179.3	0	0	0	0	108.9	V180 H181 A182 A206	V180-S208 CarbonylContact C-O 3.49Å; V180-S208 CarbonylContact O-C 3.3Å; V180-S208 WeakPolarHBondContact O-CA 2.98Å; V180-S208 PolarHBondContact O-N 3.34Å; H181-S208 VanDerWaalsContact CA-N 3.32Å; H181-S208 WeakPolarHBondContact O-CB 3.49Å; A182-S208 VanDerWaalsContact N-CB 3.29Å; A206-S208 PolarHBondContact O-N 3.13Å
209	I	50.9	Low	55.2	Low	38 Å²	38	72.7 Å²	72.7	20%	0.195	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	45.9	-160	-39.2	142.8	0	0	0	111	S410 S412 R426	I209-S410 WeakPolarHBondContact CD1-OG 3.48Å; I209-S412 WeakPolarHBondContact CD1-OG 3.42Å; I209-S412 WeakPolarHBondContact CG1-OG 3.28Å; I209-R426 PolarHBondContact O-NH1 2.87Å
210	L	44.3	Very low	52.9	Low	59 Å²	59	81 Å²	81	31%	0.309	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	5.2	156	-58	142.3	0	0	0	112	N161 G179 N212 R426	N161-L210 HydrophobicContact CB-CD1 3.93Å; N161-L210 HydrophobicContact CB-CD2 4.47Å; N161-L210 WeakPolarHBondContact O-CD1 2.97Å; G179-L210 VanDerWaalsContact CA-CD1 3.49Å; G179-L210 WeakPolarHBondContact O-CA 3.37Å; G179-L210 WeakPolarHBondContact O-CB 3.42Å; G179-L210 PolarHBondContact O-N 2.99Å; L210-N212 VanDerWaalsContact C-N 3.34Å; L210-N212 PolarHBondContact O-N 2.97Å; L210-R426 VanDerWaalsContact CD2-NH2 3.32Å
211	S	35	Very low	50	Low	75 Å²	75	88.2 Å²	88.2	52%	0.524	44%	0.435	S	S	.	.			trans	-84.1	8.5	-177.4	90.9	0	0	0	0	116.7
212	N	30.5	Very low	47	Very low	86 Å²	86	94.1 Å²	94.1	46%	0.46	47%	0.467	S	S	.	.	S	Bend	trans	-103.6	112.8	161.2	-83.1	-21.9	0	0	0	108.3	L210 W214	L210-N212 VanDerWaalsContact C-N 3.34Å; L210-N212 PolarHBondContact O-N 2.97Å; N212-W214 PolarHBondContact O-N 2.96Å
213	H	31.2	Very low	44.1	Very low	197 Å²	197	94.5 Å²	94.5	91%	0.912	48%	0.477	S	S	*	.			trans	-41.4	98.8	166.6	-86.1	-82.9	0	0	0	111.2
214	W	30.2	Very low	41.5	Very low	170 Å²	170	100.3 Å²	100.3	64%	0.644	51%	0.505	S	S	*	.			trans	-105.5	100.3	148.3	-70.5	70	0	0	0	104.3	N212 E216 V219	N212-W214 PolarHBondContact O-N 2.96Å; W214-E216 PolarHBondContact O-N 2.73Å; W214-V219 HydrophobicContact CE3-CG2 4.28Å
215	S	26.5	Very low	39.1	Very low	64 Å²	64	104.6 Å²	104.6	45%	0.448	53%	0.525	S	S	.	.			trans	-49.2	126.9	165.2	43.3	0	0	0	0	108.4	E217 Q218	S215-E217 PolarHBondContact O-N 3.33Å; S215-Q218 PolarHBondContact O-N 2.81Å
216	E	31.3	Very low	36.9	Very low	160 Å²	160	107.8 Å²	107.8	75%	0.748	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-0.8	174.3	-83.6	171.8	137.5	0	0	114.4	W214	W214-E216 PolarHBondContact O-N 2.73Å
217	E	28.9	Very low	35.4	Very low	185 Å²	185	107.9 Å²	107.9	86%	0.864	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-4.3	176.8	-95.5	176.8	158.3	0	0	115.7	S215	S215-E217 PolarHBondContact O-N 3.33Å
218	Q	26.6	Very low	34.5	Very low	141 Å²	141	110.8 Å²	110.8	66%	0.659	55%	0.548	S	S	*	.	S	Bend	trans	-116.3	-1.5	-177.4	-77.6	-170.3	-25.5	0	0	116.3	S215	S215-Q218 PolarHBondContact O-N 2.81Å
219	V	32.2	Very low	34.1	Very low	80 Å²	80	113.2 Å²	113.2	49%	0.485	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.2	-16.3	-178.4	178.9	0	0	0	0	113	W214	W214-V219 HydrophobicContact CE3-CG2 4.28Å
220	Y	34	Very low	33.7	Very low	193 Å²	193	116.8 Å²	116.8	76%	0.757	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-9.9	-174.2	-73.7	-73.3	0	0	0	115.9
221	E	29.4	Very low	33.8	Very low	177 Å²	177	114.4 Å²	114.4	83%	0.827	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.3	-31.8	178.9	-72.7	-173	160.2	0	0	114.5
222	D	28.3	Very low	34.3	Very low	124 Å²	124	115.6 Å²	115.6	66%	0.663	57%	0.57	S	S	*	*	H	α-helix	trans	-99.1	-24	-173.4	-148.6	30.2	0	0	0	113.5
223	G	31.2	Very low	35	Very low	39 Å²	39	117 Å²	117	40%	0.402	57%	0.573	S	S	.	*	H	α-helix	trans	-83	-25.4	-178.7	0	0	0	0	0	114.8	L227	G223-L227 VanDerWaalsContact O-CB 3.29Å; G223-L227 WeakPolarHBondContact O-CB 3.24Å; G223-L227 PolarHBondContact O-N 3.21Å
224	E	35.7	Very low	36	Very low	122 Å²	122	108.1 Å²	108.1	57%	0.57	53%	0.532	S	S	*	.	H	α-helix	trans	-69.7	-44.9	170.6	-88.2	-165.3	145.3	0	0	110.4	D226 L227 F228	E224-D226 PolarHBondContact O-N 3.04Å; E224-L227 PolarHBondContact O-N 2.89Å; E224-F228 HydrophobicContact CB-CD2 3.96Å; E224-F228 HydrophobicContact CB-CE2 4.2Å; E224-F228 HydrophobicContact CG-CD2 4.24Å; E224-F228 HydrophobicContact CG-CE2 4.03Å; E224-F228 WeakPolarHBondContact O-CB 3.34Å; E224-F228 WeakPolarHBondContact O-CD2 3.02Å; E224-F228 PolarHBondContact O-N 3.37Å
225	E	36.2	Very low	37	Very low	148 Å²	148	103.5 Å²	103.5	69%	0.692	53%	0.526	S	S	*	.	H	α-helix	trans	-60.7	-42	-177.1	-98.6	-171.6	160	0	0	113.5	S229	E225-S229 VanDerWaalsContact O-CB 3.29Å; E225-S229 WeakPolarHBondContact O-CB 3.18Å; E225-S229 PolarHBondContact O-N 2.9Å
226	D	36.4	Very low	38.2	Very low	124 Å²	124	102.7 Å²	102.7	66%	0.663	51%	0.513	S	S	*	.	H	α-helix	trans	-73.9	-37.8	-179.8	-120.9	2.2	0	0	0	112.6	E224 S229 E230	E224-D226 PolarHBondContact O-N 3.04Å; D226-S229 VanDerWaalsContact O-CB 3.27Å; D226-S229 WeakPolarHBondContact O-CB 3.48Å; D226-S229 PolarHBondContact O-N 3.35Å; D226-E230 PolarHBondContact O-N 2.81Å
227	L	38.1	Very low	39.1	Very low	37 Å²	37	96.6 Å²	96.6	19%	0.194	49%	0.486	C	S	.	.	H	α-helix	trans	-73.9	-35.6	176.4	-157.1	91.2	0	0	0	111.9	G223 E224 S229 E230 L231	G223-L227 VanDerWaalsContact O-CB 3.29Å; G223-L227 WeakPolarHBondContact O-CB 3.24Å; G223-L227 PolarHBondContact O-N 3.21Å; E224-L227 PolarHBondContact O-N 2.89Å; L227-S229 VanDerWaalsContact C-N 3.27Å; L227-E230 PolarHBondContact O-N 3.36Å; L227-L231 HydrophobicContact CD2-CD1 4.4Å; L227-L231 HydrophobicContact CG-CD1 4.46Å; L227-L231 WeakPolarHBondContact O-CB 3.33Å; L227-L231 WeakPolarHBondContact O-CD1 3.39Å; L227-L231 PolarHBondContact O-N 2.87Å
228	F	38.6	Very low	39.9	Very low	94 Å²	94	92.4 Å²	92.4	41%	0.412	46%	0.462	S	S	.	.	H	α-helix	trans	-68.1	-26.9	169.3	-87.6	-91.8	0	0	0	111.6	E224 N232	E224-F228 HydrophobicContact CB-CD2 3.96Å; E224-F228 HydrophobicContact CB-CE2 4.2Å; E224-F228 HydrophobicContact CG-CD2 4.24Å; E224-F228 HydrophobicContact CG-CE2 4.03Å; E224-F228 WeakPolarHBondContact O-CB 3.34Å; E224-F228 WeakPolarHBondContact O-CD2 3.02Å; E224-F228 PolarHBondContact O-N 3.37Å; F228-N232 WeakPolarHBondContact O-CB 3.31Å; F228-N232 PolarHBondContact O-N 2.92Å; F228-N232 PolarHBondContact O-ND2 3.08Å
229	S	40.3	Very low	40.8	Very low	65 Å²	65	92.8 Å²	92.8	46%	0.455	46%	0.457	S	S	.	.	H	α-helix	trans	-67.3	-46.1	170.9	-169.1	0	0	0	0	111.6	E225 D226 L227 N232 E233	E225-S229 VanDerWaalsContact O-CB 3.29Å; E225-S229 WeakPolarHBondContact O-CB 3.18Å; E225-S229 PolarHBondContact O-N 2.9Å; D226-S229 VanDerWaalsContact O-CB 3.27Å; D226-S229 WeakPolarHBondContact O-CB 3.48Å; D226-S229 PolarHBondContact O-N 3.35Å; L227-S229 VanDerWaalsContact C-N 3.27Å; S229-N232 WeakPolarHBondContact O-CB 2.98Å; S229-N232 PolarHBondContact O-N 2.03Å; S229-N232 VanDerWaalsContact O-N 3.14Å; S229-E233 PolarHBondContact O-N 2.73Å
230	E	43.6	Very low	41.2	Very low	113 Å²	113	100.8 Å²	100.8	53%	0.528	48%	0.479	S	S	.	.	H	α-helix	trans	-65.2	-38	172.5	-72.5	-167.2	154.4	0	0	112.7	D226 L227 N232 E233	D226-E230 PolarHBondContact O-N 2.81Å; L227-E230 PolarHBondContact O-N 3.36Å; E230-N232 VanDerWaalsContact C-N 3.31Å; E230-N232 PolarHBondContact O-N 2.94Å; E230-E233 WeakPolarHBondContact O-CB 3.42Å; E230-E233 PolarHBondContact O-N 2.81Å
231	L	45.2	Very low	41.4	Very low	8 Å²	8	100.8 Å²	100.8	4%	0.042	48%	0.483	C	S	.	.	H	α-helix	trans	-71.3	-21.7	172.1	-82.9	151.5	0	0	0	113.2	L227 L234 L440	L227-L231 HydrophobicContact CD2-CD1 4.4Å; L227-L231 HydrophobicContact CG-CD1 4.46Å; L227-L231 WeakPolarHBondContact O-CB 3.33Å; L227-L231 WeakPolarHBondContact O-CD1 3.39Å; L227-L231 PolarHBondContact O-N 2.87Å; L231-L234 HydrophobicContact CD2-CD1 4.23Å; L231-L234 CarbonylContact O-C 3.5Å; L231-L234 WeakPolarHBondContact O-CB 3.4Å; L231-L234 PolarHBondContact O-N 3.29Å; L231-L440 HydrophobicContact CD2-CD1 3.7Å
232	N	45.7	Very low	41.5	Very low	101 Å²	101	102.3 Å²	102.3	54%	0.54	49%	0.487	S	S	.	.	H	α-helix	trans	-73.9	-30.6	172.7	-89.1	-27.5	0	0	0	111.8	F228 S229 E230 L234 S235	F228-N232 WeakPolarHBondContact O-CB 3.31Å; F228-N232 PolarHBondContact O-N 2.92Å; F228-N232 PolarHBondContact O-ND2 3.08Å; S229-N232 WeakPolarHBondContact O-CB 2.98Å; S229-N232 PolarHBondContact O-N 2.03Å; S229-N232 VanDerWaalsContact O-N 3.14Å; E230-N232 VanDerWaalsContact C-N 3.31Å; E230-N232 PolarHBondContact O-N 2.94Å; N232-L234 PolarHBondContact O-N 3.08Å; N232-S235 WeakPolarHBondContact O-CB 3.26Å; N232-S235 PolarHBondContact O-N 2.92Å; N232-S235 PolarHBondContact O-OG 3.45Å
233	E	45.9	Very low	41.7	Very low	115 Å²	115	107 Å²	107	54%	0.537	50%	0.495	S	S	.	.	H	α-helix	trans	-63.1	-22.5	167.6	-76.1	-75.5	158.7	0	0	112	S229 E230 S235 S571	S229-E233 PolarHBondContact O-N 2.73Å; E230-E233 WeakPolarHBondContact O-CB 3.42Å; E230-E233 PolarHBondContact O-N 2.81Å; E233-S235 VanDerWaalsContact C-N 3.31Å; E233-S571 WeakPolarHBondContact OE2-CB 3.32Å; E233-S571 PolarHBondContact OE2-OG 3.24Å
234	L	52.2	Low	41.9	Very low	10 Å²	10	110.1 Å²	110.1	5%	0.052	52%	0.517	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	14.9	172	-63.5	171.6	0	0	0	113.4	L231 N232 W236 L237 E437	L231-L234 HydrophobicContact CD2-CD1 4.23Å; L231-L234 CarbonylContact O-C 3.5Å; L231-L234 WeakPolarHBondContact O-CB 3.4Å; L231-L234 PolarHBondContact O-N 3.29Å; N232-L234 PolarHBondContact O-N 3.08Å; L234-W236 HydrophobicContact CD2-CZ2 4.22Å; L234-W236 PolarHBondContact O-N 2.71Å; L234-L237 HydrophobicContact CB-CD1 4.25Å; L234-L237 HydrophobicContact CD2-CD1 3.98Å; L234-L237 WeakPolarHBondContact O-CB 3.44Å; L234-L237 PolarHBondContact O-N 3.44Å; L234-E437 HydrophobicContact CD1-CB 4.38Å; L234-E437 HydrophobicContact CD1-CG 4.06Å; L234-E437 HydrophobicContact CD2-CG 4.49Å
235	S	51.4	Low	42.1	Very low	73 Å²	73	109.9 Å²	109.9	51%	0.51	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-20.4	177.5	54.1	0	0	0	0	114.1	N232 E233 L237 R238	N232-S235 WeakPolarHBondContact O-CB 3.26Å; N232-S235 PolarHBondContact O-N 2.92Å; N232-S235 PolarHBondContact O-OG 3.45Å; E233-S235 VanDerWaalsContact C-N 3.31Å; S235-L237 VanDerWaalsContact C-N 3.29Å; S235-L237 PolarHBondContact O-N 2.83Å; S235-R238 PolarHBondContact O-N 3.2Å
236	W	51.5	Low	42.2	Very low	48 Å²	48	106.2 Å²	106.2	18%	0.182	51%	0.507	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-22.6	172.7	64.1	-90.2	0	0	0	113.8	L234 N563 K566	L234-W236 HydrophobicContact CD2-CZ2 4.22Å; L234-W236 PolarHBondContact O-N 2.71Å; W236-N563 HydrophobicContact CE3-CB 4.26Å; W236-N563 HydrophobicContact CH2-CB 4.24Å; W236-N563 HydrophobicContact CZ3-CB 3.53Å; W236-N563 VanDerWaalsContact CZ3-CG 3.46Å; W236-K566 HydrophobicContact CB-CD 4.49Å; W236-K566 HydrophobicContact CD2-CB 4.46Å; W236-K566 HydrophobicContact CD2-CD 4.12Å; W236-K566 HydrophobicContact CE3-CD 4.46Å; W236-K566 HydrophobicContact CG-CD 4.13Å; W236-K566 HydrophobicContact CH2-CB 4.47Å; W236-K566 HydrophobicContact CZ2-CB 4.12Å
237	L	50.2	Low	42.9	Very low	31 Å²	31	107.2 Å²	107.2	16%	0.162	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-25.5	170.6	-71.1	171	0	0	0	112	L234 S235 E437 K441	L234-L237 HydrophobicContact CB-CD1 4.25Å; L234-L237 HydrophobicContact CD2-CD1 3.98Å; L234-L237 WeakPolarHBondContact O-CB 3.44Å; L234-L237 PolarHBondContact O-N 3.44Å; S235-L237 VanDerWaalsContact C-N 3.29Å; S235-L237 PolarHBondContact O-N 2.83Å; L237-E437 HydrophobicContact CD1-CG 4.17Å; L237-K441 HydrophobicContact CD1-CG 4.24Å; L237-K441 HydrophobicContact CD2-CG 3.95Å
238	R	46	Very low	43.8	Very low	97 Å²	97	106.7 Å²	106.7	37%	0.366	50%	0.5	S	S	.	.			trans	-100.5	123.6	-176.1	-73.2	-178.3	174.2	178.9	-1.2	112.3	S235	S235-R238 PolarHBondContact O-N 3.2Å
239	R	45.3	Very low	44.9	Very low	149 Å²	149	103 Å²	103	56%	0.562	49%	0.487	S	S	*	.			trans	-79.9	136.6	160.5	-102.3	-175.4	-173.6	150.2	6.5	111.1	K241 D520	R239-K241 PolarHBondContact O-N 3.47Å; R239-D520 IonicContact CZ-OD1 3.14Å; R239-D520 IonicContact CZ-OD2 3.75Å; R239-D520 VanDerWaalsContact CZ-OD2 3.26Å; R239-D520 IonicContact NH1-OD1 3.75Å; R239-D520 PolarHBondContact NH1-OD1 3.06Å; R239-D520 IonicContact NH1-OD2 3.64Å; R239-D520 PolarHBondContact NH1-OD2 3.42Å; R239-D520 IonicContact NH2-OD2 3.66Å; R239-D520 PolarHBondContact NH2-OD2 3.17Å
240	R	41	Very low	46.3	Very low	249 Å²	249	101.6 Å²	101.6	94%	0.94	47%	0.473	S	S	*	.			trans	-54.1	99.8	171	-79.4	179.8	176.2	171.7	-0.8	111.5
241	K	36.8	Very low	47.6	Very low	193 Å²	193	101.7 Å²	101.7	84%	0.839	47%	0.473	S	S	*	.			trans	-129.3	89.4	143.4	-88.1	-174.5	179	174.2	0	108.7	R239 R243	R239-K241 PolarHBondContact O-N 3.47Å; K241-R243 PolarHBondContact O-N 3.48Å
242	K	32.4	Very low	49.1	Very low	209 Å²	209	104 Å²	104	91%	0.909	48%	0.484	S	S	*	.			trans	-66.1	80.6	159.6	-79.6	-173.3	173.5	-173.1	0	108.4
243	R	32.5	Very low	50.9	Low	221 Å²	221	101.7 Å²	101.7	83%	0.834	47%	0.471	S	S	*	.	S	Bend	trans	-125.3	134.8	150.9	-86.5	-176.1	174.8	173	-2.4	105.4	K241 M245	K241-R243 PolarHBondContact O-N 3.48Å; R243-M245 PolarHBondContact O-N 2.92Å
244	A	35.8	Very low	53	Low	105 Å²	105	96.3 Å²	96.3	87%	0.868	45%	0.445	S	S	*	.			trans	-44.8	108.7	178.9	0	0	0	0	0	108.8	P246	A244-P246 WeakPolarHBondContact O-CD 3.35Å
245	M	38.3	Very low	54.8	Low	117 Å²	117	96.8 Å²	96.8	58%	0.576	45%	0.446	S	S	*	.			trans	-72.6	122	-179.9	-77.7	-154.7	-62.5	0	0	107	R243 R247	R243-M245 PolarHBondContact O-N 2.92Å; M245-R247 VanDerWaalsContact C-N 3.28Å; M245-R247 PolarHBondContact O-N 3.49Å
246	P	38.7	Very low	56.9	Low	72 Å²	72	93.3 Å²	93.3	47%	0.468	42%	0.422	S	S	.	.	S	Bend	trans	-64.9	-29.9	-179.8	-20.6	32.4	0	0	0	113.2	A244 Y516	A244-P246 WeakPolarHBondContact O-CD 3.35Å; P246-Y516 VanDerWaalsContact CD-CE2 3.41Å; P246-Y516 HydrophobicContact CG-CE2 3.99Å
247	R	51.6	Low	58.9	Low	145 Å²	145	92 Å²	92	55%	0.547	42%	0.418	S	S	.	.			trans	-158.4	136.4	172.6	-66	-168.2	171.4	120.7	-4.4	110.6	M245	M245-R247 VanDerWaalsContact C-N 3.28Å; M245-R247 PolarHBondContact O-N 3.49Å
248	S	57	Low	61.2	Low	25 Å²	25	90.6 Å²	90.6	18%	0.175	41%	0.411	C	S	.	.			trans	-86	154.5	173.3	69.1	0	0	0	0	111.4	F250 E251	S248-F250 PolarHBondContact O-N 2.91Å; S248-E251 WeakPolarHBondContact CB-OE1 3.09Å; S248-E251 PolarHBondContact N-OE1 2.84Å; S248-E251 VanDerWaalsContact N-OE1 3.09Å; S248-E251 PolarHBondContact O-N 2.91Å; S248-E251 PolarHBondContact OG-OE1 2.91Å
249	A	61.5	Low	63.6	Low	16 Å²	16	86 Å²	86	13%	0.132	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-11.3	173.6	0	0	0	0	0	113.5	K254 F448 V518	A249-K254 WeakPolarHBondContact O-CE 3.01Å; A249-K254 PolarHBondContact O-NZ 3.06Å; A249-F448 HydrophobicContact CB-CE1 4.47Å; A249-F448 HydrophobicContact CB-CZ 4.35Å; A249-V518 HydrophobicContact CB-CG1 4.24Å
250	F	69.3	Low	66.1	Low	37 Å²	37	78.9 Å²	78.9	16%	0.162	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-26.3	178.6	-52.9	-60	0	0	0	114	S248 K254 R436 L439 L440	S248-F250 PolarHBondContact O-N 2.91Å; F250-K254 PolarHBondContact O-NZ 2.04Å; F250-R436 HydrophobicContact CD1-CB 4.22Å; F250-R436 HydrophobicContact CD1-CG 3.71Å; F250-R436 HydrophobicContact CE1-CB 3.5Å; F250-R436 HydrophobicContact CE1-CG 3.52Å; F250-R436 HydrophobicContact CG-CG 4.46Å; F250-R436 HydrophobicContact CZ-CB 3.8Å; F250-R436 HydrophobicContact CZ-CG 4.08Å; F250-L439 HydrophobicContact CD1-CD1 4.03Å; F250-L439 HydrophobicContact CE1-CB 4.15Å; F250-L439 HydrophobicContact CE1-CD1 4.11Å; F250-L440 HydrophobicContact CE1-CG 4.42Å; F250-L440 HydrophobicContact CE2-CD1 4.37Å; F250-L440 HydrophobicContact CE2-CD2 4.07Å; F250-L440 HydrophobicContact CE2-CG 4.28Å; F250-L440 HydrophobicContact CZ-CD1 3.76Å; F250-L440 HydrophobicContact CZ-CD2 3.79Å; F250-L440 HydrophobicContact CZ-CG 3.54Å
251	E	71.9	Confident	68.8	Low	114 Å²	114	67 Å²	67	53%	0.533	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-23.6	-178.7	-71.2	154.6	-123.8	0	0	112.9	S248	S248-E251 WeakPolarHBondContact CB-OE1 3.09Å; S248-E251 PolarHBondContact N-OE1 2.84Å; S248-E251 VanDerWaalsContact N-OE1 3.09Å; S248-E251 PolarHBondContact O-N 2.91Å; S248-E251 PolarHBondContact OG-OE1 2.91Å
252	E	77.3	Confident	71.7	Confident	57 Å²	57	57.9 Å²	57.9	27%	0.266	28%	0.282	S	S	.	.	S	Bend	trans	-73.5	141.3	177.3	-172.8	165.1	-156.3	0	0	111	K254 F448	E252-K254 VanDerWaalsContact O-CD 3.32Å; E252-K254 WeakPolarHBondContact O-CD 3.32Å; E252-K254 VanDerWaalsContact O-CE 3.23Å; E252-K254 WeakPolarHBondContact O-CE 3.35Å; E252-K254 PolarHBondContact O-NZ 3.16Å; E252-F448 HydrophobicContact CG-CD1 4.43Å; E252-F448 WeakPolarHBondContact OE2-CD1 3.28Å
253	M	83.5	Confident	74.7	Confident	53 Å²	53	48 Å²	48	26%	0.261	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-73.6	130	174.2	-161.8	69.2	-173.8	0	0	109.8	K292 H296 R298	M253-K292 HydrophobicContact CE-CB 4.3Å; M253-K292 HydrophobicContact CE-CG 3.92Å; M253-H296 VanDerWaalsContact CE-C 3.45Å; M253-H296 HydrophobicContact SD-CB 4.08Å; M253-H296 VanDerWaalsContact SD-O 3.33Å; M253-R298 HydrophobicContact CE-CG 3.46Å; M253-R298 VanDerWaalsContact CE-CG 3.46Å; M253-R298 HydrophobicContact CG-CG 4.21Å
254	K	89.6	Confident	77.8	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.009	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	155.7	177.3	-64.9	88.3	-175.1	164.2	0	110.4	A249 F250 E252 H296 T297 R298 Y435 L447 F448	A249-K254 WeakPolarHBondContact O-CE 3.01Å; A249-K254 PolarHBondContact O-NZ 3.06Å; F250-K254 PolarHBondContact O-NZ 2.04Å; E252-K254 VanDerWaalsContact O-CD 3.32Å; E252-K254 WeakPolarHBondContact O-CD 3.32Å; E252-K254 VanDerWaalsContact O-CE 3.23Å; E252-K254 WeakPolarHBondContact O-CE 3.35Å; E252-K254 PolarHBondContact O-NZ 3.16Å; K254-H296 WeakPolarHBondContact CD-O 3.15Å; K254-H296 PolarHBondContact N-O 3.35Å; K254-T297 HydrophobicContact CB-CG2 4.02Å; K254-T297 CarbonylContact O-C 3.52Å; K254-T297 WeakPolarHBondContact O-CA 3.34Å; K254-R298 PolarHBondContact O-N 2.81Å; K254-Y435 WeakPolarHBondContact CD-OH 3.26Å; K254-L447 CarbonylContact C-O 3.57Å; K254-L447 VanDerWaalsContact CA-O 3.3Å; K254-L447 WeakPolarHBondContact CA-O 3.06Å; K254-L447 HydrophobicContact CB-CB 4.07Å; K254-L447 HydrophobicContact CG-CB 4.29Å; K254-F448 HydrophobicContact CG-CE1 4.42Å; K254-F448 HydrophobicContact CG-CZ 4.45Å
255	Y	90.3	Very high	80.5	Confident	19 Å²	19	35.1 Å²	35.1	8%	0.075	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	124.3	177.3	-59.6	-85.1	0	0	0	108.4	R298 V300 L447 R450 P451 Y464	Y255-R298 HydrophobicContact CD1-CB 3.89Å; Y255-R298 HydrophobicContact CD1-CG 4.21Å; Y255-R298 HydrophobicContact CE1-CB 4.21Å; Y255-R298 HydrophobicContact CE1-CG 4.02Å; Y255-V300 HydrophobicContact CD1-CG2 4.35Å; Y255-L447 PolarHBondContact N-O 3.48Å; Y255-L447 VanDerWaalsContact O-CA 3.24Å; Y255-L447 WeakPolarHBondContact O-CA 3.36Å; Y255-L447 WeakPolarHBondContact O-CD2 3.31Å; Y255-R450 HydrophobicContact CD2-CB 4.07Å; Y255-R450 HydrophobicContact CD2-CG 4.41Å; Y255-R450 HydrophobicContact CE1-CG 4.3Å; Y255-R450 HydrophobicContact CE2-CB 3.62Å; Y255-R450 HydrophobicContact CE2-CG 3.69Å; Y255-R450 PolarHBondContact OH-NE 3.35Å; Y255-P451 HydrophobicContact CD1-CG 4.27Å; Y255-P451 VanDerWaalsContact CG-CD 3.49Å; Y255-P451 HydrophobicContact CG-CG 4.42Å; Y255-Y464 VanDerWaalsContact CE1-OH 3.26Å; Y255-Y464 WeakPolarHBondContact CE1-OH 3.3Å
256	L	94.9	Very high	83.1	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	98	-177.7	175.2	59.3	0	0	0	108.2	I258 F291 T297 R298 V299 V300 D339 M362 L388 L447	L256-I258 HydrophobicContact CD1-CG2 4.2Å; L256-I258 HydrophobicContact CD2-CG2 4.26Å; L256-I258 HydrophobicContact CG-CG2 3.73Å; L256-I258 PolarHBondContact O-N 2.8Å; L256-F291 HydrophobicContact CD2-CD1 4.4Å; L256-F291 HydrophobicContact CD2-CE1 4.24Å; L256-T297 HydrophobicContact CB-CG2 3.96Å; L256-R298 WeakPolarHBondContact CB-O 3.05Å; L256-R298 PolarHBondContact N-O 3.26Å; L256-V299 HydrophobicContact CD2-CG2 4.18Å; L256-V300 PolarHBondContact O-N 3.24Å; L256-D339 HydrophobicContact CD1-CB 4.05Å; L256-M362 HydrophobicContact CD1-CE 3.33Å; L256-M362 HydrophobicContact CD1-CG 4.34Å; L256-M362 HydrophobicContact CD1-SD 3.26Å; L256-M362 WeakPolarHBondContact CD1-SD 3.37Å; L256-M362 HydrophobicContact CD2-CE 4.14Å; L256-M362 HydrophobicContact CG-CE 4.39Å; L256-L388 HydrophobicContact CD2-CB 4.46Å; L256-L388 HydrophobicContact CD2-CD1 4.24Å; L256-L388 HydrophobicContact CD2-CD2 4.23Å; L256-L447 HydrophobicContact CB-CD2 4.2Å; L256-L447 HydrophobicContact CD1-CD2 3.61Å
257	E	94	Very high	85.7	Confident	22 Å²	22	28.8 Å²	28.8	10%	0.103	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	107.8	-179.7	-64.4	-173.4	148.8	0	0	110.4	V300 V302 H337 A338 D339 S340	E257-V300 CarbonylContact C-O 3.21Å; E257-V300 WeakPolarHBondContact CA-O 3.49Å; E257-V302 HydrophobicContact CB-CG1 3.74Å; E257-V302 HydrophobicContact CG-CG1 4.05Å; E257-H337 IonicContact OE2-CE1 2.78Å; E257-H337 IonicContact OE2-ND1 3.42Å; E257-H337 PolarHBondContact OE2-ND1 3.15Å; E257-H337 VanDerWaalsContact OE2-ND1 3.1Å; E257-A338 CarbonylContact O-C 3.56Å; E257-D339 WeakPolarHBondContact CB-OD2 3.27Å; E257-D339 PolarHBondContact N-OD2 3.1Å; E257-D339 WeakPolarHBondContact O-CB 3Å; E257-D339 PolarHBondContact O-N 2.85Å; E257-S340 PolarHBondContact O-N 3.4Å
258	I	96.9	Very high	87.6	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	148.6	-177.2	70.4	168.2	0	0	0	113.2	L256 I260 V284 V299 V300 L301 V302 S340 L388	L256-I258 HydrophobicContact CD1-CG2 4.2Å; L256-I258 HydrophobicContact CD2-CG2 4.26Å; L256-I258 HydrophobicContact CG-CG2 3.73Å; L256-I258 PolarHBondContact O-N 2.8Å; I258-I260 HydrophobicContact CD1-CD1 3.9Å; I258-I260 HydrophobicContact CD1-CG1 4.33Å; I258-V284 HydrophobicContact CD1-CG1 3.95Å; I258-V284 HydrophobicContact CD1-CG2 4.01Å; I258-V299 HydrophobicContact CD1-CG1 3.49Å; I258-V299 VanDerWaalsContact CD1-CG1 3.49Å; I258-V299 HydrophobicContact CG1-CG1 3.85Å; I258-V299 HydrophobicContact CG2-CG1 4.2Å; I258-V300 PolarHBondContact N-O 2.84Å; I258-L301 HydrophobicContact CG1-CD1 4.13Å; I258-V302 VanDerWaalsContact O-CG2 3.26Å; I258-V302 WeakPolarHBondContact O-CG2 3.37Å; I258-V302 PolarHBondContact O-N 3.35Å; I258-S340 VanDerWaalsContact CA-O 3.29Å; I258-S340 WeakPolarHBondContact CA-O 3.15Å; I258-L388 HydrophobicContact CD1-CD1 4.41Å; I258-L388 HydrophobicContact CG2-CD2 3.96Å
259	M	97.3	Very high	89.2	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133	165.4	174.4	176.9	177.3	0	0	109.9	I134 V261 V302 A303 E305 I334 A338 S340 V341 Q342	I134-M259 HydrophobicContact CD1-CE 4.36Å; M259-V261 HydrophobicContact CE-CG2 4.12Å; M259-V302 HydrophobicContact CB-CG2 4.41Å; M259-A303 WeakPolarHBondContact CA-O 3.41Å; M259-A303 HydrophobicContact CB-CB 4.36Å; M259-A303 HydrophobicContact CE-CB 4.48Å; M259-A303 HydrophobicContact CG-CB 3.85Å; M259-A303 HydrophobicContact SD-CB 4.13Å; M259-E305 HydrophobicContact CE-CB 3.65Å; M259-E305 WeakPolarHBondContact CE-OE2 3.5Å; M259-I334 HydrophobicContact CE-CD1 4.1Å; M259-I334 HydrophobicContact CE-CG1 4.45Å; M259-I334 HydrophobicContact CE-CG2 4.19Å; M259-I334 HydrophobicContact SD-CD1 4.12Å; M259-I334 HydrophobicContact SD-CG2 3.63Å; M259-A338 HydrophobicContact CB-CB 4.09Å; M259-S340 PolarHBondContact N-O 3.14Å; M259-V341 HydrophobicContact CB-CG1 4.12Å; M259-V341 HydrophobicContact CB-CG2 4.06Å; M259-V341 HydrophobicContact CG-CG1 4.13Å; M259-V341 CarbonylContact O-C 3.57Å; M259-V341 WeakPolarHBondContact O-CA 3.37Å; M259-V341 HydrophobicContact SD-CG1 4.43Å; M259-Q342 PolarHBondContact O-N 3.22Å
260	I	98	Very high	90.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132.8	174.7	-62.2	-57.5	0	0	0	109.6	I258 A280 V284 L301 A303 L304 E305 Q342 L344 L384	I258-I260 HydrophobicContact CD1-CD1 3.9Å; I258-I260 HydrophobicContact CD1-CG1 4.33Å; I260-A280 HydrophobicContact CG2-CB 4.16Å; I260-V284 HydrophobicContact CD1-CG2 4.18Å; I260-V284 HydrophobicContact CG1-CG2 3.87Å; I260-L301 HydrophobicContact CB-CD1 4.22Å; I260-L301 HydrophobicContact CG1-CD1 3.65Å; I260-A303 PolarHBondContact N-O 2.78Å; I260-L304 HydrophobicContact CB-CD1 3.95Å; I260-L304 HydrophobicContact CG2-CD1 3.99Å; I260-L304 CarbonylContact O-C 3.54Å; I260-L304 WeakPolarHBondContact O-CA 3.27Å; I260-E305 PolarHBondContact O-N 3.14Å; I260-Q342 WeakPolarHBondContact CA-O 3.35Å; I260-Q342 HydrophobicContact CD1-CB 3.77Å; I260-Q342 HydrophobicContact CD1-CG 4.46Å; I260-L344 HydrophobicContact CG2-CD1 3.62Å; I260-L344 HydrophobicContact CG2-CG 3.85Å; I260-L384 HydrophobicContact CD1-CD1 4.27Å; I260-L384 HydrophobicContact CD1-CD2 4.28Å
261	V	98	Very high	91.1	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.2	170.7	-175.5	0	0	0	0	108.5	M259 E305 W307 F326 I334 V341 Q342 L343 L344	M259-V261 HydrophobicContact CE-CG2 4.12Å; V261-E305 CarbonylContact C-O 3.55Å; V261-E305 WeakPolarHBondContact CA-O 3.38Å; V261-E305 HydrophobicContact CG1-CB 4.45Å; V261-E305 HydrophobicContact CG2-CB 4.28Å; V261-W307 HydrophobicContact CG1-CD2 4.23Å; V261-W307 HydrophobicContact CG1-CH2 4.39Å; V261-W307 HydrophobicContact CG1-CZ2 3.64Å; V261-F326 HydrophobicContact CB-CE2 4.13Å; V261-F326 HydrophobicContact CB-CZ 3.99Å; V261-F326 HydrophobicContact CG1-CE2 4.32Å; V261-F326 HydrophobicContact CG2-CE2 4.06Å; V261-F326 HydrophobicContact CG2-CZ 3.8Å; V261-I334 HydrophobicContact CG2-CD1 4.44Å; V261-V341 HydrophobicContact CG2-CG1 3.88Å; V261-Q342 PolarHBondContact N-O 2.96Å; V261-L343 HydrophobicContact CB-CD1 4.03Å; V261-L343 HydrophobicContact CG1-CD1 3.87Å; V261-L343 CarbonylContact O-C 3.6Å; V261-L343 WeakPolarHBondContact O-CA 3.44Å; V261-L344 PolarHBondContact O-N 3.06Å
262	S	97.4	Very high	91.9	Very high	1 Å²	1	38 Å²	38	1%	0.007	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.4	173.2	-65.5	0	0	0	0	109.9	E305 W307	S262-E305 PolarHBondContact N-O 2.93Å; S262-W307 PolarHBondContact O-N 2.94Å
263	D	96.1	Very high	92.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	17%	0.171	C	C	.	.			trans	-67.3	171.5	179.1	82.6	-12.4	0	0	0	112.4	S265 M266 Y267 W307 I315 L343 L344 S345	D263-S265 PolarHBondContact O-N 3.33Å; D263-S265 PolarHBondContact OD1-N 3.22Å; D263-S265 PolarHBondContact OD1-OG 3.48Å; D263-S265 PolarHBondContact OD2-OG 3.05Å; D263-M266 WeakPolarHBondContact O-CB 3.34Å; D263-M266 PolarHBondContact O-N 3.01Å; D263-M266 VanDerWaalsContact OD1-CB 3.22Å; D263-M266 WeakPolarHBondContact OD1-CB 3.03Å; D263-M266 WeakPolarHBondContact OD1-CG 3.37Å; D263-M266 PolarHBondContact OD1-N 2.57Å; D263-Y267 PolarHBondContact O-N 3Å; D263-Y267 VanDerWaalsContact O-N 3.14Å; D263-W307 HydrophobicContact CB-CE3 3.97Å; D263-W307 HydrophobicContact CB-CZ3 4.28Å; D263-I315 HydrophobicContact CB-CD1 4.25Å; D263-I315 HydrophobicContact CB-CG1 4.45Å; D263-L343 HydrophobicContact CB-CD1 4.32Å; D263-L344 PolarHBondContact N-O 3.08Å; D263-L344 VanDerWaalsContact N-O 3.1Å; D263-S345 WeakPolarHBondContact OD2-CA 3.45Å; D263-S345 WeakPolarHBondContact OD2-CB 2.95Å; D263-S345 PolarHBondContact OD2-OG 2.89Å
264	H	95.6	Very high	92.7	Very high	26 Å²	26	38.6 Å²	38.6	12%	0.12	17%	0.172	C	C	.	.	H	α-helix	trans	-66.6	-30.4	-177.6	-174.5	64.4	0	0	0	112.1	Y267 K268 W307 T308 D309 D311	H264-Y267 PolarHBondContact O-N 3.09Å; H264-K268 PolarHBondContact CD2-NZ 3.18Å; H264-K268 VanDerWaalsContact CD2-NZ 3.35Å; H264-K268 WeakPolarHBondContact NE2-CE 3.01Å; H264-K268 PolarHBondContact NE2-NZ 2.83Å; H264-K268 WeakPolarHBondContact O-CG 3.47Å; H264-K268 PolarHBondContact O-N 2.01Å; H264-W307 WeakPolarHBondContact CA-O 3.45Å; H264-W307 HydrophobicContact CB-CB 4.44Å; H264-W307 VanDerWaalsContact CB-O 3.27Å; H264-W307 WeakPolarHBondContact CB-O 3.5Å; H264-W307 PolarHBondContact ND1-O 3.3Å; H264-T308 PolarHBondContact CE1-O 3.18Å; H264-T308 PolarHBondContact ND1-O 2.04Å; H264-T308 VanDerWaalsContact ND1-O 3.07Å; H264-D309 PolarHBondContact CE1-O 3.08Å; H264-D309 VanDerWaalsContact CE1-O 3.31Å; H264-D311 WeakPolarHBondContact CB-OD1 3.31Å; H264-D311 PolarHBondContact N-OD1 2.65Å
265	S	93.3	Very high	92.7	Very high	30 Å²	30	40.8 Å²	40.8	21%	0.21	18%	0.182	C	C	.	.	H	α-helix	trans	-69.3	-38.2	177.8	79.5	0	0	0	0	112.1	D263 K268 R269 N346	D263-S265 PolarHBondContact O-N 3.33Å; D263-S265 PolarHBondContact OD1-N 3.22Å; D263-S265 PolarHBondContact OD1-OG 3.48Å; D263-S265 PolarHBondContact OD2-OG 3.05Å; S265-K268 PolarHBondContact O-N 3.22Å; S265-R269 PolarHBondContact O-N 2.78Å; S265-N346 WeakPolarHBondContact OG-CB 3.32Å; S265-N346 PolarHBondContact OG-N 2.84Å
266	M	92.4	Very high	92.7	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-43.5	171.4	-81.5	-62.4	-70.6	0	0	112.3	D263 R269 H270 F279 L344 N346 Y374	D263-M266 WeakPolarHBondContact O-CB 3.34Å; D263-M266 PolarHBondContact O-N 3.01Å; D263-M266 VanDerWaalsContact OD1-CB 3.22Å; D263-M266 WeakPolarHBondContact OD1-CB 3.03Å; D263-M266 WeakPolarHBondContact OD1-CG 3.37Å; D263-M266 PolarHBondContact OD1-N 2.57Å; M266-R269 PolarHBondContact O-N 2.71Å; M266-H270 PolarHBondContact O-N 3.43Å; M266-H270 PolarHBondContact O-ND1 3.38Å; M266-F279 HydrophobicContact CE-CD1 4.09Å; M266-F279 HydrophobicContact CE-CE1 3.86Å; M266-L344 HydrophobicContact CE-CB 4.41Å; M266-L344 WeakPolarHBondContact CG-O 3.43Å; M266-N346 HydrophobicContact CG-CB 4.06Å; M266-N346 HydrophobicContact SD-CB 3.72Å; M266-Y374 HydrophobicContact CE-CD2 3.57Å; M266-Y374 HydrophobicContact CE-CE2 4.03Å; M266-Y374 HydrophobicContact SD-CD2 3.31Å; M266-Y374 WeakPolarHBondContact SD-CD2 3.12Å; M266-Y374 HydrophobicContact SD-CE2 4.1Å; M266-Y374 HydrophobicContact SD-CG 3.82Å
267	Y	93.5	Very high	92.6	Very high	57 Å²	57	41 Å²	41	22%	0.224	18%	0.183	C	C	.	.	H	α-helix	trans	-59.4	-49.5	174.1	169.1	-115.2	0	0	0	111.7	D263 H264 R269 H270 K271 K273 I306 T308	D263-Y267 PolarHBondContact O-N 3Å; D263-Y267 VanDerWaalsContact O-N 3.14Å; H264-Y267 PolarHBondContact O-N 3.09Å; Y267-R269 VanDerWaalsContact C-N 3.26Å; Y267-R269 PolarHBondContact O-N 2.86Å; Y267-H270 PolarHBondContact O-N 2.88Å; Y267-K271 PolarHBondContact O-N 3.3Å; Y267-K273 HydrophobicContact CD2-CG 4.43Å; Y267-K273 HydrophobicContact CE2-CB 4.49Å; Y267-K273 HydrophobicContact CE2-CG 3.66Å; Y267-I306 HydrophobicContact CD2-CG2 4.1Å; Y267-I306 HydrophobicContact CG-CG2 4.2Å; Y267-T308 HydrophobicContact CD1-CG2 4.39Å; Y267-T308 HydrophobicContact CD2-CG2 4.06Å; Y267-T308 HydrophobicContact CE1-CG2 4.3Å; Y267-T308 HydrophobicContact CE2-CG2 3.98Å; Y267-T308 HydrophobicContact CG-CG2 4.26Å
268	K	92.3	Very high	92.5	Very high	134 Å²	134	40.8 Å²	40.8	58%	0.583	18%	0.183	S	C	*	.	H	α-helix	trans	-58	-37.7	177.5	-79.8	176.2	165.8	159.1	0	112.8	H264 S265 K271	H264-K268 PolarHBondContact CD2-NZ 3.18Å; H264-K268 VanDerWaalsContact CD2-NZ 3.35Å; H264-K268 WeakPolarHBondContact NE2-CE 3.01Å; H264-K268 PolarHBondContact NE2-NZ 2.83Å; H264-K268 WeakPolarHBondContact O-CG 3.47Å; H264-K268 PolarHBondContact O-N 2.01Å; S265-K268 PolarHBondContact O-N 3.22Å; K268-K271 PolarHBondContact O-N 2.9Å
269	R	89.1	Confident	92.2	Very high	136 Å²	136	41.7 Å²	41.7	51%	0.513	19%	0.187	S	C	.	.	H	α-helix	trans	-65.2	-43.2	179.6	-178.3	158.1	-179.6	109.3	-2.6	112.9	S265 M266 Y267 K271 N346 Y374	S265-R269 PolarHBondContact O-N 2.78Å; M266-R269 PolarHBondContact O-N 2.71Å; Y267-R269 VanDerWaalsContact C-N 3.26Å; Y267-R269 PolarHBondContact O-N 2.86Å; R269-K271 VanDerWaalsContact C-N 3.28Å; R269-N346 WeakPolarHBondContact CD-OD1 3.3Å; R269-Y374 VanDerWaalsContact CZ-CE1 3.49Å; R269-Y374 PolarHBondContact NE-OH 3.47Å; R269-Y374 VanDerWaalsContact NE-OH 3.1Å
270	H	87	Confident	92.1	Very high	23 Å²	23	41.7 Å²	41.7	11%	0.106	19%	0.187	C	C	.	.	H	α-helix	trans	-81.6	-9.5	179.6	-66.7	86.8	0	0	0	113.3	M266 Y267 N272 H275 T276 F279 Y374	M266-H270 PolarHBondContact O-N 3.43Å; M266-H270 PolarHBondContact O-ND1 3.38Å; Y267-H270 PolarHBondContact O-N 2.88Å; H270-N272 PolarHBondContact O-N 3.01Å; H270-H275 HydrophobicContact CB-CB 4.04Å; H270-H275 PolarHBondContact O-ND1 2.87Å; H270-T276 WeakPolarHBondContact CB-OG1 3.22Å; H270-F279 AromaticContact CE1-CD1 3.91Å; H270-F279 AromaticContact NE2-CD1 3.78Å; H270-F279 AromaticContact NE2-CD2 3.81Å; H270-F279 AromaticContact NE2-CG 3.48Å; H270-F279 WeakPolarHBondContact NE2-CG 3.22Å; H270-Y374 AromaticContact CE1-CE2 3.93Å
271	K	84.6	Confident	91.9	Very high	166 Å²	166	41.7 Å²	41.7	72%	0.722	19%	0.187	S	C	*	.			trans	64.8	-25.1	177.6	-53.6	178	-178.8	177.3	0	115.5	Y267 K268 R269	Y267-K271 PolarHBondContact O-N 3.3Å; K268-K271 PolarHBondContact O-N 2.9Å; R269-K271 VanDerWaalsContact C-N 3.28Å
272	N	87.8	Confident	91.6	Very high	72 Å²	72	42 Å²	42	39%	0.385	19%	0.189	S	C	.	.	S	Bend	trans	-132.5	140.8	-176	-177.1	-0.7	0	0	0	110.4	H270 Q274 H275 T276	H270-N272 PolarHBondContact O-N 3.01Å; N272-Q274 VanDerWaalsContact C-N 3.28Å; N272-Q274 PolarHBondContact O-N 3.44Å; N272-Q274 PolarHBondContact OD1-N 3.14Å; N272-Q274 VanDerWaalsContact OD1-N 3.11Å; N272-H275 HydrophobicContact CB-CB 4.41Å; N272-H275 PolarHBondContact O-N 3.22Å; N272-T276 PolarHBondContact O-N 3Å; N272-T276 VanDerWaalsContact O-N 3.12Å; N272-T276 PolarHBondContact O-OG1 2.03Å
273	K	90.6	Very high	91.5	Very high	61 Å²	61	41.9 Å²	41.9	27%	0.265	19%	0.189	S	C	.	.	H	α-helix	trans	-50.8	-47.6	172.5	-61.6	-170.7	-71.9	-173.7	0	111	H135 E137 Y267 H275 T276 K277 T308	H135-K273 HydrophobicContact CB-CD 4.26Å; H135-K273 PolarHBondContact CD2-NZ 2.72Å; H135-K273 PolarHBondContact NE2-NZ 3.37Å; E137-K273 IonicContact OE1-NZ 3.77Å; Y267-K273 HydrophobicContact CD2-CG 4.43Å; Y267-K273 HydrophobicContact CE2-CB 4.49Å; Y267-K273 HydrophobicContact CE2-CG 3.66Å; K273-H275 VanDerWaalsContact C-N 3.34Å; K273-H275 PolarHBondContact O-N 2.89Å; K273-T276 PolarHBondContact O-N 3.16Å; K273-K277 VanDerWaalsContact O-CG 3.23Å; K273-K277 WeakPolarHBondContact O-CG 3.27Å; K273-K277 PolarHBondContact O-N 3.46Å; K273-T308 HydrophobicContact CD-CG2 3.93Å; K273-T308 HydrophobicContact CG-CG2 3.97Å
274	Q	88.7	Confident	91.5	Very high	60 Å²	60	42 Å²	42	28%	0.28	19%	0.189	S	C	.	.	H	α-helix	trans	-62.7	-39.8	-177.6	-167.5	63.3	12.3	0	0	112.5	E148 N272 K277 N278	E148-Q274 PolarHBondContact OE2-NE2 2.84Å; N272-Q274 VanDerWaalsContact C-N 3.28Å; N272-Q274 PolarHBondContact O-N 3.44Å; N272-Q274 PolarHBondContact OD1-N 3.14Å; N272-Q274 VanDerWaalsContact OD1-N 3.11Å; Q274-K277 PolarHBondContact O-N 2.71Å; Q274-N278 PolarHBondContact NE2-OD1 2.82Å; Q274-N278 WeakPolarHBondContact O-CB 3.47Å; Q274-N278 PolarHBondContact O-N 2.85Å; Q274-N278 PolarHBondContact O-OD1 3.47Å
275	H	88.4	Confident	91.4	Very high	49 Å²	49	40.8 Å²	40.8	23%	0.227	18%	0.184	C	C	.	.	H	α-helix	trans	-68.9	-39.2	178.2	-64.8	159	0	0	0	112.2	H270 N272 K273 N278 F279	H270-H275 HydrophobicContact CB-CB 4.04Å; H270-H275 PolarHBondContact O-ND1 2.87Å; N272-H275 HydrophobicContact CB-CB 4.41Å; N272-H275 PolarHBondContact O-N 3.22Å; K273-H275 VanDerWaalsContact C-N 3.34Å; K273-H275 PolarHBondContact O-N 2.89Å; H275-N278 PolarHBondContact O-N 3.23Å; H275-F279 VanDerWaalsContact O-CB 3.31Å; H275-F279 WeakPolarHBondContact O-CB 3Å; H275-F279 PolarHBondContact O-N 3.06Å
276	T	91.6	Very high	91.4	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	18%	0.176	C	C	.	.	H	α-helix	trans	-62	-44.8	174.4	-49.1	0	0	0	0	111.2	H270 N272 K273 F279 A280 I306	H270-T276 WeakPolarHBondContact CB-OG1 3.22Å; N272-T276 PolarHBondContact O-N 3Å; N272-T276 VanDerWaalsContact O-N 3.12Å; N272-T276 PolarHBondContact O-OG1 2.03Å; K273-T276 PolarHBondContact O-N 3.16Å; T276-F279 PolarHBondContact O-N 2.96Å; T276-A280 PolarHBondContact O-N 3.42Å; T276-A280 VanDerWaalsContact O-N 3.08Å; T276-I306 HydrophobicContact CG2-CD1 4.05Å; T276-I306 HydrophobicContact CG2-CG1 4.27Å; T276-I306 HydrophobicContact CG2-CG2 4.33Å
277	K	92.1	Very high	91.6	Very high	22 Å²	22	39.8 Å²	39.8	10%	0.096	18%	0.176	C	C	.	.	H	α-helix	trans	-58.6	-50.7	175.4	-65.9	169	-179.7	-166.7	0	111.1	E133 K273 Q274 F279 A280 K281 L304 I306	E133-K277 VanDerWaalsContact OE2-CD 3.27Å; E133-K277 WeakPolarHBondContact OE2-CD 3.39Å; E133-K277 WeakPolarHBondContact OE2-CE 3.4Å; E133-K277 IonicContact OE2-NZ 3.29Å; E133-K277 PolarHBondContact OE2-NZ 2.78Å; K273-K277 VanDerWaalsContact O-CG 3.23Å; K273-K277 WeakPolarHBondContact O-CG 3.27Å; K273-K277 PolarHBondContact O-N 3.46Å; Q274-K277 PolarHBondContact O-N 2.71Å; K277-F279 VanDerWaalsContact C-N 3.33Å; K277-F279 PolarHBondContact O-N 3.36Å; K277-A280 PolarHBondContact O-N 3.04Å; K277-K281 WeakPolarHBondContact O-CG 3.23Å; K277-K281 PolarHBondContact O-N 3.44Å; K277-L304 HydrophobicContact CB-CD2 3.97Å; K277-L304 HydrophobicContact CG-CD2 3.53Å; K277-I306 HydrophobicContact CG-CD1 3.62Å
278	N	91.1	Very high	91.6	Very high	17 Å²	17	37.1 Å²	37.1	9%	0.091	17%	0.165	C	C	.	.	H	α-helix	trans	-64	-41.2	-175.8	-71.3	4.9	0	0	0	111.7	Y151 C169 Q274 H275 S282	Y151-N278 VanDerWaalsContact OH-CA 3.28Å; Y151-N278 WeakPolarHBondContact OH-CA 3.28Å; Y151-N278 PolarHBondContact OH-O 3.23Å; C169-N278 WeakPolarHBondContact CB-ND2 3.35Å; Q274-N278 PolarHBondContact NE2-OD1 2.82Å; Q274-N278 WeakPolarHBondContact O-CB 3.47Å; Q274-N278 PolarHBondContact O-N 2.85Å; Q274-N278 PolarHBondContact O-OD1 3.47Å; H275-N278 PolarHBondContact O-N 3.23Å; N278-S282 WeakPolarHBondContact O-CB 3.49Å; N278-S282 PolarHBondContact O-N 3.03Å; N278-S282 PolarHBondContact O-OG 3.18Å; N278-S282 VanDerWaalsContact O-OG 3.06Å
279	F	91.6	Very high	91.5	Very high	19 Å²	19	31.7 Å²	31.7	8%	0.083	15%	0.148	C	C	.	.	H	α-helix	trans	-60.2	-50.8	175.7	177.1	-100.1	0	0	0	112	M266 H270 H275 T276 K277 K281 S282 V283 Y374 M380	M266-F279 HydrophobicContact CE-CD1 4.09Å; M266-F279 HydrophobicContact CE-CE1 3.86Å; H270-F279 AromaticContact CE1-CD1 3.91Å; H270-F279 AromaticContact NE2-CD1 3.78Å; H270-F279 AromaticContact NE2-CD2 3.81Å; H270-F279 AromaticContact NE2-CG 3.48Å; H270-F279 WeakPolarHBondContact NE2-CG 3.22Å; H275-F279 VanDerWaalsContact O-CB 3.31Å; H275-F279 WeakPolarHBondContact O-CB 3Å; H275-F279 PolarHBondContact O-N 3.06Å; T276-F279 PolarHBondContact O-N 2.96Å; K277-F279 VanDerWaalsContact C-N 3.33Å; K277-F279 PolarHBondContact O-N 3.36Å; F279-K281 PolarHBondContact O-N 3.46Å; F279-S282 WeakPolarHBondContact O-CB 3Å; F279-S282 PolarHBondContact O-N 3.44Å; F279-V283 HydrophobicContact CE1-CG2 4.12Å; F279-V283 HydrophobicContact CE2-CG2 4.27Å; F279-V283 HydrophobicContact CZ-CG2 4.01Å; F279-V283 WeakPolarHBondContact O-CG2 3.01Å; F279-V283 PolarHBondContact O-N 3.26Å; F279-Y374 HydrophobicContact CE1-CD2 4.38Å; F279-Y374 HydrophobicContact CE1-CE2 4.12Å; F279-Y374 HydrophobicContact CZ-CD2 4.36Å; F279-Y374 AromaticContact CZ-CE2 3.85Å; F279-Y374 HydrophobicContact CZ-CE2 3.85Å; F279-M380 HydrophobicContact CE1-CG 4Å; F279-M380 HydrophobicContact CZ-CB 4.11Å; F279-M380 HydrophobicContact CZ-CG 3.7Å
280	A	94.1	Very high	91.5	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.008	13%	0.128	C	C	.	.	H	α-helix	trans	-61	-47.7	-179.5	0	0	0	0	0	111.8	I260 T276 K277 S282 V283 V284 L304 L344	I260-A280 HydrophobicContact CG2-CB 4.16Å; T276-A280 PolarHBondContact O-N 3.42Å; T276-A280 VanDerWaalsContact O-N 3.08Å; K277-A280 PolarHBondContact O-N 3.04Å; A280-S282 VanDerWaalsContact C-N 3.35Å; A280-S282 PolarHBondContact O-N 3.33Å; A280-V283 PolarHBondContact O-N 3.24Å; A280-V284 WeakPolarHBondContact O-CG2 3.42Å; A280-V284 PolarHBondContact O-N 2.76Å; A280-L304 HydrophobicContact CB-CD1 3.39Å; A280-L344 HydrophobicContact CB-CD1 4.28Å
281	K	93.6	Very high	91.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.2	-38.4	175.9	-69.7	178.2	-173.8	177.3	0	112.5	L127 Y131 E133 E148 Y151 K277 F279 V283 V284 N285 L301	L127-K281 HydrophobicContact CD2-CD 4.44Å; L127-K281 HydrophobicContact CD2-CG 4.49Å; Y131-K281 WeakPolarHBondContact OH-CE 2.98Å; E133-K281 VanDerWaalsContact OE1-CE 3.25Å; E133-K281 WeakPolarHBondContact OE1-CE 3.29Å; E133-K281 IonicContact OE1-NZ 3.63Å; E133-K281 PolarHBondContact OE1-NZ 3.27Å; E148-K281 PolarHBondContact O-NZ 3.36Å; Y151-K281 HydrophobicContact CD1-CB 4.43Å; Y151-K281 HydrophobicContact CD2-CB 4.37Å; Y151-K281 HydrophobicContact CE1-CB 3.66Å; Y151-K281 HydrophobicContact CE2-CB 3.62Å; Y151-K281 HydrophobicContact CE2-CD 3.53Å; Y151-K281 HydrophobicContact CE2-CG 4.2Å; Y151-K281 WeakPolarHBondContact OH-CB 3.1Å; K277-K281 WeakPolarHBondContact O-CG 3.23Å; K277-K281 PolarHBondContact O-N 3.44Å; F279-K281 PolarHBondContact O-N 3.46Å; K281-V283 VanDerWaalsContact C-N 3.35Å; K281-V283 PolarHBondContact O-N 2.78Å; K281-V284 PolarHBondContact O-N 3.03Å; K281-N285 WeakPolarHBondContact O-CB 3.02Å; K281-N285 PolarHBondContact O-N 3.04Å; K281-L301 HydrophobicContact CG-CD2 3.86Å
282	S	93.2	Very high	92	Very high	6 Å²	6	21.3 Å²	21.3	4%	0.042	11%	0.107	C	C	.	.	H	α-helix	trans	-60.2	-45	174	-73	0	0	0	0	111.3	Y151 S167 H173 N278 F279 A280 N285 L286	Y151-S282 VanDerWaalsContact CE1-N 3.34Å; S167-S282 WeakPolarHBondContact CB-OG 3.11Å; H173-S282 PolarHBondContact ND1-OG 2.95Å; N278-S282 WeakPolarHBondContact O-CB 3.49Å; N278-S282 PolarHBondContact O-N 3.03Å; N278-S282 PolarHBondContact O-OG 3.18Å; N278-S282 VanDerWaalsContact O-OG 3.06Å; F279-S282 WeakPolarHBondContact O-CB 3Å; F279-S282 PolarHBondContact O-N 3.44Å; A280-S282 VanDerWaalsContact C-N 3.35Å; A280-S282 PolarHBondContact O-N 3.33Å; S282-N285 WeakPolarHBondContact O-CB 3.03Å; S282-N285 PolarHBondContact O-N 3.34Å; S282-L286 WeakPolarHBondContact O-CG 3.37Å; S282-L286 PolarHBondContact O-N 2.7Å; S282-L286 VanDerWaalsContact O-N 3.17Å
283	V	94.3	Very high	91.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.2	-46.5	177.2	173.5	0	0	0	0	110.5	F279 A280 K281 N285 L286 V287 T377 M380 L384	F279-V283 HydrophobicContact CE1-CG2 4.12Å; F279-V283 HydrophobicContact CE2-CG2 4.27Å; F279-V283 HydrophobicContact CZ-CG2 4.01Å; F279-V283 WeakPolarHBondContact O-CG2 3.01Å; F279-V283 PolarHBondContact O-N 3.26Å; A280-V283 PolarHBondContact O-N 3.24Å; K281-V283 VanDerWaalsContact C-N 3.35Å; K281-V283 PolarHBondContact O-N 2.78Å; V283-N285 VanDerWaalsContact C-N 3.31Å; V283-N285 PolarHBondContact O-N 3.24Å; V283-L286 WeakPolarHBondContact O-CB 3.22Å; V283-L286 PolarHBondContact O-N 3.36Å; V283-V287 WeakPolarHBondContact O-CG2 3.45Å; V283-V287 PolarHBondContact O-N 2.77Å; V283-T377 HydrophobicContact CG2-CG2 4.43Å; V283-M380 HydrophobicContact CG1-CB 4.06Å; V283-M380 HydrophobicContact CG2-CB 3.81Å; V283-L384 HydrophobicContact CG1-CB 4.33Å; V283-L384 HydrophobicContact CG1-CD2 3.81Å
284	V	96	Very high	91.7	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.006	10%	0.101	C	C	.	.	H	α-helix	trans	-62.1	-38	177.5	-178.8	0	0	0	0	111.5	L126 I258 I260 A280 K281 L286 V287 D288 V299 L301 L384	L126-V284 HydrophobicContact CD1-CB 4.34Å; L126-V284 HydrophobicContact CD1-CG1 3.77Å; I258-V284 HydrophobicContact CD1-CG1 3.95Å; I258-V284 HydrophobicContact CD1-CG2 4.01Å; I260-V284 HydrophobicContact CD1-CG2 4.18Å; I260-V284 HydrophobicContact CG1-CG2 3.87Å; A280-V284 WeakPolarHBondContact O-CG2 3.42Å; A280-V284 PolarHBondContact O-N 2.76Å; K281-V284 PolarHBondContact O-N 3.03Å; V284-L286 VanDerWaalsContact C-N 3.29Å; V284-L286 PolarHBondContact O-N 2.04Å; V284-V287 PolarHBondContact O-N 3.22Å; V284-V287 VanDerWaalsContact O-N 3.15Å; V284-D288 PolarHBondContact O-N 3.32Å; V284-V299 HydrophobicContact CG1-CG1 3.89Å; V284-L301 HydrophobicContact CG1-CB 4.41Å; V284-L301 HydrophobicContact CG2-CD1 4.43Å; V284-L384 HydrophobicContact CG2-CD2 4.13Å
285	N	94.9	Very high	91.8	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.011	9%	0.089	C	C	.	.	H	α-helix	trans	-61.3	-37	176.3	-171.1	53.5	0	0	0	112.9	N123 L126 Y151 Y152 H153 K281 S282 V283 G289	N123-N285 PolarHBondContact ND2-OD1 3.47Å; L126-N285 HydrophobicContact CD1-CB 4.24Å; L126-N285 HydrophobicContact CD2-CB 3.76Å; Y151-N285 HydrophobicContact CD1-CB 4.07Å; Y151-N285 HydrophobicContact CG-CB 4.46Å; Y152-N285 PolarHBondContact O-ND2 3.25Å; Y152-N285 VanDerWaalsContact O-ND2 3.15Å; H153-N285 PolarHBondContact NE2-O 2.98Å; H153-N285 PolarHBondContact NE2-OD1 2.78Å; K281-N285 WeakPolarHBondContact O-CB 3.02Å; K281-N285 PolarHBondContact O-N 3.04Å; S282-N285 WeakPolarHBondContact O-CB 3.03Å; S282-N285 PolarHBondContact O-N 3.34Å; V283-N285 VanDerWaalsContact C-N 3.31Å; V283-N285 PolarHBondContact O-N 3.24Å; N285-G289 PolarHBondContact O-N 2.88Å
286	L	92.8	Very high	91.8	Very high	9 Å²	9	19.7 Å²	19.7	5%	0.047	10%	0.1	C	C	.	.	H	α-helix	trans	-68	-43.5	174.3	-63.6	172.7	0	0	0	111	A165 M175 S282 V283 V284 G289 I290 T377 F381	A165-L286 HydrophobicContact CB-CD2 3.73Å; A165-L286 WeakPolarHBondContact O-CD2 3.33Å; M175-L286 HydrophobicContact CB-CD2 3.8Å; M175-L286 HydrophobicContact CG-CD1 4.21Å; M175-L286 HydrophobicContact CG-CD2 3.97Å; M175-L286 HydrophobicContact SD-CD1 3.84Å; M175-L286 HydrophobicContact SD-CD2 4.28Å; S282-L286 WeakPolarHBondContact O-CG 3.37Å; S282-L286 PolarHBondContact O-N 2.7Å; S282-L286 VanDerWaalsContact O-N 3.17Å; V283-L286 WeakPolarHBondContact O-CB 3.22Å; V283-L286 PolarHBondContact O-N 3.36Å; V284-L286 VanDerWaalsContact C-N 3.29Å; V284-L286 PolarHBondContact O-N 2.04Å; L286-G289 PolarHBondContact O-N 2.77Å; L286-I290 PolarHBondContact O-N 3.27Å; L286-T377 HydrophobicContact CD1-CG2 3.8Å; L286-F381 HydrophobicContact CB-CB 4.29Å; L286-F381 HydrophobicContact CB-CD2 3.44Å; L286-F381 VanDerWaalsContact CB-CD2 3.44Å; L286-F381 HydrophobicContact CB-CE2 4.05Å; L286-F381 HydrophobicContact CB-CG 4.07Å; L286-F381 HydrophobicContact CD1-CB 4.07Å; L286-F381 HydrophobicContact CD1-CG 4.47Å; L286-F381 WeakPolarHBondContact O-CE2 3.46Å
287	V	95.4	Very high	91.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-64.6	-42.8	178	179.3	0	0	0	0	111.5	V283 V284 G289 I290 F291 V299 F381 L384 L388	V283-V287 WeakPolarHBondContact O-CG2 3.45Å; V283-V287 PolarHBondContact O-N 2.77Å; V284-V287 PolarHBondContact O-N 3.22Å; V284-V287 VanDerWaalsContact O-N 3.15Å; V287-G289 VanDerWaalsContact C-N 3.29Å; V287-G289 PolarHBondContact O-N 3.38Å; V287-I290 WeakPolarHBondContact O-CG2 3.38Å; V287-I290 PolarHBondContact O-N 2.97Å; V287-F291 HydrophobicContact CG1-CD2 3.6Å; V287-F291 HydrophobicContact CG1-CE2 3.55Å; V287-F291 HydrophobicContact CG1-CG 4.37Å; V287-F291 HydrophobicContact CG1-CZ 4.25Å; V287-F291 VanDerWaalsContact O-CD2 3.25Å; V287-F291 WeakPolarHBondContact O-CD2 3.5Å; V287-F291 PolarHBondContact O-N 3.48Å; V287-V299 HydrophobicContact CG1-CG2 4.16Å; V287-F381 HydrophobicContact CG2-CD2 3.81Å; V287-F381 HydrophobicContact CG2-CE2 4.35Å; V287-L384 HydrophobicContact CG2-CB 4.2Å; V287-L384 HydrophobicContact CG2-CD2 3.96Å; V287-L384 HydrophobicContact CG2-CG 4.15Å; V287-L388 HydrophobicContact CG1-CD1 4.02Å
288	D	94.6	Very high	91.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-56.7	-44.6	174.8	-179.4	42.6	0	0	0	111.1	N123 L126 H153 V284 I290 F291 K292 R298 V299	N123-D288 PolarHBondContact ND2-OD2 3.04Å; L126-D288 HydrophobicContact CD1-CB 4.23Å; H153-D288 IonicContact CE1-OD2 3.54Å; H153-D288 PolarHBondContact CE1-OD2 3.5Å; H153-D288 VanDerWaalsContact CE1-OD2 3.23Å; V284-D288 PolarHBondContact O-N 3.32Å; D288-I290 VanDerWaalsContact C-N 3.33Å; D288-I290 PolarHBondContact O-N 2.79Å; D288-F291 PolarHBondContact O-N 3.06Å; D288-K292 WeakPolarHBondContact O-CB 3.38Å; D288-K292 PolarHBondContact O-N 2.9Å; D288-R298 WeakPolarHBondContact OD1-CA 3.24Å; D288-R298 IonicContact OD1-CZ 3.23Å; D288-R298 IonicContact OD1-NE 3.18Å; D288-R298 PolarHBondContact OD1-NE 3.46Å; D288-R298 IonicContact OD2-CZ 3.65Å; D288-R298 IonicContact OD2-NE 2.7Å; D288-R298 PolarHBondContact OD2-NE 3.46Å; D288-R298 IonicContact OD2-NH2 3.71Å; D288-R298 PolarHBondContact OD2-NH2 2.91Å; D288-R298 VanDerWaalsContact OD2-NH2 3.14Å; D288-V299 HydrophobicContact CB-CB 4.06Å; D288-V299 PolarHBondContact OD1-N 3.08Å
289	G	90.1	Very high	92	Very high	21 Å²	21	18.5 Å²	18.5	22%	0.216	9%	0.094	C	C	.	.	H	α-helix	trans	-55.6	-45.7	178.5	0	0	0	0	0	113	N285 L286 V287 D293	N285-G289 PolarHBondContact O-N 2.88Å; L286-G289 PolarHBondContact O-N 2.77Å; V287-G289 VanDerWaalsContact C-N 3.29Å; V287-G289 PolarHBondContact O-N 3.38Å; G289-D293 PolarHBondContact O-N 3.44Å
290	I	88.8	Confident	92.1	Very high	18 Å²	18	17.6 Å²	17.6	9%	0.092	9%	0.09	C	C	.	.	H	α-helix	trans	-77.4	-36.4	-177.3	-162.3	61.4	0	0	0	113.5	L286 V287 D288 K292 Q294 F381 I415 Q425	L286-I290 PolarHBondContact O-N 3.27Å; V287-I290 WeakPolarHBondContact O-CG2 3.38Å; V287-I290 PolarHBondContact O-N 2.97Å; D288-I290 VanDerWaalsContact C-N 3.33Å; D288-I290 PolarHBondContact O-N 2.79Å; I290-K292 VanDerWaalsContact C-N 3.34Å; I290-Q294 HydrophobicContact CD1-CG 4.1Å; I290-Q294 PolarHBondContact O-N 3.49Å; I290-F381 HydrophobicContact CB-CE2 4.2Å; I290-F381 HydrophobicContact CB-CZ 4.14Å; I290-F381 HydrophobicContact CG2-CE2 3.66Å; I290-F381 HydrophobicContact CG2-CZ 3.87Å; I290-I415 HydrophobicContact CG1-CD1 3.91Å; I290-I415 HydrophobicContact CG2-CD1 4.36Å; I290-Q425 WeakPolarHBondContact CD1-O 3.27Å
291	F	93.6	Very high	92.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-68.6	-37.1	176.3	-83	-124.2	0	0	0	110.8	L256 V287 D288 L295 H296 T297 V299 L388 L392 F427	L256-F291 HydrophobicContact CD2-CD1 4.4Å; L256-F291 HydrophobicContact CD2-CE1 4.24Å; V287-F291 HydrophobicContact CG1-CD2 3.6Å; V287-F291 HydrophobicContact CG1-CE2 3.55Å; V287-F291 HydrophobicContact CG1-CG 4.37Å; V287-F291 HydrophobicContact CG1-CZ 4.25Å; V287-F291 VanDerWaalsContact O-CD2 3.25Å; V287-F291 WeakPolarHBondContact O-CD2 3.5Å; V287-F291 PolarHBondContact O-N 3.48Å; D288-F291 PolarHBondContact O-N 3.06Å; F291-L295 HydrophobicContact CD1-CD1 3.97Å; F291-L295 HydrophobicContact CE1-CD1 4.1Å; F291-L295 HydrophobicContact CG-CD1 4.3Å; F291-L295 CarbonylContact O-C 3.57Å; F291-L295 WeakPolarHBondContact O-CA 3.31Å; F291-L295 WeakPolarHBondContact O-CB 3.11Å; F291-L295 PolarHBondContact O-N 3.43Å; F291-H296 PolarHBondContact O-N 2.92Å; F291-T297 CarbonylContact C-O 3.56Å; F291-T297 VanDerWaalsContact CB-O 3.25Å; F291-T297 WeakPolarHBondContact CB-O 3.34Å; F291-T297 HydrophobicContact CD1-CG2 4.4Å; F291-T297 PolarHBondContact O-N 2.94Å; F291-T297 VanDerWaalsContact O-N 3.13Å; F291-V299 HydrophobicContact CB-CG2 3.91Å; F291-V299 HydrophobicContact CD1-CG2 3.94Å; F291-V299 HydrophobicContact CG-CG2 3.89Å; F291-L388 HydrophobicContact CE1-CB 4.08Å; F291-L388 HydrophobicContact CZ-CB 3.85Å; F291-L392 HydrophobicContact CD1-CD1 4.37Å; F291-L392 HydrophobicContact CE1-CD1 3.76Å; F291-F427 HydrophobicContact CD2-CE2 4.19Å; F291-F427 HydrophobicContact CD2-CZ 4.49Å; F291-F427 AromaticContact CE2-CE2 3.95Å; F291-F427 HydrophobicContact CE2-CE2 3.95Å; F291-F427 AromaticContact CE2-CZ 3.8Å; F291-F427 HydrophobicContact CE2-CZ 3.8Å; F291-F427 HydrophobicContact CZ-CE2 4.46Å; F291-F427 HydrophobicContact CZ-CZ 4.02Å
292	K	89.7	Confident	92	Very high	88 Å²	88	18 Å²	18	38%	0.383	9%	0.092	S	C	.	.	H	α-helix	trans	-60.5	-51.7	176.5	176.8	-178.6	176.4	179.2	0	110.7	M253 D288 I290 H296 T297	M253-K292 HydrophobicContact CE-CB 4.3Å; M253-K292 HydrophobicContact CE-CG 3.92Å; D288-K292 WeakPolarHBondContact O-CB 3.38Å; D288-K292 PolarHBondContact O-N 2.9Å; I290-K292 VanDerWaalsContact C-N 3.34Å; K292-H296 PolarHBondContact O-N 3.14Å; K292-T297 VanDerWaalsContact CA-O 3.31Å; K292-T297 WeakPolarHBondContact CA-O 3.42Å; K292-T297 PolarHBondContact N-O 2.82Å
293	D	84.2	Confident	92.1	Very high	73 Å²	73	17.8 Å²	17.8	39%	0.39	9%	0.09	S	C	.	.	H	α-helix	trans	-67.7	-48.2	-176.6	-178.2	56.4	0	0	0	112.3	H163 G289	H163-D293 IonicContact NE2-OD1 3.69Å; G289-D293 PolarHBondContact O-N 3.44Å
294	Q	87.1	Confident	92.2	Very high	31 Å²	31	17.8 Å²	17.8	15%	0.145	9%	0.09	C	C	.	.	H	α-helix	trans	-100.6	-25.3	-166.4	-62.2	-171.3	15.7	0	0	114.9	I290 F427	I290-Q294 HydrophobicContact CD1-CG 4.1Å; I290-Q294 PolarHBondContact O-N 3.49Å; Q294-F427 HydrophobicContact CB-CD2 4.29Å
295	L	90.3	Very high	92.2	Very high	6 Å²	6	18 Å²	18	3%	0.031	9%	0.091	C	C	.	.	H	α-helix	trans	-115	1.3	-177	-58.2	-178.8	0	0	0	113	F291 T297 I394 F427 I432 Y435	F291-L295 HydrophobicContact CD1-CD1 3.97Å; F291-L295 HydrophobicContact CE1-CD1 4.1Å; F291-L295 HydrophobicContact CG-CD1 4.3Å; F291-L295 CarbonylContact O-C 3.57Å; F291-L295 WeakPolarHBondContact O-CA 3.31Å; F291-L295 WeakPolarHBondContact O-CB 3.11Å; F291-L295 PolarHBondContact O-N 3.43Å; L295-T297 PolarHBondContact O-N 3.36Å; L295-T297 PolarHBondContact O-OG1 2.01Å; L295-I394 HydrophobicContact CD1-CD1 4.25Å; L295-F427 HydrophobicContact CD1-CD2 4.1Å; L295-F427 HydrophobicContact CD1-CE2 3.69Å; L295-F427 HydrophobicContact CD1-CZ 4.02Å; L295-F427 HydrophobicContact CD2-CD2 4.27Å; L295-F427 HydrophobicContact CG-CD2 4.06Å; L295-F427 HydrophobicContact CG-CE2 4.1Å; L295-I432 HydrophobicContact CD2-CG1 4.27Å; L295-Y435 HydrophobicContact CB-CD1 4.43Å; L295-Y435 HydrophobicContact CB-CE1 4.21Å; L295-Y435 HydrophobicContact CD2-CD1 4Å; L295-Y435 HydrophobicContact CD2-CG 4.41Å
296	H	89.8	Confident	92.3	Very high	99 Å²	99	17.9 Å²	17.9	46%	0.458	9%	0.091	S	C	.	.	S	Bend	trans	49.2	42.6	-172.5	-68.7	60.4	0	0	0	111.3	M253 K254 F291 K292	M253-H296 VanDerWaalsContact CE-C 3.45Å; M253-H296 HydrophobicContact SD-CB 4.08Å; M253-H296 VanDerWaalsContact SD-O 3.33Å; K254-H296 WeakPolarHBondContact CD-O 3.15Å; K254-H296 PolarHBondContact N-O 3.35Å; F291-H296 PolarHBondContact O-N 2.92Å; K292-H296 PolarHBondContact O-N 3.14Å
297	T	92.1	Very high	92.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	126.7	-176	-59.9	0	0	0	0	109.5	K254 L256 F291 K292 L295 Y435	K254-T297 HydrophobicContact CB-CG2 4.02Å; K254-T297 CarbonylContact O-C 3.52Å; K254-T297 WeakPolarHBondContact O-CA 3.34Å; L256-T297 HydrophobicContact CB-CG2 3.96Å; F291-T297 CarbonylContact C-O 3.56Å; F291-T297 VanDerWaalsContact CB-O 3.25Å; F291-T297 WeakPolarHBondContact CB-O 3.34Å; F291-T297 HydrophobicContact CD1-CG2 4.4Å; F291-T297 PolarHBondContact O-N 2.94Å; F291-T297 VanDerWaalsContact O-N 3.13Å; K292-T297 VanDerWaalsContact CA-O 3.31Å; K292-T297 WeakPolarHBondContact CA-O 3.42Å; K292-T297 PolarHBondContact N-O 2.82Å; L295-T297 PolarHBondContact O-N 3.36Å; L295-T297 PolarHBondContact O-OG1 2.01Å; T297-Y435 PolarHBondContact OG1-OH 2.85Å; T297-Y435 VanDerWaalsContact OG1-OH 3.08Å
298	R	91.8	Very high	92.5	Very high	15 Å²	15	18 Å²	18	6%	0.057	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	139.7	173	-62.1	-55.2	-65.3	-82.3	3.8	110.6	N123 D125 M253 K254 Y255 L256 D288 V300	N123-R298 PolarHBondContact OD1-NH2 2.82Å; D125-R298 VanDerWaalsContact CB-NH2 3.32Å; D125-R298 IonicContact OD2-CZ 3.61Å; D125-R298 IonicContact OD2-NH1 2.78Å; D125-R298 PolarHBondContact OD2-NH1 3.02Å; D125-R298 IonicContact OD2-NH2 3.67Å; D125-R298 PolarHBondContact OD2-NH2 3.48Å; M253-R298 HydrophobicContact CE-CG 3.46Å; M253-R298 VanDerWaalsContact CE-CG 3.46Å; M253-R298 HydrophobicContact CG-CG 4.21Å; K254-R298 PolarHBondContact O-N 2.81Å; Y255-R298 HydrophobicContact CD1-CB 3.89Å; Y255-R298 HydrophobicContact CD1-CG 4.21Å; Y255-R298 HydrophobicContact CE1-CB 4.21Å; Y255-R298 HydrophobicContact CE1-CG 4.02Å; L256-R298 WeakPolarHBondContact CB-O 3.05Å; L256-R298 PolarHBondContact N-O 3.26Å; D288-R298 WeakPolarHBondContact OD1-CA 3.24Å; D288-R298 IonicContact OD1-CZ 3.23Å; D288-R298 IonicContact OD1-NE 3.18Å; D288-R298 PolarHBondContact OD1-NE 3.46Å; D288-R298 IonicContact OD2-CZ 3.65Å; D288-R298 IonicContact OD2-NE 2.7Å; D288-R298 PolarHBondContact OD2-NE 3.46Å; D288-R298 IonicContact OD2-NH2 3.71Å; D288-R298 PolarHBondContact OD2-NH2 2.91Å; D288-R298 VanDerWaalsContact OD2-NH2 3.14Å; R298-V300 HydrophobicContact CB-CG2 4.46Å
299	V	94.8	Very high	92.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	114.2	173.8	-175.7	0	0	0	0	109.1	L256 I258 V284 V287 D288 F291 L388	L256-V299 HydrophobicContact CD2-CG2 4.18Å; I258-V299 HydrophobicContact CD1-CG1 3.49Å; I258-V299 VanDerWaalsContact CD1-CG1 3.49Å; I258-V299 HydrophobicContact CG1-CG1 3.85Å; I258-V299 HydrophobicContact CG2-CG1 4.2Å; V284-V299 HydrophobicContact CG1-CG1 3.89Å; V287-V299 HydrophobicContact CG1-CG2 4.16Å; D288-V299 HydrophobicContact CB-CB 4.06Å; D288-V299 PolarHBondContact OD1-N 3.08Å; F291-V299 HydrophobicContact CB-CG2 3.91Å; F291-V299 HydrophobicContact CD1-CG2 3.94Å; F291-V299 HydrophobicContact CG-CG2 3.89Å; V299-L388 HydrophobicContact CG1-CD1 4.5Å
300	V	92.8	Very high	92.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	118.6	-173.8	-173.1	0	0	0	0	108.8	Y255 L256 E257 I258 R298 V302 P451 L454	Y255-V300 HydrophobicContact CD1-CG2 4.35Å; L256-V300 PolarHBondContact O-N 3.24Å; E257-V300 CarbonylContact C-O 3.21Å; E257-V300 WeakPolarHBondContact CA-O 3.49Å; I258-V300 PolarHBondContact N-O 2.84Å; R298-V300 HydrophobicContact CB-CG2 4.46Å; V300-V302 PolarHBondContact O-N 3.45Å; V300-P451 HydrophobicContact CG1-CG 4.46Å; V300-P451 HydrophobicContact CG2-CG 4.26Å; V300-L454 HydrophobicContact CG1-CD2 4.31Å
301	L	93.9	Very high	93.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	112.2	177.4	-172.4	65.3	0	0	0	110	L126 L127 S128 Y131 I258 I260 K281 V284 A303	L126-L301 WeakPolarHBondContact O-CB 3.47Å; L126-L301 PolarHBondContact O-N 3.04Å; L127-L301 HydrophobicContact CD2-CB 3.95Å; L127-L301 HydrophobicContact CD2-CD2 3.82Å; L127-L301 HydrophobicContact CD2-CG 4.34Å; S128-L301 PolarHBondContact N-O 3.06Å; Y131-L301 HydrophobicContact CD2-CD2 4.4Å; Y131-L301 HydrophobicContact CD2-CG 4.14Å; Y131-L301 WeakPolarHBondContact CD2-O 3.06Å; Y131-L301 HydrophobicContact CE2-CD2 3.59Å; Y131-L301 HydrophobicContact CE2-CG 3.69Å; I258-L301 HydrophobicContact CG1-CD1 4.13Å; I260-L301 HydrophobicContact CB-CD1 4.22Å; I260-L301 HydrophobicContact CG1-CD1 3.65Å; K281-L301 HydrophobicContact CG-CD2 3.86Å; V284-L301 HydrophobicContact CG1-CB 4.41Å; V284-L301 HydrophobicContact CG2-CD1 4.43Å; L301-A303 WeakPolarHBondContact CD1-O 3.21Å
302	V	92.4	Very high	93.2	Very high	10 Å²	10	31.4 Å²	31.4	6%	0.061	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-26.6	178.2	-63	0	0	0	0	113	Y131 I132 E257 I258 M259 V300 L336 A338	Y131-V302 WeakPolarHBondContact CA-O 3Å; I132-V302 PolarHBondContact N-O 3.09Å; E257-V302 HydrophobicContact CB-CG1 3.74Å; E257-V302 HydrophobicContact CG-CG1 4.05Å; I258-V302 VanDerWaalsContact O-CG2 3.26Å; I258-V302 WeakPolarHBondContact O-CG2 3.37Å; I258-V302 PolarHBondContact O-N 3.35Å; M259-V302 HydrophobicContact CB-CG2 4.41Å; V300-V302 PolarHBondContact O-N 3.45Å; V302-L336 HydrophobicContact CG2-CD2 4.13Å; V302-A338 HydrophobicContact CG2-CB 3.78Å
303	A	94.1	Very high	93.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	155.2	175.1	0	0	0	0	0	113.4	I132 M259 I260 L301 L336	I132-A303 HydrophobicContact CD1-CB 4.33Å; I132-A303 HydrophobicContact CG1-CB 3.6Å; I132-A303 VanDerWaalsContact O-CA 3.28Å; I132-A303 WeakPolarHBondContact O-CA 3.38Å; M259-A303 WeakPolarHBondContact CA-O 3.41Å; M259-A303 HydrophobicContact CB-CB 4.36Å; M259-A303 HydrophobicContact CE-CB 4.48Å; M259-A303 HydrophobicContact CG-CB 3.85Å; M259-A303 HydrophobicContact SD-CB 4.13Å; I260-A303 PolarHBondContact N-O 2.78Å; L301-A303 WeakPolarHBondContact CD1-O 3.21Å; A303-L336 HydrophobicContact CB-CD2 3.25Å
304	L	96.3	Very high	94.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	120.5	171.4	-170.9	108.6	0	0	0	110.3	Y131 I132 E133 I134 I260 K277 A280 I306	Y131-L304 HydrophobicContact CE2-CB 4.11Å; Y131-L304 VanDerWaalsContact OH-CB 3.22Å; Y131-L304 WeakPolarHBondContact OH-CB 3.44Å; I132-L304 PolarHBondContact O-N 2.8Å; E133-L304 CarbonylContact C-O 3.57Å; E133-L304 WeakPolarHBondContact CA-O 3.38Å; I134-L304 PolarHBondContact N-O 3.48Å; I260-L304 HydrophobicContact CB-CD1 3.95Å; I260-L304 HydrophobicContact CG2-CD1 3.99Å; I260-L304 CarbonylContact O-C 3.54Å; I260-L304 WeakPolarHBondContact O-CA 3.27Å; K277-L304 HydrophobicContact CB-CD2 3.97Å; K277-L304 HydrophobicContact CG-CD2 3.53Å; A280-L304 HydrophobicContact CB-CD1 3.39Å; L304-I306 HydrophobicContact CD2-CD1 3.82Å; L304-I306 HydrophobicContact CD2-CG1 3.9Å
305	E	96.8	Very high	94.5	Very high	5 Å²	5	29.5 Å²	29.5	2%	0.023	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.9	175.6	-176.5	-179.5	159.1	0	0	111.3	I134 Y136 M259 I260 V261 S262 W307 Y329	I134-E305 HydrophobicContact CB-CB 4.12Å; I134-E305 HydrophobicContact CB-CG 4.01Å; I134-E305 HydrophobicContact CG2-CG 4.12Å; I134-E305 CarbonylContact O-C 3.49Å; I134-E305 WeakPolarHBondContact O-CA 3.32Å; Y136-E305 HydrophobicContact CE2-CG 4.21Å; Y136-E305 WeakPolarHBondContact CE2-OE1 3.42Å; Y136-E305 PolarHBondContact OH-OE1 3.21Å; M259-E305 HydrophobicContact CE-CB 3.65Å; M259-E305 WeakPolarHBondContact CE-OE2 3.5Å; I260-E305 PolarHBondContact O-N 3.14Å; V261-E305 CarbonylContact C-O 3.55Å; V261-E305 WeakPolarHBondContact CA-O 3.38Å; V261-E305 HydrophobicContact CG1-CB 4.45Å; V261-E305 HydrophobicContact CG2-CB 4.28Å; S262-E305 PolarHBondContact N-O 2.93Å; E305-W307 VanDerWaalsContact OE1-CD1 3.28Å; E305-W307 PolarHBondContact OE1-NE1 3.36Å; E305-Y329 PolarHBondContact OE1-OH 3.03Å
306	I	96.9	Very high	94.6	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.7	177.4	-54.4	171.6	0	0	0	109.5	I134 Y267 T276 K277 L304 T308	I134-I306 PolarHBondContact O-N 3.47Å; Y267-I306 HydrophobicContact CD2-CG2 4.1Å; Y267-I306 HydrophobicContact CG-CG2 4.2Å; T276-I306 HydrophobicContact CG2-CD1 4.05Å; T276-I306 HydrophobicContact CG2-CG1 4.27Å; T276-I306 HydrophobicContact CG2-CG2 4.33Å; K277-I306 HydrophobicContact CG-CD1 3.62Å; L304-I306 HydrophobicContact CD2-CD1 3.82Å; L304-I306 HydrophobicContact CD2-CG1 3.9Å; I306-T308 VanDerWaalsContact C-N 3.26Å; I306-T308 HydrophobicContact CB-CG2 4.29Å; I306-T308 HydrophobicContact CG2-CG2 3.79Å; I306-T308 PolarHBondContact O-N 2.85Å
307	W	96.7	Very high	94.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.158	C	C	.	.			trans	-78.2	71.5	176.3	-66	-9.6	0	0	0	111.8	Y136 V261 S262 D263 H264 E305 D309 K310 D311 Q312 I313 I315 Y329 L343	Y136-W307 AromaticContact CE2-CD1 3.8Å; V261-W307 HydrophobicContact CG1-CD2 4.23Å; V261-W307 HydrophobicContact CG1-CH2 4.39Å; V261-W307 HydrophobicContact CG1-CZ2 3.64Å; S262-W307 PolarHBondContact O-N 2.94Å; D263-W307 HydrophobicContact CB-CE3 3.97Å; D263-W307 HydrophobicContact CB-CZ3 4.28Å; H264-W307 WeakPolarHBondContact CA-O 3.45Å; H264-W307 HydrophobicContact CB-CB 4.44Å; H264-W307 VanDerWaalsContact CB-O 3.27Å; H264-W307 WeakPolarHBondContact CB-O 3.5Å; H264-W307 PolarHBondContact ND1-O 3.3Å; E305-W307 VanDerWaalsContact OE1-CD1 3.28Å; E305-W307 PolarHBondContact OE1-NE1 3.36Å; W307-D309 PolarHBondContact O-N 2.85Å; W307-K310 WeakPolarHBondContact CB-O 3.43Å; W307-D311 HydrophobicContact CE3-CB 3.88Å; W307-D311 HydrophobicContact CZ3-CB 4.13Å; W307-Q312 HydrophobicContact CD2-CB 4.19Å; W307-Q312 HydrophobicContact CD2-CG 3.87Å; W307-Q312 HydrophobicContact CG-CG 4.02Å; W307-Q312 HydrophobicContact CH2-CB 4.11Å; W307-Q312 HydrophobicContact CZ2-CB 3.68Å; W307-Q312 HydrophobicContact CZ2-CG 4.03Å; W307-I313 HydrophobicContact CH2-CB 4.34Å; W307-I313 HydrophobicContact CH2-CD1 4.09Å; W307-I313 HydrophobicContact CH2-CG1 3.72Å; W307-I313 HydrophobicContact CH2-CG2 4.1Å; W307-I313 HydrophobicContact CZ3-CG1 3.89Å; W307-I315 HydrophobicContact CZ3-CD1 4.13Å; W307-Y329 HydrophobicContact CZ2-CD1 4.23Å; W307-Y329 AromaticContact CZ2-CE1 3.87Å; W307-Y329 HydrophobicContact CZ2-CE1 3.87Å; W307-L343 HydrophobicContact CH2-CD1 4.23Å; W307-L343 HydrophobicContact CZ3-CD1 4.33Å
308	T	95.6	Very high	94.9	Very high	11 Å²	11	33.9 Å²	33.9	7%	0.067	18%	0.18	C	C	.	.	S	Bend	trans	-67.3	-34.7	-174.3	44.5	0	0	0	0	114.2	H135 Y136 H264 Y267 K273 I306	H135-T308 HydrophobicContact CB-CG2 3.99Å; Y136-T308 VanDerWaalsContact CA-OG1 3.32Å; Y136-T308 WeakPolarHBondContact CA-OG1 3.48Å; Y136-T308 WeakPolarHBondContact CB-OG1 3.38Å; Y136-T308 PolarHBondContact N-OG1 3.24Å; Y136-T308 PolarHBondContact O-OG1 3.01Å; H264-T308 PolarHBondContact CE1-O 3.18Å; H264-T308 PolarHBondContact ND1-O 2.04Å; H264-T308 VanDerWaalsContact ND1-O 3.07Å; Y267-T308 HydrophobicContact CD1-CG2 4.39Å; Y267-T308 HydrophobicContact CD2-CG2 4.06Å; Y267-T308 HydrophobicContact CE1-CG2 4.3Å; Y267-T308 HydrophobicContact CE2-CG2 3.98Å; Y267-T308 HydrophobicContact CG-CG2 4.26Å; K273-T308 HydrophobicContact CD-CG2 3.93Å; K273-T308 HydrophobicContact CG-CG2 3.97Å; I306-T308 VanDerWaalsContact C-N 3.26Å; I306-T308 HydrophobicContact CB-CG2 4.29Å; I306-T308 HydrophobicContact CG2-CG2 3.79Å; I306-T308 PolarHBondContact O-N 2.85Å
309	D	94.3	Very high	94.9	Very high	66 Å²	66	33.3 Å²	33.3	35%	0.353	18%	0.179	S	C	.	.	S	Bend	trans	-86.8	-51.1	-177.5	-71.2	-15.4	0	0	0	112.6	N138 G139 H264 W307	N138-D309 PolarHBondContact N-OD2 3.04Å; G139-D309 PolarHBondContact N-OD2 3.33Å; H264-D309 PolarHBondContact CE1-O 3.08Å; H264-D309 VanDerWaalsContact CE1-O 3.31Å; W307-D309 PolarHBondContact O-N 2.85Å
310	K	95	Very high	94.9	Very high	134 Å²	134	34.4 Å²	34.4	58%	0.583	18%	0.184	S	C	*	.	S	Bend	trans	-163.8	162	179.9	64.9	174.9	-174.5	174.8	0	110.7	W307 Q312	W307-K310 WeakPolarHBondContact CB-O 3.43Å; K310-Q312 PolarHBondContact O-NE2 3.23Å
311	D	97	Very high	95	Very high	55 Å²	55	39.1 Å²	39.1	29%	0.294	21%	0.207	S	C	.	.			trans	-65.3	141.9	172.8	-58	-53.7	0	0	0	111.9	H264 W307 I313 I315	H264-D311 WeakPolarHBondContact CB-OD1 3.31Å; H264-D311 PolarHBondContact N-OD1 2.65Å; W307-D311 HydrophobicContact CE3-CB 3.88Å; W307-D311 HydrophobicContact CZ3-CB 4.13Å; D311-I313 WeakPolarHBondContact CB-O 3.49Å; D311-I315 HydrophobicContact CB-CG1 4.05Å
312	Q	95.8	Very high	95	Very high	66 Å²	66	39.3 Å²	39.3	31%	0.308	21%	0.208	S	C	.	.	S	Bend	trans	-92	-11.3	178.6	-54.5	-60.8	-35.8	0	0	112.9	W307 K310 Y329	W307-Q312 HydrophobicContact CD2-CB 4.19Å; W307-Q312 HydrophobicContact CD2-CG 3.87Å; W307-Q312 HydrophobicContact CG-CG 4.02Å; W307-Q312 HydrophobicContact CH2-CB 4.11Å; W307-Q312 HydrophobicContact CZ2-CB 3.68Å; W307-Q312 HydrophobicContact CZ2-CG 4.03Å; K310-Q312 PolarHBondContact O-NE2 3.23Å; Q312-Y329 HydrophobicContact CB-CD2 3.98Å; Q312-Y329 HydrophobicContact CB-CE2 3.47Å; Q312-Y329 VanDerWaalsContact CB-CE2 3.47Å; Q312-Y329 HydrophobicContact CG-CE2 4.06Å
313	I	96.8	Very high	95.2	Very high	16 Å²	16	38.9 Å²	38.9	8%	0.082	21%	0.205	C	C	.	.	S	Bend	trans	-131.8	162.9	173.9	73.9	178.8	0	0	0	110.1	W307 D311 I315 M322 F326 Y329 L343	W307-I313 HydrophobicContact CH2-CB 4.34Å; W307-I313 HydrophobicContact CH2-CD1 4.09Å; W307-I313 HydrophobicContact CH2-CG1 3.72Å; W307-I313 HydrophobicContact CH2-CG2 4.1Å; W307-I313 HydrophobicContact CZ3-CG1 3.89Å; D311-I313 WeakPolarHBondContact CB-O 3.49Å; I313-I315 HydrophobicContact CD1-CD1 4.13Å; I313-I315 HydrophobicContact CG1-CD1 3.81Å; I313-I315 PolarHBondContact O-N 2.9Å; I313-M322 HydrophobicContact CD1-CG 4.22Å; I313-F326 HydrophobicContact CD1-CB 3.78Å; I313-F326 HydrophobicContact CD1-CD2 4.02Å; I313-F326 HydrophobicContact CD1-CG 4.34Å; I313-Y329 HydrophobicContact CG2-CD2 4.08Å; I313-Y329 HydrophobicContact CG2-CG 3.86Å; I313-L343 HydrophobicContact CD1-CD2 4Å
314	P	96.1	Very high	95.3	Very high	92 Å²	92	44.1 Å²	44.1	60%	0.597	23%	0.225	S	C	*	.			trans	-63.9	116.1	167.3	-18.7	32.9	0	0	0	111.2
315	I	95.1	Very high	95.4	Very high	44 Å²	44	46.4 Å²	46.4	23%	0.226	24%	0.237	C	C	.	.			trans	-90.4	130	173.4	-61.1	-60.2	0	0	0	109.2	D263 W307 D311 I313 M322 L343 V347	D263-I315 HydrophobicContact CB-CD1 4.25Å; D263-I315 HydrophobicContact CB-CG1 4.45Å; W307-I315 HydrophobicContact CZ3-CD1 4.13Å; D311-I315 HydrophobicContact CB-CG1 4.05Å; I313-I315 HydrophobicContact CD1-CD1 4.13Å; I313-I315 HydrophobicContact CG1-CD1 3.81Å; I313-I315 PolarHBondContact O-N 2.9Å; I315-M322 HydrophobicContact CB-CE 4.49Å; I315-M322 HydrophobicContact CD1-CE 4.27Å; I315-M322 HydrophobicContact CD1-SD 4.27Å; I315-M322 HydrophobicContact CG2-CE 3.81Å; I315-L343 HydrophobicContact CD1-CD2 4.1Å; I315-V347 HydrophobicContact CG2-CB 4.34Å; I315-V347 HydrophobicContact CG2-CG2 3.51Å
316	G	92.1	Very high	95.4	Very high	31 Å²	31	46.1 Å²	46.1	32%	0.32	24%	0.236	S	C	.	.			trans	-146.2	175.2	-177.7	0	0	0	0	0	113.7	K318 M322	G316-K318 VanDerWaalsContact C-N 3.32Å; G316-M322 WeakPolarHBondContact O-CE 3.4Å
317	V	93.1	Very high	95.4	Very high	55 Å²	55	46.5 Å²	46.5	33%	0.333	24%	0.238	S	C	.	.	S	Bend	trans	-83.6	-6	-178	-60.4	0	0	0	0	113.8	P319 V347 F349 H350	V317-P319 WeakPolarHBondContact O-CD 3.36Å; V317-V347 HydrophobicContact CG1-CG1 3.88Å; V317-F349 CarbonylContact O-C 3.58Å; V317-F349 WeakPolarHBondContact O-CA 3.43Å; V317-H350 HydrophobicContact CB-CB 4.36Å; V317-H350 HydrophobicContact CG2-CB 4.21Å; V317-H350 PolarHBondContact O-N 3.37Å
318	K	94.6	Very high	95.5	Very high	110 Å²	110	51.5 Å²	51.5	48%	0.478	26%	0.26	S	S	.	.			trans	-101	105.4	-179.2	-68.2	175.3	175.8	175.5	0	109.4	G316 L320 E321 M322	G316-K318 VanDerWaalsContact C-N 3.32Å; K318-L320 VanDerWaalsContact C-N 3.32Å; K318-L320 PolarHBondContact O-N 3.06Å; K318-E321 HydrophobicContact CB-CB 4.24Å; K318-E321 HydrophobicContact CB-CG 4.26Å; K318-E321 HydrophobicContact CD-CG 4.26Å; K318-E321 WeakPolarHBondContact CD-OE1 3.28Å; K318-E321 WeakPolarHBondContact CD-OE2 3.3Å; K318-E321 IonicContact NZ-OE1 3.36Å; K318-E321 PolarHBondContact NZ-OE1 3.09Å; K318-E321 IonicContact NZ-OE2 3.91Å; K318-E321 PolarHBondContact O-N 3.43Å; K318-M322 PolarHBondContact O-N 3.45Å
319	P	93.3	Very high	95.5	Very high	4 Å²	4	51.8 Å²	51.8	3%	0.026	26%	0.26	C	S	.	.	H	α-helix	trans	-64.6	-34.7	-170.5	22.5	-32.1	0	0	0	113	V317 M322 L323 F349 Y351 A356 V371	V317-P319 WeakPolarHBondContact O-CD 3.36Å; P319-M322 PolarHBondContact O-N 2.77Å; P319-L323 VanDerWaalsContact O-CB 3.28Å; P319-L323 WeakPolarHBondContact O-CB 3.34Å; P319-L323 PolarHBondContact O-N 3.35Å; P319-F349 HydrophobicContact CB-CD1 4.16Å; P319-F349 HydrophobicContact CB-CD2 3.69Å; P319-F349 HydrophobicContact CB-CE1 4.25Å; P319-F349 HydrophobicContact CB-CE2 3.78Å; P319-F349 HydrophobicContact CB-CG 3.9Å; P319-F349 HydrophobicContact CB-CZ 4.07Å; P319-F349 HydrophobicContact CG-CB 4.17Å; P319-F349 HydrophobicContact CG-CD2 4.05Å; P319-F349 HydrophobicContact CG-CG 4.03Å; P319-Y351 HydrophobicContact CG-CD1 3.83Å; P319-Y351 HydrophobicContact CG-CD2 4.29Å; P319-Y351 HydrophobicContact CG-CG 3.65Å; P319-A356 HydrophobicContact CB-CB 3.9Å; P319-V371 HydrophobicContact CB-CG2 4.07Å
320	L	93.6	Very high	95.7	Very high	22 Å²	22	49.1 Å²	49.1	12%	0.115	25%	0.245	C	C	.	.	H	α-helix	trans	-69.9	-33.6	-179.7	-59.2	-178.3	0	0	0	113.4	K318 R324 A356 D656	K318-L320 VanDerWaalsContact C-N 3.32Å; K318-L320 PolarHBondContact O-N 3.06Å; L320-R324 WeakPolarHBondContact O-CG 3.39Å; L320-R324 PolarHBondContact O-N 2.75Å; L320-A356 HydrophobicContact CD2-CB 4.1Å; L320-D656 HydrophobicContact CD1-CB 4.44Å; L320-D656 VanDerWaalsContact CD1-CG 3.5Å; L320-D656 VanDerWaalsContact CD1-OD2 3.31Å; L320-D656 WeakPolarHBondContact CD1-OD2 3.43Å
321	E	94.8	Very high	95.7	Very high	100 Å²	100	47 Å²	47	47%	0.467	24%	0.237	S	C	.	.	H	α-helix	trans	-68	-45.1	172.3	-69.2	177.1	-165.6	0	0	110	K318 L323 R324 D325	K318-E321 HydrophobicContact CB-CB 4.24Å; K318-E321 HydrophobicContact CB-CG 4.26Å; K318-E321 HydrophobicContact CD-CG 4.26Å; K318-E321 WeakPolarHBondContact CD-OE1 3.28Å; K318-E321 WeakPolarHBondContact CD-OE2 3.3Å; K318-E321 IonicContact NZ-OE1 3.36Å; K318-E321 PolarHBondContact NZ-OE1 3.09Å; K318-E321 IonicContact NZ-OE2 3.91Å; K318-E321 PolarHBondContact O-N 3.43Å; E321-L323 PolarHBondContact O-N 2.69Å; E321-R324 PolarHBondContact O-N 3.28Å; E321-D325 PolarHBondContact O-N 3.05Å; E321-D325 VanDerWaalsContact O-N 3.14Å
322	M	95.6	Very high	95.6	Very high	4 Å²	4	51 Å²	51	2%	0.02	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-42.1	176.2	-172.1	-171.2	-64.7	0	0	112.4	I313 I315 G316 K318 P319 R324 D325 F326 L343 F349 V371	I313-M322 HydrophobicContact CD1-CG 4.22Å; I315-M322 HydrophobicContact CB-CE 4.49Å; I315-M322 HydrophobicContact CD1-CE 4.27Å; I315-M322 HydrophobicContact CD1-SD 4.27Å; I315-M322 HydrophobicContact CG2-CE 3.81Å; G316-M322 WeakPolarHBondContact O-CE 3.4Å; K318-M322 PolarHBondContact O-N 3.45Å; P319-M322 PolarHBondContact O-N 2.77Å; M322-R324 VanDerWaalsContact C-N 3.33Å; M322-R324 PolarHBondContact O-N 3.22Å; M322-D325 PolarHBondContact O-N 2.87Å; M322-F326 VanDerWaalsContact O-CB 3.29Å; M322-F326 WeakPolarHBondContact O-CB 3.44Å; M322-F326 PolarHBondContact O-N 3.34Å; M322-L343 HydrophobicContact CG-CD2 4.14Å; M322-L343 HydrophobicContact SD-CD2 3.7Å; M322-F349 HydrophobicContact CE-CE1 3.84Å; M322-F349 HydrophobicContact SD-CE1 4.18Å; M322-F349 HydrophobicContact SD-CZ 4.32Å; M322-V371 HydrophobicContact CG-CG1 4.09Å; M322-V371 HydrophobicContact SD-CB 4.09Å; M322-V371 HydrophobicContact SD-CG1 4.14Å
323	L	96.4	Very high	95.5	Very high	1 Å²	1	51 Å²	51	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-59.2	-43.3	177.8	-178.4	65.3	0	0	0	111.5	P319 E321 F326 S327 Y358 V369 V371	P319-L323 VanDerWaalsContact O-CB 3.28Å; P319-L323 WeakPolarHBondContact O-CB 3.34Å; P319-L323 PolarHBondContact O-N 3.35Å; E321-L323 PolarHBondContact O-N 2.69Å; L323-F326 PolarHBondContact O-N 3.32Å; L323-S327 WeakPolarHBondContact O-CB 3Å; L323-S327 PolarHBondContact O-N 3.25Å; L323-Y358 HydrophobicContact CD1-CD2 4.27Å; L323-Y358 HydrophobicContact CD1-CE2 4.21Å; L323-Y358 HydrophobicContact CD2-CD1 4.3Å; L323-Y358 HydrophobicContact CD2-CD2 4.14Å; L323-Y358 HydrophobicContact CD2-CE1 4.23Å; L323-Y358 HydrophobicContact CD2-CE2 4.08Å; L323-Y358 HydrophobicContact CD2-CG 4.26Å; L323-Y358 HydrophobicContact CG-CD2 4.13Å; L323-Y358 HydrophobicContact CG-CE2 3.75Å; L323-V369 HydrophobicContact CD1-CG2 3.84Å; L323-V371 HydrophobicContact CB-CG1 4.32Å; L323-V371 HydrophobicContact CB-CG2 4.22Å; L323-V371 HydrophobicContact CD1-CG1 4.17Å
324	R	96.3	Very high	95.3	Very high	109 Å²	109	51 Å²	51	41%	0.411	26%	0.261	S	S	.	.	H	α-helix	trans	-64.1	-43	176.9	-71.4	170.5	-173.4	154.8	10.3	111.9	L320 E321 M322 K328 Y358 D656	L320-R324 WeakPolarHBondContact O-CG 3.39Å; L320-R324 PolarHBondContact O-N 2.75Å; E321-R324 PolarHBondContact O-N 3.28Å; M322-R324 VanDerWaalsContact C-N 3.33Å; M322-R324 PolarHBondContact O-N 3.22Å; R324-K328 WeakPolarHBondContact O-CG 3.19Å; R324-K328 PolarHBondContact O-N 3.29Å; R324-Y358 WeakPolarHBondContact CG-OH 3.16Å; R324-D656 IonicContact NH2-OD2 3.49Å; R324-D656 PolarHBondContact NH2-OD2 3.08Å; R324-D656 VanDerWaalsContact NH2-OD2 3.11Å
325	D	97.3	Very high	95	Very high	48 Å²	48	54.4 Å²	54.4	26%	0.257	27%	0.267	S	S	.	.	H	α-helix	trans	-71.8	-36.2	178.7	-72.5	-20.6	0	0	0	112.1	E321 M322 K328 Y329	E321-D325 PolarHBondContact O-N 3.05Å; E321-D325 VanDerWaalsContact O-N 3.14Å; M322-D325 PolarHBondContact O-N 2.87Å; D325-K328 PolarHBondContact O-N 3.49Å; D325-K328 IonicContact OD1-NZ 3.69Å; D325-K328 PolarHBondContact OD1-NZ 2.91Å; D325-Y329 PolarHBondContact O-N 3.47Å
326	F	97.8	Very high	94.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-67.3	-38	174.6	-170.6	-122.9	0	0	0	112.5	V261 I313 M322 L323 K328 Y329 R330 V341 L343 V369 V371	V261-F326 HydrophobicContact CB-CE2 4.13Å; V261-F326 HydrophobicContact CB-CZ 3.99Å; V261-F326 HydrophobicContact CG1-CE2 4.32Å; V261-F326 HydrophobicContact CG2-CE2 4.06Å; V261-F326 HydrophobicContact CG2-CZ 3.8Å; I313-F326 HydrophobicContact CD1-CB 3.78Å; I313-F326 HydrophobicContact CD1-CD2 4.02Å; I313-F326 HydrophobicContact CD1-CG 4.34Å; M322-F326 VanDerWaalsContact O-CB 3.29Å; M322-F326 WeakPolarHBondContact O-CB 3.44Å; M322-F326 PolarHBondContact O-N 3.34Å; L323-F326 PolarHBondContact O-N 3.32Å; F326-K328 VanDerWaalsContact C-N 3.35Å; F326-K328 PolarHBondContact O-N 3.23Å; F326-Y329 HydrophobicContact CD2-CD1 4.12Å; F326-Y329 HydrophobicContact CE2-CD1 4.01Å; F326-Y329 WeakPolarHBondContact O-CB 3.33Å; F326-Y329 PolarHBondContact O-N 2.99Å; F326-R330 PolarHBondContact O-N 2.63Å; F326-V341 HydrophobicContact CE1-CB 4.44Å; F326-V341 HydrophobicContact CE1-CG1 4.05Å; F326-V341 HydrophobicContact CZ-CG1 3.71Å; F326-L343 HydrophobicContact CD1-CB 3.96Å; F326-L343 HydrophobicContact CD2-CB 4.26Å; F326-L343 HydrophobicContact CD2-CD2 4.14Å; F326-L343 HydrophobicContact CE1-CB 3.7Å; F326-L343 HydrophobicContact CE2-CB 4.02Å; F326-L343 HydrophobicContact CE2-CD1 4.18Å; F326-L343 HydrophobicContact CE2-CG 4.47Å; F326-L343 HydrophobicContact CG-CB 4.22Å; F326-L343 HydrophobicContact CG-CD2 4.26Å; F326-L343 HydrophobicContact CZ-CB 3.73Å; F326-V369 HydrophobicContact CD1-CB 4.16Å; F326-V369 HydrophobicContact CD1-CG1 4.48Å; F326-V369 HydrophobicContact CE1-CB 4.44Å; F326-V371 HydrophobicContact CB-CG1 4.25Å; F326-V371 HydrophobicContact CD1-CG1 4.23Å; F326-V371 HydrophobicContact CG-CG1 4.48Å
327	S	97.1	Very high	94.6	Very high	9 Å²	9	59.5 Å²	59.5	6%	0.063	28%	0.282	C	S	.	.	H	α-helix	trans	-57.7	-44.4	171	172.9	0	0	0	0	112.5	L323 Y329 R330 Q331 S366	L323-S327 WeakPolarHBondContact O-CB 3Å; L323-S327 PolarHBondContact O-N 3.25Å; S327-Y329 VanDerWaalsContact C-N 3.32Å; S327-Y329 PolarHBondContact O-N 3.37Å; S327-R330 PolarHBondContact O-N 3.08Å; S327-Q331 WeakPolarHBondContact O-CG 3.47Å; S327-Q331 PolarHBondContact O-N 2.02Å; S327-Q331 VanDerWaalsContact O-N 3.13Å; S327-Q331 PolarHBondContact O-NE2 2.73Å; S327-Q331 VanDerWaalsContact O-NE2 3.08Å; S327-Q331 PolarHBondContact OG-NE2 3.15Å; S327-Q331 VanDerWaalsContact OG-NE2 3.16Å; S327-S366 WeakPolarHBondContact CB-O 3.37Å; S327-S366 PolarHBondContact OG-O 2.86Å
328	K	97.1	Very high	94.6	Very high	104 Å²	104	57.3 Å²	57.3	45%	0.452	27%	0.271	S	S	.	.	H	α-helix	trans	-63	-42.2	175.7	-65.8	169	-162.7	156.4	0	110.9	R324 D325 F326 Q331 Q332	R324-K328 WeakPolarHBondContact O-CG 3.19Å; R324-K328 PolarHBondContact O-N 3.29Å; D325-K328 PolarHBondContact O-N 3.49Å; D325-K328 IonicContact OD1-NZ 3.69Å; D325-K328 PolarHBondContact OD1-NZ 2.91Å; F326-K328 VanDerWaalsContact C-N 3.35Å; F326-K328 PolarHBondContact O-N 3.23Å; K328-Q331 PolarHBondContact O-N 3.28Å; K328-Q332 WeakPolarHBondContact O-CB 3.29Å; K328-Q332 VanDerWaalsContact O-CG 3.26Å; K328-Q332 WeakPolarHBondContact O-CG 3.04Å; K328-Q332 PolarHBondContact O-N 3.1Å
329	Y	97.1	Very high	94.6	Very high	17 Å²	17	52.2 Å²	52.2	7%	0.067	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-45.2	177	174.7	-96.4	0	0	0	112.2	E305 W307 Q312 I313 D325 F326 S327 Q331 Q332 S333 I334	E305-Y329 PolarHBondContact OE1-OH 3.03Å; W307-Y329 HydrophobicContact CZ2-CD1 4.23Å; W307-Y329 AromaticContact CZ2-CE1 3.87Å; W307-Y329 HydrophobicContact CZ2-CE1 3.87Å; Q312-Y329 HydrophobicContact CB-CD2 3.98Å; Q312-Y329 HydrophobicContact CB-CE2 3.47Å; Q312-Y329 VanDerWaalsContact CB-CE2 3.47Å; Q312-Y329 HydrophobicContact CG-CE2 4.06Å; I313-Y329 HydrophobicContact CG2-CD2 4.08Å; I313-Y329 HydrophobicContact CG2-CG 3.86Å; D325-Y329 PolarHBondContact O-N 3.47Å; F326-Y329 HydrophobicContact CD2-CD1 4.12Å; F326-Y329 HydrophobicContact CE2-CD1 4.01Å; F326-Y329 WeakPolarHBondContact O-CB 3.33Å; F326-Y329 PolarHBondContact O-N 2.99Å; S327-Y329 VanDerWaalsContact C-N 3.32Å; S327-Y329 PolarHBondContact O-N 3.37Å; Y329-Q331 PolarHBondContact O-N 3.27Å; Y329-Q332 PolarHBondContact O-N 2.83Å; Y329-S333 WeakPolarHBondContact CD2-OG 3.19Å; Y329-S333 VanDerWaalsContact CE2-CB 3.45Å; Y329-S333 WeakPolarHBondContact CE2-OG 3.38Å; Y329-S333 WeakPolarHBondContact O-CB 3.48Å; Y329-S333 PolarHBondContact O-N 3.49Å; Y329-I334 HydrophobicContact CD1-CD1 4.11Å; Y329-I334 HydrophobicContact CD1-CG1 4.3Å; Y329-I334 HydrophobicContact CE1-CD1 3.76Å; Y329-I334 HydrophobicContact CE1-CG1 3.76Å
330	R	96.8	Very high	94.8	Very high	10 Å²	10	52 Å²	52	4%	0.038	25%	0.247	C	C	.	.	H	α-helix	trans	-54.9	-49.6	173.9	170.6	58.1	170.7	-178.4	3.6	111.4	F326 S327 Q332 I334 L336 A338 V341 V365 V369	F326-R330 PolarHBondContact O-N 2.63Å; S327-R330 PolarHBondContact O-N 3.08Å; R330-Q332 PolarHBondContact O-N 3.15Å; R330-I334 HydrophobicContact CB-CD1 4.43Å; R330-I334 PolarHBondContact O-N 3.43Å; R330-L336 PolarHBondContact NH1-O 3.1Å; R330-L336 PolarHBondContact NH2-O 3.12Å; R330-A338 PolarHBondContact NH2-O 3.35Å; R330-V341 HydrophobicContact CG-CG2 4.37Å; R330-V365 HydrophobicContact CG-CG1 4.44Å; R330-V365 WeakPolarHBondContact CG-O 3.24Å; R330-V369 HydrophobicContact CB-CG1 3.94Å; R330-V369 HydrophobicContact CG-CG1 3.95Å
331	Q	95.6	Very high	95	Very high	91 Å²	91	51 Å²	51	43%	0.425	24%	0.242	S	C	.	.	H	α-helix	trans	-63.2	-39.5	-179	-70.2	170.7	80.5	0	0	113.1	S327 K328 Y329 V365 S366	S327-Q331 WeakPolarHBondContact O-CG 3.47Å; S327-Q331 PolarHBondContact O-N 2.02Å; S327-Q331 VanDerWaalsContact O-N 3.13Å; S327-Q331 PolarHBondContact O-NE2 2.73Å; S327-Q331 VanDerWaalsContact O-NE2 3.08Å; S327-Q331 PolarHBondContact OG-NE2 3.15Å; S327-Q331 VanDerWaalsContact OG-NE2 3.16Å; K328-Q331 PolarHBondContact O-N 3.28Å; Y329-Q331 PolarHBondContact O-N 3.27Å; Q331-V365 HydrophobicContact CG-CG1 4.09Å; Q331-S366 VanDerWaalsContact CD-CB 3.47Å
332	Q	95.3	Very high	95.2	Very high	138 Å²	138	46.2 Å²	46.2	65%	0.645	22%	0.219	S	C	*	.	H	α-helix	trans	-86.7	-45.1	-172.1	-67.4	171.9	2.3	0	0	112.4	K328 Y329 R330 K335	K328-Q332 WeakPolarHBondContact O-CB 3.29Å; K328-Q332 VanDerWaalsContact O-CG 3.26Å; K328-Q332 WeakPolarHBondContact O-CG 3.04Å; K328-Q332 PolarHBondContact O-N 3.1Å; Y329-Q332 PolarHBondContact O-N 2.83Å; R330-Q332 PolarHBondContact O-N 3.15Å; Q332-K335 WeakPolarHBondContact O-CE 3.43Å; Q332-K335 PolarHBondContact O-NZ 3.45Å
333	S	93.4	Very high	95.3	Very high	65 Å²	65	46 Å²	46	46%	0.455	22%	0.218	S	C	.	.	H	α-helix	trans	-105.4	-35.4	-163.9	-56.7	0	0	0	0	113.9	Y329	Y329-S333 WeakPolarHBondContact CD2-OG 3.19Å; Y329-S333 VanDerWaalsContact CE2-CB 3.45Å; Y329-S333 WeakPolarHBondContact CE2-OG 3.38Å; Y329-S333 WeakPolarHBondContact O-CB 3.48Å; Y329-S333 PolarHBondContact O-N 3.49Å
334	I	93.6	Very high	95.4	Very high	17 Å²	17	46 Å²	46	9%	0.087	22%	0.218	C	C	.	.			trans	-91	118.7	-176.2	-53.2	173.8	0	0	0	109.5	M259 V261 Y329 R330 L336 V341	M259-I334 HydrophobicContact CE-CD1 4.1Å; M259-I334 HydrophobicContact CE-CG1 4.45Å; M259-I334 HydrophobicContact CE-CG2 4.19Å; M259-I334 HydrophobicContact SD-CD1 4.12Å; M259-I334 HydrophobicContact SD-CG2 3.63Å; V261-I334 HydrophobicContact CG2-CD1 4.44Å; Y329-I334 HydrophobicContact CD1-CD1 4.11Å; Y329-I334 HydrophobicContact CD1-CG1 4.3Å; Y329-I334 HydrophobicContact CE1-CD1 3.76Å; Y329-I334 HydrophobicContact CE1-CG1 3.76Å; R330-I334 HydrophobicContact CB-CD1 4.43Å; R330-I334 PolarHBondContact O-N 3.43Å; I334-L336 HydrophobicContact CG2-CB 4.36Å; I334-V341 HydrophobicContact CD1-CG1 3.99Å
335	K	89.4	Confident	95.3	Very high	164 Å²	164	40.8 Å²	40.8	71%	0.713	20%	0.199	S	C	*	.			trans	-103.7	-10.5	178.7	-56.9	-56.7	175.2	-161.2	0	114	Q332	Q332-K335 WeakPolarHBondContact O-CE 3.43Å; Q332-K335 PolarHBondContact O-NZ 3.45Å
336	L	88.9	Confident	95	Very high	60 Å²	60	40.9 Å²	40.9	31%	0.314	20%	0.199	S	C	.	.	S	Bend	trans	-70.6	134.6	178	-171.8	76.3	0	0	0	110.7	I132 V302 A303 R330 I334 A338	I132-L336 HydrophobicContact CD1-CD1 4.1Å; I132-L336 HydrophobicContact CD1-CD2 3.98Å; I132-L336 HydrophobicContact CG1-CD2 4.15Å; V302-L336 HydrophobicContact CG2-CD2 4.13Å; A303-L336 HydrophobicContact CB-CD2 3.25Å; R330-L336 PolarHBondContact NH1-O 3.1Å; R330-L336 PolarHBondContact NH2-O 3.12Å; I334-L336 HydrophobicContact CG2-CB 4.36Å; L336-A338 PolarHBondContact O-N 3.27Å
337	H	89.7	Confident	94.7	Very high	121 Å²	121	42.5 Å²	42.5	56%	0.56	21%	0.209	S	C	*	.			trans	-60.2	129.8	170.1	-170.6	-91.4	0	0	0	110.4	E257 D339	E257-H337 IonicContact OE2-CE1 2.78Å; E257-H337 IonicContact OE2-ND1 3.42Å; E257-H337 PolarHBondContact OE2-ND1 3.15Å; E257-H337 VanDerWaalsContact OE2-ND1 3.1Å; H337-D339 IonicContact CE1-OD1 3.61Å
338	A	93.2	Very high	94.3	Very high	10 Å²	10	46.8 Å²	46.8	8%	0.083	24%	0.235	C	C	.	.			trans	-161.4	140.9	169.5	0	0	0	0	0	107.4	E257 M259 V302 R330 L336 S340 V341	E257-A338 CarbonylContact O-C 3.56Å; M259-A338 HydrophobicContact CB-CB 4.09Å; V302-A338 HydrophobicContact CG2-CB 3.78Å; R330-A338 PolarHBondContact NH2-O 3.35Å; L336-A338 PolarHBondContact O-N 3.27Å; A338-S340 VanDerWaalsContact C-N 3.3Å; A338-V341 HydrophobicContact CB-CG2 4.29Å
339	D	95.5	Very high	94	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.011	22%	0.215	C	C	.	.	S	Bend	trans	-69.6	-33.5	179.2	-57	-29.9	0	0	0	111.4	L256 E257 H337 M362 C363 C446 L447	L256-D339 HydrophobicContact CD1-CB 4.05Å; E257-D339 WeakPolarHBondContact CB-OD2 3.27Å; E257-D339 PolarHBondContact N-OD2 3.1Å; E257-D339 WeakPolarHBondContact O-CB 3Å; E257-D339 PolarHBondContact O-N 2.85Å; H337-D339 IonicContact CE1-OD1 3.61Å; D339-M362 HydrophobicContact CB-SD 3.98Å; D339-C363 PolarHBondContact O-N 3.45Å; D339-C446 WeakPolarHBondContact OD1-CB 3.44Å; D339-C446 PolarHBondContact OD1-SG 3.02Å; D339-L447 HydrophobicContact CB-CD2 4.34Å
340	S	96.9	Very high	93.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	147.9	174.4	-175.8	0	0	0	0	113.1	E257 I258 M259 A338 Q342 G368 N391	E257-S340 PolarHBondContact O-N 3.4Å; I258-S340 VanDerWaalsContact CA-O 3.29Å; I258-S340 WeakPolarHBondContact CA-O 3.15Å; M259-S340 PolarHBondContact N-O 3.14Å; A338-S340 VanDerWaalsContact C-N 3.3Å; S340-Q342 PolarHBondContact OG-NE2 2.84Å; S340-G368 CarbonylContact C-O 3.5Å; S340-G368 VanDerWaalsContact CA-O 3.27Å; S340-G368 WeakPolarHBondContact CA-O 3.07Å; S340-G368 PolarHBondContact OG-O 3.31Å; S340-N391 PolarHBondContact OG-OD1 2.86Å
341	V	98.3	Very high	92.8	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.2	176.5	-170.7	0	0	0	0	111.3	M259 V261 F326 R330 I334 A338 G368 V369 G370	M259-V341 HydrophobicContact CB-CG1 4.12Å; M259-V341 HydrophobicContact CB-CG2 4.06Å; M259-V341 HydrophobicContact CG-CG1 4.13Å; M259-V341 CarbonylContact O-C 3.57Å; M259-V341 WeakPolarHBondContact O-CA 3.37Å; M259-V341 HydrophobicContact SD-CG1 4.43Å; V261-V341 HydrophobicContact CG2-CG1 3.88Å; F326-V341 HydrophobicContact CE1-CB 4.44Å; F326-V341 HydrophobicContact CE1-CG1 4.05Å; F326-V341 HydrophobicContact CZ-CG1 3.71Å; R330-V341 HydrophobicContact CG-CG2 4.37Å; I334-V341 HydrophobicContact CD1-CG1 3.99Å; A338-V341 HydrophobicContact CB-CG2 4.29Å; V341-G368 PolarHBondContact N-O 2.55Å; V341-V369 HydrophobicContact CB-CG1 4.45Å; V341-V369 WeakPolarHBondContact O-CA 3.31Å; V341-G370 PolarHBondContact O-N 2.71Å; V341-G370 VanDerWaalsContact O-N 3.07Å
342	Q	98.3	Very high	92.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	125.2	-171.9	-58.2	-66.6	-38.5	0	0	110.7	M259 I260 V261 S340 G370 N372 L384 S387 L388 N391	M259-Q342 PolarHBondContact O-N 3.22Å; I260-Q342 WeakPolarHBondContact CA-O 3.35Å; I260-Q342 HydrophobicContact CD1-CB 3.77Å; I260-Q342 HydrophobicContact CD1-CG 4.46Å; V261-Q342 PolarHBondContact N-O 2.96Å; S340-Q342 PolarHBondContact OG-NE2 2.84Å; Q342-G370 WeakPolarHBondContact CA-O 3.4Å; Q342-G370 VanDerWaalsContact OE1-CA 3.28Å; Q342-N372 PolarHBondContact OE1-ND2 3.35Å; Q342-L384 HydrophobicContact CB-CD1 3.74Å; Q342-L384 HydrophobicContact CG-CD1 3.71Å; Q342-S387 PolarHBondContact OE1-OG 2.77Å; Q342-L388 HydrophobicContact CG-CD2 3.83Å; Q342-L388 HydrophobicContact CG-CG 4.43Å; Q342-N391 PolarHBondContact NE2-OD1 2.93Å
343	L	98.1	Very high	91.7	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	130.7	173.3	-178	64	0	0	0	109.9	V261 D263 W307 I313 I315 M322 F326 G370 V371 N372	V261-L343 HydrophobicContact CB-CD1 4.03Å; V261-L343 HydrophobicContact CG1-CD1 3.87Å; V261-L343 CarbonylContact O-C 3.6Å; V261-L343 WeakPolarHBondContact O-CA 3.44Å; D263-L343 HydrophobicContact CB-CD1 4.32Å; W307-L343 HydrophobicContact CH2-CD1 4.23Å; W307-L343 HydrophobicContact CZ3-CD1 4.33Å; I313-L343 HydrophobicContact CD1-CD2 4Å; I315-L343 HydrophobicContact CD1-CD2 4.1Å; M322-L343 HydrophobicContact CG-CD2 4.14Å; M322-L343 HydrophobicContact SD-CD2 3.7Å; F326-L343 HydrophobicContact CD1-CB 3.96Å; F326-L343 HydrophobicContact CD2-CB 4.26Å; F326-L343 HydrophobicContact CD2-CD2 4.14Å; F326-L343 HydrophobicContact CE1-CB 3.7Å; F326-L343 HydrophobicContact CE2-CB 4.02Å; F326-L343 HydrophobicContact CE2-CD1 4.18Å; F326-L343 HydrophobicContact CE2-CG 4.47Å; F326-L343 HydrophobicContact CG-CB 4.22Å; F326-L343 HydrophobicContact CG-CD2 4.26Å; F326-L343 HydrophobicContact CZ-CB 3.73Å; L343-G370 PolarHBondContact N-O 3.08Å; L343-V371 HydrophobicContact CB-CB 4.48Å; L343-V371 HydrophobicContact CB-CG1 4.1Å; L343-V371 HydrophobicContact CD2-CG1 4.11Å; L343-N372 WeakPolarHBondContact O-CB 3.06Å; L343-N372 PolarHBondContact O-N 3.16Å; L343-N372 PolarHBondContact O-ND2 3.13Å; L343-N372 VanDerWaalsContact O-ND2 3.07Å
344	L	97	Very high	91.4	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.8	169.1	-49.4	-175	0	0	0	108.1	I260 V261 D263 M266 A280 N372 M380	I260-L344 HydrophobicContact CG2-CD1 3.62Å; I260-L344 HydrophobicContact CG2-CG 3.85Å; V261-L344 PolarHBondContact O-N 3.06Å; D263-L344 PolarHBondContact N-O 3.08Å; D263-L344 VanDerWaalsContact N-O 3.1Å; M266-L344 HydrophobicContact CE-CB 4.41Å; M266-L344 WeakPolarHBondContact CG-O 3.43Å; A280-L344 HydrophobicContact CB-CD1 4.28Å; L344-N372 HydrophobicContact CD2-CB 3.99Å; L344-M380 HydrophobicContact CD2-CE 3.67Å
345	S	94.8	Very high	91.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.8	-178.1	-178.8	0	0	0	0	111.8	D263 V347 N372 E373 Y374	D263-S345 WeakPolarHBondContact OD2-CA 3.45Å; D263-S345 WeakPolarHBondContact OD2-CB 2.95Å; D263-S345 PolarHBondContact OD2-OG 2.89Å; S345-V347 PolarHBondContact O-N 3.23Å; S345-V347 PolarHBondContact OG-N 3.01Å; S345-N372 PolarHBondContact N-O 2.87Å; S345-E373 CarbonylContact O-C 3.58Å; S345-Y374 VanDerWaalsContact O-CB 3.24Å; S345-Y374 WeakPolarHBondContact O-CB 2.88Å; S345-Y374 PolarHBondContact O-N 3.36Å
346	N	91.9	Very high	91.5	Very high	50 Å²	50	42.2 Å²	42.2	27%	0.267	20%	0.199	S	C	.	.	S	Bend	trans	-82.8	21	176.3	-175	58.2	0	0	0	113.4	S265 M266 R269 Y374	S265-N346 WeakPolarHBondContact OG-CB 3.32Å; S265-N346 PolarHBondContact OG-N 2.84Å; M266-N346 HydrophobicContact CG-CB 4.06Å; M266-N346 HydrophobicContact SD-CB 3.72Å; R269-N346 WeakPolarHBondContact CD-OD1 3.3Å; N346-Y374 WeakPolarHBondContact OD1-CD1 3.2Å
347	V	90.6	Very high	91.8	Very high	33 Å²	33	39.5 Å²	39.5	20%	0.2	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-95.4	140.2	173.4	175.7	0	0	0	0	110	I315 V317 S345 E373	I315-V347 HydrophobicContact CG2-CB 4.34Å; I315-V347 HydrophobicContact CG2-CG2 3.51Å; V317-V347 HydrophobicContact CG1-CG1 3.88Å; S345-V347 PolarHBondContact O-N 3.23Å; S345-V347 PolarHBondContact OG-N 3.01Å; V347-E373 WeakPolarHBondContact O-CB 3.17Å
348	T	89.5	Confident	92.1	Very high	99 Å²	99	35.3 Å²	35.3	61%	0.607	17%	0.165	S	C	*	.	P	Polyproline II helix	trans	-86.6	129.9	172	-53.4	0	0	0	0	109.9
349	F	91.2	Very high	92.1	Very high	10 Å²	10	35.6 Å²	35.6	4%	0.044	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-79.6	140.4	-178.2	-64.4	-28.3	0	0	0	112.1	V317 P319 M322 Y351 V371 E373	V317-F349 CarbonylContact O-C 3.58Å; V317-F349 WeakPolarHBondContact O-CA 3.43Å; P319-F349 HydrophobicContact CB-CD1 4.16Å; P319-F349 HydrophobicContact CB-CD2 3.69Å; P319-F349 HydrophobicContact CB-CE1 4.25Å; P319-F349 HydrophobicContact CB-CE2 3.78Å; P319-F349 HydrophobicContact CB-CG 3.9Å; P319-F349 HydrophobicContact CB-CZ 4.07Å; P319-F349 HydrophobicContact CG-CB 4.17Å; P319-F349 HydrophobicContact CG-CD2 4.05Å; P319-F349 HydrophobicContact CG-CG 4.03Å; M322-F349 HydrophobicContact CE-CE1 3.84Å; M322-F349 HydrophobicContact SD-CE1 4.18Å; M322-F349 HydrophobicContact SD-CZ 4.32Å; F349-Y351 PolarHBondContact O-N 2.77Å; F349-V371 HydrophobicContact CE2-CG2 4.32Å; F349-V371 HydrophobicContact CZ-CB 4.36Å; F349-V371 HydrophobicContact CZ-CG2 4.08Å; F349-E373 HydrophobicContact CD1-CB 4.48Å; F349-E373 HydrophobicContact CD2-CB 3.75Å; F349-E373 HydrophobicContact CE2-CB 3.81Å; F349-E373 HydrophobicContact CG-CB 4.1Å; F349-E373 HydrophobicContact CZ-CB 4.2Å; F349-E373 PolarHBondContact N-OE2 3.13Å
350	H	87.1	Confident	91.9	Very high	151 Å²	151	36.9 Å²	36.9	70%	0.699	18%	0.178	S	C	*	.	S	Bend	trans	-83.4	55.3	166.5	-72.5	-164	0	0	0	109.3	V317	V317-H350 HydrophobicContact CB-CB 4.36Å; V317-H350 HydrophobicContact CG2-CB 4.21Å; V317-H350 PolarHBondContact O-N 3.37Å
351	Y	81.5	Confident	91.6	Very high	80 Å²	80	37 Å²	37	31%	0.314	18%	0.179	S	C	.	.	S	Bend	trans	-144.6	157.3	-174.2	-166.5	-117.2	0	0	0	108.6	P319 F349 R353 D654	P319-Y351 HydrophobicContact CG-CD1 3.83Å; P319-Y351 HydrophobicContact CG-CD2 4.29Å; P319-Y351 HydrophobicContact CG-CG 3.65Å; F349-Y351 PolarHBondContact O-N 2.77Å; Y351-R353 HydrophobicContact CD1-CB 3.83Å; Y351-R353 HydrophobicContact CE1-CB 3.86Å; Y351-R353 HydrophobicContact CE1-CG 4.27Å; Y351-R353 PolarHBondContact O-N 3.34Å; Y351-R353 PolarHBondContact OH-NH1 2.89Å; Y351-D654 PolarHBondContact OH-O 3.03Å
352	R	80.8	Confident	91.4	Very high	224 Å²	224	37.5 Å²	37.5	85%	0.845	18%	0.181	S	C	*	.	S	Bend	trans	-69.4	-15.1	-177.8	-72.6	-173.9	176.1	178.5	-0.6	113.3
353	R	85.7	Confident	91	Very high	27 Å²	27	39.5 Å²	39.5	10%	0.102	20%	0.195	C	C	.	.	S	Bend	trans	-126.2	149.6	-171.8	-64.3	156.3	174	166.8	-6.4	110.7	Y351 S355 W396 D654	Y351-R353 HydrophobicContact CD1-CB 3.83Å; Y351-R353 HydrophobicContact CE1-CB 3.86Å; Y351-R353 HydrophobicContact CE1-CG 4.27Å; Y351-R353 PolarHBondContact O-N 3.34Å; Y351-R353 PolarHBondContact OH-NH1 2.89Å; R353-S355 VanDerWaalsContact C-N 3.28Å; R353-S355 PolarHBondContact O-N 3.46Å; R353-W396 HydrophobicContact CB-CH2 4.14Å; R353-W396 HydrophobicContact CB-CZ2 4.09Å; R353-W396 VanDerWaalsContact CD-CE2 3.46Å; R353-W396 HydrophobicContact CG-CH2 3.82Å; R353-W396 HydrophobicContact CG-CZ2 3.75Å; R353-W396 HydrophobicContact CG-CZ3 4.32Å; R353-D654 IonicContact CZ-OD1 2.77Å; R353-D654 VanDerWaalsContact CZ-OD1 3.25Å; R353-D654 IonicContact NH1-OD1 2.81Å; R353-D654 PolarHBondContact NH1-OD1 3.33Å; R353-D654 IonicContact NH1-OD2 3.05Å; R353-D654 IonicContact NH2-OD1 2.85Å; R353-D654 PolarHBondContact NH2-OD1 3.26Å; R353-D654 IonicContact NH2-OD2 3.35Å
354	S	88.6	Confident	90.7	Very high	15 Å²	15	41.3 Å²	41.3	11%	0.105	21%	0.208	C	C	.	.	S	Bend	trans	-82.6	-4.2	-177.7	-59.4	0	0	0	0	113.8	E373 S383 T419	S354-E373 WeakPolarHBondContact CA-OE1 3.19Å; S354-E373 WeakPolarHBondContact CB-OE1 3.48Å; S354-E373 WeakPolarHBondContact O-CG 3.4Å; S354-E373 PolarHBondContact O-N 2Å; S354-E373 PolarHBondContact OG-OE1 3.06Å; S354-S383 WeakPolarHBondContact CB-OG 3.45Å; S354-T419 PolarHBondContact OG-OG1 2.73Å
355	S	91.1	Very high	90.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	157.5	175.8	60.7	0	0	0	0	111.8	R353 V371 N372 S383	R353-S355 VanDerWaalsContact C-N 3.28Å; R353-S355 PolarHBondContact O-N 3.46Å; S355-V371 VanDerWaalsContact CA-O 3.3Å; S355-V371 WeakPolarHBondContact CA-O 3.41Å; S355-N372 WeakPolarHBondContact CB-OD1 3.41Å; S355-S383 WeakPolarHBondContact CB-O 3.47Å; S355-S383 PolarHBondContact OG-O 3.38Å
356	A	93	Very high	90.3	Very high	4 Å²	4	47.4 Å²	47.4	3%	0.033	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	130.8	169.1	0	0	0	0	0	109.9	P319 L320 G370 V371	P319-A356 HydrophobicContact CB-CB 3.9Å; L320-A356 HydrophobicContact CD2-CB 4.1Å; A356-G370 CarbonylContact O-C 3.46Å; A356-G370 WeakPolarHBondContact O-CA 3.36Å; A356-V371 HydrophobicContact CB-CG2 4.14Å; A356-V371 PolarHBondContact N-O 3.43Å; A356-V371 PolarHBondContact O-N 3.07Å
357	A	95.8	Very high	90.3	Very high	2 Å²	2	49.2 Å²	49.2	2%	0.017	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	157.7	176.6	0	0	0	0	0	109.7	F359 V369 S387 Q390 N391	A357-F359 PolarHBondContact O-N 3.24Å; A357-V369 WeakPolarHBondContact CA-O 2.98Å; A357-V369 WeakPolarHBondContact CB-O 3.39Å; A357-S387 VanDerWaalsContact CB-O 3.25Å; A357-S387 WeakPolarHBondContact CB-O 3.16Å; A357-S387 WeakPolarHBondContact CB-OG 3.45Å; A357-Q390 HydrophobicContact CB-CB 4.03Å; A357-Q390 PolarHBondContact O-OE1 3.11Å; A357-N391 WeakPolarHBondContact CB-ND2 3.26Å
358	Y	95.3	Very high	90.6	Very high	33 Å²	33	47.7 Å²	47.7	13%	0.129	24%	0.24	C	C	.	.			trans	-69.6	130.3	173	-69.1	-73.2	0	0	0	110.4	L323 R324 G360 G361 R367 V369 N391 D655	L323-Y358 HydrophobicContact CD1-CD2 4.27Å; L323-Y358 HydrophobicContact CD1-CE2 4.21Å; L323-Y358 HydrophobicContact CD2-CD1 4.3Å; L323-Y358 HydrophobicContact CD2-CD2 4.14Å; L323-Y358 HydrophobicContact CD2-CE1 4.23Å; L323-Y358 HydrophobicContact CD2-CE2 4.08Å; L323-Y358 HydrophobicContact CD2-CG 4.26Å; L323-Y358 HydrophobicContact CG-CD2 4.13Å; L323-Y358 HydrophobicContact CG-CE2 3.75Å; R324-Y358 WeakPolarHBondContact CG-OH 3.16Å; Y358-G360 PolarHBondContact O-N 3.39Å; Y358-G361 PolarHBondContact O-N 2.84Å; Y358-R367 WeakPolarHBondContact CB-O 3.33Å; Y358-R367 HydrophobicContact CD2-CB 4.31Å; Y358-R367 HydrophobicContact CG-CB 4.24Å; Y358-R367 HydrophobicContact CG-CG 4.44Å; Y358-V369 HydrophobicContact CD2-CG2 3.54Å; Y358-V369 HydrophobicContact CE2-CG2 3.66Å; Y358-V369 PolarHBondContact N-O 2.97Å; Y358-N391 WeakPolarHBondContact O-CA 3.39Å; Y358-N391 PolarHBondContact O-ND2 2.91Å; Y358-D655 WeakPolarHBondContact CA-OD2 3.41Å; Y358-D655 HydrophobicContact CD1-CB 3.98Å; Y358-D655 WeakPolarHBondContact CD1-OD2 3.38Å
359	F	92.8	Very high	91	Very high	17 Å²	17	43 Å²	43	8%	0.075	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	132.5	-179	-170.3	-86.7	0	0	0	110.3	A357 G361 R367 Q390 G393 Q395 I625 L653 D655	A357-F359 PolarHBondContact O-N 3.24Å; F359-G361 PolarHBondContact O-N 3.04Å; F359-G361 VanDerWaalsContact O-N 3.1Å; F359-R367 PolarHBondContact O-NH2 3.17Å; F359-Q390 CarbonylContact C-O 3.47Å; F359-Q390 WeakPolarHBondContact CA-O 3.04Å; F359-G393 WeakPolarHBondContact CZ-O 3.11Å; F359-Q395 HydrophobicContact CE2-CB 4.35Å; F359-Q395 HydrophobicContact CE2-CG 3.5Å; F359-Q395 HydrophobicContact CZ-CG 3.6Å; F359-I625 HydrophobicContact CE1-CD1 3.93Å; F359-I625 HydrophobicContact CZ-CD1 3.87Å; F359-L653 HydrophobicContact CB-CD1 3.84Å; F359-L653 HydrophobicContact CD1-CD1 3.82Å; F359-L653 HydrophobicContact CG-CD1 3.91Å; F359-D655 PolarHBondContact N-OD2 3.41Å
360	G	91.6	Very high	91.3	Very high	29 Å²	29	42.5 Å²	42.5	30%	0.299	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	21.3	-178.6	0	0	0	0	0	113.6	Y358 M362 Q390 N391	Y358-G360 PolarHBondContact O-N 3.39Å; G360-M362 VanDerWaalsContact C-N 3.29Å; G360-M362 PolarHBondContact O-N 3.28Å; G360-Q390 PolarHBondContact N-O 3.26Å; G360-N391 CarbonylContact C-O 3.56Å; G360-N391 WeakPolarHBondContact CA-O 3.49Å
361	G	91.3	Very high	91.7	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.01	18%	0.176	C	C	.	.			trans	-78.4	-3.7	-174	0	0	0	0	0	115.4	Y358 F359 S364 R367 G368 N391	Y358-G361 PolarHBondContact O-N 2.84Å; F359-G361 PolarHBondContact O-N 3.04Å; F359-G361 VanDerWaalsContact O-N 3.1Å; G361-S364 WeakPolarHBondContact O-CB 3.46Å; G361-S364 PolarHBondContact O-N 2.01Å; G361-S364 VanDerWaalsContact O-N 3.15Å; G361-R367 CarbonylContact O-C 3.54Å; G361-R367 VanDerWaalsContact O-C 3.29Å; G361-G368 WeakPolarHBondContact O-CA 3.44Å; G361-G368 PolarHBondContact O-N 3.41Å; G361-N391 PolarHBondContact N-O 2.69Å; G361-N391 VanDerWaalsContact N-O 3.13Å
362	M	94	Very high	92.4	Very high	11 Å²	11	31.5 Å²	31.5	5%	0.054	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	145.8	-177.2	-161.6	57.4	73.1	0	0	112.4	L256 D339 G360 S364 N391 L392 F438 L447	L256-M362 HydrophobicContact CD1-CE 3.33Å; L256-M362 HydrophobicContact CD1-CG 4.34Å; L256-M362 HydrophobicContact CD1-SD 3.26Å; L256-M362 WeakPolarHBondContact CD1-SD 3.37Å; L256-M362 HydrophobicContact CD2-CE 4.14Å; L256-M362 HydrophobicContact CG-CE 4.39Å; D339-M362 HydrophobicContact CB-SD 3.98Å; G360-M362 VanDerWaalsContact C-N 3.29Å; G360-M362 PolarHBondContact O-N 3.28Å; M362-S364 PolarHBondContact O-N 3.49Å; M362-S364 VanDerWaalsContact O-N 3.12Å; M362-N391 WeakPolarHBondContact CB-O 3.28Å; M362-N391 HydrophobicContact CE-CB 3.57Å; M362-N391 PolarHBondContact N-O 3.47Å; M362-L392 HydrophobicContact CB-CD2 4.26Å; M362-L392 HydrophobicContact CE-CD2 3.53Å; M362-L392 HydrophobicContact CE-CG 3.68Å; M362-L392 HydrophobicContact CG-CD2 3.91Å; M362-F438 HydrophobicContact CB-CE1 4.48Å; M362-F438 HydrophobicContact CB-CZ 4.05Å; M362-L447 HydrophobicContact CG-CD1 4.28Å; M362-L447 HydrophobicContact CG-CD2 3.94Å; M362-L447 HydrophobicContact CG-CG 4.35Å; M362-L447 HydrophobicContact SD-CD2 4.38Å
363	C	90.4	Very high	92.9	Very high	42 Å²	42	22.4 Å²	22.4	28%	0.284	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	-4.9	-177.1	-44.3	0	0	0	0	115.4	D339 C446	D339-C363 PolarHBondContact O-N 3.45Å; C363-C446 WeakPolarHBondContact CA-SG 3.47Å; C363-C446 HydrophobicContact CB-CB 3.65Å; C363-C446 WeakPolarHBondContact CB-SG 3.41Å; C363-C446 WeakPolarHBondContact SG-CB 3.24Å; C363-C446 PolarHBondContact SG-N 2.84Å; C363-C446 CovalentContact SG-SG 2.02Å; C363-C446 PolarHBondContact SG-SG 2.81Å
364	S	90.8	Very high	92.7	Very high	39 Å²	39	23.6 Å²	23.6	27%	0.273	13%	0.133	S	C	.	.			trans	-91.6	133	178	-179.2	0	0	0	0	111.4	G361 M362 S366 R367 G368	G361-S364 WeakPolarHBondContact O-CB 3.46Å; G361-S364 PolarHBondContact O-N 2.01Å; G361-S364 VanDerWaalsContact O-N 3.15Å; M362-S364 PolarHBondContact O-N 3.49Å; M362-S364 VanDerWaalsContact O-N 3.12Å; S364-S366 VanDerWaalsContact C-N 3.29Å; S364-S366 PolarHBondContact O-N 2.89Å; S364-S366 PolarHBondContact OG-N 3.39Å; S364-S366 PolarHBondContact OG-OG 3.38Å; S364-R367 PolarHBondContact OG-N 3.31Å; S364-R367 VanDerWaalsContact OG-N 3.1Å; S364-G368 WeakPolarHBondContact O-CA 3.42Å; S364-G368 PolarHBondContact O-N 3.25Å
365	V	91.1	Very high	92.4	Very high	87 Å²	87	23.6 Å²	23.6	53%	0.527	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-35.2	174.1	-179.4	0	0	0	0	111.9	R330 Q331	R330-V365 HydrophobicContact CG-CG1 4.44Å; R330-V365 WeakPolarHBondContact CG-O 3.24Å; Q331-V365 HydrophobicContact CG-CG1 4.09Å
366	S	91.5	Very high	91.9	Very high	41 Å²	41	26.5 Å²	26.5	29%	0.287	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-31.8	-178.4	58.5	0	0	0	0	113.1	S327 Q331 S364	S327-S366 WeakPolarHBondContact CB-O 3.37Å; S327-S366 PolarHBondContact OG-O 2.86Å; Q331-S366 VanDerWaalsContact CD-CB 3.47Å; S364-S366 VanDerWaalsContact C-N 3.29Å; S364-S366 PolarHBondContact O-N 2.89Å; S364-S366 PolarHBondContact OG-N 3.39Å; S364-S366 PolarHBondContact OG-OG 3.38Å
367	R	93.5	Very high	91.4	Very high	89 Å²	89	26.5 Å²	26.5	34%	0.336	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-17.3	-176.3	-59	-179.1	65.8	121.9	7	114.1	Y358 F359 G361 S364 V369 D655 T657	Y358-R367 WeakPolarHBondContact CB-O 3.33Å; Y358-R367 HydrophobicContact CD2-CB 4.31Å; Y358-R367 HydrophobicContact CG-CB 4.24Å; Y358-R367 HydrophobicContact CG-CG 4.44Å; F359-R367 PolarHBondContact O-NH2 3.17Å; G361-R367 CarbonylContact O-C 3.54Å; G361-R367 VanDerWaalsContact O-C 3.29Å; S364-R367 PolarHBondContact OG-N 3.31Å; S364-R367 VanDerWaalsContact OG-N 3.1Å; R367-V369 PolarHBondContact O-N 2.62Å; R367-D655 IonicContact NH2-OD2 3.54Å; R367-D655 PolarHBondContact NH2-OD2 2.9Å; R367-T657 PolarHBondContact NH2-OG1 3.42Å
368	G	96	Very high	90.8	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.01	16%	0.156	C	C	.	.	S	Bend	trans	-75.3	55.8	176.7	0	0	0	0	0	110.9	S340 V341 G361 S364	S340-G368 CarbonylContact C-O 3.5Å; S340-G368 VanDerWaalsContact CA-O 3.27Å; S340-G368 WeakPolarHBondContact CA-O 3.07Å; S340-G368 PolarHBondContact OG-O 3.31Å; V341-G368 PolarHBondContact N-O 2.55Å; G361-G368 WeakPolarHBondContact O-CA 3.44Å; G361-G368 PolarHBondContact O-N 3.41Å; S364-G368 WeakPolarHBondContact O-CA 3.42Å; S364-G368 PolarHBondContact O-N 3.25Å
369	V	97.4	Very high	90.3	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	151.4	-177.6	-61.7	0	0	0	0	111.2	L323 F326 R330 V341 A357 Y358 R367 N391	L323-V369 HydrophobicContact CD1-CG2 3.84Å; F326-V369 HydrophobicContact CD1-CB 4.16Å; F326-V369 HydrophobicContact CD1-CG1 4.48Å; F326-V369 HydrophobicContact CE1-CB 4.44Å; R330-V369 HydrophobicContact CB-CG1 3.94Å; R330-V369 HydrophobicContact CG-CG1 3.95Å; V341-V369 HydrophobicContact CB-CG1 4.45Å; V341-V369 WeakPolarHBondContact O-CA 3.31Å; A357-V369 WeakPolarHBondContact CA-O 2.98Å; A357-V369 WeakPolarHBondContact CB-O 3.39Å; Y358-V369 HydrophobicContact CD2-CG2 3.54Å; Y358-V369 HydrophobicContact CE2-CG2 3.66Å; Y358-V369 PolarHBondContact N-O 2.97Å; R367-V369 PolarHBondContact O-N 2.62Å; V369-N391 PolarHBondContact O-ND2 3.22Å
370	G	97.3	Very high	90.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	157	172.5	0	0	0	0	0	112.7	V341 Q342 L343 A356	V341-G370 PolarHBondContact O-N 2.71Å; V341-G370 VanDerWaalsContact O-N 3.07Å; Q342-G370 WeakPolarHBondContact CA-O 3.4Å; Q342-G370 VanDerWaalsContact OE1-CA 3.28Å; L343-G370 PolarHBondContact N-O 3.08Å; A356-G370 CarbonylContact O-C 3.46Å; A356-G370 WeakPolarHBondContact O-CA 3.36Å
371	V	97	Very high	90.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136	178.7	-58	0	0	0	0	109.7	P319 M322 L323 F326 L343 F349 S355 A356	P319-V371 HydrophobicContact CB-CG2 4.07Å; M322-V371 HydrophobicContact CG-CG1 4.09Å; M322-V371 HydrophobicContact SD-CB 4.09Å; M322-V371 HydrophobicContact SD-CG1 4.14Å; L323-V371 HydrophobicContact CB-CG1 4.32Å; L323-V371 HydrophobicContact CB-CG2 4.22Å; L323-V371 HydrophobicContact CD1-CG1 4.17Å; F326-V371 HydrophobicContact CB-CG1 4.25Å; F326-V371 HydrophobicContact CD1-CG1 4.23Å; F326-V371 HydrophobicContact CG-CG1 4.48Å; L343-V371 HydrophobicContact CB-CB 4.48Å; L343-V371 HydrophobicContact CB-CG1 4.1Å; L343-V371 HydrophobicContact CD2-CG1 4.11Å; F349-V371 HydrophobicContact CE2-CG2 4.32Å; F349-V371 HydrophobicContact CZ-CB 4.36Å; F349-V371 HydrophobicContact CZ-CG2 4.08Å; S355-V371 VanDerWaalsContact CA-O 3.3Å; S355-V371 WeakPolarHBondContact CA-O 3.41Å; A356-V371 HydrophobicContact CB-CG2 4.14Å; A356-V371 PolarHBondContact N-O 3.43Å; A356-V371 PolarHBondContact O-N 3.07Å
372	N	95.4	Very high	90	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	127.7	-170.7	-53.9	-89.9	0	0	0	110	Q342 L343 L344 S345 S355 M380 S383 S387	Q342-N372 PolarHBondContact OE1-ND2 3.35Å; L343-N372 WeakPolarHBondContact O-CB 3.06Å; L343-N372 PolarHBondContact O-N 3.16Å; L343-N372 PolarHBondContact O-ND2 3.13Å; L343-N372 VanDerWaalsContact O-ND2 3.07Å; L344-N372 HydrophobicContact CD2-CB 3.99Å; S345-N372 PolarHBondContact N-O 2.87Å; S355-N372 WeakPolarHBondContact CB-OD1 3.41Å; N372-M380 HydrophobicContact CB-CE 3.78Å; N372-S383 PolarHBondContact OD1-O 2.98Å; N372-S383 VanDerWaalsContact OD1-O 3.13Å; N372-S387 WeakPolarHBondContact OD1-CB 3.16Å
373	E	91.3	Very high	89.9	Confident	33 Å²	33	24.8 Å²	24.8	15%	0.154	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	144.5	172.4	85.9	-176.9	174.4	0	0	110.3	S345 V347 F349 S354	S345-E373 CarbonylContact O-C 3.58Å; V347-E373 WeakPolarHBondContact O-CB 3.17Å; F349-E373 HydrophobicContact CD1-CB 4.48Å; F349-E373 HydrophobicContact CD2-CB 3.75Å; F349-E373 HydrophobicContact CE2-CB 3.81Å; F349-E373 HydrophobicContact CG-CB 4.1Å; F349-E373 HydrophobicContact CZ-CB 4.2Å; F349-E373 PolarHBondContact N-OE2 3.13Å; S354-E373 WeakPolarHBondContact CA-OE1 3.19Å; S354-E373 WeakPolarHBondContact CB-OE1 3.48Å; S354-E373 WeakPolarHBondContact O-CG 3.4Å; S354-E373 PolarHBondContact O-N 2Å; S354-E373 PolarHBondContact OG-OE1 3.06Å
374	Y	82.5	Confident	90.1	Very high	51 Å²	51	22.8 Å²	22.8	20%	0.2	13%	0.129	C	C	.	.			trans	-68.3	140	177.8	175.9	-96.8	0	0	0	112.2	M266 R269 H270 F279 S345 N346	M266-Y374 HydrophobicContact CE-CD2 3.57Å; M266-Y374 HydrophobicContact CE-CE2 4.03Å; M266-Y374 HydrophobicContact SD-CD2 3.31Å; M266-Y374 WeakPolarHBondContact SD-CD2 3.12Å; M266-Y374 HydrophobicContact SD-CE2 4.1Å; M266-Y374 HydrophobicContact SD-CG 3.82Å; R269-Y374 VanDerWaalsContact CZ-CE1 3.49Å; R269-Y374 PolarHBondContact NE-OH 3.47Å; R269-Y374 VanDerWaalsContact NE-OH 3.1Å; H270-Y374 AromaticContact CE1-CE2 3.93Å; F279-Y374 HydrophobicContact CE1-CD2 4.38Å; F279-Y374 HydrophobicContact CE1-CE2 4.12Å; F279-Y374 HydrophobicContact CZ-CD2 4.36Å; F279-Y374 AromaticContact CZ-CE2 3.85Å; F279-Y374 HydrophobicContact CZ-CE2 3.85Å; S345-Y374 VanDerWaalsContact O-CB 3.24Å; S345-Y374 WeakPolarHBondContact O-CB 2.88Å; S345-Y374 PolarHBondContact O-N 3.36Å; N346-Y374 WeakPolarHBondContact OD1-CD1 3.2Å
375	G	80.6	Confident	90.3	Very high	15 Å²	15	21 Å²	21	16%	0.155	12%	0.116	C	C	.	.			trans	-145.9	-162.1	161.3	0	0	0	0	0	111.8
376	T	81.7	Confident	90.5	Very high	62 Å²	62	16.8 Å²	16.8	38%	0.38	9%	0.091	S	C	.	.			trans	-58.2	166.7	168.9	65.4	0	0	0	0	111.1	S378 S379 M380	T376-S378 PolarHBondContact O-N 2.84Å; T376-S379 WeakPolarHBondContact O-CB 3.07Å; T376-S379 PolarHBondContact O-N 2.86Å; T376-S379 PolarHBondContact OG1-N 3.44Å; T376-S379 PolarHBondContact OG1-OG 3.13Å; T376-S379 VanDerWaalsContact OG1-OG 3.1Å; T376-M380 PolarHBondContact O-N 3.04Å
377	T	83.3	Confident	90.7	Very high	4 Å²	4	14.9 Å²	14.9	3%	0.025	8%	0.078	C	C	.	.	H	α-helix	trans	-48.3	-45.8	175.1	-46.7	0	0	0	0	112	H173 E186 V283 L286 M380 F381	H173-T377 VanDerWaalsContact CE1-CG2 3.46Å; H173-T377 WeakPolarHBondContact CE1-CG2 3.37Å; H173-T377 PolarHBondContact CE1-OG1 3.01Å; H173-T377 PolarHBondContact NE2-OG1 3.12Å; E186-T377 PolarHBondContact OE1-OG1 2.88Å; V283-T377 HydrophobicContact CG2-CG2 4.43Å; L286-T377 HydrophobicContact CD1-CG2 3.8Å; T377-M380 PolarHBondContact O-N 3.04Å; T377-F381 WeakPolarHBondContact O-CB 3.47Å; T377-F381 PolarHBondContact O-N 3.47Å
378	S	81.3	Confident	90.9	Very high	10 Å²	10	10.6 Å²	10.6	7%	0.07	6%	0.062	C	C	.	.	H	α-helix	trans	-66.1	-41.3	176.7	-54	0	0	0	0	113	T376 M380 F381 V382 H423	T376-S378 PolarHBondContact O-N 2.84Å; S378-M380 VanDerWaalsContact C-N 3.33Å; S378-M380 PolarHBondContact O-N 2.79Å; S378-F381 PolarHBondContact O-N 2.72Å; S378-V382 WeakPolarHBondContact O-CG2 3.22Å; S378-V382 PolarHBondContact O-N 3.5Å; S378-V382 VanDerWaalsContact O-N 3.15Å; S378-H423 PolarHBondContact O-CD2 3.3Å
379	S	85.4	Confident	90.9	Very high	34 Å²	34	10.6 Å²	10.6	24%	0.238	6%	0.061	C	C	.	.	H	α-helix	trans	-61.6	-45	175.7	-59.2	0	0	0	0	110.9	T376 V382 S383 H423	T376-S379 WeakPolarHBondContact O-CB 3.07Å; T376-S379 PolarHBondContact O-N 2.86Å; T376-S379 PolarHBondContact OG1-N 3.44Å; T376-S379 PolarHBondContact OG1-OG 3.13Å; T376-S379 VanDerWaalsContact OG1-OG 3.1Å; S379-V382 PolarHBondContact O-N 3.13Å; S379-S383 PolarHBondContact O-N 3.25Å; S379-S383 PolarHBondContact O-OG 3.06Å; S379-S383 VanDerWaalsContact O-OG 3.11Å; S379-H423 VanDerWaalsContact CA-CD2 3.41Å; S379-H423 WeakPolarHBondContact CA-CD2 3.35Å; S379-H423 WeakPolarHBondContact CA-NE2 3.25Å; S379-H423 PolarHBondContact N-CD2 3.18Å; S379-H423 PolarHBondContact N-NE2 3.09Å; S379-H423 PolarHBondContact OG-NE2 3.25Å
380	M	89.3	Confident	90.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-67.2	-38.3	-179.7	-84.3	-53	-27.6	0	0	112.9	F279 V283 L344 N372 T376 T377 S378 V382 S383 L384	F279-M380 HydrophobicContact CE1-CG 4Å; F279-M380 HydrophobicContact CZ-CB 4.11Å; F279-M380 HydrophobicContact CZ-CG 3.7Å; V283-M380 HydrophobicContact CG1-CB 4.06Å; V283-M380 HydrophobicContact CG2-CB 3.81Å; L344-M380 HydrophobicContact CD2-CE 3.67Å; N372-M380 HydrophobicContact CB-CE 3.78Å; T376-M380 PolarHBondContact O-N 3.04Å; T377-M380 PolarHBondContact O-N 3.04Å; S378-M380 VanDerWaalsContact C-N 3.33Å; S378-M380 PolarHBondContact O-N 2.79Å; M380-V382 VanDerWaalsContact C-N 3.31Å; M380-V382 PolarHBondContact O-N 2.77Å; M380-S383 PolarHBondContact O-N 2.81Å; M380-L384 VanDerWaalsContact O-CB 3.26Å; M380-L384 WeakPolarHBondContact O-CB 3.46Å; M380-L384 PolarHBondContact O-N 3.25Å
381	F	90.2	Very high	90.7	Very high	9 Å²	9	10.8 Å²	10.8	4%	0.039	6%	0.062	C	C	.	.	H	α-helix	trans	-54.7	-47.9	171.6	157.8	-104.6	0	0	0	111.4	L286 V287 I290 T377 S378 S385 Q425	L286-F381 HydrophobicContact CB-CB 4.29Å; L286-F381 HydrophobicContact CB-CD2 3.44Å; L286-F381 VanDerWaalsContact CB-CD2 3.44Å; L286-F381 HydrophobicContact CB-CE2 4.05Å; L286-F381 HydrophobicContact CB-CG 4.07Å; L286-F381 HydrophobicContact CD1-CB 4.07Å; L286-F381 HydrophobicContact CD1-CG 4.47Å; L286-F381 WeakPolarHBondContact O-CE2 3.46Å; V287-F381 HydrophobicContact CG2-CD2 3.81Å; V287-F381 HydrophobicContact CG2-CE2 4.35Å; I290-F381 HydrophobicContact CB-CE2 4.2Å; I290-F381 HydrophobicContact CB-CZ 4.14Å; I290-F381 HydrophobicContact CG2-CE2 3.66Å; I290-F381 HydrophobicContact CG2-CZ 3.87Å; T377-F381 WeakPolarHBondContact O-CB 3.47Å; T377-F381 PolarHBondContact O-N 3.47Å; S378-F381 PolarHBondContact O-N 2.72Å; F381-S385 VanDerWaalsContact O-CB 3.29Å; F381-S385 WeakPolarHBondContact O-CB 3.25Å; F381-S385 PolarHBondContact O-N 3.4Å; F381-S385 PolarHBondContact O-OG 3.46Å; F381-Q425 HydrophobicContact CE1-CG 4.44Å
382	V	89.2	Confident	90.6	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.006	6%	0.062	C	C	.	.	H	α-helix	trans	-66.1	-50.5	178.4	176.7	0	0	0	0	111.1	S378 S379 M380 L384 S385 Q386 T419 H423 P424	S378-V382 WeakPolarHBondContact O-CG2 3.22Å; S378-V382 PolarHBondContact O-N 3.5Å; S378-V382 VanDerWaalsContact O-N 3.15Å; S379-V382 PolarHBondContact O-N 3.13Å; M380-V382 VanDerWaalsContact C-N 3.31Å; M380-V382 PolarHBondContact O-N 2.77Å; V382-L384 PolarHBondContact O-N 3.13Å; V382-S385 WeakPolarHBondContact O-CB 3.49Å; V382-S385 PolarHBondContact O-N 2.89Å; V382-Q386 HydrophobicContact CG1-CG 4.29Å; V382-Q386 VanDerWaalsContact O-CG 3.31Å; V382-Q386 WeakPolarHBondContact O-CG 3.26Å; V382-Q386 PolarHBondContact O-N 3.4Å; V382-T419 HydrophobicContact CG1-CG2 3.89Å; V382-H423 HydrophobicContact CG2-CB 3.97Å; V382-P424 HydrophobicContact CG1-CG 4.07Å; V382-P424 HydrophobicContact CG2-CG 4.26Å
383	S	92.3	Very high	90.5	Very high	2 Å²	2	11 Å²	11	1%	0.014	7%	0.065	C	C	.	.	H	α-helix	trans	-58	-45.7	-178.8	-60.4	0	0	0	0	112.4	S354 S355 N372 S379 M380 Q386 S387	S354-S383 WeakPolarHBondContact CB-OG 3.45Å; S355-S383 WeakPolarHBondContact CB-O 3.47Å; S355-S383 PolarHBondContact OG-O 3.38Å; N372-S383 PolarHBondContact OD1-O 2.98Å; N372-S383 VanDerWaalsContact OD1-O 3.13Å; S379-S383 PolarHBondContact O-N 3.25Å; S379-S383 PolarHBondContact O-OG 3.06Å; S379-S383 VanDerWaalsContact O-OG 3.11Å; M380-S383 PolarHBondContact O-N 2.81Å; S383-Q386 PolarHBondContact O-N 2.69Å; S383-S387 WeakPolarHBondContact O-CB 3.37Å; S383-S387 PolarHBondContact O-N 3.18Å
384	L	95.5	Very high	90.6	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-67	-41.1	178.9	-176.9	61.3	0	0	0	111.4	I260 V283 V284 V287 Q342 M380 V382 Q386 S387 L388	I260-L384 HydrophobicContact CD1-CD1 4.27Å; I260-L384 HydrophobicContact CD1-CD2 4.28Å; V283-L384 HydrophobicContact CG1-CB 4.33Å; V283-L384 HydrophobicContact CG1-CD2 3.81Å; V284-L384 HydrophobicContact CG2-CD2 4.13Å; V287-L384 HydrophobicContact CG2-CB 4.2Å; V287-L384 HydrophobicContact CG2-CD2 3.96Å; V287-L384 HydrophobicContact CG2-CG 4.15Å; Q342-L384 HydrophobicContact CB-CD1 3.74Å; Q342-L384 HydrophobicContact CG-CD1 3.71Å; M380-L384 VanDerWaalsContact O-CB 3.26Å; M380-L384 WeakPolarHBondContact O-CB 3.46Å; M380-L384 PolarHBondContact O-N 3.25Å; V382-L384 PolarHBondContact O-N 3.13Å; L384-Q386 VanDerWaalsContact C-N 3.34Å; L384-Q386 PolarHBondContact O-N 3.36Å; L384-S387 PolarHBondContact O-N 3.03Å; L384-L388 HydrophobicContact CD1-CD1 4.33Å; L384-L388 HydrophobicContact CD1-CG 4.35Å; L384-L388 HydrophobicContact CG-CD1 4.2Å; L384-L388 WeakPolarHBondContact O-CG 3.29Å; L384-L388 PolarHBondContact O-N 2.8Å
385	S	95.3	Very high	90.9	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-59.3	-45.8	174.9	-61.6	0	0	0	0	111.3	F381 V382 A389	F381-S385 VanDerWaalsContact O-CB 3.29Å; F381-S385 WeakPolarHBondContact O-CB 3.25Å; F381-S385 PolarHBondContact O-N 3.4Å; F381-S385 PolarHBondContact O-OG 3.46Å; V382-S385 WeakPolarHBondContact O-CB 3.49Å; V382-S385 PolarHBondContact O-N 2.89Å; S385-A389 WeakPolarHBondContact O-CB 3.27Å; S385-A389 PolarHBondContact O-N 2.75Å
386	Q	94.1	Very high	91.2	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-61.9	-43.1	176.6	-73.1	168.1	-17.4	0	0	112.2	V382 S383 L384 A389 Q390 W396 I415 M416 E417	V382-Q386 HydrophobicContact CG1-CG 4.29Å; V382-Q386 VanDerWaalsContact O-CG 3.31Å; V382-Q386 WeakPolarHBondContact O-CG 3.26Å; V382-Q386 PolarHBondContact O-N 3.4Å; S383-Q386 PolarHBondContact O-N 2.69Å; L384-Q386 VanDerWaalsContact C-N 3.34Å; L384-Q386 PolarHBondContact O-N 3.36Å; Q386-A389 PolarHBondContact O-N 3.1Å; Q386-Q390 WeakPolarHBondContact O-CG 2.95Å; Q386-Q390 PolarHBondContact O-N 3.25Å; Q386-W396 HydrophobicContact CB-CH2 4.12Å; Q386-W396 HydrophobicContact CG-CH2 3.93Å; Q386-W396 HydrophobicContact CG-CZ3 4.21Å; Q386-I415 HydrophobicContact CG-CG2 3.93Å; Q386-I415 WeakPolarHBondContact CG-O 3.26Å; Q386-I415 PolarHBondContact NE2-O 3.43Å; Q386-M416 HydrophobicContact CB-SD 4.37Å; Q386-M416 HydrophobicContact CG-SD 4.17Å; Q386-E417 PolarHBondContact NE2-O 2.84Å
387	S	95.7	Very high	91.2	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-63.5	-46.6	179.6	-169.3	0	0	0	0	111.9	Q342 A357 N372 S383 L384 Q390 N391	Q342-S387 PolarHBondContact OE1-OG 2.77Å; A357-S387 VanDerWaalsContact CB-O 3.25Å; A357-S387 WeakPolarHBondContact CB-O 3.16Å; A357-S387 WeakPolarHBondContact CB-OG 3.45Å; N372-S387 WeakPolarHBondContact OD1-CB 3.16Å; S383-S387 WeakPolarHBondContact O-CB 3.37Å; S383-S387 PolarHBondContact O-N 3.18Å; L384-S387 PolarHBondContact O-N 3.03Å; S387-Q390 PolarHBondContact O-N 3.37Å; S387-N391 PolarHBondContact O-N 3.03Å; S387-N391 VanDerWaalsContact O-N 3.17Å
388	L	97.6	Very high	90.7	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-67.4	-39.2	176	-68.6	173.1	0	0	0	111.8	L256 I258 V287 F291 V299 Q342 L384 Q390 N391 L392	L256-L388 HydrophobicContact CD2-CB 4.46Å; L256-L388 HydrophobicContact CD2-CD1 4.24Å; L256-L388 HydrophobicContact CD2-CD2 4.23Å; I258-L388 HydrophobicContact CD1-CD1 4.41Å; I258-L388 HydrophobicContact CG2-CD2 3.96Å; V287-L388 HydrophobicContact CG1-CD1 4.02Å; F291-L388 HydrophobicContact CE1-CB 4.08Å; F291-L388 HydrophobicContact CZ-CB 3.85Å; V299-L388 HydrophobicContact CG1-CD1 4.5Å; Q342-L388 HydrophobicContact CG-CD2 3.83Å; Q342-L388 HydrophobicContact CG-CG 4.43Å; L384-L388 HydrophobicContact CD1-CD1 4.33Å; L384-L388 HydrophobicContact CD1-CG 4.35Å; L384-L388 HydrophobicContact CG-CD1 4.2Å; L384-L388 WeakPolarHBondContact O-CG 3.29Å; L384-L388 PolarHBondContact O-N 2.8Å; L388-Q390 VanDerWaalsContact C-N 3.33Å; L388-Q390 PolarHBondContact O-N 2.94Å; L388-N391 WeakPolarHBondContact O-CB 3.46Å; L388-N391 PolarHBondContact O-N 2.75Å; L388-N391 VanDerWaalsContact O-N 3.16Å; L388-L392 WeakPolarHBondContact O-CG 3.44Å; L388-L392 PolarHBondContact O-N 3.35Å
389	A	96	Very high	90.2	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-59.3	-42.5	175	0	0	0	0	0	112	S385 Q386 N391 L392 G393 I394 M416 F427	S385-A389 WeakPolarHBondContact O-CB 3.27Å; S385-A389 PolarHBondContact O-N 2.75Å; Q386-A389 PolarHBondContact O-N 3.1Å; A389-N391 PolarHBondContact O-N 3.44Å; A389-L392 CarbonylContact O-C 3.43Å; A389-L392 WeakPolarHBondContact O-CA 2.89Å; A389-L392 WeakPolarHBondContact O-CB 3.14Å; A389-L392 PolarHBondContact O-N 2.81Å; A389-L392 VanDerWaalsContact O-N 3.07Å; A389-G393 PolarHBondContact O-N 2.87Å; A389-I394 HydrophobicContact CB-CB 4.03Å; A389-I394 HydrophobicContact CB-CD1 3.91Å; A389-I394 HydrophobicContact CB-CG1 4.38Å; A389-I394 HydrophobicContact CB-CG2 4.5Å; A389-I394 VanDerWaalsContact O-CB 3.27Å; A389-I394 WeakPolarHBondContact O-CB 2.97Å; A389-I394 WeakPolarHBondContact O-CG1 3.34Å; A389-I394 PolarHBondContact O-N 3.01Å; A389-M416 HydrophobicContact CB-CE 4.19Å; A389-M416 HydrophobicContact CB-SD 3.5Å; A389-M416 WeakPolarHBondContact CB-SD 3.21Å; A389-F427 HydrophobicContact CB-CE1 3.79Å; A389-F427 HydrophobicContact CB-CZ 4.16Å
390	Q	94.8	Very high	89.4	Confident	4 Å²	4	15.1 Å²	15.1	2%	0.019	11%	0.107	C	C	.	.	H	α-helix	trans	-61	-44	173	-75.3	175.1	4.6	0	0	112.2	A357 F359 G360 Q386 S387 L388 L392 G393 M416	A357-Q390 HydrophobicContact CB-CB 4.03Å; A357-Q390 PolarHBondContact O-OE1 3.11Å; F359-Q390 CarbonylContact C-O 3.47Å; F359-Q390 WeakPolarHBondContact CA-O 3.04Å; G360-Q390 PolarHBondContact N-O 3.26Å; Q386-Q390 WeakPolarHBondContact O-CG 2.95Å; Q386-Q390 PolarHBondContact O-N 3.25Å; S387-Q390 PolarHBondContact O-N 3.37Å; L388-Q390 VanDerWaalsContact C-N 3.33Å; L388-Q390 PolarHBondContact O-N 2.94Å; Q390-L392 PolarHBondContact O-N 3.15Å; Q390-G393 PolarHBondContact O-N 3.43Å; Q390-M416 HydrophobicContact CG-CE 4.21Å
391	N	96.4	Very high	88.4	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.9	-32.2	173.9	-71.3	161.9	0	0	0	111.9	S340 Q342 A357 Y358 G360 G361 M362 V369 S387 L388 A389 G393	S340-N391 PolarHBondContact OG-OD1 2.86Å; Q342-N391 PolarHBondContact NE2-OD1 2.93Å; A357-N391 WeakPolarHBondContact CB-ND2 3.26Å; Y358-N391 WeakPolarHBondContact O-CA 3.39Å; Y358-N391 PolarHBondContact O-ND2 2.91Å; G360-N391 CarbonylContact C-O 3.56Å; G360-N391 WeakPolarHBondContact CA-O 3.49Å; G361-N391 PolarHBondContact N-O 2.69Å; G361-N391 VanDerWaalsContact N-O 3.13Å; M362-N391 WeakPolarHBondContact CB-O 3.28Å; M362-N391 HydrophobicContact CE-CB 3.57Å; M362-N391 PolarHBondContact N-O 3.47Å; V369-N391 PolarHBondContact O-ND2 3.22Å; S387-N391 PolarHBondContact O-N 3.03Å; S387-N391 VanDerWaalsContact O-N 3.17Å; L388-N391 WeakPolarHBondContact O-CB 3.46Å; L388-N391 PolarHBondContact O-N 2.75Å; L388-N391 VanDerWaalsContact O-N 3.16Å; A389-N391 PolarHBondContact O-N 3.44Å; N391-G393 PolarHBondContact O-N 3.37Å
392	L	95.9	Very high	87.5	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	10.9	174.2	-66.3	175.4	0	0	0	114.2	F291 M362 L388 A389 Q390 I394 Y435 F438 L447	F291-L392 HydrophobicContact CD1-CD1 4.37Å; F291-L392 HydrophobicContact CE1-CD1 3.76Å; M362-L392 HydrophobicContact CB-CD2 4.26Å; M362-L392 HydrophobicContact CE-CD2 3.53Å; M362-L392 HydrophobicContact CE-CG 3.68Å; M362-L392 HydrophobicContact CG-CD2 3.91Å; L388-L392 WeakPolarHBondContact O-CG 3.44Å; L388-L392 PolarHBondContact O-N 3.35Å; A389-L392 CarbonylContact O-C 3.43Å; A389-L392 WeakPolarHBondContact O-CA 2.89Å; A389-L392 WeakPolarHBondContact O-CB 3.14Å; A389-L392 PolarHBondContact O-N 2.81Å; A389-L392 VanDerWaalsContact O-N 3.07Å; Q390-L392 PolarHBondContact O-N 3.15Å; L392-I394 VanDerWaalsContact C-N 3.34Å; L392-I394 HydrophobicContact CB-CG1 4.42Å; L392-I394 PolarHBondContact O-N 3.48Å; L392-Y435 HydrophobicContact CB-CD2 4.09Å; L392-Y435 HydrophobicContact CB-CE2 4.34Å; L392-Y435 HydrophobicContact CD1-CD2 4.43Å; L392-Y435 HydrophobicContact CD1-CE2 4.17Å; L392-Y435 HydrophobicContact CD2-CE2 4.12Å; L392-Y435 HydrophobicContact CG-CE2 4.45Å; L392-F438 HydrophobicContact CD2-CE1 4.33Å; L392-F438 WeakPolarHBondContact O-CB 3.26Å; L392-F438 WeakPolarHBondContact O-CD1 3.48Å; L392-F438 WeakPolarHBondContact O-CG 3.41Å; L392-L447 HydrophobicContact CD2-CD1 3.64Å
393	G	92.5	Very high	86.8	Confident	5 Å²	5	31.5 Å²	31.5	5%	0.052	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	18.4	176.2	0	0	0	0	0	114.6	F359 A389 Q390 N391	F359-G393 WeakPolarHBondContact CZ-O 3.11Å; A389-G393 PolarHBondContact O-N 2.87Å; Q390-G393 PolarHBondContact O-N 3.43Å; N391-G393 PolarHBondContact O-N 3.37Å
394	I	92.9	Very high	86.1	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-87.7	127.9	177	-53.9	179.9	0	0	0	109.6	L295 A389 L392 M416 F427 D434	L295-I394 HydrophobicContact CD1-CD1 4.25Å; A389-I394 HydrophobicContact CB-CB 4.03Å; A389-I394 HydrophobicContact CB-CD1 3.91Å; A389-I394 HydrophobicContact CB-CG1 4.38Å; A389-I394 HydrophobicContact CB-CG2 4.5Å; A389-I394 VanDerWaalsContact O-CB 3.27Å; A389-I394 WeakPolarHBondContact O-CB 2.97Å; A389-I394 WeakPolarHBondContact O-CG1 3.34Å; A389-I394 PolarHBondContact O-N 3.01Å; L392-I394 VanDerWaalsContact C-N 3.34Å; L392-I394 HydrophobicContact CB-CG1 4.42Å; L392-I394 PolarHBondContact O-N 3.48Å; I394-M416 HydrophobicContact CG2-CE 4.21Å; I394-M416 HydrophobicContact CG2-CG 3.74Å; I394-M416 HydrophobicContact CG2-SD 4.32Å; I394-M416 WeakPolarHBondContact O-CE 3.09Å; I394-F427 HydrophobicContact CD1-CE1 4.32Å; I394-D434 HydrophobicContact CG2-CB 4.43Å
395	Q	88.6	Confident	85.4	Confident	31 Å²	31	38.3 Å²	38.3	15%	0.145	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-86.9	164.8	179.3	-61.5	173.3	50.9	0	0	112	F359 M416 D434 I625	F359-Q395 HydrophobicContact CE2-CB 4.35Å; F359-Q395 HydrophobicContact CE2-CG 3.5Å; F359-Q395 HydrophobicContact CZ-CG 3.6Å; Q395-M416 WeakPolarHBondContact O-CB 3.3Å; Q395-M416 WeakPolarHBondContact O-CE 3.12Å; Q395-D434 WeakPolarHBondContact CB-OD2 3.33Å; Q395-D434 PolarHBondContact N-OD2 3.18Å; Q395-I625 VanDerWaalsContact CD-CG1 3.4Å; Q395-I625 HydrophobicContact CG-CD1 4.14Å; Q395-I625 HydrophobicContact CG-CG1 4.23Å; Q395-I625 VanDerWaalsContact NE2-CD1 3.31Å
396	W	86.9	Confident	84.4	Confident	21 Å²	21	40.4 Å²	40.4	8%	0.08	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-66.7	136.8	165.4	-63.5	81.4	0	0	0	110.2	R353 Q386 P398 M416 E417 D654	R353-W396 HydrophobicContact CB-CH2 4.14Å; R353-W396 HydrophobicContact CB-CZ2 4.09Å; R353-W396 VanDerWaalsContact CD-CE2 3.46Å; R353-W396 HydrophobicContact CG-CH2 3.82Å; R353-W396 HydrophobicContact CG-CZ2 3.75Å; R353-W396 HydrophobicContact CG-CZ3 4.32Å; Q386-W396 HydrophobicContact CB-CH2 4.12Å; Q386-W396 HydrophobicContact CG-CH2 3.93Å; Q386-W396 HydrophobicContact CG-CZ3 4.21Å; W396-P398 VanDerWaalsContact O-CD 3.22Å; W396-P398 WeakPolarHBondContact O-CD 3.43Å; W396-P398 VanDerWaalsContact O-N 3.12Å; W396-M416 CarbonylContact C-O 3.56Å; W396-M416 VanDerWaalsContact CA-O 3.27Å; W396-M416 WeakPolarHBondContact CA-O 3.48Å; W396-M416 HydrophobicContact CD2-CE 4.48Å; W396-M416 VanDerWaalsContact CE3-O 3.22Å; W396-E417 WeakPolarHBondContact CZ3-O 3.33Å; W396-D654 PolarHBondContact NE1-OD2 3.34Å
397	D	81.4	Confident	83.2	Confident	7 Å²	7	40.5 Å²	40.5	4%	0.037	23%	0.229	C	C	.	.			trans	-63.9	113	177.5	-70.9	-44.2	0	0	0	109.1	A399 C414 M416 E417 S428	D397-A399 PolarHBondContact O-N 3.32Å; D397-C414 WeakPolarHBondContact OD2-CB 3.27Å; D397-M416 PolarHBondContact N-O 3.38Å; D397-E417 HydrophobicContact CB-CG 4.06Å; D397-S428 VanDerWaalsContact CG-OG 3.32Å; D397-S428 WeakPolarHBondContact OD1-CB 3.26Å; D397-S428 PolarHBondContact OD1-OG 3.03Å; D397-S428 VanDerWaalsContact OD2-CB 3.31Å; D397-S428 WeakPolarHBondContact OD2-CB 3.36Å; D397-S428 PolarHBondContact OD2-OG 3.22Å
398	P	73.9	Confident	81.4	Confident	65 Å²	65	43.2 Å²	43.2	42%	0.422	25%	0.252	S	S	.	.			trans	-67.1	134.6	-175.7	24	-29.1	0	0	0	109.3	W396 A400 K401 R402	W396-P398 VanDerWaalsContact O-CD 3.22Å; W396-P398 WeakPolarHBondContact O-CD 3.43Å; W396-P398 VanDerWaalsContact O-N 3.12Å; P398-A400 PolarHBondContact O-N 2.6Å; P398-K401 HydrophobicContact CG-CB 3.98Å; P398-K401 HydrophobicContact CG-CD 4.03Å; P398-K401 HydrophobicContact CG-CG 3.99Å; P398-K401 PolarHBondContact O-N 2.72Å; P398-R402 PolarHBondContact O-N 3.16Å
399	A	70.3	Confident	79.3	Confident	73 Å²	73	48.7 Å²	48.7	60%	0.603	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-51.9	-33.7	-176.5	0	0	0	0	0	113.2	D397 K401	D397-A399 PolarHBondContact O-N 3.32Å; A399-K401 VanDerWaalsContact C-N 3.35Å; A399-K401 PolarHBondContact O-N 3.44Å
400	A	68	Low	77.3	Confident	99 Å²	99	49.6 Å²	49.6	82%	0.818	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-68.2	-27.1	178.2	0	0	0	0	0	114.3	P398	P398-A400 PolarHBondContact O-N 2.6Å
401	K	69.7	Low	75.3	Confident	96 Å²	96	58 Å²	58	42%	0.417	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-106.3	6.2	-177.2	-57.4	-170.9	172.9	-173.1	0	114.1	P398 A399 K403 E404 C405	P398-K401 HydrophobicContact CG-CB 3.98Å; P398-K401 HydrophobicContact CG-CD 4.03Å; P398-K401 HydrophobicContact CG-CG 3.99Å; P398-K401 PolarHBondContact O-N 2.72Å; A399-K401 VanDerWaalsContact C-N 3.35Å; A399-K401 PolarHBondContact O-N 3.44Å; K401-K403 PolarHBondContact O-N 3.08Å; K401-E404 PolarHBondContact O-N 3.33Å; K401-C405 PolarHBondContact O-N 3.46Å; K401-C405 PolarHBondContact O-SG 3.31Å
402	R	71.5	Confident	73.5	Confident	84 Å²	84	58.6 Å²	58.6	32%	0.317	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-34.1	-178.3	-72.6	-178.5	178.9	173.6	2.5	114.1	P398 G406 C407 A408 E417	P398-R402 PolarHBondContact O-N 3.16Å; R402-G406 PolarHBondContact O-N 3.24Å; R402-C407 PolarHBondContact O-N 3.39Å; R402-A408 PolarHBondContact O-N 3.49Å; R402-E417 WeakPolarHBondContact CD-OE1 3.06Å; R402-E417 VanDerWaalsContact CG-OE1 3.28Å; R402-E417 WeakPolarHBondContact CG-OE1 2.99Å; R402-E417 IonicContact NE-OE1 3.4Å; R402-E417 PolarHBondContact NE-OE1 2.89Å
403	K	73.3	Confident	72.5	Confident	173 Å²	173	59 Å²	59	75%	0.752	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-42.8	177.4	-167.1	179.7	-179.8	-176	0	112.4	K401 G406 A408	K401-K403 PolarHBondContact O-N 3.08Å; K403-G406 PolarHBondContact O-N 3.13Å; K403-A408 HydrophobicContact CB-CB 4.04Å; K403-A408 HydrophobicContact CG-CB 4.33Å
404	E	78.4	Confident	72.1	Confident	147 Å²	147	59.1 Å²	59.1	69%	0.687	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-41.1	178.1	-65	170	-177.2	0	0	110.9	K401 G406	K401-E404 PolarHBondContact O-N 3.33Å; E404-G406 PolarHBondContact O-N 3.43Å; E404-G406 VanDerWaalsContact O-N 3.14Å
405	C	79.3	Confident	71.9	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-5.6	176.4	-59	0	0	0	0	113.9	K401 K429 C430	K401-C405 PolarHBondContact O-N 3.46Å; K401-C405 PolarHBondContact O-SG 3.31Å; C405-K429 PolarHBondContact O-N 3.13Å; C405-C430 WeakPolarHBondContact CA-SG 3.45Å; C405-C430 HydrophobicContact CB-CB 3.78Å; C405-C430 WeakPolarHBondContact CB-SG 3.09Å; C405-C430 WeakPolarHBondContact SG-CB 3.23Å; C405-C430 CovalentContact SG-SG 2.04Å; C405-C430 PolarHBondContact SG-SG 3.41Å
406	G	74.6	Confident	71.9	Confident	43 Å²	43	57.6 Å²	57.6	44%	0.443	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	9.7	178.4	0	0	0	0	0	115.3	R402 K403 E404	R402-G406 PolarHBondContact O-N 3.24Å; K403-G406 PolarHBondContact O-N 3.13Å; E404-G406 PolarHBondContact O-N 3.43Å; E404-G406 VanDerWaalsContact O-N 3.14Å
407	C	70.2	Confident	71.7	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.014	32%	0.322	C	S	.	.			trans	-85.7	-26.1	-178.3	-62.2	0	0	0	0	113.7	R402 N409 S410 C414 E417 S428	R402-C407 PolarHBondContact O-N 3.39Å; C407-N409 PolarHBondContact O-N 2.84Å; C407-N409 VanDerWaalsContact O-N 3.13Å; C407-S410 WeakPolarHBondContact O-CB 3.46Å; C407-S410 PolarHBondContact O-N 3.31Å; C407-C414 WeakPolarHBondContact CA-SG 3.32Å; C407-C414 HydrophobicContact CB-CB 3.96Å; C407-C414 WeakPolarHBondContact CB-SG 3.43Å; C407-C414 WeakPolarHBondContact SG-CB 3.46Å; C407-C414 CovalentContact SG-SG 2.03Å; C407-C414 PolarHBondContact SG-SG 3.13Å; C407-E417 WeakPolarHBondContact CB-OE1 3.47Å; C407-S428 WeakPolarHBondContact SG-CB 3.2Å
408	A	56.3	Low	71.2	Confident	58 Å²	58	61.5 Å²	61.5	48%	0.479	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-18.6	-174.1	0	0	0	0	0	115	R402 K403	R402-A408 PolarHBondContact O-N 3.49Å; K403-A408 HydrophobicContact CB-CB 4.04Å; K403-A408 HydrophobicContact CG-CB 4.33Å
409	N	54.1	Low	70.6	Confident	115 Å²	115	60.6 Å²	60.6	62%	0.615	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	4	178	-65.6	-12.6	0	0	0	112.7	C407	C407-N409 PolarHBondContact O-N 2.84Å; C407-N409 VanDerWaalsContact O-N 3.13Å
410	S	54.4	Low	70.2	Confident	19 Å²	19	59.6 Å²	59.6	13%	0.133	33%	0.332	C	S	.	.			trans	-101.2	118.1	178.3	173.4	0	0	0	0	110.1	I209 C407 S412 G413	I209-S410 WeakPolarHBondContact CD1-OG 3.48Å; C407-S410 WeakPolarHBondContact O-CB 3.46Å; C407-S410 PolarHBondContact O-N 3.31Å; S410-S412 PolarHBondContact O-N 3Å; S410-S412 PolarHBondContact OG-N 3.11Å; S410-G413 PolarHBondContact O-N 3.01Å; S410-G413 PolarHBondContact OG-N 3.35Å; S410-G413 VanDerWaalsContact OG-N 3.11Å; S410-G413 PolarHBondContact OG-O 2.86Å; S410-G413 VanDerWaalsContact OG-O 3.06Å
411	W	52.3	Low	69.6	Low	179 Å²	179	61.2 Å²	61.2	68%	0.678	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-23.5	175.3	-167.4	3.7	0	0	0	112.2	H59 A207	H59-W411 HydrophobicContact CB-CH2 4.3Å; H59-W411 HydrophobicContact CB-CZ2 4.11Å; A207-W411 HydrophobicContact CB-CE3 3.91Å; A207-W411 HydrophobicContact CB-CZ3 4.47Å
412	S	59.4	Low	69.2	Low	13 Å²	13	59.8 Å²	59.8	9%	0.091	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-0.1	179.6	33.4	0	0	0	0	114.5	I209 S410 P424	I209-S412 WeakPolarHBondContact CD1-OG 3.42Å; I209-S412 WeakPolarHBondContact CG1-OG 3.28Å; S410-S412 PolarHBondContact O-N 3Å; S410-S412 PolarHBondContact OG-N 3.11Å; S412-P424 WeakPolarHBondContact O-CA 3.5Å; S412-P424 WeakPolarHBondContact O-CB 3.28Å
413	G	74.2	Confident	69	Low	10 Å²	10	58.4 Å²	58.4	10%	0.103	32%	0.323	C	S	.	.			trans	74.4	-168.8	-179.5	0	0	0	0	0	114.3	S410 E417	S410-G413 PolarHBondContact O-N 3.01Å; S410-G413 PolarHBondContact OG-N 3.35Å; S410-G413 VanDerWaalsContact OG-N 3.11Å; S410-G413 PolarHBondContact OG-O 2.86Å; S410-G413 VanDerWaalsContact OG-O 3.06Å; G413-E417 WeakPolarHBondContact CA-OE2 3.43Å
414	C	85.2	Confident	68.9	Low	6 Å²	6	50.5 Å²	50.5	4%	0.041	29%	0.289	C	S	.	.			trans	-114.2	155.2	172.8	-71.6	0	0	0	0	111.4	D397 C407 M416 E417 P424 R426	D397-C414 WeakPolarHBondContact OD2-CB 3.27Å; C407-C414 WeakPolarHBondContact CA-SG 3.32Å; C407-C414 HydrophobicContact CB-CB 3.96Å; C407-C414 WeakPolarHBondContact CB-SG 3.43Å; C407-C414 WeakPolarHBondContact SG-CB 3.46Å; C407-C414 CovalentContact SG-SG 2.03Å; C407-C414 PolarHBondContact SG-SG 3.13Å; C414-M416 PolarHBondContact O-N 3.35Å; C414-M416 VanDerWaalsContact O-N 3.15Å; C414-E417 HydrophobicContact CB-CG 4.13Å; C414-E417 PolarHBondContact N-OE2 2.97Å; C414-E417 WeakPolarHBondContact O-CB 3.17Å; C414-E417 PolarHBondContact O-N 3.01Å; C414-P424 WeakPolarHBondContact O-CB 3.29Å; C414-P424 VanDerWaalsContact O-CG 3.31Å; C414-P424 WeakPolarHBondContact O-CG 3.08Å; C414-R426 CarbonylContact C-O 3.54Å; C414-R426 WeakPolarHBondContact CA-O 3.43Å
415	I	88.5	Confident	68.7	Low	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-38.4	-176.7	-71.6	169.9	0	0	0	110.8	I290 Q386 E417 P424 R426 F427	I290-I415 HydrophobicContact CG1-CD1 3.91Å; I290-I415 HydrophobicContact CG2-CD1 4.36Å; Q386-I415 HydrophobicContact CG-CG2 3.93Å; Q386-I415 WeakPolarHBondContact CG-O 3.26Å; Q386-I415 PolarHBondContact NE2-O 3.43Å; I415-E417 VanDerWaalsContact C-N 3.29Å; I415-E417 PolarHBondContact O-N 3.17Å; I415-P424 HydrophobicContact CG1-CB 4.43Å; I415-P424 HydrophobicContact CG1-CG 4.49Å; I415-R426 WeakPolarHBondContact CG1-O 3.41Å; I415-R426 PolarHBondContact N-O 2.61Å; I415-F427 HydrophobicContact CB-CD1 4.12Å; I415-F427 HydrophobicContact CB-CE1 4.03Å; I415-F427 HydrophobicContact CB-CZ 4.47Å; I415-F427 HydrophobicContact CD1-CD1 4.47Å; I415-F427 HydrophobicContact CD1-CD2 3.95Å; I415-F427 HydrophobicContact CD1-CE1 4.33Å; I415-F427 HydrophobicContact CD1-CE2 3.8Å; I415-F427 HydrophobicContact CD1-CG 4.29Å; I415-F427 HydrophobicContact CD1-CZ 4.01Å; I415-F427 HydrophobicContact CG2-CD1 4.3Å; I415-F427 HydrophobicContact CG2-CE1 3.71Å; I415-F427 HydrophobicContact CG2-CZ 4.02Å
416	M	88.7	Confident	68.8	Low	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	20	-178.7	-60.5	-55.5	-65	0	0	113.8	Q386 A389 Q390 I394 Q395 W396 D397 C414 F427 S431	Q386-M416 HydrophobicContact CB-SD 4.37Å; Q386-M416 HydrophobicContact CG-SD 4.17Å; A389-M416 HydrophobicContact CB-CE 4.19Å; A389-M416 HydrophobicContact CB-SD 3.5Å; A389-M416 WeakPolarHBondContact CB-SD 3.21Å; Q390-M416 HydrophobicContact CG-CE 4.21Å; I394-M416 HydrophobicContact CG2-CE 4.21Å; I394-M416 HydrophobicContact CG2-CG 3.74Å; I394-M416 HydrophobicContact CG2-SD 4.32Å; I394-M416 WeakPolarHBondContact O-CE 3.09Å; Q395-M416 WeakPolarHBondContact O-CB 3.3Å; Q395-M416 WeakPolarHBondContact O-CE 3.12Å; W396-M416 CarbonylContact C-O 3.56Å; W396-M416 VanDerWaalsContact CA-O 3.27Å; W396-M416 WeakPolarHBondContact CA-O 3.48Å; W396-M416 HydrophobicContact CD2-CE 4.48Å; W396-M416 VanDerWaalsContact CE3-O 3.22Å; D397-M416 PolarHBondContact N-O 3.38Å; C414-M416 PolarHBondContact O-N 3.35Å; C414-M416 VanDerWaalsContact O-N 3.15Å; M416-F427 HydrophobicContact CG-CD1 4.07Å; M416-F427 HydrophobicContact CG-CE1 4.07Å; M416-F427 HydrophobicContact SD-CE1 4.27Å; M416-S431 WeakPolarHBondContact CG-OG 3.18Å
417	E	81.9	Confident	69.4	Low	23 Å²	23	47.9 Å²	47.9	11%	0.107	26%	0.262	C	S	.	.	S	Bend	trans	-95.3	158.3	166.1	-68.5	-177.1	148.5	0	0	111.5	Q386 W396 D397 R402 C407 G413 C414 I415 T419	Q386-E417 PolarHBondContact NE2-O 2.84Å; W396-E417 WeakPolarHBondContact CZ3-O 3.33Å; D397-E417 HydrophobicContact CB-CG 4.06Å; R402-E417 WeakPolarHBondContact CD-OE1 3.06Å; R402-E417 VanDerWaalsContact CG-OE1 3.28Å; R402-E417 WeakPolarHBondContact CG-OE1 2.99Å; R402-E417 IonicContact NE-OE1 3.4Å; R402-E417 PolarHBondContact NE-OE1 2.89Å; C407-E417 WeakPolarHBondContact CB-OE1 3.47Å; G413-E417 WeakPolarHBondContact CA-OE2 3.43Å; C414-E417 HydrophobicContact CB-CG 4.13Å; C414-E417 PolarHBondContact N-OE2 2.97Å; C414-E417 WeakPolarHBondContact O-CB 3.17Å; C414-E417 PolarHBondContact O-N 3.01Å; I415-E417 VanDerWaalsContact C-N 3.29Å; I415-E417 PolarHBondContact O-N 3.17Å; E417-T419 PolarHBondContact O-N 2.98Å
418	D	71.4	Confident	70.2	Confident	87 Å²	87	47.9 Å²	47.9	47%	0.465	26%	0.262	S	S	.	.			trans	-51	132.6	177	-67.6	-36.9	0	0	0	111.5	G420	D418-G420 PolarHBondContact O-N 3.24Å
419	T	61.8	Low	71.6	Confident	46 Å²	46	50.7 Å²	50.7	28%	0.282	26%	0.264	S	S	.	.			trans	-62.5	103.9	-177.9	35.2	0	0	0	0	111.1	S354 V382 E417	S354-T419 PolarHBondContact OG-OG1 2.73Å; V382-T419 HydrophobicContact CG1-CG2 3.89Å; E417-T419 PolarHBondContact O-N 2.98Å
420	G	60.3	Low	73.3	Confident	51 Å²	51	46.6 Å²	46.6	53%	0.526	24%	0.244	S	C	.	.			trans	-92.4	-166.6	174.3	0	0	0	0	0	113.2	D418 Q422	D418-G420 PolarHBondContact O-N 3.24Å; G420-Q422 PolarHBondContact O-N 3.41Å
421	V	55.7	Low	75	Confident	133 Å²	133	45.7 Å²	45.7	81%	0.806	24%	0.238	S	C	*	.	S	Bend	trans	-69.1	-22	172.8	-179.3	0	0	0	0	111.7
422	Q	60.7	Low	76.8	Confident	67 Å²	67	39.3 Å²	39.3	31%	0.313	22%	0.216	S	C	.	.	S	Bend	trans	-97.6	140.7	178.2	-61	-64.3	-24.4	0	0	110.3	G420 P424	G420-Q422 PolarHBondContact O-N 3.41Å; Q422-P424 WeakPolarHBondContact O-CD 3.38Å
423	H	67.3	Low	78.2	Confident	54 Å²	54	39.4 Å²	39.4	25%	0.25	22%	0.217	C	C	.	.			trans	-101	105.1	-176.4	-61.9	81.2	0	0	0	110.2	S378 S379 V382	S378-H423 PolarHBondContact O-CD2 3.3Å; S379-H423 VanDerWaalsContact CA-CD2 3.41Å; S379-H423 WeakPolarHBondContact CA-CD2 3.35Å; S379-H423 WeakPolarHBondContact CA-NE2 3.25Å; S379-H423 PolarHBondContact N-CD2 3.18Å; S379-H423 PolarHBondContact N-NE2 3.09Å; S379-H423 PolarHBondContact OG-NE2 3.25Å; V382-H423 HydrophobicContact CG2-CB 3.97Å
424	P	71.4	Confident	78.9	Confident	7 Å²	7	40.3 Å²	40.3	5%	0.045	22%	0.22	C	C	.	.			trans	-65.8	149.3	179.8	26.7	-36.1	0	0	0	111.6	V382 S412 C414 I415 Q422	V382-P424 HydrophobicContact CG1-CG 4.07Å; V382-P424 HydrophobicContact CG2-CG 4.26Å; S412-P424 WeakPolarHBondContact O-CA 3.5Å; S412-P424 WeakPolarHBondContact O-CB 3.28Å; C414-P424 WeakPolarHBondContact O-CB 3.29Å; C414-P424 VanDerWaalsContact O-CG 3.31Å; C414-P424 WeakPolarHBondContact O-CG 3.08Å; I415-P424 HydrophobicContact CG1-CB 4.43Å; I415-P424 HydrophobicContact CG1-CG 4.49Å; Q422-P424 WeakPolarHBondContact O-CD 3.38Å
425	Q	74.9	Confident	79.3	Confident	44 Å²	44	40.4 Å²	40.4	21%	0.206	22%	0.219	C	C	.	.			trans	-127.6	19.5	-179.1	-59.5	-174.8	3.9	0	0	112.3	I290 F381	I290-Q425 WeakPolarHBondContact CD1-O 3.27Å; F381-Q425 HydrophobicContact CE1-CG 4.44Å
426	R	80.4	Confident	79.3	Confident	79 Å²	79	44.2 Å²	44.2	30%	0.298	23%	0.233	S	C	.	.			trans	-144.8	144.6	177.2	-64.1	-151.5	162.1	132.8	0.6	112.5	I209 L210 C414 I415	I209-R426 PolarHBondContact O-NH1 2.87Å; L210-R426 VanDerWaalsContact CD2-NH2 3.32Å; C414-R426 CarbonylContact C-O 3.54Å; C414-R426 WeakPolarHBondContact CA-O 3.43Å; I415-R426 WeakPolarHBondContact CG1-O 3.41Å; I415-R426 PolarHBondContact N-O 2.61Å
427	F	87.6	Confident	79.2	Confident	12 Å²	12	44.6 Å²	44.6	5%	0.053	24%	0.235	C	C	.	.			trans	-75.6	148.1	163.4	-74.6	-72.2	0	0	0	110.5	F291 Q294 L295 A389 I394 I415 M416 I432	F291-F427 HydrophobicContact CD2-CE2 4.19Å; F291-F427 HydrophobicContact CD2-CZ 4.49Å; F291-F427 AromaticContact CE2-CE2 3.95Å; F291-F427 HydrophobicContact CE2-CE2 3.95Å; F291-F427 AromaticContact CE2-CZ 3.8Å; F291-F427 HydrophobicContact CE2-CZ 3.8Å; F291-F427 HydrophobicContact CZ-CE2 4.46Å; F291-F427 HydrophobicContact CZ-CZ 4.02Å; Q294-F427 HydrophobicContact CB-CD2 4.29Å; L295-F427 HydrophobicContact CD1-CD2 4.1Å; L295-F427 HydrophobicContact CD1-CE2 3.69Å; L295-F427 HydrophobicContact CD1-CZ 4.02Å; L295-F427 HydrophobicContact CD2-CD2 4.27Å; L295-F427 HydrophobicContact CG-CD2 4.06Å; L295-F427 HydrophobicContact CG-CE2 4.1Å; A389-F427 HydrophobicContact CB-CE1 3.79Å; A389-F427 HydrophobicContact CB-CZ 4.16Å; I394-F427 HydrophobicContact CD1-CE1 4.32Å; I415-F427 HydrophobicContact CB-CD1 4.12Å; I415-F427 HydrophobicContact CB-CE1 4.03Å; I415-F427 HydrophobicContact CB-CZ 4.47Å; I415-F427 HydrophobicContact CD1-CD1 4.47Å; I415-F427 HydrophobicContact CD1-CD2 3.95Å; I415-F427 HydrophobicContact CD1-CE1 4.33Å; I415-F427 HydrophobicContact CD1-CE2 3.8Å; I415-F427 HydrophobicContact CD1-CG 4.29Å; I415-F427 HydrophobicContact CD1-CZ 4.01Å; I415-F427 HydrophobicContact CG2-CD1 4.3Å; I415-F427 HydrophobicContact CG2-CE1 3.71Å; I415-F427 HydrophobicContact CG2-CZ 4.02Å; M416-F427 HydrophobicContact CG-CD1 4.07Å; M416-F427 HydrophobicContact CG-CE1 4.07Å; M416-F427 HydrophobicContact SD-CE1 4.27Å; F427-I432 HydrophobicContact CB-CG1 4.38Å
428	S	87.9	Confident	79.5	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.021	23%	0.233	C	C	.	.			trans	-77.4	166.4	175.5	84.4	0	0	0	0	111.1	D397 C407 C430 S431 I432	D397-S428 VanDerWaalsContact CG-OG 3.32Å; D397-S428 WeakPolarHBondContact OD1-CB 3.26Å; D397-S428 PolarHBondContact OD1-OG 3.03Å; D397-S428 VanDerWaalsContact OD2-CB 3.31Å; D397-S428 WeakPolarHBondContact OD2-CB 3.36Å; D397-S428 PolarHBondContact OD2-OG 3.22Å; C407-S428 WeakPolarHBondContact SG-CB 3.2Å; S428-C430 PolarHBondContact O-N 3.2Å; S428-C430 WeakPolarHBondContact OG-CB 3.35Å; S428-C430 PolarHBondContact OG-N 2.98Å; S428-C430 VanDerWaalsContact OG-N 3.17Å; S428-S431 PolarHBondContact N-OG 3.13Å; S428-S431 WeakPolarHBondContact O-CB 3.13Å; S428-S431 PolarHBondContact O-N 3.35Å; S428-S431 PolarHBondContact OG-N 2.88Å; S428-S431 PolarHBondContact OG-OG 2.76Å; S428-S431 VanDerWaalsContact OG-OG 3.06Å; S428-I432 WeakPolarHBondContact O-CG1 3.35Å; S428-I432 PolarHBondContact O-N 2.95Å; S428-I432 VanDerWaalsContact O-N 3.11Å
429	K	86.4	Confident	80.3	Confident	117 Å²	117	40.4 Å²	40.4	51%	0.509	21%	0.213	S	C	.	.	H	α-helix	trans	-59.8	-36.7	170.4	-66.7	-175.3	178.6	-175.4	0	111.5	C405 I432 S433	C405-K429 PolarHBondContact O-N 3.13Å; K429-I432 PolarHBondContact O-N 3.48Å; K429-S433 PolarHBondContact O-N 2.9Å
430	C	87.9	Confident	81.4	Confident	29 Å²	29	39.1 Å²	39.1	20%	0.196	20%	0.204	C	C	.	.	H	α-helix	trans	-65.6	-41.3	176	-63.9	0	0	0	0	111.3	C405 S428 I432 S433 D434	C405-C430 WeakPolarHBondContact CA-SG 3.45Å; C405-C430 HydrophobicContact CB-CB 3.78Å; C405-C430 WeakPolarHBondContact CB-SG 3.09Å; C405-C430 WeakPolarHBondContact SG-CB 3.23Å; C405-C430 CovalentContact SG-SG 2.04Å; C405-C430 PolarHBondContact SG-SG 3.41Å; S428-C430 PolarHBondContact O-N 3.2Å; S428-C430 WeakPolarHBondContact OG-CB 3.35Å; S428-C430 PolarHBondContact OG-N 2.98Å; S428-C430 VanDerWaalsContact OG-N 3.17Å; C430-I432 VanDerWaalsContact C-N 3.33Å; C430-I432 PolarHBondContact O-N 3.15Å; C430-S433 WeakPolarHBondContact O-CB 3.4Å; C430-S433 PolarHBondContact O-N 2.84Å; C430-S433 VanDerWaalsContact O-N 3.13Å; C430-D434 PolarHBondContact O-N 2.76Å
431	S	91.2	Very high	82.5	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.7	-42.9	176.7	-56.9	0	0	0	0	112.2	M416 S428 S433 D434 Y435	M416-S431 WeakPolarHBondContact CG-OG 3.18Å; S428-S431 PolarHBondContact N-OG 3.13Å; S428-S431 WeakPolarHBondContact O-CB 3.13Å; S428-S431 PolarHBondContact O-N 3.35Å; S428-S431 PolarHBondContact OG-N 2.88Å; S428-S431 PolarHBondContact OG-OG 2.76Å; S428-S431 VanDerWaalsContact OG-OG 3.06Å; S431-S433 VanDerWaalsContact C-N 3.32Å; S431-D434 PolarHBondContact O-N 2.94Å; S431-Y435 PolarHBondContact O-N 3.06Å
432	I	90.5	Very high	83.7	Confident	44 Å²	44	32 Å²	32	23%	0.226	15%	0.151	C	C	.	.	H	α-helix	trans	-65.9	-38.3	176.6	-62.6	168	0	0	0	110.4	L295 F427 S428 K429 C430 R436	L295-I432 HydrophobicContact CD2-CG1 4.27Å; F427-I432 HydrophobicContact CB-CG1 4.38Å; S428-I432 WeakPolarHBondContact O-CG1 3.35Å; S428-I432 PolarHBondContact O-N 2.95Å; S428-I432 VanDerWaalsContact O-N 3.11Å; K429-I432 PolarHBondContact O-N 3.48Å; C430-I432 VanDerWaalsContact C-N 3.33Å; C430-I432 PolarHBondContact O-N 3.15Å; I432-R436 VanDerWaalsContact O-CG 3.26Å; I432-R436 WeakPolarHBondContact O-CG 3.18Å; I432-R436 PolarHBondContact O-N 3.37Å
433	S	88	Confident	84.9	Confident	16 Å²	16	29.3 Å²	29.3	11%	0.112	14%	0.141	C	C	.	.	H	α-helix	trans	-64.3	-45.2	176	-163.1	0	0	0	0	112	K429 C430 S431 Y435 R436 E437	K429-S433 PolarHBondContact O-N 2.9Å; C430-S433 WeakPolarHBondContact O-CB 3.4Å; C430-S433 PolarHBondContact O-N 2.84Å; C430-S433 VanDerWaalsContact O-N 3.13Å; S431-S433 VanDerWaalsContact C-N 3.32Å; S433-Y435 PolarHBondContact O-N 2.78Å; S433-R436 WeakPolarHBondContact O-CB 3.06Å; S433-R436 PolarHBondContact O-N 2.97Å; S433-R436 VanDerWaalsContact O-N 3.13Å; S433-E437 PolarHBondContact O-N 2.88Å
434	D	90.1	Very high	85.8	Confident	29 Å²	29	26.9 Å²	26.9	16%	0.155	13%	0.13	C	C	.	.	H	α-helix	trans	-59.9	-46.1	176.3	-77.2	-10.1	0	0	0	111.6	I394 Q395 C430 S431 R436 E437 F438	I394-D434 HydrophobicContact CG2-CB 4.43Å; Q395-D434 WeakPolarHBondContact CB-OD2 3.33Å; Q395-D434 PolarHBondContact N-OD2 3.18Å; C430-D434 PolarHBondContact O-N 2.76Å; S431-D434 PolarHBondContact O-N 2.94Å; D434-R436 VanDerWaalsContact C-N 3.26Å; D434-R436 PolarHBondContact O-N 3.28Å; D434-E437 PolarHBondContact O-N 3.39Å; D434-E437 VanDerWaalsContact O-N 3.16Å; D434-F438 PolarHBondContact O-N 3.06Å
435	Y	92.5	Very high	86.5	Confident	7 Å²	7	27.4 Å²	27.4	3%	0.027	13%	0.134	C	C	.	.	H	α-helix	trans	-58.2	-40.9	175.2	177.6	-124.5	0	0	0	111.7	K254 L295 T297 L392 S431 S433 F438 L439	K254-Y435 WeakPolarHBondContact CD-OH 3.26Å; L295-Y435 HydrophobicContact CB-CD1 4.43Å; L295-Y435 HydrophobicContact CB-CE1 4.21Å; L295-Y435 HydrophobicContact CD2-CD1 4Å; L295-Y435 HydrophobicContact CD2-CG 4.41Å; T297-Y435 PolarHBondContact OG1-OH 2.85Å; T297-Y435 VanDerWaalsContact OG1-OH 3.08Å; L392-Y435 HydrophobicContact CB-CD2 4.09Å; L392-Y435 HydrophobicContact CB-CE2 4.34Å; L392-Y435 HydrophobicContact CD1-CD2 4.43Å; L392-Y435 HydrophobicContact CD1-CE2 4.17Å; L392-Y435 HydrophobicContact CD2-CE2 4.12Å; L392-Y435 HydrophobicContact CG-CE2 4.45Å; S431-Y435 PolarHBondContact O-N 3.06Å; S433-Y435 PolarHBondContact O-N 2.78Å; Y435-F438 WeakPolarHBondContact O-CB 3.47Å; Y435-F438 PolarHBondContact O-N 2.8Å; Y435-L439 HydrophobicContact CD1-CD1 4.48Å; Y435-L439 HydrophobicContact CD2-CG 4.5Å; Y435-L439 HydrophobicContact CE1-CD1 3.86Å; Y435-L439 HydrophobicContact CE2-CD1 4.1Å; Y435-L439 HydrophobicContact CE2-CD2 4.15Å; Y435-L439 HydrophobicContact CE2-CG 4.05Å; Y435-L439 PolarHBondContact O-N 3.39Å; Y435-L439 VanDerWaalsContact O-N 3.13Å
436	R	88.6	Confident	87.1	Confident	80 Å²	80	26.5 Å²	26.5	30%	0.302	13%	0.133	S	C	.	.	H	α-helix	trans	-67.2	-40.4	177	-70.4	176.4	-176.9	-168	2.6	112.2	F250 I432 S433 D434 F438 L439 L440	F250-R436 HydrophobicContact CD1-CB 4.22Å; F250-R436 HydrophobicContact CD1-CG 3.71Å; F250-R436 HydrophobicContact CE1-CB 3.5Å; F250-R436 HydrophobicContact CE1-CG 3.52Å; F250-R436 HydrophobicContact CG-CG 4.46Å; F250-R436 HydrophobicContact CZ-CB 3.8Å; F250-R436 HydrophobicContact CZ-CG 4.08Å; I432-R436 VanDerWaalsContact O-CG 3.26Å; I432-R436 WeakPolarHBondContact O-CG 3.18Å; I432-R436 PolarHBondContact O-N 3.37Å; S433-R436 WeakPolarHBondContact O-CB 3.06Å; S433-R436 PolarHBondContact O-N 2.97Å; S433-R436 VanDerWaalsContact O-N 3.13Å; D434-R436 VanDerWaalsContact C-N 3.26Å; D434-R436 PolarHBondContact O-N 3.28Å; R436-F438 VanDerWaalsContact C-N 3.32Å; R436-L439 PolarHBondContact O-N 3.07Å; R436-L440 VanDerWaalsContact O-CG 3.32Å; R436-L440 WeakPolarHBondContact O-CG 3.4Å; R436-L440 PolarHBondContact O-N 2.94Å
437	E	86.3	Confident	87.6	Confident	9 Å²	9	22.8 Å²	22.8	4%	0.042	12%	0.118	C	C	.	.	H	α-helix	trans	-61.8	-41.2	174.9	-170.1	-179.4	145.2	0	0	111.1	L234 L237 S433 D434 L440 K441 Y567 R624	L234-E437 HydrophobicContact CD1-CB 4.38Å; L234-E437 HydrophobicContact CD1-CG 4.06Å; L234-E437 HydrophobicContact CD2-CG 4.49Å; L237-E437 HydrophobicContact CD1-CG 4.17Å; S433-E437 PolarHBondContact O-N 2.88Å; D434-E437 PolarHBondContact O-N 3.39Å; D434-E437 VanDerWaalsContact O-N 3.16Å; E437-L440 PolarHBondContact O-N 2.83Å; E437-K441 WeakPolarHBondContact O-CG 3.44Å; E437-K441 PolarHBondContact O-N 3.16Å; E437-K441 VanDerWaalsContact O-N 3.09Å; E437-K441 WeakPolarHBondContact OE1-CE 3.37Å; E437-K441 IonicContact OE1-NZ 3.33Å; E437-K441 PolarHBondContact OE1-NZ 3.44Å; E437-Y567 WeakPolarHBondContact OE1-CD2 3.23Å; E437-Y567 WeakPolarHBondContact OE1-CE2 3.43Å; E437-R624 IonicContact OE1-CZ 3.23Å; E437-R624 IonicContact OE1-NH1 3.28Å; E437-R624 IonicContact OE1-NH2 2.78Å; E437-R624 PolarHBondContact OE1-NH2 3.5Å; E437-R624 IonicContact OE2-CZ 2.65Å; E437-R624 IonicContact OE2-NH1 2.8Å; E437-R624 PolarHBondContact OE2-NH1 3.17Å; E437-R624 IonicContact OE2-NH2 2.77Å; E437-R624 PolarHBondContact OE2-NH2 3.35Å
438	F	89.4	Confident	87.5	Confident	14 Å²	14	23.2 Å²	23.2	6%	0.061	12%	0.12	C	C	.	.	H	α-helix	trans	-58.3	-50.4	175.7	173.4	-104.2	0	0	0	112.1	M362 L392 D434 Y435 R436 L440 K441 G443	M362-F438 HydrophobicContact CB-CE1 4.48Å; M362-F438 HydrophobicContact CB-CZ 4.05Å; L392-F438 HydrophobicContact CD2-CE1 4.33Å; L392-F438 WeakPolarHBondContact O-CB 3.26Å; L392-F438 WeakPolarHBondContact O-CD1 3.48Å; L392-F438 WeakPolarHBondContact O-CG 3.41Å; D434-F438 PolarHBondContact O-N 3.06Å; Y435-F438 WeakPolarHBondContact O-CB 3.47Å; Y435-F438 PolarHBondContact O-N 2.8Å; R436-F438 VanDerWaalsContact C-N 3.32Å; F438-L440 PolarHBondContact O-N 2.85Å; F438-K441 PolarHBondContact O-N 2.97Å; F438-G443 VanDerWaalsContact CE1-C 3.5Å; F438-G443 PolarHBondContact O-N 3.45Å; F438-G443 VanDerWaalsContact O-N 3.08Å
439	L	88.2	Confident	87	Confident	7 Å²	7	25.5 Å²	25.5	4%	0.037	13%	0.133	C	C	.	.	H	α-helix	trans	-63	-40	177.7	-65.3	179.1	0	0	0	112.4	F250 Y435 R436 K441 G442	F250-L439 HydrophobicContact CD1-CD1 4.03Å; F250-L439 HydrophobicContact CE1-CB 4.15Å; F250-L439 HydrophobicContact CE1-CD1 4.11Å; Y435-L439 HydrophobicContact CD1-CD1 4.48Å; Y435-L439 HydrophobicContact CD2-CG 4.5Å; Y435-L439 HydrophobicContact CE1-CD1 3.86Å; Y435-L439 HydrophobicContact CE2-CD1 4.1Å; Y435-L439 HydrophobicContact CE2-CD2 4.15Å; Y435-L439 HydrophobicContact CE2-CG 4.05Å; Y435-L439 PolarHBondContact O-N 3.39Å; Y435-L439 VanDerWaalsContact O-N 3.13Å; R436-L439 PolarHBondContact O-N 3.07Å; L439-K441 VanDerWaalsContact C-N 3.28Å; L439-K441 PolarHBondContact O-N 3.4Å; L439-G442 PolarHBondContact O-N 3.26Å
440	L	84.8	Confident	86.6	Confident	19 Å²	19	23.5 Å²	23.5	10%	0.099	12%	0.122	C	C	.	.	H	α-helix	trans	-66.7	-29.2	179.6	-73.4	168.8	0	0	0	113.3	L231 F250 R436 E437 F438 G442	L231-L440 HydrophobicContact CD2-CD1 3.7Å; F250-L440 HydrophobicContact CE1-CG 4.42Å; F250-L440 HydrophobicContact CE2-CD1 4.37Å; F250-L440 HydrophobicContact CE2-CD2 4.07Å; F250-L440 HydrophobicContact CE2-CG 4.28Å; F250-L440 HydrophobicContact CZ-CD1 3.76Å; F250-L440 HydrophobicContact CZ-CD2 3.79Å; F250-L440 HydrophobicContact CZ-CG 3.54Å; R436-L440 VanDerWaalsContact O-CG 3.32Å; R436-L440 WeakPolarHBondContact O-CG 3.4Å; R436-L440 PolarHBondContact O-N 2.94Å; E437-L440 PolarHBondContact O-N 2.83Å; F438-L440 PolarHBondContact O-N 2.85Å; L440-G442 PolarHBondContact O-N 3.47Å
441	K	83.3	Confident	85.7	Confident	25 Å²	25	22.7 Å²	22.7	11%	0.109	12%	0.116	C	C	.	.	H	α-helix	trans	-71.2	-13.3	174.2	-76.5	177.5	-173.6	158.3	0	113.4	L237 E437 F438 L439 N519 E557	L237-K441 HydrophobicContact CD1-CG 4.24Å; L237-K441 HydrophobicContact CD2-CG 3.95Å; E437-K441 WeakPolarHBondContact O-CG 3.44Å; E437-K441 PolarHBondContact O-N 3.16Å; E437-K441 VanDerWaalsContact O-N 3.09Å; E437-K441 WeakPolarHBondContact OE1-CE 3.37Å; E437-K441 IonicContact OE1-NZ 3.33Å; E437-K441 PolarHBondContact OE1-NZ 3.44Å; F438-K441 PolarHBondContact O-N 2.97Å; L439-K441 VanDerWaalsContact C-N 3.28Å; L439-K441 PolarHBondContact O-N 3.4Å; K441-N519 PolarHBondContact O-ND2 2.8Å; K441-E557 HydrophobicContact CB-CG 4.34Å; K441-E557 WeakPolarHBondContact O-CA 3.26Å; K441-E557 WeakPolarHBondContact O-CG 3.29Å
442	G	80.3	Confident	84.1	Confident	10 Å²	10	28 Å²	28	10%	0.103	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.8	7.5	-175.5	0	0	0	0	0	113.5	L439 L440 N519	L439-G442 PolarHBondContact O-N 3.26Å; L440-G442 PolarHBondContact O-N 3.47Å; G442-N519 PolarHBondContact N-ND2 2.94Å
443	G	85.9	Confident	82.5	Confident	10 Å²	10	30.4 Å²	30.4	10%	0.103	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	152.6	172.5	0	0	0	0	0	112.2	F438	F438-G443 VanDerWaalsContact CE1-C 3.5Å; F438-G443 PolarHBondContact O-N 3.45Å; F438-G443 VanDerWaalsContact O-N 3.08Å
444	G	86.7	Confident	81	Confident	3 Å²	3	29.9 Å²	29.9	3%	0.031	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	25.8	173.2	0	0	0	0	0	115.2	C446 L447 F448	G444-C446 PolarHBondContact O-N 2.89Å; G444-L447 WeakPolarHBondContact O-CB 3.33Å; G444-L447 WeakPolarHBondContact O-CG 3.3Å; G444-L447 PolarHBondContact O-N 3Å; G444-F448 WeakPolarHBondContact O-CD2 3.49Å; G444-F448 WeakPolarHBondContact O-CE2 3.45Å
445	S	85.4	Confident	79.2	Confident	19 Å²	19	29.4 Å²	29.4	13%	0.133	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-54.5	-37.2	177.5	52.2	0	0	0	0	113.2	L447	S445-L447 PolarHBondContact O-N 2.81Å; S445-L447 VanDerWaalsContact O-N 3.15Å
446	C	88.2	Confident	77.5	Confident	25 Å²	25	31.1 Å²	31.1	17%	0.169	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-67.1	-7.3	176.7	67.9	0	0	0	0	114.5	D339 C363 G444 N449	D339-C446 WeakPolarHBondContact OD1-CB 3.44Å; D339-C446 PolarHBondContact OD1-SG 3.02Å; C363-C446 WeakPolarHBondContact CA-SG 3.47Å; C363-C446 HydrophobicContact CB-CB 3.65Å; C363-C446 WeakPolarHBondContact CB-SG 3.41Å; C363-C446 WeakPolarHBondContact SG-CB 3.24Å; C363-C446 PolarHBondContact SG-N 2.84Å; C363-C446 CovalentContact SG-SG 2.02Å; C363-C446 PolarHBondContact SG-SG 2.81Å; G444-C446 PolarHBondContact O-N 2.89Å; C446-N449 PolarHBondContact O-OD1 3.22Å
447	L	90.8	Very high	75.9	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-89.8	1	-172.1	-54.9	175.9	0	0	0	114.2	K254 Y255 L256 D339 M362 L392 G444 S445	K254-L447 CarbonylContact C-O 3.57Å; K254-L447 VanDerWaalsContact CA-O 3.3Å; K254-L447 WeakPolarHBondContact CA-O 3.06Å; K254-L447 HydrophobicContact CB-CB 4.07Å; K254-L447 HydrophobicContact CG-CB 4.29Å; Y255-L447 PolarHBondContact N-O 3.48Å; Y255-L447 VanDerWaalsContact O-CA 3.24Å; Y255-L447 WeakPolarHBondContact O-CA 3.36Å; Y255-L447 WeakPolarHBondContact O-CD2 3.31Å; L256-L447 HydrophobicContact CB-CD2 4.2Å; L256-L447 HydrophobicContact CD1-CD2 3.61Å; D339-L447 HydrophobicContact CB-CD2 4.34Å; M362-L447 HydrophobicContact CG-CD1 4.28Å; M362-L447 HydrophobicContact CG-CD2 3.94Å; M362-L447 HydrophobicContact CG-CG 4.35Å; M362-L447 HydrophobicContact SD-CD2 4.38Å; L392-L447 HydrophobicContact CD2-CD1 3.64Å; G444-L447 WeakPolarHBondContact O-CB 3.33Å; G444-L447 WeakPolarHBondContact O-CG 3.3Å; G444-L447 PolarHBondContact O-N 3Å; S445-L447 PolarHBondContact O-N 2.81Å; S445-L447 VanDerWaalsContact O-N 3.15Å
448	F	84.9	Confident	74.6	Confident	21 Å²	21	32.9 Å²	32.9	9%	0.092	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-103.6	0.8	-172.7	-65.1	-94.9	0	0	0	112.9	A249 E252 K254 G444 R450 N537	A249-F448 HydrophobicContact CB-CE1 4.47Å; A249-F448 HydrophobicContact CB-CZ 4.35Å; E252-F448 HydrophobicContact CG-CD1 4.43Å; E252-F448 WeakPolarHBondContact OE2-CD1 3.28Å; K254-F448 HydrophobicContact CG-CE1 4.42Å; K254-F448 HydrophobicContact CG-CZ 4.45Å; G444-F448 WeakPolarHBondContact O-CD2 3.49Å; G444-F448 WeakPolarHBondContact O-CE2 3.45Å; F448-R450 PolarHBondContact O-N 2.85Å; F448-N537 HydrophobicContact CB-CB 3.71Å; F448-N537 HydrophobicContact CD2-CB 3.92Å; F448-N537 WeakPolarHBondContact CD2-ND2 3.22Å; F448-N537 VanDerWaalsContact CE2-ND2 3.31Å; F448-N537 WeakPolarHBondContact CE2-ND2 3.24Å; F448-N537 HydrophobicContact CG-CB 3.95Å
449	N	78.6	Confident	73.5	Confident	52 Å²	52	35.9 Å²	35.9	28%	0.278	20%	0.196	S	C	.	.			trans	-81.7	102.4	171.9	62.4	-35.2	0	0	0	109.7	C446 P451	C446-N449 PolarHBondContact O-OD1 3.22Å; N449-P451 VanDerWaalsContact O-CD 3.28Å; N449-P451 WeakPolarHBondContact O-CD 3.4Å
450	R	76.7	Confident	72.8	Confident	75 Å²	75	38.9 Å²	38.9	28%	0.283	22%	0.217	S	C	.	.			trans	-63.1	122.2	169.8	-174.8	170.9	-167.7	-172.6	9.6	109.6	Y255 F448 T452 G463 Y464 D497	Y255-R450 HydrophobicContact CD2-CB 4.07Å; Y255-R450 HydrophobicContact CD2-CG 4.41Å; Y255-R450 HydrophobicContact CE1-CG 4.3Å; Y255-R450 HydrophobicContact CE2-CB 3.62Å; Y255-R450 HydrophobicContact CE2-CG 3.69Å; Y255-R450 PolarHBondContact OH-NE 3.35Å; F448-R450 PolarHBondContact O-N 2.85Å; R450-T452 PolarHBondContact O-N 3.36Å; R450-G463 PolarHBondContact NH1-O 3.19Å; R450-G463 PolarHBondContact NH2-O 3.45Å; R450-Y464 HydrophobicContact CG-CE1 4.22Å; R450-D497 IonicContact NH1-OD2 3.73Å; R450-D497 PolarHBondContact NH1-OD2 3.02Å
451	P	68.6	Low	72.2	Confident	11 Å²	11	39.7 Å²	39.7	7%	0.071	23%	0.23	C	C	.	.			trans	-57.6	133.2	175.7	-24	33.3	0	0	0	109.7	Y255 V300 N449 K453 Y464	Y255-P451 HydrophobicContact CD1-CG 4.27Å; Y255-P451 VanDerWaalsContact CG-CD 3.49Å; Y255-P451 HydrophobicContact CG-CG 4.42Å; V300-P451 HydrophobicContact CG1-CG 4.46Å; V300-P451 HydrophobicContact CG2-CG 4.26Å; N449-P451 VanDerWaalsContact O-CD 3.28Å; N449-P451 WeakPolarHBondContact O-CD 3.4Å; P451-K453 VanDerWaalsContact C-N 3.33Å; P451-Y464 HydrophobicContact CB-CE1 4.38Å; P451-Y464 WeakPolarHBondContact O-CD1 3.27Å; P451-Y464 WeakPolarHBondContact O-CE1 3.39Å
452	T	59.1	Low	71.3	Confident	112 Å²	112	39.7 Å²	39.7	69%	0.687	23%	0.231	S	C	*	.	S	Bend	trans	-82.4	-12.8	-175.1	50.8	0	0	0	0	113.6	R450	R450-T452 PolarHBondContact O-N 3.36Å
453	K	56.4	Low	70.9	Confident	94 Å²	94	39.4 Å²	39.4	41%	0.409	23%	0.228	S	C	.	.			trans	-152.4	143.7	-177.6	-65.3	-179	-176	176.5	0	109.5	S129 P451	S129-K453 VanDerWaalsContact CB-C 3.47Å; S129-K453 VanDerWaalsContact CB-O 3.29Å; S129-K453 WeakPolarHBondContact CB-O 3.45Å; S129-K453 PolarHBondContact N-O 3.36Å; S129-K453 VanDerWaalsContact N-O 3.13Å; S129-K453 VanDerWaalsContact OG-CB 3.28Å; S129-K453 WeakPolarHBondContact OG-CB 3.4Å; S129-K453 PolarHBondContact OG-O 3.26Å; P451-K453 VanDerWaalsContact C-N 3.33Å
454	L	56.5	Low	70.2	Confident	5 Å²	5	39.1 Å²	39.1	3%	0.026	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-122.9	169.6	173.7	-70.1	160.7	0	0	0	109.9	N124 D125 L127 V300 Y464	N124-L454 VanDerWaalsContact O-CB 3.29Å; N124-L454 WeakPolarHBondContact O-CB 3.45Å; N124-L454 WeakPolarHBondContact O-CD1 3.45Å; D125-L454 HydrophobicContact CB-CD1 3.61Å; D125-L454 HydrophobicContact CB-CD2 4.41Å; D125-L454 WeakPolarHBondContact OD1-CD1 3.3Å; L127-L454 WeakPolarHBondContact O-CD2 2.92Å; V300-L454 HydrophobicContact CG1-CD2 4.31Å; L454-Y464 HydrophobicContact CD1-CD1 3.61Å; L454-Y464 HydrophobicContact CD1-CD2 3.41Å; L454-Y464 VanDerWaalsContact CD1-CD2 3.41Å; L454-Y464 HydrophobicContact CD1-CE1 3.45Å; L454-Y464 VanDerWaalsContact CD1-CE1 3.45Å; L454-Y464 HydrophobicContact CD1-CE2 3.31Å; L454-Y464 HydrophobicContact CD1-CG 3.57Å; L454-Y464 HydrophobicContact CG-CD1 4.06Å; L454-Y464 HydrophobicContact CG-CE1 4Å; L454-Y464 HydrophobicContact CG-CG 4.33Å
455	F	52.6	Low	69.6	Low	20 Å²	20	42.4 Å²	42.4	9%	0.088	24%	0.243	C	C	.	.	S	Bend	trans	-68.4	128.3	-168.7	-176.7	-102.7	0	0	0	113.2	L127 G147 H149	L127-F455 HydrophobicContact CB-CB 3.77Å; L127-F455 HydrophobicContact CB-CG 4.38Å; L127-F455 HydrophobicContact CD1-CD1 4.11Å; L127-F455 HydrophobicContact CD1-CG 4.34Å; L127-F455 PolarHBondContact O-N 3.16Å; G147-F455 VanDerWaalsContact N-CZ 3.34Å; G147-F455 WeakPolarHBondContact O-CE1 3.07Å; G147-F455 WeakPolarHBondContact O-CZ 3.48Å; H149-F455 HydrophobicContact CB-CD1 3.55Å; H149-F455 HydrophobicContact CB-CE1 3.73Å
456	E	56.4	Low	68.9	Low	42 Å²	42	42.2 Å²	42.2	20%	0.196	24%	0.24	C	C	.	.	S	Bend	trans	96.7	-173.5	175.5	-70.1	-176.5	-178.8	0	0	118.5
457	V	54.5	Low	67.9	Low	87 Å²	87	46.4 Å²	46.4	53%	0.527	27%	0.265	S	S	.	.	S	Bend	trans	-63.3	136.8	-169.1	-173.3	0	0	0	0	109.7	H459	V457-H459 PolarHBondContact O-CD2 2.87Å; V457-H459 PolarHBondContact O-N 3.27Å; V457-H459 VanDerWaalsContact O-N 3.13Å
458	A	59.7	Low	67	Low	39 Å²	39	50.2 Å²	50.2	32%	0.322	30%	0.304	S	S	.	.			trans	-45.2	119	180	0	0	0	0	0	111.8	E466 V467 E469	A458-E466 VanDerWaalsContact CA-OE2 3.3Å; A458-E466 WeakPolarHBondContact CA-OE2 3.42Å; A458-E466 HydrophobicContact CB-CB 3.62Å; A458-V467 WeakPolarHBondContact CB-O 3.2Å; A458-E469 HydrophobicContact CB-CG 4.44Å
459	H	66.7	Low	66.8	Low	77 Å²	77	50.3 Å²	50.3	36%	0.356	31%	0.305	S	S	.	.			trans	-121.8	87.1	-170.3	-104.6	-62.6	0	0	0	111	V457 G461 N462 E466	V457-H459 PolarHBondContact O-CD2 2.87Å; V457-H459 PolarHBondContact O-N 3.27Å; V457-H459 VanDerWaalsContact O-N 3.13Å; H459-G461 PolarHBondContact O-N 3.11Å; H459-N462 WeakPolarHBondContact O-CB 3.44Å; H459-N462 PolarHBondContact O-N 2.87Å; H459-N462 PolarHBondContact O-ND2 3.07Å; H459-E466 PolarHBondContact N-OE2 3.36Å
460	C	72.7	Confident	66.9	Low	71 Å²	71	53.7 Å²	53.7	48%	0.48	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	120.3	179.9	177.5	0	0	0	0	114.5	E469 C487	C460-E469 WeakPolarHBondContact CA-OE1 3.17Å; C460-E469 WeakPolarHBondContact CB-OE1 3.39Å; C460-E469 PolarHBondContact N-OE1 3.26Å; C460-C487 WeakPolarHBondContact CA-SG 3.49Å; C460-C487 HydrophobicContact CB-CB 3.59Å; C460-C487 WeakPolarHBondContact CB-SG 3.42Å; C460-C487 WeakPolarHBondContact SG-CB 3.27Å; C460-C487 PolarHBondContact SG-N 3.06Å; C460-C487 CovalentContact SG-SG 2.01Å; C460-C487 PolarHBondContact SG-SG 3.33Å
461	G	72.1	Confident	67	Low	35 Å²	35	50.1 Å²	50.1	36%	0.361	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.4	13.6	179.2	0	0	0	0	0	114.1	H459 D472 G474 C487	H459-G461 PolarHBondContact O-N 3.11Å; G461-D472 VanDerWaalsContact CA-OD1 3.24Å; G461-D472 WeakPolarHBondContact CA-OD1 3.33Å; G461-D472 WeakPolarHBondContact CA-OD2 3.25Å; G461-D472 VanDerWaalsContact N-CG 3.33Å; G461-D472 PolarHBondContact N-OD1 3.02Å; G461-D472 PolarHBondContact N-OD2 2.85Å; G461-G474 CarbonylContact C-O 3.6Å; G461-G474 WeakPolarHBondContact CA-O 3.43Å; G461-G474 CarbonylContact O-C 3.51Å; G461-G474 VanDerWaalsContact O-CA 3.3Å; G461-G474 WeakPolarHBondContact O-CA 3.38Å; G461-C487 PolarHBondContact N-SG 2.62Å
462	N	65.1	Low	67.4	Low	25 Å²	25	49.6 Å²	49.6	13%	0.134	30%	0.302	C	S	.	.	S	Bend	trans	-93.1	-8.5	176.1	68.8	14.2	0	0	0	112.8	H459 Y464 E466 D472	H459-N462 WeakPolarHBondContact O-CB 3.44Å; H459-N462 PolarHBondContact O-N 2.87Å; H459-N462 PolarHBondContact O-ND2 3.07Å; N462-Y464 WeakPolarHBondContact O-CD2 3.46Å; N462-Y464 PolarHBondContact OD1-N 2.82Å; N462-Y464 PolarHBondContact OD1-O 2.88Å; N462-E466 PolarHBondContact ND2-OE2 3.14Å; N462-D472 PolarHBondContact N-OD1 2.89Å; N462-D472 PolarHBondContact N-OD2 3.14Å; N462-D472 PolarHBondContact OD1-OD2 3.02Å
463	G	71.5	Confident	68.1	Low	4 Å²	4	44.9 Å²	44.9	4%	0.041	27%	0.273	C	S	.	.	S	Bend	trans	92.2	-0.2	179.5	0	0	0	0	0	114.8	R450 D472 G474	R450-G463 PolarHBondContact NH1-O 3.19Å; R450-G463 PolarHBondContact NH2-O 3.45Å; G463-D472 CarbonylContact C-O 3.57Å; G463-D472 WeakPolarHBondContact CA-O 3.25Å; G463-D472 WeakPolarHBondContact CA-OD1 3.34Å; G463-D472 PolarHBondContact N-OD1 3.25Å; G463-D472 PolarHBondContact N-OD2 3.02Å; G463-G474 VanDerWaalsContact CA-N 3.33Å
464	Y	70.9	Confident	69	Low	5 Å²	5	41.1 Å²	41.1	2%	0.02	26%	0.261	C	S	.	.	S	Bend	trans	-112.2	130.5	-177.6	-69	-100.4	0	0	0	109.7	D125 Y255 R450 P451 L454 N462 E466 D472	D125-Y464 HydrophobicContact CB-CE2 4.12Å; D125-Y464 VanDerWaalsContact CG-CE2 3.46Å; D125-Y464 WeakPolarHBondContact OD1-CE2 3.5Å; Y255-Y464 VanDerWaalsContact CE1-OH 3.26Å; Y255-Y464 WeakPolarHBondContact CE1-OH 3.3Å; R450-Y464 HydrophobicContact CG-CE1 4.22Å; P451-Y464 HydrophobicContact CB-CE1 4.38Å; P451-Y464 WeakPolarHBondContact O-CD1 3.27Å; P451-Y464 WeakPolarHBondContact O-CE1 3.39Å; L454-Y464 HydrophobicContact CD1-CD1 3.61Å; L454-Y464 HydrophobicContact CD1-CD2 3.41Å; L454-Y464 VanDerWaalsContact CD1-CD2 3.41Å; L454-Y464 HydrophobicContact CD1-CE1 3.45Å; L454-Y464 VanDerWaalsContact CD1-CE1 3.45Å; L454-Y464 HydrophobicContact CD1-CE2 3.31Å; L454-Y464 HydrophobicContact CD1-CG 3.57Å; L454-Y464 HydrophobicContact CG-CD1 4.06Å; L454-Y464 HydrophobicContact CG-CE1 4Å; L454-Y464 HydrophobicContact CG-CG 4.33Å; N462-Y464 WeakPolarHBondContact O-CD2 3.46Å; N462-Y464 PolarHBondContact OD1-N 2.82Å; N462-Y464 PolarHBondContact OD1-O 2.88Å; Y464-E466 PolarHBondContact O-N 3.27Å; Y464-D472 VanDerWaalsContact O-CB 3.27Å; Y464-D472 WeakPolarHBondContact O-CB 3.39Å
465	V	73.8	Confident	69.4	Low	72 Å²	72	46.7 Å²	46.7	44%	0.436	29%	0.291	S	S	.	.			trans	-78.1	98.5	178.5	-174.9	0	0	0	0	109
466	E	71.1	Confident	70	Confident	15 Å²	15	55.2 Å²	55.2	7%	0.07	32%	0.322	C	S	.	.			trans	-94.2	175.2	-176	-65.6	179.8	115.7	0	0	112.8	A458 H459 N462 Y464 G468 E469	A458-E466 VanDerWaalsContact CA-OE2 3.3Å; A458-E466 WeakPolarHBondContact CA-OE2 3.42Å; A458-E466 HydrophobicContact CB-CB 3.62Å; H459-E466 PolarHBondContact N-OE2 3.36Å; N462-E466 PolarHBondContact ND2-OE2 3.14Å; Y464-E466 PolarHBondContact O-N 3.27Å; E466-G468 PolarHBondContact O-N 3.43Å; E466-G468 VanDerWaalsContact O-N 3.13Å; E466-E469 PolarHBondContact N-OE2 2.86Å; E466-E469 PolarHBondContact O-N 3.3Å
467	V	66.9	Low	70.2	Confident	113 Å²	113	57.8 Å²	57.8	69%	0.685	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	117	-177.9	179.6	0	0	0	0	110	A458	A458-V467 WeakPolarHBondContact CB-O 3.2Å
468	G	72.8	Confident	70.6	Confident	79 Å²	79	58.8 Å²	58.8	81%	0.814	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.4	-6.8	-177.3	0	0	0	0	0	113.7	E466	E466-G468 PolarHBondContact O-N 3.43Å; E466-G468 VanDerWaalsContact O-N 3.13Å
469	E	80.8	Confident	71.1	Confident	24 Å²	24	57.8 Å²	57.8	11%	0.112	34%	0.337	C	S	.	.			trans	-105.7	145.7	175	-60.8	179.1	166.1	0	0	110.2	A458 C460 E466 C487	A458-E469 HydrophobicContact CB-CG 4.44Å; C460-E469 WeakPolarHBondContact CA-OE1 3.17Å; C460-E469 WeakPolarHBondContact CB-OE1 3.39Å; C460-E469 PolarHBondContact N-OE1 3.26Å; E466-E469 PolarHBondContact N-OE2 2.86Å; E466-E469 PolarHBondContact O-N 3.3Å; E469-C487 WeakPolarHBondContact CA-O 3.49Å; E469-C487 HydrophobicContact CB-CB 3.99Å; E469-C487 HydrophobicContact CG-CB 3.72Å
470	E	79.3	Confident	71.3	Confident	122 Å²	122	56.7 Å²	56.7	57%	0.57	33%	0.332	S	S	*	.	S	Bend	trans	-101.4	-19.2	174.4	-61.1	177.2	157.1	0	0	111.7	C487 L489	E470-C487 PolarHBondContact N-O 3.09Å; E470-L489 HydrophobicContact CB-CB 4.38Å; E470-L489 HydrophobicContact CB-CD1 4.08Å; E470-L489 HydrophobicContact CB-CG 3.9Å; E470-L489 PolarHBondContact OE2-N 3.48Å
471	C	80.8	Confident	71.3	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.353	C	S	.	.			trans	-156.8	147.2	178.9	55.7	0	0	0	0	110.3	C484 C487 S488 L489 S496	C471-C484 VanDerWaalsContact C-SG 3.56Å; C471-C484 HydrophobicContact CB-CB 3.84Å; C471-C484 WeakPolarHBondContact CB-SG 3.48Å; C471-C484 PolarHBondContact O-SG 2.85Å; C471-C484 WeakPolarHBondContact SG-CA 3.43Å; C471-C484 WeakPolarHBondContact SG-CB 3.49Å; C471-C484 CovalentContact SG-SG 2.04Å; C471-C484 PolarHBondContact SG-SG 2.83Å; C471-C487 CarbonylContact O-C 3.56Å; C471-C487 WeakPolarHBondContact O-CA 3.29Å; C471-C487 WeakPolarHBondContact O-CB 3.4Å; C471-S488 PolarHBondContact SG-O 2.98Å; C471-L489 HydrophobicContact CB-CD2 3.75Å; C471-L489 HydrophobicContact CB-CG 4.11Å; C471-S496 VanDerWaalsContact CB-CB 3.48Å; C471-S496 VanDerWaalsContact CB-OG 3.27Å; C471-S496 WeakPolarHBondContact CB-OG 3.31Å
472	D	76.6	Confident	71.5	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	35%	0.354	C	S	.	.			trans	-150.1	115.2	165.3	-167.1	-21.9	0	0	0	108.6	G461 N462 G463 Y464 G474	G461-D472 VanDerWaalsContact CA-OD1 3.24Å; G461-D472 WeakPolarHBondContact CA-OD1 3.33Å; G461-D472 WeakPolarHBondContact CA-OD2 3.25Å; G461-D472 VanDerWaalsContact N-CG 3.33Å; G461-D472 PolarHBondContact N-OD1 3.02Å; G461-D472 PolarHBondContact N-OD2 2.85Å; N462-D472 PolarHBondContact N-OD1 2.89Å; N462-D472 PolarHBondContact N-OD2 3.14Å; N462-D472 PolarHBondContact OD1-OD2 3.02Å; G463-D472 CarbonylContact C-O 3.57Å; G463-D472 WeakPolarHBondContact CA-O 3.25Å; G463-D472 WeakPolarHBondContact CA-OD1 3.34Å; G463-D472 PolarHBondContact N-OD1 3.25Å; G463-D472 PolarHBondContact N-OD2 3.02Å; Y464-D472 VanDerWaalsContact O-CB 3.27Å; Y464-D472 WeakPolarHBondContact O-CB 3.39Å; D472-G474 PolarHBondContact OD1-N 3.11Å
473	C	74.2	Confident	72.4	Confident	12 Å²	12	62.3 Å²	62.3	8%	0.081	35%	0.348	C	S	.	.			trans	-108.1	15.8	-177.7	37.2	0	0	0	0	112.1	C479 C484 D497	C473-C479 HydrophobicContact CB-CB 3.75Å; C473-C479 WeakPolarHBondContact CB-SG 3.37Å; C473-C479 VanDerWaalsContact SG-CA 3.57Å; C473-C479 WeakPolarHBondContact SG-CB 3.02Å; C473-C479 CovalentContact SG-SG 2Å; C473-C479 PolarHBondContact SG-SG 3.32Å; C473-C484 WeakPolarHBondContact SG-CB 3.26Å; C473-D497 HydrophobicContact CB-CB 4.06Å
474	G	73.6	Confident	73.1	Confident	16 Å²	16	62.8 Å²	62.8	17%	0.165	35%	0.351	C	S	.	.	S	Bend	trans	78.1	-131.7	179.8	0	0	0	0	0	111.3	G461 G463 D472	G461-G474 CarbonylContact C-O 3.6Å; G461-G474 WeakPolarHBondContact CA-O 3.43Å; G461-G474 CarbonylContact O-C 3.51Å; G461-G474 VanDerWaalsContact O-CA 3.3Å; G461-G474 WeakPolarHBondContact O-CA 3.38Å; G463-G474 VanDerWaalsContact CA-N 3.33Å; D472-G474 PolarHBondContact OD1-N 3.11Å
475	L	65.8	Low	73.7	Confident	122 Å²	122	68.2 Å²	68.2	64%	0.639	37%	0.374	S	S	*	.	S	Bend	trans	-63.3	144.5	174.2	-77.8	154.8	0	0	0	110.3	S477 D478 C479	L475-S477 PolarHBondContact O-N 3.17Å; L475-D478 PolarHBondContact O-N 2.04Å; L475-C479 PolarHBondContact O-N 3.43Å
476	R	64.7	Low	74.1	Confident	199 Å²	199	73.9 Å²	73.9	75%	0.751	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.5	-178.4	-165.8	174.4	177	111.9	-2.9	113.7
477	S	61.9	Low	74.7	Confident	95 Å²	95	73.5 Å²	73.5	66%	0.664	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-31.6	172.6	48	0	0	0	0	113.4	L475	L475-S477 PolarHBondContact O-N 3.17Å
478	D	63	Low	75.6	Confident	108 Å²	108	70.8 Å²	70.8	58%	0.578	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-20.7	-169	-53.5	-13.1	0	0	0	110.7	L475	L475-D478 PolarHBondContact O-N 2.04Å
479	C	68.8	Low	76.1	Confident	18 Å²	18	69 Å²	69	12%	0.122	35%	0.349	C	S	.	.	S	Bend	trans	-61.4	135.5	168.7	-58.7	0	0	0	0	113	C473 L475 K481	C473-C479 HydrophobicContact CB-CB 3.75Å; C473-C479 WeakPolarHBondContact CB-SG 3.37Å; C473-C479 VanDerWaalsContact SG-CA 3.57Å; C473-C479 WeakPolarHBondContact SG-CB 3.02Å; C473-C479 CovalentContact SG-SG 2Å; C473-C479 PolarHBondContact SG-SG 3.32Å; L475-C479 PolarHBondContact O-N 3.43Å; C479-K481 PolarHBondContact O-N 2.96Å; C479-K481 VanDerWaalsContact O-N 3.08Å
480	H	71.5	Confident	76.3	Confident	55 Å²	55	68.7 Å²	68.7	26%	0.255	35%	0.352	S	S	.	.			trans	-56.7	120.4	161.6	-70.9	-52.2	0	0	0	109.3	G482 C483 S496	H480-G482 PolarHBondContact O-N 3.02Å; H480-C483 HydrophobicContact CB-CB 4.44Å; H480-C483 VanDerWaalsContact CB-SG 3.53Å; H480-C483 PolarHBondContact O-N 2.99Å; H480-C483 PolarHBondContact O-SG 2.96Å; H480-S496 PolarHBondContact CD2-O 2.85Å
481	K	71.4	Confident	76.5	Confident	211 Å²	211	71.3 Å²	71.3	92%	0.917	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	107.5	-165	-78.4	-177.4	178	174.7	0	111.9	C479	C479-K481 PolarHBondContact O-N 2.96Å; C479-K481 VanDerWaalsContact O-N 3.08Å
482	G	76.6	Confident	76.4	Confident	37 Å²	37	74.4 Å²	74.4	38%	0.381	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	93	-1.2	171.4	0	0	0	0	0	116	H480 A490	H480-G482 PolarHBondContact O-N 3.02Å; G482-A490 WeakPolarHBondContact O-CB 3.36Å
483	C	84.8	Confident	76.9	Confident	0 Å²	0	75 Å²	75	0%	0	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-38.2	177.4	-57.2	0	0	0	0	113	H480 A490 C505	H480-C483 HydrophobicContact CB-CB 4.44Å; H480-C483 VanDerWaalsContact CB-SG 3.53Å; H480-C483 PolarHBondContact O-N 2.99Å; H480-C483 PolarHBondContact O-SG 2.96Å; C483-A490 PolarHBondContact O-N 3.25Å; C483-C505 WeakPolarHBondContact CA-SG 3.33Å; C483-C505 HydrophobicContact CB-CB 3.56Å; C483-C505 WeakPolarHBondContact CB-SG 3.45Å; C483-C505 VanDerWaalsContact SG-CA 3.52Å; C483-C505 WeakPolarHBondContact SG-CB 3.42Å; C483-C505 CovalentContact SG-SG 2.01Å; C483-C505 PolarHBondContact SG-SG 3.37Å
484	C	86.1	Confident	77.5	Confident	15 Å²	15	79.4 Å²	79.4	10%	0.101	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130.1	177.1	-165.3	0	0	0	0	110.4	C471 C473	C471-C484 VanDerWaalsContact C-SG 3.56Å; C471-C484 HydrophobicContact CB-CB 3.84Å; C471-C484 WeakPolarHBondContact CB-SG 3.48Å; C471-C484 PolarHBondContact O-SG 2.85Å; C471-C484 WeakPolarHBondContact SG-CA 3.43Å; C471-C484 WeakPolarHBondContact SG-CB 3.49Å; C471-C484 CovalentContact SG-SG 2.04Å; C471-C484 PolarHBondContact SG-SG 2.83Å; C473-C484 WeakPolarHBondContact SG-CB 3.26Å
485	K	83.4	Confident	78	Confident	118 Å²	118	79 Å²	79	51%	0.513	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	114	177.4	-68.7	-179.7	-174.1	172.2	0	109.3	C487 S488	K485-C487 PolarHBondContact O-N 3.01Å; K485-S488 PolarHBondContact N-O 2.85Å; K485-S488 PolarHBondContact O-N 3.4Å; K485-S488 VanDerWaalsContact O-N 3.17Å
486	K	82.3	Confident	78.8	Confident	191 Å²	191	73.5 Å²	73.5	83%	0.83	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	42.2	-177.6	-55.1	-178.4	176.8	-175.9	0	111.9	S488	K486-S488 PolarHBondContact O-N 3.41Å; K486-S488 VanDerWaalsContact O-N 3.11Å
487	C	83.2	Confident	79.5	Confident	7 Å²	7	65.2 Å²	65.2	5%	0.047	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	25.1	-177.7	-56.7	0	0	0	0	115.8	C460 G461 E469 E470 C471 K485	C460-C487 WeakPolarHBondContact CA-SG 3.49Å; C460-C487 HydrophobicContact CB-CB 3.59Å; C460-C487 WeakPolarHBondContact CB-SG 3.42Å; C460-C487 WeakPolarHBondContact SG-CB 3.27Å; C460-C487 PolarHBondContact SG-N 3.06Å; C460-C487 CovalentContact SG-SG 2.01Å; C460-C487 PolarHBondContact SG-SG 3.33Å; G461-C487 PolarHBondContact N-SG 2.62Å; E469-C487 WeakPolarHBondContact CA-O 3.49Å; E469-C487 HydrophobicContact CB-CB 3.99Å; E469-C487 HydrophobicContact CG-CB 3.72Å; E470-C487 PolarHBondContact N-O 3.09Å; C471-C487 CarbonylContact O-C 3.56Å; C471-C487 WeakPolarHBondContact O-CA 3.29Å; C471-C487 WeakPolarHBondContact O-CB 3.4Å; K485-C487 PolarHBondContact O-N 3.01Å
488	S	85.4	Confident	80.3	Confident	56 Å²	56	61.6 Å²	61.6	39%	0.392	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	143	165.2	-48.9	0	0	0	0	108.8	C471 K485 K486	C471-S488 PolarHBondContact SG-O 2.98Å; K485-S488 PolarHBondContact N-O 2.85Å; K485-S488 PolarHBondContact O-N 3.4Å; K485-S488 VanDerWaalsContact O-N 3.17Å; K486-S488 PolarHBondContact O-N 3.41Å; K486-S488 VanDerWaalsContact O-N 3.11Å
489	L	84.4	Confident	81.2	Confident	41 Å²	41	57.6 Å²	57.6	22%	0.215	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	141.3	177.4	-74.9	167.8	0	0	0	109.1	E470 C471 A493	E470-L489 HydrophobicContact CB-CB 4.38Å; E470-L489 HydrophobicContact CB-CD1 4.08Å; E470-L489 HydrophobicContact CB-CG 3.9Å; E470-L489 PolarHBondContact OE2-N 3.48Å; C471-L489 HydrophobicContact CB-CD2 3.75Å; C471-L489 HydrophobicContact CB-CG 4.11Å; L489-A493 HydrophobicContact CB-CB 4.29Å; L489-A493 HydrophobicContact CD2-CB 4.14Å
490	A	85.2	Confident	82.2	Confident	19 Å²	19	56.8 Å²	56.8	16%	0.157	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-68	156.1	173	0	0	0	0	0	110.7	G482 C483 G492 A493	G482-A490 WeakPolarHBondContact O-CB 3.36Å; C483-A490 PolarHBondContact O-N 3.25Å; A490-G492 PolarHBondContact O-N 3Å; A490-G492 VanDerWaalsContact O-N 3.09Å; A490-A493 HydrophobicContact CB-CB 4.34Å; A490-A493 VanDerWaalsContact O-CB 3.23Å; A490-A493 WeakPolarHBondContact O-CB 3.41Å; A490-A493 PolarHBondContact O-N 3.46Å
491	N	82.3	Confident	82.9	Confident	177 Å²	177	54.5 Å²	54.5	95%	0.947	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	120.5	177.5	-70.7	-13.9	0	0	0	111.3	A493	N491-A493 VanDerWaalsContact C-N 3.34Å
492	G	80	Confident	83.7	Confident	64 Å²	64	46.8 Å²	46.8	66%	0.66	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	1	-178.7	0	0	0	0	0	115.2	A490	A490-G492 PolarHBondContact O-N 3Å; A490-G492 VanDerWaalsContact O-N 3.09Å
493	A	86.4	Confident	84	Confident	13 Å²	13	50 Å²	50	11%	0.107	29%	0.285	C	S	.	.			trans	-83.8	136.3	170.9	0	0	0	0	0	110.4	L489 A490 N491 C505	L489-A493 HydrophobicContact CB-CB 4.29Å; L489-A493 HydrophobicContact CD2-CB 4.14Å; A490-A493 HydrophobicContact CB-CB 4.34Å; A490-A493 VanDerWaalsContact O-CB 3.23Å; A490-A493 WeakPolarHBondContact O-CB 3.41Å; A490-A493 PolarHBondContact O-N 3.46Å; N491-A493 VanDerWaalsContact C-N 3.34Å; A493-C505 CarbonylContact C-O 3.54Å; A493-C505 WeakPolarHBondContact CA-O 3.47Å; A493-C505 HydrophobicContact CB-CB 3.5Å; A493-C505 VanDerWaalsContact CB-CB 3.5Å
494	H	86.4	Confident	84.1	Confident	105 Å²	105	54 Å²	54	49%	0.486	31%	0.31	S	S	.	.	S	Bend	trans	-106.3	-19.5	173.3	-64.7	-173.4	0	0	0	111.7	C505 F507	H494-C505 PolarHBondContact N-O 3.26Å; H494-F507 HydrophobicContact CB-CD1 4.48Å; H494-F507 HydrophobicContact CB-CD2 3.87Å; H494-F507 HydrophobicContact CB-CE1 4.28Å; H494-F507 HydrophobicContact CB-CE2 3.65Å; H494-F507 HydrophobicContact CB-CG 4.28Å; H494-F507 HydrophobicContact CB-CZ 3.87Å; H494-F507 WeakPolarHBondContact O-CE1 3.28Å; H494-F507 WeakPolarHBondContact O-CZ 3.39Å
495	C	85.4	Confident	84.1	Confident	7 Å²	7	54.1 Å²	54.1	5%	0.047	31%	0.311	C	S	.	.			trans	-147.6	162.6	178.9	59.9	0	0	0	0	111.7	C501 C505 L506 F507	C495-C501 VanDerWaalsContact C-SG 3.51Å; C495-C501 HydrophobicContact CB-CB 3.71Å; C495-C501 WeakPolarHBondContact CB-SG 3.33Å; C495-C501 WeakPolarHBondContact SG-CA 3.2Å; C495-C501 WeakPolarHBondContact SG-CB 3.45Å; C495-C501 CovalentContact SG-SG 2.03Å; C495-C501 PolarHBondContact SG-SG 3.37Å; C495-C505 PolarHBondContact N-O 3.32Å; C495-C505 VanDerWaalsContact SG-C 3.53Å; C495-L506 PolarHBondContact SG-O 2.82Å; C495-F507 HydrophobicContact CB-CD1 3.77Å; C495-F507 HydrophobicContact CB-CE1 3.57Å
496	S	82.5	Confident	84.4	Confident	7 Å²	7	52 Å²	52	5%	0.049	30%	0.304	C	S	.	.	S	Bend	trans	-112.2	-40.5	178.2	45	0	0	0	0	114.5	C471 H480	C471-S496 VanDerWaalsContact CB-CB 3.48Å; C471-S496 VanDerWaalsContact CB-OG 3.27Å; C471-S496 WeakPolarHBondContact CB-OG 3.31Å; H480-S496 PolarHBondContact CD2-O 2.85Å
497	D	78.8	Confident	84.6	Confident	25 Å²	25	45.5 Å²	45.5	13%	0.134	28%	0.276	C	S	.	.	S	Bend	trans	-154.3	173.2	-169.8	66.1	-63.3	0	0	0	110.3	R450 C473 C501 Q533	R450-D497 IonicContact NH1-OD2 3.73Å; R450-D497 PolarHBondContact NH1-OD2 3.02Å; C473-D497 HydrophobicContact CB-CB 4.06Å; D497-C501 WeakPolarHBondContact O-CB 3.32Å; D497-Q533 PolarHBondContact OD2-NE2 3.04Å
498	G	79.3	Confident	84.9	Confident	20 Å²	20	47.9 Å²	47.9	21%	0.206	29%	0.285	C	S	.	.	S	Bend	trans	101.9	164.5	175.5	0	0	0	0	0	114.8	C500 C501 G532	G498-C500 PolarHBondContact O-N 3.11Å; G498-C501 PolarHBondContact O-N 3.14Å; G498-C501 VanDerWaalsContact O-N 3.14Å; G498-G532 CarbonylContact C-O 3.57Å; G498-G532 WeakPolarHBondContact CA-O 3.21Å
499	P	82	Confident	84.9	Confident	24 Å²	24	49.5 Å²	49.5	16%	0.156	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.3	-174.1	-23.3	34.9	0	0	0	114.6	C514 C534	P499-C514 HydrophobicContact CB-CB 3.91Å; P499-C534 HydrophobicContact CB-CB 4.33Å; P499-C534 HydrophobicContact CG-CB 4.26Å
500	C	88.6	Confident	84.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	8.2	179.7	-69.3	0	0	0	0	113.3	G498 Y508 C514 C527 S531 G532	G498-C500 PolarHBondContact O-N 3.11Å; C500-Y508 PolarHBondContact O-N 3.48Å; C500-C514 VanDerWaalsContact SG-CB 3.52Å; C500-C527 WeakPolarHBondContact CA-SG 2.92Å; C500-C527 HydrophobicContact CB-CB 3.76Å; C500-C527 WeakPolarHBondContact CB-SG 2.83Å; C500-C527 WeakPolarHBondContact SG-CA 3.4Å; C500-C527 WeakPolarHBondContact SG-CB 3.47Å; C500-C527 CovalentContact SG-SG 2.03Å; C500-C527 PolarHBondContact SG-SG 3.46Å; C500-S531 VanDerWaalsContact CB-O 3.26Å; C500-S531 WeakPolarHBondContact CB-O 3.37Å; C500-G532 CarbonylContact C-O 3.55Å; C500-G532 WeakPolarHBondContact CA-O 3.43Å; C500-G532 WeakPolarHBondContact CB-O 3.42Å; C500-G532 PolarHBondContact N-O 2.85Å
501	C	87.4	Confident	84.7	Confident	7 Å²	7	54.3 Å²	54.3	5%	0.047	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-103.2	129.3	174.4	-167	0	0	0	0	111.8	C495 D497 G498 G532	C495-C501 VanDerWaalsContact C-SG 3.51Å; C495-C501 HydrophobicContact CB-CB 3.71Å; C495-C501 WeakPolarHBondContact CB-SG 3.33Å; C495-C501 WeakPolarHBondContact SG-CA 3.2Å; C495-C501 WeakPolarHBondContact SG-CB 3.45Å; C495-C501 CovalentContact SG-SG 2.03Å; C495-C501 PolarHBondContact SG-SG 3.37Å; D497-C501 WeakPolarHBondContact O-CB 3.32Å; G498-C501 PolarHBondContact O-N 3.14Å; G498-C501 VanDerWaalsContact O-N 3.14Å; C501-G532 PolarHBondContact N-O 2.97Å
502	N	87.4	Confident	84.9	Confident	50 Å²	50	49.8 Å²	49.8	27%	0.267	29%	0.285	S	S	.	.			trans	-81.6	156.3	173.4	-168.7	-7.9	0	0	0	110.6	T504 C505 L506 Y508	N502-T504 PolarHBondContact O-N 3.39Å; N502-C505 PolarHBondContact O-N 2.86Å; N502-L506 VanDerWaalsContact CB-O 3.28Å; N502-L506 WeakPolarHBondContact CB-O 3.03Å; N502-L506 PolarHBondContact N-O 2.98Å; N502-Y508 HydrophobicContact CB-CE1 4.41Å; N502-Y508 HydrophobicContact CB-CE2 4.33Å
503	V	83.6	Confident	85.3	Confident	104 Å²	104	48 Å²	48	63%	0.63	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-17	176.5	-61.3	0	0	0	0	113.8	C505	V503-C505 VanDerWaalsContact C-N 3.3Å
504	T	85.6	Confident	85.2	Confident	83 Å²	83	48.3 Å²	48.3	51%	0.509	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	13.7	173.6	62.9	0	0	0	0	113.5	N502 L506	N502-T504 PolarHBondContact O-N 3.39Å; T504-L506 VanDerWaalsContact C-N 3.27Å; T504-L506 PolarHBondContact O-N 2.81Å
505	C	87.1	Confident	85.2	Confident	18 Å²	18	44.1 Å²	44.1	12%	0.122	24%	0.243	C	C	.	.	S	Bend	trans	65.9	22.4	179.2	-34.1	0	0	0	0	114.9	C483 A493 H494 C495 N502 V503	C483-C505 WeakPolarHBondContact CA-SG 3.33Å; C483-C505 HydrophobicContact CB-CB 3.56Å; C483-C505 WeakPolarHBondContact CB-SG 3.45Å; C483-C505 VanDerWaalsContact SG-CA 3.52Å; C483-C505 WeakPolarHBondContact SG-CB 3.42Å; C483-C505 CovalentContact SG-SG 2.01Å; C483-C505 PolarHBondContact SG-SG 3.37Å; A493-C505 CarbonylContact C-O 3.54Å; A493-C505 WeakPolarHBondContact CA-O 3.47Å; A493-C505 HydrophobicContact CB-CB 3.5Å; A493-C505 VanDerWaalsContact CB-CB 3.5Å; H494-C505 PolarHBondContact N-O 3.26Å; C495-C505 PolarHBondContact N-O 3.32Å; C495-C505 VanDerWaalsContact SG-C 3.53Å; N502-C505 PolarHBondContact O-N 2.86Å; V503-C505 VanDerWaalsContact C-N 3.3Å
506	L	88.8	Confident	85.2	Confident	73 Å²	73	48.7 Å²	48.7	38%	0.382	26%	0.26	S	S	.	.			trans	-113	147.9	178.7	-63	176.9	0	0	0	110.1	C495 N502 T504	C495-L506 PolarHBondContact SG-O 2.82Å; N502-L506 VanDerWaalsContact CB-O 3.28Å; N502-L506 WeakPolarHBondContact CB-O 3.03Å; N502-L506 PolarHBondContact N-O 2.98Å; T504-L506 VanDerWaalsContact C-N 3.27Å; T504-L506 PolarHBondContact O-N 2.81Å
507	F	87.7	Confident	85.4	Confident	55 Å²	55	50.5 Å²	50.5	24%	0.241	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-61.5	141.5	173.4	-58.4	-48.6	0	0	0	110.8	H494 C495 G529 D530 S531 G532	H494-F507 HydrophobicContact CB-CD1 4.48Å; H494-F507 HydrophobicContact CB-CD2 3.87Å; H494-F507 HydrophobicContact CB-CE1 4.28Å; H494-F507 HydrophobicContact CB-CE2 3.65Å; H494-F507 HydrophobicContact CB-CG 4.28Å; H494-F507 HydrophobicContact CB-CZ 3.87Å; H494-F507 WeakPolarHBondContact O-CE1 3.28Å; H494-F507 WeakPolarHBondContact O-CZ 3.39Å; C495-F507 HydrophobicContact CB-CD1 3.77Å; C495-F507 HydrophobicContact CB-CE1 3.57Å; F507-G529 VanDerWaalsContact CD2-O 3.31Å; F507-G529 WeakPolarHBondContact CD2-O 3.37Å; F507-D530 VanDerWaalsContact CE2-C 3.49Å; F507-D530 WeakPolarHBondContact CE2-O 3.38Å; F507-D530 VanDerWaalsContact CZ-O 3.28Å; F507-D530 WeakPolarHBondContact CZ-O 3.17Å; F507-S531 WeakPolarHBondContact CD1-O 3.44Å; F507-G532 VanDerWaalsContact CE1-N 3.29Å
508	Y	88.5	Confident	85.7	Confident	58 Å²	58	51 Å²	51	23%	0.227	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-62.3	145.3	161	-81.9	-67.3	0	0	0	109.9	C500 N502 Y512	C500-Y508 PolarHBondContact O-N 3.48Å; N502-Y508 HydrophobicContact CB-CE1 4.41Å; N502-Y508 HydrophobicContact CB-CE2 4.33Å; Y508-Y512 HydrophobicContact CD1-CD1 4.08Å; Y508-Y512 AromaticContact CD1-CD2 3.72Å; Y508-Y512 HydrophobicContact CD1-CD2 3.72Å; Y508-Y512 HydrophobicContact CD1-CE1 4.1Å; Y508-Y512 AromaticContact CD1-CE2 3.74Å; Y508-Y512 HydrophobicContact CD1-CE2 3.74Å; Y508-Y512 AromaticContact CD1-CG 3.9Å; Y508-Y512 HydrophobicContact CD1-CG 3.9Å; Y508-Y512 AromaticContact CD1-CZ 3.93Å; Y508-Y512 AromaticContact CD2-CD1 3.94Å; Y508-Y512 HydrophobicContact CD2-CD1 3.94Å; Y508-Y512 AromaticContact CD2-CE1 3.82Å; Y508-Y512 HydrophobicContact CD2-CE1 3.82Å; Y508-Y512 HydrophobicContact CE1-CD2 4.25Å; Y508-Y512 HydrophobicContact CE1-CE1 4.26Å; Y508-Y512 AromaticContact CE1-CE2 3.79Å; Y508-Y512 HydrophobicContact CE1-CE2 3.79Å; Y508-Y512 AromaticContact CE1-CZ 3.79Å; Y508-Y512 HydrophobicContact CE2-CE1 4Å; Y508-Y512 AromaticContact CG-CD1 3.67Å; Y508-Y512 HydrophobicContact CG-CD1 3.67Å; Y508-Y512 HydrophobicContact CG-CD2 4.13Å; Y508-Y512 AromaticContact CG-CE1 3.88Å; Y508-Y512 HydrophobicContact CG-CE1 3.88Å; Y508-Y512 HydrophobicContact CG-CE2 4.32Å; Y508-Y512 AromaticContact CG-CG 3.8Å; Y508-Y512 HydrophobicContact CG-CG 3.8Å; Y508-Y512 AromaticContact CZ-CZ 3.92Å
509	P	85.4	Confident	85.9	Confident	90 Å²	90	51.3 Å²	51.3	58%	0.584	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-62.3	153.1	-179.2	27.4	-34.4	0	0	0	110.9	G511 Y512	P509-G511 PolarHBondContact O-N 3.38Å; P509-Y512 VanDerWaalsContact O-CB 3.24Å; P509-Y512 WeakPolarHBondContact O-CB 3.1Å; P509-Y512 PolarHBondContact O-N 2.89Å
510	R	84.1	Confident	86.2	Confident	130 Å²	130	52.2 Å²	52.2	49%	0.491	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	134	174.4	-176.8	178.8	167.7	100.7	-3.4	110.4	C527 T528 D726	R510-C527 VanDerWaalsContact CA-O 3.28Å; R510-C527 WeakPolarHBondContact CA-O 3.38Å; R510-T528 WeakPolarHBondContact CB-O 3.39Å; R510-T528 WeakPolarHBondContact CG-O 3.06Å; R510-D726 IonicContact CZ-OD2 2.86Å; R510-D726 IonicContact NE-OD2 3.82Å; R510-D726 IonicContact NH2-OD2 2.89Å
511	G	82	Confident	86.4	Confident	30 Å²	30	52.2 Å²	52.2	31%	0.309	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	-4.2	-178.2	0	0	0	0	0	114.8	P509 S513 C527	P509-G511 PolarHBondContact O-N 3.38Å; G511-S513 PolarHBondContact O-N 2.93Å; G511-C527 PolarHBondContact N-O 2.83Å
512	Y	86.6	Confident	86.5	Confident	82 Å²	82	52.3 Å²	52.3	32%	0.322	28%	0.28	S	S	.	.			trans	-65.7	124.4	170	-175.7	-91	0	0	0	110.4	Y508 P509 C514 T526 C527	Y508-Y512 HydrophobicContact CD1-CD1 4.08Å; Y508-Y512 AromaticContact CD1-CD2 3.72Å; Y508-Y512 HydrophobicContact CD1-CD2 3.72Å; Y508-Y512 HydrophobicContact CD1-CE1 4.1Å; Y508-Y512 AromaticContact CD1-CE2 3.74Å; Y508-Y512 HydrophobicContact CD1-CE2 3.74Å; Y508-Y512 AromaticContact CD1-CG 3.9Å; Y508-Y512 HydrophobicContact CD1-CG 3.9Å; Y508-Y512 AromaticContact CD1-CZ 3.93Å; Y508-Y512 AromaticContact CD2-CD1 3.94Å; Y508-Y512 HydrophobicContact CD2-CD1 3.94Å; Y508-Y512 AromaticContact CD2-CE1 3.82Å; Y508-Y512 HydrophobicContact CD2-CE1 3.82Å; Y508-Y512 HydrophobicContact CE1-CD2 4.25Å; Y508-Y512 HydrophobicContact CE1-CE1 4.26Å; Y508-Y512 AromaticContact CE1-CE2 3.79Å; Y508-Y512 HydrophobicContact CE1-CE2 3.79Å; Y508-Y512 AromaticContact CE1-CZ 3.79Å; Y508-Y512 HydrophobicContact CE2-CE1 4Å; Y508-Y512 AromaticContact CG-CD1 3.67Å; Y508-Y512 HydrophobicContact CG-CD1 3.67Å; Y508-Y512 HydrophobicContact CG-CD2 4.13Å; Y508-Y512 AromaticContact CG-CE1 3.88Å; Y508-Y512 HydrophobicContact CG-CE1 3.88Å; Y508-Y512 HydrophobicContact CG-CE2 4.32Å; Y508-Y512 AromaticContact CG-CG 3.8Å; Y508-Y512 HydrophobicContact CG-CG 3.8Å; Y508-Y512 AromaticContact CZ-CZ 3.92Å; P509-Y512 VanDerWaalsContact O-CB 3.24Å; P509-Y512 WeakPolarHBondContact O-CB 3.1Å; P509-Y512 PolarHBondContact O-N 2.89Å; Y512-C514 PolarHBondContact O-N 3.3Å; Y512-T526 CarbonylContact O-C 3.48Å; Y512-T526 WeakPolarHBondContact O-CA 3.31Å; Y512-C527 PolarHBondContact O-N 2.95Å; Y512-C527 PolarHBondContact O-SG 3.41Å
513	S	86.9	Confident	86.7	Confident	27 Å²	27	50.7 Å²	50.7	19%	0.189	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	115.1	-178.1	-175.7	0	0	0	0	110.9	G511 R515 E525	G511-S513 PolarHBondContact O-N 2.93Å; S513-R515 PolarHBondContact OG-O 2.65Å; S513-E525 WeakPolarHBondContact CA-O 3.5Å
514	C	86.3	Confident	86.9	Confident	20 Å²	20	48.6 Å²	48.6	14%	0.135	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-31.9	176.7	47.7	0	0	0	0	112.6	P499 C500 Y512 E525 C534	P499-C514 HydrophobicContact CB-CB 3.91Å; C500-C514 VanDerWaalsContact SG-CB 3.52Å; Y512-C514 PolarHBondContact O-N 3.3Å; C514-E525 PolarHBondContact N-O 3.42Å; C514-E525 VanDerWaalsContact N-O 3.1Å; C514-C534 HydrophobicContact CB-CB 3.71Å; C514-C534 WeakPolarHBondContact CB-SG 3.31Å; C514-C534 VanDerWaalsContact SG-CA 3.54Å; C514-C534 WeakPolarHBondContact SG-CB 3.44Å; C514-C534 CovalentContact SG-SG 2.04Å; C514-C534 PolarHBondContact SG-SG 2.62Å
515	R	86.1	Confident	87	Confident	16 Å²	16	45.2 Å²	45.2	6%	0.06	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	138.1	172.1	-167.3	-172.4	73.9	85.8	5.9	109.8	S513 D522 I523 E525 N537	S513-R515 PolarHBondContact OG-O 2.65Å; R515-D522 IonicContact CZ-OD1 3.47Å; R515-D522 IonicContact CZ-OD2 3.26Å; R515-D522 IonicContact NH1-OD1 3Å; R515-D522 IonicContact NH1-OD2 2.72Å; R515-D522 PolarHBondContact NH1-OD2 3.32Å; R515-D522 VanDerWaalsContact NH2-CG 3.33Å; R515-D522 IonicContact NH2-OD1 3.74Å; R515-D522 PolarHBondContact NH2-OD1 2.89Å; R515-D522 IonicContact NH2-OD2 2.77Å; R515-D522 PolarHBondContact NH2-OD2 3.07Å; R515-I523 PolarHBondContact NH2-O 2.85Å; R515-E525 HydrophobicContact CB-CB 4.41Å; R515-E525 WeakPolarHBondContact CB-OE2 3.43Å; R515-E525 IonicContact CZ-OE1 2.78Å; R515-E525 IonicContact CZ-OE2 3.63Å; R515-E525 PolarHBondContact N-O 2.78Å; R515-E525 VanDerWaalsContact NE-CD 3.34Å; R515-E525 IonicContact NE-OE1 2.61Å; R515-E525 IonicContact NE-OE2 3.25Å; R515-E525 PolarHBondContact NE-OE2 2.84Å; R515-E525 IonicContact NH2-OE1 2.65Å; R515-E525 PolarHBondContact NH2-OE1 3.31Å; R515-E525 IonicContact NH2-OE2 2.93Å; R515-E525 PolarHBondContact NH2-OE2 3.03Å; R515-E525 PolarHBondContact O-N 3.31Å; R515-N537 PolarHBondContact NH2-OD1 2.75Å
516	Y	84.4	Confident	87.1	Confident	103 Å²	103	47 Å²	47	40%	0.404	25%	0.25	S	S	.	.			trans	-97.1	141.9	177.9	-67.6	-92.6	0	0	0	109.8	P246 V518	P246-Y516 VanDerWaalsContact CD-CE2 3.41Å; P246-Y516 HydrophobicContact CG-CE2 3.99Å; Y516-V518 PolarHBondContact O-N 2.83Å
517	A	86.6	Confident	87	Confident	45 Å²	45	43.5 Å²	43.5	37%	0.372	23%	0.232	S	C	.	.			trans	-57.9	126.7	174.9	0	0	0	0	0	110.8	D522	A517-D522 VanDerWaalsContact CA-OD2 3.3Å; A517-D522 WeakPolarHBondContact CA-OD2 3.14Å; A517-D522 HydrophobicContact CB-CB 4.01Å
518	V	84.6	Confident	86.8	Confident	36 Å²	36	43.4 Å²	43.4	22%	0.218	24%	0.236	C	C	.	.	S	Bend	trans	-76.1	-26.5	-179.3	-57.2	0	0	0	0	112.3	A249 Y516 D522	A249-V518 HydrophobicContact CB-CG1 4.24Å; Y516-V518 PolarHBondContact O-N 2.83Å; V518-D522 HydrophobicContact CG2-CB 4.12Å; V518-D522 WeakPolarHBondContact CG2-OD2 3.48Å; V518-D522 PolarHBondContact N-OD2 2.97Å
519	N	84.2	Confident	86.7	Confident	27 Å²	27	42 Å²	42	14%	0.144	24%	0.239	C	C	.	.	S	Bend	trans	-150.4	-178.2	-179.9	69	45.4	0	0	0	111.7	K441 G442 C521 D522 G556	K441-N519 PolarHBondContact O-ND2 2.8Å; G442-N519 PolarHBondContact N-ND2 2.94Å; N519-C521 PolarHBondContact O-N 3.37Å; N519-C521 VanDerWaalsContact OD1-CA 3.24Å; N519-C521 WeakPolarHBondContact OD1-CA 3.22Å; N519-C521 VanDerWaalsContact OD1-CB 3.28Å; N519-C521 WeakPolarHBondContact OD1-CB 3.29Å; N519-C521 PolarHBondContact OD1-N 2.86Å; N519-D522 PolarHBondContact O-N 2.84Å; N519-D522 PolarHBondContact OD1-N 2.86Å; N519-G556 PolarHBondContact ND2-O 3.36Å
520	D	89.1	Confident	86.6	Confident	42 Å²	42	43.3 Å²	43.3	23%	0.225	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-17.8	-179.2	-81.2	-0.5	0	0	0	114.3	R239 K540 C546 Q547	R239-D520 IonicContact CZ-OD1 3.14Å; R239-D520 IonicContact CZ-OD2 3.75Å; R239-D520 VanDerWaalsContact CZ-OD2 3.26Å; R239-D520 IonicContact NH1-OD1 3.75Å; R239-D520 PolarHBondContact NH1-OD1 3.06Å; R239-D520 IonicContact NH1-OD2 3.64Å; R239-D520 PolarHBondContact NH1-OD2 3.42Å; R239-D520 IonicContact NH2-OD2 3.66Å; R239-D520 PolarHBondContact NH2-OD2 3.17Å; D520-K540 VanDerWaalsContact O-CE 3.31Å; D520-K540 WeakPolarHBondContact O-CE 3.39Å; D520-K540 PolarHBondContact O-NZ 2.78Å; D520-C546 HydrophobicContact CB-CB 3.75Å; D520-Q547 PolarHBondContact OD2-N 2.91Å
521	C	91.4	Very high	86.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-10.6	-179.2	-65.1	0	0	0	0	113.5	N519 H539 K540 C546 C553 G556	N519-C521 PolarHBondContact O-N 3.37Å; N519-C521 VanDerWaalsContact OD1-CA 3.24Å; N519-C521 WeakPolarHBondContact OD1-CA 3.22Å; N519-C521 VanDerWaalsContact OD1-CB 3.28Å; N519-C521 WeakPolarHBondContact OD1-CB 3.29Å; N519-C521 PolarHBondContact OD1-N 2.86Å; C521-H539 WeakPolarHBondContact O-CB 3.36Å; C521-K540 WeakPolarHBondContact O-CB 3.41Å; C521-K540 WeakPolarHBondContact O-CG 3.5Å; C521-K540 PolarHBondContact O-N 3.01Å; C521-C546 VanDerWaalsContact SG-CB 3.6Å; C521-C553 WeakPolarHBondContact CA-SG 3.46Å; C521-C553 HydrophobicContact CB-CB 3.62Å; C521-C553 WeakPolarHBondContact CB-SG 3.36Å; C521-C553 WeakPolarHBondContact SG-CA 3.32Å; C521-C553 WeakPolarHBondContact SG-CB 3.34Å; C521-C553 CovalentContact SG-SG 2.03Å; C521-C553 PolarHBondContact SG-SG 3.06Å; C521-G556 WeakPolarHBondContact CB-O 3.25Å
522	D	90.6	Very high	86.7	Confident	9 Å²	9	38.2 Å²	38.2	5%	0.048	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-86	155.6	174.8	-166.8	17	0	0	0	110.8	R515 A517 V518 N519	R515-D522 IonicContact CZ-OD1 3.47Å; R515-D522 IonicContact CZ-OD2 3.26Å; R515-D522 IonicContact NH1-OD1 3Å; R515-D522 IonicContact NH1-OD2 2.72Å; R515-D522 PolarHBondContact NH1-OD2 3.32Å; R515-D522 VanDerWaalsContact NH2-CG 3.33Å; R515-D522 IonicContact NH2-OD1 3.74Å; R515-D522 PolarHBondContact NH2-OD1 2.89Å; R515-D522 IonicContact NH2-OD2 2.77Å; R515-D522 PolarHBondContact NH2-OD2 3.07Å; A517-D522 VanDerWaalsContact CA-OD2 3.3Å; A517-D522 WeakPolarHBondContact CA-OD2 3.14Å; A517-D522 HydrophobicContact CB-CB 4.01Å; V518-D522 HydrophobicContact CG2-CB 4.12Å; V518-D522 WeakPolarHBondContact CG2-OD2 3.48Å; V518-D522 PolarHBondContact N-OD2 2.97Å; N519-D522 PolarHBondContact O-N 2.84Å; N519-D522 PolarHBondContact OD1-N 2.86Å
523	I	90.5	Very high	86.5	Confident	16 Å²	16	37.4 Å²	37.4	8%	0.082	22%	0.221	C	C	.	.			trans	-108	137.6	176.1	-57.2	173.2	0	0	0	107.7	R515 E525 L538 K540 V704 N706 T712	R515-I523 PolarHBondContact NH2-O 2.85Å; I523-E525 VanDerWaalsContact O-OE1 3.1Å; I523-L538 VanDerWaalsContact CB-O 3.32Å; I523-L538 WeakPolarHBondContact CB-O 3.39Å; I523-L538 PolarHBondContact N-O 3.41Å; I523-K540 HydrophobicContact CD1-CG 4.33Å; I523-K540 HydrophobicContact CG1-CG 3.82Å; I523-V704 HydrophobicContact CD1-CG1 4.24Å; I523-N706 HydrophobicContact CD1-CB 3.7Å; I523-T712 HydrophobicContact CG2-CG2 3.98Å
524	S	88.9	Confident	86.4	Confident	61 Å²	61	37.2 Å²	37.2	43%	0.427	22%	0.22	S	C	.	.			trans	-80.9	125.7	173.7	57.1	0	0	0	0	110.4
525	E	87.8	Confident	86.4	Confident	12 Å²	12	38.2 Å²	38.2	6%	0.056	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	140.5	177.2	-66.6	70.2	-161	0	0	110.8	S513 C514 R515 I523 C534 P535 N537 L538	S513-E525 WeakPolarHBondContact CA-O 3.5Å; C514-E525 PolarHBondContact N-O 3.42Å; C514-E525 VanDerWaalsContact N-O 3.1Å; R515-E525 HydrophobicContact CB-CB 4.41Å; R515-E525 WeakPolarHBondContact CB-OE2 3.43Å; R515-E525 IonicContact CZ-OE1 2.78Å; R515-E525 IonicContact CZ-OE2 3.63Å; R515-E525 PolarHBondContact N-O 2.78Å; R515-E525 VanDerWaalsContact NE-CD 3.34Å; R515-E525 IonicContact NE-OE1 2.61Å; R515-E525 IonicContact NE-OE2 3.25Å; R515-E525 PolarHBondContact NE-OE2 2.84Å; R515-E525 IonicContact NH2-OE1 2.65Å; R515-E525 PolarHBondContact NH2-OE1 3.31Å; R515-E525 IonicContact NH2-OE2 2.93Å; R515-E525 PolarHBondContact NH2-OE2 3.03Å; R515-E525 PolarHBondContact O-N 3.31Å; I523-E525 VanDerWaalsContact O-OE1 3.1Å; E525-C534 VanDerWaalsContact CB-SG 3.55Å; E525-P535 HydrophobicContact CG-CB 4.37Å; E525-N537 WeakPolarHBondContact OE1-CA 3.13Å; E525-L538 PolarHBondContact OE1-N 2.99Å; E525-L538 VanDerWaalsContact OE1-N 3.1Å
526	T	88.3	Confident	86.4	Confident	55 Å²	55	41.2 Å²	41.2	34%	0.337	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.9	178	60.7	0	0	0	0	109.6	Y512 T528 P535	Y512-T526 CarbonylContact O-C 3.48Å; Y512-T526 WeakPolarHBondContact O-CA 3.31Å; T526-T528 PolarHBondContact O-N 3.18Å; T526-P535 WeakPolarHBondContact O-CD 3.38Å; T526-P535 VanDerWaalsContact O-CG 3.28Å; T526-P535 WeakPolarHBondContact O-CG 3.27Å
527	C	87.6	Confident	86.4	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.233	C	C	.	.			trans	-56.8	137	175.7	-59	0	0	0	0	109.6	C500 R510 G511 Y512 G529	C500-C527 WeakPolarHBondContact CA-SG 2.92Å; C500-C527 HydrophobicContact CB-CB 3.76Å; C500-C527 WeakPolarHBondContact CB-SG 2.83Å; C500-C527 WeakPolarHBondContact SG-CA 3.4Å; C500-C527 WeakPolarHBondContact SG-CB 3.47Å; C500-C527 CovalentContact SG-SG 2.03Å; C500-C527 PolarHBondContact SG-SG 3.46Å; R510-C527 VanDerWaalsContact CA-O 3.28Å; R510-C527 WeakPolarHBondContact CA-O 3.38Å; G511-C527 PolarHBondContact N-O 2.83Å; Y512-C527 PolarHBondContact O-N 2.95Å; Y512-C527 PolarHBondContact O-SG 3.41Å; C527-G529 PolarHBondContact O-N 2.74Å
528	T	84	Confident	86.6	Confident	52 Å²	52	36.2 Å²	36.2	32%	0.319	22%	0.222	S	C	.	.			trans	-72.8	-22	178.1	50.3	0	0	0	0	112.2	R510 T526 D530 P535	R510-T528 WeakPolarHBondContact CB-O 3.39Å; R510-T528 WeakPolarHBondContact CG-O 3.06Å; T526-T528 PolarHBondContact O-N 3.18Å; T528-D530 WeakPolarHBondContact CB-OD1 3.37Å; T528-D530 PolarHBondContact OG1-OD1 3.28Å; T528-P535 HydrophobicContact CG2-CG 4.08Å
529	G	84.9	Confident	86.9	Confident	28 Å²	28	35.4 Å²	35.4	29%	0.289	22%	0.215	S	C	.	.	S	Bend	trans	91.7	-3.3	-177.2	0	0	0	0	0	114.2	F507 C527	F507-G529 VanDerWaalsContact CD2-O 3.31Å; F507-G529 WeakPolarHBondContact CD2-O 3.37Å; C527-G529 PolarHBondContact O-N 2.74Å
530	D	84	Confident	87.3	Confident	118 Å²	118	36.4 Å²	36.4	63%	0.631	22%	0.218	S	C	*	.	S	Bend	trans	-129.6	6.8	-177.3	62.6	-4.4	0	0	0	113.3	F507 T528	F507-D530 VanDerWaalsContact CE2-C 3.49Å; F507-D530 WeakPolarHBondContact CE2-O 3.38Å; F507-D530 VanDerWaalsContact CZ-O 3.28Å; F507-D530 WeakPolarHBondContact CZ-O 3.17Å; T528-D530 WeakPolarHBondContact CB-OD1 3.37Å; T528-D530 PolarHBondContact OG1-OD1 3.28Å
531	S	85.3	Confident	87.4	Confident	44 Å²	44	36.1 Å²	36.1	31%	0.308	22%	0.216	S	C	.	.			trans	-136.5	144.8	177.7	-180	0	0	0	0	111.2	C500 F507 Q533	C500-S531 VanDerWaalsContact CB-O 3.26Å; C500-S531 WeakPolarHBondContact CB-O 3.37Å; F507-S531 WeakPolarHBondContact CD1-O 3.44Å; S531-Q533 VanDerWaalsContact C-N 3.34Å; S531-Q533 PolarHBondContact OG-N 2.8Å; S531-Q533 VanDerWaalsContact OG-N 3.16Å; S531-Q533 PolarHBondContact OG-O 3.03Å
532	G	82.3	Confident	87.3	Confident	10 Å²	10	37.8 Å²	37.8	10%	0.103	23%	0.225	C	C	.	.	S	Bend	trans	-80	-16.9	172.2	0	0	0	0	0	113.1	G498 C500 C501 F507	G498-G532 CarbonylContact C-O 3.57Å; G498-G532 WeakPolarHBondContact CA-O 3.21Å; C500-G532 CarbonylContact C-O 3.55Å; C500-G532 WeakPolarHBondContact CA-O 3.43Å; C500-G532 WeakPolarHBondContact CB-O 3.42Å; C500-G532 PolarHBondContact N-O 2.85Å; C501-G532 PolarHBondContact N-O 2.97Å; F507-G532 VanDerWaalsContact CE1-N 3.29Å
533	Q	82.4	Confident	87.3	Confident	64 Å²	64	37.9 Å²	37.9	30%	0.299	23%	0.228	S	C	.	.	S	Bend	trans	-94.9	150.7	178.5	-59.3	-58.7	-24.6	0	0	111.4	D497 S531	D497-Q533 PolarHBondContact OD2-NE2 3.04Å; S531-Q533 VanDerWaalsContact C-N 3.34Å; S531-Q533 PolarHBondContact OG-N 2.8Å; S531-Q533 VanDerWaalsContact OG-N 3.16Å; S531-Q533 PolarHBondContact OG-O 3.03Å
534	C	85.3	Confident	87.3	Confident	23 Å²	23	40.7 Å²	40.7	16%	0.155	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-72.3	144.7	171.9	-161.8	0	0	0	0	109.4	P499 C514 E525	P499-C534 HydrophobicContact CB-CB 4.33Å; P499-C534 HydrophobicContact CG-CB 4.26Å; C514-C534 HydrophobicContact CB-CB 3.71Å; C514-C534 WeakPolarHBondContact CB-SG 3.31Å; C514-C534 VanDerWaalsContact SG-CA 3.54Å; C514-C534 WeakPolarHBondContact SG-CB 3.44Å; C514-C534 CovalentContact SG-SG 2.04Å; C514-C534 PolarHBondContact SG-SG 2.62Å; E525-C534 VanDerWaalsContact CB-SG 3.55Å
535	P	86.7	Confident	87.4	Confident	41 Å²	41	42.2 Å²	42.2	27%	0.266	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-55.2	159.6	171.5	-26.6	35.6	0	0	0	112.8	E525 T526 T528	E525-P535 HydrophobicContact CG-CB 4.37Å; T526-P535 WeakPolarHBondContact O-CD 3.38Å; T526-P535 VanDerWaalsContact O-CG 3.28Å; T526-P535 WeakPolarHBondContact O-CG 3.27Å; T528-P535 HydrophobicContact CG2-CG 4.08Å
536	P	85	Confident	87.6	Confident	79 Å²	79	41.8 Å²	41.8	51%	0.513	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-52.3	142.8	175	-25.3	34.4	0	0	0	112.2	L538	P536-L538 PolarHBondContact O-N 3.12Å
537	N	85.8	Confident	87.5	Confident	18 Å²	18	41.1 Å²	41.1	10%	0.096	23%	0.231	C	C	.	.			trans	-69.5	112.4	176.9	177.7	-4.9	0	0	0	109.9	F448 R515 E525	F448-N537 HydrophobicContact CB-CB 3.71Å; F448-N537 HydrophobicContact CD2-CB 3.92Å; F448-N537 WeakPolarHBondContact CD2-ND2 3.22Å; F448-N537 VanDerWaalsContact CE2-ND2 3.31Å; F448-N537 WeakPolarHBondContact CE2-ND2 3.24Å; F448-N537 HydrophobicContact CG-CB 3.95Å; R515-N537 PolarHBondContact NH2-OD1 2.75Å; E525-N537 WeakPolarHBondContact OE1-CA 3.13Å
538	L	90.1	Very high	87.3	Confident	26 Å²	26	46.5 Å²	46.5	14%	0.136	26%	0.263	C	S	.	.			trans	-117.2	146.3	-179.5	-65	175.5	0	0	0	110	I523 E525 P536 N706 N707 E708	I523-L538 VanDerWaalsContact CB-O 3.32Å; I523-L538 WeakPolarHBondContact CB-O 3.39Å; I523-L538 PolarHBondContact N-O 3.41Å; E525-L538 PolarHBondContact OE1-N 2.99Å; E525-L538 VanDerWaalsContact OE1-N 3.1Å; P536-L538 PolarHBondContact O-N 3.12Å; L538-N706 HydrophobicContact CB-CB 4.22Å; L538-N706 HydrophobicContact CD1-CB 4.36Å; L538-N707 WeakPolarHBondContact CD2-OD1 3.48Å; L538-E708 HydrophobicContact CD2-CG 3.96Å
539	H	90.4	Very high	87.1	Confident	18 Å²	18	49.7 Å²	49.7	8%	0.083	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-117	164.1	174.4	65.4	81.6	0	0	0	110.8	C521 G556 N706 N707	C521-H539 WeakPolarHBondContact O-CB 3.36Å; H539-G556 PolarHBondContact CE1-N 3.44Å; H539-G556 VanDerWaalsContact CE1-N 3.34Å; H539-G556 PolarHBondContact ND1-N 2.85Å; H539-N706 CarbonylContact O-C 3.46Å; H539-N706 VanDerWaalsContact O-CA 3.25Å; H539-N706 WeakPolarHBondContact O-CA 3.47Å; H539-N707 WeakPolarHBondContact CE1-CB 3.44Å; H539-N707 PolarHBondContact N-OD1 3.37Å; H539-N707 PolarHBondContact O-N 3.25Å; H539-N707 PolarHBondContact O-OD1 3.34Å
540	K	92.1	Very high	87.1	Confident	49 Å²	49	54.9 Å²	54.9	21%	0.213	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-60.7	145.4	176.9	-61.5	-175.3	-174.9	170.3	0	109.5	D520 C521 I523 Y544 V704	D520-K540 VanDerWaalsContact O-CE 3.31Å; D520-K540 WeakPolarHBondContact O-CE 3.39Å; D520-K540 PolarHBondContact O-NZ 2.78Å; C521-K540 WeakPolarHBondContact O-CB 3.41Å; C521-K540 WeakPolarHBondContact O-CG 3.5Å; C521-K540 PolarHBondContact O-N 3.01Å; I523-K540 HydrophobicContact CD1-CG 4.33Å; I523-K540 HydrophobicContact CG1-CG 3.82Å; K540-Y544 HydrophobicContact CB-CD2 4.26Å; K540-Y544 HydrophobicContact CB-CG 4.09Å; K540-Y544 HydrophobicContact CD-CD1 4Å; K540-Y544 HydrophobicContact CD-CG 4.29Å; K540-V704 HydrophobicContact CD-CG1 4.2Å; K540-V704 HydrophobicContact CG-CG1 3.83Å
541	Q	91.5	Very high	87.5	Confident	35 Å²	35	49.3 Å²	49.3	16%	0.164	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-56.3	147.3	172.5	-168.5	176.5	34.6	0	0	110.5	Y544 S688 C705	Q541-Y544 HydrophobicContact CB-CD2 4.27Å; Q541-Y544 HydrophobicContact CB-CE2 4.11Å; Q541-Y544 WeakPolarHBondContact O-CD2 3.49Å; Q541-Y544 PolarHBondContact O-N 3.29Å; Q541-S688 PolarHBondContact NE2-O 2.84Å; Q541-C705 PolarHBondContact N-O 2.92Å; Q541-C705 PolarHBondContact OE1-SG 3.25Å
542	D	90.8	Very high	87.8	Confident	36 Å²	36	47.8 Å²	47.8	19%	0.193	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	141.5	175.7	-68.8	-5	0	0	0	111.1	C553 Y554 T555 M687	D542-C553 CarbonylContact C-O 3.59Å; D542-C553 VanDerWaalsContact CA-O 3.31Å; D542-C553 WeakPolarHBondContact CA-O 3.01Å; D542-Y554 HydrophobicContact CB-CD2 4.04Å; D542-Y554 WeakPolarHBondContact OD1-CA 3.49Å; D542-T555 PolarHBondContact OD1-N 2.85Å; D542-M687 HydrophobicContact CB-CE 3.14Å; D542-M687 WeakPolarHBondContact O-CE 3.4Å
543	G	89.6	Confident	88.3	Confident	11 Å²	11	47.3 Å²	47.3	11%	0.113	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.3	-16.1	-178.2	0	0	0	0	0	115.3	R552 C553	G543-R552 PolarHBondContact O-NH1 3.07Å; G543-C553 PolarHBondContact N-O 3.33Å
544	Y	91	Very high	88.7	Confident	75 Å²	75	46.8 Å²	46.8	29%	0.294	24%	0.244	S	C	.	.			trans	-56.3	145.5	172.9	-91.1	-105.8	0	0	0	111.5	K540 Q541 R552 C553 V704 C705	K540-Y544 HydrophobicContact CB-CD2 4.26Å; K540-Y544 HydrophobicContact CB-CG 4.09Å; K540-Y544 HydrophobicContact CD-CD1 4Å; K540-Y544 HydrophobicContact CD-CG 4.29Å; Q541-Y544 HydrophobicContact CB-CD2 4.27Å; Q541-Y544 HydrophobicContact CB-CE2 4.11Å; Q541-Y544 WeakPolarHBondContact O-CD2 3.49Å; Q541-Y544 PolarHBondContact O-N 3.29Å; Y544-R552 CarbonylContact O-C 2.98Å; Y544-R552 WeakPolarHBondContact O-CA 3.28Å; Y544-C553 PolarHBondContact O-N 2.91Å; Y544-V704 HydrophobicContact CE1-CG1 4Å; Y544-C705 HydrophobicContact CE2-CB 4.16Å; Y544-C705 WeakPolarHBondContact OH-CB 3.37Å; Y544-C705 PolarHBondContact OH-N 2.99Å; Y544-C705 VanDerWaalsContact OH-N 3.11Å
545	M	91.6	Very high	88.8	Confident	93 Å²	93	49.2 Å²	49.2	46%	0.458	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	142.1	177.4	-67.4	-170.4	179.5	0	0	111.4	N549	M545-N549 WeakPolarHBondContact CB-OD1 3.29Å; M545-N549 HydrophobicContact SD-CB 3.76Å; M545-N549 PolarHBondContact SD-OD1 3.17Å
546	C	91.6	Very high	88.8	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.02	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	166.4	177.5	62.7	0	0	0	0	111.4	D520 C521 V548 N549 Q550 G551 R552 C558	D520-C546 HydrophobicContact CB-CB 3.75Å; C521-C546 VanDerWaalsContact SG-CB 3.6Å; C546-V548 PolarHBondContact O-N 2.97Å; C546-N549 PolarHBondContact O-N 2.91Å; C546-Q550 PolarHBondContact O-N 3.35Å; C546-G551 PolarHBondContact N-O 3.25Å; C546-G551 PolarHBondContact O-N 3.28Å; C546-R552 VanDerWaalsContact SG-C 3.5Å; C546-R552 PolarHBondContact SG-N 3.33Å; C546-R552 VanDerWaalsContact SG-N 3.38Å; C546-C558 HydrophobicContact CB-CB 3.79Å; C546-C558 WeakPolarHBondContact CB-SG 3.45Å; C546-C558 WeakPolarHBondContact SG-CA 3.44Å; C546-C558 WeakPolarHBondContact SG-CB 3.3Å; C546-C558 CovalentContact SG-SG 2.02Å; C546-C558 PolarHBondContact SG-SG 2.79Å
547	Q	85.4	Confident	89	Confident	41 Å²	41	45.1 Å²	45.1	19%	0.192	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	49.5	-178.7	-73.9	-174.5	-24.4	0	0	113.8	D520 N549 Q550 T560 N563	D520-Q547 PolarHBondContact OD2-N 2.91Å; Q547-N549 PolarHBondContact O-N 3.23Å; Q547-Q550 HydrophobicContact CB-CB 4.44Å; Q547-Q550 WeakPolarHBondContact O-CB 3.46Å; Q547-Q550 WeakPolarHBondContact O-CG 3.38Å; Q547-Q550 PolarHBondContact O-N 3.33Å; Q547-T560 VanDerWaalsContact OE1-CG2 3.28Å; Q547-N563 VanDerWaalsContact CD-ND2 3.3Å; Q547-N563 PolarHBondContact NE2-ND2 3.46Å; Q547-N563 PolarHBondContact NE2-OD1 3.35Å; Q547-N563 PolarHBondContact OE1-ND2 2.72Å
548	V	83.3	Confident	89.3	Confident	112 Å²	112	45.3 Å²	45.3	68%	0.679	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	49	-179.3	-158.2	0	0	0	0	111.7	C546 Q550	C546-V548 PolarHBondContact O-N 2.97Å; V548-Q550 PolarHBondContact O-N 2.79Å
549	N	80	Confident	89.4	Confident	120 Å²	120	45.2 Å²	45.2	64%	0.642	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.2	17.2	178.6	-52	-26.2	0	0	0	115.1	M545 C546 Q547	M545-N549 WeakPolarHBondContact CB-OD1 3.29Å; M545-N549 HydrophobicContact SD-CB 3.76Å; M545-N549 PolarHBondContact SD-OD1 3.17Å; C546-N549 PolarHBondContact O-N 2.91Å; Q547-N549 PolarHBondContact O-N 3.23Å
550	Q	85.1	Confident	89.6	Confident	136 Å²	136	44.8 Å²	44.8	64%	0.636	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-24	174.3	-64.1	-176.3	-14.3	0	0	112.6	C546 Q547 V548 P667	C546-Q550 PolarHBondContact O-N 3.35Å; Q547-Q550 HydrophobicContact CB-CB 4.44Å; Q547-Q550 WeakPolarHBondContact O-CB 3.46Å; Q547-Q550 WeakPolarHBondContact O-CG 3.38Å; Q547-Q550 PolarHBondContact O-N 3.33Å; V548-Q550 PolarHBondContact O-N 2.79Å; Q550-P667 WeakPolarHBondContact O-CG 3.4Å
551	G	92.1	Very high	89.7	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	175.9	-178.4	0	0	0	0	0	114.1	C546 K559	C546-G551 PolarHBondContact N-O 3.25Å; C546-G551 PolarHBondContact O-N 3.28Å; G551-K559 VanDerWaalsContact CA-O 3.26Å; G551-K559 WeakPolarHBondContact CA-O 3.38Å
552	R	92.8	Very high	89.8	Confident	13 Å²	13	45.9 Å²	45.9	5%	0.049	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	147.3	170.2	-68.6	-174.9	-179.6	-68	-7	111.3	G543 Y544 C546 K559 G665 P667 S671 M672 I682	G543-R552 PolarHBondContact O-NH1 3.07Å; Y544-R552 CarbonylContact O-C 2.98Å; Y544-R552 WeakPolarHBondContact O-CA 3.28Å; C546-R552 VanDerWaalsContact SG-C 3.5Å; C546-R552 PolarHBondContact SG-N 3.33Å; C546-R552 VanDerWaalsContact SG-N 3.38Å; R552-K559 PolarHBondContact N-O 2.79Å; R552-K559 PolarHBondContact O-N 3.17Å; R552-G665 WeakPolarHBondContact CB-O 3.16Å; R552-P667 HydrophobicContact CG-CB 4.11Å; R552-P667 HydrophobicContact CG-CG 4.39Å; R552-S671 VanDerWaalsContact NH2-CA 3.32Å; R552-S671 VanDerWaalsContact NH2-N 3.13Å; R552-M672 PolarHBondContact NE-O 2.03Å; R552-M672 VanDerWaalsContact NE-O 3.08Å; R552-I682 VanDerWaalsContact CZ-CD1 3.41Å; R552-I682 VanDerWaalsContact NH1-CD1 3.29Å
553	C	92.3	Very high	89.8	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	129.5	171.1	-57.9	0	0	0	0	109.4	C521 D542 G543 Y544 E557	C521-C553 WeakPolarHBondContact CA-SG 3.46Å; C521-C553 HydrophobicContact CB-CB 3.62Å; C521-C553 WeakPolarHBondContact CB-SG 3.36Å; C521-C553 WeakPolarHBondContact SG-CA 3.32Å; C521-C553 WeakPolarHBondContact SG-CB 3.34Å; C521-C553 CovalentContact SG-SG 2.03Å; C521-C553 PolarHBondContact SG-SG 3.06Å; D542-C553 CarbonylContact C-O 3.59Å; D542-C553 VanDerWaalsContact CA-O 3.31Å; D542-C553 WeakPolarHBondContact CA-O 3.01Å; G543-C553 PolarHBondContact N-O 3.33Å; Y544-C553 PolarHBondContact O-N 2.91Å; C553-E557 CarbonylContact C-O 3.47Å; C553-E557 VanDerWaalsContact CA-O 3.31Å; C553-E557 WeakPolarHBondContact CA-O 3.45Å
554	Y	90.4	Very high	90	Very high	52 Å²	52	44.6 Å²	44.6	20%	0.204	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	122.9	173	-168.3	-107.5	0	0	0	107.6	D542 G556 E557 D664 M673	D542-Y554 HydrophobicContact CB-CD2 4.04Å; D542-Y554 WeakPolarHBondContact OD1-CA 3.49Å; Y554-G556 VanDerWaalsContact C-N 3.25Å; Y554-G556 PolarHBondContact O-N 3.28Å; Y554-E557 PolarHBondContact N-O 3.19Å; Y554-E557 PolarHBondContact O-N 2.98Å; Y554-D664 WeakPolarHBondContact CD1-O 3.3Å; Y554-D664 HydrophobicContact CE1-CB 3.92Å; Y554-M673 HydrophobicContact CD2-CE 3.77Å; Y554-M673 HydrophobicContact CE2-CE 3.73Å
555	T	87.1	Confident	90.1	Very high	74 Å²	74	41 Å²	41	45%	0.454	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	43.3	-175.6	64.4	0	0	0	0	113	D542 E557	D542-T555 PolarHBondContact OD1-N 2.85Å; T555-E557 PolarHBondContact O-N 2.79Å
556	G	87.2	Confident	90.2	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.01	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	-5.8	180	0	0	0	0	0	115.4	N519 C521 H539 Y554	N519-G556 PolarHBondContact ND2-O 3.36Å; C521-G556 WeakPolarHBondContact CB-O 3.25Å; H539-G556 PolarHBondContact CE1-N 3.44Å; H539-G556 VanDerWaalsContact CE1-N 3.34Å; H539-G556 PolarHBondContact ND1-N 2.85Å; Y554-G556 VanDerWaalsContact C-N 3.25Å; Y554-G556 PolarHBondContact O-N 3.28Å
557	E	88.6	Confident	90	Very high	34 Å²	34	39.7 Å²	39.7	16%	0.159	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	147.3	-179.5	-50.1	-163.9	161.4	0	0	112.7	K441 C553 Y554 T555 K559	K441-E557 HydrophobicContact CB-CG 4.34Å; K441-E557 WeakPolarHBondContact O-CA 3.26Å; K441-E557 WeakPolarHBondContact O-CG 3.29Å; C553-E557 CarbonylContact C-O 3.47Å; C553-E557 VanDerWaalsContact CA-O 3.31Å; C553-E557 WeakPolarHBondContact CA-O 3.45Å; Y554-E557 PolarHBondContact N-O 3.19Å; Y554-E557 PolarHBondContact O-N 2.98Å; T555-E557 PolarHBondContact O-N 2.79Å; E557-K559 HydrophobicContact CB-CD 4.39Å; E557-K559 PolarHBondContact O-N 3.15Å; E557-K559 IonicContact OE2-NZ 2.72Å; E557-K559 PolarHBondContact OE2-NZ 3.36Å
558	C	91.4	Very high	90.3	Very high	21 Å²	21	37.9 Å²	37.9	14%	0.142	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	100.3	172.9	-177.6	0	0	0	0	111.6	C546 N563	C546-C558 HydrophobicContact CB-CB 3.79Å; C546-C558 WeakPolarHBondContact CB-SG 3.45Å; C546-C558 WeakPolarHBondContact SG-CA 3.44Å; C546-C558 WeakPolarHBondContact SG-CB 3.3Å; C546-C558 CovalentContact SG-SG 2.02Å; C546-C558 PolarHBondContact SG-SG 2.79Å; C558-N563 PolarHBondContact O-ND2 2.99Å
559	K	93	Very high	90.6	Very high	25 Å²	25	33.7 Å²	33.7	11%	0.109	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	120.5	-178.1	-59.2	-57.8	-167.5	179.3	0	112	G551 R552 E557 E663 P667	G551-K559 VanDerWaalsContact CA-O 3.26Å; G551-K559 WeakPolarHBondContact CA-O 3.38Å; R552-K559 PolarHBondContact N-O 2.79Å; R552-K559 PolarHBondContact O-N 3.17Å; E557-K559 HydrophobicContact CB-CD 4.39Å; E557-K559 PolarHBondContact O-N 3.15Å; E557-K559 IonicContact OE2-NZ 2.72Å; E557-K559 PolarHBondContact OE2-NZ 3.36Å; K559-E663 WeakPolarHBondContact CD-OE2 3.47Å; K559-E663 WeakPolarHBondContact CE-OE2 3.48Å; K559-E663 IonicContact NZ-OE2 2.75Å; K559-E663 PolarHBondContact NZ-OE2 3.18Å; K559-P667 WeakPolarHBondContact O-CD 3.18Å
560	T	93.9	Very high	91	Very high	9 Å²	9	28.8 Å²	28.8	6%	0.055	14%	0.14	C	C	.	.			trans	-142.9	149.3	169.2	69.6	0	0	0	0	110.5	Q547 E562 N563 Q564	Q547-T560 VanDerWaalsContact OE1-CG2 3.28Å; T560-E562 PolarHBondContact O-N 2.94Å; T560-N563 PolarHBondContact O-N 3.15Å; T560-N563 WeakPolarHBondContact OG1-CB 3.07Å; T560-N563 PolarHBondContact OG1-N 3.18Å; T560-N563 PolarHBondContact OG1-ND2 3.39Å; T560-N563 VanDerWaalsContact OG1-ND2 3.13Å; T560-Q564 WeakPolarHBondContact O-CB 3.3Å; T560-Q564 PolarHBondContact O-N 2.97Å
561	R	94.8	Very high	91.1	Very high	42 Å²	42	24.4 Å²	24.4	16%	0.158	13%	0.125	C	C	.	.	H	α-helix	trans	-59.1	-36	171.8	-66.9	179.7	-77.5	-107.9	-8.3	112.3	Q564 C565 S575 Y581 F610 L614 V662 T666 P667	R561-Q564 PolarHBondContact O-N 3.35Å; R561-C565 PolarHBondContact O-N 3.2Å; R561-C565 PolarHBondContact O-SG 2.87Å; R561-C565 VanDerWaalsContact O-SG 3.36Å; R561-S575 WeakPolarHBondContact CB-OG 3.34Å; R561-Y581 WeakPolarHBondContact CD-OH 3.49Å; R561-F610 VanDerWaalsContact NH1-CB 3.28Å; R561-F610 PolarHBondContact NH1-O 3.11Å; R561-L614 HydrophobicContact CB-CD1 4.16Å; R561-L614 HydrophobicContact CG-CD1 4.23Å; R561-V662 HydrophobicContact CG-CG1 4.18Å; R561-V662 HydrophobicContact CG-CG2 4.19Å; R561-T666 HydrophobicContact CG-CG2 3.79Å; R561-P667 PolarHBondContact NH1-O 2.85Å
562	E	93	Very high	91	Very high	64 Å²	64	32.8 Å²	32.8	30%	0.299	16%	0.161	S	C	.	.	H	α-helix	trans	-62.7	-51.4	178.2	178.6	69.7	-169.2	0	0	111.3	T560 Q564 C565 K566 G574 S575	T560-E562 PolarHBondContact O-N 2.94Å; E562-Q564 VanDerWaalsContact C-N 3.3Å; E562-Q564 PolarHBondContact O-N 3.24Å; E562-C565 PolarHBondContact O-N 3.04Å; E562-K566 WeakPolarHBondContact O-CG 3.43Å; E562-K566 PolarHBondContact O-N 3.39Å; E562-K566 WeakPolarHBondContact OE1-CE 2.98Å; E562-K566 IonicContact OE1-NZ 3.65Å; E562-K566 PolarHBondContact OE1-NZ 2.97Å; E562-G574 WeakPolarHBondContact OE2-CA 3.11Å; E562-S575 PolarHBondContact OE2-N 3.06Å
563	N	91	Very high	90.9	Very high	16 Å²	16	32.3 Å²	32.3	9%	0.086	16%	0.16	C	C	.	.	H	α-helix	trans	-64.6	-37.2	177.5	-68.8	-13.4	0	0	0	111.1	W236 Q547 C558 T560 K566 Y567	W236-N563 HydrophobicContact CE3-CB 4.26Å; W236-N563 HydrophobicContact CH2-CB 4.24Å; W236-N563 HydrophobicContact CZ3-CB 3.53Å; W236-N563 VanDerWaalsContact CZ3-CG 3.46Å; Q547-N563 VanDerWaalsContact CD-ND2 3.3Å; Q547-N563 PolarHBondContact NE2-ND2 3.46Å; Q547-N563 PolarHBondContact NE2-OD1 3.35Å; Q547-N563 PolarHBondContact OE1-ND2 2.72Å; C558-N563 PolarHBondContact O-ND2 2.99Å; T560-N563 PolarHBondContact O-N 3.15Å; T560-N563 WeakPolarHBondContact OG1-CB 3.07Å; T560-N563 PolarHBondContact OG1-N 3.18Å; T560-N563 PolarHBondContact OG1-ND2 3.39Å; T560-N563 VanDerWaalsContact OG1-ND2 3.13Å; N563-K566 PolarHBondContact O-N 2.71Å; N563-Y567 VanDerWaalsContact O-CB 3.24Å; N563-Y567 WeakPolarHBondContact O-CB 3.28Å; N563-Y567 PolarHBondContact O-N 3.15Å
564	Q	94.2	Very high	90.9	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.019	16%	0.163	C	C	.	.	H	α-helix	trans	-63.3	-44.6	176.6	-166.3	-177.4	-1.7	0	0	111.4	T560 R561 E562 K566 Y567 I568 L614 L659 Y661 E663	T560-Q564 WeakPolarHBondContact O-CB 3.3Å; T560-Q564 PolarHBondContact O-N 2.97Å; R561-Q564 PolarHBondContact O-N 3.35Å; E562-Q564 VanDerWaalsContact C-N 3.3Å; E562-Q564 PolarHBondContact O-N 3.24Å; Q564-K566 VanDerWaalsContact C-N 3.34Å; Q564-K566 PolarHBondContact O-N 3.33Å; Q564-Y567 WeakPolarHBondContact O-CB 3.36Å; Q564-Y567 PolarHBondContact O-N 3.49Å; Q564-I568 HydrophobicContact CG-CD1 4.02Å; Q564-I568 VanDerWaalsContact O-CG1 3.31Å; Q564-I568 WeakPolarHBondContact O-CG1 3.46Å; Q564-I568 PolarHBondContact O-N 3.03Å; Q564-L614 HydrophobicContact CB-CD2 4.31Å; Q564-L614 HydrophobicContact CG-CD2 3.79Å; Q564-L659 PolarHBondContact NE2-O 3.31Å; Q564-L659 VanDerWaalsContact NE2-O 3.15Å; Q564-Y661 PolarHBondContact NE2-O 3.17Å; Q564-E663 HydrophobicContact CG-CG 4.44Å; Q564-E663 VanDerWaalsContact OE1-N 3.12Å
565	C	94.1	Very high	91.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.4	-42.7	173.4	-72	0	0	0	0	112.1	R561 E562 Y567 I568 W569 A573 C616	R561-C565 PolarHBondContact O-N 3.2Å; R561-C565 PolarHBondContact O-SG 2.87Å; R561-C565 VanDerWaalsContact O-SG 3.36Å; E562-C565 PolarHBondContact O-N 3.04Å; C565-Y567 VanDerWaalsContact C-N 3.32Å; C565-Y567 PolarHBondContact O-N 3.21Å; C565-I568 PolarHBondContact O-N 3.38Å; C565-W569 WeakPolarHBondContact O-CB 3.5Å; C565-W569 PolarHBondContact O-N 2.92Å; C565-A573 HydrophobicContact CB-CB 4.49Å; C565-C616 VanDerWaalsContact CA-SG 3.58Å; C565-C616 HydrophobicContact CB-CB 3.81Å; C565-C616 WeakPolarHBondContact CB-SG 3.42Å; C565-C616 VanDerWaalsContact SG-CA 3.57Å; C565-C616 WeakPolarHBondContact SG-CB 2.92Å; C565-C616 CovalentContact SG-SG 2.04Å; C565-C616 PolarHBondContact SG-SG 3.31Å
566	K	91.9	Very high	91.4	Very high	36 Å²	36	28.3 Å²	28.3	16%	0.157	14%	0.144	C	C	.	.	H	α-helix	trans	-64.6	-37.8	175.8	-73.7	173.9	-178.7	156.6	0	112.7	W236 E562 N563 Q564 G570 A573	W236-K566 HydrophobicContact CB-CD 4.49Å; W236-K566 HydrophobicContact CD2-CB 4.46Å; W236-K566 HydrophobicContact CD2-CD 4.12Å; W236-K566 HydrophobicContact CE3-CD 4.46Å; W236-K566 HydrophobicContact CG-CD 4.13Å; W236-K566 HydrophobicContact CH2-CB 4.47Å; W236-K566 HydrophobicContact CZ2-CB 4.12Å; E562-K566 WeakPolarHBondContact O-CG 3.43Å; E562-K566 PolarHBondContact O-N 3.39Å; E562-K566 WeakPolarHBondContact OE1-CE 2.98Å; E562-K566 IonicContact OE1-NZ 3.65Å; E562-K566 PolarHBondContact OE1-NZ 2.97Å; N563-K566 PolarHBondContact O-N 2.71Å; Q564-K566 VanDerWaalsContact C-N 3.34Å; Q564-K566 PolarHBondContact O-N 3.33Å; K566-G570 WeakPolarHBondContact CA-O 3.31Å; K566-G570 CarbonylContact O-C 3.54Å; K566-G570 VanDerWaalsContact O-C 3.3Å; K566-G570 WeakPolarHBondContact O-CA 3.07Å; K566-G570 PolarHBondContact O-N 3.13Å; K566-A573 VanDerWaalsContact CE-O 3.27Å; K566-A573 WeakPolarHBondContact CE-O 3.37Å; K566-A573 WeakPolarHBondContact CG-O 3.43Å
567	Y	89	Confident	91.6	Very high	33 Å²	33	33.5 Å²	33.5	13%	0.129	17%	0.167	C	C	.	.	H	α-helix	trans	-63.2	-46.3	178.9	178.5	-123.9	0	0	0	111.4	E437 N563 Q564 C565 R624 I625 L659	E437-Y567 WeakPolarHBondContact OE1-CD2 3.23Å; E437-Y567 WeakPolarHBondContact OE1-CE2 3.43Å; N563-Y567 VanDerWaalsContact O-CB 3.24Å; N563-Y567 WeakPolarHBondContact O-CB 3.28Å; N563-Y567 PolarHBondContact O-N 3.15Å; Q564-Y567 WeakPolarHBondContact O-CB 3.36Å; Q564-Y567 PolarHBondContact O-N 3.49Å; C565-Y567 VanDerWaalsContact C-N 3.32Å; C565-Y567 PolarHBondContact O-N 3.21Å; Y567-R624 PolarHBondContact O-NE 3.24Å; Y567-R624 VanDerWaalsContact O-NE 3.09Å; Y567-R624 PolarHBondContact O-NH2 3Å; Y567-I625 HydrophobicContact CD1-CG2 4.29Å; Y567-I625 HydrophobicContact CE1-CD1 3.83Å; Y567-I625 HydrophobicContact CE1-CG2 4.1Å; Y567-I625 HydrophobicContact CE2-CD1 4.17Å; Y567-I625 HydrophobicContact CE2-CG2 4.49Å; Y567-I625 WeakPolarHBondContact OH-CD1 3.45Å; Y567-L659 HydrophobicContact CD1-CD1 4.49Å; Y567-L659 HydrophobicContact CE1-CD1 4.13Å
568	I	91	Very high	91.8	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-75.3	-44.5	-178.1	-61	164.1	0	0	0	111.7	Q564 C565 L614 P623 R624 V651 L659	Q564-I568 HydrophobicContact CG-CD1 4.02Å; Q564-I568 VanDerWaalsContact O-CG1 3.31Å; Q564-I568 WeakPolarHBondContact O-CG1 3.46Å; Q564-I568 PolarHBondContact O-N 3.03Å; C565-I568 PolarHBondContact O-N 3.38Å; I568-L614 HydrophobicContact CD1-CD2 3.63Å; I568-P623 HydrophobicContact CG2-CB 3.96Å; I568-P623 CarbonylContact O-C 3.52Å; I568-P623 WeakPolarHBondContact O-CA 3.4Å; I568-R624 WeakPolarHBondContact O-CB 3.36Å; I568-R624 PolarHBondContact O-N 3.43Å; I568-V651 HydrophobicContact CG2-CB 4.28Å; I568-V651 HydrophobicContact CG2-CG1 4.24Å; I568-V651 HydrophobicContact CG2-CG2 3.85Å; I568-L659 HydrophobicContact CD1-CB 3.75Å; I568-L659 WeakPolarHBondContact CD1-O 3.48Å; I568-L659 HydrophobicContact CG1-CB 4.03Å; I568-L659 HydrophobicContact CG1-CD1 4.17Å
569	W	90.1	Very high	91.7	Very high	25 Å²	25	39.6 Å²	39.6	10%	0.095	19%	0.191	C	C	.	.	H	α-helix	trans	-112.1	-5.9	-166.5	-57.2	109.6	0	0	0	114.7	C565 A573 V619 G620 P623 M628 A649 V651	C565-W569 WeakPolarHBondContact O-CB 3.5Å; C565-W569 PolarHBondContact O-N 2.92Å; W569-A573 HydrophobicContact CB-CB 3.56Å; W569-A573 HydrophobicContact CG-CB 4.44Å; W569-V619 HydrophobicContact CD2-CB 4.41Å; W569-V619 HydrophobicContact CD2-CG1 3.52Å; W569-V619 HydrophobicContact CD2-CG2 4.39Å; W569-V619 HydrophobicContact CE3-CG1 3.56Å; W569-V619 HydrophobicContact CG-CG1 4.13Å; W569-V619 HydrophobicContact CG-CG2 4.25Å; W569-V619 HydrophobicContact CH2-CG1 3.81Å; W569-V619 HydrophobicContact CZ2-CG1 3.8Å; W569-V619 HydrophobicContact CZ3-CG1 3.7Å; W569-G620 WeakPolarHBondContact CZ3-O 3.29Å; W569-P623 HydrophobicContact CE3-CB 4.04Å; W569-P623 HydrophobicContact CH2-CB 4.42Å; W569-P623 HydrophobicContact CZ3-CB 3.9Å; W569-P623 HydrophobicContact CZ3-CG 4.46Å; W569-M628 HydrophobicContact CH2-CE 3.69Å; W569-M628 HydrophobicContact CZ3-CE 3.79Å; W569-A649 HydrophobicContact CH2-CB 3.7Å; W569-A649 HydrophobicContact CZ2-CB 3.67Å; W569-V651 HydrophobicContact CH2-CG2 4.17Å; W569-V651 HydrophobicContact CZ2-CG2 4.05Å
570	G	88.4	Confident	91.7	Very high	16 Å²	16	38.4 Å²	38.4	17%	0.165	19%	0.186	C	C	.	.			trans	100	171.6	-178.1	0	0	0	0	0	114	K566 K572 A573	K566-G570 WeakPolarHBondContact CA-O 3.31Å; K566-G570 CarbonylContact O-C 3.54Å; K566-G570 VanDerWaalsContact O-C 3.3Å; K566-G570 WeakPolarHBondContact O-CA 3.07Å; K566-G570 PolarHBondContact O-N 3.13Å; G570-K572 PolarHBondContact O-N 3.44Å; G570-A573 WeakPolarHBondContact O-CB 3.41Å; G570-A573 PolarHBondContact O-N 3.46Å
571	S	86.9	Confident	91.8	Very high	45 Å²	45	38.1 Å²	38.1	32%	0.315	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-26.1	-169.8	57.4	0	0	0	0	115.5	E233	E233-S571 WeakPolarHBondContact OE2-CB 3.32Å; E233-S571 PolarHBondContact OE2-OG 3.24Å
572	K	89.1	Confident	91.7	Very high	176 Å²	176	40.7 Å²	40.7	77%	0.765	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-16.7	-179.7	-64.4	-179.4	-177.8	173.4	0	114.2	G570 N618	G570-K572 PolarHBondContact O-N 3.44Å; K572-N618 WeakPolarHBondContact O-CB 3.41Å; K572-N618 PolarHBondContact O-ND2 2.91Å
573	A	92.1	Very high	91.7	Very high	3 Å²	3	42.5 Å²	42.5	3%	0.025	21%	0.205	C	C	.	.			trans	-76.7	154.7	178.3	0	0	0	0	0	111.2	C565 K566 W569 G570 T617	C565-A573 HydrophobicContact CB-CB 4.49Å; K566-A573 VanDerWaalsContact CE-O 3.27Å; K566-A573 WeakPolarHBondContact CE-O 3.37Å; K566-A573 WeakPolarHBondContact CG-O 3.43Å; W569-A573 HydrophobicContact CB-CB 3.56Å; W569-A573 HydrophobicContact CG-CB 4.44Å; G570-A573 WeakPolarHBondContact O-CB 3.41Å; G570-A573 PolarHBondContact O-N 3.46Å; A573-T617 WeakPolarHBondContact CA-O 3.26Å
574	G	92.4	Very high	91.8	Very high	6 Å²	6	41.8 Å²	41.8	6%	0.062	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	165.6	175.8	0	0	0	0	0	111.3	E562 C616 T617	E562-G574 WeakPolarHBondContact OE2-CA 3.11Å; G574-C616 CarbonylContact O-C 3.58Å; G574-C616 WeakPolarHBondContact O-CA 3.31Å; G574-C616 WeakPolarHBondContact O-CB 3.36Å; G574-T617 PolarHBondContact N-O 2.92Å; G574-T617 PolarHBondContact O-N 2.73Å; G574-T617 PolarHBondContact O-OG1 2.77Å
575	S	93.4	Very high	91.9	Very high	29 Å²	29	41.6 Å²	41.6	20%	0.203	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	141.1	173.8	-173.2	0	0	0	0	110.4	R561 E562 Y581	R561-S575 WeakPolarHBondContact CB-OG 3.34Å; E562-S575 PolarHBondContact OE2-N 3.06Å; S575-Y581 PolarHBondContact OG-OH 2.65Å
576	S	93.6	Very high	92	Very high	8 Å²	8	43.4 Å²	43.4	6%	0.056	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-69.2	160.1	172.3	-70.6	0	0	0	0	112.4	L615 C616 Q645	S576-L615 WeakPolarHBondContact CB-O 2.96Å; S576-L615 PolarHBondContact N-O 3.01Å; S576-L615 VanDerWaalsContact OG-C 3.23Å; S576-L615 PolarHBondContact OG-O 2.84Å; S576-C616 WeakPolarHBondContact OG-CA 3.5Å; S576-C616 PolarHBondContact OG-N 2.82Å; S576-C616 PolarHBondContact OG-O 3.33Å; S576-Q645 PolarHBondContact OG-O 2.9Å
577	E	91.5	Very high	92	Very high	109 Å²	109	46.3 Å²	46.3	51%	0.509	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-63.1	153.6	176.2	-65.4	-173.8	-154.1	0	0	112.1	F579 C580 I644	E577-F579 PolarHBondContact O-N 3.18Å; E577-F579 VanDerWaalsContact O-N 3.08Å; E577-C580 VanDerWaalsContact O-CB 3.28Å; E577-C580 WeakPolarHBondContact O-CB 3.43Å; E577-C580 PolarHBondContact O-N 2.78Å; E577-I644 HydrophobicContact CB-CG2 4.39Å; E577-I644 HydrophobicContact CG-CG2 4.43Å; E577-I644 VanDerWaalsContact OE2-CD1 3.31Å; E577-I644 WeakPolarHBondContact OE2-CD1 3.25Å
578	K	91.8	Very high	92.2	Very high	139 Å²	139	45.6 Å²	45.6	60%	0.604	23%	0.228	S	C	*	.	H	α-helix	trans	-52.9	-36	-179.3	-68.6	-175.1	-178.5	-179.2	0	113.2	C580 Y581 E582 F610	K578-C580 PolarHBondContact O-N 3.31Å; K578-Y581 PolarHBondContact O-N 3.31Å; K578-Y581 VanDerWaalsContact O-N 3.14Å; K578-E582 WeakPolarHBondContact O-CG 3.23Å; K578-E582 PolarHBondContact O-N 3.42Å; K578-F610 HydrophobicContact CB-CE1 3.9Å; K578-F610 HydrophobicContact CB-CZ 3.91Å; K578-F610 HydrophobicContact CD-CE1 4.48Å; K578-F610 HydrophobicContact CD-CZ 4.13Å; K578-F610 HydrophobicContact CG-CE1 3.89Å; K578-F610 HydrophobicContact CG-CZ 3.98Å
579	F	90.8	Very high	92.2	Very high	45 Å²	45	47.9 Å²	47.9	20%	0.197	24%	0.242	C	C	.	.	H	α-helix	trans	-56.3	-36.4	177.8	179.6	-98.2	0	0	0	113	E577 Y581 E582 K583 F637 H639 I644	E577-F579 PolarHBondContact O-N 3.18Å; E577-F579 VanDerWaalsContact O-N 3.08Å; F579-Y581 PolarHBondContact O-N 2.88Å; F579-E582 PolarHBondContact O-N 2.99Å; F579-K583 HydrophobicContact CD1-CG 4.26Å; F579-K583 HydrophobicContact CD2-CG 4.17Å; F579-K583 HydrophobicContact CE1-CG 3.83Å; F579-K583 HydrophobicContact CE2-CD 4.17Å; F579-K583 HydrophobicContact CE2-CG 3.75Å; F579-K583 HydrophobicContact CG-CG 4.42Å; F579-K583 HydrophobicContact CZ-CD 4.17Å; F579-K583 HydrophobicContact CZ-CG 3.56Å; F579-K583 WeakPolarHBondContact O-CB 3.43Å; F579-K583 WeakPolarHBondContact O-CG 3.22Å; F579-K583 PolarHBondContact O-N 3.01Å; F579-F637 HydrophobicContact CE1-CB 4.05Å; F579-F637 HydrophobicContact CE1-CD2 4.44Å; F579-F637 HydrophobicContact CE1-CG 4.15Å; F579-H639 AromaticContact CD2-CE1 3.84Å; F579-H639 AromaticContact CD2-ND1 3.83Å; F579-H639 AromaticContact CE2-CE1 3.84Å; F579-H639 AromaticContact CE2-ND1 3.59Å; F579-H639 AromaticContact CZ-ND1 3.74Å; F579-I644 HydrophobicContact CD1-CD1 4.37Å
580	C	93	Very high	92.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.7	-47.3	177.5	-69.1	0	0	0	0	111.3	E577 K578 K583 L584 L615 I644 C646	E577-C580 VanDerWaalsContact O-CB 3.28Å; E577-C580 WeakPolarHBondContact O-CB 3.43Å; E577-C580 PolarHBondContact O-N 2.78Å; K578-C580 PolarHBondContact O-N 3.31Å; C580-K583 PolarHBondContact O-N 3.5Å; C580-L584 WeakPolarHBondContact O-CB 3.48Å; C580-L584 PolarHBondContact O-N 3.48Å; C580-L615 VanDerWaalsContact C-CD1 3.49Å; C580-L615 HydrophobicContact CB-CB 4.44Å; C580-L615 HydrophobicContact CB-CD1 3.76Å; C580-L615 WeakPolarHBondContact O-CD1 3.3Å; C580-I644 VanDerWaalsContact SG-CG2 3.55Å; C580-C646 VanDerWaalsContact CA-SG 3.6Å; C580-C646 HydrophobicContact CB-CB 3.61Å; C580-C646 WeakPolarHBondContact CB-SG 3.38Å; C580-C646 WeakPolarHBondContact SG-CB 3.45Å; C580-C646 CovalentContact SG-SG 2.03Å; C580-C646 PolarHBondContact SG-SG 3.4Å
581	Y	95.1	Very high	92.2	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-66.3	-48.3	178.9	-64.9	-89.9	0	0	0	111.3	R561 S575 K578 F579 K583 N585 F610 Y613 L615 V662	R561-Y581 WeakPolarHBondContact CD-OH 3.49Å; S575-Y581 PolarHBondContact OG-OH 2.65Å; K578-Y581 PolarHBondContact O-N 3.31Å; K578-Y581 VanDerWaalsContact O-N 3.14Å; F579-Y581 PolarHBondContact O-N 2.88Å; Y581-K583 PolarHBondContact O-N 2.85Å; Y581-N585 VanDerWaalsContact O-CB 3.28Å; Y581-N585 WeakPolarHBondContact O-CB 3.35Å; Y581-N585 PolarHBondContact O-N 3.23Å; Y581-N585 VanDerWaalsContact O-N 3.08Å; Y581-F610 HydrophobicContact CD2-CD1 4.42Å; Y581-F610 HydrophobicContact CD2-CE1 4.37Å; Y581-F610 HydrophobicContact CG-CD1 4.1Å; Y581-F610 HydrophobicContact CG-CE1 4.28Å; Y581-Y613 WeakPolarHBondContact CE1-O 3.17Å; Y581-L615 HydrophobicContact CD1-CD1 4.02Å; Y581-L615 HydrophobicContact CD1-CG 4.39Å; Y581-L615 HydrophobicContact CD2-CD1 4.45Å; Y581-L615 HydrophobicContact CE1-CB 4.05Å; Y581-L615 HydrophobicContact CE1-CD1 4.31Å; Y581-L615 HydrophobicContact CE1-CG 4.21Å; Y581-L615 HydrophobicContact CE2-CB 4.15Å; Y581-L615 HydrophobicContact CG-CD1 4.09Å; Y581-L615 PolarHBondContact OH-N 3.1Å; Y581-L615 PolarHBondContact OH-O 2.8Å; Y581-V662 HydrophobicContact CE1-CG2 4.23Å
582	E	94.2	Very high	92.5	Very high	96 Å²	96	53 Å²	53	45%	0.449	26%	0.256	S	S	.	.	H	α-helix	trans	-61.6	-26.4	-179	-70.4	173.3	-176.8	0	0	113.4	K578 F579 T586 V609 F610	K578-E582 WeakPolarHBondContact O-CG 3.23Å; K578-E582 PolarHBondContact O-N 3.42Å; F579-E582 PolarHBondContact O-N 2.99Å; E582-T586 VanDerWaalsContact O-CG2 3.27Å; E582-T586 WeakPolarHBondContact O-CG2 3.27Å; E582-T586 PolarHBondContact O-OG1 3.27Å; E582-V609 HydrophobicContact CG-CG2 4.29Å; E582-F610 HydrophobicContact CG-CZ 4.09Å
583	K	91.8	Very high	92.7	Very high	102 Å²	102	44.7 Å²	44.7	44%	0.443	22%	0.22	S	C	.	.	H	α-helix	trans	-87.7	-66.3	174.3	-67.5	-59.2	-178.4	-176.3	0	111.6	F579 C580 Y581 N585 T586	F579-K583 HydrophobicContact CD1-CG 4.26Å; F579-K583 HydrophobicContact CD2-CG 4.17Å; F579-K583 HydrophobicContact CE1-CG 3.83Å; F579-K583 HydrophobicContact CE2-CD 4.17Å; F579-K583 HydrophobicContact CE2-CG 3.75Å; F579-K583 HydrophobicContact CG-CG 4.42Å; F579-K583 HydrophobicContact CZ-CD 4.17Å; F579-K583 HydrophobicContact CZ-CG 3.56Å; F579-K583 WeakPolarHBondContact O-CB 3.43Å; F579-K583 WeakPolarHBondContact O-CG 3.22Å; F579-K583 PolarHBondContact O-N 3.01Å; C580-K583 PolarHBondContact O-N 3.5Å; Y581-K583 PolarHBondContact O-N 2.85Å; K583-N585 PolarHBondContact O-N 2.99Å; K583-T586 PolarHBondContact O-N 3.42Å; K583-T586 PolarHBondContact O-OG1 2.64Å
584	L	93.6	Very high	92.9	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-66.5	-43.8	-167.7	-67.3	177.2	0	0	0	112.4	C580 T586 E587 K591 G592 L615 T635 F637 C646	C580-L584 WeakPolarHBondContact O-CB 3.48Å; C580-L584 PolarHBondContact O-N 3.48Å; L584-T586 PolarHBondContact O-N 2.63Å; L584-E587 WeakPolarHBondContact O-CB 3.35Å; L584-E587 PolarHBondContact O-N 2.8Å; L584-K591 HydrophobicContact CD2-CB 4.35Å; L584-G592 CarbonylContact O-C 3.56Å; L584-G592 WeakPolarHBondContact O-CA 3.06Å; L584-G592 VanDerWaalsContact O-O 3.05Å; L584-L615 HydrophobicContact CB-CD1 4.23Å; L584-L615 HydrophobicContact CD1-CD1 4.01Å; L584-L615 HydrophobicContact CD1-CD2 3.97Å; L584-T635 HydrophobicContact CD2-CG2 4.3Å; L584-F637 HydrophobicContact CD1-CE2 4.19Å; L584-F637 HydrophobicContact CD2-CE2 4.09Å; L584-F637 HydrophobicContact CD2-CZ 3.71Å; L584-F637 HydrophobicContact CG-CE2 4.09Å; L584-F637 HydrophobicContact CG-CZ 4.14Å; L584-C646 HydrophobicContact CD1-CB 3.7Å
585	N	96.4	Very high	93	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-23.3	-176	-72.3	-7.3	0	0	0	112.7	Y581 K583 E587 G592 N593 C604 V609 Y613	Y581-N585 VanDerWaalsContact O-CB 3.28Å; Y581-N585 WeakPolarHBondContact O-CB 3.35Å; Y581-N585 PolarHBondContact O-N 3.23Å; Y581-N585 VanDerWaalsContact O-N 3.08Å; K583-N585 PolarHBondContact O-N 2.99Å; N585-E587 VanDerWaalsContact C-N 3.29Å; N585-G592 WeakPolarHBondContact OD1-CA 3.49Å; N585-N593 PolarHBondContact OD1-N 2.78Å; N585-C604 HydrophobicContact CB-CB 4.15Å; N585-C604 WeakPolarHBondContact O-CB 3.31Å; N585-C604 PolarHBondContact O-N 2.79Å; N585-C604 PolarHBondContact O-SG 3.25Å; N585-V609 HydrophobicContact CB-CB 4.42Å; N585-V609 PolarHBondContact ND2-O 3.39Å; N585-Y613 PolarHBondContact ND2-N 3.33Å; N585-Y613 PolarHBondContact ND2-O 3.13Å; N585-Y613 WeakPolarHBondContact OD1-CB 3.34Å
586	T	95.4	Very high	92.8	Very high	38 Å²	38	48.3 Å²	48.3	23%	0.233	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-4.4	172.1	68.9	0	0	0	0	113.8	E582 K583 L584 Q603 V609	E582-T586 VanDerWaalsContact O-CG2 3.27Å; E582-T586 WeakPolarHBondContact O-CG2 3.27Å; E582-T586 PolarHBondContact O-OG1 3.27Å; K583-T586 PolarHBondContact O-N 3.42Å; K583-T586 PolarHBondContact O-OG1 2.64Å; L584-T586 PolarHBondContact O-N 2.63Å; T586-Q603 VanDerWaalsContact O-CD 3.27Å; T586-Q603 WeakPolarHBondContact O-CG 3.42Å; T586-Q603 PolarHBondContact O-NE2 2.8Å; T586-V609 HydrophobicContact CG2-CG1 3.4Å
587	E	93.3	Very high	92.6	Very high	98 Å²	98	52.6 Å²	52.6	46%	0.458	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-32.3	175.4	-62.8	-178.7	-177.8	0	0	111.5	L584 N585 T589	L584-E587 WeakPolarHBondContact O-CB 3.35Å; L584-E587 PolarHBondContact O-N 2.8Å; N585-E587 VanDerWaalsContact C-N 3.29Å; E587-T589 HydrophobicContact CB-CG2 3.93Å
588	G	92.7	Very high	92.5	Very high	17 Å²	17	50.4 Å²	50.4	18%	0.175	26%	0.262	C	S	.	.			trans	66.9	47	-175.8	0	0	0	0	0	111.5	G592 W601	G588-G592 CarbonylContact C-O 3.46Å; G588-G592 WeakPolarHBondContact CA-O 3.37Å; G588-G592 PolarHBondContact N-O 2.91Å; G588-G592 VanDerWaalsContact N-O 3.14Å; G588-W601 VanDerWaalsContact O-CB 3.25Å; G588-W601 WeakPolarHBondContact O-CB 3.48Å
589	T	91.6	Very high	92.3	Very high	50 Å²	50	50.7 Å²	50.7	31%	0.307	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-122.6	176.2	178.9	69.6	0	0	0	0	110.1	E587 K591 G592 N593	E587-T589 HydrophobicContact CB-CG2 3.93Å; T589-K591 PolarHBondContact O-N 2.84Å; T589-K591 VanDerWaalsContact O-N 3.08Å; T589-K591 PolarHBondContact OG1-N 3.48Å; T589-G592 PolarHBondContact N-O 2.93Å; T589-G592 CarbonylContact O-C 3.59Å; T589-G592 VanDerWaalsContact O-C 3.26Å; T589-G592 PolarHBondContact O-N 3.48Å; T589-N593 WeakPolarHBondContact O-CB 3.35Å; T589-N593 PolarHBondContact O-ND2 3.23Å
590	E	88.6	Confident	92.4	Very high	98 Å²	98	56.6 Å²	56.6	46%	0.458	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-23.8	171.4	-174.1	173.8	-157.9	0	0	112.4	W601	E590-W601 HydrophobicContact CB-CZ2 4.17Å; E590-W601 HydrophobicContact CG-CZ2 4.14Å
591	K	88.3	Confident	92.5	Very high	97 Å²	97	59.8 Å²	59.8	42%	0.422	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-15.4	179.8	-47.6	-156.7	172.9	179.4	0	114.5	L584 T589 Y613 T633	L584-K591 HydrophobicContact CD2-CB 4.35Å; T589-K591 PolarHBondContact O-N 2.84Å; T589-K591 VanDerWaalsContact O-N 3.08Å; T589-K591 PolarHBondContact OG1-N 3.48Å; K591-Y613 WeakPolarHBondContact O-CD1 2.95Å; K591-T633 HydrophobicContact CB-CG2 3.57Å; K591-T633 HydrophobicContact CD-CG2 3.54Å; K591-T633 HydrophobicContact CG-CG2 3.33Å
592	G	92.9	Very high	92.5	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	177.1	123.6	-177.9	0	0	0	0	0	111.3	L584 N585 G588 T589	L584-G592 CarbonylContact O-C 3.56Å; L584-G592 WeakPolarHBondContact O-CA 3.06Å; L584-G592 VanDerWaalsContact O-O 3.05Å; N585-G592 WeakPolarHBondContact OD1-CA 3.49Å; G588-G592 CarbonylContact C-O 3.46Å; G588-G592 WeakPolarHBondContact CA-O 3.37Å; G588-G592 PolarHBondContact N-O 2.91Å; G588-G592 VanDerWaalsContact N-O 3.14Å; T589-G592 PolarHBondContact N-O 2.93Å; T589-G592 CarbonylContact O-C 3.59Å; T589-G592 VanDerWaalsContact O-C 3.26Å; T589-G592 PolarHBondContact O-N 3.48Å
593	N	95.3	Very high	92.7	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.326	C	S	.	.			trans	-164.1	173.8	-174.1	62	77.5	0	0	0	110.8	N585 T589 G595 W601 I602 C604 G612 Y613 Y661	N585-N593 PolarHBondContact OD1-N 2.78Å; T589-N593 WeakPolarHBondContact O-CB 3.35Å; T589-N593 PolarHBondContact O-ND2 3.23Å; N593-G595 PolarHBondContact OD1-N 3.25Å; N593-G595 PolarHBondContact OD1-O 2.75Å; N593-W601 HydrophobicContact CB-CB 4.09Å; N593-W601 HydrophobicContact CB-CE3 4.33Å; N593-I602 CarbonylContact C-O 3.57Å; N593-I602 WeakPolarHBondContact CA-O 3.32Å; N593-I602 VanDerWaalsContact CB-O 3.29Å; N593-I602 WeakPolarHBondContact CB-O 3.36Å; N593-C604 PolarHBondContact O-SG 3.35Å; N593-G612 CarbonylContact O-C 3.51Å; N593-G612 VanDerWaalsContact O-CA 3.3Å; N593-G612 WeakPolarHBondContact O-CA 3.14Å; N593-Y613 PolarHBondContact O-N 3.05Å; N593-Y661 VanDerWaalsContact OD1-CE1 3.22Å; N593-Y661 WeakPolarHBondContact OD1-CE1 2.96Å; N593-Y661 VanDerWaalsContact OD1-CZ 3.29Å; N593-Y661 PolarHBondContact OD1-OH 2.91Å
594	C	96.1	Very high	92.9	Very high	14 Å²	14	60 Å²	60	10%	0.095	31%	0.307	C	S	.	.	S	Bend	trans	-112.3	46.4	174.9	-85.8	0	0	0	0	110.9	I602 C604 H677	C594-I602 HydrophobicContact CB-CG2 4.45Å; C594-I602 PolarHBondContact N-O 2.6Å; C594-C604 WeakPolarHBondContact CA-SG 3.49Å; C594-C604 HydrophobicContact CB-CB 4.02Å; C594-C604 WeakPolarHBondContact CB-SG 3.41Å; C594-C604 PolarHBondContact N-SG 2.82Å; C594-C604 VanDerWaalsContact SG-CA 3.51Å; C594-C604 WeakPolarHBondContact SG-CB 3.41Å; C594-C604 CovalentContact SG-SG 2.01Å; C594-C604 PolarHBondContact SG-SG 3.39Å; C594-H677 HydrophobicContact CB-CB 4.46Å
595	G	92.8	Very high	93.1	Very high	6 Å²	6	62.2 Å²	62.2	6%	0.062	32%	0.323	C	S	.	.			trans	98.8	-169.8	-178.1	0	0	0	0	0	112.8	N593 I602 Y661	N593-G595 PolarHBondContact OD1-N 3.25Å; N593-G595 PolarHBondContact OD1-O 2.75Å; G595-I602 PolarHBondContact O-N 3.4Å; G595-Y661 WeakPolarHBondContact CA-OH 3.04Å
596	K	90.9	Very high	92.9	Very high	95 Å²	95	71.1 Å²	71.1	41%	0.413	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	135.1	-174.9	-155.8	-175.4	-175.4	-138.5	0	109.8	G598 D599 R600 W601	K596-G598 VanDerWaalsContact CD-O 3.26Å; K596-G598 WeakPolarHBondContact CD-O 3.22Å; K596-G598 VanDerWaalsContact CE-O 3.23Å; K596-G598 WeakPolarHBondContact CE-O 3.07Å; K596-G598 WeakPolarHBondContact CG-O 3.37Å; K596-G598 PolarHBondContact NZ-O 2.99Å; K596-G598 VanDerWaalsContact NZ-O 3.09Å; K596-D599 WeakPolarHBondContact CE-O 3.49Å; K596-D599 IonicContact NZ-OD1 2.69Å; K596-D599 PolarHBondContact NZ-OD1 3.35Å; K596-R600 WeakPolarHBondContact CA-O 3.47Å; K596-R600 WeakPolarHBondContact CG-O 3.27Å; K596-W601 HydrophobicContact CB-CE3 3.93Å; K596-W601 HydrophobicContact CB-CZ3 3.96Å; K596-W601 HydrophobicContact CD-CE3 4.26Å; K596-W601 HydrophobicContact CD-CH2 4.18Å; K596-W601 HydrophobicContact CD-CZ3 4.04Å; K596-W601 HydrophobicContact CG-CD2 4.3Å; K596-W601 HydrophobicContact CG-CE3 3.86Å; K596-W601 HydrophobicContact CG-CZ3 4.05Å
597	D	89.6	Confident	92.9	Very high	98 Å²	98	76.3 Å²	76.3	52%	0.524	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	98.9	172	178.9	25.7	0	0	0	108.1	D599 R600 I602	D597-D599 PolarHBondContact O-N 2.81Å; D597-D599 VanDerWaalsContact O-N 3.11Å; D597-R600 PolarHBondContact N-O 3.24Å; D597-R600 PolarHBondContact O-N 2.94Å; D597-R600 IonicContact OD2-NH2 3.66Å; D597-I602 HydrophobicContact CB-CD1 4.01Å; D597-I602 HydrophobicContact CB-CG1 3.99Å
598	G	88.3	Confident	93	Very high	62 Å²	62	73.2 Å²	73.2	64%	0.639	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	-110.3	-168.4	0	0	0	0	0	111.7	K596	K596-G598 VanDerWaalsContact CD-O 3.26Å; K596-G598 WeakPolarHBondContact CD-O 3.22Å; K596-G598 VanDerWaalsContact CE-O 3.23Å; K596-G598 WeakPolarHBondContact CE-O 3.07Å; K596-G598 WeakPolarHBondContact CG-O 3.37Å; K596-G598 PolarHBondContact NZ-O 2.99Å; K596-G598 VanDerWaalsContact NZ-O 3.09Å
599	D	87.6	Confident	93.2	Very high	145 Å²	145	72.5 Å²	72.5	78%	0.775	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-4.4	176.4	-77.2	-37.5	0	0	0	115.1	K596 D597	K596-D599 WeakPolarHBondContact CE-O 3.49Å; K596-D599 IonicContact NZ-OD1 2.69Å; K596-D599 PolarHBondContact NZ-OD1 3.35Å; D597-D599 PolarHBondContact O-N 2.81Å; D597-D599 VanDerWaalsContact O-N 3.11Å
600	R	93.4	Very high	93.5	Very high	170 Å²	170	71.4 Å²	71.4	64%	0.642	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	129	-176	-170.6	177.3	64.3	129.1	1.5	111.1	K596 D597	K596-R600 WeakPolarHBondContact CA-O 3.47Å; K596-R600 WeakPolarHBondContact CG-O 3.27Å; D597-R600 PolarHBondContact N-O 3.24Å; D597-R600 PolarHBondContact O-N 2.94Å; D597-R600 IonicContact OD2-NH2 3.66Å
601	W	94.5	Very high	93.9	Very high	67 Å²	67	66.8 Å²	66.8	25%	0.254	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	137.1	170.9	-62.5	114.8	0	0	0	111.1	G588 E590 N593 K596 H650	G588-W601 VanDerWaalsContact O-CB 3.25Å; G588-W601 WeakPolarHBondContact O-CB 3.48Å; E590-W601 HydrophobicContact CB-CZ2 4.17Å; E590-W601 HydrophobicContact CG-CZ2 4.14Å; N593-W601 HydrophobicContact CB-CB 4.09Å; N593-W601 HydrophobicContact CB-CE3 4.33Å; K596-W601 HydrophobicContact CB-CE3 3.93Å; K596-W601 HydrophobicContact CB-CZ3 3.96Å; K596-W601 HydrophobicContact CD-CE3 4.26Å; K596-W601 HydrophobicContact CD-CH2 4.18Å; K596-W601 HydrophobicContact CD-CZ3 4.04Å; K596-W601 HydrophobicContact CG-CD2 4.3Å; K596-W601 HydrophobicContact CG-CE3 3.86Å; K596-W601 HydrophobicContact CG-CZ3 4.05Å; W601-H650 AromaticContact CH2-CE1 3.88Å; W601-H650 AromaticContact CH2-NE2 3.51Å; W601-H650 AromaticContact CZ3-CE1 3.99Å; W601-H650 AromaticContact CZ3-NE2 3.99Å
602	I	96.1	Very high	94.2	Very high	65 Å²	65	62.1 Å²	62.1	33%	0.333	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-89.3	122.6	-179	-58	172.7	0	0	0	108.4	N593 C594 G595 D597 C604	N593-I602 CarbonylContact C-O 3.57Å; N593-I602 WeakPolarHBondContact CA-O 3.32Å; N593-I602 VanDerWaalsContact CB-O 3.29Å; N593-I602 WeakPolarHBondContact CB-O 3.36Å; C594-I602 HydrophobicContact CB-CG2 4.45Å; C594-I602 PolarHBondContact N-O 2.6Å; G595-I602 PolarHBondContact O-N 3.4Å; D597-I602 HydrophobicContact CB-CD1 4.01Å; D597-I602 HydrophobicContact CB-CG1 3.99Å; I602-C604 PolarHBondContact O-N 3.23Å
603	Q	96.8	Very high	94.4	Very high	131 Å²	131	62.2 Å²	62.2	61%	0.612	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-68.8	128	172.3	-169	-176.8	2.4	0	0	110.2	T586	T586-Q603 VanDerWaalsContact O-CD 3.27Å; T586-Q603 WeakPolarHBondContact O-CG 3.42Å; T586-Q603 PolarHBondContact O-NE2 2.8Å
604	C	97.2	Very high	94.5	Very high	7 Å²	7	62.4 Å²	62.4	5%	0.047	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-69.1	142.3	175	-65.4	0	0	0	0	111.4	N585 N593 C594 I602 V609	N585-C604 HydrophobicContact CB-CB 4.15Å; N585-C604 WeakPolarHBondContact O-CB 3.31Å; N585-C604 PolarHBondContact O-N 2.79Å; N585-C604 PolarHBondContact O-SG 3.25Å; N593-C604 PolarHBondContact O-SG 3.35Å; C594-C604 WeakPolarHBondContact CA-SG 3.49Å; C594-C604 HydrophobicContact CB-CB 4.02Å; C594-C604 WeakPolarHBondContact CB-SG 3.41Å; C594-C604 PolarHBondContact N-SG 2.82Å; C594-C604 VanDerWaalsContact SG-CA 3.51Å; C594-C604 WeakPolarHBondContact SG-CB 3.41Å; C594-C604 CovalentContact SG-SG 2.01Å; C594-C604 PolarHBondContact SG-SG 3.39Å; I602-C604 PolarHBondContact O-N 3.23Å; C604-V609 HydrophobicContact CB-CG1 4.28Å
605	S	96.4	Very high	94.4	Very high	49 Å²	49	61.8 Å²	61.8	34%	0.343	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-67.2	158.7	163.5	91.9	0	0	0	0	109.7	H607 D608 V609	S605-H607 PolarHBondContact O-N 3.44Å; S605-H607 VanDerWaalsContact O-N 3.12Å; S605-H607 PolarHBondContact OG-N 2.61Å; S605-D608 WeakPolarHBondContact CB-OD2 3.18Å; S605-D608 PolarHBondContact O-N 2.85Å; S605-D608 PolarHBondContact OG-N 3.08Å; S605-D608 PolarHBondContact OG-OD2 2.89Å; S605-V609 VanDerWaalsContact O-CG1 3.22Å; S605-V609 WeakPolarHBondContact O-CG1 3.16Å; S605-V609 PolarHBondContact O-N 2.82Å; S605-V609 VanDerWaalsContact O-N 3.16Å
606	K	93.5	Very high	94.5	Very high	186 Å²	186	61.6 Å²	61.6	81%	0.809	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-26.4	175.8	-69.7	-172.8	179.5	-179.6	0	113.3
607	H	94.1	Very high	94.6	Very high	148 Å²	148	58.7 Å²	58.7	69%	0.685	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-28.3	178	-65.1	-64.3	0	0	0	112.2	S605 C679	S605-H607 PolarHBondContact O-N 3.44Å; S605-H607 VanDerWaalsContact O-N 3.12Å; S605-H607 PolarHBondContact OG-N 2.61Å; H607-C679 WeakPolarHBondContact O-CB 3.37Å
608	D	96.6	Very high	94.5	Very high	32 Å²	32	59.2 Å²	59.2	17%	0.171	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-3	-173.2	-55.1	-47.4	0	0	0	113.5	S605 F610 C611 G612 K678 C679	S605-D608 WeakPolarHBondContact CB-OD2 3.18Å; S605-D608 PolarHBondContact O-N 2.85Å; S605-D608 PolarHBondContact OG-N 3.08Å; S605-D608 PolarHBondContact OG-OD2 2.89Å; D608-F610 PolarHBondContact O-N 3.06Å; D608-C611 PolarHBondContact O-N 3.3Å; D608-G612 PolarHBondContact O-N 2.89Å; D608-K678 WeakPolarHBondContact OD1-CA 3.34Å; D608-C679 PolarHBondContact OD1-N 3.38Å
609	V	96.9	Very high	94.5	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.018	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-28	-176.9	-62.8	0	0	0	0	113.8	E582 N585 T586 C604 S605	E582-V609 HydrophobicContact CG-CG2 4.29Å; N585-V609 HydrophobicContact CB-CB 4.42Å; N585-V609 PolarHBondContact ND2-O 3.39Å; T586-V609 HydrophobicContact CG2-CG1 3.4Å; C604-V609 HydrophobicContact CB-CG1 4.28Å; S605-V609 VanDerWaalsContact O-CG1 3.22Å; S605-V609 WeakPolarHBondContact O-CG1 3.16Å; S605-V609 PolarHBondContact O-N 2.82Å; S605-V609 VanDerWaalsContact O-N 3.16Å
610	F	96.8	Very high	94.2	Very high	27 Å²	27	52.4 Å²	52.4	12%	0.118	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-2.8	-178.7	-74.8	-49.8	0	0	0	114.8	R561 K578 Y581 E582 D608 C668	R561-F610 VanDerWaalsContact NH1-CB 3.28Å; R561-F610 PolarHBondContact NH1-O 3.11Å; K578-F610 HydrophobicContact CB-CE1 3.9Å; K578-F610 HydrophobicContact CB-CZ 3.91Å; K578-F610 HydrophobicContact CD-CE1 4.48Å; K578-F610 HydrophobicContact CD-CZ 4.13Å; K578-F610 HydrophobicContact CG-CE1 3.89Å; K578-F610 HydrophobicContact CG-CZ 3.98Å; Y581-F610 HydrophobicContact CD2-CD1 4.42Å; Y581-F610 HydrophobicContact CD2-CE1 4.37Å; Y581-F610 HydrophobicContact CG-CD1 4.1Å; Y581-F610 HydrophobicContact CG-CE1 4.28Å; E582-F610 HydrophobicContact CG-CZ 4.09Å; D608-F610 PolarHBondContact O-N 3.06Å; F610-C668 HydrophobicContact CB-CB 3.91Å
611	C	97.3	Very high	93.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-1.1	178.1	-59.7	0	0	0	0	113.3	D608 C668 C674 H677	D608-C611 PolarHBondContact O-N 3.3Å; C611-C668 WeakPolarHBondContact SG-CB 3.44Å; C611-C674 WeakPolarHBondContact CA-SG 3.11Å; C611-C674 HydrophobicContact CB-CB 3.66Å; C611-C674 WeakPolarHBondContact CB-SG 3.31Å; C611-C674 WeakPolarHBondContact SG-CA 3.48Å; C611-C674 WeakPolarHBondContact SG-CB 3.21Å; C611-C674 CovalentContact SG-SG 2.04Å; C611-C674 PolarHBondContact SG-SG 2.89Å; C611-H677 WeakPolarHBondContact O-CA 2.96Å
612	G	96.1	Very high	93.1	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	-81.1	-142.3	174.6	0	0	0	0	0	112.6	N593 D608 L614 V662	N593-G612 CarbonylContact O-C 3.51Å; N593-G612 VanDerWaalsContact O-CA 3.3Å; N593-G612 WeakPolarHBondContact O-CA 3.14Å; D608-G612 PolarHBondContact O-N 2.89Å; G612-L614 PolarHBondContact O-N 2.85Å; G612-V662 WeakPolarHBondContact O-CG2 3.41Å; G612-V662 PolarHBondContact O-N 2.81Å
613	Y	96.4	Very high	92.7	Very high	1 Å²	1	55.4 Å²	55.4	0%	0.004	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-59	133.9	-178.5	-164.5	-126	0	0	0	112	Y581 N585 K591 N593 L615 G648 A649 H650 G660 Y661	Y581-Y613 WeakPolarHBondContact CE1-O 3.17Å; N585-Y613 PolarHBondContact ND2-N 3.33Å; N585-Y613 PolarHBondContact ND2-O 3.13Å; N585-Y613 WeakPolarHBondContact OD1-CB 3.34Å; K591-Y613 WeakPolarHBondContact O-CD1 2.95Å; N593-Y613 PolarHBondContact O-N 3.05Å; Y613-L615 HydrophobicContact CD1-CD2 3.98Å; Y613-L615 HydrophobicContact CE1-CD2 4.4Å; Y613-G648 VanDerWaalsContact OH-C 3.23Å; Y613-G648 PolarHBondContact OH-O 3.15Å; Y613-A649 VanDerWaalsContact OH-C 3.26Å; Y613-A649 WeakPolarHBondContact OH-CA 3.19Å; Y613-A649 PolarHBondContact OH-N 2.84Å; Y613-A649 VanDerWaalsContact OH-N 3.1Å; Y613-H650 AromaticContact CD2-CE1 3.96Å; Y613-H650 AromaticContact CE2-CD2 3.96Å; Y613-H650 AromaticContact CE2-CE1 3.47Å; Y613-H650 VanDerWaalsContact CE2-CE1 3.47Å; Y613-H650 WeakPolarHBondContact CE2-CE1 3.47Å; Y613-H650 AromaticContact CE2-ND1 3.8Å; Y613-H650 AromaticContact CE2-NE2 3.59Å; Y613-H650 PolarHBondContact OH-N 2.99Å; Y613-G660 WeakPolarHBondContact CD2-O 3.45Å; Y613-Y661 HydrophobicContact CD2-CE1 4.26Å
614	L	96.8	Very high	92.2	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.026	27%	0.266	C	S	.	.			trans	-78.2	129.9	-179.1	-177.3	72.6	0	0	0	110.1	R561 Q564 I568 G612 G648 G660 V662	R561-L614 HydrophobicContact CB-CD1 4.16Å; R561-L614 HydrophobicContact CG-CD1 4.23Å; Q564-L614 HydrophobicContact CB-CD2 4.31Å; Q564-L614 HydrophobicContact CG-CD2 3.79Å; I568-L614 HydrophobicContact CD1-CD2 3.63Å; G612-L614 PolarHBondContact O-N 2.85Å; L614-G648 WeakPolarHBondContact O-CA 3.23Å; L614-G660 VanDerWaalsContact CB-O 3.31Å; L614-G660 WeakPolarHBondContact CB-O 3.45Å; L614-G660 PolarHBondContact N-O 3.22Å; L614-V662 HydrophobicContact CB-CG2 4.41Å; L614-V662 HydrophobicContact CD1-CG2 3.97Å
615	L	95.4	Very high	91.7	Very high	1 Å²	1	53 Å²	53	1%	0.005	26%	0.264	C	S	.	.			trans	-120.2	125.5	-180	-60.2	167.9	0	0	0	109.5	S576 C580 Y581 L584 Y613	S576-L615 WeakPolarHBondContact CB-O 2.96Å; S576-L615 PolarHBondContact N-O 3.01Å; S576-L615 VanDerWaalsContact OG-C 3.23Å; S576-L615 PolarHBondContact OG-O 2.84Å; C580-L615 VanDerWaalsContact C-CD1 3.49Å; C580-L615 HydrophobicContact CB-CB 4.44Å; C580-L615 HydrophobicContact CB-CD1 3.76Å; C580-L615 WeakPolarHBondContact O-CD1 3.3Å; Y581-L615 HydrophobicContact CD1-CD1 4.02Å; Y581-L615 HydrophobicContact CD1-CG 4.39Å; Y581-L615 HydrophobicContact CD2-CD1 4.45Å; Y581-L615 HydrophobicContact CE1-CB 4.05Å; Y581-L615 HydrophobicContact CE1-CD1 4.31Å; Y581-L615 HydrophobicContact CE1-CG 4.21Å; Y581-L615 HydrophobicContact CE2-CB 4.15Å; Y581-L615 HydrophobicContact CG-CD1 4.09Å; Y581-L615 PolarHBondContact OH-N 3.1Å; Y581-L615 PolarHBondContact OH-O 2.8Å; L584-L615 HydrophobicContact CB-CD1 4.23Å; L584-L615 HydrophobicContact CD1-CD1 4.01Å; L584-L615 HydrophobicContact CD1-CD2 3.97Å; Y613-L615 HydrophobicContact CD1-CD2 3.98Å; Y613-L615 HydrophobicContact CE1-CD2 4.4Å
616	C	94.6	Very high	91.2	Very high	1 Å²	1	52 Å²	52	1%	0.007	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	163.4	-176.3	-56.3	0	0	0	0	111.7	C565 G574 S576 V619 T647	C565-C616 VanDerWaalsContact CA-SG 3.58Å; C565-C616 HydrophobicContact CB-CB 3.81Å; C565-C616 WeakPolarHBondContact CB-SG 3.42Å; C565-C616 VanDerWaalsContact SG-CA 3.57Å; C565-C616 WeakPolarHBondContact SG-CB 2.92Å; C565-C616 CovalentContact SG-SG 2.04Å; C565-C616 PolarHBondContact SG-SG 3.31Å; G574-C616 CarbonylContact O-C 3.58Å; G574-C616 WeakPolarHBondContact O-CA 3.31Å; G574-C616 WeakPolarHBondContact O-CB 3.36Å; S576-C616 WeakPolarHBondContact OG-CA 3.5Å; S576-C616 PolarHBondContact OG-N 2.82Å; S576-C616 PolarHBondContact OG-O 3.33Å; C616-V619 HydrophobicContact CB-CG2 3.51Å; C616-T647 PolarHBondContact N-O 2.81Å; C616-T647 WeakPolarHBondContact O-CB 3.32Å; C616-T647 PolarHBondContact O-N 3.43Å
617	T	92.2	Very high	91	Very high	35 Å²	35	49.4 Å²	49.4	22%	0.215	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	159.2	172.9	55.9	0	0	0	0	109.9	A573 G574 V619 Q645	A573-T617 WeakPolarHBondContact CA-O 3.26Å; G574-T617 PolarHBondContact N-O 2.92Å; G574-T617 PolarHBondContact O-N 2.73Å; G574-T617 PolarHBondContact O-OG1 2.77Å; T617-V619 PolarHBondContact O-N 2.96Å; T617-Q645 WeakPolarHBondContact CG2-O 3.47Å
618	N	88.1	Confident	90.7	Very high	109 Å²	109	44.9 Å²	44.9	58%	0.583	23%	0.233	S	C	*	.	S	Bend	trans	53.7	38	-179	-59.3	-31.7	0	0	0	113.5	K572	K572-N618 WeakPolarHBondContact O-CB 3.41Å; K572-N618 PolarHBondContact O-ND2 2.91Å
619	V	87.4	Confident	90.2	Very high	32 Å²	32	49.9 Å²	49.9	19%	0.194	25%	0.253	C	S	.	.			trans	-72.1	128	-177.8	172	0	0	0	0	110.5	W569 C616 T617 I632 T647	W569-V619 HydrophobicContact CD2-CB 4.41Å; W569-V619 HydrophobicContact CD2-CG1 3.52Å; W569-V619 HydrophobicContact CD2-CG2 4.39Å; W569-V619 HydrophobicContact CE3-CG1 3.56Å; W569-V619 HydrophobicContact CG-CG1 4.13Å; W569-V619 HydrophobicContact CG-CG2 4.25Å; W569-V619 HydrophobicContact CH2-CG1 3.81Å; W569-V619 HydrophobicContact CZ2-CG1 3.8Å; W569-V619 HydrophobicContact CZ3-CG1 3.7Å; C616-V619 HydrophobicContact CB-CG2 3.51Å; T617-V619 PolarHBondContact O-N 2.96Å; V619-I632 HydrophobicContact CG1-CD1 4.29Å; V619-T647 HydrophobicContact CB-CG2 3.85Å; V619-T647 HydrophobicContact CG1-CG2 4.04Å; V619-T647 HydrophobicContact CG2-CG2 3.92Å
620	G	82.1	Confident	89.6	Confident	32 Å²	32	52.2 Å²	52.2	33%	0.33	28%	0.278	S	S	.	.			trans	-72.8	169	171.4	0	0	0	0	0	112.5	W569 T622	W569-G620 WeakPolarHBondContact CZ3-O 3.29Å; G620-T622 VanDerWaalsContact C-N 3.33Å; G620-T622 PolarHBondContact O-N 3.49Å
621	R	79.8	Confident	88.8	Confident	230 Å²	230	57.6 Å²	57.6	87%	0.868	31%	0.308	S	S	*	.	S	Bend	trans	-72.2	-26.1	178.5	-70.3	-173.5	178.4	-174	-0.5	113.8	M628	R621-M628 WeakPolarHBondContact O-CE 3.2Å
622	T	83.9	Confident	88	Confident	112 Å²	112	59.7 Å²	59.7	69%	0.687	32%	0.318	S	S	*	.	S	Bend	trans	-127.2	130.1	-177	50.4	0	0	0	0	108.5	G620	G620-T622 VanDerWaalsContact C-N 3.33Å; G620-T622 PolarHBondContact O-N 3.49Å
623	P	88.7	Confident	87.1	Confident	22 Å²	22	60.4 Å²	60.4	14%	0.143	32%	0.323	C	S	.	.			trans	-66.7	152.1	173.4	31.9	-35.4	0	0	0	109.6	I568 W569 I625 M628 V651	I568-P623 HydrophobicContact CG2-CB 3.96Å; I568-P623 CarbonylContact O-C 3.52Å; I568-P623 WeakPolarHBondContact O-CA 3.4Å; W569-P623 HydrophobicContact CE3-CB 4.04Å; W569-P623 HydrophobicContact CH2-CB 4.42Å; W569-P623 HydrophobicContact CZ3-CB 3.9Å; W569-P623 HydrophobicContact CZ3-CG 4.46Å; P623-I625 VanDerWaalsContact C-N 3.32Å; P623-I625 WeakPolarHBondContact CB-O 3.37Å; P623-M628 HydrophobicContact CG-CB 4.49Å; P623-V651 HydrophobicContact CB-CG1 4.02Å; P623-V651 HydrophobicContact CB-CG2 4.19Å; P623-V651 HydrophobicContact CG-CG1 4.07Å; P623-V651 HydrophobicContact CG-CG2 4.34Å
624	R	86.2	Confident	86.2	Confident	88 Å²	88	64.8 Å²	64.8	33%	0.332	35%	0.351	S	S	.	.	S	Bend	trans	-70	-33.3	173.6	-174.4	178.4	72	131.2	11.5	111.4	E437 Y567 I568	E437-R624 IonicContact OE1-CZ 3.23Å; E437-R624 IonicContact OE1-NH1 3.28Å; E437-R624 IonicContact OE1-NH2 2.78Å; E437-R624 PolarHBondContact OE1-NH2 3.5Å; E437-R624 IonicContact OE2-CZ 2.65Å; E437-R624 IonicContact OE2-NH1 2.8Å; E437-R624 PolarHBondContact OE2-NH1 3.17Å; E437-R624 IonicContact OE2-NH2 2.77Å; E437-R624 PolarHBondContact OE2-NH2 3.35Å; Y567-R624 PolarHBondContact O-NE 3.24Å; Y567-R624 VanDerWaalsContact O-NE 3.09Å; Y567-R624 PolarHBondContact O-NH2 3Å; I568-R624 WeakPolarHBondContact O-CB 3.36Å; I568-R624 PolarHBondContact O-N 3.43Å
625	I	86.5	Confident	85.4	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.005	36%	0.357	C	S	.	.	S	Bend	trans	-127.8	144.6	-178.4	176.3	165.6	0	0	0	110.8	F359 Q395 Y567 P623 V651 L653 L659	F359-I625 HydrophobicContact CE1-CD1 3.93Å; F359-I625 HydrophobicContact CZ-CD1 3.87Å; Q395-I625 VanDerWaalsContact CD-CG1 3.4Å; Q395-I625 HydrophobicContact CG-CD1 4.14Å; Q395-I625 HydrophobicContact CG-CG1 4.23Å; Q395-I625 VanDerWaalsContact NE2-CD1 3.31Å; Y567-I625 HydrophobicContact CD1-CG2 4.29Å; Y567-I625 HydrophobicContact CE1-CD1 3.83Å; Y567-I625 HydrophobicContact CE1-CG2 4.1Å; Y567-I625 HydrophobicContact CE2-CD1 4.17Å; Y567-I625 HydrophobicContact CE2-CG2 4.49Å; Y567-I625 WeakPolarHBondContact OH-CD1 3.45Å; P623-I625 VanDerWaalsContact C-N 3.32Å; P623-I625 WeakPolarHBondContact CB-O 3.37Å; I625-V651 WeakPolarHBondContact O-CG1 3.18Å; I625-L653 HydrophobicContact CD1-CD2 3.71Å; I625-L653 HydrophobicContact CG1-CD2 3.55Å; I625-L659 HydrophobicContact CD1-CD1 4.45Å; I625-L659 HydrophobicContact CG1-CD1 4.42Å; I625-L659 HydrophobicContact CG2-CD1 3.98Å
626	G	86.9	Confident	84.7	Confident	27 Å²	27	69.5 Å²	69.5	28%	0.278	38%	0.384	S	S	.	.	S	Bend	trans	72	-174.8	176	0	0	0	0	0	113.3	L652	G626-L652 CarbonylContact C-O 3.57Å; G626-L652 WeakPolarHBondContact CA-O 3.45Å
627	M	87.5	Confident	84	Confident	131 Å²	131	71.9 Å²	71.9	65%	0.645	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115	131.8	-179.3	-64.2	-172.6	67.2	0	0	110.5	K629 L652	M627-K629 PolarHBondContact O-N 2.87Å; M627-L652 PolarHBondContact N-O 3.27Å; M627-L652 PolarHBondContact O-N 3.2Å
628	M	88.1	Confident	83.2	Confident	54 Å²	54	76 Å²	76	27%	0.266	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	130.5	174.7	-166.7	-177	-53	0	0	110.3	W569 R621 P623 I632 A649 H650	W569-M628 HydrophobicContact CH2-CE 3.69Å; W569-M628 HydrophobicContact CZ3-CE 3.79Å; R621-M628 WeakPolarHBondContact O-CE 3.2Å; P623-M628 HydrophobicContact CG-CB 4.49Å; M628-I632 HydrophobicContact CE-CD1 3.95Å; M628-I632 HydrophobicContact CE-CG1 3.66Å; M628-I632 HydrophobicContact SD-CD1 4.4Å; M628-I632 HydrophobicContact SD-CG1 3.53Å; M628-I632 VanDerWaalsContact SD-CG1 3.53Å; M628-A649 HydrophobicContact CG-CB 4.2Å; M628-A649 HydrophobicContact SD-CB 4.33Å; M628-H650 WeakPolarHBondContact CA-O 3.34Å
629	K	87.1	Confident	82.6	Confident	137 Å²	137	73.8 Å²	73.8	60%	0.596	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	119	172.4	179.8	173.6	174.9	-178	0	109.7	M627 H650 L652	M627-K629 PolarHBondContact O-N 2.87Å; K629-H650 HydrophobicContact CB-CB 4.25Å; K629-H650 PolarHBondContact N-O 3.11Å; K629-L652 HydrophobicContact CB-CD1 4.12Å; K629-L652 HydrophobicContact CB-CG 4.18Å; K629-L652 HydrophobicContact CD-CD1 3.51Å; K629-L652 HydrophobicContact CD-CG 4.3Å; K629-L652 HydrophobicContact CG-CD1 4.45Å
630	G	83.8	Confident	82	Confident	51 Å²	51	80.6 Å²	80.6	53%	0.526	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	78.6	-161.9	-173.6	0	0	0	0	0	111.8
631	D	79.7	Confident	81.7	Confident	140 Å²	140	81.8 Å²	81.8	75%	0.749	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	154	178.9	-70	-45.1	0	0	0	111.2	T633	D631-T633 PolarHBondContact O-N 3.39Å
632	I	80.1	Confident	81.6	Confident	44 Å²	44	76.4 Å²	76.4	23%	0.226	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	137.4	165.3	-58.4	177.6	0	0	0	107.8	V619 M628 P634 T647 A649	V619-I632 HydrophobicContact CG1-CD1 4.29Å; M628-I632 HydrophobicContact CE-CD1 3.95Å; M628-I632 HydrophobicContact CE-CG1 3.66Å; M628-I632 HydrophobicContact SD-CD1 4.4Å; M628-I632 HydrophobicContact SD-CG1 3.53Å; M628-I632 VanDerWaalsContact SD-CG1 3.53Å; I632-P634 WeakPolarHBondContact O-CD 3.07Å; I632-T647 HydrophobicContact CG2-CG2 3.15Å; I632-A649 HydrophobicContact CG1-CB 4.36Å
633	T	78.8	Confident	81.5	Confident	15 Å²	15	75.9 Å²	75.9	9%	0.092	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	85.5	172.5	-54.4	0	0	0	0	110.6	K591 D631 T635 G648	K591-T633 HydrophobicContact CB-CG2 3.57Å; K591-T633 HydrophobicContact CD-CG2 3.54Å; K591-T633 HydrophobicContact CG-CG2 3.33Å; D631-T633 PolarHBondContact O-N 3.39Å; T633-T635 PolarHBondContact O-N 2.89Å; T633-G648 PolarHBondContact N-O 3.49Å; T633-G648 PolarHBondContact O-N 3.25Å
634	P	77.3	Confident	81.2	Confident	93 Å²	93	75.2 Å²	75.2	60%	0.604	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	125.2	172.6	31.6	-34.3	0	0	0	109.6	I632	I632-P634 WeakPolarHBondContact O-CD 3.07Å
635	T	79.8	Confident	81.1	Confident	24 Å²	24	76 Å²	76	15%	0.147	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.6	168.6	-45.7	0	0	0	0	109.1	L584 T633 F637 C646	L584-T635 HydrophobicContact CD2-CG2 4.3Å; T633-T635 PolarHBondContact O-N 2.89Å; T635-F637 HydrophobicContact CG2-CD2 4.21Å; T635-F637 HydrophobicContact CG2-CE1 4.05Å; T635-F637 HydrophobicContact CG2-CE2 3.44Å; T635-F637 VanDerWaalsContact CG2-CE2 3.44Å; T635-F637 HydrophobicContact CG2-CZ 3.35Å; T635-C646 PolarHBondContact N-O 3.43Å; T635-C646 WeakPolarHBondContact O-CA 3.29Å; T635-C646 PolarHBondContact O-N 2.94Å; T635-C646 VanDerWaalsContact O-O 3.11Å
636	S	80.5	Confident	81.4	Confident	81 Å²	81	75.9 Å²	75.9	57%	0.566	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.1	176.5	60.1	0	0	0	0	110.2	I644	S636-I644 CarbonylContact C-O 3.53Å; S636-I644 VanDerWaalsContact CA-O 3.26Å; S636-I644 WeakPolarHBondContact CA-O 3.48Å
637	F	78.9	Confident	81.6	Confident	52 Å²	52	75.3 Å²	75.3	23%	0.228	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.3	177.1	-60.6	-82.4	0	0	0	110.2	F579 L584 T635 H639 V643 I644 C646	F579-F637 HydrophobicContact CE1-CB 4.05Å; F579-F637 HydrophobicContact CE1-CD2 4.44Å; F579-F637 HydrophobicContact CE1-CG 4.15Å; L584-F637 HydrophobicContact CD1-CE2 4.19Å; L584-F637 HydrophobicContact CD2-CE2 4.09Å; L584-F637 HydrophobicContact CD2-CZ 3.71Å; L584-F637 HydrophobicContact CG-CE2 4.09Å; L584-F637 HydrophobicContact CG-CZ 4.14Å; T635-F637 HydrophobicContact CG2-CD2 4.21Å; T635-F637 HydrophobicContact CG2-CE1 4.05Å; T635-F637 HydrophobicContact CG2-CE2 3.44Å; T635-F637 VanDerWaalsContact CG2-CE2 3.44Å; T635-F637 HydrophobicContact CG2-CZ 3.35Å; F637-H639 PolarHBondContact O-N 1.98Å; F637-V643 CarbonylContact O-C 3.2Å; F637-V643 WeakPolarHBondContact O-CA 3.36Å; F637-I644 PolarHBondContact N-O 3.44Å; F637-I644 PolarHBondContact O-N 3.25Å; F637-C646 VanDerWaalsContact CD2-SG 3.54Å; F637-C646 HydrophobicContact CE2-CB 4.36Å
638	N	76.9	Confident	81.7	Confident	122 Å²	122	69.1 Å²	69.1	65%	0.652	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	108.3	166.1	-168.7	-17.3	0	0	0	108.4	G641	N638-G641 VanDerWaalsContact OD1-CA 3.29Å; N638-G641 WeakPolarHBondContact OD1-CA 3.43Å; N638-G641 PolarHBondContact OD1-N 3.19Å
639	H	73.7	Confident	81.8	Confident	61 Å²	61	66.8 Å²	66.8	28%	0.282	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	114.4	176.4	-167.9	80.3	0	0	0	108.8	F579 F637 G641 N642 I644	F579-H639 AromaticContact CD2-CE1 3.84Å; F579-H639 AromaticContact CD2-ND1 3.83Å; F579-H639 AromaticContact CE2-CE1 3.84Å; F579-H639 AromaticContact CE2-ND1 3.59Å; F579-H639 AromaticContact CZ-ND1 3.74Å; F637-H639 PolarHBondContact O-N 1.98Å; H639-G641 PolarHBondContact O-N 3.06Å; H639-G641 VanDerWaalsContact O-N 3.14Å; H639-N642 PolarHBondContact N-O 2.99Å; H639-N642 PolarHBondContact O-N 3.27Å; H639-I644 HydrophobicContact CB-CD1 3.43Å; H639-I644 VanDerWaalsContact CB-CD1 3.43Å; H639-I644 HydrophobicContact CB-CG1 4.09Å
640	Q	76.1	Confident	82	Confident	175 Å²	175	61 Å²	61	82%	0.818	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	30.9	178	-57	179.7	-4.2	0	0	114.6
641	G	75.4	Confident	82.4	Confident	58 Å²	58	58.6 Å²	58.6	60%	0.598	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	91	-7	-179.4	0	0	0	0	0	114.5	N638 H639	N638-G641 VanDerWaalsContact OD1-CA 3.29Å; N638-G641 WeakPolarHBondContact OD1-CA 3.43Å; N638-G641 PolarHBondContact OD1-N 3.19Å; H639-G641 PolarHBondContact O-N 3.06Å; H639-G641 VanDerWaalsContact O-N 3.14Å
642	N	78.8	Confident	83	Confident	116 Å²	116	53.5 Å²	53.5	62%	0.62	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	135.3	174.7	-66.7	-28.1	0	0	0	110.5	H639 I644	H639-N642 PolarHBondContact N-O 2.99Å; H639-N642 PolarHBondContact O-N 3.27Å; N642-I644 PolarHBondContact O-N 3.21Å
643	V	79.9	Confident	83.4	Confident	101 Å²	101	52 Å²	52	61%	0.612	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	104.9	173.9	-178.2	0	0	0	0	108.5	F637	F637-V643 CarbonylContact O-C 3.2Å; F637-V643 WeakPolarHBondContact O-CA 3.36Å
644	I	83	Confident	83.7	Confident	9 Å²	9	52.7 Å²	52.7	5%	0.046	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.1	175.9	-57	178.1	0	0	0	108.5	E577 F579 C580 S636 F637 H639 N642	E577-I644 HydrophobicContact CB-CG2 4.39Å; E577-I644 HydrophobicContact CG-CG2 4.43Å; E577-I644 VanDerWaalsContact OE2-CD1 3.31Å; E577-I644 WeakPolarHBondContact OE2-CD1 3.25Å; F579-I644 HydrophobicContact CD1-CD1 4.37Å; C580-I644 VanDerWaalsContact SG-CG2 3.55Å; S636-I644 CarbonylContact C-O 3.53Å; S636-I644 VanDerWaalsContact CA-O 3.26Å; S636-I644 WeakPolarHBondContact CA-O 3.48Å; F637-I644 PolarHBondContact N-O 3.44Å; F637-I644 PolarHBondContact O-N 3.25Å; H639-I644 HydrophobicContact CB-CD1 3.43Å; H639-I644 VanDerWaalsContact CB-CD1 3.43Å; H639-I644 HydrophobicContact CB-CG1 4.09Å; N642-I644 PolarHBondContact O-N 3.21Å
645	Q	85.4	Confident	84.1	Confident	103 Å²	103	48.5 Å²	48.5	48%	0.481	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	125.7	171.8	-67.3	-176.9	-12.3	0	0	110.3	S576 T617	S576-Q645 PolarHBondContact OG-O 2.9Å; T617-Q645 WeakPolarHBondContact CG2-O 3.47Å
646	C	90.9	Very high	84.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	104.1	175.3	-46.8	0	0	0	0	107.1	C580 L584 T635 F637	C580-C646 VanDerWaalsContact CA-SG 3.6Å; C580-C646 HydrophobicContact CB-CB 3.61Å; C580-C646 WeakPolarHBondContact CB-SG 3.38Å; C580-C646 WeakPolarHBondContact SG-CB 3.45Å; C580-C646 CovalentContact SG-SG 2.03Å; C580-C646 PolarHBondContact SG-SG 3.4Å; L584-C646 HydrophobicContact CD1-CB 3.7Å; T635-C646 PolarHBondContact N-O 3.43Å; T635-C646 WeakPolarHBondContact O-CA 3.29Å; T635-C646 PolarHBondContact O-N 2.94Å; T635-C646 VanDerWaalsContact O-O 3.11Å; F637-C646 VanDerWaalsContact CD2-SG 3.54Å; F637-C646 HydrophobicContact CE2-CB 4.36Å
647	T	91.1	Very high	85	Confident	15 Å²	15	49 Å²	49	9%	0.092	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	121.8	-175.1	-57.7	0	0	0	0	110.1	C616 V619 I632	C616-T647 PolarHBondContact N-O 2.81Å; C616-T647 WeakPolarHBondContact O-CB 3.32Å; C616-T647 PolarHBondContact O-N 3.43Å; V619-T647 HydrophobicContact CB-CG2 3.85Å; V619-T647 HydrophobicContact CG1-CG2 4.04Å; V619-T647 HydrophobicContact CG2-CG2 3.92Å; I632-T647 HydrophobicContact CG2-CG2 3.15Å
648	G	89.9	Confident	85.6	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	156.5	173.8	0	0	0	0	0	111.2	Y613 L614 T633	Y613-G648 VanDerWaalsContact OH-C 3.23Å; Y613-G648 PolarHBondContact OH-O 3.15Å; L614-G648 WeakPolarHBondContact O-CA 3.23Å; T633-G648 PolarHBondContact N-O 3.49Å; T633-G648 PolarHBondContact O-N 3.25Å
649	A	91.6	Very high	86.4	Confident	4 Å²	4	42.9 Å²	42.9	3%	0.033	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	149.3	167.9	0	0	0	0	0	109.6	W569 Y613 M628 I632 V651 G660	W569-A649 HydrophobicContact CH2-CB 3.7Å; W569-A649 HydrophobicContact CZ2-CB 3.67Å; Y613-A649 VanDerWaalsContact OH-C 3.26Å; Y613-A649 WeakPolarHBondContact OH-CA 3.19Å; Y613-A649 PolarHBondContact OH-N 2.84Å; Y613-A649 VanDerWaalsContact OH-N 3.1Å; M628-A649 HydrophobicContact CG-CB 4.2Å; M628-A649 HydrophobicContact SD-CB 4.33Å; I632-A649 HydrophobicContact CG1-CB 4.36Å; A649-V651 HydrophobicContact CB-CG2 4.44Å; A649-V651 PolarHBondContact O-N 3.3Å; A649-G660 VanDerWaalsContact O-CA 3.25Å; A649-G660 WeakPolarHBondContact O-CA 3.36Å
650	H	91.6	Very high	87.3	Confident	15 Å²	15	40.1 Å²	40.1	7%	0.069	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	120.3	167.5	-66.7	-77.2	0	0	0	109	W601 Y613 M628 K629 D658 Y661	W601-H650 AromaticContact CH2-CE1 3.88Å; W601-H650 AromaticContact CH2-NE2 3.51Å; W601-H650 AromaticContact CZ3-CE1 3.99Å; W601-H650 AromaticContact CZ3-NE2 3.99Å; Y613-H650 AromaticContact CD2-CE1 3.96Å; Y613-H650 AromaticContact CE2-CD2 3.96Å; Y613-H650 AromaticContact CE2-CE1 3.47Å; Y613-H650 VanDerWaalsContact CE2-CE1 3.47Å; Y613-H650 WeakPolarHBondContact CE2-CE1 3.47Å; Y613-H650 AromaticContact CE2-ND1 3.8Å; Y613-H650 AromaticContact CE2-NE2 3.59Å; Y613-H650 PolarHBondContact OH-N 2.99Å; M628-H650 WeakPolarHBondContact CA-O 3.34Å; K629-H650 HydrophobicContact CB-CB 4.25Å; K629-H650 PolarHBondContact N-O 3.11Å; H650-D658 IonicContact CE1-OD2 3.66Å; H650-D658 IonicContact CG-OD2 2.71Å; H650-D658 IonicContact ND1-OD1 3.53Å; H650-D658 IonicContact ND1-OD2 2.81Å; H650-D658 PolarHBondContact ND1-OD2 3.11Å; H650-Y661 AromaticContact CE1-CE2 3.84Å; H650-Y661 AromaticContact CE1-CZ 3.93Å; H650-Y661 AromaticContact ND1-CE2 3.97Å
651	V	92.2	Very high	88.3	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	104.1	-178.6	179.5	0	0	0	0	107.4	I568 W569 P623 I625 A649 D658 L659	I568-V651 HydrophobicContact CG2-CB 4.28Å; I568-V651 HydrophobicContact CG2-CG1 4.24Å; I568-V651 HydrophobicContact CG2-CG2 3.85Å; W569-V651 HydrophobicContact CH2-CG2 4.17Å; W569-V651 HydrophobicContact CZ2-CG2 4.05Å; P623-V651 HydrophobicContact CB-CG1 4.02Å; P623-V651 HydrophobicContact CB-CG2 4.19Å; P623-V651 HydrophobicContact CG-CG1 4.07Å; P623-V651 HydrophobicContact CG-CG2 4.34Å; I625-V651 WeakPolarHBondContact O-CG1 3.18Å; A649-V651 HydrophobicContact CB-CG2 4.44Å; A649-V651 PolarHBondContact O-N 3.3Å; V651-D658 PolarHBondContact N-OD1 3.19Å; V651-D658 VanDerWaalsContact N-OD1 3.15Å; V651-L659 HydrophobicContact CB-CB 4.31Å; V651-L659 PolarHBondContact O-N 3.34Å
652	L	91.5	Very high	89.3	Confident	34 Å²	34	30 Å²	30	18%	0.178	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	130.2	-176.1	-59.1	-172.5	0	0	0	110.5	G626 M627 K629 T657 D658	G626-L652 CarbonylContact C-O 3.57Å; G626-L652 WeakPolarHBondContact CA-O 3.45Å; M627-L652 PolarHBondContact N-O 3.27Å; M627-L652 PolarHBondContact O-N 3.2Å; K629-L652 HydrophobicContact CB-CD1 4.12Å; K629-L652 HydrophobicContact CB-CG 4.18Å; K629-L652 HydrophobicContact CD-CD1 3.51Å; K629-L652 HydrophobicContact CD-CG 4.3Å; K629-L652 HydrophobicContact CG-CD1 4.45Å; L652-T657 WeakPolarHBondContact CA-O 3.4Å; L652-D658 HydrophobicContact CD2-CB 3.58Å
653	L	89.3	Confident	90	Very high	12 Å²	12	26.6 Å²	26.6	6%	0.063	14%	0.142	C	C	.	.			trans	-76.3	171.8	160.3	-62.1	-176	0	0	0	110.2	F359 I625 D655 D656 T657 L659	F359-L653 HydrophobicContact CB-CD1 3.84Å; F359-L653 HydrophobicContact CD1-CD1 3.82Å; F359-L653 HydrophobicContact CG-CD1 3.91Å; I625-L653 HydrophobicContact CD1-CD2 3.71Å; I625-L653 HydrophobicContact CG1-CD2 3.55Å; L653-D655 WeakPolarHBondContact CB-OD1 3.49Å; L653-D655 PolarHBondContact O-N 3.21Å; L653-D656 PolarHBondContact O-N 2.99Å; L653-D656 VanDerWaalsContact O-N 3.16Å; L653-T657 HydrophobicContact CD1-CG2 4.38Å; L653-T657 PolarHBondContact N-O 2.58Å; L653-L659 HydrophobicContact CD1-CD1 4.22Å; L653-L659 HydrophobicContact CD1-CD2 4.04Å; L653-L659 HydrophobicContact CD1-CG 4.19Å; L653-L659 HydrophobicContact CD2-CD1 3.75Å; L653-L659 HydrophobicContact CD2-CG 4.31Å; L653-L659 HydrophobicContact CG-CD1 3.96Å; L653-L659 HydrophobicContact CG-CD2 4.36Å; L653-L659 HydrophobicContact CG-CG 3.97Å
654	D	83.9	Confident	90.7	Very high	29 Å²	29	24.6 Å²	24.6	16%	0.155	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-20.4	-175.7	-59.8	-53.4	0	0	0	114	Y351 R353 W396 D656	Y351-D654 PolarHBondContact OH-O 3.03Å; R353-D654 IonicContact CZ-OD1 2.77Å; R353-D654 VanDerWaalsContact CZ-OD1 3.25Å; R353-D654 IonicContact NH1-OD1 2.81Å; R353-D654 PolarHBondContact NH1-OD1 3.33Å; R353-D654 IonicContact NH1-OD2 3.05Å; R353-D654 IonicContact NH2-OD1 2.85Å; R353-D654 PolarHBondContact NH2-OD1 3.26Å; R353-D654 IonicContact NH2-OD2 3.35Å; W396-D654 PolarHBondContact NE1-OD2 3.34Å; D654-D656 VanDerWaalsContact C-N 3.3Å
655	D	86.3	Confident	91.1	Very high	5 Å²	5	24.2 Å²	24.2	3%	0.027	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	14.2	176.5	65.8	-3.6	0	0	0	113.5	Y358 F359 R367 L653 T657	Y358-D655 WeakPolarHBondContact CA-OD2 3.41Å; Y358-D655 HydrophobicContact CD1-CB 3.98Å; Y358-D655 WeakPolarHBondContact CD1-OD2 3.38Å; F359-D655 PolarHBondContact N-OD2 3.41Å; R367-D655 IonicContact NH2-OD2 3.54Å; R367-D655 PolarHBondContact NH2-OD2 2.9Å; L653-D655 WeakPolarHBondContact CB-OD1 3.49Å; L653-D655 PolarHBondContact O-N 3.21Å; D655-T657 PolarHBondContact O-N 3.5Å; D655-T657 WeakPolarHBondContact OD1-CB 3.33Å; D655-T657 PolarHBondContact OD1-N 2.94Å; D655-T657 PolarHBondContact OD1-OG1 2.98Å; D655-T657 PolarHBondContact OD2-OG1 3.26Å
656	D	88	Confident	91.6	Very high	79 Å²	79	19.3 Å²	19.3	42%	0.422	10%	0.103	S	C	.	.	S	Bend	trans	64.1	10.4	-169.8	-73.4	-24.6	0	0	0	114.7	L320 R324 L653 D654 D658	L320-D656 HydrophobicContact CD1-CB 4.44Å; L320-D656 VanDerWaalsContact CD1-CG 3.5Å; L320-D656 VanDerWaalsContact CD1-OD2 3.31Å; L320-D656 WeakPolarHBondContact CD1-OD2 3.43Å; R324-D656 IonicContact NH2-OD2 3.49Å; R324-D656 PolarHBondContact NH2-OD2 3.08Å; R324-D656 VanDerWaalsContact NH2-OD2 3.11Å; L653-D656 PolarHBondContact O-N 2.99Å; L653-D656 VanDerWaalsContact O-N 3.16Å; D654-D656 VanDerWaalsContact C-N 3.3Å; D656-D658 PolarHBondContact O-N 3.12Å
657	T	89.9	Confident	91.8	Very high	36 Å²	36	20.3 Å²	20.3	22%	0.221	11%	0.11	C	C	.	.			trans	-65	122	173	-58.2	0	0	0	0	109.4	R367 L652 L653 D655 L659	R367-T657 PolarHBondContact NH2-OG1 3.42Å; L652-T657 WeakPolarHBondContact CA-O 3.4Å; L653-T657 HydrophobicContact CD1-CG2 4.38Å; L653-T657 PolarHBondContact N-O 2.58Å; D655-T657 PolarHBondContact O-N 3.5Å; D655-T657 WeakPolarHBondContact OD1-CB 3.33Å; D655-T657 PolarHBondContact OD1-N 2.94Å; D655-T657 PolarHBondContact OD1-OG1 2.98Å; D655-T657 PolarHBondContact OD2-OG1 3.26Å; T657-L659 HydrophobicContact CG2-CD2 4.35Å
658	D	92.3	Very high	92	Very high	39 Å²	39	20.3 Å²	20.3	21%	0.209	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-92.3	105.1	178.2	-169.7	0.3	0	0	0	111.2	H650 V651 L652 D656 G660 Y661	H650-D658 IonicContact CE1-OD2 3.66Å; H650-D658 IonicContact CG-OD2 2.71Å; H650-D658 IonicContact ND1-OD1 3.53Å; H650-D658 IonicContact ND1-OD2 2.81Å; H650-D658 PolarHBondContact ND1-OD2 3.11Å; V651-D658 PolarHBondContact N-OD1 3.19Å; V651-D658 VanDerWaalsContact N-OD1 3.15Å; L652-D658 HydrophobicContact CD2-CB 3.58Å; D656-D658 PolarHBondContact O-N 3.12Å; D658-G660 PolarHBondContact O-N 3.39Å; D658-G660 WeakPolarHBondContact OD1-CA 3.42Å; D658-G660 PolarHBondContact OD1-N 2.75Å; D658-Y661 HydrophobicContact CB-CD2 4.14Å; D658-Y661 WeakPolarHBondContact OD2-CD2 3.43Å; D658-Y661 VanDerWaalsContact OD2-CE2 3.26Å; D658-Y661 WeakPolarHBondContact OD2-CE2 3.41Å
659	L	93	Very high	92.1	Very high	8 Å²	8	21.3 Å²	21.3	4%	0.042	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-5.6	174.4	-59.1	-176.9	0	0	0	112.8	Q564 Y567 I568 I625 V651 L653 T657 Y661	Q564-L659 PolarHBondContact NE2-O 3.31Å; Q564-L659 VanDerWaalsContact NE2-O 3.15Å; Y567-L659 HydrophobicContact CD1-CD1 4.49Å; Y567-L659 HydrophobicContact CE1-CD1 4.13Å; I568-L659 HydrophobicContact CD1-CB 3.75Å; I568-L659 WeakPolarHBondContact CD1-O 3.48Å; I568-L659 HydrophobicContact CG1-CB 4.03Å; I568-L659 HydrophobicContact CG1-CD1 4.17Å; I625-L659 HydrophobicContact CD1-CD1 4.45Å; I625-L659 HydrophobicContact CG1-CD1 4.42Å; I625-L659 HydrophobicContact CG2-CD1 3.98Å; V651-L659 HydrophobicContact CB-CB 4.31Å; V651-L659 PolarHBondContact O-N 3.34Å; L653-L659 HydrophobicContact CD1-CD1 4.22Å; L653-L659 HydrophobicContact CD1-CD2 4.04Å; L653-L659 HydrophobicContact CD1-CG 4.19Å; L653-L659 HydrophobicContact CD2-CD1 3.75Å; L653-L659 HydrophobicContact CD2-CG 4.31Å; L653-L659 HydrophobicContact CG-CD1 3.96Å; L653-L659 HydrophobicContact CG-CD2 4.36Å; L653-L659 HydrophobicContact CG-CG 3.97Å; T657-L659 HydrophobicContact CG2-CD2 4.35Å; L659-Y661 PolarHBondContact O-N 3.19Å
660	G	93.5	Very high	92	Very high	2 Å²	2	27 Å²	27	2%	0.021	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-7.1	174.6	0	0	0	0	0	114.3	Y613 L614 A649 D658	Y613-G660 WeakPolarHBondContact CD2-O 3.45Å; L614-G660 VanDerWaalsContact CB-O 3.31Å; L614-G660 WeakPolarHBondContact CB-O 3.45Å; L614-G660 PolarHBondContact N-O 3.22Å; A649-G660 VanDerWaalsContact O-CA 3.25Å; A649-G660 WeakPolarHBondContact O-CA 3.36Å; D658-G660 PolarHBondContact O-N 3.39Å; D658-G660 WeakPolarHBondContact OD1-CA 3.42Å; D658-G660 PolarHBondContact OD1-N 2.75Å
661	Y	96.3	Very high	91.9	Very high	17 Å²	17	29.2 Å²	29.2	7%	0.067	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-106	153.6	172.1	-71	-82.9	0	0	0	111.5	Q564 N593 G595 Y613 H650 D658 L659 E663 H677	Q564-Y661 PolarHBondContact NE2-O 3.17Å; N593-Y661 VanDerWaalsContact OD1-CE1 3.22Å; N593-Y661 WeakPolarHBondContact OD1-CE1 2.96Å; N593-Y661 VanDerWaalsContact OD1-CZ 3.29Å; N593-Y661 PolarHBondContact OD1-OH 2.91Å; G595-Y661 WeakPolarHBondContact CA-OH 3.04Å; Y613-Y661 HydrophobicContact CD2-CE1 4.26Å; H650-Y661 AromaticContact CE1-CE2 3.84Å; H650-Y661 AromaticContact CE1-CZ 3.93Å; H650-Y661 AromaticContact ND1-CE2 3.97Å; D658-Y661 HydrophobicContact CB-CD2 4.14Å; D658-Y661 WeakPolarHBondContact OD2-CD2 3.43Å; D658-Y661 VanDerWaalsContact OD2-CE2 3.26Å; D658-Y661 WeakPolarHBondContact OD2-CE2 3.41Å; L659-Y661 PolarHBondContact O-N 3.19Å; Y661-E663 PolarHBondContact O-N 3.04Å; Y661-H677 WeakPolarHBondContact CB-NE2 3.24Å; Y661-H677 AromaticContact CD1-CD2 3.9Å; Y661-H677 AromaticContact CD1-NE2 3.73Å; Y661-H677 AromaticContact CD2-NE2 3.97Å; Y661-H677 AromaticContact CG-CD2 3.96Å; Y661-H677 AromaticContact CG-NE2 3.43Å
662	V	96.9	Very high	91.9	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.024	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-61.4	125.2	175.5	174.5	0	0	0	0	110	R561 Y581 G612 L614 T666 C674	R561-V662 HydrophobicContact CG-CG1 4.18Å; R561-V662 HydrophobicContact CG-CG2 4.19Å; Y581-V662 HydrophobicContact CE1-CG2 4.23Å; G612-V662 WeakPolarHBondContact O-CG2 3.41Å; G612-V662 PolarHBondContact O-N 2.81Å; L614-V662 HydrophobicContact CB-CG2 4.41Å; L614-V662 HydrophobicContact CD1-CG2 3.97Å; V662-T666 HydrophobicContact CG1-CG2 3.65Å; V662-C674 HydrophobicContact CG1-CB 4.48Å
663	E	94.8	Very high	92	Very high	45 Å²	45	30 Å²	30	21%	0.21	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-61.9	146.1	-178.2	-86	173	-159.3	0	0	113.1	K559 Q564 Y661 T666	K559-E663 WeakPolarHBondContact CD-OE2 3.47Å; K559-E663 WeakPolarHBondContact CE-OE2 3.48Å; K559-E663 IonicContact NZ-OE2 2.75Å; K559-E663 PolarHBondContact NZ-OE2 3.18Å; Q564-E663 HydrophobicContact CG-CG 4.44Å; Q564-E663 VanDerWaalsContact OE1-N 3.12Å; Y661-E663 PolarHBondContact O-N 3.04Å; E663-T666 WeakPolarHBondContact O-CB 3.42Å; E663-T666 PolarHBondContact O-N 3.34Å; E663-T666 PolarHBondContact O-OG1 3.26Å
664	D	93.1	Very high	92.3	Very high	59 Å²	59	29.5 Å²	29.5	32%	0.316	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	145.2	170.5	-70.1	-19.2	0	0	0	111.4	Y554 T666 C674 L675 D676	Y554-D664 WeakPolarHBondContact CD1-O 3.3Å; Y554-D664 HydrophobicContact CE1-CB 3.92Å; D664-T666 VanDerWaalsContact C-N 3.25Å; D664-T666 PolarHBondContact O-N 3.26Å; D664-C674 CarbonylContact C-O 2.93Å; D664-C674 WeakPolarHBondContact CA-O 3.38Å; D664-L675 HydrophobicContact CB-CD1 4.17Å; D664-L675 VanDerWaalsContact OD1-CA 3.28Å; D664-L675 WeakPolarHBondContact OD1-CA 3.2Å; D664-D676 PolarHBondContact OD1-N 3.14Å
665	G	92.6	Very high	92.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	-13.8	-173.3	0	0	0	0	0	114.5	R552 C674	R552-G665 WeakPolarHBondContact CB-O 3.16Å; G665-C674 PolarHBondContact N-O 3.44Å
666	T	95.6	Very high	93	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	21%	0.207	C	C	.	.			trans	-65.7	136.9	179.7	-59.4	0	0	0	0	111.9	R561 V662 E663 D664 C668 M673 C674	R561-T666 HydrophobicContact CG-CG2 3.79Å; V662-T666 HydrophobicContact CG1-CG2 3.65Å; E663-T666 WeakPolarHBondContact O-CB 3.42Å; E663-T666 PolarHBondContact O-N 3.34Å; E663-T666 PolarHBondContact O-OG1 3.26Å; D664-T666 VanDerWaalsContact C-N 3.25Å; D664-T666 PolarHBondContact O-N 3.26Å; T666-C668 PolarHBondContact O-N 3.34Å; T666-M673 CarbonylContact O-C 3.55Å; T666-M673 VanDerWaalsContact O-CA 3.3Å; T666-M673 WeakPolarHBondContact O-CA 3.46Å; T666-C674 PolarHBondContact O-N 2.73Å; T666-C674 PolarHBondContact O-SG 3.32Å
667	P	95.3	Very high	93.4	Very high	20 Å²	20	34.2 Å²	34.2	13%	0.13	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	124.8	178.8	24.8	-33.2	0	0	0	113.1	Q550 R552 K559 R561	Q550-P667 WeakPolarHBondContact O-CG 3.4Å; R552-P667 HydrophobicContact CG-CB 4.11Å; R552-P667 HydrophobicContact CG-CG 4.39Å; K559-P667 WeakPolarHBondContact O-CD 3.18Å; R561-P667 PolarHBondContact NH1-O 2.85Å
668	C	94.6	Very high	93.6	Very high	15 Å²	15	37.8 Å²	37.8	10%	0.101	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	-10.3	174	59	0	0	0	0	113.6	F610 C611 T666 M673 C679	F610-C668 HydrophobicContact CB-CB 3.91Å; C611-C668 WeakPolarHBondContact SG-CB 3.44Å; T666-C668 PolarHBondContact O-N 3.34Å; C668-M673 VanDerWaalsContact SG-C 3.52Å; C668-C679 HydrophobicContact CB-CB 3.74Å; C668-C679 WeakPolarHBondContact CB-SG 3.46Å; C668-C679 WeakPolarHBondContact SG-CA 3.39Å; C668-C679 WeakPolarHBondContact SG-CB 3.5Å; C668-C679 CovalentContact SG-SG 2.03Å; C668-C679 PolarHBondContact SG-SG 3.05Å
669	G	91.6	Very high	93.8	Very high	23 Å²	23	36.5 Å²	36.5	24%	0.237	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	178	178.1	0	0	0	0	0	113.2	S671 M672	G669-S671 PolarHBondContact O-N 2.73Å; G669-M672 PolarHBondContact O-N 3.21Å; G669-M672 VanDerWaalsContact O-N 3.15Å
670	P	90.2	Very high	93.9	Very high	123 Å²	123	38.6 Å²	38.6	80%	0.799	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	121	173.7	-20.3	32.8	0	0	0	110.4	M672	P670-M672 WeakPolarHBondContact O-CG 3.28Å; P670-M672 PolarHBondContact O-N 3.07Å; P670-M672 VanDerWaalsContact O-N 3.17Å
671	S	89.2	Confident	93.8	Very high	62 Å²	62	40.5 Å²	40.5	43%	0.434	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	27.9	-175.5	-55.9	0	0	0	0	115.3	R552 G669 I682	R552-S671 VanDerWaalsContact NH2-CA 3.32Å; R552-S671 VanDerWaalsContact NH2-N 3.13Å; G669-S671 PolarHBondContact O-N 2.73Å; S671-I682 WeakPolarHBondContact O-CG1 3.37Å; S671-I682 PolarHBondContact O-N 3.02Å
672	M	92.6	Very high	93.4	Very high	50 Å²	50	41.1 Å²	41.1	25%	0.246	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	153.1	176.8	-57.5	178.3	82	0	0	111	R552 G669 P670 C679 L680 P681	R552-M672 PolarHBondContact NE-O 2.03Å; R552-M672 VanDerWaalsContact NE-O 3.08Å; G669-M672 PolarHBondContact O-N 3.21Å; G669-M672 VanDerWaalsContact O-N 3.15Å; P670-M672 WeakPolarHBondContact O-CG 3.28Å; P670-M672 PolarHBondContact O-N 3.07Å; P670-M672 VanDerWaalsContact O-N 3.17Å; M672-C679 HydrophobicContact CE-CB 4.4Å; M672-C679 VanDerWaalsContact CE-O 3.27Å; M672-C679 WeakPolarHBondContact CE-O 3.22Å; M672-C679 VanDerWaalsContact CE-SG 3.58Å; M672-L680 CarbonylContact C-O 3.51Å; M672-L680 WeakPolarHBondContact CA-O 3.33Å; M672-L680 WeakPolarHBondContact CB-O 3.02Å; M672-P681 HydrophobicContact CE-CG 4.18Å
673	M	94.2	Very high	92.7	Very high	2 Å²	2	48 Å²	48	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	159.3	175.7	70.4	-167.4	-150.7	0	0	112	Y554 T666 C668 L680 I682 L685 M687	Y554-M673 HydrophobicContact CD2-CE 3.77Å; Y554-M673 HydrophobicContact CE2-CE 3.73Å; T666-M673 CarbonylContact O-C 3.55Å; T666-M673 VanDerWaalsContact O-CA 3.3Å; T666-M673 WeakPolarHBondContact O-CA 3.46Å; C668-M673 VanDerWaalsContact SG-C 3.52Å; M673-L680 PolarHBondContact N-O 2.85Å; M673-L680 PolarHBondContact O-N 3.31Å; M673-I682 HydrophobicContact CG-CG1 4.26Å; M673-I682 HydrophobicContact SD-CG1 4.1Å; M673-L685 HydrophobicContact CE-CD1 3.21Å; M673-L685 HydrophobicContact CE-CG 4.3Å; M673-L685 HydrophobicContact CG-CD1 3.55Å; M673-L685 HydrophobicContact SD-CD1 3.74Å; M673-M687 HydrophobicContact CE-CE 4.5Å
674	C	95.4	Very high	92.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	135	176.9	-61.2	0	0	0	0	110.8	C611 V662 D664 G665 T666 K678	C611-C674 WeakPolarHBondContact CA-SG 3.11Å; C611-C674 HydrophobicContact CB-CB 3.66Å; C611-C674 WeakPolarHBondContact CB-SG 3.31Å; C611-C674 WeakPolarHBondContact SG-CA 3.48Å; C611-C674 WeakPolarHBondContact SG-CB 3.21Å; C611-C674 CovalentContact SG-SG 2.04Å; C611-C674 PolarHBondContact SG-SG 2.89Å; V662-C674 HydrophobicContact CG1-CB 4.48Å; D664-C674 CarbonylContact C-O 2.93Å; D664-C674 WeakPolarHBondContact CA-O 3.38Å; G665-C674 PolarHBondContact N-O 3.44Å; T666-C674 PolarHBondContact O-N 2.73Å; T666-C674 PolarHBondContact O-SG 3.32Å; C674-K678 CarbonylContact C-O 3.46Å; C674-K678 VanDerWaalsContact CA-O 3.3Å; C674-K678 WeakPolarHBondContact CA-O 3.31Å
675	L	93	Very high	91.2	Very high	50 Å²	50	50.1 Å²	50.1	26%	0.262	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	125.1	165.8	-171.4	74.9	0	0	0	108.3	D664 H677 K678 L680 L685	D664-L675 HydrophobicContact CB-CD1 4.17Å; D664-L675 VanDerWaalsContact OD1-CA 3.28Å; D664-L675 WeakPolarHBondContact OD1-CA 3.2Å; L675-H677 VanDerWaalsContact C-N 3.32Å; L675-H677 PolarHBondContact O-N 3.15Å; L675-K678 PolarHBondContact N-O 3.35Å; L675-K678 PolarHBondContact O-N 3.1Å; L675-L680 HydrophobicContact CB-CD1 4.08Å; L675-L680 HydrophobicContact CD2-CD1 4.3Å; L675-L685 HydrophobicContact CB-CD2 4.25Å; L675-L685 HydrophobicContact CD2-CD2 3.48Å; L675-L685 VanDerWaalsContact CD2-CD2 3.48Å; L675-L685 HydrophobicContact CG-CD2 4.38Å
676	D	91.6	Very high	90.3	Very high	111 Å²	111	57.6 Å²	57.6	59%	0.594	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	51.2	179.3	-171.9	35.2	0	0	0	111.9	D664 K678	D664-D676 PolarHBondContact OD1-N 3.14Å; D676-K678 PolarHBondContact O-N 2.89Å
677	H	95.1	Very high	89.5	Confident	51 Å²	51	60.2 Å²	60.2	24%	0.236	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	14.6	-177	-48.2	134.3	0	0	0	116.2	C594 C611 Y661 L675	C594-H677 HydrophobicContact CB-CB 4.46Å; C611-H677 WeakPolarHBondContact O-CA 2.96Å; Y661-H677 WeakPolarHBondContact CB-NE2 3.24Å; Y661-H677 AromaticContact CD1-CD2 3.9Å; Y661-H677 AromaticContact CD1-NE2 3.73Å; Y661-H677 AromaticContact CD2-NE2 3.97Å; Y661-H677 AromaticContact CG-CD2 3.96Å; Y661-H677 AromaticContact CG-NE2 3.43Å; L675-H677 VanDerWaalsContact C-N 3.32Å; L675-H677 PolarHBondContact O-N 3.15Å
678	K	95.4	Very high	88.9	Confident	112 Å²	112	63.2 Å²	63.2	49%	0.487	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	144.9	178.3	-67.9	174.6	-176.2	165.7	0	111.9	D608 C674 L675 D676 L680	D608-K678 WeakPolarHBondContact OD1-CA 3.34Å; C674-K678 CarbonylContact C-O 3.46Å; C674-K678 VanDerWaalsContact CA-O 3.3Å; C674-K678 WeakPolarHBondContact CA-O 3.31Å; L675-K678 PolarHBondContact N-O 3.35Å; L675-K678 PolarHBondContact O-N 3.1Å; D676-K678 PolarHBondContact O-N 2.89Å; K678-L680 HydrophobicContact CB-CD2 4.07Å; K678-L680 HydrophobicContact CB-CG 4.2Å; K678-L680 PolarHBondContact O-N 2.77Å
679	C	95.8	Very high	88.5	Confident	11 Å²	11	68.5 Å²	68.5	7%	0.074	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	103.3	174.8	-174.5	0	0	0	0	110.1	H607 D608 C668 M672	H607-C679 WeakPolarHBondContact O-CB 3.37Å; D608-C679 PolarHBondContact OD1-N 3.38Å; C668-C679 HydrophobicContact CB-CB 3.74Å; C668-C679 WeakPolarHBondContact CB-SG 3.46Å; C668-C679 WeakPolarHBondContact SG-CA 3.39Å; C668-C679 WeakPolarHBondContact SG-CB 3.5Å; C668-C679 CovalentContact SG-SG 2.03Å; C668-C679 PolarHBondContact SG-SG 3.05Å; M672-C679 HydrophobicContact CE-CB 4.4Å; M672-C679 VanDerWaalsContact CE-O 3.27Å; M672-C679 WeakPolarHBondContact CE-O 3.22Å; M672-C679 VanDerWaalsContact CE-SG 3.58Å
680	L	94.3	Very high	88.4	Confident	52 Å²	52	67.8 Å²	67.8	27%	0.272	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	141.9	-175	-58	-177	0	0	0	111.7	M672 M673 L675 K678 L685	M672-L680 CarbonylContact C-O 3.51Å; M672-L680 WeakPolarHBondContact CA-O 3.33Å; M672-L680 WeakPolarHBondContact CB-O 3.02Å; M673-L680 PolarHBondContact N-O 2.85Å; M673-L680 PolarHBondContact O-N 3.31Å; L675-L680 HydrophobicContact CB-CD1 4.08Å; L675-L680 HydrophobicContact CD2-CD1 4.3Å; K678-L680 HydrophobicContact CB-CD2 4.07Å; K678-L680 HydrophobicContact CB-CG 4.2Å; K678-L680 PolarHBondContact O-N 2.77Å; L680-L685 HydrophobicContact CD1-CD2 4.35Å
681	P	93.1	Very high	88.5	Confident	42 Å²	42	64 Å²	64	27%	0.273	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	137.7	165.1	-19.5	29.9	0	0	0	111.4	M672 Q683 L684	M672-P681 HydrophobicContact CE-CG 4.18Å; P681-Q683 PolarHBondContact O-N 2.8Å; P681-L684 HydrophobicContact CB-CD1 4.49Å; P681-L684 HydrophobicContact CB-CG 4.34Å; P681-L684 HydrophobicContact CG-CD1 4.03Å; P681-L684 HydrophobicContact CG-CG 4.42Å; P681-L684 PolarHBondContact O-N 2.76Å
682	I	87.8	Confident	88.6	Confident	30 Å²	30	65.9 Å²	65.9	15%	0.154	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-59.3	-33.6	-178.8	-65.9	167.2	0	0	0	111.8	R552 S671 M673 L684 L685 M687	R552-I682 VanDerWaalsContact CZ-CD1 3.41Å; R552-I682 VanDerWaalsContact NH1-CD1 3.29Å; S671-I682 WeakPolarHBondContact O-CG1 3.37Å; S671-I682 PolarHBondContact O-N 3.02Å; M673-I682 HydrophobicContact CG-CG1 4.26Å; M673-I682 HydrophobicContact SD-CG1 4.1Å; I682-L684 PolarHBondContact O-N 2.81Å; I682-L684 VanDerWaalsContact O-N 3.14Å; I682-L685 WeakPolarHBondContact O-CB 3.47Å; I682-L685 PolarHBondContact O-N 3.29Å; I682-L685 VanDerWaalsContact O-N 3.13Å; I682-M687 HydrophobicContact CG2-SD 3.93Å
683	Q	82	Confident	88.4	Confident	148 Å²	148	63.9 Å²	63.9	69%	0.692	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-63.8	-19.6	179.4	-58.7	87.2	-3.8	0	0	113.7	P681 L685	P681-Q683 PolarHBondContact O-N 2.8Å; Q683-L685 VanDerWaalsContact C-N 3.33Å
684	L	80.7	Confident	88.2	Confident	117 Å²	117	69.4 Å²	69.4	61%	0.613	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-86.6	-2.9	179	-66.2	-177.1	0	0	0	113.4	P681 I682 N686	P681-L684 HydrophobicContact CB-CD1 4.49Å; P681-L684 HydrophobicContact CB-CG 4.34Å; P681-L684 HydrophobicContact CG-CD1 4.03Å; P681-L684 HydrophobicContact CG-CG 4.42Å; P681-L684 PolarHBondContact O-N 2.76Å; I682-L684 PolarHBondContact O-N 2.81Å; I682-L684 VanDerWaalsContact O-N 3.14Å; L684-N686 PolarHBondContact O-N 3.02Å
685	L	75.7	Confident	87.7	Confident	32 Å²	32	73.2 Å²	73.2	17%	0.168	40%	0.401	C	S	.	.	S	Bend	trans	-86.7	19	-170.4	-67.1	159.6	0	0	0	113.8	M673 L675 L680 I682 Q683 M687	M673-L685 HydrophobicContact CE-CD1 3.21Å; M673-L685 HydrophobicContact CE-CG 4.3Å; M673-L685 HydrophobicContact CG-CD1 3.55Å; M673-L685 HydrophobicContact SD-CD1 3.74Å; L675-L685 HydrophobicContact CB-CD2 4.25Å; L675-L685 HydrophobicContact CD2-CD2 3.48Å; L675-L685 VanDerWaalsContact CD2-CD2 3.48Å; L675-L685 HydrophobicContact CG-CD2 4.38Å; L680-L685 HydrophobicContact CD1-CD2 4.35Å; I682-L685 WeakPolarHBondContact O-CB 3.47Å; I682-L685 PolarHBondContact O-N 3.29Å; I682-L685 VanDerWaalsContact O-N 3.13Å; Q683-L685 VanDerWaalsContact C-N 3.33Å; L685-M687 HydrophobicContact CB-CG 3.83Å; L685-M687 HydrophobicContact CB-SD 4.01Å; L685-M687 WeakPolarHBondContact O-CG 3.44Å; L685-M687 PolarHBondContact O-N 2.71Å
686	N	72.8	Confident	87.6	Confident	158 Å²	158	73.6 Å²	73.6	85%	0.845	42%	0.417	S	S	*	.			trans	44.5	37.4	178	-71.7	-17.3	0	0	0	114.1	L684	L684-N686 PolarHBondContact O-N 3.02Å
687	M	79.1	Confident	87.5	Confident	56 Å²	56	73.2 Å²	73.2	28%	0.276	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-79.3	134.6	-176.4	-49.8	175.6	99.1	0	0	109.3	D542 M673 I682 L685 T689	D542-M687 HydrophobicContact CB-CE 3.14Å; D542-M687 WeakPolarHBondContact O-CE 3.4Å; M673-M687 HydrophobicContact CE-CE 4.5Å; I682-M687 HydrophobicContact CG2-SD 3.93Å; L685-M687 HydrophobicContact CB-CG 3.83Å; L685-M687 HydrophobicContact CB-SD 4.01Å; L685-M687 WeakPolarHBondContact O-CG 3.44Å; L685-M687 PolarHBondContact O-N 2.71Å; M687-T689 PolarHBondContact O-N 3.01Å
688	S	83.1	Confident	87.4	Confident	83 Å²	83	74.1 Å²	74.1	58%	0.58	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-58	130.1	175.8	-61.6	0	0	0	0	110.2	Q541 A709	Q541-S688 PolarHBondContact NE2-O 2.84Å; S688-A709 VanDerWaalsContact CB-CB 3.43Å
689	T	84.9	Confident	87.3	Confident	125 Å²	125	68.8 Å²	68.8	77%	0.767	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-83.7	128.6	-176.8	51.3	0	0	0	0	110.8	M687	M687-T689 PolarHBondContact O-N 3.01Å
690	C	90.7	Very high	87.2	Confident	8 Å²	8	68.4 Å²	68.4	5%	0.054	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-64.7	157.6	169.4	-90.3	0	0	0	0	112.7	I692 V698 C705 T710	C690-I692 PolarHBondContact O-N 2.92Å; C690-V698 HydrophobicContact CB-CG1 3.69Å; C690-C705 HydrophobicContact CB-CB 3.7Å; C690-C705 WeakPolarHBondContact CB-SG 3.38Å; C690-C705 WeakPolarHBondContact SG-CA 3.37Å; C690-C705 WeakPolarHBondContact SG-CB 3.35Å; C690-C705 CovalentContact SG-SG 2Å; C690-C705 PolarHBondContact SG-SG 3.34Å; C690-T710 PolarHBondContact SG-O 3.49Å
691	P	93.1	Very high	87.1	Confident	43 Å²	43	68.7 Å²	68.7	28%	0.279	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-51.7	135.7	172.3	-28.2	36.8	0	0	0	112.6	C699 T720 D721	P691-C699 PolarHBondContact O-N 2.96Å; P691-T720 WeakPolarHBondContact CB-O 3.38Å; P691-T720 WeakPolarHBondContact CG-O 3.48Å; P691-D721 HydrophobicContact CB-CB 3.87Å
692	I	91.1	Very high	87.1	Confident	103 Å²	103	69.4 Å²	69.4	53%	0.528	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-109.2	125.6	176.6	-61.4	175.6	0	0	0	107.3	C690 G696 V698	C690-I692 PolarHBondContact O-N 2.92Å; I692-G696 VanDerWaalsContact CG2-C 3.42Å; I692-V698 HydrophobicContact CG1-CG2 4.39Å
693	G	88.5	Confident	87.3	Confident	7 Å²	7	68.7 Å²	68.7	7%	0.072	41%	0.405	C	S	.	.			trans	-76.5	177.9	-178.3	0	0	0	0	0	113.7	N695 G696 Q697 S700 D721	G693-N695 PolarHBondContact O-N 3.08Å; G693-G696 PolarHBondContact O-N 2.81Å; G693-Q697 PolarHBondContact N-O 2.93Å; G693-S700 WeakPolarHBondContact CA-OG 3.38Å; G693-D721 WeakPolarHBondContact CA-OD2 3.47Å
694	P	88.3	Confident	87.8	Confident	118 Å²	118	63.4 Å²	63.4	77%	0.766	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-22.5	178.3	-22.7	32.4	0	0	0	114.1	G696	P694-G696 VanDerWaalsContact C-N 3.27Å; P694-G696 PolarHBondContact O-N 2.85Å
695	N	86.6	Confident	88.4	Confident	80 Å²	80	57.9 Å²	57.9	43%	0.428	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	2.2	177.6	65.2	-0.4	0	0	0	113.8	G693 Q697 S700	G693-N695 PolarHBondContact O-N 3.08Å; N695-Q697 PolarHBondContact O-N 3.45Å; N695-Q697 WeakPolarHBondContact OD1-CB 3.37Å; N695-Q697 PolarHBondContact OD1-N 2.8Å; N695-S700 PolarHBondContact ND2-O 3.24Å; N695-S700 WeakPolarHBondContact OD1-CA 3.23Å
696	G	89.1	Confident	89.2	Confident	59 Å²	59	56.4 Å²	56.4	61%	0.608	35%	0.346	S	S	*	.	S	Bend	trans	73.2	11.3	-179	0	0	0	0	0	114.2	I692 G693 P694	I692-G696 VanDerWaalsContact CG2-C 3.42Å; G693-G696 PolarHBondContact O-N 2.81Å; P694-G696 VanDerWaalsContact C-N 3.27Å; P694-G696 PolarHBondContact O-N 2.85Å
697	Q	91.3	Very high	90	Very high	102 Å²	102	52 Å²	52	48%	0.477	32%	0.322	S	S	.	.	S	Bend	trans	-105.6	144.4	178.5	-62.6	-177.8	-27.7	0	0	110.9	G693 N695 C699 S700 A701	G693-Q697 PolarHBondContact N-O 2.93Å; N695-Q697 PolarHBondContact O-N 3.45Å; N695-Q697 WeakPolarHBondContact OD1-CB 3.37Å; N695-Q697 PolarHBondContact OD1-N 2.8Å; Q697-C699 PolarHBondContact O-N 2.97Å; Q697-S700 PolarHBondContact O-N 2.74Å; Q697-S700 VanDerWaalsContact O-N 3.1Å; Q697-A701 HydrophobicContact CB-CB 4.3Å
698	V	91.3	Very high	90.5	Very high	71 Å²	71	55.3 Å²	55.3	43%	0.43	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-59.3	129.7	173.8	177.9	0	0	0	0	108.7	C690 I692 S700 A701 C705	C690-V698 HydrophobicContact CB-CG1 3.69Å; I692-V698 HydrophobicContact CG1-CG2 4.39Å; V698-S700 PolarHBondContact O-N 2.87Å; V698-S700 VanDerWaalsContact O-N 3.11Å; V698-A701 PolarHBondContact O-N 3.37Å; V698-A701 VanDerWaalsContact O-N 3.09Å; V698-C705 HydrophobicContact CG1-CB 4.02Å
699	C	93.9	Very high	90.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	50.7	33.2	-176	-52.1	0	0	0	0	113.6	P691 Q697 A701 H702 C711 D721 C722	P691-C699 PolarHBondContact O-N 2.96Å; Q697-C699 PolarHBondContact O-N 2.97Å; C699-A701 PolarHBondContact O-N 2.87Å; C699-H702 PolarHBondContact O-N 3.47Å; C699-C711 WeakPolarHBondContact CA-SG 3.41Å; C699-C711 HydrophobicContact CB-CB 3.7Å; C699-C711 WeakPolarHBondContact CB-SG 3.37Å; C699-C711 VanDerWaalsContact SG-CA 3.54Å; C699-C711 WeakPolarHBondContact SG-CB 3.44Å; C699-C711 CovalentContact SG-SG 2.03Å; C699-C711 PolarHBondContact SG-SG 3.37Å; C699-D721 CarbonylContact C-O 3.47Å; C699-D721 WeakPolarHBondContact CA-O 3.19Å; C699-C722 WeakPolarHBondContact O-CB 3.42Å
700	S	94	Very high	91.2	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.021	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	52.8	16.1	-176.6	-53.3	0	0	0	0	115.2	G693 N695 Q697 V698 H702 D721 S723	G693-S700 WeakPolarHBondContact CA-OG 3.38Å; N695-S700 PolarHBondContact ND2-O 3.24Å; N695-S700 WeakPolarHBondContact OD1-CA 3.23Å; Q697-S700 PolarHBondContact O-N 2.74Å; Q697-S700 VanDerWaalsContact O-N 3.1Å; V698-S700 PolarHBondContact O-N 2.87Å; V698-S700 VanDerWaalsContact O-N 3.11Å; S700-H702 PolarHBondContact O-CD2 3.48Å; S700-H702 VanDerWaalsContact O-CD2 3.26Å; S700-H702 PolarHBondContact O-N 2.8Å; S700-D721 WeakPolarHBondContact CB-O 3.24Å; S700-D721 PolarHBondContact N-O 3.31Å; S700-D721 VanDerWaalsContact N-O 3.17Å; S700-D721 PolarHBondContact OG-O 2.8Å; S700-S723 WeakPolarHBondContact OG-CA 3.29Å; S700-S723 WeakPolarHBondContact OG-CB 3.39Å; S700-S723 PolarHBondContact OG-N 2.83Å
701	A	92.4	Very high	91.3	Very high	58 Å²	58	49.8 Å²	49.8	48%	0.479	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	54.5	25	-166.1	0	0	0	0	0	115.2	Q697 V698 C699	Q697-A701 HydrophobicContact CB-CB 4.3Å; V698-A701 PolarHBondContact O-N 3.37Å; V698-A701 VanDerWaalsContact O-N 3.09Å; C699-A701 PolarHBondContact O-N 2.87Å
702	H	93	Very high	91.3	Very high	56 Å²	56	49.9 Å²	49.9	26%	0.259	30%	0.302	S	S	.	.	S	Bend	trans	-121.7	26.3	177.1	-64.2	-43.7	0	0	0	111.6	C699 S700 D714 W717 C722	C699-H702 PolarHBondContact O-N 3.47Å; S700-H702 PolarHBondContact O-CD2 3.48Å; S700-H702 VanDerWaalsContact O-CD2 3.26Å; S700-H702 PolarHBondContact O-N 2.8Å; H702-D714 PolarHBondContact O-N 2.99Å; H702-W717 HydrophobicContact CB-CB 4.08Å; H702-W717 HydrophobicContact CB-CD2 3.58Å; H702-W717 HydrophobicContact CB-CE3 4.09Å; H702-W717 HydrophobicContact CB-CG 3.55Å; H702-W717 AromaticContact CD2-CD2 3.68Å; H702-W717 AromaticContact CD2-CE2 3.55Å; H702-W717 AromaticContact CD2-CE3 3.6Å; H702-W717 AromaticContact CD2-CH2 3.34Å; H702-W717 WeakPolarHBondContact CD2-CH2 3.47Å; H702-W717 AromaticContact CD2-CZ2 3.42Å; H702-W717 VanDerWaalsContact CD2-CZ2 3.42Å; H702-W717 WeakPolarHBondContact CD2-CZ2 3.11Å; H702-W717 AromaticContact CD2-CZ3 3.43Å; H702-W717 VanDerWaalsContact CD2-CZ3 3.43Å; H702-W717 WeakPolarHBondContact CD2-CZ3 3.11Å; H702-W717 AromaticContact CE1-CE2 3.77Å; H702-W717 AromaticContact CE1-CH2 3.88Å; H702-W717 AromaticContact CE1-CZ2 3.37Å; H702-W717 WeakPolarHBondContact CE1-CZ2 3.41Å; H702-W717 AromaticContact CG-CD2 3.51Å; H702-W717 AromaticContact CG-CE2 3.34Å; H702-W717 AromaticContact CG-CE3 3.91Å; H702-W717 AromaticContact CG-CG 3.99Å; H702-W717 AromaticContact CG-CZ2 3.65Å; H702-W717 AromaticContact CG-NE1 3.67Å; H702-W717 AromaticContact ND1-CE2 3.49Å; H702-W717 AromaticContact ND1-CZ2 3.61Å; H702-W717 AromaticContact ND1-NE1 3.56Å; H702-W717 AromaticContact NE2-CE2 3.84Å; H702-W717 AromaticContact NE2-CH2 3.25Å; H702-W717 WeakPolarHBondContact NE2-CH2 3.41Å; H702-W717 AromaticContact NE2-CZ2 3.25Å; H702-W717 VanDerWaalsContact NE2-CZ2 3.25Å; H702-W717 WeakPolarHBondContact NE2-CZ2 3.39Å; H702-W717 AromaticContact NE2-CZ3 3.84Å; H702-C722 HydrophobicContact CB-CB 4.08Å; H702-C722 WeakPolarHBondContact CB-O 3.48Å
703	G	91.8	Very high	91.3	Very high	16 Å²	16	46.7 Å²	46.7	17%	0.165	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	178.1	-178.9	0	0	0	0	0	111.6	T712	G703-T712 CarbonylContact C-O 3.55Å; G703-T712 WeakPolarHBondContact CA-O 3.21Å
704	V	93.3	Very high	91.2	Very high	36 Å²	36	50.2 Å²	50.2	22%	0.218	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134.1	-178.3	-177.7	0	0	0	0	109.2	I523 K540 Y544 N706 T712	I523-V704 HydrophobicContact CD1-CG1 4.24Å; K540-V704 HydrophobicContact CD-CG1 4.2Å; K540-V704 HydrophobicContact CG-CG1 3.83Å; Y544-V704 HydrophobicContact CE1-CG1 4Å; V704-N706 PolarHBondContact O-N 3.01Å; V704-T712 PolarHBondContact N-O 3.28Å; V704-T712 PolarHBondContact O-N 3.05Å
705	C	93.3	Very high	90.9	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.007	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	122.3	173.1	179.8	0	0	0	0	109.9	Q541 Y544 C690 V698	Q541-C705 PolarHBondContact N-O 2.92Å; Q541-C705 PolarHBondContact OE1-SG 3.25Å; Y544-C705 HydrophobicContact CE2-CB 4.16Å; Y544-C705 WeakPolarHBondContact OH-CB 3.37Å; Y544-C705 PolarHBondContact OH-N 2.99Å; Y544-C705 VanDerWaalsContact OH-N 3.11Å; C690-C705 HydrophobicContact CB-CB 3.7Å; C690-C705 WeakPolarHBondContact CB-SG 3.38Å; C690-C705 WeakPolarHBondContact SG-CA 3.37Å; C690-C705 WeakPolarHBondContact SG-CB 3.35Å; C690-C705 CovalentContact SG-SG 2Å; C690-C705 PolarHBondContact SG-SG 3.34Å; V698-C705 HydrophobicContact CG1-CB 4.02Å
706	N	92	Very high	90.8	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.011	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-94.6	176.6	-178.4	64	40.3	0	0	0	112.7	I523 L538 H539 V704 E708 A709 T710 T712	I523-N706 HydrophobicContact CD1-CB 3.7Å; L538-N706 HydrophobicContact CB-CB 4.22Å; L538-N706 HydrophobicContact CD1-CB 4.36Å; H539-N706 CarbonylContact O-C 3.46Å; H539-N706 VanDerWaalsContact O-CA 3.25Å; H539-N706 WeakPolarHBondContact O-CA 3.47Å; V704-N706 PolarHBondContact O-N 3.01Å; N706-E708 PolarHBondContact O-N 3.41Å; N706-E708 PolarHBondContact OD1-N 3.19Å; N706-E708 VanDerWaalsContact OD1-N 3.08Å; N706-A709 PolarHBondContact O-N 3.18Å; N706-A709 PolarHBondContact OD1-N 2.98Å; N706-T710 VanDerWaalsContact CG-OG1 3.32Å; N706-T710 PolarHBondContact N-O 2.93Å; N706-T710 PolarHBondContact ND2-O 3.17Å; N706-T710 VanDerWaalsContact ND2-O 3.17Å; N706-T710 PolarHBondContact ND2-OG1 3.05Å; N706-T710 PolarHBondContact OD1-N 2.91Å; N706-T710 PolarHBondContact OD1-O 3.1Å; N706-T710 PolarHBondContact OD1-OG1 2.83Å; N706-T712 PolarHBondContact ND2-OG1 3.02Å; N706-T712 VanDerWaalsContact ND2-OG1 3.11Å
707	N	89.5	Confident	90.9	Very high	64 Å²	64	46.7 Å²	46.7	34%	0.342	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.1	-177.8	62.7	-71.6	0	0	0	114.9	L538 H539 A709	L538-N707 WeakPolarHBondContact CD2-OD1 3.48Å; H539-N707 WeakPolarHBondContact CE1-CB 3.44Å; H539-N707 PolarHBondContact N-OD1 3.37Å; H539-N707 PolarHBondContact O-N 3.25Å; H539-N707 PolarHBondContact O-OD1 3.34Å; N707-A709 VanDerWaalsContact C-N 3.26Å
708	E	89.4	Confident	90.7	Very high	126 Å²	126	42.9 Å²	42.9	59%	0.589	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	6.6	174.1	-60.5	-172.4	158.8	0	0	112.7	L538 N706 T710	L538-E708 HydrophobicContact CD2-CG 3.96Å; N706-E708 PolarHBondContact O-N 3.41Å; N706-E708 PolarHBondContact OD1-N 3.19Å; N706-E708 VanDerWaalsContact OD1-N 3.08Å; E708-T710 PolarHBondContact O-N 3.1Å
709	A	90.4	Very high	90.5	Very high	18 Å²	18	40.7 Å²	40.7	15%	0.149	25%	0.251	C	S	.	.	S	Bend	trans	58.2	34.7	-173.3	0	0	0	0	0	113.5	S688 N706 N707	S688-A709 VanDerWaalsContact CB-CB 3.43Å; N706-A709 PolarHBondContact O-N 3.18Å; N706-A709 PolarHBondContact OD1-N 2.98Å; N707-A709 VanDerWaalsContact C-N 3.26Å
710	T	92.9	Very high	90.4	Very high	65 Å²	65	46.3 Å²	46.3	40%	0.399	29%	0.286	S	S	.	.			trans	-114.2	165.5	169.7	65.6	0	0	0	0	110.7	C690 N706 E708	C690-T710 PolarHBondContact SG-O 3.49Å; N706-T710 VanDerWaalsContact CG-OG1 3.32Å; N706-T710 PolarHBondContact N-O 2.93Å; N706-T710 PolarHBondContact ND2-O 3.17Å; N706-T710 VanDerWaalsContact ND2-O 3.17Å; N706-T710 PolarHBondContact ND2-OG1 3.05Å; N706-T710 PolarHBondContact OD1-N 2.91Å; N706-T710 PolarHBondContact OD1-O 3.1Å; N706-T710 PolarHBondContact OD1-OG1 2.83Å; E708-T710 PolarHBondContact O-N 3.1Å
711	C	93.1	Very high	90.3	Very high	18 Å²	18	47.5 Å²	47.5	12%	0.122	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.1	-179.4	-70.4	0	0	0	0	111.3	C699 T720 C722	C699-C711 WeakPolarHBondContact CA-SG 3.41Å; C699-C711 HydrophobicContact CB-CB 3.7Å; C699-C711 WeakPolarHBondContact CB-SG 3.37Å; C699-C711 VanDerWaalsContact SG-CA 3.54Å; C699-C711 WeakPolarHBondContact SG-CB 3.44Å; C699-C711 CovalentContact SG-SG 2.03Å; C699-C711 PolarHBondContact SG-SG 3.37Å; C711-T720 WeakPolarHBondContact CB-O 3.46Å; C711-C722 VanDerWaalsContact CB-SG 3.59Å
712	T	92.2	Very high	90.4	Very high	45 Å²	45	44.8 Å²	44.8	28%	0.276	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	104	166.9	-53.4	0	0	0	0	108.6	I523 G703 V704 N706	I523-T712 HydrophobicContact CG2-CG2 3.98Å; G703-T712 CarbonylContact C-O 3.55Å; G703-T712 WeakPolarHBondContact CA-O 3.21Å; V704-T712 PolarHBondContact N-O 3.28Å; V704-T712 PolarHBondContact O-N 3.05Å; N706-T712 PolarHBondContact ND2-OG1 3.02Å; N706-T712 VanDerWaalsContact ND2-OG1 3.11Å
713	C	90.2	Very high	90.4	Very high	35 Å²	35	44.1 Å²	44.1	24%	0.236	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	151.5	-174.4	-53.8	0	0	0	0	113.4	W717 G719 C722	C713-W717 HydrophobicContact CB-CB 4.22Å; C713-W717 WeakPolarHBondContact CB-O 3.36Å; C713-G719 PolarHBondContact SG-O 2.93Å; C713-G719 VanDerWaalsContact SG-O 3.38Å; C713-C722 WeakPolarHBondContact CA-SG 3.29Å; C713-C722 HydrophobicContact CB-CB 3.79Å; C713-C722 WeakPolarHBondContact CB-SG 3.33Å; C713-C722 WeakPolarHBondContact SG-CA 3.36Å; C713-C722 WeakPolarHBondContact SG-CB 3.43Å; C713-C722 CovalentContact SG-SG 2.04Å; C713-C722 PolarHBondContact SG-SG 2.84Å
714	D	87.8	Confident	90.4	Very high	82 Å²	82	48.4 Å²	48.4	44%	0.439	29%	0.288	S	S	.	.			trans	-63.3	155.2	168.3	-67.6	-33.7	0	0	0	110.5	H702 T716 W717	H702-D714 PolarHBondContact O-N 2.99Å; D714-T716 PolarHBondContact O-N 3.39Å; D714-W717 PolarHBondContact O-N 3.29Å
715	A	81.2	Confident	90.2	Very high	62 Å²	62	51.2 Å²	51.2	51%	0.512	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.8	-168.8	0	0	0	0	0	115.8
716	T	85.7	Confident	89.7	Confident	66 Å²	66	54.1 Å²	54.1	41%	0.405	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	11.7	179.7	62.4	0	0	0	0	113.4	D714 D726	D714-T716 PolarHBondContact O-N 3.39Å; T716-D726 CarbonylContact C-O 3.55Å; T716-D726 WeakPolarHBondContact CA-O 3.28Å; T716-D726 CarbonylContact O-C 3.57Å; T716-D726 PolarHBondContact O-N 3.37Å
717	W	89.4	Confident	89	Confident	55 Å²	55	58.2 Å²	58.2	21%	0.208	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	151.1	-174.8	-65.8	93.1	0	0	0	111.1	H702 C713 D714 C722 M724 P725	H702-W717 HydrophobicContact CB-CB 4.08Å; H702-W717 HydrophobicContact CB-CD2 3.58Å; H702-W717 HydrophobicContact CB-CE3 4.09Å; H702-W717 HydrophobicContact CB-CG 3.55Å; H702-W717 AromaticContact CD2-CD2 3.68Å; H702-W717 AromaticContact CD2-CE2 3.55Å; H702-W717 AromaticContact CD2-CE3 3.6Å; H702-W717 AromaticContact CD2-CH2 3.34Å; H702-W717 WeakPolarHBondContact CD2-CH2 3.47Å; H702-W717 AromaticContact CD2-CZ2 3.42Å; H702-W717 VanDerWaalsContact CD2-CZ2 3.42Å; H702-W717 WeakPolarHBondContact CD2-CZ2 3.11Å; H702-W717 AromaticContact CD2-CZ3 3.43Å; H702-W717 VanDerWaalsContact CD2-CZ3 3.43Å; H702-W717 WeakPolarHBondContact CD2-CZ3 3.11Å; H702-W717 AromaticContact CE1-CE2 3.77Å; H702-W717 AromaticContact CE1-CH2 3.88Å; H702-W717 AromaticContact CE1-CZ2 3.37Å; H702-W717 WeakPolarHBondContact CE1-CZ2 3.41Å; H702-W717 AromaticContact CG-CD2 3.51Å; H702-W717 AromaticContact CG-CE2 3.34Å; H702-W717 AromaticContact CG-CE3 3.91Å; H702-W717 AromaticContact CG-CG 3.99Å; H702-W717 AromaticContact CG-CZ2 3.65Å; H702-W717 AromaticContact CG-NE1 3.67Å; H702-W717 AromaticContact ND1-CE2 3.49Å; H702-W717 AromaticContact ND1-CZ2 3.61Å; H702-W717 AromaticContact ND1-NE1 3.56Å; H702-W717 AromaticContact NE2-CE2 3.84Å; H702-W717 AromaticContact NE2-CH2 3.25Å; H702-W717 WeakPolarHBondContact NE2-CH2 3.41Å; H702-W717 AromaticContact NE2-CZ2 3.25Å; H702-W717 VanDerWaalsContact NE2-CZ2 3.25Å; H702-W717 WeakPolarHBondContact NE2-CZ2 3.39Å; H702-W717 AromaticContact NE2-CZ3 3.84Å; C713-W717 HydrophobicContact CB-CB 4.22Å; C713-W717 WeakPolarHBondContact CB-O 3.36Å; D714-W717 PolarHBondContact O-N 3.29Å; W717-C722 HydrophobicContact CB-CB 4.46Å; W717-C722 VanDerWaalsContact CE3-O 3.28Å; W717-M724 CarbonylContact C-O 3.29Å; W717-M724 WeakPolarHBondContact CA-O 3.49Å; W717-P725 HydrophobicContact CE3-CG 4.27Å; W717-P725 HydrophobicContact CH2-CG 4.02Å; W717-P725 HydrophobicContact CZ3-CB 4.37Å; W717-P725 HydrophobicContact CZ3-CG 3.69Å
718	A	87.7	Confident	88	Confident	21 Å²	21	59.7 Å²	59.7	17%	0.174	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	175.8	-178.1	0	0	0	0	0	111.3	C722 S723 M724 D726	A718-C722 CarbonylContact O-C 3.39Å; A718-C722 WeakPolarHBondContact O-CA 3.19Å; A718-S723 PolarHBondContact O-N 2.79Å; A718-M724 PolarHBondContact N-O 3.05Å; A718-M724 WeakPolarHBondContact O-CB 3.23Å; A718-M724 PolarHBondContact O-N 3.29Å; A718-M724 VanDerWaalsContact O-N 3.09Å; A718-D726 HydrophobicContact CB-CB 3.67Å
719	G	87.9	Confident	86.9	Confident	26 Å²	26	63.3 Å²	63.3	27%	0.268	38%	0.376	S	S	.	.	S	Bend	trans	96.3	162.4	-174.9	0	0	0	0	0	112.6	C713 D721 C722	C713-G719 PolarHBondContact SG-O 2.93Å; C713-G719 VanDerWaalsContact SG-O 3.38Å; G719-D721 PolarHBondContact O-N 3.2Å; G719-C722 PolarHBondContact O-N 2.93Å
720	T	91.1	Very high	85.3	Confident	118 Å²	118	71.2 Å²	71.2	72%	0.724	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.4	-177.8	52.3	0	0	0	0	113	P691 C711	P691-T720 WeakPolarHBondContact CB-O 3.38Å; P691-T720 WeakPolarHBondContact CG-O 3.48Å; C711-T720 WeakPolarHBondContact CB-O 3.46Å
721	D	92.6	Very high	83.4	Confident	28 Å²	28	72.3 Å²	72.3	15%	0.15	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	10	179.3	67	-13.3	0	0	0	113.1	P691 G693 C699 S700 G719 S723	P691-D721 HydrophobicContact CB-CB 3.87Å; G693-D721 WeakPolarHBondContact CA-OD2 3.47Å; C699-D721 CarbonylContact C-O 3.47Å; C699-D721 WeakPolarHBondContact CA-O 3.19Å; S700-D721 WeakPolarHBondContact CB-O 3.24Å; S700-D721 PolarHBondContact N-O 3.31Å; S700-D721 VanDerWaalsContact N-O 3.17Å; S700-D721 PolarHBondContact OG-O 2.8Å; G719-D721 PolarHBondContact O-N 3.2Å; D721-S723 VanDerWaalsContact CG-OG 3.26Å; D721-S723 PolarHBondContact O-N 2.85Å; D721-S723 VanDerWaalsContact OD1-CB 3.26Å; D721-S723 WeakPolarHBondContact OD1-CB 3.33Å; D721-S723 PolarHBondContact OD1-N 2.88Å; D721-S723 VanDerWaalsContact OD1-N 3.11Å; D721-S723 PolarHBondContact OD1-OG 3.41Å; D721-S723 WeakPolarHBondContact OD2-CB 3.38Å; D721-S723 PolarHBondContact OD2-OG 3.07Å
722	C	93.5	Very high	80.9	Confident	0 Å²	0	79 Å²	79	0%	0	46%	0.46	C	S	.	.	S	Bend	trans	54.4	29.4	-176	-47.6	0	0	0	0	114.8	C699 H702 C711 C713 W717 A718 G719	C699-C722 WeakPolarHBondContact O-CB 3.42Å; H702-C722 HydrophobicContact CB-CB 4.08Å; H702-C722 WeakPolarHBondContact CB-O 3.48Å; C711-C722 VanDerWaalsContact CB-SG 3.59Å; C713-C722 WeakPolarHBondContact CA-SG 3.29Å; C713-C722 HydrophobicContact CB-CB 3.79Å; C713-C722 WeakPolarHBondContact CB-SG 3.33Å; C713-C722 WeakPolarHBondContact SG-CA 3.36Å; C713-C722 WeakPolarHBondContact SG-CB 3.43Å; C713-C722 CovalentContact SG-SG 2.04Å; C713-C722 PolarHBondContact SG-SG 2.84Å; W717-C722 HydrophobicContact CB-CB 4.46Å; W717-C722 VanDerWaalsContact CE3-O 3.28Å; A718-C722 CarbonylContact O-C 3.39Å; A718-C722 WeakPolarHBondContact O-CA 3.19Å; G719-C722 PolarHBondContact O-N 2.93Å
723	S	93.3	Very high	78.4	Confident	42 Å²	42	84 Å²	84	29%	0.294	48%	0.484	S	S	.	.			trans	-85.2	-12.4	-179.9	62.9	0	0	0	0	114.3	S700 A718 D721	S700-S723 WeakPolarHBondContact OG-CA 3.29Å; S700-S723 WeakPolarHBondContact OG-CB 3.39Å; S700-S723 PolarHBondContact OG-N 2.83Å; A718-S723 PolarHBondContact O-N 2.79Å; D721-S723 VanDerWaalsContact CG-OG 3.26Å; D721-S723 PolarHBondContact O-N 2.85Å; D721-S723 VanDerWaalsContact OD1-CB 3.26Å; D721-S723 WeakPolarHBondContact OD1-CB 3.33Å; D721-S723 PolarHBondContact OD1-N 2.88Å; D721-S723 VanDerWaalsContact OD1-N 3.11Å; D721-S723 PolarHBondContact OD1-OG 3.41Å; D721-S723 WeakPolarHBondContact OD2-CB 3.38Å; D721-S723 PolarHBondContact OD2-OG 3.07Å
724	M	91.6	Very high	76.1	Confident	106 Å²	106	86.3 Å²	86.3	52%	0.522	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	119.8	-175.1	-61.4	-171.8	-73.4	0	0	111	W717 A718 D726	W717-M724 CarbonylContact C-O 3.29Å; W717-M724 WeakPolarHBondContact CA-O 3.49Å; A718-M724 PolarHBondContact N-O 3.05Å; A718-M724 WeakPolarHBondContact O-CB 3.23Å; A718-M724 PolarHBondContact O-N 3.29Å; A718-M724 VanDerWaalsContact O-N 3.09Å; M724-D726 PolarHBondContact O-N 2.85Å
725	P	88.7	Confident	73.7	Confident	95 Å²	95	87.8 Å²	87.8	62%	0.617	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.2	129.3	170	-19.8	31.3	0	0	0	110.7	W717	W717-P725 HydrophobicContact CE3-CG 4.27Å; W717-P725 HydrophobicContact CH2-CG 4.02Å; W717-P725 HydrophobicContact CZ3-CB 4.37Å; W717-P725 HydrophobicContact CZ3-CG 3.69Å
726	D	82.8	Confident	71.6	Confident	62 Å²	62	91 Å²	91	33%	0.332	53%	0.53	S	S	.	.			trans	-136	72.1	178.5	-174.2	31.9	0	0	0	109.2	R510 T716 A718 M724	R510-D726 IonicContact CZ-OD2 2.86Å; R510-D726 IonicContact NE-OD2 3.82Å; R510-D726 IonicContact NH2-OD2 2.89Å; T716-D726 CarbonylContact C-O 3.55Å; T716-D726 WeakPolarHBondContact CA-O 3.28Å; T716-D726 CarbonylContact O-C 3.57Å; T716-D726 PolarHBondContact O-N 3.37Å; A718-D726 HydrophobicContact CB-CB 3.67Å; M724-D726 PolarHBondContact O-N 2.85Å
727	P	77.6	Confident	69.4	Low	88 Å²	88	96 Å²	96	57%	0.571	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-63.8	141	179.7	26.9	-32.8	0	0	0	109.9	K729	P727-K729 PolarHBondContact O-N 3.2Å
728	P	69.9	Low	66.8	Low	95 Å²	95	101.4 Å²	101.4	62%	0.617	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-55.5	128.3	176.7	21.2	-30.6	0	0	0	109	E730	P728-E730 PolarHBondContact O-N 2.93Å
729	K	65.5	Low	64.5	Low	203 Å²	203	106.9 Å²	106.9	88%	0.883	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-56	118.2	174.2	-72.1	-178.4	179.7	176.8	0	107.5	P727 A731	P727-K729 PolarHBondContact O-N 3.2Å; K729-A731 PolarHBondContact O-N 2.88Å
730	E	57.3	Low	62.1	Low	183 Å²	183	114.9 Å²	114.9	86%	0.855	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-53.1	126.5	167.1	-73.5	-179.2	165.2	0	0	106.4	P728 D732	P728-E730 PolarHBondContact O-N 2.93Å; E730-D732 PolarHBondContact O-N 2.79Å
731	A	51.4	Low	59.9	Low	89 Å²	89	111.7 Å²	111.7	74%	0.736	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-54.6	121.6	170.9	0	0	0	0	0	105.6	K729 I733	K729-A731 PolarHBondContact O-N 2.88Å; A731-I733 PolarHBondContact O-N 3.41Å
732	D	41.1	Very low	57.5	Low	159 Å²	159	115 Å²	115	85%	0.85	65%	0.649	S	S	*	*			trans	-48.3	111	171.5	-75.5	-44.4	0	0	0	105.4	E730 A734	E730-D732 PolarHBondContact O-N 2.79Å; D732-A734 PolarHBondContact O-N 3.42Å
733	I	40.6	Very low	55.5	Low	150 Å²	150	118.3 Å²	118.3	77%	0.769	67%	0.673	S	S	*	*			trans	-56.5	106.3	161.6	-63.7	173.7	0	0	0	100.7	A731 T735	A731-I733 PolarHBondContact O-N 3.41Å; I733-T735 PolarHBondContact O-N 3.47Å
734	A	42.4	Very low	53.5	Low	82 Å²	82	119.7 Å²	119.7	68%	0.678	69%	0.686	S	S	*	*			trans	-55.5	93.3	163.8	0	0	0	0	0	103.1	D732 T736	D732-A734 PolarHBondContact O-N 3.42Å; A734-T736 PolarHBondContact O-N 3.49Å
735	T	35.7	Very low	51.9	Low	113 Å²	113	118.4 Å²	118.4	69%	0.693	68%	0.684	S	S	*	*			trans	-51.6	111.3	154.1	41.5	0	0	0	0	100.8	I733 E737	I733-T735 PolarHBondContact O-N 3.47Å; T735-E737 PolarHBondContact O-N 2.8Å
736	T	38.3	Very low	50.2	Low	129 Å²	129	118.6 Å²	118.6	79%	0.791	68%	0.681	S	S	*	*			trans	-58.1	81.2	161.4	36.3	0	0	0	0	104.6	A734 E738	A734-T736 PolarHBondContact O-N 3.49Å; T736-E738 PolarHBondContact O-N 3.31Å
737	E	38.6	Very low	49	Very low	173 Å²	173	121.4 Å²	121.4	81%	0.808	70%	0.695	S	S	*	*			trans	-55	96.6	141.6	-82.7	-153.8	151.8	0	0	102.7	T735 T739	T735-E737 PolarHBondContact O-N 2.8Å; E737-T739 PolarHBondContact O-N 2.72Å
738	E	35.5	Very low	48.3	Very low	167 Å²	167	121.9 Å²	121.9	78%	0.78	69%	0.691	S	S	*	*			trans	-42.8	98.5	153.8	-77.6	-174.7	148.8	0	0	105.2	T736 K740	T736-E738 PolarHBondContact O-N 3.31Å; E738-K740 PolarHBondContact O-N 3.18Å
739	T	38.3	Very low	48.2	Very low	137 Å²	137	122.3 Å²	122.3	84%	0.84	69%	0.688	S	S	*	*			trans	-57.6	97.8	156.5	8.3	0	0	0	0	102.2	E737 G741	E737-T739 PolarHBondContact O-N 2.72Å; T739-G741 PolarHBondContact O-N 2.79Å
740	K	38.4	Very low	48.4	Very low	194 Å²	194	114.8 Å²	114.8	84%	0.843	67%	0.668	S	S	*	*			trans	-54.6	95	167.6	-86.7	179.3	176.4	171.8	0	104.7	E738	E738-K740 PolarHBondContact O-N 3.18Å
741	G	44.2	Very low	49.1	Very low	51 Å²	51	109.9 Å²	109.9	53%	0.526	65%	0.653	S	S	.	*			trans	-49.1	145.6	168.6	0	0	0	0	0	107.1	T739 S743	T739-G741 PolarHBondContact O-N 2.79Å; G741-S743 PolarHBondContact O-N 2.91Å
742	P	43	Very low	50.3	Low	96 Å²	96	110.2 Å²	110.2	62%	0.623	64%	0.642	S	S	*	*			trans	-50.8	114.2	-176	20.8	-31.3	0	0	0	108.1	A744 N746	P742-A744 PolarHBondContact O-N 3.28Å; P742-N746 HydrophobicContact CB-CB 4.49Å
743	S	51	Low	52	Low	71 Å²	71	105.4 Å²	105.4	50%	0.497	62%	0.624	S	S	.	*			trans	-41.3	135.4	-178.9	176.9	0	0	0	0	109.1	G741 T745 N746	G741-S743 PolarHBondContact O-N 2.91Å; S743-T745 WeakPolarHBondContact CB-OG1 3.34Å; S743-T745 CarbonylContact O-C 3.6Å; S743-T745 PolarHBondContact O-N 3.11Å; S743-T745 PolarHBondContact OG-OG1 3Å; S743-N746 PolarHBondContact O-N 3.46Å
744	A	52.1	Low	53.7	Low	70 Å²	70	100 Å²	100	58%	0.579	61%	0.605	S	S	*	*	H	α-helix	trans	-47.9	-22.4	-177.6	0	0	0	0	0	113.4	P742 N746 L747 I748	P742-A744 PolarHBondContact O-N 3.28Å; A744-N746 PolarHBondContact O-N 2.65Å; A744-L747 PolarHBondContact O-N 3.33Å; A744-I748 WeakPolarHBondContact O-CD1 3.41Å; A744-I748 WeakPolarHBondContact O-CG1 3.31Å; A744-I748 PolarHBondContact O-N 2.96Å; A744-I748 VanDerWaalsContact O-N 3.13Å
745	T	56.6	Low	55.4	Low	79 Å²	79	99 Å²	99	49%	0.485	60%	0.598	S	S	.	*	H	α-helix	trans	-55	-41.2	167.9	19.3	0	0	0	0	114.8	S743 I748 I749	S743-T745 WeakPolarHBondContact CB-OG1 3.34Å; S743-T745 CarbonylContact O-C 3.6Å; S743-T745 PolarHBondContact O-N 3.11Å; S743-T745 PolarHBondContact OG-OG1 3Å; T745-I748 PolarHBondContact O-N 2.63Å; T745-I749 WeakPolarHBondContact O-CD1 3.18Å; T745-I749 WeakPolarHBondContact O-CG1 3.4Å; T745-I749 PolarHBondContact O-N 3.36Å
746	N	53.7	Low	57.6	Low	100 Å²	100	99 Å²	99	54%	0.535	59%	0.592	S	S	.	*	H	α-helix	trans	-73	-32.5	-178.1	-71	-16.4	0	0	0	112.8	P742 S743 A744 G750	P742-N746 HydrophobicContact CB-CB 4.49Å; S743-N746 PolarHBondContact O-N 3.46Å; A744-N746 PolarHBondContact O-N 2.65Å; N746-G750 PolarHBondContact O-N 2.88Å; N746-G750 VanDerWaalsContact O-N 3.08Å
747	L	58.5	Low	59.7	Low	120 Å²	120	98.3 Å²	98.3	63%	0.628	58%	0.583	S	S	*	*	H	α-helix	trans	-70.6	-35.6	172.3	-94.9	154.7	0	0	0	112.2	A744 S751	A744-L747 PolarHBondContact O-N 3.33Å; L747-S751 WeakPolarHBondContact O-CB 3.44Å; L747-S751 PolarHBondContact O-N 2.87Å; L747-S751 VanDerWaalsContact O-N 3.11Å; L747-S751 PolarHBondContact O-OG 2.9Å
748	I	62.4	Low	61.6	Low	98 Å²	98	94.4 Å²	94.4	50%	0.503	57%	0.57	S	S	.	*	H	α-helix	trans	-69.6	-43.7	175	-65.9	164.6	0	0	0	110.5	A744 T745 G750 S751 I752	A744-I748 WeakPolarHBondContact O-CD1 3.41Å; A744-I748 WeakPolarHBondContact O-CG1 3.31Å; A744-I748 PolarHBondContact O-N 2.96Å; A744-I748 VanDerWaalsContact O-N 3.13Å; T745-I748 PolarHBondContact O-N 2.63Å; I748-G750 PolarHBondContact O-N 3.27Å; I748-S751 PolarHBondContact O-N 2.88Å; I748-I752 HydrophobicContact CG2-CD1 3.67Å; I748-I752 HydrophobicContact CG2-CG1 4.36Å; I748-I752 VanDerWaalsContact O-CG1 3.28Å; I748-I752 WeakPolarHBondContact O-CG1 3.26Å; I748-I752 PolarHBondContact O-N 2.8Å
749	I	67.4	Low	63.6	Low	105 Å²	105	88.7 Å²	88.7	54%	0.538	55%	0.552	S	S	.	*	H	α-helix	trans	-62.9	-42.9	177.9	-67.1	163.2	0	0	0	111	T745 S751 I752 A753	T745-I749 WeakPolarHBondContact O-CD1 3.18Å; T745-I749 WeakPolarHBondContact O-CG1 3.4Å; T745-I749 PolarHBondContact O-N 3.36Å; I749-S751 PolarHBondContact O-N 2.93Å; I749-I752 PolarHBondContact O-N 3.16Å; I749-A753 WeakPolarHBondContact O-CB 3.47Å; I749-A753 PolarHBondContact O-N 3.29Å
750	G	69.2	Low	65.4	Low	45 Å²	45	85 Å²	85	46%	0.464	54%	0.536	S	S	.	.	H	α-helix	trans	-62.4	-40	175.9	0	0	0	0	0	113.1	N746 I748 G754	N746-G750 PolarHBondContact O-N 2.88Å; N746-G750 VanDerWaalsContact O-N 3.08Å; I748-G750 PolarHBondContact O-N 3.27Å; G750-G754 PolarHBondContact O-N 2.85Å
751	S	72.8	Confident	67.2	Low	79 Å²	79	81.2 Å²	81.2	55%	0.552	52%	0.523	S	S	*	.	H	α-helix	trans	-70.2	-38.1	178.3	-61.4	0	0	0	0	112.5	L747 I748 I749 G754 A755	L747-S751 WeakPolarHBondContact O-CB 3.44Å; L747-S751 PolarHBondContact O-N 2.87Å; L747-S751 VanDerWaalsContact O-N 3.11Å; L747-S751 PolarHBondContact O-OG 2.9Å; I748-S751 PolarHBondContact O-N 2.88Å; I749-S751 PolarHBondContact O-N 2.93Å; S751-G754 PolarHBondContact O-N 2.85Å; S751-A755 WeakPolarHBondContact O-CB 3.34Å; S751-A755 PolarHBondContact O-N 3.48Å
752	I	75.7	Confident	68.6	Low	96 Å²	96	83 Å²	83	49%	0.492	52%	0.524	S	S	.	.	H	α-helix	trans	-67.8	-43.8	175.4	-66.6	168.6	0	0	0	110.5	I748 I749 G754 A755 I756	I748-I752 HydrophobicContact CG2-CD1 3.67Å; I748-I752 HydrophobicContact CG2-CG1 4.36Å; I748-I752 VanDerWaalsContact O-CG1 3.28Å; I748-I752 WeakPolarHBondContact O-CG1 3.26Å; I748-I752 PolarHBondContact O-N 2.8Å; I749-I752 PolarHBondContact O-N 3.16Å; I752-G754 VanDerWaalsContact C-N 3.33Å; I752-G754 PolarHBondContact O-N 2.97Å; I752-A755 PolarHBondContact O-N 2.8Å; I752-I756 HydrophobicContact CG2-CD1 3.77Å; I752-I756 HydrophobicContact CG2-CG1 4.42Å; I752-I756 VanDerWaalsContact O-CG1 3.27Å; I752-I756 WeakPolarHBondContact O-CG1 3.46Å; I752-I756 PolarHBondContact O-N 3.09Å
753	A	76.5	Confident	69.8	Low	59 Å²	59	84.5 Å²	84.5	49%	0.488	53%	0.526	S	S	.	.	H	α-helix	trans	-62	-41.2	176.3	0	0	0	0	0	111.8	I749 I756 L757	I749-A753 WeakPolarHBondContact O-CB 3.47Å; I749-A753 PolarHBondContact O-N 3.29Å; A753-I756 PolarHBondContact O-N 3.14Å; A753-L757 PolarHBondContact O-N 3.3Å
754	G	76.5	Confident	70.4	Confident	36 Å²	36	83.4 Å²	83.4	37%	0.371	53%	0.526	S	S	.	.	H	α-helix	trans	-62.9	-44	174.4	0	0	0	0	0	113	G750 S751 I752 L757 V758	G750-G754 PolarHBondContact O-N 2.85Å; S751-G754 PolarHBondContact O-N 2.85Å; I752-G754 VanDerWaalsContact C-N 3.33Å; I752-G754 PolarHBondContact O-N 2.97Å; G754-L757 PolarHBondContact O-N 3.19Å; G754-V758 WeakPolarHBondContact O-CG2 3.42Å; G754-V758 PolarHBondContact O-N 3.45Å
755	A	79.9	Confident	70.8	Confident	62 Å²	62	82.6 Å²	82.6	51%	0.512	52%	0.524	S	S	.	.	H	α-helix	trans	-65.1	-39.4	177.7	0	0	0	0	0	112.6	S751 I752 V758 A759	S751-A755 WeakPolarHBondContact O-CB 3.34Å; S751-A755 PolarHBondContact O-N 3.48Å; I752-A755 PolarHBondContact O-N 2.8Å; A755-V758 PolarHBondContact O-N 3Å; A755-A759 WeakPolarHBondContact O-CB 3.5Å; A755-A759 PolarHBondContact O-N 3.35Å
756	I	81.8	Confident	70.9	Confident	111 Å²	111	83.4 Å²	83.4	57%	0.569	53%	0.529	S	S	*	.	H	α-helix	trans	-64.9	-41.2	175.8	-67.9	167.7	0	0	0	110.8	I752 A753 A759 A760	I752-I756 HydrophobicContact CG2-CD1 3.77Å; I752-I756 HydrophobicContact CG2-CG1 4.42Å; I752-I756 VanDerWaalsContact O-CG1 3.27Å; I752-I756 WeakPolarHBondContact O-CG1 3.46Å; I752-I756 PolarHBondContact O-N 3.09Å; A753-I756 PolarHBondContact O-N 3.14Å; I756-A759 PolarHBondContact O-N 3.22Å; I756-A760 WeakPolarHBondContact O-CB 3.4Å; I756-A760 PolarHBondContact O-N 3.25Å
757	L	80.8	Confident	70.9	Confident	116 Å²	116	81.5 Å²	81.5	61%	0.607	53%	0.533	S	S	*	.	H	α-helix	trans	-63.8	-43.6	178.7	-158.9	96.4	0	0	0	111.6	A753 G754 A760 I761	A753-L757 PolarHBondContact O-N 3.3Å; G754-L757 PolarHBondContact O-N 3.19Å; L757-A760 PolarHBondContact O-N 3.34Å; L757-I761 HydrophobicContact CD2-CD1 4.33Å; L757-I761 HydrophobicContact CG-CD1 4.47Å; L757-I761 WeakPolarHBondContact O-CG1 3.37Å; L757-I761 PolarHBondContact O-N 3.46Å
758	V	80.3	Confident	70.5	Confident	90 Å²	90	86.6 Å²	86.6	55%	0.545	54%	0.544	S	S	.	.	H	α-helix	trans	-65.7	-42.4	177.3	174.1	0	0	0	0	110.9	G754 A755 A760 I761 V762	G754-V758 WeakPolarHBondContact O-CG2 3.42Å; G754-V758 PolarHBondContact O-N 3.45Å; A755-V758 PolarHBondContact O-N 3Å; V758-A760 VanDerWaalsContact C-N 3.33Å; V758-A760 PolarHBondContact O-N 3.3Å; V758-I761 PolarHBondContact O-N 3.47Å; V758-V762 HydrophobicContact CG1-CG2 4.36Å; V758-V762 VanDerWaalsContact O-CG2 3.23Å; V758-V762 WeakPolarHBondContact O-CG2 3.46Å; V758-V762 PolarHBondContact O-N 3.32Å
759	A	76.5	Confident	69.9	Low	47 Å²	47	84.9 Å²	84.9	39%	0.388	55%	0.551	S	S	.	*	H	α-helix	trans	-62.1	-39.8	175.3	0	0	0	0	0	112.2	A755 I756 V762 L763	A755-A759 WeakPolarHBondContact O-CB 3.5Å; A755-A759 PolarHBondContact O-N 3.35Å; I756-A759 PolarHBondContact O-N 3.22Å; A759-V762 PolarHBondContact O-N 3.25Å; A759-L763 WeakPolarHBondContact O-CB 3.41Å; A759-L763 VanDerWaalsContact O-CG 3.3Å; A759-L763 WeakPolarHBondContact O-CG 3.48Å; A759-L763 PolarHBondContact O-N 3.23Å
760	A	76.1	Confident	68.9	Low	61 Å²	61	89.5 Å²	89.5	50%	0.504	57%	0.567	S	S	.	*	H	α-helix	trans	-64.9	-37.5	176.3	0	0	0	0	0	112.6	I756 L757 V758 G764	I756-A760 WeakPolarHBondContact O-CB 3.4Å; I756-A760 PolarHBondContact O-N 3.25Å; L757-A760 PolarHBondContact O-N 3.34Å; V758-A760 VanDerWaalsContact C-N 3.33Å; V758-A760 PolarHBondContact O-N 3.3Å; A760-G764 WeakPolarHBondContact O-CA 3.43Å; A760-G764 PolarHBondContact O-N 3.45Å
761	I	76.7	Confident	67.9	Low	114 Å²	114	96.1 Å²	96.1	59%	0.585	58%	0.583	S	S	*	*	H	α-helix	trans	-69.4	-41.7	176.2	-67.5	166.2	0	0	0	111.1	L757 V758 G764 G765	L757-I761 HydrophobicContact CD2-CD1 4.33Å; L757-I761 HydrophobicContact CG-CD1 4.47Å; L757-I761 WeakPolarHBondContact O-CG1 3.37Å; L757-I761 PolarHBondContact O-N 3.46Å; V758-I761 PolarHBondContact O-N 3.47Å; I761-G764 PolarHBondContact O-N 3.2Å; I761-G765 PolarHBondContact O-N 3Å
762	V	73.6	Confident	66.6	Low	88 Å²	88	99.6 Å²	99.6	53%	0.533	60%	0.596	S	S	.	*	H	α-helix	trans	-68.1	-41.3	179.5	174.6	0	0	0	0	111.3	V758 A759 T766	V758-V762 HydrophobicContact CG1-CG2 4.36Å; V758-V762 VanDerWaalsContact O-CG2 3.23Å; V758-V762 WeakPolarHBondContact O-CG2 3.46Å; V758-V762 PolarHBondContact O-N 3.32Å; A759-V762 PolarHBondContact O-N 3.25Å; V762-T766 WeakPolarHBondContact O-CG2 3.48Å; V762-T766 PolarHBondContact O-N 3.05Å; V762-T766 PolarHBondContact O-OG1 3.12Å
763	L	68.3	Low	65.3	Low	128 Å²	128	101.5 Å²	101.5	67%	0.67	61%	0.612	S	S	*	*	H	α-helix	trans	-72.9	-35.8	176	-68.2	171.5	0	0	0	112.2	A759 T766 G767	A759-L763 WeakPolarHBondContact O-CB 3.41Å; A759-L763 VanDerWaalsContact O-CG 3.3Å; A759-L763 WeakPolarHBondContact O-CG 3.48Å; A759-L763 PolarHBondContact O-N 3.23Å; L763-T766 PolarHBondContact O-OG1 3.22Å; L763-G767 PolarHBondContact O-N 3.1Å
764	G	63.6	Low	63.6	Low	48 Å²	48	108.2 Å²	108.2	50%	0.495	63%	0.63	S	S	.	*	H	α-helix	trans	-68.2	-38.5	174.1	0	0	0	0	0	113.2	A760 I761	A760-G764 WeakPolarHBondContact O-CA 3.43Å; A760-G764 PolarHBondContact O-N 3.45Å; I761-G764 PolarHBondContact O-N 3.2Å
765	G	60.8	Low	61.8	Low	53 Å²	53	115.7 Å²	115.7	55%	0.546	65%	0.652	S	S	.	*	H	α-helix	trans	-71.3	-32.5	179.1	0	0	0	0	0	113.9	I761	I761-G765 PolarHBondContact O-N 3Å
766	T	57.7	Low	59.8	Low	95 Å²	95	123.1 Å²	123.1	58%	0.583	67%	0.667	S	S	*	*	H	α-helix	trans	-80.8	-19.4	177.9	49.7	0	0	0	0	113.3	V762 L763	V762-T766 WeakPolarHBondContact O-CG2 3.48Å; V762-T766 PolarHBondContact O-N 3.05Å; V762-T766 PolarHBondContact O-OG1 3.12Å; L763-T766 PolarHBondContact O-OG1 3.22Å
767	G	54.4	Low	57.8	Low	60 Å²	60	128 Å²	128	62%	0.619	68%	0.678	S	S	*	*	H	α-helix	trans	-78.7	-22.4	175.6	0	0	0	0	0	115.5	L763	L763-G767 PolarHBondContact O-N 3.1Å
768	W	50.1	Low	55.6	Low	228 Å²	228	132 Å²	132	86%	0.864	69%	0.687	S	S	*	*	H	α-helix	trans	-96.1	-18.1	-175.2	-143.4	23.5	0	0	0	114.1	F770	W768-F770 PolarHBondContact O-N 3.37Å
769	G	48.7	Very low	53.8	Low	62 Å²	62	135.1 Å²	135.1	64%	0.639	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-10.3	-177.1	0	0	0	0	0	116.4
770	F	47.6	Very low	52.6	Low	201 Å²	201	136.1 Å²	136.1	88%	0.882	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	-0.8	-173.9	-106.3	-82.9	0	0	0	115.7	W768	W768-F770 PolarHBondContact O-N 3.37Å
771	K	47.9	Very low	51	Low	184 Å²	184	140.7 Å²	140.7	80%	0.8	72%	0.719	S	S	*	*	S	Bend	trans	-108.3	-7.2	-171.3	-137.1	176.6	-177.2	179.6	0	117.2
772	N	44.9	Very low	49.3	Very low	152 Å²	152	140.4 Å²	140.4	81%	0.813	73%	0.733	S	S	*	*			trans	-126.7	34.5	-171.2	-81.9	-15.3	0	0	0	116.4
773	V	48.6	Very low	47.9	Very low	137 Å²	137	145.1 Å²	145.1	83%	0.83	75%	0.749	S	S	*	*			trans	-113.8	79.2	163.7	-175.9	0	0	0	0	109.8
774	K	40.5	Very low	46.7	Very low	200 Å²	200	143.6 Å²	143.6	87%	0.87	76%	0.755	S	S	*	*			trans	-166.5	128.8	151.7	-113.2	167.9	-173.8	175.4	0	113
775	K	39.1	Very low	45.7	Very low	192 Å²	192	152.8 Å²	152.8	84%	0.835	79%	0.79	S	S	*	*			trans	88.9	107.1	166	-64.4	176.9	171.8	177.8	0	115.3
776	R	36.9	Very low	44.9	Very low	218 Å²	218	157.8 Å²	157.8	82%	0.823	80%	0.803	S	S	*	*				56.3	126.6	76.9	-74.9	-172	178.7	-179.7	-0.3	110.4
777	R	39.7	Very low	44.2	Very low	215 Å²	215	161.1 Å²	161.1	81%	0.811	81%	0.814	S	S	*	*			cis	-175.8	147.9	42.5	-120.6	170.8	-164.6	175.3	2	109.7
778	Y	36.3	Very low	43.7	Very low	200 Å²	200	166.7 Å²	166.7	78%	0.784	83%	0.825	S	S	*	*			trans	42.2	125.3	131.4	-148.4	-98.3	0	0	0	122.2	P780	Y778-P780 HydrophobicContact CD1-CG 4.43Å; Y778-P780 HydrophobicContact CE1-CB 4.01Å; Y778-P780 HydrophobicContact CE1-CG 3.73Å
779	D	42.3	Very low	43.3	Very low	155 Å²	155	163.1 Å²	163.1	83%	0.829	82%	0.823	S	S	*	*			trans	-148.1	127	148.7	-157.3	3.2	0	0	0	109.7
780	P	50.1	Low	43	Very low	67 Å²	67	169.4 Å²	169.4	44%	0.435	83%	0.834	S	S	.	*			trans	-94.9	158.6	179.3	37.6	-30.6	0	0	0	111.9	Y778	Y778-P780 HydrophobicContact CD1-CG 4.43Å; Y778-P780 HydrophobicContact CE1-CB 4.01Å; Y778-P780 HydrophobicContact CE1-CG 3.73Å
781	N	42.3	Very low	42.6	Very low	158 Å²	158	167.3 Å²	167.3	85%	0.845	83%	0.831	S	S	*	*			trans	85.8	93.9	176.8	-61.9	-19.2	0	0	0	116.7
782	A	41.6	Very low	42.3	Very low	107 Å²	107	166.1 Å²	166.1	88%	0.884	83%	0.833	S	S	*	*			trans	-143.3	100.1	137.8	0	0	0	0	0	108.3
783	Q	45.6	Very low	42.1	Very low	188 Å²	188	167.2 Å²	167.2	88%	0.879	84%	0.835	S	S	*	*			trans	-87.1	148.9	167.4	-85.1	-176.1	-31.3	0	0	110.2
784	A	42.8	Very low	41.5	Very low	96 Å²	96	169.8 Å²	169.8	79%	0.793	84%	0.835	S	S	*	*			trans	60.4	128.7	154.3	0	0	0	0	0	116.3
785	I	41.2	Very low	41.6	Very low	241 Å²	241	167 Å²	167	100%	1.236	83%	0.832	S	S	*	*			cis	-141	0	42.3	-72.2	165.9	0	0	0	109.7

Retrieved 785 of 785 residues in 355.2 ms (Link to these results)

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