A0A060XS39_ONCMY Loading...

Set1/Ash2 histone methyltransferase complex subunit ASH2

Transcriptional regulator. Component or associated component of some histone methyltransferase complexes which regulates transcription through recruitment of those complexes to gene promoters. Component of the Set1/Ash2 histone methyltransferase (HMT) complex, a complex that specifically methylates 'Lys-4' of histone H3, but not if the neighboring 'Lys-9' residue is already methylated. As part of the MLL1/MLL complex it is involved in methylation and dimethylation at 'Lys-4' of histone H3. May play a role in hematopoiesis. In association with RBBP5 and WDR5, stimulates the histone methyltransferase activities of KMT2A, KMT2B, KMT2C, KMT2D, SETD1A and SETD1B.

AlphaFold DB , UniProt , Accession A0A060XS39, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110523394, Length 594 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.5	Very low	30.8	Very low	239 Å²	239	126.5 Å²	126.5	100%	1.177	79%	0.793	S	S	*	*				0	90.3	0	-68.7	-173.9	179.3	0	0	105.7
2	A	31.3	Very low	30.6	Very low	97 Å²	97	127.2 Å²	127.2	80%	0.802	79%	0.794	S	S	*	*				69.2	106.3	67.4	0	0	0	0	0	111.7
3	S	33.6	Very low	30.3	Very low	98 Å²	98	127.9 Å²	127.9	69%	0.685	80%	0.797	S	S	*	*				178.1	108.8	127.9	32	0	0	0	0	106.3
4	E	34.5	Very low	30.4	Very low	197 Å²	197	130.8 Å²	130.8	92%	0.921	80%	0.796	S	S	*	*				91	134.5	92.1	-78.4	165	-172.7	0	0	109.2
5	G	30.9	Very low	31	Very low	61 Å²	61	130.4 Å²	130.4	63%	0.629	80%	0.797	S	S	*	*			cis	156.4	135.6	8.8	0	0	0	0	0	106.6
6	E	31.7	Very low	31	Very low	199 Å²	199	133.2 Å²	133.2	93%	0.93	80%	0.799	S	S	*	*			trans	45	150.8	137.9	-67.4	-178.4	142.4	0	0	121.1
7	A	29.5	Very low	31	Very low	80 Å²	80	134.1 Å²	134.1	66%	0.661	81%	0.805	S	S	*	*			cis	170.8	168	-11.2	0	0	0	0	0	105
8	A	29.6	Very low	30.7	Very low	87 Å²	87	130.6 Å²	130.6	72%	0.719	80%	0.801	S	S	*	*			trans	75	151.4	149.3	0	0	0	0	0	117.6
9	N	28.1	Very low	30.7	Very low	149 Å²	149	133.2 Å²	133.2	80%	0.797	81%	0.809	S	S	*	*			cis	-165.4	150.2	-9	-117.4	-11.6	0	0	0	105.8
10	A	27.5	Very low	30.5	Very low	83 Å²	83	130.1 Å²	130.1	69%	0.686	81%	0.806	S	S	*	*				47.1	138.7	105.1	0	0	0	0	0	114.8
11	S	27.3	Very low	30.4	Very low	102 Å²	102	131.9 Å²	131.9	71%	0.713	81%	0.81	S	S	*	*			cis	173.3	144.2	12.5	38.4	0	0	0	0	107.4
12	V	29.1	Very low	30.2	Very low	134 Å²	134	125 Å²	125	81%	0.812	79%	0.791	S	S	*	*			trans	57.7	134.1	137.3	-168.5	0	0	0	0	120.5
13	V	26.6	Very low	30	Very low	137 Å²	137	123.4 Å²	123.4	83%	0.83	78%	0.784	S	S	*	*				162.6	130.7	121.3	166.4	0	0	0	0	110.9
14	E	31.6	Very low	29.7	Very low	168 Å²	168	129.3 Å²	129.3	79%	0.785	80%	0.798	S	S	*	*			trans	-70.1	179.5	172.8	-49.8	-175	125.6	0	0	113.3
15	P	39.1	Very low	29.4	Very low	125 Å²	125	122.9 Å²	122.9	81%	0.812	79%	0.785	S	S	*	*				-152.5	172.1	77.9	35.9	-13	0	0	0	117
16	E	31.7	Very low	29.3	Very low	175 Å²	175	126.9 Å²	126.9	82%	0.818	79%	0.791	S	S	*	*			trans	-55.3	158.5	172.8	-58.1	-174.8	123.6	0	0	115.8
17	T	30.3	Very low	29.1	Very low	149 Å²	149	123.4 Å²	123.4	91%	0.914	78%	0.779	S	S	*	*			trans	-168.2	129.5	137.2	19.6	0	0	0	0	109.9
18	G	26.8	Very low	28.9	Very low	70 Å²	70	125.6 Å²	125.6	72%	0.722	78%	0.784	S	S	*	*			trans	-93.1	169.3	173.8	0	0	0	0	0	113.4
19	D	29.2	Very low	28.8	Very low	181 Å²	181	124.6 Å²	124.6	97%	0.968	78%	0.782	S	S	*	*				173.4	149.9	126.2	-109.2	-22.1	0	0	0	111.3
20	G	27.8	Very low	28.7	Very low	71 Å²	71	125 Å²	125	73%	0.732	78%	0.784	S	S	*	*			trans	132	61.2	149.2	0	0	0	0	0	120.2
21	D	28.6	Very low	28.6	Very low	168 Å²	168	127.3 Å²	127.3	90%	0.898	78%	0.784	S	S	*	*				57.1	151.6	121.8	-148.7	19	0	0	0	124.6
22	A	29.1	Very low	28.5	Very low	93 Å²	93	130 Å²	130	77%	0.769	79%	0.785	S	S	*	*			trans	85	119.5	168.5	0	0	0	0	0	117.7
23	G	28.1	Very low	28.3	Very low	64 Å²	64	129.3 Å²	129.3	66%	0.66	78%	0.782	S	S	*	*			cis	166.2	152.3	2.1	0	0	0	0	0	110.6
24	F	27.6	Very low	28	Very low	222 Å²	222	131.4 Å²	131.4	97%	0.974	78%	0.783	S	S	*	*			trans	62.9	124.1	163	-74.2	-93.2	0	0	0	118.3
25	G	28.4	Very low	27.6	Very low	63 Å²	63	128.5 Å²	128.5	65%	0.649	78%	0.78	S	S	*	*			cis	148.6	109.5	9.9	0	0	0	0	0	106
26	D	27.2	Very low	27	Very low	144 Å²	144	127.6 Å²	127.6	77%	0.77	78%	0.777	S	S	*	*				72.1	133.6	82.8	-137.7	17.5	0	0	0	110.7
27	L	28.5	Very low	26.6	Very low	127 Å²	127	127.6 Å²	127.6	67%	0.665	78%	0.783	S	S	*	*			cis	-172.9	136.1	47.2	-92.9	166.6	0	0	0	108.1
28	T	25.9	Very low	26.4	Very low	126 Å²	126	124.1 Å²	124.1	77%	0.773	78%	0.776	S	S	*	*				48.2	143.6	103.6	75.3	0	0	0	0	116.8
29	G	26.3	Very low	26.3	Very low	65 Å²	65	130.3 Å²	130.3	67%	0.67	78%	0.784	S	S	*	*			cis	164.8	-179.4	11.1	0	0	0	0	0	110.5
30	N	25.7	Very low	26.1	Very low	159 Å²	159	131.1 Å²	131.1	85%	0.85	78%	0.782	S	S	*	*			trans	50.4	152.1	147.7	-75	-1.3	0	0	0	120.4
31	L	25.6	Very low	26	Very low	131 Å²	131	132.2 Å²	132.2	69%	0.686	78%	0.783	S	S	*	*			cis	-178	164.3	-13.3	-161.5	77.6	0	0	0	103.7
32	E	24.7	Very low	25.9	Very low	158 Å²	158	133.5 Å²	133.5	74%	0.738	79%	0.786	S	S	*	*			trans	87.8	108	150.5	-85.5	170.7	-162.6	0	0	123
33	T	24.6	Very low	25.9	Very low	119 Å²	119	136.4 Å²	136.4	73%	0.73	79%	0.789	S	S	*	*				65.8	131.4	120.7	46.5	0	0	0	0	125.6
34	E	21.6	Very low	26.3	Very low	182 Å²	182	138.2 Å²	138.2	85%	0.85	79%	0.789	S	S	*	*			trans	91.4	112.6	138.6	-77.7	-168.4	146.5	0	0	123.1
35	S	22.8	Very low	26.1	Very low	106 Å²	106	131.7 Å²	131.7	74%	0.741	78%	0.784	S	S	*	*				57.9	116.1	122.9	-168.8	0	0	0	0	121.2
36	S	25.5	Very low	26.2	Very low	106 Å²	106	134.1 Å²	134.1	74%	0.741	79%	0.791	S	S	*	*				157.4	132.4	100.7	52.8	0	0	0	0	114.9
37	N	24.1	Very low	26.3	Very low	175 Å²	175	137.1 Å²	137.1	94%	0.936	80%	0.801	S	S	*	*			trans	44.4	128.1	149.2	-82	-0.4	0	0	0	124
38	G	25.8	Very low	26.3	Very low	76 Å²	76	134.2 Å²	134.2	78%	0.784	80%	0.802	S	S	*	*			trans	157.8	78.5	142.3	0	0	0	0	0	118.2
39	K	24.6	Very low	26.7	Very low	200 Å²	200	136.9 Å²	136.9	87%	0.87	81%	0.81	S	S	*	*			trans	9.2	130.6	151.7	-70	175.3	166.4	179.4	0	120
40	E	25.3	Very low	26.8	Very low	199 Å²	199	143.2 Å²	143.2	93%	0.93	82%	0.822	S	S	*	*				-176.9	162.9	97.1	-94.3	-172.4	166.7	0	0	111.1
41	A	25.7	Very low	26.9	Very low	93 Å²	93	140 Å²	140	77%	0.769	82%	0.818	S	S	*	*			trans	-94.5	153.1	-148.5	0	0	0	0	0	116.1
42	M	26.3	Very low	27.2	Very low	195 Å²	195	138.8 Å²	138.8	96%	0.961	83%	0.826	S	S	*	*				175	130.5	119.4	-94.3	176.3	173.3	0	0	110.9
43	D	28.9	Very low	27.3	Very low	154 Å²	154	139 Å²	139	82%	0.824	83%	0.833	S	S	*	*			trans	-92.9	178.3	-177.6	-155.2	31	0	0	0	110.4
44	P	36.2	Very low	27.7	Very low	103 Å²	103	139.5 Å²	139.5	67%	0.669	84%	0.836	S	S	*	*				-128.4	168	-84.1	38.3	-22.5	0	0	0	113.2
45	G	24.4	Very low	28.3	Very low	84 Å²	84	139.5 Å²	139.5	87%	0.866	84%	0.836	S	S	*	*			trans	-133.9	102.3	157.8	0	0	0	0	0	108.4
46	S	29.9	Very low	28.9	Very low	114 Å²	114	140.2 Å²	140.2	80%	0.797	84%	0.836	S	S	*	*			trans	-94.1	120.3	-179.4	66.1	0	0	0	0	111
47	E	30.4	Very low	29.3	Very low	207 Å²	207	137.5 Å²	137.5	97%	0.967	82%	0.824	S	S	*	*			trans	-95.3	118.1	152	-73.3	-168.5	155.4	0	0	107.7
48	G	28.5	Very low	30.2	Very low	66 Å²	66	134.7 Å²	134.7	68%	0.68	82%	0.818	S	S	*	*			trans	-135.8	131.7	178	0	0	0	0	0	109.8
49	L	34.1	Very low	30.7	Very low	182 Å²	182	134 Å²	134	95%	0.953	81%	0.811	S	S	*	*			trans	-53.8	129.4	176.6	-70.1	125.7	0	0	0	112	A51	L49-A51 PolarHBondContact O-N 2.87Å
50	E	27.5	Very low	31.5	Very low	199 Å²	199	131.7 Å²	131.7	93%	0.93	81%	0.809	S	S	*	*			trans	-73.4	115	177.4	-69.9	-172.5	139.8	0	0	111.5
51	A	29.1	Very low	32.2	Very low	92 Å²	92	130.2 Å²	130.2	76%	0.76	80%	0.802	S	S	*	*			trans	-87	131.9	157.5	0	0	0	0	0	108.3	L49 D53	L49-A51 PolarHBondContact O-N 2.87Å; A51-D53 PolarHBondContact O-N 2.78Å; A51-D53 VanDerWaalsContact O-N 3.17Å
52	A	30.2	Very low	33.3	Very low	104 Å²	104	135.7 Å²	135.7	86%	0.86	81%	0.811	S	S	*	*			trans	-71.1	106.6	177.3	0	0	0	0	0	110.5	T54	A52-T54 PolarHBondContact O-N 2.73Å
53	D	28.5	Very low	34.4	Very low	163 Å²	163	130.7 Å²	130.7	87%	0.872	80%	0.796	S	S	*	*			trans	-68.5	123.5	171.4	-103.8	-26	0	0	0	110.5	A51 Q55	A51-D53 PolarHBondContact O-N 2.78Å; A51-D53 VanDerWaalsContact O-N 3.17Å; D53-Q55 PolarHBondContact O-N 3.14Å
54	T	31.4	Very low	35.9	Very low	129 Å²	129	126 Å²	126	79%	0.791	78%	0.783	S	S	*	*			trans	-82.1	103.5	170.3	-51.2	0	0	0	0	107.7	A52 T56	A52-T54 PolarHBondContact O-N 2.73Å; T54-T56 PolarHBondContact O-N 3.15Å
55	Q	34.2	Very low	37.9	Very low	182 Å²	182	123.4 Å²	123.4	85%	0.85	76%	0.76	S	S	*	*			trans	-64.7	99.8	-179.5	-137.1	170.3	11.6	0	0	110.4	D53 G57	D53-Q55 PolarHBondContact O-N 3.14Å; Q55-G57 PolarHBondContact O-N 2.82Å
56	T	36	Very low	40.4	Very low	122 Å²	122	124 Å²	124	75%	0.748	74%	0.741	S	S	*	*			trans	-76.4	96	168.6	45	0	0	0	0	109.3	T54 S58	T54-T56 PolarHBondContact O-N 3.15Å; T56-S58 PolarHBondContact O-N 2.62Å
57	G	35.1	Very low	42.7	Very low	48 Å²	48	121.1 Å²	121.1	50%	0.495	71%	0.714	S	S	.	*			trans	-72.9	86.2	169.7	0	0	0	0	0	111.7	Q55 G59	Q55-G57 PolarHBondContact O-N 2.82Å; G57-G59 PolarHBondContact O-N 2.84Å
58	S	42.8	Very low	45	Very low	116 Å²	116	112.5 Å²	112.5	81%	0.811	68%	0.681	S	S	*	*			trans	-83.7	86.7	161.3	62	0	0	0	0	109.1	T56 D60	T56-S58 PolarHBondContact O-N 2.62Å; S58-D60 PolarHBondContact O-N 3.08Å
59	G	35.7	Very low	47.8	Very low	61 Å²	61	114.2 Å²	114.2	63%	0.629	67%	0.672	S	S	*	*			trans	-86.6	82.3	173.1	0	0	0	0	0	111.5	G57	G57-G59 PolarHBondContact O-N 2.84Å
60	D	41.1	Very low	50.6	Low	153 Å²	153	106.5 Å²	106.5	82%	0.818	63%	0.632	S	S	*	*			trans	-97.7	70.4	155.3	-98.5	-11.3	0	0	0	107.7	S58	S58-D60 PolarHBondContact O-N 3.08Å
61	E	40.6	Very low	53.7	Low	168 Å²	168	97.6 Å²	97.6	79%	0.785	59%	0.59	S	S	*	*	S	Bend	trans	-139.1	135.5	159	-72.1	-158.8	148.5	0	0	107.7	S63	E61-S63 PolarHBondContact O-N 3.29Å; E61-S63 PolarHBondContact O-OG 3.44Å
62	E	47.7	Very low	56.7	Low	207 Å²	207	93.2 Å²	93.2	97%	0.967	55%	0.554	S	S	*	*			trans	-58.6	78.4	-177.8	-169.9	174	-172.4	0	0	111.1	G64	E62-G64 PolarHBondContact O-N 3.42Å
63	S	50	Low	59.7	Low	91 Å²	91	89.8 Å²	89.8	64%	0.636	52%	0.52	S	S	*	.			trans	-89.2	104.1	-173.5	-60.1	0	0	0	0	109.4	E61	E61-S63 PolarHBondContact O-N 3.29Å; E61-S63 PolarHBondContact O-OG 3.44Å
64	G	60.5	Low	62.7	Low	55 Å²	55	82 Å²	82	57%	0.567	48%	0.479	S	S	*	.			trans	-59.1	159.2	164.5	0	0	0	0	0	111.2	E62 H66	E62-G64 PolarHBondContact O-N 3.42Å; G64-H66 PolarHBondContact O-N 3.26Å
65	R	77.9	Confident	65.5	Low	48 Å²	48	77 Å²	77	18%	0.181	45%	0.45	C	S	.	.			trans	-54.8	123.9	174.8	-69.8	-78.4	-55.3	-103.5	5.2	110.5	Q67 E71 W80 G219 I221	R65-Q67 VanDerWaalsContact C-N 3.25Å; R65-Q67 HydrophobicContact CB-CG 4.06Å; R65-Q67 PolarHBondContact O-N 2.86Å; R65-Q67 VanDerWaalsContact O-N 3.07Å; R65-E71 VanDerWaalsContact CA-OE1 3.32Å; R65-E71 WeakPolarHBondContact CA-OE1 3.41Å; R65-E71 IonicContact CZ-OE2 3.72Å; R65-E71 IonicContact NE-OE1 2.79Å; R65-E71 IonicContact NE-OE2 3.9Å; R65-E71 PolarHBondContact NE-OE2 2.74Å; R65-E71 IonicContact NH2-OE2 3.62Å; R65-E71 PolarHBondContact NH2-OE2 2.9Å; R65-E71 VanDerWaalsContact NH2-OE2 3.12Å; R65-W80 VanDerWaalsContact CD-CD2 3.41Å; R65-W80 VanDerWaalsContact CD-CG 3.4Å; R65-W80 VanDerWaalsContact NH1-CE2 3.32Å; R65-G219 PolarHBondContact NH1-O 3.47Å; R65-I221 PolarHBondContact NH1-O 3.28Å
66	H	77.6	Confident	68	Low	98 Å²	98	73.3 Å²	73.3	45%	0.454	44%	0.436	S	S	.	.			trans	-82.3	72.6	168.3	-59.7	141.8	0	0	0	109.5	G64 G68 E69 E71 T82	G64-H66 PolarHBondContact O-N 3.26Å; H66-G68 PolarHBondContact O-N 3Å; H66-E69 PolarHBondContact O-N 3.2Å; H66-E71 VanDerWaalsContact C-CD 3.49Å; H66-E71 PolarHBondContact N-OE1 3.22Å; H66-E71 WeakPolarHBondContact O-CG 3.36Å; H66-T82 HydrophobicContact CB-CG2 4.34Å; H66-T82 WeakPolarHBondContact ND1-CG2 3.35Å
67	Q	77.9	Confident	70.6	Confident	52 Å²	52	69.8 Å²	69.8	24%	0.243	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	137.7	-178.3	-63.6	-177.3	3.1	0	0	110.5	R65 F96 W135 G219	R65-Q67 VanDerWaalsContact C-N 3.25Å; R65-Q67 HydrophobicContact CB-CG 4.06Å; R65-Q67 PolarHBondContact O-N 2.86Å; R65-Q67 VanDerWaalsContact O-N 3.07Å; Q67-F96 HydrophobicContact CB-CE1 4.34Å; Q67-F96 HydrophobicContact CB-CZ 4.22Å; Q67-F96 HydrophobicContact CG-CE1 4.44Å; Q67-W135 VanDerWaalsContact C-CZ2 3.45Å; Q67-W135 HydrophobicContact CB-CD2 4.38Å; Q67-W135 HydrophobicContact CB-CE3 3.8Å; Q67-W135 HydrophobicContact CB-CH2 3.47Å; Q67-W135 VanDerWaalsContact CB-CH2 3.47Å; Q67-W135 HydrophobicContact CB-CZ2 4.09Å; Q67-W135 HydrophobicContact CB-CZ3 3.32Å; Q67-W135 HydrophobicContact CG-CZ3 4.29Å; Q67-W135 WeakPolarHBondContact O-CH2 2.99Å; Q67-W135 WeakPolarHBondContact O-CZ2 3.27Å; Q67-G219 VanDerWaalsContact NE2-N 3.2Å
68	G	78.6	Confident	73.3	Confident	27 Å²	27	70.7 Å²	70.7	28%	0.278	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.6	-15	-178.2	0	0	0	0	0	115.4	H66 P95	H66-G68 PolarHBondContact O-N 3Å; G68-P95 WeakPolarHBondContact O-CG 3.39Å
69	E	88.3	Confident	75.5	Confident	101 Å²	101	70.6 Å²	70.6	47%	0.472	39%	0.393	S	S	.	.	S	Bend	trans	-97.1	169.3	169.3	-65.3	-177.5	178.7	0	0	111.4	H66 E71 P95	H66-E69 PolarHBondContact O-N 3.2Å; E69-E71 PolarHBondContact O-N 3.11Å; E69-E71 VanDerWaalsContact O-N 3.09Å; E69-P95 WeakPolarHBondContact O-CB 3.48Å
70	V	91.1	Very high	78.2	Confident	21 Å²	21	70.6 Å²	70.6	13%	0.127	37%	0.374	C	S	.	.			trans	-77.5	97.3	172.6	-178.4	0	0	0	0	108.6	A83 T90 C93	V70-A83 HydrophobicContact CB-CB 4.07Å; V70-A83 HydrophobicContact CG1-CB 3.85Å; V70-A83 WeakPolarHBondContact O-CB 3.28Å; V70-A83 PolarHBondContact O-N 2.89Å; V70-T90 HydrophobicContact CB-CG2 4.01Å; V70-T90 HydrophobicContact CG1-CG2 4.3Å; V70-T90 HydrophobicContact CG2-CG2 4.19Å; V70-C93 HydrophobicContact CB-CB 4.39Å; V70-C93 HydrophobicContact CG1-CB 3.55Å; V70-C93 HydrophobicContact CG2-CB 3.92Å
71	E	92.9	Very high	80.7	Confident	11 Å²	11	65.4 Å²	65.4	5%	0.051	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	142.8	175.3	-54.8	-179.8	95.6	0	0	112	R65 H66 E69 W80 F81	R65-E71 VanDerWaalsContact CA-OE1 3.32Å; R65-E71 WeakPolarHBondContact CA-OE1 3.41Å; R65-E71 IonicContact CZ-OE2 3.72Å; R65-E71 IonicContact NE-OE1 2.79Å; R65-E71 IonicContact NE-OE2 3.9Å; R65-E71 PolarHBondContact NE-OE2 2.74Å; R65-E71 IonicContact NH2-OE2 3.62Å; R65-E71 PolarHBondContact NH2-OE2 2.9Å; R65-E71 VanDerWaalsContact NH2-OE2 3.12Å; H66-E71 VanDerWaalsContact C-CD 3.49Å; H66-E71 PolarHBondContact N-OE1 3.22Å; H66-E71 WeakPolarHBondContact O-CG 3.36Å; E69-E71 PolarHBondContact O-N 3.11Å; E69-E71 VanDerWaalsContact O-N 3.09Å; E71-W80 HydrophobicContact CB-CE3 3.81Å; E71-W80 HydrophobicContact CB-CZ3 4.14Å; E71-F81 CarbonylContact C-O 3.58Å; E71-F81 VanDerWaalsContact CA-O 3.31Å; E71-F81 WeakPolarHBondContact CA-O 3.25Å
72	L	92.3	Very high	83.1	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	127.4	-178.1	-57.4	176.1	0	0	0	110.8	F81 A83 I88 Y100 F102 F115	L72-F81 PolarHBondContact N-O 3.47Å; L72-F81 PolarHBondContact O-N 2.89Å; L72-A83 HydrophobicContact CD1-CB 4.32Å; L72-I88 HydrophobicContact CD1-CD1 3.4Å; L72-Y100 WeakPolarHBondContact CA-OH 3.4Å; L72-Y100 HydrophobicContact CB-CE2 4.18Å; L72-Y100 HydrophobicContact CD2-CD1 4.07Å; L72-Y100 HydrophobicContact CD2-CD2 4.05Å; L72-Y100 HydrophobicContact CD2-CE1 3.77Å; L72-Y100 HydrophobicContact CD2-CE2 3.81Å; L72-Y100 HydrophobicContact CD2-CG 4.2Å; L72-F102 HydrophobicContact CB-CB 4.09Å; L72-F102 HydrophobicContact CB-CD1 3.67Å; L72-F102 HydrophobicContact CB-CD2 4Å; L72-F102 HydrophobicContact CB-CE1 4.12Å; L72-F102 HydrophobicContact CB-CE2 4.36Å; L72-F102 HydrophobicContact CB-CG 3.64Å; L72-F102 HydrophobicContact CB-CZ 4.46Å; L72-F102 HydrophobicContact CD1-CD2 3.65Å; L72-F102 HydrophobicContact CD1-CE2 3.96Å; L72-F102 HydrophobicContact CD1-CG 4.11Å; L72-F102 HydrophobicContact CG-CD2 4.47Å; L72-F102 HydrophobicContact CG-CG 4.47Å; L72-F115 HydrophobicContact CD1-CD2 3.63Å; L72-F115 HydrophobicContact CD1-CE2 3.79Å; L72-F115 HydrophobicContact CD1-CG 4.27Å; L72-F115 HydrophobicContact CD2-CD2 4.12Å; L72-F115 HydrophobicContact CD2-CE2 3.53Å; L72-F115 HydrophobicContact CD2-CZ 4.3Å; L72-F115 HydrophobicContact CG-CE2 4.33Å
73	Q	93.5	Very high	84.9	Confident	31 Å²	31	48.7 Å²	48.7	15%	0.145	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	124.7	174.8	-166.1	-180	34.7	0	0	110.5	A75 M78 K79 W80 Y100 P223 Y225	Q73-A75 PolarHBondContact O-N 3.24Å; Q73-M78 WeakPolarHBondContact CG-O 3.4Å; Q73-M78 PolarHBondContact NE2-O 3.34Å; Q73-K79 WeakPolarHBondContact CA-O 3.18Å; Q73-W80 HydrophobicContact CB-CD2 3.78Å; Q73-W80 HydrophobicContact CB-CE3 3.89Å; Q73-W80 HydrophobicContact CB-CG 4.47Å; Q73-W80 HydrophobicContact CB-CH2 3.85Å; Q73-W80 HydrophobicContact CB-CZ2 3.71Å; Q73-W80 HydrophobicContact CB-CZ3 3.95Å; Q73-W80 HydrophobicContact CG-CD2 4.12Å; Q73-W80 HydrophobicContact CG-CG 4.42Å; Q73-W80 HydrophobicContact CG-CZ2 4.09Å; Q73-Y100 PolarHBondContact N-OH 2.91Å; Q73-P223 HydrophobicContact CB-CG 4.12Å; Q73-Y225 HydrophobicContact CB-CE2 4.39Å; Q73-Y225 HydrophobicContact CG-CE2 4.47Å; Q73-Y225 PolarHBondContact O-OH 2.95Å
74	C	92.1	Very high	86.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.266	C	S	.	.			trans	-69.1	126.4	176.9	179.5	0	0	0	0	110.5	L76 C77 M78 K79 F81 F102 C104	C74-L76 PolarHBondContact O-N 3.48Å; C74-L76 VanDerWaalsContact O-N 3.14Å; C74-C77 WeakPolarHBondContact CB-SG 3.26Å; C74-M78 WeakPolarHBondContact O-CA 3.44Å; C74-M78 PolarHBondContact O-N 3.33Å; C74-K79 PolarHBondContact N-O 3.46Å; C74-F81 HydrophobicContact CB-CD2 4.43Å; C74-F81 HydrophobicContact CB-CE2 3.85Å; C74-F102 CarbonylContact C-O 3.57Å; C74-F102 VanDerWaalsContact CA-O 3.31Å; C74-F102 WeakPolarHBondContact CA-O 3.43Å; C74-F102 HydrophobicContact CB-CD1 4.11Å; C74-F102 HydrophobicContact CB-CE1 4.15Å; C74-C104 HydrophobicContact CB-CB 4.48Å; C74-C104 PolarHBondContact SG-N 3.16Å
75	A	90.1	Very high	87.7	Confident	23 Å²	23	50.5 Å²	50.5	19%	0.19	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-18.4	-179.7	0	0	0	0	0	114.1	Q73 F102 Y225	Q73-A75 PolarHBondContact O-N 3.24Å; A75-F102 PolarHBondContact N-O 3.47Å; A75-Y225 VanDerWaalsContact CA-CE2 3.41Å; A75-Y225 HydrophobicContact CB-CD1 3.67Å; A75-Y225 HydrophobicContact CB-CD2 4.09Å; A75-Y225 HydrophobicContact CB-CE1 3.41Å; A75-Y225 VanDerWaalsContact CB-CE1 3.41Å; A75-Y225 HydrophobicContact CB-CE2 3.82Å; A75-Y225 HydrophobicContact CB-CG 4Å; A75-Y225 VanDerWaalsContact CB-CZ 3.47Å
76	L	86.5	Confident	87.9	Confident	105 Å²	105	49.6 Å²	49.6	55%	0.55	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-54.4	-173.7	-61.5	175.5	0	0	0	112	C74 H103 C107	C74-L76 PolarHBondContact O-N 3.48Å; C74-L76 VanDerWaalsContact O-N 3.14Å; L76-H103 HydrophobicContact CD1-CB 4.49Å; L76-C107 HydrophobicContact CB-CB 3.81Å; L76-C107 HydrophobicContact CD1-CB 3.71Å; L76-C107 WeakPolarHBondContact CD1-O 3.31Å; L76-C107 HydrophobicContact CG-CB 4.36Å
77	C	90.2	Very high	88.2	Confident	49 Å²	49	50.5 Å²	50.5	33%	0.331	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-5.1	179.9	65.4	0	0	0	0	114.2	C74 K79 C107	C74-C77 WeakPolarHBondContact CB-SG 3.26Å; C77-K79 HydrophobicContact CB-CG 4.45Å; C77-K79 PolarHBondContact O-N 2.89Å; C77-C107 VanDerWaalsContact CB-SG 3.52Å; C77-C107 VanDerWaalsContact SG-SG 3.64Å
78	M	91.3	Very high	88.5	Confident	67 Å²	67	49 Å²	49	33%	0.33	27%	0.269	S	S	.	.			trans	59.6	7.3	-178.1	-57.4	-62.6	-137.3	0	0	115.4	Q73 C74 Y225 N227	Q73-M78 WeakPolarHBondContact CG-O 3.4Å; Q73-M78 PolarHBondContact NE2-O 3.34Å; C74-M78 WeakPolarHBondContact O-CA 3.44Å; C74-M78 PolarHBondContact O-N 3.33Å; M78-Y225 HydrophobicContact CE-CD2 4.47Å; M78-Y225 HydrophobicContact SD-CD2 3.95Å; M78-N227 VanDerWaalsContact CE-OD1 3.32Å; M78-N227 WeakPolarHBondContact CE-OD1 3.46Å
79	K	90.7	Very high	88.6	Confident	113 Å²	113	52.9 Å²	52.9	49%	0.491	28%	0.283	S	S	.	.			trans	-75.6	148.2	174.6	-64.9	-172.3	176.1	-170.7	0	111.1	Q73 C74 C77 F81	Q73-K79 WeakPolarHBondContact CA-O 3.18Å; C74-K79 PolarHBondContact N-O 3.46Å; C77-K79 HydrophobicContact CB-CG 4.45Å; C77-K79 PolarHBondContact O-N 2.89Å; K79-F81 HydrophobicContact CB-CE2 3.7Å; K79-F81 HydrophobicContact CB-CZ 3.88Å; K79-F81 WeakPolarHBondContact O-CD2 3.36Å; K79-F81 WeakPolarHBondContact O-CE2 3.36Å
80	W	91.9	Very high	88.5	Confident	61 Å²	61	50.5 Å²	50.5	23%	0.231	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	144.7	175.5	-72.2	90.3	0	0	0	110.9	R65 E71 Q73 I221	R65-W80 VanDerWaalsContact CD-CD2 3.41Å; R65-W80 VanDerWaalsContact CD-CG 3.4Å; R65-W80 VanDerWaalsContact NH1-CE2 3.32Å; E71-W80 HydrophobicContact CB-CE3 3.81Å; E71-W80 HydrophobicContact CB-CZ3 4.14Å; Q73-W80 HydrophobicContact CB-CD2 3.78Å; Q73-W80 HydrophobicContact CB-CE3 3.89Å; Q73-W80 HydrophobicContact CB-CG 4.47Å; Q73-W80 HydrophobicContact CB-CH2 3.85Å; Q73-W80 HydrophobicContact CB-CZ2 3.71Å; Q73-W80 HydrophobicContact CB-CZ3 3.95Å; Q73-W80 HydrophobicContact CG-CD2 4.12Å; Q73-W80 HydrophobicContact CG-CG 4.42Å; Q73-W80 HydrophobicContact CG-CZ2 4.09Å; W80-I221 VanDerWaalsContact CH2-O 3.24Å; W80-I221 WeakPolarHBondContact CH2-O 3.36Å
81	F	92.3	Very high	88.1	Confident	45 Å²	45	53.1 Å²	53.1	20%	0.197	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	148.1	178.9	-56.8	-95.8	0	0	0	110	E71 L72 C74 K79 F86 F102 C104	E71-F81 CarbonylContact C-O 3.58Å; E71-F81 VanDerWaalsContact CA-O 3.31Å; E71-F81 WeakPolarHBondContact CA-O 3.25Å; L72-F81 PolarHBondContact N-O 3.47Å; L72-F81 PolarHBondContact O-N 2.89Å; C74-F81 HydrophobicContact CB-CD2 4.43Å; C74-F81 HydrophobicContact CB-CE2 3.85Å; K79-F81 HydrophobicContact CB-CE2 3.7Å; K79-F81 HydrophobicContact CB-CZ 3.88Å; K79-F81 WeakPolarHBondContact O-CD2 3.36Å; K79-F81 WeakPolarHBondContact O-CE2 3.36Å; F81-F86 HydrophobicContact CB-CD2 4.29Å; F81-F86 HydrophobicContact CB-CE2 3.48Å; F81-F86 VanDerWaalsContact CB-CE2 3.48Å; F81-F86 HydrophobicContact CB-CZ 4.36Å; F81-F86 AromaticContact CD1-CE2 3.62Å; F81-F86 HydrophobicContact CD1-CE2 3.62Å; F81-F86 AromaticContact CD1-CZ 3.62Å; F81-F86 HydrophobicContact CD1-CZ 3.62Å; F81-F86 HydrophobicContact CD2-CE2 4.3Å; F81-F86 HydrophobicContact CE1-CE2 4.41Å; F81-F86 HydrophobicContact CE1-CZ 4.01Å; F81-F86 AromaticContact CG-CE2 3.55Å; F81-F86 HydrophobicContact CG-CE2 3.55Å; F81-F86 AromaticContact CG-CZ 3.99Å; F81-F86 HydrophobicContact CG-CZ 3.99Å; F81-F102 HydrophobicContact CB-CE1 4.43Å; F81-F102 AromaticContact CD2-CE1 3.67Å; F81-F102 HydrophobicContact CD2-CE1 3.67Å; F81-F102 HydrophobicContact CD2-CZ 4.38Å; F81-F102 HydrophobicContact CE2-CE1 4.29Å; F81-F102 HydrophobicContact CG-CE1 4.3Å; F81-C104 HydrophobicContact CD2-CB 4.36Å; F81-C104 HydrophobicContact CE1-CB 4.29Å; F81-C104 HydrophobicContact CE2-CB 3.76Å; F81-C104 HydrophobicContact CZ-CB 3.73Å
82	T	90.9	Very high	87.6	Confident	23 Å²	23	55 Å²	55	14%	0.141	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	142.2	168.5	59.4	0	0	0	0	109.6	H66 D84 T85	H66-T82 HydrophobicContact CB-CG2 4.34Å; H66-T82 WeakPolarHBondContact ND1-CG2 3.35Å; T82-D84 PolarHBondContact O-N 2.77Å; T82-T85 VanDerWaalsContact O-CB 3.27Å; T82-T85 WeakPolarHBondContact O-CB 3.42Å; T82-T85 PolarHBondContact O-N 2.68Å; T82-T85 VanDerWaalsContact O-N 3.13Å; T82-T85 PolarHBondContact O-OG1 2.8Å; T82-T85 PolarHBondContact OG1-OG1 3.07Å
83	A	86.2	Confident	87.4	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.008	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-58.2	-33.1	178.9	0	0	0	0	0	112.5	V70 L72 T85 F86 S87 I88 T90	V70-A83 HydrophobicContact CB-CB 4.07Å; V70-A83 HydrophobicContact CG1-CB 3.85Å; V70-A83 WeakPolarHBondContact O-CB 3.28Å; V70-A83 PolarHBondContact O-N 2.89Å; L72-A83 HydrophobicContact CD1-CB 4.32Å; A83-T85 VanDerWaalsContact C-N 3.27Å; A83-T85 PolarHBondContact O-N 2.92Å; A83-F86 PolarHBondContact O-N 3.18Å; A83-F86 VanDerWaalsContact O-N 3.11Å; A83-S87 PolarHBondContact O-N 2.91Å; A83-I88 HydrophobicContact CB-CB 4.17Å; A83-I88 HydrophobicContact CB-CG2 4.47Å; A83-I88 PolarHBondContact O-N 2.85Å; A83-T90 HydrophobicContact CB-CG2 3.48Å; A83-T90 VanDerWaalsContact CB-CG2 3.48Å
84	D	83.6	Confident	87.3	Confident	111 Å²	111	54.5 Å²	54.5	59%	0.594	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-62.4	-33	178.5	-67.3	-4.9	0	0	0	112.5	T82 F86 S87	T82-D84 PolarHBondContact O-N 2.77Å; D84-F86 PolarHBondContact O-N 3.22Å; D84-S87 PolarHBondContact O-N 3.24Å; D84-S87 VanDerWaalsContact O-N 3.09Å
85	T	85.9	Confident	87.3	Confident	73 Å²	73	55.5 Å²	55.5	45%	0.448	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-54.8	-25.8	175.9	-59.2	0	0	0	0	112.1	T82 A83	T82-T85 VanDerWaalsContact O-CB 3.27Å; T82-T85 WeakPolarHBondContact O-CB 3.42Å; T82-T85 PolarHBondContact O-N 2.68Å; T82-T85 VanDerWaalsContact O-N 3.13Å; T82-T85 PolarHBondContact O-OG1 2.8Å; T82-T85 PolarHBondContact OG1-OG1 3.07Å; A83-T85 VanDerWaalsContact C-N 3.27Å; A83-T85 PolarHBondContact O-N 2.92Å
86	F	83.1	Confident	87.5	Confident	28 Å²	28	54.9 Å²	54.9	12%	0.123	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-119.6	15.7	-177.2	-58.1	-68.4	0	0	0	114.1	F81 A83 D84 I88 F102 C104 N105 T113	F81-F86 HydrophobicContact CB-CD2 4.29Å; F81-F86 HydrophobicContact CB-CE2 3.48Å; F81-F86 VanDerWaalsContact CB-CE2 3.48Å; F81-F86 HydrophobicContact CB-CZ 4.36Å; F81-F86 AromaticContact CD1-CE2 3.62Å; F81-F86 HydrophobicContact CD1-CE2 3.62Å; F81-F86 AromaticContact CD1-CZ 3.62Å; F81-F86 HydrophobicContact CD1-CZ 3.62Å; F81-F86 HydrophobicContact CD2-CE2 4.3Å; F81-F86 HydrophobicContact CE1-CE2 4.41Å; F81-F86 HydrophobicContact CE1-CZ 4.01Å; F81-F86 AromaticContact CG-CE2 3.55Å; F81-F86 HydrophobicContact CG-CE2 3.55Å; F81-F86 AromaticContact CG-CZ 3.99Å; F81-F86 HydrophobicContact CG-CZ 3.99Å; A83-F86 PolarHBondContact O-N 3.18Å; A83-F86 VanDerWaalsContact O-N 3.11Å; D84-F86 PolarHBondContact O-N 3.22Å; F86-I88 HydrophobicContact CB-CD1 4.1Å; F86-I88 HydrophobicContact CB-CG1 4.11Å; F86-I88 PolarHBondContact O-N 2.86Å; F86-I88 VanDerWaalsContact O-N 3.16Å; F86-F102 AromaticContact CD2-CE2 3.97Å; F86-F102 HydrophobicContact CD2-CE2 3.97Å; F86-F102 AromaticContact CD2-CZ 3.54Å; F86-F102 HydrophobicContact CD2-CZ 3.54Å; F86-F102 HydrophobicContact CE2-CE1 4.23Å; F86-F102 HydrophobicContact CE2-CE2 4.31Å; F86-F102 AromaticContact CE2-CZ 3.42Å; F86-F102 HydrophobicContact CE2-CZ 3.42Å; F86-F102 VanDerWaalsContact CE2-CZ 3.42Å; F86-F102 HydrophobicContact CG-CZ 4.39Å; F86-F102 HydrophobicContact CZ-CZ 4.21Å; F86-C104 HydrophobicContact CE1-CB 4.45Å; F86-C104 HydrophobicContact CE2-CB 4.46Å; F86-C104 HydrophobicContact CZ-CB 3.84Å; F86-N105 HydrophobicContact CE1-CB 4.28Å; F86-N105 WeakPolarHBondContact CE1-OD1 3.46Å; F86-T113 HydrophobicContact CB-CG2 3.68Å; F86-T113 HydrophobicContact CD1-CG2 4.13Å; F86-T113 WeakPolarHBondContact CD1-OG1 3.37Å; F86-T113 HydrophobicContact CD2-CG2 4.26Å; F86-T113 HydrophobicContact CG-CG2 3.76Å; F86-T113 WeakPolarHBondContact CG-OG1 3.24Å
87	S	83.5	Confident	87.7	Confident	117 Å²	117	50.2 Å²	50.2	82%	0.818	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	34.8	-178.3	-56.3	0	0	0	0	113.2	A83 D84	A83-S87 PolarHBondContact O-N 2.91Å; D84-S87 PolarHBondContact O-N 3.24Å; D84-S87 VanDerWaalsContact O-N 3.09Å
88	I	83	Confident	87.8	Confident	22 Å²	22	48.5 Å²	48.5	11%	0.113	27%	0.273	C	S	.	.			trans	-76.7	129.6	176.9	-69.5	169.3	0	0	0	108.5	L72 A83 F86 T90 F102 T113 F115	L72-I88 HydrophobicContact CD1-CD1 3.4Å; A83-I88 HydrophobicContact CB-CB 4.17Å; A83-I88 HydrophobicContact CB-CG2 4.47Å; A83-I88 PolarHBondContact O-N 2.85Å; F86-I88 HydrophobicContact CB-CD1 4.1Å; F86-I88 HydrophobicContact CB-CG1 4.11Å; F86-I88 PolarHBondContact O-N 2.86Å; F86-I88 VanDerWaalsContact O-N 3.16Å; I88-T90 WeakPolarHBondContact O-CG2 3.5Å; I88-T90 PolarHBondContact O-N 3.36Å; I88-F102 HydrophobicContact CD1-CD2 4.06Å; I88-F102 HydrophobicContact CD1-CE2 3.7Å; I88-T113 HydrophobicContact CD1-CG2 4.03Å; I88-F115 HydrophobicContact CD1-CB 3.76Å; I88-F115 HydrophobicContact CD1-CD1 4.49Å; I88-F115 HydrophobicContact CD1-CD2 4.5Å; I88-F115 HydrophobicContact CD1-CG 4.02Å; I88-F115 HydrophobicContact CG1-CB 4.34Å; I88-F115 HydrophobicContact CG2-CD1 3.54Å; I88-F115 HydrophobicContact CG2-CE1 3.77Å; I88-F115 HydrophobicContact CG2-CG 4.13Å
89	D	82.2	Confident	87.7	Confident	108 Å²	108	45.6 Å²	45.6	58%	0.578	26%	0.259	S	S	*	.			trans	-61.2	109.7	173.4	178.6	16.6	0	0	0	110.8	A91	D89-A91 WeakPolarHBondContact OD1-CB 3.48Å; D89-A91 PolarHBondContact OD1-N 3.22Å
90	T	84.6	Confident	87.7	Confident	51 Å²	51	40.3 Å²	40.3	31%	0.313	24%	0.236	S	C	.	.			trans	-87	-4	-179.1	53.9	0	0	0	0	113.1	V70 A83 I88 T92 C93	V70-T90 HydrophobicContact CB-CG2 4.01Å; V70-T90 HydrophobicContact CG1-CG2 4.3Å; V70-T90 HydrophobicContact CG2-CG2 4.19Å; A83-T90 HydrophobicContact CB-CG2 3.48Å; A83-T90 VanDerWaalsContact CB-CG2 3.48Å; I88-T90 WeakPolarHBondContact O-CG2 3.5Å; I88-T90 PolarHBondContact O-N 3.36Å; T90-T92 PolarHBondContact O-N 2.81Å; T90-C93 PolarHBondContact O-N 3.05Å
91	A	83.3	Confident	87.6	Confident	75 Å²	75	38.4 Å²	38.4	62%	0.62	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.7	-177	0	0	0	0	0	113.6	D89	D89-A91 WeakPolarHBondContact OD1-CB 3.48Å; D89-A91 PolarHBondContact OD1-N 3.22Å
92	T	82.3	Confident	87.6	Confident	50 Å²	50	36.3 Å²	36.3	31%	0.307	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	13.6	178.5	66.8	0	0	0	0	113.6	T90 R117 C164	T90-T92 PolarHBondContact O-N 2.81Å; T92-R117 PolarHBondContact O-NH1 2.89Å; T92-R117 VanDerWaalsContact OG1-CZ 3.32Å; T92-R117 PolarHBondContact OG1-NE 3.06Å; T92-R117 PolarHBondContact OG1-NH2 3.01Å; T92-C164 WeakPolarHBondContact O-CA 3.45Å
93	C	88.7	Confident	87.7	Confident	9 Å²	9	37 Å²	37	6%	0.061	22%	0.224	C	C	.	.			trans	-110.5	155.6	-177.7	-63.2	0	0	0	0	110.6	V70 T90 M97	V70-C93 HydrophobicContact CB-CB 4.39Å; V70-C93 HydrophobicContact CG1-CB 3.55Å; V70-C93 HydrophobicContact CG2-CB 3.92Å; T90-C93 PolarHBondContact O-N 3.05Å; C93-M97 HydrophobicContact CB-SD 3.92Å
94	L	91.5	Very high	87.8	Confident	14 Å²	14	37.1 Å²	37.1	7%	0.073	22%	0.224	C	C	.	.			trans	-127.6	148.1	172.9	-74.8	172.7	0	0	0	109.4	M97 T128 F157 Y161 C164 M165	L94-M97 WeakPolarHBondContact O-CB 3.41Å; L94-M97 WeakPolarHBondContact O-CG 3.18Å; L94-M97 PolarHBondContact O-N 3Å; L94-T128 HydrophobicContact CB-CG2 4.24Å; L94-T128 HydrophobicContact CD1-CG2 4.17Å; L94-F157 HydrophobicContact CD1-CE1 4.37Å; L94-Y161 HydrophobicContact CD1-CG 4.27Å; L94-Y161 HydrophobicContact CD2-CD1 3.84Å; L94-Y161 HydrophobicContact CD2-CD2 4.45Å; L94-Y161 HydrophobicContact CD2-CE1 4.22Å; L94-Y161 HydrophobicContact CD2-CG 3.97Å; L94-C164 HydrophobicContact CD1-CB 3.92Å; L94-C164 HydrophobicContact CD2-CB 4.45Å; L94-C164 HydrophobicContact CG-CB 3.73Å; L94-M165 HydrophobicContact CD1-CG 3.98Å; L94-M165 HydrophobicContact CD1-SD 3.56Å; L94-M165 VanDerWaalsContact CD1-SD 3.56Å
95	P	92.4	Very high	88	Confident	21 Å²	21	33.6 Å²	33.6	14%	0.136	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	149	163.5	-23.5	34.3	0	0	0	110.6	G68 E69 M97 N132	G68-P95 WeakPolarHBondContact O-CG 3.39Å; E69-P95 WeakPolarHBondContact O-CB 3.48Å; P95-M97 PolarHBondContact O-N 2.93Å; P95-N132 PolarHBondContact O-ND2 3.16Å
96	F	93.3	Very high	88.2	Confident	10 Å²	10	35.8 Å²	35.8	4%	0.044	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	17.3	178.3	-41.3	-75.4	0	0	0	115.5	Q67 T128 A131 W135 L218 I221	Q67-F96 HydrophobicContact CB-CE1 4.34Å; Q67-F96 HydrophobicContact CB-CZ 4.22Å; Q67-F96 HydrophobicContact CG-CE1 4.44Å; F96-T128 PolarHBondContact O-OG1 2.69Å; F96-T128 VanDerWaalsContact O-OG1 3.11Å; F96-A131 HydrophobicContact CB-CB 3.54Å; F96-A131 HydrophobicContact CD1-CB 4.39Å; F96-A131 HydrophobicContact CD2-CB 4.02Å; F96-A131 HydrophobicContact CG-CB 3.73Å; F96-W135 HydrophobicContact CE2-CB 3.59Å; F96-W135 HydrophobicContact CE2-CD2 4.42Å; F96-W135 AromaticContact CE2-CG 3.78Å; F96-W135 HydrophobicContact CE2-CG 3.78Å; F96-W135 HydrophobicContact CZ-CB 3.85Å; F96-W135 HydrophobicContact CZ-CD2 4.02Å; F96-W135 HydrophobicContact CZ-CE3 4.22Å; F96-W135 AromaticContact CZ-CG 3.85Å; F96-W135 HydrophobicContact CZ-CG 3.85Å; F96-L218 HydrophobicContact CD1-CB 4.19Å; F96-L218 HydrophobicContact CE1-CB 3.67Å; F96-L218 HydrophobicContact CE1-CD1 4.11Å; F96-L218 HydrophobicContact CE1-CG 4.49Å; F96-L218 HydrophobicContact CZ-CB 4.32Å; F96-L218 HydrophobicContact CZ-CD1 3.93Å; F96-I221 HydrophobicContact CB-CG2 4.37Å
97	M	91.8	Very high	88	Confident	6 Å²	6	36.4 Å²	36.4	3%	0.03	23%	0.226	C	C	.	.			trans	-65.6	145.4	167.6	68.3	179.4	-62.7	0	0	110.1	C93 L94 P95 Y100 R117 T128	C93-M97 HydrophobicContact CB-SD 3.92Å; L94-M97 WeakPolarHBondContact O-CB 3.41Å; L94-M97 WeakPolarHBondContact O-CG 3.18Å; L94-M97 PolarHBondContact O-N 3Å; P95-M97 PolarHBondContact O-N 2.93Å; M97-Y100 HydrophobicContact CE-CD1 4Å; M97-Y100 HydrophobicContact CG-CD1 3.78Å; M97-Y100 HydrophobicContact CG-CE1 3.9Å; M97-Y100 VanDerWaalsContact O-CE1 3.23Å; M97-Y100 WeakPolarHBondContact O-CE1 3.32Å; M97-Y100 HydrophobicContact SD-CD1 4.27Å; M97-R117 HydrophobicContact CE-CG 3.95Å; M97-T128 HydrophobicContact CB-CG2 4.46Å
98	T	91.5	Very high	87.9	Confident	13 Å²	13	32.5 Å²	32.5	8%	0.08	19%	0.194	C	C	.	.			trans	-124.6	-10.9	179.8	58.3	0	0	0	0	112.6	Y100 L127 I221 G222 P223	T98-Y100 VanDerWaalsContact C-N 3.32Å; T98-Y100 PolarHBondContact O-N 3.28Å; T98-Y100 VanDerWaalsContact O-N 3.11Å; T98-L127 HydrophobicContact CG2-CD2 4.16Å; T98-I221 HydrophobicContact CG2-CG2 3.73Å; T98-G222 WeakPolarHBondContact CG2-O 3.33Å; T98-P223 WeakPolarHBondContact O-CB 3.35Å
99	N	89.4	Confident	87.1	Confident	6 Å²	6	38.2 Å²	38.2	3%	0.032	22%	0.22	C	C	.	.	S	Bend	trans	-86.9	62.2	-178.6	60.3	-62.4	0	0	0	111.6	K118 A120	N99-K118 PolarHBondContact ND2-O 3.09Å; N99-K118 PolarHBondContact O-N 2.92Å; N99-A120 HydrophobicContact CB-CB 3.98Å
100	Y	90.5	Very high	86.6	Confident	3 Å²	3	35.8 Å²	35.8	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	172.6	172.6	64.2	-95.7	0	0	0	112.2	L72 Q73 M97 T98 F102 F115 L116 P223	L72-Y100 WeakPolarHBondContact CA-OH 3.4Å; L72-Y100 HydrophobicContact CB-CE2 4.18Å; L72-Y100 HydrophobicContact CD2-CD1 4.07Å; L72-Y100 HydrophobicContact CD2-CD2 4.05Å; L72-Y100 HydrophobicContact CD2-CE1 3.77Å; L72-Y100 HydrophobicContact CD2-CE2 3.81Å; L72-Y100 HydrophobicContact CD2-CG 4.2Å; Q73-Y100 PolarHBondContact N-OH 2.91Å; M97-Y100 HydrophobicContact CE-CD1 4Å; M97-Y100 HydrophobicContact CG-CD1 3.78Å; M97-Y100 HydrophobicContact CG-CE1 3.9Å; M97-Y100 VanDerWaalsContact O-CE1 3.23Å; M97-Y100 WeakPolarHBondContact O-CE1 3.32Å; M97-Y100 HydrophobicContact SD-CD1 4.27Å; T98-Y100 VanDerWaalsContact C-N 3.32Å; T98-Y100 PolarHBondContact O-N 3.28Å; T98-Y100 VanDerWaalsContact O-N 3.11Å; Y100-F102 HydrophobicContact CD2-CB 3.72Å; Y100-F102 HydrophobicContact CE2-CB 3.7Å; Y100-F115 HydrophobicContact CD2-CE2 4.21Å; Y100-F115 AromaticContact CG-CE2 3.98Å; Y100-F115 HydrophobicContact CG-CE2 3.98Å; Y100-L116 CarbonylContact C-O 3.57Å; Y100-L116 WeakPolarHBondContact CA-O 3.45Å; Y100-L116 WeakPolarHBondContact CB-O 3.3Å; Y100-P223 HydrophobicContact CE2-CG 4.06Å; Y100-P223 WeakPolarHBondContact OH-CD 3.05Å
101	V	89.8	Confident	86.2	Confident	21 Å²	21	35.6 Å²	35.6	13%	0.127	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130.3	161.3	178.2	0	0	0	0	107.2	Y114 L116 K118	V101-Y114 HydrophobicContact CB-CE1 4.33Å; V101-Y114 HydrophobicContact CG1-CD1 4.43Å; V101-Y114 HydrophobicContact CG1-CE1 3.95Å; V101-L116 PolarHBondContact N-O 3.32Å; V101-L116 PolarHBondContact O-N 3.13Å; V101-K118 HydrophobicContact CG2-CD 4.06Å
102	F	92.6	Very high	86.1	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	132.3	-179	173	-104.7	0	0	0	109.9	L72 C74 A75 F81 F86 I88 Y100 C104 T113 Y114 F115 Y225	L72-F102 HydrophobicContact CB-CB 4.09Å; L72-F102 HydrophobicContact CB-CD1 3.67Å; L72-F102 HydrophobicContact CB-CD2 4Å; L72-F102 HydrophobicContact CB-CE1 4.12Å; L72-F102 HydrophobicContact CB-CE2 4.36Å; L72-F102 HydrophobicContact CB-CG 3.64Å; L72-F102 HydrophobicContact CB-CZ 4.46Å; L72-F102 HydrophobicContact CD1-CD2 3.65Å; L72-F102 HydrophobicContact CD1-CE2 3.96Å; L72-F102 HydrophobicContact CD1-CG 4.11Å; L72-F102 HydrophobicContact CG-CD2 4.47Å; L72-F102 HydrophobicContact CG-CG 4.47Å; C74-F102 CarbonylContact C-O 3.57Å; C74-F102 VanDerWaalsContact CA-O 3.31Å; C74-F102 WeakPolarHBondContact CA-O 3.43Å; C74-F102 HydrophobicContact CB-CD1 4.11Å; C74-F102 HydrophobicContact CB-CE1 4.15Å; A75-F102 PolarHBondContact N-O 3.47Å; F81-F102 HydrophobicContact CB-CE1 4.43Å; F81-F102 AromaticContact CD2-CE1 3.67Å; F81-F102 HydrophobicContact CD2-CE1 3.67Å; F81-F102 HydrophobicContact CD2-CZ 4.38Å; F81-F102 HydrophobicContact CE2-CE1 4.29Å; F81-F102 HydrophobicContact CG-CE1 4.3Å; F86-F102 AromaticContact CD2-CE2 3.97Å; F86-F102 HydrophobicContact CD2-CE2 3.97Å; F86-F102 AromaticContact CD2-CZ 3.54Å; F86-F102 HydrophobicContact CD2-CZ 3.54Å; F86-F102 HydrophobicContact CE2-CE1 4.23Å; F86-F102 HydrophobicContact CE2-CE2 4.31Å; F86-F102 AromaticContact CE2-CZ 3.42Å; F86-F102 HydrophobicContact CE2-CZ 3.42Å; F86-F102 VanDerWaalsContact CE2-CZ 3.42Å; F86-F102 HydrophobicContact CG-CZ 4.39Å; F86-F102 HydrophobicContact CZ-CZ 4.21Å; I88-F102 HydrophobicContact CD1-CD2 4.06Å; I88-F102 HydrophobicContact CD1-CE2 3.7Å; Y100-F102 HydrophobicContact CD2-CB 3.72Å; Y100-F102 HydrophobicContact CE2-CB 3.7Å; F102-C104 HydrophobicContact CE1-CB 4.17Å; F102-C104 HydrophobicContact CZ-CB 4.22Å; F102-T113 HydrophobicContact CD2-CG2 4.15Å; F102-T113 HydrophobicContact CE2-CG2 3.29Å; F102-T113 HydrophobicContact CZ-CG2 3.97Å; F102-Y114 CarbonylContact C-O 3.55Å; F102-Y114 VanDerWaalsContact CA-O 3.27Å; F102-Y114 WeakPolarHBondContact CA-O 3.34Å; F102-Y114 WeakPolarHBondContact CD2-O 3.09Å; F102-F115 HydrophobicContact CB-CD2 4.38Å; F102-F115 HydrophobicContact CD2-CB 4.19Å; F102-F115 HydrophobicContact CD2-CD2 4.27Å; F102-Y225 PolarHBondContact N-OH 3.37Å
103	H	91.7	Very high	86.1	Confident	39 Å²	39	37.1 Å²	37.1	18%	0.181	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.2	168.1	-52.2	151.4	0	0	0	108.4	L76 H108 Y114	L76-H103 HydrophobicContact CD1-CB 4.49Å; H103-H108 HydrophobicContact CB-CB 4.15Å; H103-H108 AromaticContact ND1-CD2 3.65Å; H103-Y114 PolarHBondContact N-O 2.81Å; H103-Y114 AromaticContact ND1-CD1 3.61Å; H103-Y114 PolarHBondContact O-N 2.89Å
104	C	90.1	Very high	85.9	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.014	23%	0.226	C	C	.	.			trans	-67.1	156.6	173.3	66.8	0	0	0	0	110.8	C74 F81 F86 F102 V106 C107 H108	C74-C104 HydrophobicContact CB-CB 4.48Å; C74-C104 PolarHBondContact SG-N 3.16Å; F81-C104 HydrophobicContact CD2-CB 4.36Å; F81-C104 HydrophobicContact CE1-CB 4.29Å; F81-C104 HydrophobicContact CE2-CB 3.76Å; F81-C104 HydrophobicContact CZ-CB 3.73Å; F86-C104 HydrophobicContact CE1-CB 4.45Å; F86-C104 HydrophobicContact CE2-CB 4.46Å; F86-C104 HydrophobicContact CZ-CB 3.84Å; F102-C104 HydrophobicContact CE1-CB 4.17Å; F102-C104 HydrophobicContact CZ-CB 4.22Å; C104-V106 PolarHBondContact O-N 3.26Å; C104-V106 VanDerWaalsContact O-N 3.14Å; C104-C107 PolarHBondContact O-N 3.4Å; C104-C107 PolarHBondContact SG-N 3.02Å; C104-C107 PolarHBondContact SG-SG 2.91Å; C104-H108 WeakPolarHBondContact O-CB 3.45Å; C104-H108 PolarHBondContact O-N 2.89Å
105	N	87.9	Confident	85.8	Confident	38 Å²	38	41.3 Å²	41.3	20%	0.203	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-32.7	177.4	63	-16.6	0	0	0	114	F86 G111	F86-N105 HydrophobicContact CE1-CB 4.28Å; F86-N105 WeakPolarHBondContact CE1-OD1 3.46Å; N105-G111 WeakPolarHBondContact CB-O 3.47Å; N105-G111 CarbonylContact O-C 3.52Å; N105-G111 WeakPolarHBondContact O-CA 3.43Å
106	V	88.5	Confident	85.5	Confident	118 Å²	118	42.3 Å²	42.3	72%	0.715	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-40.3	177.1	-179.4	0	0	0	0	112.1	C104	C104-V106 PolarHBondContact O-N 3.26Å; C104-V106 VanDerWaalsContact O-N 3.14Å
107	C	79	Confident	85.2	Confident	42 Å²	42	44.7 Å²	44.7	28%	0.284	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-21.7	-176.5	-65.9	0	0	0	0	113	L76 C77 C104	L76-C107 HydrophobicContact CB-CB 3.81Å; L76-C107 HydrophobicContact CD1-CB 3.71Å; L76-C107 WeakPolarHBondContact CD1-O 3.31Å; L76-C107 HydrophobicContact CG-CB 4.36Å; C77-C107 VanDerWaalsContact CB-SG 3.52Å; C77-C107 VanDerWaalsContact SG-SG 3.64Å; C104-C107 PolarHBondContact O-N 3.4Å; C104-C107 PolarHBondContact SG-N 3.02Å; C104-C107 PolarHBondContact SG-SG 2.91Å
108	H	81.6	Confident	84.8	Confident	34 Å²	34	49.6 Å²	49.6	16%	0.157	27%	0.267	C	S	.	.	S	Bend	trans	-77	129.1	177.3	-163.7	-96	0	0	0	110.6	H103 C104 S110 G111 N112 Y114	H103-H108 HydrophobicContact CB-CB 4.15Å; H103-H108 AromaticContact ND1-CD2 3.65Å; C104-H108 WeakPolarHBondContact O-CB 3.45Å; C104-H108 PolarHBondContact O-N 2.89Å; H108-S110 PolarHBondContact CE1-OG 2.95Å; H108-S110 PolarHBondContact ND1-OG 2.99Å; H108-S110 PolarHBondContact O-N 3.41Å; H108-G111 PolarHBondContact O-N 2.85Å; H108-N112 WeakPolarHBondContact CB-O 3.45Å; H108-N112 PolarHBondContact ND1-O 2.85Å; H108-Y114 VanDerWaalsContact CD2-CB 3.47Å; H108-Y114 WeakPolarHBondContact CD2-CB 3.21Å
109	H	67	Low	84.3	Confident	142 Å²	142	53.7 Å²	53.7	66%	0.657	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.8	-173	72.4	72.6	0	0	0	114.9
110	S	71.6	Confident	84.1	Confident	57 Å²	57	53.6 Å²	53.6	40%	0.399	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-1.1	179.3	78.4	0	0	0	0	113.8	H108 N112	H108-S110 PolarHBondContact CE1-OG 2.95Å; H108-S110 PolarHBondContact ND1-OG 2.99Å; H108-S110 PolarHBondContact O-N 3.41Å; S110-N112 PolarHBondContact O-N 2.72Å; S110-N112 WeakPolarHBondContact OG-CB 3.48Å; S110-N112 PolarHBondContact OG-N 2.81Å
111	G	76.3	Confident	84	Confident	48 Å²	48	57.2 Å²	57.2	50%	0.495	31%	0.305	S	S	.	.	S	Bend	trans	71.4	3.1	-170.9	0	0	0	0	0	114.6	N105 H108	N105-G111 WeakPolarHBondContact CB-O 3.47Å; N105-G111 CarbonylContact O-C 3.52Å; N105-G111 WeakPolarHBondContact O-CA 3.43Å; H108-G111 PolarHBondContact O-N 2.85Å
112	N	79.9	Confident	84.1	Confident	109 Å²	109	58 Å²	58	58%	0.583	31%	0.309	S	S	*	.	S	Bend	trans	-104.7	152.3	179.4	-63.6	-28.4	0	0	0	111	H108 S110	H108-N112 WeakPolarHBondContact CB-O 3.45Å; H108-N112 PolarHBondContact ND1-O 2.85Å; S110-N112 PolarHBondContact O-N 2.72Å; S110-N112 WeakPolarHBondContact OG-CB 3.48Å; S110-N112 PolarHBondContact OG-N 2.81Å
113	T	82.6	Confident	84.1	Confident	47 Å²	47	60.7 Å²	60.7	29%	0.288	32%	0.32	S	S	.	.			trans	-70.9	135.6	172	-55	0	0	0	0	111.3	F86 I88 F102	F86-T113 HydrophobicContact CB-CG2 3.68Å; F86-T113 HydrophobicContact CD1-CG2 4.13Å; F86-T113 WeakPolarHBondContact CD1-OG1 3.37Å; F86-T113 HydrophobicContact CD2-CG2 4.26Å; F86-T113 HydrophobicContact CG-CG2 3.76Å; F86-T113 WeakPolarHBondContact CG-OG1 3.24Å; I88-T113 HydrophobicContact CD1-CG2 4.03Å; F102-T113 HydrophobicContact CD2-CG2 4.15Å; F102-T113 HydrophobicContact CE2-CG2 3.29Å; F102-T113 HydrophobicContact CZ-CG2 3.97Å
114	Y	85.1	Confident	84.1	Confident	58 Å²	58	61.2 Å²	61.2	23%	0.227	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.9	173	173.4	-99.2	0	0	0	109.9	V101 F102 H103 H108 L116 P293	V101-Y114 HydrophobicContact CB-CE1 4.33Å; V101-Y114 HydrophobicContact CG1-CD1 4.43Å; V101-Y114 HydrophobicContact CG1-CE1 3.95Å; F102-Y114 CarbonylContact C-O 3.55Å; F102-Y114 VanDerWaalsContact CA-O 3.27Å; F102-Y114 WeakPolarHBondContact CA-O 3.34Å; F102-Y114 WeakPolarHBondContact CD2-O 3.09Å; H103-Y114 PolarHBondContact N-O 2.81Å; H103-Y114 AromaticContact ND1-CD1 3.61Å; H103-Y114 PolarHBondContact O-N 2.89Å; H108-Y114 VanDerWaalsContact CD2-CB 3.47Å; H108-Y114 WeakPolarHBondContact CD2-CB 3.21Å; Y114-L116 HydrophobicContact CE1-CB 4.23Å; Y114-L116 WeakPolarHBondContact OH-CD2 3.42Å; Y114-P293 WeakPolarHBondContact OH-CB 3.31Å; Y114-P293 WeakPolarHBondContact OH-CG 3.44Å
115	F	90.1	Very high	84.3	Confident	53 Å²	53	61.7 Å²	61.7	23%	0.232	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	126.6	177	174.9	-114.6	0	0	0	110.3	L72 I88 Y100 F102 R117	L72-F115 HydrophobicContact CD1-CD2 3.63Å; L72-F115 HydrophobicContact CD1-CE2 3.79Å; L72-F115 HydrophobicContact CD1-CG 4.27Å; L72-F115 HydrophobicContact CD2-CD2 4.12Å; L72-F115 HydrophobicContact CD2-CE2 3.53Å; L72-F115 HydrophobicContact CD2-CZ 4.3Å; L72-F115 HydrophobicContact CG-CE2 4.33Å; I88-F115 HydrophobicContact CD1-CB 3.76Å; I88-F115 HydrophobicContact CD1-CD1 4.49Å; I88-F115 HydrophobicContact CD1-CD2 4.5Å; I88-F115 HydrophobicContact CD1-CG 4.02Å; I88-F115 HydrophobicContact CG1-CB 4.34Å; I88-F115 HydrophobicContact CG2-CD1 3.54Å; I88-F115 HydrophobicContact CG2-CE1 3.77Å; I88-F115 HydrophobicContact CG2-CG 4.13Å; Y100-F115 HydrophobicContact CD2-CE2 4.21Å; Y100-F115 AromaticContact CG-CE2 3.98Å; Y100-F115 HydrophobicContact CG-CE2 3.98Å; F102-F115 HydrophobicContact CB-CD2 4.38Å; F102-F115 HydrophobicContact CD2-CB 4.19Å; F102-F115 HydrophobicContact CD2-CD2 4.27Å; F115-R117 HydrophobicContact CE1-CG 3.87Å; F115-R117 HydrophobicContact CZ-CG 3.63Å
116	L	85.8	Confident	84.6	Confident	42 Å²	42	59.9 Å²	59.9	22%	0.22	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	119.1	176.3	-179.8	71.7	0	0	0	111	Y100 V101 Y114 P293	Y100-L116 CarbonylContact C-O 3.57Å; Y100-L116 WeakPolarHBondContact CA-O 3.45Å; Y100-L116 WeakPolarHBondContact CB-O 3.3Å; V101-L116 PolarHBondContact N-O 3.32Å; V101-L116 PolarHBondContact O-N 3.13Å; Y114-L116 HydrophobicContact CE1-CB 4.23Å; Y114-L116 WeakPolarHBondContact OH-CD2 3.42Å; L116-P293 HydrophobicContact CD2-CG 3.34Å
117	R	86.1	Confident	84.9	Confident	60 Å²	60	55.7 Å²	55.7	23%	0.226	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	132.4	167.4	-61.7	-164.4	-62.3	148.6	3.1	110.6	T92 M97 F115 E163 C164	T92-R117 PolarHBondContact O-NH1 2.89Å; T92-R117 VanDerWaalsContact OG1-CZ 3.32Å; T92-R117 PolarHBondContact OG1-NE 3.06Å; T92-R117 PolarHBondContact OG1-NH2 3.01Å; M97-R117 HydrophobicContact CE-CG 3.95Å; F115-R117 HydrophobicContact CE1-CG 3.87Å; F115-R117 HydrophobicContact CZ-CG 3.63Å; R117-E163 PolarHBondContact NH1-O 2.77Å; R117-C164 PolarHBondContact NH1-O 3.16Å
118	K	83.3	Confident	85.7	Confident	109 Å²	109	53.7 Å²	53.7	47%	0.474	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-96.2	158.5	170.6	-72.4	175.4	166	167.2	0	109.5	N99 V101 A120	N99-K118 PolarHBondContact ND2-O 3.09Å; N99-K118 PolarHBondContact O-N 2.92Å; V101-K118 HydrophobicContact CG2-CD 4.06Å; K118-A120 PolarHBondContact O-N 2.9Å
119	Q	80.7	Confident	86.4	Confident	99 Å²	99	52.1 Å²	52.1	46%	0.463	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-68.2	119.1	173.2	-171.9	-166.1	-26.7	0	0	109.6
120	A	85.3	Confident	87.8	Confident	5 Å²	5	45.3 Å²	45.3	4%	0.041	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-69.4	138.3	173.9	0	0	0	0	0	111.3	N99 K118 E124 M125 M165	N99-A120 HydrophobicContact CB-CB 3.98Å; K118-A120 PolarHBondContact O-N 2.9Å; A120-E124 VanDerWaalsContact CA-OE2 3.28Å; A120-E124 WeakPolarHBondContact CA-OE2 3.28Å; A120-E124 HydrophobicContact CB-CB 4.13Å; A120-M125 HydrophobicContact CB-CG 3.78Å; A120-M165 WeakPolarHBondContact CB-O 3.34Å
121	N	89.6	Confident	88.9	Confident	79 Å²	79	42.6 Å²	42.6	42%	0.422	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-83.1	170.7	163	69.8	53.6	0	0	0	110.6	K123 E124 M125	N121-K123 VanDerWaalsContact C-N 3.28Å; N121-K123 PolarHBondContact O-N 3.42Å; N121-K123 WeakPolarHBondContact OD1-CA 3.28Å; N121-K123 VanDerWaalsContact OD1-CB 3.27Å; N121-K123 WeakPolarHBondContact OD1-CB 3.08Å; N121-K123 PolarHBondContact OD1-N 3.32Å; N121-E124 VanDerWaalsContact CG-OE2 3.29Å; N121-E124 PolarHBondContact N-OE2 2.92Å; N121-E124 PolarHBondContact ND2-OE1 3Å; N121-E124 PolarHBondContact ND2-OE2 3.37Å; N121-E124 VanDerWaalsContact ND2-OE2 3.12Å; N121-E124 PolarHBondContact O-N 2.91Å; N121-E124 PolarHBondContact OD1-N 2.89Å; N121-M125 WeakPolarHBondContact O-CG 3.38Å; N121-M125 PolarHBondContact O-N 3.26Å
122	L	90.6	Very high	89.9	Confident	38 Å²	38	40.9 Å²	40.9	20%	0.199	20%	0.197	C	C	.	.	H	α-helix	trans	-64.5	-30.1	-175.4	-170.9	59.1	0	0	0	113.2	C126 W176 N179 L180 T183	L122-C126 PolarHBondContact O-N 3.16Å; L122-C126 PolarHBondContact O-SG 2.93Å; L122-W176 HydrophobicContact CD1-CE3 4.37Å; L122-N179 HydrophobicContact CD2-CB 3.66Å; L122-L180 HydrophobicContact CD1-CD2 3.98Å; L122-L180 HydrophobicContact CG-CD2 4.48Å; L122-T183 WeakPolarHBondContact CD2-OG1 3.44Å; L122-T183 HydrophobicContact CG-CG2 4.44Å
123	K	92.6	Very high	90.6	Very high	55 Å²	55	36.9 Å²	36.9	24%	0.239	18%	0.175	C	C	.	.	H	α-helix	trans	-64.6	-48.1	174.5	170.3	-176.4	-175.2	168.3	0	110.3	N121 M125 C126 L127 T183 E187 D189 F191	N121-K123 VanDerWaalsContact C-N 3.28Å; N121-K123 PolarHBondContact O-N 3.42Å; N121-K123 WeakPolarHBondContact OD1-CA 3.28Å; N121-K123 VanDerWaalsContact OD1-CB 3.27Å; N121-K123 WeakPolarHBondContact OD1-CB 3.08Å; N121-K123 PolarHBondContact OD1-N 3.32Å; K123-M125 PolarHBondContact O-N 3.05Å; K123-C126 PolarHBondContact O-N 3.48Å; K123-L127 WeakPolarHBondContact O-CB 3.49Å; K123-L127 PolarHBondContact O-N 2.87Å; K123-T183 HydrophobicContact CB-CG2 4.26Å; K123-E187 HydrophobicContact CD-CB 4.46Å; K123-E187 HydrophobicContact CD-CG 3.95Å; K123-E187 WeakPolarHBondContact CD-OE2 3.44Å; K123-E187 WeakPolarHBondContact CE-OE2 3.38Å; K123-E187 HydrophobicContact CG-CG 4.38Å; K123-E187 IonicContact NZ-OE2 2.74Å; K123-E187 PolarHBondContact NZ-OE2 3.16Å; K123-D189 IonicContact NZ-OD2 2.79Å; K123-F191 HydrophobicContact CG-CE2 4.02Å; K123-F191 HydrophobicContact CG-CZ 4.21Å
124	E	93	Very high	91.2	Very high	51 Å²	51	34.6 Å²	34.6	24%	0.238	16%	0.161	C	C	.	.	H	α-helix	trans	-63.1	-41.5	178.5	-68.2	163.5	158.9	0	0	111.4	A120 N121 C126 L127 T128	A120-E124 VanDerWaalsContact CA-OE2 3.28Å; A120-E124 WeakPolarHBondContact CA-OE2 3.28Å; A120-E124 HydrophobicContact CB-CB 4.13Å; N121-E124 VanDerWaalsContact CG-OE2 3.29Å; N121-E124 PolarHBondContact N-OE2 2.92Å; N121-E124 PolarHBondContact ND2-OE1 3Å; N121-E124 PolarHBondContact ND2-OE2 3.37Å; N121-E124 VanDerWaalsContact ND2-OE2 3.12Å; N121-E124 PolarHBondContact O-N 2.91Å; N121-E124 PolarHBondContact OD1-N 2.89Å; E124-C126 PolarHBondContact O-N 2.91Å; E124-L127 PolarHBondContact O-N 3.06Å; E124-T128 PolarHBondContact O-N 2.79Å; E124-T128 PolarHBondContact O-OG1 2.91Å
125	M	92.9	Very high	91.7	Very high	12 Å²	12	35 Å²	35	6%	0.059	16%	0.162	C	C	.	.	H	α-helix	trans	-60.2	-44.9	173.8	-66.4	177.3	75.2	0	0	111.9	A120 N121 K123 A129 I158 W162 M165	A120-M125 HydrophobicContact CB-CG 3.78Å; N121-M125 WeakPolarHBondContact O-CG 3.38Å; N121-M125 PolarHBondContact O-N 3.26Å; K123-M125 PolarHBondContact O-N 3.05Å; M125-A129 VanDerWaalsContact O-CB 3.3Å; M125-A129 WeakPolarHBondContact O-CB 3.23Å; M125-A129 PolarHBondContact O-N 3.32Å; M125-I158 HydrophobicContact CE-CG2 3.56Å; M125-W162 HydrophobicContact CE-CE3 4.24Å; M125-W162 HydrophobicContact CE-CZ3 3.97Å; M125-M165 HydrophobicContact CB-CE 4.19Å; M125-M165 HydrophobicContact CE-CB 3.85Å; M125-M165 HydrophobicContact CG-CB 4.36Å; M125-M165 WeakPolarHBondContact O-CE 3.38Å
126	C	94.9	Very high	91.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.5	-41.4	175.8	-68.6	0	0	0	0	112.3	L122 K123 E124 A129 L130 L180 M184 F191	L122-C126 PolarHBondContact O-N 3.16Å; L122-C126 PolarHBondContact O-SG 2.93Å; K123-C126 PolarHBondContact O-N 3.48Å; E124-C126 PolarHBondContact O-N 2.91Å; C126-A129 PolarHBondContact O-N 2.88Å; C126-L130 WeakPolarHBondContact O-CB 3.41Å; C126-L130 WeakPolarHBondContact O-CG 3.46Å; C126-L130 PolarHBondContact O-N 3.31Å; C126-L180 WeakPolarHBondContact SG-CD2 3.27Å; C126-M184 HydrophobicContact CB-CG 4.03Å; C126-M184 HydrophobicContact CB-SD 3.88Å; C126-F191 HydrophobicContact CB-CE1 3.99Å; C126-F191 HydrophobicContact CB-CZ 3.73Å
127	L	95.3	Very high	92.2	Very high	30 Å²	30	32.6 Å²	32.6	16%	0.157	16%	0.156	C	C	.	.	H	α-helix	trans	-60.8	-52.5	178.2	176.1	62.3	0	0	0	111.1	T98 K123 E124 A129 L130 A131 V190 F191 L213 I221	T98-L127 HydrophobicContact CG2-CD2 4.16Å; K123-L127 WeakPolarHBondContact O-CB 3.49Å; K123-L127 PolarHBondContact O-N 2.87Å; E124-L127 PolarHBondContact O-N 3.06Å; L127-A129 VanDerWaalsContact C-N 3.32Å; L127-A129 PolarHBondContact O-N 2.84Å; L127-L130 PolarHBondContact O-N 2.98Å; L127-A131 VanDerWaalsContact O-CB 3.26Å; L127-A131 WeakPolarHBondContact O-CB 3.46Å; L127-A131 PolarHBondContact O-N 3.43Å; L127-V190 HydrophobicContact CD1-CG1 3.97Å; L127-F191 HydrophobicContact CB-CE1 4.32Å; L127-F191 HydrophobicContact CB-CZ 4.3Å; L127-L213 HydrophobicContact CD1-CD2 3.54Å; L127-I221 HydrophobicContact CD1-CD1 4.34Å; L127-I221 HydrophobicContact CD2-CG2 4.39Å; L127-I221 HydrophobicContact CG-CG2 4.48Å
128	T	94.9	Very high	92.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.1	-40	178.5	-61	0	0	0	0	111.4	L94 F96 M97 E124 N132 M165	L94-T128 HydrophobicContact CB-CG2 4.24Å; L94-T128 HydrophobicContact CD1-CG2 4.17Å; F96-T128 PolarHBondContact O-OG1 2.69Å; F96-T128 VanDerWaalsContact O-OG1 3.11Å; M97-T128 HydrophobicContact CB-CG2 4.46Å; E124-T128 PolarHBondContact O-N 2.79Å; E124-T128 PolarHBondContact O-OG1 2.91Å; T128-N132 WeakPolarHBondContact O-CB 3.39Å; T128-N132 PolarHBondContact O-N 2.87Å; T128-N132 VanDerWaalsContact O-N 3.07Å; T128-N132 PolarHBondContact O-ND2 3.05Å; T128-M165 HydrophobicContact CG2-CE 4.2Å; T128-M165 HydrophobicContact CG2-SD 3.74Å
129	A	95.9	Very high	92.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.6	-50.8	176.8	0	0	0	0	0	112.2	M125 C126 L127 A131 N132 L133 F157 I158 M165	M125-A129 VanDerWaalsContact O-CB 3.3Å; M125-A129 WeakPolarHBondContact O-CB 3.23Å; M125-A129 PolarHBondContact O-N 3.32Å; C126-A129 PolarHBondContact O-N 2.88Å; L127-A129 VanDerWaalsContact C-N 3.32Å; L127-A129 PolarHBondContact O-N 2.84Å; A129-A131 PolarHBondContact O-N 2.84Å; A129-N132 PolarHBondContact O-N 3.39Å; A129-L133 WeakPolarHBondContact O-CB 3.38Å; A129-L133 VanDerWaalsContact O-CG 3.28Å; A129-L133 WeakPolarHBondContact O-CG 3.41Å; A129-L133 PolarHBondContact O-N 2.97Å; A129-F157 HydrophobicContact CB-CD1 3.57Å; A129-F157 HydrophobicContact CB-CE1 4.05Å; A129-F157 HydrophobicContact CB-CG 4.34Å; A129-I158 HydrophobicContact CB-CD1 4.15Å; A129-I158 HydrophobicContact CB-CG1 3.81Å; A129-M165 HydrophobicContact CB-CE 3.95Å
130	L	97	Very high	93.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.4	-36.3	-179.6	-73.1	171.7	0	0	0	112.4	C126 L127 T134 F148 I154 M184 F191 F211 L213	C126-L130 WeakPolarHBondContact O-CB 3.41Å; C126-L130 WeakPolarHBondContact O-CG 3.46Å; C126-L130 PolarHBondContact O-N 3.31Å; L127-L130 PolarHBondContact O-N 2.98Å; L130-T134 VanDerWaalsContact O-CB 3.23Å; L130-T134 WeakPolarHBondContact O-CB 3.33Å; L130-T134 PolarHBondContact O-N 3.48Å; L130-T134 PolarHBondContact O-OG1 2.67Å; L130-F148 HydrophobicContact CD2-CB 4.09Å; L130-F148 HydrophobicContact CD2-CD2 3.84Å; L130-F148 HydrophobicContact CD2-CG 4.35Å; L130-I154 HydrophobicContact CD2-CD1 3.75Å; L130-I154 HydrophobicContact CD2-CG1 4.02Å; L130-I154 HydrophobicContact CG-CD1 4.43Å; L130-M184 HydrophobicContact CD1-SD 4.09Å; L130-F191 HydrophobicContact CD1-CD1 3.57Å; L130-F191 HydrophobicContact CD1-CE1 3.82Å; L130-F211 HydrophobicContact CD1-CB 4.22Å; L130-F211 HydrophobicContact CD2-CB 4.36Å; L130-F211 WeakPolarHBondContact CD2-O 3.26Å; L130-L213 HydrophobicContact CB-CD1 4.45Å; L130-L213 HydrophobicContact CB-CD2 3.78Å; L130-L213 HydrophobicContact CB-CG 3.88Å; L130-L213 HydrophobicContact CD1-CD2 4.18Å
131	A	95.7	Very high	93.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.5	-47.3	175.5	0	0	0	0	0	111.5	F96 L127 A129 T134 W135 L213 L218 I221	F96-A131 HydrophobicContact CB-CB 3.54Å; F96-A131 HydrophobicContact CD1-CB 4.39Å; F96-A131 HydrophobicContact CD2-CB 4.02Å; F96-A131 HydrophobicContact CG-CB 3.73Å; L127-A131 VanDerWaalsContact O-CB 3.26Å; L127-A131 WeakPolarHBondContact O-CB 3.46Å; L127-A131 PolarHBondContact O-N 3.43Å; A129-A131 PolarHBondContact O-N 2.84Å; A131-T134 PolarHBondContact O-N 3.3Å; A131-W135 WeakPolarHBondContact O-CB 3.48Å; A131-W135 PolarHBondContact O-N 3.39Å; A131-L213 HydrophobicContact CB-CD1 4.01Å; A131-L218 HydrophobicContact CB-CD2 4.33Å; A131-I221 HydrophobicContact CB-CD1 3.58Å
132	N	95.6	Very high	93.1	Very high	11 Å²	11	43.1 Å²	43.1	6%	0.059	21%	0.208	C	C	.	.	H	α-helix	trans	-65.5	-43.8	177	-81	-87.6	0	0	0	112.3	P95 T128 A129 T134 W135 S136 F157	P95-N132 PolarHBondContact O-ND2 3.16Å; T128-N132 WeakPolarHBondContact O-CB 3.39Å; T128-N132 PolarHBondContact O-N 2.87Å; T128-N132 VanDerWaalsContact O-N 3.07Å; T128-N132 PolarHBondContact O-ND2 3.05Å; A129-N132 PolarHBondContact O-N 3.39Å; N132-T134 VanDerWaalsContact C-N 3.34Å; N132-T134 PolarHBondContact O-N 3.21Å; N132-W135 PolarHBondContact O-N 3.19Å; N132-S136 WeakPolarHBondContact O-CB 3.29Å; N132-S136 PolarHBondContact O-N 2.93Å; N132-S136 PolarHBondContact O-OG 3.4Å; N132-S136 VanDerWaalsContact O-OG 3.1Å; N132-F157 HydrophobicContact CB-CE1 4.25Å; N132-F157 HydrophobicContact CB-CE2 3.62Å; N132-F157 HydrophobicContact CB-CZ 3.33Å
133	L	96.1	Very high	92.9	Very high	25 Å²	25	48.5 Å²	48.5	13%	0.131	23%	0.231	C	C	.	.	H	α-helix	trans	-62.1	-42.1	177.1	-73.5	169.6	0	0	0	111.8	A129 S136 S137 F148 D153 I154 F157	A129-L133 WeakPolarHBondContact O-CB 3.38Å; A129-L133 VanDerWaalsContact O-CG 3.28Å; A129-L133 WeakPolarHBondContact O-CG 3.41Å; A129-L133 PolarHBondContact O-N 2.97Å; L133-S136 PolarHBondContact O-N 2.74Å; L133-S137 WeakPolarHBondContact O-CB 3.22Å; L133-S137 PolarHBondContact O-N 2.85Å; L133-F148 HydrophobicContact CB-CD1 3.85Å; L133-F148 HydrophobicContact CB-CD2 4.12Å; L133-F148 HydrophobicContact CB-CE1 3.73Å; L133-F148 HydrophobicContact CB-CE2 4.02Å; L133-F148 HydrophobicContact CB-CG 4.05Å; L133-F148 HydrophobicContact CB-CZ 3.83Å; L133-F148 HydrophobicContact CD1-CB 4.26Å; L133-F148 HydrophobicContact CD1-CD1 4.25Å; L133-F148 HydrophobicContact CD1-CG 4.14Å; L133-F148 HydrophobicContact CG-CD1 4.46Å; L133-F148 WeakPolarHBondContact O-CZ 3.4Å; L133-D153 HydrophobicContact CD1-CB 4.1Å; L133-I154 HydrophobicContact CD1-CG1 4.21Å; L133-F157 HydrophobicContact CD1-CB 4.34Å; L133-F157 HydrophobicContact CD2-CB 4.44Å; L133-F157 HydrophobicContact CD2-CD2 3.91Å; L133-F157 HydrophobicContact CD2-CG 4.47Å; L133-F157 HydrophobicContact CG-CB 4.49Å; L133-F157 HydrophobicContact CG-CD2 4.01Å; L133-F157 HydrophobicContact CG-CG 4.32Å
134	T	95.3	Very high	92.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.1	-46.6	175.4	-56.7	0	0	0	0	110.8	L130 A131 N132 S137 R138 F148 L218	L130-T134 VanDerWaalsContact O-CB 3.23Å; L130-T134 WeakPolarHBondContact O-CB 3.33Å; L130-T134 PolarHBondContact O-N 3.48Å; L130-T134 PolarHBondContact O-OG1 2.67Å; A131-T134 PolarHBondContact O-N 3.3Å; N132-T134 VanDerWaalsContact C-N 3.34Å; N132-T134 PolarHBondContact O-N 3.21Å; T134-S137 PolarHBondContact O-N 2.88Å; T134-R138 VanDerWaalsContact O-CG 3.3Å; T134-R138 WeakPolarHBondContact O-CG 3.47Å; T134-R138 PolarHBondContact O-N 2.96Å; T134-F148 WeakPolarHBondContact OG1-CE2 3.49Å; T134-L218 HydrophobicContact CG2-CD1 4.43Å; T134-L218 HydrophobicContact CG2-CD2 4.42Å
135	W	94.1	Very high	92.6	Very high	65 Å²	65	51.4 Å²	51.4	25%	0.246	25%	0.25	C	S	.	.	H	α-helix	trans	-61.4	-48.1	176.9	176.6	-103.2	0	0	0	112.4	Q67 F96 A131 N132 S137 R138 T139 L218	Q67-W135 VanDerWaalsContact C-CZ2 3.45Å; Q67-W135 HydrophobicContact CB-CD2 4.38Å; Q67-W135 HydrophobicContact CB-CE3 3.8Å; Q67-W135 HydrophobicContact CB-CH2 3.47Å; Q67-W135 VanDerWaalsContact CB-CH2 3.47Å; Q67-W135 HydrophobicContact CB-CZ2 4.09Å; Q67-W135 HydrophobicContact CB-CZ3 3.32Å; Q67-W135 HydrophobicContact CG-CZ3 4.29Å; Q67-W135 WeakPolarHBondContact O-CH2 2.99Å; Q67-W135 WeakPolarHBondContact O-CZ2 3.27Å; F96-W135 HydrophobicContact CE2-CB 3.59Å; F96-W135 HydrophobicContact CE2-CD2 4.42Å; F96-W135 AromaticContact CE2-CG 3.78Å; F96-W135 HydrophobicContact CE2-CG 3.78Å; F96-W135 HydrophobicContact CZ-CB 3.85Å; F96-W135 HydrophobicContact CZ-CD2 4.02Å; F96-W135 HydrophobicContact CZ-CE3 4.22Å; F96-W135 AromaticContact CZ-CG 3.85Å; F96-W135 HydrophobicContact CZ-CG 3.85Å; A131-W135 WeakPolarHBondContact O-CB 3.48Å; A131-W135 PolarHBondContact O-N 3.39Å; N132-W135 PolarHBondContact O-N 3.19Å; W135-S137 PolarHBondContact O-N 2.98Å; W135-R138 PolarHBondContact O-N 3.24Å; W135-T139 HydrophobicContact CD2-CG2 4.15Å; W135-T139 HydrophobicContact CH2-CG2 4.13Å; W135-T139 HydrophobicContact CZ2-CG2 3.71Å; W135-T139 HydrophobicContact CZ3-CG2 4.49Å; W135-T139 WeakPolarHBondContact O-CG2 3.46Å; W135-T139 PolarHBondContact O-N 3.41Å; W135-T139 VanDerWaalsContact O-N 3.09Å; W135-T139 PolarHBondContact O-OG1 2.84Å; W135-L218 HydrophobicContact CB-CD1 3.82Å; W135-L218 HydrophobicContact CE3-CD1 4.16Å
136	S	93.4	Very high	92.4	Very high	41 Å²	41	54 Å²	54	29%	0.287	27%	0.267	S	S	.	.	H	α-helix	trans	-61.2	-42.9	178.2	-64.7	0	0	0	0	111.8	N132 L133 T139 Q140	N132-S136 WeakPolarHBondContact O-CB 3.29Å; N132-S136 PolarHBondContact O-N 2.93Å; N132-S136 PolarHBondContact O-OG 3.4Å; N132-S136 VanDerWaalsContact O-OG 3.1Å; L133-S136 PolarHBondContact O-N 2.74Å; S136-T139 PolarHBondContact O-N 2.8Å; S136-T139 PolarHBondContact O-OG1 2.95Å; S136-Q140 VanDerWaalsContact O-CB 3.26Å; S136-Q140 WeakPolarHBondContact O-CB 3.21Å; S136-Q140 WeakPolarHBondContact O-CG 3.3Å; S136-Q140 PolarHBondContact O-N 3.5Å
137	S	93.9	Very high	92.4	Very high	4 Å²	4	56.1 Å²	56.1	3%	0.028	28%	0.277	C	S	.	.	H	α-helix	trans	-65.8	-39	177.8	-178.3	0	0	0	0	112.2	L133 T134 W135 T139 E141 P144 K145	L133-S137 WeakPolarHBondContact O-CB 3.22Å; L133-S137 PolarHBondContact O-N 2.85Å; T134-S137 PolarHBondContact O-N 2.88Å; W135-S137 PolarHBondContact O-N 2.98Å; S137-T139 VanDerWaalsContact C-N 3.29Å; S137-T139 PolarHBondContact O-N 2.9Å; S137-E141 WeakPolarHBondContact O-CB 3.48Å; S137-E141 PolarHBondContact O-N 3.44Å; S137-E141 VanDerWaalsContact O-N 3.1Å; S137-E141 PolarHBondContact OG-OE2 2.79Å; S137-P144 WeakPolarHBondContact OG-CA 3.4Å; S137-K145 PolarHBondContact OG-N 2.84Å
138	R	92.7	Very high	92.4	Very high	87 Å²	87	55 Å²	55	33%	0.328	27%	0.271	S	S	.	.	H	α-helix	trans	-63.9	-31.2	174.8	-73.7	175.8	-174.2	-177.2	4.9	114.1	T134 W135 P144 Q216	T134-R138 VanDerWaalsContact O-CG 3.3Å; T134-R138 WeakPolarHBondContact O-CG 3.47Å; T134-R138 PolarHBondContact O-N 2.96Å; W135-R138 PolarHBondContact O-N 3.24Å; R138-P144 HydrophobicContact CG-CB 4.05Å; R138-Q216 VanDerWaalsContact CZ-O 3.3Å; R138-Q216 PolarHBondContact NH1-O 2.87Å; R138-Q216 PolarHBondContact NH2-O 3.03Å
139	T	89.3	Confident	92.4	Very high	76 Å²	76	55.1 Å²	55.1	47%	0.466	27%	0.272	S	S	.	.	H	α-helix	trans	-97.4	-24.2	-173.8	50.2	0	0	0	0	113.6	W135 S136 S137	W135-T139 HydrophobicContact CD2-CG2 4.15Å; W135-T139 HydrophobicContact CH2-CG2 4.13Å; W135-T139 HydrophobicContact CZ2-CG2 3.71Å; W135-T139 HydrophobicContact CZ3-CG2 4.49Å; W135-T139 WeakPolarHBondContact O-CG2 3.46Å; W135-T139 PolarHBondContact O-N 3.41Å; W135-T139 VanDerWaalsContact O-N 3.09Å; W135-T139 PolarHBondContact O-OG1 2.84Å; S136-T139 PolarHBondContact O-N 2.8Å; S136-T139 PolarHBondContact O-OG1 2.95Å; S137-T139 VanDerWaalsContact C-N 3.29Å; S137-T139 PolarHBondContact O-N 2.9Å
140	Q	88.4	Confident	92.3	Very high	159 Å²	159	56.7 Å²	56.7	74%	0.743	28%	0.279	S	S	*	.	H	α-helix	trans	-117.6	-18.1	-171.4	-57.9	179.6	5.5	0	0	114.3	S136	S136-Q140 VanDerWaalsContact O-CB 3.26Å; S136-Q140 WeakPolarHBondContact O-CB 3.21Å; S136-Q140 WeakPolarHBondContact O-CG 3.3Å; S136-Q140 PolarHBondContact O-N 3.5Å
141	E	89.9	Confident	92.1	Very high	74 Å²	74	60.3 Å²	60.3	35%	0.346	30%	0.298	S	S	.	.			trans	-106.9	140.3	-178.9	-59.1	-176.6	158	0	0	111.4	S137 H143 K145	S137-E141 WeakPolarHBondContact O-CB 3.48Å; S137-E141 PolarHBondContact O-N 3.44Å; S137-E141 VanDerWaalsContact O-N 3.1Å; S137-E141 PolarHBondContact OG-OE2 2.79Å; E141-H143 PolarHBondContact O-N 3.21Å; E141-K145 IonicContact OE1-NZ 2.71Å; E141-K145 PolarHBondContact OE1-NZ 3.14Å; E141-K145 WeakPolarHBondContact OE2-CD 3.32Å; E141-K145 WeakPolarHBondContact OE2-CE 3.41Å; E141-K145 IonicContact OE2-NZ 3.75Å; E141-K145 PolarHBondContact OE2-NZ 2.93Å
142	E	83.9	Confident	92	Very high	178 Å²	178	65.2 Å²	65.2	83%	0.832	32%	0.32	S	S	*	.	S	Bend	trans	-65.1	-25.9	175.2	-170.3	177.7	-176.5	0	0	112.3
143	H	86.1	Confident	92	Very high	151 Å²	151	67.1 Å²	67.1	70%	0.699	33%	0.33	S	S	*	.	S	Bend	trans	-126.1	90.7	176.8	-64.9	-32.3	0	0	0	110.3	E141 K145	E141-H143 PolarHBondContact O-N 3.21Å; H143-K145 PolarHBondContact O-N 3.19Å
144	P	88.6	Confident	92	Very high	70 Å²	70	65.9 Å²	65.9	46%	0.455	32%	0.323	S	S	.	.			trans	-61.5	129.8	-175.7	-26.6	35.9	0	0	0	113.2	S137 R138	S137-P144 WeakPolarHBondContact OG-CA 3.4Å; R138-P144 HydrophobicContact CG-CB 4.05Å
145	K	90.4	Very high	91.9	Very high	96 Å²	96	67.4 Å²	67.4	42%	0.417	33%	0.331	S	S	.	.			trans	-85.5	142.6	173.3	-61.3	166.4	-169.9	149.5	0	110	S137 E141 H143 F148	S137-K145 PolarHBondContact OG-N 2.84Å; E141-K145 IonicContact OE1-NZ 2.71Å; E141-K145 PolarHBondContact OE1-NZ 3.14Å; E141-K145 WeakPolarHBondContact OE2-CD 3.32Å; E141-K145 WeakPolarHBondContact OE2-CE 3.41Å; E141-K145 IonicContact OE2-NZ 3.75Å; E141-K145 PolarHBondContact OE2-NZ 2.93Å; H143-K145 PolarHBondContact O-N 3.19Å; K145-F148 HydrophobicContact CB-CE1 4.09Å; K145-F148 HydrophobicContact CB-CZ 4.14Å
146	T	89.8	Confident	91.9	Very high	68 Å²	68	67.3 Å²	67.3	42%	0.417	34%	0.339	S	S	.	.	S	Bend	trans	-111.9	-6.7	173.1	55.8	0	0	0	0	112.8	G212	T146-G212 WeakPolarHBondContact O-CA 3.34Å
147	M	93.4	Very high	92	Very high	43 Å²	43	66.5 Å²	66.5	21%	0.212	33%	0.33	C	S	.	.			trans	-134.4	132.1	-176	-63.2	-69.2	-69.9	0	0	109.3	L192 K194 K210 F211	M147-L192 HydrophobicContact CE-CB 4.26Å; M147-L192 HydrophobicContact SD-CB 3.89Å; M147-L192 HydrophobicContact SD-CD1 4.36Å; M147-K194 HydrophobicContact CE-CB 3.69Å; M147-K210 HydrophobicContact CB-CB 4.21Å; M147-K210 HydrophobicContact CE-CB 4.29Å; M147-K210 WeakPolarHBondContact CE-O 3.34Å; M147-F211 CarbonylContact C-O 3.58Å; M147-F211 WeakPolarHBondContact CA-O 3.43Å
148	F	96	Very high	91.9	Very high	7 Å²	7	66.3 Å²	66.3	3%	0.031	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.5	-170.5	-62.2	-82.1	0	0	0	111	L130 L133 T134 K145 D153 I154 K210 F211	L130-F148 HydrophobicContact CD2-CB 4.09Å; L130-F148 HydrophobicContact CD2-CD2 3.84Å; L130-F148 HydrophobicContact CD2-CG 4.35Å; L133-F148 HydrophobicContact CB-CD1 3.85Å; L133-F148 HydrophobicContact CB-CD2 4.12Å; L133-F148 HydrophobicContact CB-CE1 3.73Å; L133-F148 HydrophobicContact CB-CE2 4.02Å; L133-F148 HydrophobicContact CB-CG 4.05Å; L133-F148 HydrophobicContact CB-CZ 3.83Å; L133-F148 HydrophobicContact CD1-CB 4.26Å; L133-F148 HydrophobicContact CD1-CD1 4.25Å; L133-F148 HydrophobicContact CD1-CG 4.14Å; L133-F148 HydrophobicContact CG-CD1 4.46Å; L133-F148 WeakPolarHBondContact O-CZ 3.4Å; T134-F148 WeakPolarHBondContact OG1-CE2 3.49Å; K145-F148 HydrophobicContact CB-CE1 4.09Å; K145-F148 HydrophobicContact CB-CZ 4.14Å; F148-D153 HydrophobicContact CB-CB 3.89Å; F148-D153 HydrophobicContact CD1-CB 4.26Å; F148-I154 HydrophobicContact CB-CD1 4.49Å; F148-I154 HydrophobicContact CB-CG1 4.19Å; F148-K210 CarbonylContact O-C 3.56Å; F148-K210 WeakPolarHBondContact O-CA 3.17Å; F148-F211 PolarHBondContact N-O 2.86Å; F148-F211 PolarHBondContact O-N 3.07Å
149	S	95.6	Very high	91.7	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.014	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	135.1	178.2	-179.6	0	0	0	0	111.1	D151 K152 D153 I154 D207	S149-D151 VanDerWaalsContact C-N 3.33Å; S149-D151 PolarHBondContact O-N 3.46Å; S149-D151 PolarHBondContact OG-N 2.8Å; S149-K152 PolarHBondContact OG-N 3.18Å; S149-D153 WeakPolarHBondContact CB-OD2 3.13Å; S149-D153 PolarHBondContact N-OD2 2.91Å; S149-D153 WeakPolarHBondContact O-CB 3.28Å; S149-D153 PolarHBondContact O-N 2.97Å; S149-I154 PolarHBondContact O-N 3.35Å; S149-D207 VanDerWaalsContact CB-O 3.22Å; S149-D207 WeakPolarHBondContact CB-O 3.38Å; S149-D207 PolarHBondContact OG-O 2.82Å
150	K	93.9	Very high	91.8	Very high	33 Å²	33	67.9 Å²	67.9	14%	0.143	33%	0.334	C	S	.	.	I	π-helix	trans	-55.2	-49.5	173.8	-169.7	-154.5	60.6	153.4	0	111.8	I155 L180 V181 P209 F211	K150-I155 HydrophobicContact CD-CD1 4.47Å; K150-I155 HydrophobicContact CG-CD1 4.22Å; K150-I155 WeakPolarHBondContact O-CB 3.09Å; K150-I155 WeakPolarHBondContact O-CD1 3.32Å; K150-I155 VanDerWaalsContact O-CG1 3.25Å; K150-I155 WeakPolarHBondContact O-CG1 3.39Å; K150-I155 PolarHBondContact O-N 2.9Å; K150-L180 HydrophobicContact CD-CB 4.43Å; K150-L180 HydrophobicContact CD-CD1 4.43Å; K150-L180 HydrophobicContact CG-CB 4.34Å; K150-L180 HydrophobicContact CG-CD1 3.87Å; K150-V181 HydrophobicContact CD-CG2 3.64Å; K150-P209 HydrophobicContact CB-CG 4.3Å; K150-P209 HydrophobicContact CD-CG 4.43Å; K150-P209 PolarHBondContact N-O 2.98Å; K150-F211 HydrophobicContact CB-CD2 4.22Å; K150-F211 HydrophobicContact CB-CE2 3.88Å; K150-F211 HydrophobicContact CG-CE2 4.18Å
151	D	91.8	Very high	91.9	Very high	76 Å²	76	63.8 Å²	63.8	41%	0.406	31%	0.312	S	S	.	.	I	π-helix	trans	-85.8	-35.8	-171.4	-66.1	-56.5	0	0	0	112.8	S149 I155 P156	S149-D151 VanDerWaalsContact C-N 3.33Å; S149-D151 PolarHBondContact O-N 3.46Å; S149-D151 PolarHBondContact OG-N 2.8Å; D151-I155 WeakPolarHBondContact OD1-CD1 3.44Å; D151-P156 WeakPolarHBondContact O-CD 3.48Å
152	K	94.1	Very high	91.7	Very high	104 Å²	104	61.2 Å²	61.2	45%	0.452	30%	0.299	S	S	.	.	I	π-helix	trans	-88.9	-26.9	-176.9	-61.4	-176.5	179	177	0	114.3	S149 P156 E206 D207	S149-K152 PolarHBondContact OG-N 3.18Å; K152-P156 WeakPolarHBondContact O-CG 3.43Å; K152-E206 IonicContact NZ-OE1 2.8Å; K152-E206 PolarHBondContact NZ-OE1 3.28Å; K152-D207 WeakPolarHBondContact CD-OD1 3.42Å; K152-D207 VanDerWaalsContact CE-OD1 3.23Å; K152-D207 WeakPolarHBondContact CE-OD1 3.4Å; K152-D207 IonicContact NZ-OD1 3.84Å; K152-D207 PolarHBondContact NZ-OD1 2.82Å
153	D	95.4	Very high	91.7	Very high	50 Å²	50	60.1 Å²	60.1	27%	0.267	29%	0.294	S	S	.	.	I	π-helix	trans	-118.4	-57.3	-173	-54.3	-50.4	0	0	0	112.7	L133 F148 S149 F157	L133-D153 HydrophobicContact CD1-CB 4.1Å; F148-D153 HydrophobicContact CB-CB 3.89Å; F148-D153 HydrophobicContact CD1-CB 4.26Å; S149-D153 WeakPolarHBondContact CB-OD2 3.13Å; S149-D153 PolarHBondContact N-OD2 2.91Å; S149-D153 WeakPolarHBondContact O-CB 3.28Å; S149-D153 PolarHBondContact O-N 2.97Å; D153-F157 WeakPolarHBondContact O-CB 3.35Å; D153-F157 PolarHBondContact O-N 2.9Å
154	I	95.2	Very high	91.5	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.268	C	S	.	.	I	π-helix	trans	-71.6	-46.8	-168.8	-58.7	171.9	0	0	0	111.6	L130 L133 F148 S149 F157 I158 L180 M184 F211	L130-I154 HydrophobicContact CD2-CD1 3.75Å; L130-I154 HydrophobicContact CD2-CG1 4.02Å; L130-I154 HydrophobicContact CG-CD1 4.43Å; L133-I154 HydrophobicContact CD1-CG1 4.21Å; F148-I154 HydrophobicContact CB-CD1 4.49Å; F148-I154 HydrophobicContact CB-CG1 4.19Å; S149-I154 PolarHBondContact O-N 3.35Å; I154-F157 PolarHBondContact O-N 2.93Å; I154-I158 HydrophobicContact CG2-CD1 3.9Å; I154-I158 WeakPolarHBondContact O-CG1 3.48Å; I154-I158 PolarHBondContact O-N 3.19Å; I154-L180 HydrophobicContact CG2-CD1 4.48Å; I154-M184 HydrophobicContact CD1-CE 4.19Å; I154-M184 HydrophobicContact CD1-SD 4.5Å; I154-F211 HydrophobicContact CD1-CB 3.78Å; I154-F211 HydrophobicContact CD1-CD2 3.87Å; I154-F211 HydrophobicContact CD1-CG 4.17Å
155	I	93.4	Very high	91	Very high	32 Å²	32	50.8 Å²	50.8	16%	0.164	25%	0.247	C	C	.	.	H	α-helix	trans	-61.9	-50.9	179.4	-73.5	163.8	0	0	0	111.2	K150 D151 F157 I158 D159 W176 P177 L180	K150-I155 HydrophobicContact CD-CD1 4.47Å; K150-I155 HydrophobicContact CG-CD1 4.22Å; K150-I155 WeakPolarHBondContact O-CB 3.09Å; K150-I155 WeakPolarHBondContact O-CD1 3.32Å; K150-I155 VanDerWaalsContact O-CG1 3.25Å; K150-I155 WeakPolarHBondContact O-CG1 3.39Å; K150-I155 PolarHBondContact O-N 2.9Å; D151-I155 WeakPolarHBondContact OD1-CD1 3.44Å; I155-F157 VanDerWaalsContact C-N 3.31Å; I155-F157 PolarHBondContact O-N 3.02Å; I155-I158 PolarHBondContact O-N 3.45Å; I155-D159 WeakPolarHBondContact O-CB 3.3Å; I155-D159 PolarHBondContact O-N 2.86Å; I155-W176 HydrophobicContact CB-CH2 4.2Å; I155-W176 HydrophobicContact CG1-CH2 4.05Å; I155-W176 HydrophobicContact CG1-CZ3 4.18Å; I155-W176 HydrophobicContact CG2-CH2 4.08Å; I155-W176 HydrophobicContact CG2-CZ2 4.42Å; I155-P177 HydrophobicContact CD1-CB 3.74Å; I155-P177 HydrophobicContact CD1-CG 4.5Å; I155-P177 HydrophobicContact CG1-CB 4.17Å; I155-L180 HydrophobicContact CD1-CD1 4.02Å; I155-L180 HydrophobicContact CG1-CD1 3.51Å
156	P	94.6	Very high	90.2	Very high	63 Å²	63	46.6 Å²	46.6	41%	0.409	23%	0.229	S	C	.	.	H	α-helix	trans	-59.4	-38.1	176.5	-28.6	38.3	0	0	0	113.8	D151 K152 D159 K160	D151-P156 WeakPolarHBondContact O-CD 3.48Å; K152-P156 WeakPolarHBondContact O-CG 3.43Å; P156-D159 PolarHBondContact O-N 2.78Å; P156-K160 VanDerWaalsContact O-CB 3.28Å; P156-K160 WeakPolarHBondContact O-CB 3.4Å; P156-K160 PolarHBondContact O-N 2.83Å
157	F	94.7	Very high	89.1	Confident	23 Å²	23	47.5 Å²	47.5	10%	0.101	24%	0.235	C	C	.	.	H	α-helix	trans	-62.1	-51.8	177.1	-175	-80.8	0	0	0	111.6	L94 A129 N132 L133 D153 I154 I155 D159 K160 Y161 M165	L94-F157 HydrophobicContact CD1-CE1 4.37Å; A129-F157 HydrophobicContact CB-CD1 3.57Å; A129-F157 HydrophobicContact CB-CE1 4.05Å; A129-F157 HydrophobicContact CB-CG 4.34Å; N132-F157 HydrophobicContact CB-CE1 4.25Å; N132-F157 HydrophobicContact CB-CE2 3.62Å; N132-F157 HydrophobicContact CB-CZ 3.33Å; L133-F157 HydrophobicContact CD1-CB 4.34Å; L133-F157 HydrophobicContact CD2-CB 4.44Å; L133-F157 HydrophobicContact CD2-CD2 3.91Å; L133-F157 HydrophobicContact CD2-CG 4.47Å; L133-F157 HydrophobicContact CG-CB 4.49Å; L133-F157 HydrophobicContact CG-CD2 4.01Å; L133-F157 HydrophobicContact CG-CG 4.32Å; D153-F157 WeakPolarHBondContact O-CB 3.35Å; D153-F157 PolarHBondContact O-N 2.9Å; I154-F157 PolarHBondContact O-N 2.93Å; I155-F157 VanDerWaalsContact C-N 3.31Å; I155-F157 PolarHBondContact O-N 3.02Å; F157-D159 VanDerWaalsContact C-N 3.28Å; F157-D159 PolarHBondContact O-N 3.09Å; F157-K160 PolarHBondContact O-N 3.31Å; F157-Y161 HydrophobicContact CD1-CD2 4.04Å; F157-Y161 HydrophobicContact CD2-CD2 4.04Å; F157-Y161 AromaticContact CD2-CE2 3.91Å; F157-Y161 HydrophobicContact CD2-CE2 3.91Å; F157-Y161 AromaticContact CE1-CD2 3.72Å; F157-Y161 HydrophobicContact CE1-CD2 3.72Å; F157-Y161 HydrophobicContact CE1-CE2 4.34Å; F157-Y161 AromaticContact CE2-CD2 3.74Å; F157-Y161 HydrophobicContact CE2-CD2 3.74Å; F157-Y161 AromaticContact CE2-CE2 3.51Å; F157-Y161 HydrophobicContact CE2-CE2 3.51Å; F157-Y161 HydrophobicContact CG-CD2 4.17Å; F157-Y161 HydrophobicContact CG-CE2 4.48Å; F157-Y161 AromaticContact CZ-CD2 3.55Å; F157-Y161 HydrophobicContact CZ-CD2 3.55Å; F157-Y161 AromaticContact CZ-CE2 3.73Å; F157-Y161 HydrophobicContact CZ-CE2 3.73Å; F157-Y161 WeakPolarHBondContact O-CD2 3.41Å; F157-Y161 PolarHBondContact O-N 3.06Å; F157-M165 HydrophobicContact CD1-CE 4.45Å; F157-M165 HydrophobicContact CE1-CE 4.22Å
158	I	91.8	Very high	87.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.1	-36.8	-179.7	-69.5	171.8	0	0	0	110.8	M125 A129 I154 I155 Y161 W162 M165 W176 L180	M125-I158 HydrophobicContact CE-CG2 3.56Å; A129-I158 HydrophobicContact CB-CD1 4.15Å; A129-I158 HydrophobicContact CB-CG1 3.81Å; I154-I158 HydrophobicContact CG2-CD1 3.9Å; I154-I158 WeakPolarHBondContact O-CG1 3.48Å; I154-I158 PolarHBondContact O-N 3.19Å; I155-I158 PolarHBondContact O-N 3.45Å; I158-Y161 CarbonylContact O-C 3.59Å; I158-W162 HydrophobicContact CG2-CE3 4.08Å; I158-W162 HydrophobicContact CG2-CZ3 4.25Å; I158-W162 VanDerWaalsContact O-CA 3.26Å; I158-W162 WeakPolarHBondContact O-CA 3.3Å; I158-W162 PolarHBondContact O-N 3.18Å; I158-M165 HydrophobicContact CG1-CE 3.94Å; I158-W176 HydrophobicContact CB-CH2 3.56Å; I158-W176 HydrophobicContact CB-CZ2 4.26Å; I158-W176 HydrophobicContact CB-CZ3 3.97Å; I158-W176 HydrophobicContact CD1-CH2 4.24Å; I158-W176 HydrophobicContact CD1-CZ3 3.77Å; I158-W176 HydrophobicContact CG1-CH2 4.48Å; I158-W176 HydrophobicContact CG1-CZ3 4.47Å; I158-W176 HydrophobicContact CG2-CE3 4.34Å; I158-W176 HydrophobicContact CG2-CH2 3.43Å; I158-W176 VanDerWaalsContact CG2-CH2 3.43Å; I158-W176 HydrophobicContact CG2-CZ2 3.77Å; I158-W176 HydrophobicContact CG2-CZ3 3.74Å; I158-L180 HydrophobicContact CD1-CD2 4.4Å
159	D	88.9	Confident	86.5	Confident	47 Å²	47	59.7 Å²	59.7	25%	0.251	29%	0.285	S	S	.	.	H	α-helix	trans	-67.6	-41.9	177.8	-164.1	67.1	0	0	0	112.1	I155 P156 F157 R170 L174	I155-D159 WeakPolarHBondContact O-CB 3.3Å; I155-D159 PolarHBondContact O-N 2.86Å; P156-D159 PolarHBondContact O-N 2.78Å; F157-D159 VanDerWaalsContact C-N 3.28Å; F157-D159 PolarHBondContact O-N 3.09Å; D159-R170 IonicContact OD1-CZ 2.79Å; D159-R170 IonicContact OD1-NE 3.78Å; D159-R170 IonicContact OD1-NH2 2.64Å; D159-R170 PolarHBondContact OD1-NH2 3.33Å; D159-R170 IonicContact OD2-CZ 3.26Å; D159-R170 IonicContact OD2-NH2 2.85Å; D159-R170 PolarHBondContact OD2-NH2 2.88Å; D159-L174 WeakPolarHBondContact OD1-CD1 3.49Å
160	K	91.4	Very high	85.5	Confident	150 Å²	150	66.2 Å²	66.2	65%	0.652	31%	0.309	S	S	*	.	H	α-helix	trans	-62.2	-43.1	176.6	-179	-179.6	178.2	-169.9	0	112.1	P156 F157	P156-K160 VanDerWaalsContact O-CB 3.28Å; P156-K160 WeakPolarHBondContact O-CB 3.4Å; P156-K160 PolarHBondContact O-N 2.83Å; F157-K160 PolarHBondContact O-N 3.31Å
161	Y	89.9	Confident	84.2	Confident	72 Å²	72	67.5 Å²	67.5	28%	0.282	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	26.3	-176.2	-58.8	-70.6	0	0	0	113.5	L94 F157 I158 E163 C164 M165	L94-Y161 HydrophobicContact CD1-CG 4.27Å; L94-Y161 HydrophobicContact CD2-CD1 3.84Å; L94-Y161 HydrophobicContact CD2-CD2 4.45Å; L94-Y161 HydrophobicContact CD2-CE1 4.22Å; L94-Y161 HydrophobicContact CD2-CG 3.97Å; F157-Y161 HydrophobicContact CD1-CD2 4.04Å; F157-Y161 HydrophobicContact CD2-CD2 4.04Å; F157-Y161 AromaticContact CD2-CE2 3.91Å; F157-Y161 HydrophobicContact CD2-CE2 3.91Å; F157-Y161 AromaticContact CE1-CD2 3.72Å; F157-Y161 HydrophobicContact CE1-CD2 3.72Å; F157-Y161 HydrophobicContact CE1-CE2 4.34Å; F157-Y161 AromaticContact CE2-CD2 3.74Å; F157-Y161 HydrophobicContact CE2-CD2 3.74Å; F157-Y161 AromaticContact CE2-CE2 3.51Å; F157-Y161 HydrophobicContact CE2-CE2 3.51Å; F157-Y161 HydrophobicContact CG-CD2 4.17Å; F157-Y161 HydrophobicContact CG-CE2 4.48Å; F157-Y161 AromaticContact CZ-CD2 3.55Å; F157-Y161 HydrophobicContact CZ-CD2 3.55Å; F157-Y161 AromaticContact CZ-CE2 3.73Å; F157-Y161 HydrophobicContact CZ-CE2 3.73Å; F157-Y161 WeakPolarHBondContact O-CD2 3.41Å; F157-Y161 PolarHBondContact O-N 3.06Å; I158-Y161 CarbonylContact O-C 3.59Å; Y161-E163 VanDerWaalsContact C-N 3.26Å; Y161-E163 PolarHBondContact O-N 3.33Å; Y161-E163 VanDerWaalsContact O-N 3.17Å; Y161-C164 PolarHBondContact O-N 2.67Å; Y161-M165 WeakPolarHBondContact O-CG 3.29Å; Y161-M165 PolarHBondContact O-N 3.47Å
162	W	86.1	Confident	82.9	Confident	20 Å²	20	68.1 Å²	68.1	8%	0.076	35%	0.345	C	S	.	.	H	α-helix	trans	-50.8	-45.2	-175	-178.2	-90.5	0	0	0	113	M125 I158 C164 M165 T166 R168 W176	M125-W162 HydrophobicContact CE-CE3 4.24Å; M125-W162 HydrophobicContact CE-CZ3 3.97Å; I158-W162 HydrophobicContact CG2-CE3 4.08Å; I158-W162 HydrophobicContact CG2-CZ3 4.25Å; I158-W162 VanDerWaalsContact O-CA 3.26Å; I158-W162 WeakPolarHBondContact O-CA 3.3Å; I158-W162 PolarHBondContact O-N 3.18Å; W162-C164 VanDerWaalsContact C-N 3.3Å; W162-C164 PolarHBondContact O-N 2.94Å; W162-M165 PolarHBondContact O-N 3.09Å; W162-T166 HydrophobicContact CD2-CG2 4.13Å; W162-T166 HydrophobicContact CH2-CG2 4.46Å; W162-T166 HydrophobicContact CZ2-CG2 3.81Å; W162-T166 PolarHBondContact O-N 2.79Å; W162-R168 PolarHBondContact NE1-O 3.01Å; W162-W176 AromaticContact CH2-CD1 3.58Å; W162-W176 HydrophobicContact CH2-CG 4.25Å; W162-W176 AromaticContact CH2-NE1 3.79Å; W162-W176 AromaticContact CZ3-CD1 3.48Å; W162-W176 VanDerWaalsContact CZ3-CD1 3.48Å; W162-W176 HydrophobicContact CZ3-CD2 4.13Å; W162-W176 AromaticContact CZ3-CE2 3.68Å; W162-W176 HydrophobicContact CZ3-CG 4.05Å; W162-W176 HydrophobicContact CZ3-CZ2 4.31Å; W162-W176 AromaticContact CZ3-NE1 3.24Å
163	E	83.9	Confident	81.7	Confident	156 Å²	156	71.8 Å²	71.8	73%	0.729	36%	0.361	S	S	*	.	H	α-helix	trans	-71.2	-23.6	-177.3	-60.7	179.3	177.3	0	0	113.2	R117 Y161	R117-E163 PolarHBondContact NH1-O 2.77Å; Y161-E163 VanDerWaalsContact C-N 3.26Å; Y161-E163 PolarHBondContact O-N 3.33Å; Y161-E163 VanDerWaalsContact O-N 3.17Å
164	C	83.4	Confident	80.5	Confident	21 Å²	21	72.4 Å²	72.4	14%	0.142	36%	0.364	C	S	.	.	H	α-helix	trans	-82.1	-32.4	172.6	-54.1	0	0	0	0	111.6	T92 L94 R117 Y161 W162	T92-C164 WeakPolarHBondContact O-CA 3.45Å; L94-C164 HydrophobicContact CD1-CB 3.92Å; L94-C164 HydrophobicContact CD2-CB 4.45Å; L94-C164 HydrophobicContact CG-CB 3.73Å; R117-C164 PolarHBondContact NH1-O 3.16Å; Y161-C164 PolarHBondContact O-N 2.67Å; W162-C164 VanDerWaalsContact C-N 3.3Å; W162-C164 PolarHBondContact O-N 2.94Å
165	M	78.1	Confident	79.7	Confident	3 Å²	3	76.9 Å²	76.9	2%	0.015	39%	0.391	C	S	.	.	H	α-helix	trans	-81.5	-32.2	-175.5	-66.5	-71.3	-110.3	0	0	113.1	L94 A120 M125 T128 A129 F157 I158 Y161 W162	L94-M165 HydrophobicContact CD1-CG 3.98Å; L94-M165 HydrophobicContact CD1-SD 3.56Å; L94-M165 VanDerWaalsContact CD1-SD 3.56Å; A120-M165 WeakPolarHBondContact CB-O 3.34Å; M125-M165 HydrophobicContact CB-CE 4.19Å; M125-M165 HydrophobicContact CE-CB 3.85Å; M125-M165 HydrophobicContact CG-CB 4.36Å; M125-M165 WeakPolarHBondContact O-CE 3.38Å; T128-M165 HydrophobicContact CG2-CE 4.2Å; T128-M165 HydrophobicContact CG2-SD 3.74Å; A129-M165 HydrophobicContact CB-CE 3.95Å; F157-M165 HydrophobicContact CD1-CE 4.45Å; F157-M165 HydrophobicContact CE1-CE 4.22Å; I158-M165 HydrophobicContact CG1-CE 3.94Å; Y161-M165 WeakPolarHBondContact O-CG 3.29Å; Y161-M165 PolarHBondContact O-N 3.47Å; W162-M165 PolarHBondContact O-N 3.09Å
166	T	72.2	Confident	79.2	Confident	8 Å²	8	76.4 Å²	76.4	5%	0.049	39%	0.387	C	S	.	.			trans	-147.1	148.9	-177.6	-166.3	0	0	0	0	112.8	W162 R168	W162-T166 HydrophobicContact CD2-CG2 4.13Å; W162-T166 HydrophobicContact CH2-CG2 4.46Å; W162-T166 HydrophobicContact CZ2-CG2 3.81Å; W162-T166 PolarHBondContact O-N 2.79Å; T166-R168 VanDerWaalsContact C-N 3.26Å; T166-R168 HydrophobicContact CG2-CB 4.08Å; T166-R168 PolarHBondContact OG1-N 3.18Å
167	T	68.3	Low	78.9	Confident	88 Å²	88	74.5 Å²	74.5	54%	0.54	38%	0.375	S	S	.	.	S	Bend	trans	-85.3	2.1	172.4	55.1	0	0	0	0	112.7
168	R	68	Low	78.4	Confident	165 Å²	165	79.6 Å²	79.6	62%	0.623	40%	0.403	S	S	*	.	S	Bend	trans	-75.7	135.4	176.8	-78.6	-175.7	172	176.3	-1	111.6	W162 T166 R170	W162-R168 PolarHBondContact NE1-O 3.01Å; T166-R168 VanDerWaalsContact C-N 3.26Å; T166-R168 HydrophobicContact CG2-CB 4.08Å; T166-R168 PolarHBondContact OG1-N 3.18Å; R168-R170 PolarHBondContact O-N 3.23Å
169	Q	66.2	Low	78.4	Confident	141 Å²	141	83.3 Å²	83.3	66%	0.659	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-55.6	135.4	168	-70.9	-168.2	-1.4	0	0	110.8	P171 S282	Q169-P171 VanDerWaalsContact O-CD 3.24Å; Q169-P171 WeakPolarHBondContact O-CD 3.01Å; Q169-S282 PolarHBondContact NE2-OG 3.18Å
170	R	73.3	Confident	78.5	Confident	139 Å²	139	81 Å²	81	53%	0.525	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-62.7	116.7	-177.8	-168.2	172.2	-175.1	177.8	-1.2	109.8	D159 R168 L174	D159-R170 IonicContact OD1-CZ 2.79Å; D159-R170 IonicContact OD1-NE 3.78Å; D159-R170 IonicContact OD1-NH2 2.64Å; D159-R170 PolarHBondContact OD1-NH2 3.33Å; D159-R170 IonicContact OD2-CZ 3.26Å; D159-R170 IonicContact OD2-NH2 2.85Å; D159-R170 PolarHBondContact OD2-NH2 2.88Å; R168-R170 PolarHBondContact O-N 3.23Å; R170-L174 HydrophobicContact CG-CD2 4.39Å
171	P	66.9	Low	78.5	Confident	60 Å²	60	76.2 Å²	76.2	39%	0.39	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-65.6	142.4	179.1	-19.9	32.6	0	0	0	111	Q169 K173	Q169-P171 VanDerWaalsContact O-CD 3.24Å; Q169-P171 WeakPolarHBondContact O-CD 3.01Å; P171-K173 PolarHBondContact O-N 2.81Å; P171-K173 VanDerWaalsContact O-N 3.16Å
172	G	65.1	Low	78.7	Confident	89 Å²	89	80.3 Å²	80.3	92%	0.918	41%	0.413	S	S	*	.	S	Bend	trans	-62.7	-19.4	175.4	0	0	0	0	0	114.3
173	K	69.5	Low	79	Confident	180 Å²	180	80.8 Å²	80.8	78%	0.783	42%	0.418	S	S	*	.	S	Bend	trans	-128.9	119.2	167.7	-72	-175.8	179.5	179.5	0	109.4	P171 T175	P171-K173 PolarHBondContact O-N 2.81Å; P171-K173 VanDerWaalsContact O-N 3.16Å; K173-T175 PolarHBondContact O-N 2.87Å
174	L	69.6	Low	79.4	Confident	63 Å²	63	73.3 Å²	73.3	33%	0.33	38%	0.383	S	S	.	.			trans	-77.8	104	-179.5	-62.2	168.5	0	0	0	110	D159 R170 W176 P177	D159-L174 WeakPolarHBondContact OD1-CD1 3.49Å; R170-L174 HydrophobicContact CG-CD2 4.39Å; L174-W176 VanDerWaalsContact CD2-NE1 3.31Å; L174-P177 HydrophobicContact CB-CG 4.45Å; L174-P177 WeakPolarHBondContact O-CD 2.95Å
175	T	79.2	Confident	79.9	Confident	94 Å²	94	73.7 Å²	73.7	58%	0.577	39%	0.386	S	S	*	.			trans	-97.1	-9.7	177.8	55.4	0	0	0	0	113.5	K173	K173-T175 PolarHBondContact O-N 2.87Å
176	W	81.6	Confident	80.6	Confident	23 Å²	23	81.2 Å²	81.2	9%	0.087	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-31.6	179.2	66.7	-92.1	0	0	0	114.9	L122 I155 I158 W162 L174 N178 N179 L180	L122-W176 HydrophobicContact CD1-CE3 4.37Å; I155-W176 HydrophobicContact CB-CH2 4.2Å; I155-W176 HydrophobicContact CG1-CH2 4.05Å; I155-W176 HydrophobicContact CG1-CZ3 4.18Å; I155-W176 HydrophobicContact CG2-CH2 4.08Å; I155-W176 HydrophobicContact CG2-CZ2 4.42Å; I158-W176 HydrophobicContact CB-CH2 3.56Å; I158-W176 HydrophobicContact CB-CZ2 4.26Å; I158-W176 HydrophobicContact CB-CZ3 3.97Å; I158-W176 HydrophobicContact CD1-CH2 4.24Å; I158-W176 HydrophobicContact CD1-CZ3 3.77Å; I158-W176 HydrophobicContact CG1-CH2 4.48Å; I158-W176 HydrophobicContact CG1-CZ3 4.47Å; I158-W176 HydrophobicContact CG2-CE3 4.34Å; I158-W176 HydrophobicContact CG2-CH2 3.43Å; I158-W176 VanDerWaalsContact CG2-CH2 3.43Å; I158-W176 HydrophobicContact CG2-CZ2 3.77Å; I158-W176 HydrophobicContact CG2-CZ3 3.74Å; W162-W176 AromaticContact CH2-CD1 3.58Å; W162-W176 HydrophobicContact CH2-CG 4.25Å; W162-W176 AromaticContact CH2-NE1 3.79Å; W162-W176 AromaticContact CZ3-CD1 3.48Å; W162-W176 VanDerWaalsContact CZ3-CD1 3.48Å; W162-W176 HydrophobicContact CZ3-CD2 4.13Å; W162-W176 AromaticContact CZ3-CE2 3.68Å; W162-W176 HydrophobicContact CZ3-CG 4.05Å; W162-W176 HydrophobicContact CZ3-CZ2 4.31Å; W162-W176 AromaticContact CZ3-NE1 3.24Å; L174-W176 VanDerWaalsContact CD2-NE1 3.31Å; W176-N178 PolarHBondContact O-N 2.83Å; W176-N178 VanDerWaalsContact O-N 3.15Å; W176-N179 PolarHBondContact O-N 2.82Å; W176-L180 HydrophobicContact CE3-CD1 4.22Å; W176-L180 HydrophobicContact CE3-CD2 4.05Å; W176-L180 HydrophobicContact CE3-CG 4.11Å; W176-L180 HydrophobicContact CZ3-CD1 3.77Å; W176-L180 HydrophobicContact CZ3-CD2 4Å; W176-L180 HydrophobicContact CZ3-CG 4.11Å
177	P	87.9	Confident	81.5	Confident	22 Å²	22	83 Å²	83	14%	0.143	43%	0.426	C	S	.	.	H	α-helix	trans	-58.4	-32.2	179.3	-27.9	39	0	0	0	113	I155 L174 N179 L180	I155-P177 HydrophobicContact CD1-CB 3.74Å; I155-P177 HydrophobicContact CD1-CG 4.5Å; I155-P177 HydrophobicContact CG1-CB 4.17Å; L174-P177 HydrophobicContact CB-CG 4.45Å; L174-P177 WeakPolarHBondContact O-CD 2.95Å; P177-N179 PolarHBondContact O-N 2.87Å; P177-L180 WeakPolarHBondContact O-CB 3.34Å; P177-L180 PolarHBondContact O-N 2.93Å
178	N	85.9	Confident	82.5	Confident	131 Å²	131	84.3 Å²	84.3	70%	0.701	42%	0.422	S	S	*	.	H	α-helix	trans	-66.9	-21	179.1	-62.6	-19.7	0	0	0	113	W176	W176-N178 PolarHBondContact O-N 2.83Å; W176-N178 VanDerWaalsContact O-N 3.15Å
179	N	90.1	Very high	83.6	Confident	77 Å²	77	81.6 Å²	81.6	41%	0.412	42%	0.42	S	S	.	.	H	α-helix	trans	-97.7	-7.3	-178	-66.2	-56	0	0	0	113.4	L122 W176 P177 K182 T183	L122-N179 HydrophobicContact CD2-CB 3.66Å; W176-N179 PolarHBondContact O-N 2.82Å; P177-N179 PolarHBondContact O-N 2.87Å; N179-K182 PolarHBondContact O-N 3.34Å; N179-T183 WeakPolarHBondContact O-CB 3.28Å; N179-T183 PolarHBondContact O-N 2.8Å; N179-T183 PolarHBondContact O-OG1 2.77Å
180	L	91.5	Very high	84.8	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-59.4	-54.3	-177.6	-75.4	178	0	0	0	112.1	L122 C126 K150 I154 I155 I158 W176 P177 K182 T183 M184	L122-L180 HydrophobicContact CD1-CD2 3.98Å; L122-L180 HydrophobicContact CG-CD2 4.48Å; C126-L180 WeakPolarHBondContact SG-CD2 3.27Å; K150-L180 HydrophobicContact CD-CB 4.43Å; K150-L180 HydrophobicContact CD-CD1 4.43Å; K150-L180 HydrophobicContact CG-CB 4.34Å; K150-L180 HydrophobicContact CG-CD1 3.87Å; I154-L180 HydrophobicContact CG2-CD1 4.48Å; I155-L180 HydrophobicContact CD1-CD1 4.02Å; I155-L180 HydrophobicContact CG1-CD1 3.51Å; I158-L180 HydrophobicContact CD1-CD2 4.4Å; W176-L180 HydrophobicContact CE3-CD1 4.22Å; W176-L180 HydrophobicContact CE3-CD2 4.05Å; W176-L180 HydrophobicContact CE3-CG 4.11Å; W176-L180 HydrophobicContact CZ3-CD1 3.77Å; W176-L180 HydrophobicContact CZ3-CD2 4Å; W176-L180 HydrophobicContact CZ3-CG 4.11Å; P177-L180 WeakPolarHBondContact O-CB 3.34Å; P177-L180 PolarHBondContact O-N 2.93Å; L180-K182 VanDerWaalsContact C-N 3.33Å; L180-K182 PolarHBondContact O-N 2.73Å; L180-T183 PolarHBondContact O-N 3.23Å; L180-T183 VanDerWaalsContact O-N 3.14Å; L180-M184 HydrophobicContact CB-CE 3.94Å; L180-M184 HydrophobicContact CD2-CE 4.4Å; L180-M184 PolarHBondContact O-N 2.67Å
181	V	92.4	Very high	85.9	Confident	48 Å²	48	69.8 Å²	69.8	29%	0.291	37%	0.372	S	S	.	.	H	α-helix	trans	-58.2	-48.5	-178.8	-178.1	0	0	0	0	109.9	K150 T183 S185 P209 F211	K150-V181 HydrophobicContact CD-CG2 3.64Å; V181-T183 VanDerWaalsContact C-N 3.3Å; V181-T183 PolarHBondContact O-N 2.85Å; V181-S185 WeakPolarHBondContact O-CB 3.38Å; V181-S185 PolarHBondContact O-N 3.13Å; V181-S185 PolarHBondContact O-OG 3.31Å; V181-P209 HydrophobicContact CG2-CG 4.03Å; V181-F211 HydrophobicContact CB-CZ 4.29Å; V181-F211 HydrophobicContact CG1-CZ 4.31Å; V181-F211 HydrophobicContact CG2-CZ 4.1Å
182	K	93.1	Very high	87.1	Confident	158 Å²	158	70 Å²	70	69%	0.687	37%	0.37	S	S	*	.	H	α-helix	trans	-58.9	-40.9	178.5	-176.6	178.8	178.2	-179.9	0	112.5	N179 L180 K186	N179-K182 PolarHBondContact O-N 3.34Å; L180-K182 VanDerWaalsContact C-N 3.33Å; L180-K182 PolarHBondContact O-N 2.73Å; K182-K186 WeakPolarHBondContact O-CB 3.26Å; K182-K186 PolarHBondContact O-N 2.89Å
183	T	92.6	Very high	88.5	Confident	30 Å²	30	67 Å²	67	18%	0.184	33%	0.334	C	S	.	.	H	α-helix	trans	-70.9	-52.1	-177.4	-56.9	0	0	0	0	110.8	L122 K123 N179 L180 V181 S185 K186 E187	L122-T183 WeakPolarHBondContact CD2-OG1 3.44Å; L122-T183 HydrophobicContact CG-CG2 4.44Å; K123-T183 HydrophobicContact CB-CG2 4.26Å; N179-T183 WeakPolarHBondContact O-CB 3.28Å; N179-T183 PolarHBondContact O-N 2.8Å; N179-T183 PolarHBondContact O-OG1 2.77Å; L180-T183 PolarHBondContact O-N 3.23Å; L180-T183 VanDerWaalsContact O-N 3.14Å; V181-T183 VanDerWaalsContact C-N 3.3Å; V181-T183 PolarHBondContact O-N 2.85Å; T183-S185 PolarHBondContact O-N 3.18Å; T183-K186 PolarHBondContact O-N 2.99Å; T183-E187 WeakPolarHBondContact O-CG 3.49Å; T183-E187 PolarHBondContact O-N 2.94Å; T183-E187 VanDerWaalsContact O-N 3.14Å
184	M	93.2	Very high	89.6	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-71	-31.1	-178.1	-66.8	-174.9	-75.2	0	0	112.7	C126 L130 I154 L180 K186 F191 F211	C126-M184 HydrophobicContact CB-CG 4.03Å; C126-M184 HydrophobicContact CB-SD 3.88Å; L130-M184 HydrophobicContact CD1-SD 4.09Å; I154-M184 HydrophobicContact CD1-CE 4.19Å; I154-M184 HydrophobicContact CD1-SD 4.5Å; L180-M184 HydrophobicContact CB-CE 3.94Å; L180-M184 HydrophobicContact CD2-CE 4.4Å; L180-M184 PolarHBondContact O-N 2.67Å; M184-K186 VanDerWaalsContact C-N 3.28Å; M184-K186 PolarHBondContact O-N 3.3Å; M184-F191 HydrophobicContact CB-CB 4.15Å; M184-F191 HydrophobicContact CB-CD2 3.92Å; M184-F191 HydrophobicContact CB-CG 4.06Å; M184-F191 HydrophobicContact CG-CD1 4.33Å; M184-F191 HydrophobicContact CG-CD2 3.8Å; M184-F191 HydrophobicContact CG-CE2 4Å; M184-F191 HydrophobicContact CG-CG 3.96Å; M184-F191 HydrophobicContact CG-CZ 4.37Å; M184-F191 HydrophobicContact SD-CD1 4.47Å; M184-F211 HydrophobicContact CB-CD1 3.45Å; M184-F211 VanDerWaalsContact CB-CD1 3.45Å; M184-F211 HydrophobicContact CB-CE1 3.51Å; M184-F211 HydrophobicContact CB-CG 4.45Å; M184-F211 HydrophobicContact CE-CB 4.16Å; M184-F211 HydrophobicContact CE-CD1 3.53Å; M184-F211 HydrophobicContact CE-CD2 3.52Å; M184-F211 HydrophobicContact CE-CE1 3.73Å; M184-F211 HydrophobicContact CE-CE2 3.72Å; M184-F211 HydrophobicContact CE-CG 3.44Å; M184-F211 VanDerWaalsContact CE-CG 3.44Å; M184-F211 HydrophobicContact CE-CZ 3.84Å; M184-F211 HydrophobicContact CG-CD1 4.12Å; M184-F211 HydrophobicContact CG-CE1 4.42Å; M184-F211 HydrophobicContact SD-CB 3.83Å; M184-F211 HydrophobicContact SD-CD1 3.6Å; M184-F211 HydrophobicContact SD-CD2 4.32Å; M184-F211 HydrophobicContact SD-CE1 4.26Å; M184-F211 HydrophobicContact SD-CG 3.65Å
185	S	92.4	Very high	90.5	Very high	29 Å²	29	62.8 Å²	62.8	20%	0.203	31%	0.314	C	S	.	.	H	α-helix	trans	-71.9	-20	172.8	-67	0	0	0	0	113.8	V181 T183 R188	V181-S185 WeakPolarHBondContact O-CB 3.38Å; V181-S185 PolarHBondContact O-N 3.13Å; V181-S185 PolarHBondContact O-OG 3.31Å; T183-S185 PolarHBondContact O-N 3.18Å; S185-R188 WeakPolarHBondContact O-CG 3.42Å; S185-R188 PolarHBondContact O-NE 2.82Å; S185-R188 PolarHBondContact OG-NH2 2.97Å
186	K	93.9	Very high	91	Very high	161 Å²	161	63.8 Å²	63.8	70%	0.7	31%	0.312	S	S	*	.	H	α-helix	trans	-85	-41.1	176.1	-174.4	-172.3	173.7	-156.1	0	111.8	K182 T183 M184 R188	K182-K186 WeakPolarHBondContact O-CB 3.26Å; K182-K186 PolarHBondContact O-N 2.89Å; T183-K186 PolarHBondContact O-N 2.99Å; M184-K186 VanDerWaalsContact C-N 3.28Å; M184-K186 PolarHBondContact O-N 3.3Å; K186-R188 VanDerWaalsContact C-N 3.31Å; K186-R188 PolarHBondContact O-N 2.65Å; K186-R188 VanDerWaalsContact O-N 3.14Å
187	E	91.1	Very high	91.3	Very high	44 Å²	44	64 Å²	64	21%	0.206	32%	0.317	C	S	.	.			trans	-90.3	62.8	-175.1	-55.4	-71.2	144.6	0	0	110.8	K123 T183 D189 V190 F191	K123-E187 HydrophobicContact CD-CB 4.46Å; K123-E187 HydrophobicContact CD-CG 3.95Å; K123-E187 WeakPolarHBondContact CD-OE2 3.44Å; K123-E187 WeakPolarHBondContact CE-OE2 3.38Å; K123-E187 HydrophobicContact CG-CG 4.38Å; K123-E187 IonicContact NZ-OE2 2.74Å; K123-E187 PolarHBondContact NZ-OE2 3.16Å; T183-E187 WeakPolarHBondContact O-CG 3.49Å; T183-E187 PolarHBondContact O-N 2.94Å; T183-E187 VanDerWaalsContact O-N 3.14Å; E187-D189 WeakPolarHBondContact CA-OD1 3.43Å; E187-D189 PolarHBondContact O-N 3.14Å; E187-V190 PolarHBondContact O-N 2.92Å; E187-V190 VanDerWaalsContact O-N 3.1Å; E187-F191 HydrophobicContact CB-CD2 3.87Å; E187-F191 HydrophobicContact CB-CE2 4Å; E187-F191 WeakPolarHBondContact O-CD2 3.29Å; E187-F191 PolarHBondContact O-N 2.94Å
188	R	89.7	Confident	91.2	Very high	117 Å²	117	67.5 Å²	67.5	44%	0.442	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-13.3	-176.5	-63.5	-63.6	-176.3	155.7	-6	114.2	S185 K186 V193	S185-R188 WeakPolarHBondContact O-CG 3.42Å; S185-R188 PolarHBondContact O-NE 2.82Å; S185-R188 PolarHBondContact OG-NH2 2.97Å; K186-R188 VanDerWaalsContact C-N 3.31Å; K186-R188 PolarHBondContact O-N 2.65Å; K186-R188 VanDerWaalsContact O-N 3.14Å; R188-V193 VanDerWaalsContact NH1-CG2 3.33Å
189	D	90	Very high	91	Very high	108 Å²	108	67.8 Å²	67.8	58%	0.578	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-14.7	170.3	60.5	-46.3	0	0	0	112.7	K123 E187 L214	K123-D189 IonicContact NZ-OD2 2.79Å; E187-D189 WeakPolarHBondContact CA-OD1 3.43Å; E187-D189 PolarHBondContact O-N 3.14Å; D189-L214 WeakPolarHBondContact O-CD2 3.47Å
190	V	91.2	Very high	90.5	Very high	29 Å²	29	68.2 Å²	68.2	18%	0.176	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-36.4	-179.1	-177.3	0	0	0	0	112.3	L127 E187 L214	L127-V190 HydrophobicContact CD1-CG1 3.97Å; E187-V190 PolarHBondContact O-N 2.92Å; E187-V190 VanDerWaalsContact O-N 3.1Å; V190-L214 WeakPolarHBondContact O-CB 3.45Å; V190-L214 PolarHBondContact O-N 2.86Å
191	F	96.5	Very high	90	Very high	2 Å²	2	70.5 Å²	70.5	1%	0.009	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	138.2	-172.5	-52.5	-68	0	0	0	114	K123 C126 L127 L130 M184 E187 G212 L213	K123-F191 HydrophobicContact CG-CE2 4.02Å; K123-F191 HydrophobicContact CG-CZ 4.21Å; C126-F191 HydrophobicContact CB-CE1 3.99Å; C126-F191 HydrophobicContact CB-CZ 3.73Å; L127-F191 HydrophobicContact CB-CE1 4.32Å; L127-F191 HydrophobicContact CB-CZ 4.3Å; L130-F191 HydrophobicContact CD1-CD1 3.57Å; L130-F191 HydrophobicContact CD1-CE1 3.82Å; M184-F191 HydrophobicContact CB-CB 4.15Å; M184-F191 HydrophobicContact CB-CD2 3.92Å; M184-F191 HydrophobicContact CB-CG 4.06Å; M184-F191 HydrophobicContact CG-CD1 4.33Å; M184-F191 HydrophobicContact CG-CD2 3.8Å; M184-F191 HydrophobicContact CG-CE2 4Å; M184-F191 HydrophobicContact CG-CG 3.96Å; M184-F191 HydrophobicContact CG-CZ 4.37Å; M184-F191 HydrophobicContact SD-CD1 4.47Å; E187-F191 HydrophobicContact CB-CD2 3.87Å; E187-F191 HydrophobicContact CB-CE2 4Å; E187-F191 WeakPolarHBondContact O-CD2 3.29Å; E187-F191 PolarHBondContact O-N 2.94Å; F191-G212 CarbonylContact C-O 3.49Å; F191-G212 WeakPolarHBondContact CA-O 3.27Å; F191-L213 HydrophobicContact CD1-CD2 4.18Å; F191-L213 HydrophobicContact CE1-CD2 4.16Å
192	L	93.8	Very high	89.5	Confident	66 Å²	66	78.2 Å²	78.2	35%	0.346	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	136.5	161.7	-62.3	176.4	0	0	0	109	M147 F211 G212 L213 L214	M147-L192 HydrophobicContact CE-CB 4.26Å; M147-L192 HydrophobicContact SD-CB 3.89Å; M147-L192 HydrophobicContact SD-CD1 4.36Å; L192-F211 VanDerWaalsContact O-CA 3.28Å; L192-F211 WeakPolarHBondContact O-CA 3.21Å; L192-G212 PolarHBondContact N-O 3.5Å; L192-G212 PolarHBondContact O-N 3.42Å; L192-L213 WeakPolarHBondContact CD1-O 3.44Å; L192-L214 HydrophobicContact CD2-CD1 3.6Å; L192-L214 HydrophobicContact CG-CD1 4.33Å
193	V	94.4	Very high	89	Confident	26 Å²	26	73.9 Å²	73.9	16%	0.158	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	130.1	176.6	-170.9	0	0	0	0	109.4	R188 E195 F211	R188-V193 VanDerWaalsContact NH1-CG2 3.33Å; V193-E195 HydrophobicContact CG1-CG 4.18Å; V193-F211 HydrophobicContact CB-CD1 4.1Å; V193-F211 HydrophobicContact CB-CE1 3.99Å; V193-F211 HydrophobicContact CG1-CD1 3.85Å; V193-F211 HydrophobicContact CG1-CE1 3.33Å; V193-F211 HydrophobicContact CG1-CZ 3.89Å; V193-F211 HydrophobicContact CG2-CD1 3.67Å; V193-F211 HydrophobicContact CG2-CE1 3.63Å
194	K	92.3	Very high	88.7	Confident	49 Å²	49	75.4 Å²	75.4	21%	0.213	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	113.6	172.7	-172.1	173.2	170.6	-178.4	0	108.7	M147 H196 D198 Y208 P209 K210	M147-K194 HydrophobicContact CE-CB 3.69Å; K194-H196 WeakPolarHBondContact CE-O 3.31Å; K194-H196 VanDerWaalsContact CG-O 3.27Å; K194-H196 WeakPolarHBondContact CG-O 3.41Å; K194-D198 WeakPolarHBondContact CE-OD1 3.2Å; K194-D198 IonicContact NZ-OD1 3.41Å; K194-D198 PolarHBondContact NZ-OD1 3.47Å; K194-D198 VanDerWaalsContact NZ-OD1 3.09Å; K194-D198 IonicContact NZ-OD2 3.12Å; K194-D198 PolarHBondContact NZ-OD2 2.85Å; K194-Y208 HydrophobicContact CB-CE1 4.36Å; K194-Y208 HydrophobicContact CD-CE1 3.78Å; K194-Y208 HydrophobicContact CG-CD1 4.24Å; K194-Y208 HydrophobicContact CG-CE1 3.74Å; K194-Y208 WeakPolarHBondContact O-CD1 3.34Å; K194-P209 WeakPolarHBondContact O-CA 3.23Å; K194-K210 PolarHBondContact N-O 2.63Å; K194-K210 PolarHBondContact O-N 2.97Å
195	E	88.1	Confident	88.4	Confident	104 Å²	104	80.4 Å²	80.4	49%	0.486	43%	0.429	S	S	.	.			trans	-86.1	-24.9	-173	-65.3	-176.7	175.2	0	0	113	V193 Y208	V193-E195 HydrophobicContact CG1-CG 4.18Å; E195-Y208 WeakPolarHBondContact O-CB 3.27Å
196	H	88.9	Confident	88.2	Confident	116 Å²	116	85.5 Å²	85.5	54%	0.537	45%	0.45	S	S	.	.	S	Bend	trans	-141.4	156.3	-177.7	-66.4	-66.2	0	0	0	111	K194 E205 Y208	K194-H196 WeakPolarHBondContact CE-O 3.31Å; K194-H196 VanDerWaalsContact CG-O 3.27Å; K194-H196 WeakPolarHBondContact CG-O 3.41Å; H196-E205 IonicContact CE1-OE1 2.58Å; H196-E205 IonicContact CG-OE1 2.65Å; H196-E205 IonicContact ND1-OE1 2.64Å; H196-E205 PolarHBondContact ND1-OE1 3.35Å; H196-Y208 VanDerWaalsContact C-CD1 3.49Å; H196-Y208 VanDerWaalsContact C-CE1 3.48Å; H196-Y208 WeakPolarHBondContact O-CE1 3.33Å
197	P	88.8	Confident	87.8	Confident	28 Å²	28	79.2 Å²	79.2	18%	0.182	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-59.7	153	171.7	21.2	-27.4	0	0	0	112.3	S201 D203 E205 Y208	P197-S201 VanDerWaalsContact CB-OG 3.3Å; P197-S201 WeakPolarHBondContact CB-OG 3.31Å; P197-D203 HydrophobicContact CB-CB 4.39Å; P197-E205 VanDerWaalsContact CD-CD 3.45Å; P197-E205 WeakPolarHBondContact CD-OE1 3.35Å; P197-E205 WeakPolarHBondContact CD-OE2 3.48Å; P197-E205 WeakPolarHBondContact CG-OE2 3.35Å; P197-Y208 WeakPolarHBondContact CA-OH 3.17Å; P197-Y208 HydrophobicContact CB-CD2 4.29Å; P197-Y208 HydrophobicContact CB-CE2 3.56Å; P197-Y208 HydrophobicContact CG-CD2 4.24Å; P197-Y208 HydrophobicContact CG-CE2 4Å
198	D	84.8	Confident	87.8	Confident	95 Å²	95	77.9 Å²	77.9	51%	0.508	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-69.4	143.7	175.3	-66.6	-33.6	0	0	0	108.9	K194 G200 S201	K194-D198 WeakPolarHBondContact CE-OD1 3.2Å; K194-D198 IonicContact NZ-OD1 3.41Å; K194-D198 PolarHBondContact NZ-OD1 3.47Å; K194-D198 VanDerWaalsContact NZ-OD1 3.09Å; K194-D198 IonicContact NZ-OD2 3.12Å; K194-D198 PolarHBondContact NZ-OD2 2.85Å; D198-G200 PolarHBondContact O-N 2.95Å; D198-S201 PolarHBondContact N-OG 2.82Å; D198-S201 WeakPolarHBondContact O-CB 3.49Å; D198-S201 PolarHBondContact O-N 3.04Å; D198-S201 PolarHBondContact O-OG 2.97Å
199	P	83.2	Confident	88	Confident	137 Å²	137	73.6 Å²	73.6	89%	0.89	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	116.6	176.6	-26	34.3	0	0	0	111.4
200	G	77.7	Confident	88.2	Confident	85 Å²	85	69.9 Å²	69.9	88%	0.876	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	1	-178.6	0	0	0	0	0	115.9	D198	D198-G200 PolarHBondContact O-N 2.95Å
201	S	81.8	Confident	88.5	Confident	49 Å²	49	68.5 Å²	68.5	34%	0.343	37%	0.374	S	S	.	.			trans	-71.9	151.2	171.1	68.8	0	0	0	0	111.8	P197 D198 D203	P197-S201 VanDerWaalsContact CB-OG 3.3Å; P197-S201 WeakPolarHBondContact CB-OG 3.31Å; D198-S201 PolarHBondContact N-OG 2.82Å; D198-S201 WeakPolarHBondContact O-CB 3.49Å; D198-S201 PolarHBondContact O-N 3.04Å; D198-S201 PolarHBondContact O-OG 2.97Å; S201-D203 VanDerWaalsContact C-N 3.25Å
202	K	81.8	Confident	88.4	Confident	210 Å²	210	68.4 Å²	68.4	91%	0.913	37%	0.374	S	S	*	.			trans	-86.3	4.9	176	-67.2	-174.4	178.9	179.4	0	113
203	D	83	Confident	88.5	Confident	67 Å²	67	65.4 Å²	65.4	36%	0.358	36%	0.358	S	S	.	.			trans	-70.7	132.6	-177.7	-77.9	14.4	0	0	0	110.4	P197 S201 Y208 K210	P197-D203 HydrophobicContact CB-CB 4.39Å; S201-D203 VanDerWaalsContact C-N 3.25Å; D203-Y208 HydrophobicContact CB-CE2 3.88Å; D203-Y208 PolarHBondContact OD2-OH 2.97Å; D203-K210 IonicContact OD2-NZ 3.6Å; D203-K210 PolarHBondContact OD2-NZ 2.98Å
204	P	86.3	Confident	88.5	Confident	61 Å²	61	68.3 Å²	68.3	40%	0.396	37%	0.373	S	S	.	.			trans	-61.4	137.3	173.9	-19.7	30.4	0	0	0	112.2	E206 D207 Y208	P204-E206 HydrophobicContact CB-CG 3.59Å; P204-E206 PolarHBondContact O-N 3.2Å; P204-D207 WeakPolarHBondContact CD-OD2 3.17Å; P204-D207 WeakPolarHBondContact O-CB 3.36Å; P204-D207 PolarHBondContact O-N 3.48Å; P204-D207 VanDerWaalsContact O-N 3.12Å; P204-Y208 WeakPolarHBondContact O-CD2 3.35Å
205	E	86.9	Confident	88.4	Confident	105 Å²	105	69.6 Å²	69.6	49%	0.491	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-58.5	-32.6	175.4	-166.8	70.1	-149	0	0	112	H196 P197 D207 Y208	H196-E205 IonicContact CE1-OE1 2.58Å; H196-E205 IonicContact CG-OE1 2.65Å; H196-E205 IonicContact ND1-OE1 2.64Å; H196-E205 PolarHBondContact ND1-OE1 3.35Å; P197-E205 VanDerWaalsContact CD-CD 3.45Å; P197-E205 WeakPolarHBondContact CD-OE1 3.35Å; P197-E205 WeakPolarHBondContact CD-OE2 3.48Å; P197-E205 WeakPolarHBondContact CG-OE2 3.35Å; E205-D207 PolarHBondContact O-N 3.36Å; E205-Y208 PolarHBondContact O-N 2.79Å; E205-Y208 VanDerWaalsContact O-N 3.15Å
206	E	87.2	Confident	88.4	Confident	136 Å²	136	67.6 Å²	67.6	64%	0.636	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-65	-15.3	178.5	57.1	167.6	-134.8	0	0	114.7	K152 P204	K152-E206 IonicContact NZ-OE1 2.8Å; K152-E206 PolarHBondContact NZ-OE1 3.28Å; P204-E206 HydrophobicContact CB-CG 3.59Å; P204-E206 PolarHBondContact O-N 3.2Å
207	D	86.4	Confident	88.4	Confident	29 Å²	29	66 Å²	66	16%	0.155	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-79.9	-11	176.6	-71.4	-13.1	0	0	0	112.5	S149 K152 P204 E205 K210	S149-D207 VanDerWaalsContact CB-O 3.22Å; S149-D207 WeakPolarHBondContact CB-O 3.38Å; S149-D207 PolarHBondContact OG-O 2.82Å; K152-D207 WeakPolarHBondContact CD-OD1 3.42Å; K152-D207 VanDerWaalsContact CE-OD1 3.23Å; K152-D207 WeakPolarHBondContact CE-OD1 3.4Å; K152-D207 IonicContact NZ-OD1 3.84Å; K152-D207 PolarHBondContact NZ-OD1 2.82Å; P204-D207 WeakPolarHBondContact CD-OD2 3.17Å; P204-D207 WeakPolarHBondContact O-CB 3.36Å; P204-D207 PolarHBondContact O-N 3.48Å; P204-D207 VanDerWaalsContact O-N 3.12Å; E205-D207 PolarHBondContact O-N 3.36Å; D207-K210 WeakPolarHBondContact O-CG 3.03Å
208	Y	90.9	Very high	88.5	Confident	17 Å²	17	64.7 Å²	64.7	7%	0.067	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-97.2	149.2	-176.3	-68.3	-93.3	0	0	0	111.9	K194 E195 H196 P197 D203 P204 E205 K210	K194-Y208 HydrophobicContact CB-CE1 4.36Å; K194-Y208 HydrophobicContact CD-CE1 3.78Å; K194-Y208 HydrophobicContact CG-CD1 4.24Å; K194-Y208 HydrophobicContact CG-CE1 3.74Å; K194-Y208 WeakPolarHBondContact O-CD1 3.34Å; E195-Y208 WeakPolarHBondContact O-CB 3.27Å; H196-Y208 VanDerWaalsContact C-CD1 3.49Å; H196-Y208 VanDerWaalsContact C-CE1 3.48Å; H196-Y208 WeakPolarHBondContact O-CE1 3.33Å; P197-Y208 WeakPolarHBondContact CA-OH 3.17Å; P197-Y208 HydrophobicContact CB-CD2 4.29Å; P197-Y208 HydrophobicContact CB-CE2 3.56Å; P197-Y208 HydrophobicContact CG-CD2 4.24Å; P197-Y208 HydrophobicContact CG-CE2 4Å; D203-Y208 HydrophobicContact CB-CE2 3.88Å; D203-Y208 PolarHBondContact OD2-OH 2.97Å; P204-Y208 WeakPolarHBondContact O-CD2 3.35Å; E205-Y208 PolarHBondContact O-N 2.79Å; E205-Y208 VanDerWaalsContact O-N 3.15Å; Y208-K210 HydrophobicContact CD1-CB 4.37Å; Y208-K210 HydrophobicContact CD1-CD 4.45Å; Y208-K210 HydrophobicContact CD1-CG 4.04Å; Y208-K210 HydrophobicContact CE1-CB 4.37Å; Y208-K210 HydrophobicContact CE1-CD 3.96Å; Y208-K210 HydrophobicContact CE1-CG 4.02Å; Y208-K210 HydrophobicContact CG-CG 4.49Å
209	P	93.8	Very high	88.6	Confident	26 Å²	26	60.9 Å²	60.9	17%	0.169	34%	0.343	C	S	.	.	S	Bend	cis	-76.9	143.6	5.6	29.3	-34.4	0	0	0	113.9	K150 V181 K194 F211	K150-P209 HydrophobicContact CB-CG 4.3Å; K150-P209 HydrophobicContact CD-CG 4.43Å; K150-P209 PolarHBondContact N-O 2.98Å; V181-P209 HydrophobicContact CG2-CG 4.03Å; K194-P209 WeakPolarHBondContact O-CA 3.23Å; P209-F211 HydrophobicContact CB-CE2 3.8Å; P209-F211 HydrophobicContact CB-CZ 4.01Å; P209-F211 HydrophobicContact CG-CE2 3.81Å; P209-F211 HydrophobicContact CG-CZ 4.12Å
210	K	94.4	Very high	88.8	Confident	30 Å²	30	59.5 Å²	59.5	13%	0.13	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	144.7	173	-65	-175.2	-178.5	178.2	0	111.1	M147 F148 K194 D203 D207 Y208	M147-K210 HydrophobicContact CB-CB 4.21Å; M147-K210 HydrophobicContact CE-CB 4.29Å; M147-K210 WeakPolarHBondContact CE-O 3.34Å; F148-K210 CarbonylContact O-C 3.56Å; F148-K210 WeakPolarHBondContact O-CA 3.17Å; K194-K210 PolarHBondContact N-O 2.63Å; K194-K210 PolarHBondContact O-N 2.97Å; D203-K210 IonicContact OD2-NZ 3.6Å; D203-K210 PolarHBondContact OD2-NZ 2.98Å; D207-K210 WeakPolarHBondContact O-CG 3.03Å; Y208-K210 HydrophobicContact CD1-CB 4.37Å; Y208-K210 HydrophobicContact CD1-CD 4.45Å; Y208-K210 HydrophobicContact CD1-CG 4.04Å; Y208-K210 HydrophobicContact CE1-CB 4.37Å; Y208-K210 HydrophobicContact CE1-CD 3.96Å; Y208-K210 HydrophobicContact CE1-CG 4.02Å; Y208-K210 HydrophobicContact CG-CG 4.49Å
211	F	96.9	Very high	89.4	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.5	-179.4	-59.5	-93	0	0	0	111.3	L130 M147 F148 K150 I154 V181 M184 L192 V193 P209	L130-F211 HydrophobicContact CD1-CB 4.22Å; L130-F211 HydrophobicContact CD2-CB 4.36Å; L130-F211 WeakPolarHBondContact CD2-O 3.26Å; M147-F211 CarbonylContact C-O 3.58Å; M147-F211 WeakPolarHBondContact CA-O 3.43Å; F148-F211 PolarHBondContact N-O 2.86Å; F148-F211 PolarHBondContact O-N 3.07Å; K150-F211 HydrophobicContact CB-CD2 4.22Å; K150-F211 HydrophobicContact CB-CE2 3.88Å; K150-F211 HydrophobicContact CG-CE2 4.18Å; I154-F211 HydrophobicContact CD1-CB 3.78Å; I154-F211 HydrophobicContact CD1-CD2 3.87Å; I154-F211 HydrophobicContact CD1-CG 4.17Å; V181-F211 HydrophobicContact CB-CZ 4.29Å; V181-F211 HydrophobicContact CG1-CZ 4.31Å; V181-F211 HydrophobicContact CG2-CZ 4.1Å; M184-F211 HydrophobicContact CB-CD1 3.45Å; M184-F211 VanDerWaalsContact CB-CD1 3.45Å; M184-F211 HydrophobicContact CB-CE1 3.51Å; M184-F211 HydrophobicContact CB-CG 4.45Å; M184-F211 HydrophobicContact CE-CB 4.16Å; M184-F211 HydrophobicContact CE-CD1 3.53Å; M184-F211 HydrophobicContact CE-CD2 3.52Å; M184-F211 HydrophobicContact CE-CE1 3.73Å; M184-F211 HydrophobicContact CE-CE2 3.72Å; M184-F211 HydrophobicContact CE-CG 3.44Å; M184-F211 VanDerWaalsContact CE-CG 3.44Å; M184-F211 HydrophobicContact CE-CZ 3.84Å; M184-F211 HydrophobicContact CG-CD1 4.12Å; M184-F211 HydrophobicContact CG-CE1 4.42Å; M184-F211 HydrophobicContact SD-CB 3.83Å; M184-F211 HydrophobicContact SD-CD1 3.6Å; M184-F211 HydrophobicContact SD-CD2 4.32Å; M184-F211 HydrophobicContact SD-CE1 4.26Å; M184-F211 HydrophobicContact SD-CG 3.65Å; L192-F211 VanDerWaalsContact O-CA 3.28Å; L192-F211 WeakPolarHBondContact O-CA 3.21Å; V193-F211 HydrophobicContact CB-CD1 4.1Å; V193-F211 HydrophobicContact CB-CE1 3.99Å; V193-F211 HydrophobicContact CG1-CD1 3.85Å; V193-F211 HydrophobicContact CG1-CE1 3.33Å; V193-F211 HydrophobicContact CG1-CZ 3.89Å; V193-F211 HydrophobicContact CG2-CD1 3.67Å; V193-F211 HydrophobicContact CG2-CE1 3.63Å; P209-F211 HydrophobicContact CB-CE2 3.8Å; P209-F211 HydrophobicContact CB-CZ 4.01Å; P209-F211 HydrophobicContact CG-CE2 3.81Å; P209-F211 HydrophobicContact CG-CZ 4.12Å
212	G	95.9	Very high	89.7	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	172.2	176.5	0	0	0	0	0	111.2	T146 F191 L192	T146-G212 WeakPolarHBondContact O-CA 3.34Å; F191-G212 CarbonylContact C-O 3.49Å; F191-G212 WeakPolarHBondContact CA-O 3.27Å; L192-G212 PolarHBondContact N-O 3.5Å; L192-G212 PolarHBondContact O-N 3.42Å
213	L	96	Very high	90	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.016	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	139	172.8	-63.5	178.1	0	0	0	110.6	L127 L130 A131 F191 L192 D215 Q216 L218 I221	L127-L213 HydrophobicContact CD1-CD2 3.54Å; L130-L213 HydrophobicContact CB-CD1 4.45Å; L130-L213 HydrophobicContact CB-CD2 3.78Å; L130-L213 HydrophobicContact CB-CG 3.88Å; L130-L213 HydrophobicContact CD1-CD2 4.18Å; A131-L213 HydrophobicContact CB-CD1 4.01Å; F191-L213 HydrophobicContact CD1-CD2 4.18Å; F191-L213 HydrophobicContact CE1-CD2 4.16Å; L192-L213 WeakPolarHBondContact CD1-O 3.44Å; L213-D215 VanDerWaalsContact CB-O 3.3Å; L213-D215 WeakPolarHBondContact CB-O 3.43Å; L213-Q216 PolarHBondContact O-NE2 3.44Å; L213-L218 HydrophobicContact CD1-CD2 3.73Å; L213-I221 HydrophobicContact CD1-CD1 3.82Å
214	L	92.9	Very high	90	Very high	88 Å²	88	47.8 Å²	47.8	46%	0.461	27%	0.266	S	S	.	.	S	Bend	trans	-67	-47	173	-177.5	67.3	0	0	0	110.7	D189 V190 L192	D189-L214 WeakPolarHBondContact O-CD2 3.47Å; V190-L214 WeakPolarHBondContact O-CB 3.45Å; V190-L214 PolarHBondContact O-N 2.86Å; L192-L214 HydrophobicContact CD2-CD1 3.6Å; L192-L214 HydrophobicContact CG-CD1 4.33Å
215	D	89.9	Confident	89.5	Confident	76 Å²	76	46.6 Å²	46.6	41%	0.406	25%	0.254	S	S	.	.			trans	-83.1	122.4	171.3	-165.2	-9.8	0	0	0	109.9	L213 D217 N220	L213-D215 VanDerWaalsContact CB-O 3.3Å; L213-D215 WeakPolarHBondContact CB-O 3.43Å; D215-D217 PolarHBondContact OD1-N 2.71Å; D215-N220 WeakPolarHBondContact OD2-CB 3.29Å; D215-N220 PolarHBondContact OD2-ND2 3.33Å
216	Q	88.9	Confident	87.7	Confident	62 Å²	62	49.1 Å²	49.1	29%	0.29	27%	0.271	S	S	.	.			trans	-90.6	-11.1	178.7	-67.5	-66.2	-46.3	0	0	112.1	R138 L213 L218	R138-Q216 VanDerWaalsContact CZ-O 3.3Å; R138-Q216 PolarHBondContact NH1-O 2.87Å; R138-Q216 PolarHBondContact NH2-O 3.03Å; L213-Q216 PolarHBondContact O-NE2 3.44Å; Q216-L218 PolarHBondContact O-N 3.39Å
217	D	89.1	Confident	85.4	Confident	81 Å²	81	47.6 Å²	47.6	43%	0.433	27%	0.267	S	S	.	.			trans	-86.5	101.1	171.4	-172.4	-3.6	0	0	0	110.3	D215 G219 N220	D215-D217 PolarHBondContact OD1-N 2.71Å; D217-G219 PolarHBondContact O-N 2.99Å; D217-G219 VanDerWaalsContact O-N 3.17Å; D217-G219 PolarHBondContact OD1-N 3.4Å; D217-N220 PolarHBondContact O-N 2.93Å
218	L	90.4	Very high	83	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-66.9	-15.4	-179.7	-55.1	-178.2	0	0	0	112.5	F96 A131 T134 W135 L213 Q216 N220 I221	F96-L218 HydrophobicContact CD1-CB 4.19Å; F96-L218 HydrophobicContact CE1-CB 3.67Å; F96-L218 HydrophobicContact CE1-CD1 4.11Å; F96-L218 HydrophobicContact CE1-CG 4.49Å; F96-L218 HydrophobicContact CZ-CB 4.32Å; F96-L218 HydrophobicContact CZ-CD1 3.93Å; A131-L218 HydrophobicContact CB-CD2 4.33Å; T134-L218 HydrophobicContact CG2-CD1 4.43Å; T134-L218 HydrophobicContact CG2-CD2 4.42Å; W135-L218 HydrophobicContact CB-CD1 3.82Å; W135-L218 HydrophobicContact CE3-CD1 4.16Å; L213-L218 HydrophobicContact CD1-CD2 3.73Å; Q216-L218 PolarHBondContact O-N 3.39Å; L218-N220 PolarHBondContact O-N 3.17Å; L218-I221 HydrophobicContact CB-CD1 4.34Å; L218-I221 HydrophobicContact CD2-CD1 3.68Å; L218-I221 WeakPolarHBondContact O-CB 3.33Å; L218-I221 PolarHBondContact O-N 3.38Å
219	G	87	Confident	80.2	Confident	16 Å²	16	62.6 Å²	62.6	17%	0.165	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-68.4	-21.2	176.1	0	0	0	0	0	113.6	R65 Q67 D217 I221	R65-G219 PolarHBondContact NH1-O 3.47Å; Q67-G219 VanDerWaalsContact NE2-N 3.2Å; D217-G219 PolarHBondContact O-N 2.99Å; D217-G219 VanDerWaalsContact O-N 3.17Å; D217-G219 PolarHBondContact OD1-N 3.4Å; G219-I221 VanDerWaalsContact C-N 3.31Å
220	N	87.9	Confident	77.4	Confident	107 Å²	107	70.3 Å²	70.3	57%	0.572	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-82	-11.2	175.3	-65.1	-29.4	0	0	0	112.9	D215 D217 L218 G222	D215-N220 WeakPolarHBondContact OD2-CB 3.29Å; D215-N220 PolarHBondContact OD2-ND2 3.33Å; D217-N220 PolarHBondContact O-N 2.93Å; L218-N220 PolarHBondContact O-N 3.17Å; N220-G222 PolarHBondContact O-N 3.16Å
221	I	89.7	Confident	74	Confident	17 Å²	17	75.4 Å²	75.4	9%	0.087	40%	0.402	C	S	.	.			trans	-75	117.2	178.5	-57.9	178.3	0	0	0	108.5	R65 W80 F96 T98 L127 A131 L213 L218 G219	R65-I221 PolarHBondContact NH1-O 3.28Å; W80-I221 VanDerWaalsContact CH2-O 3.24Å; W80-I221 WeakPolarHBondContact CH2-O 3.36Å; F96-I221 HydrophobicContact CB-CG2 4.37Å; T98-I221 HydrophobicContact CG2-CG2 3.73Å; L127-I221 HydrophobicContact CD1-CD1 4.34Å; L127-I221 HydrophobicContact CD2-CG2 4.39Å; L127-I221 HydrophobicContact CG-CG2 4.48Å; A131-I221 HydrophobicContact CB-CD1 3.58Å; L213-I221 HydrophobicContact CD1-CD1 3.82Å; L218-I221 HydrophobicContact CB-CD1 4.34Å; L218-I221 HydrophobicContact CD2-CD1 3.68Å; L218-I221 WeakPolarHBondContact O-CB 3.33Å; L218-I221 PolarHBondContact O-N 3.38Å; G219-I221 VanDerWaalsContact C-N 3.31Å
222	G	88.2	Confident	70.9	Confident	23 Å²	23	82 Å²	82	24%	0.237	44%	0.443	C	S	.	.			trans	-157.5	170.3	175.6	0	0	0	0	0	113.1	T98 N220	T98-G222 WeakPolarHBondContact CG2-O 3.33Å; N220-G222 PolarHBondContact O-N 3.16Å
223	P	88.9	Confident	67.5	Low	11 Å²	11	86.2 Å²	86.2	7%	0.071	48%	0.477	C	S	.	.			trans	-58.4	136.8	174.4	25.1	-34.6	0	0	0	110.9	Q73 T98 Y100 Y225	Q73-P223 HydrophobicContact CB-CG 4.12Å; T98-P223 WeakPolarHBondContact O-CB 3.35Å; Y100-P223 HydrophobicContact CE2-CG 4.06Å; Y100-P223 WeakPolarHBondContact OH-CD 3.05Å; P223-Y225 HydrophobicContact CB-CD2 4.42Å; P223-Y225 HydrophobicContact CB-CE1 4.02Å; P223-Y225 HydrophobicContact CB-CE2 3.96Å; P223-Y225 HydrophobicContact CG-CD2 4.01Å; P223-Y225 HydrophobicContact CG-CE1 4.18Å; P223-Y225 HydrophobicContact CG-CE2 3.29Å; P223-Y225 PolarHBondContact O-N 3.42Å
224	S	82.4	Confident	64.2	Low	115 Å²	115	90.8 Å²	90.8	80%	0.804	52%	0.515	S	S	*	.			trans	-79.1	91	170.9	-170.3	0	0	0	0	108.7	D226	S224-D226 PolarHBondContact O-N 2.95Å
225	Y	76.6	Confident	61	Low	36 Å²	36	92.6 Å²	92.6	14%	0.141	53%	0.532	C	S	.	.			trans	-80.8	108	163.7	-58.3	-55.5	0	0	0	106.7	Q73 A75 M78 F102 P223 N227	Q73-Y225 HydrophobicContact CB-CE2 4.39Å; Q73-Y225 HydrophobicContact CG-CE2 4.47Å; Q73-Y225 PolarHBondContact O-OH 2.95Å; A75-Y225 VanDerWaalsContact CA-CE2 3.41Å; A75-Y225 HydrophobicContact CB-CD1 3.67Å; A75-Y225 HydrophobicContact CB-CD2 4.09Å; A75-Y225 HydrophobicContact CB-CE1 3.41Å; A75-Y225 VanDerWaalsContact CB-CE1 3.41Å; A75-Y225 HydrophobicContact CB-CE2 3.82Å; A75-Y225 HydrophobicContact CB-CG 4Å; A75-Y225 VanDerWaalsContact CB-CZ 3.47Å; M78-Y225 HydrophobicContact CE-CD2 4.47Å; M78-Y225 HydrophobicContact SD-CD2 3.95Å; F102-Y225 PolarHBondContact N-OH 3.37Å; P223-Y225 HydrophobicContact CB-CD2 4.42Å; P223-Y225 HydrophobicContact CB-CE1 4.02Å; P223-Y225 HydrophobicContact CB-CE2 3.96Å; P223-Y225 HydrophobicContact CG-CD2 4.01Å; P223-Y225 HydrophobicContact CG-CE1 4.18Å; P223-Y225 HydrophobicContact CG-CE2 3.29Å; P223-Y225 PolarHBondContact O-N 3.42Å; Y225-N227 PolarHBondContact O-N 2.88Å
226	D	48.8	Very low	57.8	Low	157 Å²	157	95.2 Å²	95.2	84%	0.84	55%	0.551	S	S	*	*			trans	-52.3	107.4	173.8	-91	-35.4	0	0	0	108.5	S224 Q228	S224-D226 PolarHBondContact O-N 2.95Å; D226-Q228 PolarHBondContact O-N 3.44Å
227	N	38.7	Very low	55.4	Low	105 Å²	105	98.3 Å²	98.3	56%	0.561	58%	0.577	S	S	*	*			trans	-67.8	100.3	178.7	-86.8	-47.3	0	0	0	108.1	M78 Y225 K229	M78-N227 VanDerWaalsContact CE-OD1 3.32Å; M78-N227 WeakPolarHBondContact CE-OD1 3.46Å; Y225-N227 PolarHBondContact O-N 2.88Å; N227-K229 HydrophobicContact CB-CG 4.48Å; N227-K229 PolarHBondContact O-N 3.34Å
228	Q	36.6	Very low	52.2	Low	198 Å²	198	98.3 Å²	98.3	93%	0.925	60%	0.596	S	S	*	*			trans	-65.9	73.4	150.7	-79.6	-177.7	9.1	0	0	108.5	D226	D226-Q228 PolarHBondContact O-N 3.44Å
229	K	31.8	Very low	49	Very low	163 Å²	163	101.3 Å²	101.3	71%	0.709	63%	0.627	S	S	*	*			trans	-112.7	119.7	162.6	-76.1	-172	179.5	179.9	0	108.4	N227 T231	N227-K229 HydrophobicContact CB-CG 4.48Å; N227-K229 PolarHBondContact O-N 3.34Å; K229-T231 PolarHBondContact O-N 2.98Å
230	Q	33.9	Very low	46	Very low	187 Å²	187	108.4 Å²	108.4	87%	0.874	66%	0.661	S	S	*	*			trans	-36.8	123	167.6	-72.2	166.6	-10.6	0	0	111.4
231	T	24	Very low	42.9	Very low	137 Å²	137	110.5 Å²	110.5	84%	0.84	67%	0.672	S	S	*	*			trans	-116.6	103.1	152.3	18.5	0	0	0	0	107.7	K229 A233	K229-T231 PolarHBondContact O-N 2.98Å; T231-A233 PolarHBondContact O-N 3.36Å
232	T	31.3	Very low	39.8	Very low	140 Å²	140	113 Å²	113	86%	0.859	70%	0.702	S	S	*	*			trans	-60.1	102.8	161.3	44.9	0	0	0	0	109.3
233	A	24.9	Very low	36.6	Very low	88 Å²	88	115.5 Å²	115.5	73%	0.727	73%	0.727	S	S	*	*			trans	-150.4	113.4	156.9	0	0	0	0	0	108.6	T231	T231-A233 PolarHBondContact O-N 3.36Å
234	A	26.1	Very low	34	Very low	98 Å²	98	120.6 Å²	120.6	81%	0.81	76%	0.761	S	S	*	*			trans	-63.7	144.6	178.4	0	0	0	0	0	111.7
235	P	26.7	Very low	31.2	Very low	126 Å²	126	120.3 Å²	120.3	82%	0.818	76%	0.759	S	S	*	*			trans	-113.7	130.2	155.5	32	-19.3	0	0	0	110.9
236	T	22.9	Very low	28.6	Very low	131 Å²	131	128.4 Å²	128.4	80%	0.804	80%	0.795	S	S	*	*			trans	-131.4	160.4	160.4	-9.2	0	0	0	0	107
237	P	37.1	Very low	27.5	Very low	127 Å²	127	126.8 Å²	126.8	83%	0.825	80%	0.796	S	S	*	*				-124.9	169.4	-80	39.1	-25.5	0	0	0	112.7
238	G	22.7	Very low	26.7	Very low	82 Å²	82	125.8 Å²	125.8	85%	0.845	81%	0.81	S	S	*	*			trans	135.6	128.8	163.4	0	0	0	0	0	112
239	G	22.1	Very low	26	Very low	64 Å²	64	119.7 Å²	119.7	66%	0.66	80%	0.801	S	S	*	*			cis	171.6	150.8	-1.4	0	0	0	0	0	108.3
240	L	24.2	Very low	25.6	Very low	165 Å²	165	120.6 Å²	120.6	86%	0.864	81%	0.813	S	S	*	*			trans	69.3	139.6	150	-51.7	172.6	0	0	0	115.9
241	N	24.6	Very low	25.1	Very low	150 Å²	150	116 Å²	116	80%	0.802	81%	0.807	S	S	*	*			cis	-162.8	160.7	10.7	-90.9	-32.4	0	0	0	104.3
242	G	23.1	Very low	25.3	Very low	70 Å²	70	115.7 Å²	115.7	72%	0.722	81%	0.807	S	S	*	*			cis	172	140.5	6.1	0	0	0	0	0	106.2
243	G	22.3	Very low	25.1	Very low	75 Å²	75	112.5 Å²	112.5	77%	0.773	80%	0.802	S	S	*	*			trans	-69.2	174.7	159.9	0	0	0	0	0	110.6
244	P	32.7	Very low	25.6	Very low	119 Å²	119	114.8 Å²	114.8	77%	0.773	81%	0.809	S	S	*	*				-141.5	139.9	83.7	26.5	-5.5	0	0	0	113.1
245	S	24.1	Very low	25.5	Very low	109 Å²	109	113.6 Å²	113.6	76%	0.762	81%	0.807	S	S	*	*				86.2	117.1	82.6	-58	0	0	0	0	116.3
246	F	22.7	Very low	25.6	Very low	205 Å²	205	117.8 Å²	117.8	90%	0.899	81%	0.812	S	S	*	*			trans	36.4	130.3	135.7	-78.3	-90.7	0	0	0	122.5
247	S	24.5	Very low	25.7	Very low	123 Å²	123	115.3 Å²	115.3	86%	0.86	81%	0.813	S	S	*	*				-177.8	145.7	109.9	43.4	0	0	0	0	111.2
248	G	22	Very low	25.2	Very low	84 Å²	84	121.2 Å²	121.2	87%	0.866	82%	0.819	S	S	*	*			trans	-98	-179.7	-172.7	0	0	0	0	0	115.5
249	G	22.1	Very low	25.4	Very low	70 Å²	70	120.7 Å²	120.7	72%	0.722	81%	0.813	S	S	*	*			trans	154.3	106.5	162	0	0	0	0	0	116.3
250	L	22.8	Very low	25.7	Very low	183 Å²	183	122.7 Å²	122.7	96%	0.958	82%	0.824	S	S	*	*			trans	68.4	132.3	142.4	-60.2	166.4	0	0	0	121.8
251	A	24.8	Very low	25.8	Very low	91 Å²	91	125 Å²	125	75%	0.752	83%	0.827	S	S	*	*			trans	-77.8	162.1	166.9	0	0	0	0	0	111.7
252	P	28.3	Very low	26	Very low	129 Å²	129	129.2 Å²	129.2	84%	0.838	83%	0.832	S	S	*	*				-139	161.5	77.9	28.9	-8.2	0	0	0	114.7
253	G	25.6	Very low	26	Very low	73 Å²	73	135.9 Å²	135.9	75%	0.753	84%	0.841	S	S	*	*			trans	-77.3	-154	-178.3	0	0	0	0	0	114.8
254	P	35.4	Very low	26.3	Very low	136 Å²	136	140.6 Å²	140.6	88%	0.883	84%	0.843	S	S	*	*			cis	-112.4	140.5	-26.3	35.1	-20.9	0	0	0	110.8
255	G	24.6	Very low	25.9	Very low	74 Å²	74	144.5 Å²	144.5	76%	0.763	85%	0.85	S	S	*	*			trans	-156	119.4	-177.3	0	0	0	0	0	113.6	G257	G255-G257 PolarHBondContact O-N 2.89Å
256	K	29.3	Very low	26	Very low	213 Å²	213	148.1 Å²	148.1	93%	0.926	86%	0.855	S	S	*	*			trans	-36.6	117	172.7	-81.6	166.4	167.9	173	0	112.7
257	G	26	Very low	26.2	Very low	80 Å²	80	147.9 Å²	147.9	83%	0.825	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-65.9	127.5	175.7	0	0	0	0	0	112	G255	G255-G257 PolarHBondContact O-N 2.89Å
258	R	26.5	Very low	26.3	Very low	250 Å²	250	150.7 Å²	150.7	94%	0.943	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-75.6	119.9	179.6	-72.8	173.7	170.2	172.7	-3.5	110.5
259	G	26.9	Very low	26.6	Very low	71 Å²	71	156.1 Å²	156.1	73%	0.732	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-68.8	145.2	170.7	0	0	0	0	0	112.9
260	A	27.9	Very low	26.6	Very low	107 Å²	107	162.2 Å²	162.2	88%	0.884	87%	0.869	S	S	*	*	P	Polyproline II helix	trans	-70.5	128.9	172.6	0	0	0	0	0	110.5	R262	A260-R262 PolarHBondContact O-N 3.42Å
261	K	25.2	Very low	26.7	Very low	213 Å²	213	157.3 Å²	157.3	93%	0.926	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-64.4	124.4	-178.6	-78.3	178	172.5	178.3	0	111.8
262	R	29.1	Very low	26.8	Very low	239 Å²	239	157.5 Å²	157.5	90%	0.902	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-81.7	123.3	168.5	-150.3	175.4	-169.8	-177.5	2.3	108.6	A260	A260-R262 PolarHBondContact O-N 3.42Å
263	K	24.4	Very low	26.6	Very low	210 Å²	210	158.5 Å²	158.5	91%	0.913	87%	0.868	S	S	*	*			trans	-105.8	106.7	170.8	-159	176.9	-176	-178.1	0	107.9
264	Q	27.2	Very low	26.7	Very low	174 Å²	174	160.2 Å²	160.2	81%	0.813	88%	0.875	S	S	*	*	P	Polyproline II helix	trans	-94.4	127.8	179.1	-159.2	172.4	9.6	0	0	107.8
265	Q	25.6	Very low	26.2	Very low	200 Å²	200	157.4 Å²	157.4	94%	0.935	87%	0.871	S	S	*	*	P	Polyproline II helix	trans	-91.3	119.9	166.1	-92.9	177.2	-11.5	0	0	108.3
266	Q	25.8	Very low	26.5	Very low	186 Å²	186	159.1 Å²	159.1	87%	0.869	88%	0.878	S	S	*	*	P	Polyproline II helix	trans	-87.5	132.9	174.8	-140	170.7	20.9	0	0	107.5
267	Q	27	Very low	26.4	Very low	200 Å²	200	153.4 Å²	153.4	94%	0.935	87%	0.871	S	S	*	*			trans	-143	117.2	157.3	-117.5	173.2	19.6	0	0	109.7
268	Q	26.5	Very low	27.1	Very low	181 Å²	181	159.8 Å²	159.8	85%	0.846	88%	0.876	S	S	*	*			trans	-70.7	144.4	169.3	-75.6	165.2	-27.9	0	0	110.4
269	Q	26.9	Very low	27.1	Very low	199 Å²	199	159.1 Å²	159.1	93%	0.93	87%	0.873	S	S	*	*				-163.6	137.5	125.8	-118.8	170.8	6.7	0	0	112.9
270	E	22.5	Very low	27.2	Very low	197 Å²	197	162.7 Å²	162.7	92%	0.921	88%	0.881	S	S	*	*			trans	-77	159.9	177.2	-61.6	168.1	138	0	0	112.3
271	G	25.6	Very low	27.2	Very low	81 Å²	81	168.7 Å²	168.7	84%	0.835	88%	0.881	S	S	*	*			trans	155.4	106.5	162.8	0	0	0	0	0	114.3
272	A	25.9	Very low	27.3	Very low	94 Å²	94	162.2 Å²	162.2	78%	0.777	86%	0.862	S	S	*	*			trans	-78	150.3	178.7	0	0	0	0	0	113.7
273	T	24.7	Very low	27.3	Very low	151 Å²	151	155 Å²	155	93%	0.926	84%	0.842	S	S	*	*			trans	-175.5	142.5	130.9	22.4	0	0	0	0	111.2
274	A	27.7	Very low	27.6	Very low	108 Å²	108	149.7 Å²	149.7	89%	0.893	83%	0.828	S	S	*	*			trans	-77.7	150.2	-173.8	0	0	0	0	0	113.5
275	G	25.1	Very low	28.1	Very low	78 Å²	78	145.7 Å²	145.7	80%	0.804	81%	0.812	S	S	*	*			trans	-178.9	103.5	168.8	0	0	0	0	0	111.2
276	A	31	Very low	28.7	Very low	110 Å²	110	140.7 Å²	140.7	91%	0.909	79%	0.788	S	S	*	*			trans	-70.5	125.9	179.1	0	0	0	0	0	111.8
277	A	26.9	Very low	29.3	Very low	93 Å²	93	135.1 Å²	135.1	77%	0.769	77%	0.769	S	S	*	*			trans	-161.5	116.1	150.9	0	0	0	0	0	109.1	R279	A277-R279 PolarHBondContact O-N 3.33Å; A277-R279 VanDerWaalsContact O-N 3.11Å
278	K	39.8	Very low	29.9	Very low	214 Å²	214	128 Å²	128	93%	0.93	74%	0.744	S	S	*	*			trans	-53.6	110	170.7	-82.1	176.2	169.8	179.5	0	110.2
279	R	27.6	Very low	31.1	Very low	235 Å²	235	124 Å²	124	89%	0.887	73%	0.726	S	S	*	*			trans	-144	122	153.1	-73.1	-164.7	171.6	-175.4	-3.8	108.7	A277 R281	A277-R279 PolarHBondContact O-N 3.33Å; A277-R279 VanDerWaalsContact O-N 3.11Å; R279-R281 PolarHBondContact O-N 3.25Å; R279-R281 VanDerWaalsContact O-N 3.12Å
280	T	28.8	Very low	32.5	Very low	147 Å²	147	125.2 Å²	125.2	90%	0.902	72%	0.722	S	S	*	*			trans	-51.3	105.5	-177.9	-12.3	0	0	0	0	110.5
281	R	28.6	Very low	34.5	Very low	233 Å²	233	118.3 Å²	118.3	88%	0.879	69%	0.691	S	S	*	*			trans	-74.3	118.6	166.6	-105.8	-176.9	175.5	172.1	-1.2	107.1	R279	R279-R281 PolarHBondContact O-N 3.25Å; R279-R281 VanDerWaalsContact O-N 3.12Å
282	S	27.1	Very low	36.3	Very low	77 Å²	77	115.8 Å²	115.8	54%	0.538	66%	0.66	S	S	.	*			trans	-92.2	106	166.7	27.6	0	0	0	0	108.7	Q169	Q169-S282 PolarHBondContact NE2-OG 3.18Å
283	D	28.3	Very low	37.7	Very low	88 Å²	88	115.5 Å²	115.5	47%	0.471	65%	0.65	S	S	.	*			trans	-79.4	156.1	170.3	-121.3	-59.1	0	0	0	110.7	L285 D327	D283-L285 VanDerWaalsContact C-N 3.3Å; D283-L285 PolarHBondContact O-N 3.06Å; D283-D327 WeakPolarHBondContact CB-OD2 3.42Å
284	P	31.6	Very low	39.6	Very low	97 Å²	97	110.4 Å²	110.4	63%	0.63	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	15.7	-162.6	37.4	-32.9	0	0	0	114.5
285	L	36.3	Very low	41.5	Very low	90 Å²	90	105.8 Å²	105.8	47%	0.471	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93	-12.2	169.8	-81.6	165.5	0	0	0	112.9	D283 D327	D283-L285 VanDerWaalsContact C-N 3.3Å; D283-L285 PolarHBondContact O-N 3.06Å; L285-D327 WeakPolarHBondContact CB-OD1 3.46Å; L285-D327 WeakPolarHBondContact CD1-OD1 3.42Å
286	F	38.8	Very low	44.1	Very low	96 Å²	96	102.2 Å²	102.2	42%	0.421	54%	0.541	S	S	.	.	S	Bend	trans	-94.9	-8.1	-178.4	-109.1	-90.1	0	0	0	116.3	A288 L324 E325	F286-A288 VanDerWaalsContact C-N 3.35Å; F286-A288 PolarHBondContact O-N 3.47Å; F286-L324 HydrophobicContact CE1-CD2 3.49Å; F286-L324 VanDerWaalsContact CE1-CD2 3.49Å; F286-L324 HydrophobicContact CE1-CG 4.1Å; F286-L324 HydrophobicContact CE2-CB 4.02Å; F286-L324 HydrophobicContact CE2-CD2 4.14Å; F286-L324 HydrophobicContact CE2-CG 3.8Å; F286-L324 WeakPolarHBondContact CE2-O 3.48Å; F286-L324 HydrophobicContact CZ-CB 3.61Å; F286-L324 HydrophobicContact CZ-CD2 3.26Å; F286-L324 HydrophobicContact CZ-CG 3.39Å; F286-E325 HydrophobicContact CE2-CB 4.25Å; F286-E325 HydrophobicContact CE2-CG 3.77Å; F286-E325 HydrophobicContact CZ-CG 3.8Å
287	S	37.7	Very low	46.6	Very low	69 Å²	69	97 Å²	97	48%	0.483	50%	0.498	S	S	.	.			trans	-87.4	83.5	159	60.4	0	0	0	0	107.6	Q289	S287-Q289 PolarHBondContact O-N 3.21Å
288	A	41	Very low	49.1	Very low	49 Å²	49	99 Å²	99	41%	0.405	50%	0.495	S	S	.	.			trans	-51.3	103.5	133	0	0	0	0	0	103	F286 R290	F286-A288 VanDerWaalsContact C-N 3.35Å; F286-A288 PolarHBondContact O-N 3.47Å; A288-R290 PolarHBondContact O-N 3.28Å
289	Q	51.5	Low	51.2	Low	99 Å²	99	94.3 Å²	94.3	46%	0.463	48%	0.476	S	S	.	.			trans	-46.4	123.4	-177.7	-96.7	171.8	-67.5	0	0	105.6	S287 L291 S482 Y483	S287-Q289 PolarHBondContact O-N 3.21Å; Q289-L291 PolarHBondContact O-N 3.3Å; Q289-S482 PolarHBondContact OE1-OG 2.71Å; Q289-Y483 HydrophobicContact CB-CE1 4.32Å; Q289-Y483 WeakPolarHBondContact CB-OH 3.18Å; Q289-Y483 WeakPolarHBondContact O-CE1 3.23Å; Q289-Y483 PolarHBondContact O-OH 3.49Å
290	R	56.7	Low	54.1	Low	224 Å²	224	83.7 Å²	83.7	85%	0.845	44%	0.437	S	S	*	.			trans	-39.1	119.6	177.9	179.3	179.3	179.5	178.7	0.7	106.7	A288	A288-R290 PolarHBondContact O-N 3.28Å
291	L	63.3	Low	57	Low	51 Å²	51	77.5 Å²	77.5	27%	0.267	40%	0.399	S	S	.	.			trans	-50.6	140.2	-171.6	-75.3	158.7	0	0	0	108.4	Q289 P297 L311 Y344 Y483	Q289-L291 PolarHBondContact O-N 3.3Å; L291-P297 HydrophobicContact CD2-CG 3.96Å; L291-L311 HydrophobicContact CD1-CD2 4.49Å; L291-L311 HydrophobicContact CD2-CD2 3.83Å; L291-Y344 HydrophobicContact CD1-CE1 4.35Å; L291-Y344 WeakPolarHBondContact CD1-OH 3.26Å; L291-Y483 HydrophobicContact CD2-CD1 4.23Å; L291-Y483 HydrophobicContact CD2-CE1 3.74Å; L291-Y483 HydrophobicContact CG-CE1 4.48Å
292	P	63.3	Low	59.8	Low	28 Å²	28	68.7 Å²	68.7	18%	0.182	37%	0.367	C	S	.	.			trans	-47.9	152.1	172	-29.4	35.5	0	0	0	110.5	H294 G295 Y296	P292-H294 VanDerWaalsContact CB-NE2 3.35Å; P292-H294 WeakPolarHBondContact CB-NE2 3.49Å; P292-H294 PolarHBondContact O-N 3.11Å; P292-G295 WeakPolarHBondContact O-CA 3.42Å; P292-G295 PolarHBondContact O-N 2.88Å; P292-Y296 WeakPolarHBondContact CD-O 3.36Å; P292-Y296 WeakPolarHBondContact CG-O 3.24Å
293	P	56.1	Low	62.7	Low	88 Å²	88	66 Å²	66	57%	0.571	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-27.5	-174.6	-29.6	38.2	0	0	0	114.8	Y114 L116 G295	Y114-P293 WeakPolarHBondContact OH-CB 3.31Å; Y114-P293 WeakPolarHBondContact OH-CG 3.44Å; L116-P293 HydrophobicContact CD2-CG 3.34Å; P293-G295 PolarHBondContact O-N 3.03Å; P293-G295 VanDerWaalsContact O-N 3.16Å
294	H	63.8	Low	65.2	Low	44 Å²	44	67.7 Å²	67.7	20%	0.204	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	7.6	173.8	64.3	70.9	0	0	0	114	P292 Y296 L298 R364	P292-H294 VanDerWaalsContact CB-NE2 3.35Å; P292-H294 WeakPolarHBondContact CB-NE2 3.49Å; P292-H294 PolarHBondContact O-N 3.11Å; H294-Y296 PolarHBondContact CE1-O 2.94Å; H294-Y296 PolarHBondContact ND1-N 3.48Å; H294-Y296 PolarHBondContact ND1-O 3.07Å; H294-Y296 PolarHBondContact O-N 3.46Å; H294-L298 WeakPolarHBondContact NE2-CD2 3.08Å; H294-L298 WeakPolarHBondContact NE2-CG 3.38Å; H294-R364 WeakPolarHBondContact O-CD 3.06Å; H294-R364 PolarHBondContact O-NH1 3.23Å
295	G	67.3	Low	67.5	Low	11 Å²	11	69.3 Å²	69.3	11%	0.113	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	50.2	174.6	0	0	0	0	0	112.5	P292 P293 Y344 R364	P292-G295 WeakPolarHBondContact O-CA 3.42Å; P292-G295 PolarHBondContact O-N 2.88Å; P293-G295 PolarHBondContact O-N 3.03Å; P293-G295 VanDerWaalsContact O-N 3.16Å; G295-Y344 WeakPolarHBondContact O-CE1 3.38Å; G295-Y344 WeakPolarHBondContact O-CE2 3.45Å; G295-Y344 PolarHBondContact O-OH 3.26Å; G295-R364 PolarHBondContact O-NH1 3.14Å
296	Y	80.9	Confident	69.9	Low	4 Å²	4	66.5 Å²	66.5	2%	0.016	35%	0.345	C	S	.	.	S	Bend	trans	-171.8	160.2	165.2	-146.1	-105.4	0	0	0	109.5	P292 H294 H300 L311 Y344 L351 H352	P292-Y296 WeakPolarHBondContact CD-O 3.36Å; P292-Y296 WeakPolarHBondContact CG-O 3.24Å; H294-Y296 PolarHBondContact CE1-O 2.94Å; H294-Y296 PolarHBondContact ND1-N 3.48Å; H294-Y296 PolarHBondContact ND1-O 3.07Å; H294-Y296 PolarHBondContact O-N 3.46Å; Y296-H300 HydrophobicContact CD1-CB 4.27Å; Y296-H300 AromaticContact CD1-CG 3.98Å; Y296-H300 AromaticContact CD1-ND1 3.79Å; Y296-H300 HydrophobicContact CE1-CB 3.71Å; Y296-H300 AromaticContact CE1-CG 3.63Å; Y296-H300 AromaticContact CE1-ND1 3.94Å; Y296-L311 HydrophobicContact CD2-CD2 3.96Å; Y296-L311 HydrophobicContact CE2-CB 3.88Å; Y296-L311 HydrophobicContact CE2-CD2 3.74Å; Y296-L311 HydrophobicContact CE2-CG 4.45Å; Y296-Y344 HydrophobicContact CD2-CE2 4.02Å; Y296-L351 VanDerWaalsContact CB-CD1 3.47Å; Y296-L351 HydrophobicContact CD1-CB 3.73Å; Y296-L351 HydrophobicContact CD1-CD1 4.28Å; Y296-L351 HydrophobicContact CE1-CB 4.33Å; Y296-L351 HydrophobicContact CG-CB 4.05Å; Y296-L351 HydrophobicContact CG-CD1 4.12Å; Y296-H352 HydrophobicContact CE1-CB 3.89Å; Y296-H352 AromaticContact CE2-ND1 3.44Å; Y296-H352 WeakPolarHBondContact CE2-ND1 3.48Å; Y296-H352 AromaticContact CZ-CG 3.74Å; Y296-H352 AromaticContact CZ-ND1 3.27Å; Y296-H352 VanDerWaalsContact CZ-ND1 3.27Å; Y296-H352 WeakPolarHBondContact OH-CB 3.42Å; Y296-H352 PolarHBondContact OH-ND1 3.38Å; Y296-H352 VanDerWaalsContact OH-ND1 3.08Å
297	P	83.8	Confident	72.3	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.006	34%	0.34	C	S	.	.			trans	-68.3	132.2	168.2	-27.1	40.1	0	0	0	112.1	L291 E299 H300 L311 Y483 Y485	L291-P297 HydrophobicContact CD2-CG 3.96Å; P297-E299 PolarHBondContact O-N 2.82Å; P297-H300 PolarHBondContact O-ND1 2.85Å; P297-L311 HydrophobicContact CG-CD1 3.97Å; P297-L311 HydrophobicContact CG-CD2 4.49Å; P297-Y483 HydrophobicContact CB-CD2 3.62Å; P297-Y483 HydrophobicContact CB-CE2 3.63Å; P297-Y483 HydrophobicContact CB-CG 4.14Å; P297-Y483 HydrophobicContact CG-CD1 3.63Å; P297-Y483 HydrophobicContact CG-CD2 3.5Å; P297-Y483 VanDerWaalsContact CG-CD2 3.5Å; P297-Y483 HydrophobicContact CG-CE1 3.79Å; P297-Y483 HydrophobicContact CG-CE2 3.68Å; P297-Y483 HydrophobicContact CG-CG 3.48Å; P297-Y483 VanDerWaalsContact CG-CG 3.48Å; P297-Y485 WeakPolarHBondContact CG-OH 3.38Å
298	L	78.1	Confident	74.8	Confident	135 Å²	135	64.2 Å²	64.2	71%	0.707	32%	0.324	S	S	*	.	S	Bend	trans	-57.6	-40.9	175.3	-77.5	173.1	0	0	0	112	H294 H300	H294-L298 WeakPolarHBondContact NE2-CD2 3.08Å; H294-L298 WeakPolarHBondContact NE2-CG 3.38Å; L298-H300 PolarHBondContact O-ND1 2.87Å
299	E	83.8	Confident	77.3	Confident	115 Å²	115	63.4 Å²	63.4	54%	0.537	31%	0.311	S	S	.	.	S	Bend	trans	-107	117.9	173.2	-68.2	-169.3	-111.3	0	0	109.4	P297 F480 K481	P297-E299 PolarHBondContact O-N 2.82Å; E299-F480 HydrophobicContact CB-CE1 4.42Å; E299-K481 HydrophobicContact CB-CD 3.99Å; E299-K481 VanDerWaalsContact CD-CE 3.44Å; E299-K481 IonicContact OE1-NZ 3.89Å; E299-K481 PolarHBondContact OE1-NZ 3.5Å; E299-K481 WeakPolarHBondContact OE2-CE 3.48Å; E299-K481 IonicContact OE2-NZ 2.67Å; E299-K481 PolarHBondContact OE2-NZ 2.98Å
300	H	88.4	Confident	79.3	Confident	12 Å²	12	59.8 Å²	59.8	6%	0.056	29%	0.294	C	S	.	.			trans	-144.3	154.1	-176.1	49.6	-88.7	0	0	0	109.5	Y296 P297 L298 F302 L351 Y485	Y296-H300 HydrophobicContact CD1-CB 4.27Å; Y296-H300 AromaticContact CD1-CG 3.98Å; Y296-H300 AromaticContact CD1-ND1 3.79Å; Y296-H300 HydrophobicContact CE1-CB 3.71Å; Y296-H300 AromaticContact CE1-CG 3.63Å; Y296-H300 AromaticContact CE1-ND1 3.94Å; P297-H300 PolarHBondContact O-ND1 2.85Å; L298-H300 PolarHBondContact O-ND1 2.87Å; H300-F302 AromaticContact NE2-CE1 3.51Å; H300-F302 AromaticContact NE2-CZ 3.59Å; H300-L351 PolarHBondContact NE2-O 3.13Å; H300-Y485 HydrophobicContact CB-CE1 4.31Å; H300-Y485 WeakPolarHBondContact CB-OH 3.36Å
301	P	90	Very high	81	Confident	17 Å²	17	49.4 Å²	49.4	11%	0.11	26%	0.255	C	S	.	.			trans	-66.5	133.2	166.9	30.9	-34.4	0	0	0	109.5	Y309 Y485	P301-Y309 HydrophobicContact CB-CD1 4.05Å; P301-Y309 HydrophobicContact CB-CD2 3.7Å; P301-Y309 HydrophobicContact CB-CE1 4.41Å; P301-Y309 HydrophobicContact CB-CE2 4.08Å; P301-Y309 HydrophobicContact CB-CG 3.67Å; P301-Y309 HydrophobicContact CG-CD1 3.95Å; P301-Y309 HydrophobicContact CG-CD2 4.19Å; P301-Y309 HydrophobicContact CG-CG 3.66Å; P301-Y485 HydrophobicContact CG-CD1 3.99Å; P301-Y485 HydrophobicContact CG-CD2 4.06Å; P301-Y485 HydrophobicContact CG-CE1 4.13Å; P301-Y485 HydrophobicContact CG-CE2 4.21Å; P301-Y485 HydrophobicContact CG-CG 3.96Å
302	F	87.3	Confident	82.4	Confident	47 Å²	47	47.3 Å²	47.3	21%	0.206	25%	0.245	C	C	.	.			trans	-86.2	147.4	174.7	-72.6	-88.5	0	0	0	110.4	H300 K304 Y309 R354 P356	H300-F302 AromaticContact NE2-CE1 3.51Å; H300-F302 AromaticContact NE2-CZ 3.59Å; F302-K304 PolarHBondContact O-N 3Å; F302-K304 VanDerWaalsContact O-N 3.1Å; F302-Y309 WeakPolarHBondContact O-CD2 3.4Å; F302-R354 HydrophobicContact CD1-CG 4.29Å; F302-R354 WeakPolarHBondContact CD1-O 3.38Å; F302-R354 HydrophobicContact CE1-CG 3.92Å; F302-P356 HydrophobicContact CB-CG 4.28Å; F302-P356 HydrophobicContact CD1-CB 4.39Å; F302-P356 HydrophobicContact CD1-CG 3.9Å; F302-P356 HydrophobicContact CD2-CB 4.34Å; F302-P356 HydrophobicContact CD2-CG 3.96Å; F302-P356 HydrophobicContact CE1-CB 4.16Å; F302-P356 HydrophobicContact CE1-CG 4.19Å; F302-P356 HydrophobicContact CE2-CB 4.11Å; F302-P356 HydrophobicContact CE2-CG 4.24Å; F302-P356 HydrophobicContact CG-CB 4.47Å; F302-P356 HydrophobicContact CG-CG 3.78Å; F302-P356 HydrophobicContact CZ-CB 4.02Å; F302-P356 HydrophobicContact CZ-CG 4.34Å
303	N	87.8	Confident	83.5	Confident	20 Å²	20	48.3 Å²	48.3	11%	0.107	25%	0.248	C	C	.	.	S	Bend	trans	-64.6	109.6	169.4	-67.4	-10.3	0	0	0	109.4	Y307 R308 Y309 H352 D353 L413	N303-Y307 WeakPolarHBondContact CA-O 3.11Å; N303-R308 HydrophobicContact CB-CG 4.37Å; N303-R308 WeakPolarHBondContact OD1-CA 3.4Å; N303-Y309 PolarHBondContact OD1-N 3.46Å; N303-H352 PolarHBondContact N-O 3.39Å; N303-D353 PolarHBondContact ND2-OD1 3.13Å; N303-L413 HydrophobicContact CB-CD1 4.06Å
304	K	81.6	Confident	85	Confident	125 Å²	125	46.4 Å²	46.4	54%	0.543	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-158.8	165.5	-176	69.4	172.7	-172.8	157.2	0	111.6	F302 G306 Y307	F302-K304 PolarHBondContact O-N 3Å; F302-K304 VanDerWaalsContact O-N 3.1Å; K304-G306 PolarHBondContact O-N 2.9Å; K304-Y307 PolarHBondContact N-O 2.83Å; K304-Y307 VanDerWaalsContact N-O 3.12Å; K304-Y307 PolarHBondContact O-N 3.38Å
305	D	80.8	Confident	86.2	Confident	131 Å²	131	44.6 Å²	44.6	70%	0.701	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	27.8	171.2	-53.9	-40	0	0	0	114	Y307	D305-Y307 WeakPolarHBondContact O-CD2 3.24Å
306	G	85.1	Confident	86.9	Confident	30 Å²	30	48 Å²	48	31%	0.309	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	22.9	-178.3	0	0	0	0	0	114.4	K304 D490	K304-G306 PolarHBondContact O-N 2.9Å; G306-D490 PolarHBondContact O-N 3.39Å
307	Y	89.8	Confident	87	Confident	80 Å²	80	51.9 Å²	51.9	31%	0.314	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.9	172.6	-68.4	-91	0	0	0	111.1	N303 K304 D305 E487 E488 K489	N303-Y307 WeakPolarHBondContact CA-O 3.11Å; K304-Y307 PolarHBondContact N-O 2.83Å; K304-Y307 VanDerWaalsContact N-O 3.12Å; K304-Y307 PolarHBondContact O-N 3.38Å; D305-Y307 WeakPolarHBondContact O-CD2 3.24Å; Y307-E487 HydrophobicContact CD1-CG 3.81Å; Y307-E487 HydrophobicContact CE1-CG 4.47Å; Y307-E488 CarbonylContact C-O 3.55Å; Y307-E488 WeakPolarHBondContact CA-O 2.95Å; Y307-K489 HydrophobicContact CD1-CB 4.22Å; Y307-K489 HydrophobicContact CD1-CG 4.5Å; Y307-K489 HydrophobicContact CE1-CB 3.96Å; Y307-K489 HydrophobicContact CE1-CD 4.36Å; Y307-K489 HydrophobicContact CE1-CG 4.06Å
308	R	91.3	Very high	87	Confident	37 Å²	37	52.2 Å²	52.2	14%	0.14	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	140.6	170.5	-76	-173.3	-76	128.8	4.2	110.3	N303 I310 E488 D490	N303-R308 HydrophobicContact CB-CG 4.37Å; N303-R308 WeakPolarHBondContact OD1-CA 3.4Å; R308-I310 HydrophobicContact CB-CD1 4.37Å; R308-E488 IonicContact CZ-OE1 2.84Å; R308-E488 IonicContact CZ-OE2 3.67Å; R308-E488 PolarHBondContact N-O 2.96Å; R308-E488 IonicContact NE-OE2 2.78Å; R308-E488 IonicContact NH1-OE2 3.74Å; R308-E488 PolarHBondContact NH1-OE2 2.88Å; R308-E488 IonicContact NH2-OE1 3.4Å; R308-E488 PolarHBondContact NH2-OE1 3.24Å; R308-E488 IonicContact NH2-OE2 2.67Å; R308-E488 PolarHBondContact NH2-OE2 2.8Å; R308-E488 PolarHBondContact O-N 3.02Å; R308-D490 IonicContact CZ-OD1 3.76Å; R308-D490 IonicContact NE-OD1 3.92Å; R308-D490 PolarHBondContact NE-OD1 2.74Å; R308-D490 IonicContact NH2-OD1 3.84Å; R308-D490 PolarHBondContact NH2-OD1 2.91Å
309	Y	92.9	Very high	86.9	Confident	32 Å²	32	49.7 Å²	49.7	13%	0.125	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	112.7	179.8	-61.2	-76.7	0	0	0	109.5	P301 F302 N303 I478 F486 E487	P301-Y309 HydrophobicContact CB-CD1 4.05Å; P301-Y309 HydrophobicContact CB-CD2 3.7Å; P301-Y309 HydrophobicContact CB-CE1 4.41Å; P301-Y309 HydrophobicContact CB-CE2 4.08Å; P301-Y309 HydrophobicContact CB-CG 3.67Å; P301-Y309 HydrophobicContact CG-CD1 3.95Å; P301-Y309 HydrophobicContact CG-CD2 4.19Å; P301-Y309 HydrophobicContact CG-CG 3.66Å; F302-Y309 WeakPolarHBondContact O-CD2 3.4Å; N303-Y309 PolarHBondContact OD1-N 3.46Å; Y309-I478 HydrophobicContact CD1-CD1 3.69Å; Y309-I478 HydrophobicContact CD1-CG1 4.43Å; Y309-I478 HydrophobicContact CE1-CD1 3.46Å; Y309-I478 VanDerWaalsContact CE1-CD1 3.46Å; Y309-I478 HydrophobicContact CE1-CG1 4.49Å; Y309-F486 WeakPolarHBondContact CA-O 3.32Å; Y309-E487 HydrophobicContact CD1-CB 4.33Å; Y309-E487 HydrophobicContact CD1-CG 4.31Å; Y309-E487 HydrophobicContact CE1-CB 4.14Å; Y309-E487 HydrophobicContact CE1-CG 3.73Å; Y309-E487 WeakPolarHBondContact CE1-OE1 3.38Å; Y309-E487 PolarHBondContact OH-OE1 3.41Å
310	I	93.2	Very high	86.5	Confident	24 Å²	24	47.2 Å²	47.2	12%	0.123	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	119.8	-179.4	-53.9	89.5	0	0	0	107.5	R308 A312 A341 Y472 Y485 F486 E488	R308-I310 HydrophobicContact CB-CD1 4.37Å; I310-A312 PolarHBondContact O-N 2.81Å; I310-A341 HydrophobicContact CG2-CB 3.83Å; I310-Y472 HydrophobicContact CD1-CD1 3.95Å; I310-Y472 HydrophobicContact CD1-CE1 3.85Å; I310-Y472 HydrophobicContact CG1-CD1 4.43Å; I310-Y472 HydrophobicContact CG1-CE1 4.13Å; I310-Y472 HydrophobicContact CG1-CE2 4.39Å; I310-Y472 HydrophobicContact CG2-CD2 4.4Å; I310-Y472 HydrophobicContact CG2-CE2 4.3Å; I310-Y485 CarbonylContact O-C 3.44Å; I310-Y485 WeakPolarHBondContact O-CA 3.37Å; I310-F486 HydrophobicContact CB-CB 4.23Å; I310-F486 HydrophobicContact CB-CD2 4.42Å; I310-F486 HydrophobicContact CD1-CB 4.31Å; I310-F486 PolarHBondContact N-O 3.41Å; I310-F486 PolarHBondContact O-N 3.36Å; I310-E488 HydrophobicContact CD1-CB 4.28Å
311	L	92.9	Very high	85.5	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.026	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	130.3	177.4	179.5	66.9	0	0	0	109.8	L291 Y296 P297 C342 Y483 Y485	L291-L311 HydrophobicContact CD1-CD2 4.49Å; L291-L311 HydrophobicContact CD2-CD2 3.83Å; Y296-L311 HydrophobicContact CD2-CD2 3.96Å; Y296-L311 HydrophobicContact CE2-CB 3.88Å; Y296-L311 HydrophobicContact CE2-CD2 3.74Å; Y296-L311 HydrophobicContact CE2-CG 4.45Å; P297-L311 HydrophobicContact CG-CD1 3.97Å; P297-L311 HydrophobicContact CG-CD2 4.49Å; L311-C342 HydrophobicContact CB-CB 4.14Å; L311-C342 HydrophobicContact CD2-CB 3.79Å; L311-C342 HydrophobicContact CG-CB 3.72Å; L311-C342 WeakPolarHBondContact O-CB 3.46Å; L311-C342 PolarHBondContact O-N 3.45Å; L311-Y483 HydrophobicContact CD1-CD1 4.35Å; L311-Y485 HydrophobicContact CB-CD1 4.19Å; L311-Y485 HydrophobicContact CB-CE1 4.05Å; L311-Y485 HydrophobicContact CD1-CD1 4.23Å; L311-Y485 HydrophobicContact CD1-CE1 3.67Å; L311-Y485 HydrophobicContact CG-CE1 4.48Å
312	A	91.8	Very high	84.5	Confident	7 Å²	7	56.8 Å²	56.8	6%	0.058	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	143.3	-179.2	0	0	0	0	0	110.9	I310 R340 L477 L484 F486	I310-A312 PolarHBondContact O-N 2.81Å; A312-R340 WeakPolarHBondContact CA-O 3.36Å; A312-L477 HydrophobicContact CB-CD2 4.36Å; A312-L484 HydrophobicContact CB-CB 4.16Å; A312-L484 PolarHBondContact N-O 3.02Å; A312-F486 HydrophobicContact CB-CD2 3.79Å; A312-F486 HydrophobicContact CB-CE2 3.56Å; A312-F486 HydrophobicContact CB-CZ 4.2Å
313	E	88	Confident	83.6	Confident	49 Å²	49	58.7 Å²	58.7	23%	0.229	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	155.3	170.4	63.6	178.2	-149.7	0	0	110.2	D315 Y339 R340 C342	E313-D315 PolarHBondContact O-N 3.14Å; E313-Y339 CarbonylContact O-C 3.56Å; E313-Y339 VanDerWaalsContact O-CA 3.29Å; E313-Y339 WeakPolarHBondContact O-CA 3.4Å; E313-Y339 WeakPolarHBondContact O-CB 3.41Å; E313-R340 HydrophobicContact CG-CG 3.83Å; E313-R340 PolarHBondContact N-O 3.47Å; E313-R340 PolarHBondContact O-N 3.33Å; E313-R340 IonicContact OE1-CZ 3.3Å; E313-R340 VanDerWaalsContact OE1-CZ 3.26Å; E313-R340 IonicContact OE1-NE 3.53Å; E313-R340 PolarHBondContact OE1-NE 3.49Å; E313-R340 IonicContact OE1-NH2 3.13Å; E313-R340 PolarHBondContact OE1-NH2 3.04Å; E313-C342 HydrophobicContact CB-CB 4.18Å; E313-C342 HydrophobicContact CG-CB 4.05Å; E313-C342 PolarHBondContact OE2-SG 2.98Å
314	P	86.9	Confident	82.5	Confident	49 Å²	49	58.9 Å²	58.9	32%	0.318	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.8	132.7	170.6	-31.4	39.4	0	0	0	112	P316 L324 Y339	P314-P316 WeakPolarHBondContact O-CD 3.26Å; P314-L324 HydrophobicContact CB-CD2 3.63Å; P314-L324 HydrophobicContact CG-CD2 4.03Å; P314-Y339 HydrophobicContact CG-CE1 4.23Å
315	D	88	Confident	81.3	Confident	6 Å²	6	59.4 Å²	59.4	3%	0.032	31%	0.314	C	S	.	.			trans	-85.2	114	175.3	-178.9	7.3	0	0	0	110.1	E313 H317 A318 L338 R340 K473 H579	E313-D315 PolarHBondContact O-N 3.14Å; D315-H317 PolarHBondContact O-N 2.8Å; D315-H317 IonicContact OD1-CG 2.67Å; D315-H317 PolarHBondContact OD1-N 2.93Å; D315-H317 IonicContact OD1-ND1 2.73Å; D315-A318 HydrophobicContact CB-CB 4.22Å; D315-A318 WeakPolarHBondContact O-CB 3.45Å; D315-A318 PolarHBondContact O-N 2.85Å; D315-L338 PolarHBondContact N-O 2.83Å; D315-R340 HydrophobicContact CB-CB 4.12Å; D315-R340 HydrophobicContact CB-CG 4.12Å; D315-K473 IonicContact OD2-NZ 2.87Å; D315-K473 PolarHBondContact OD2-NZ 3.37Å; D315-H579 IonicContact OD2-CD2 3.49Å; D315-H579 IonicContact OD2-CE1 3.7Å; D315-H579 IonicContact OD2-NE2 3.34Å; D315-H579 PolarHBondContact OD2-NE2 3.4Å
316	P	83.1	Confident	80.1	Confident	83 Å²	83	58 Å²	58	54%	0.539	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.4	178.5	29.1	-36.3	0	0	0	113.4	P314 R340	P314-P316 WeakPolarHBondContact O-CD 3.26Å; P316-R340 VanDerWaalsContact CD-CZ 3.42Å
317	H	82.7	Confident	78.6	Confident	85 Å²	85	59.7 Å²	59.7	39%	0.394	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	5.9	-179.8	-47.8	116.3	0	0	0	113.1	D315	D315-H317 PolarHBondContact O-N 2.8Å; D315-H317 IonicContact OD1-CG 2.67Å; D315-H317 PolarHBondContact OD1-N 2.93Å; D315-H317 IonicContact OD1-ND1 2.73Å
318	A	84.1	Confident	76.9	Confident	7 Å²	7	59.2 Å²	59.2	6%	0.058	32%	0.316	C	S	.	.			trans	-61.3	139.8	175.9	0	0	0	0	0	110.8	D315 D320 P321 L338	D315-A318 HydrophobicContact CB-CB 4.22Å; D315-A318 WeakPolarHBondContact O-CB 3.45Å; D315-A318 PolarHBondContact O-N 2.85Å; A318-D320 VanDerWaalsContact C-N 3.27Å; A318-D320 PolarHBondContact O-N 3.12Å; A318-P321 WeakPolarHBondContact O-CD 3.31Å; A318-L338 HydrophobicContact CB-CD2 4.04Å
319	P	75.3	Confident	75.4	Confident	83 Å²	83	61.2 Å²	61.2	54%	0.539	32%	0.323	S	S	.	.	S	Bend	trans	-66.2	-24.7	-171.5	23.1	-33.6	0	0	0	114.3
320	D	74.8	Confident	73.8	Confident	62 Å²	62	64.7 Å²	64.7	33%	0.332	36%	0.358	S	S	.	.			trans	-127.3	70	-179.7	-66.2	-59.5	0	0	0	110.6	A318 E322 K323	A318-D320 VanDerWaalsContact C-N 3.27Å; A318-D320 PolarHBondContact O-N 3.12Å; D320-E322 PolarHBondContact O-N 2.78Å; D320-E322 VanDerWaalsContact O-N 3.15Å; D320-K323 HydrophobicContact CB-CB 4.27Å; D320-K323 HydrophobicContact CB-CD 3.59Å; D320-K323 HydrophobicContact CB-CG 3.8Å; D320-K323 WeakPolarHBondContact O-CB 3.37Å; D320-K323 PolarHBondContact O-N 3.21Å; D320-K323 VanDerWaalsContact OD2-CE 3.26Å; D320-K323 WeakPolarHBondContact OD2-CE 3.37Å; D320-K323 IonicContact OD2-NZ 2.65Å; D320-K323 PolarHBondContact OD2-NZ 3.11Å
321	P	68.1	Low	72.3	Confident	76 Å²	76	67.1 Å²	67.1	49%	0.494	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-62.4	-25.9	-176.6	27	-33.7	0	0	0	112	A318 K323 L324	A318-P321 WeakPolarHBondContact O-CD 3.31Å; P321-K323 VanDerWaalsContact C-N 3.26Å; P321-K323 PolarHBondContact O-N 3.01Å; P321-L324 WeakPolarHBondContact O-CB 3.24Å; P321-L324 PolarHBondContact O-N 3.4Å; P321-L324 VanDerWaalsContact O-N 3.11Å
322	E	68.6	Low	71.3	Confident	155 Å²	155	72.9 Å²	72.9	72%	0.724	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-64.5	-26.1	174.6	-59.5	-178.9	179.8	0	0	112.9	D320 L324 E325	D320-E322 PolarHBondContact O-N 2.78Å; D320-E322 VanDerWaalsContact O-N 3.15Å; E322-L324 PolarHBondContact O-N 2.93Å; E322-E325 WeakPolarHBondContact O-CB 3.44Å; E322-E325 PolarHBondContact O-N 2.91Å
323	K	68.3	Low	70.5	Confident	87 Å²	87	76.3 Å²	76.3	38%	0.378	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-67.3	-22	174.5	-73.8	179.4	-174	163.5	0	112.8	D320 P321 E325 L326 L338	D320-K323 HydrophobicContact CB-CB 4.27Å; D320-K323 HydrophobicContact CB-CD 3.59Å; D320-K323 HydrophobicContact CB-CG 3.8Å; D320-K323 WeakPolarHBondContact O-CB 3.37Å; D320-K323 PolarHBondContact O-N 3.21Å; D320-K323 VanDerWaalsContact OD2-CE 3.26Å; D320-K323 WeakPolarHBondContact OD2-CE 3.37Å; D320-K323 IonicContact OD2-NZ 2.65Å; D320-K323 PolarHBondContact OD2-NZ 3.11Å; P321-K323 VanDerWaalsContact C-N 3.26Å; P321-K323 PolarHBondContact O-N 3.01Å; K323-E325 PolarHBondContact O-N 3.04Å; K323-L326 PolarHBondContact O-N 3.44Å; K323-L338 HydrophobicContact CB-CD1 3.95Å
324	L	65.6	Low	70.1	Confident	24 Å²	24	76 Å²	76	13%	0.126	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-64.9	-34.1	172.9	-159.7	74.2	0	0	0	109.8	F286 P314 P321 E322 L338 Y339	F286-L324 HydrophobicContact CE1-CD2 3.49Å; F286-L324 VanDerWaalsContact CE1-CD2 3.49Å; F286-L324 HydrophobicContact CE1-CG 4.1Å; F286-L324 HydrophobicContact CE2-CB 4.02Å; F286-L324 HydrophobicContact CE2-CD2 4.14Å; F286-L324 HydrophobicContact CE2-CG 3.8Å; F286-L324 WeakPolarHBondContact CE2-O 3.48Å; F286-L324 HydrophobicContact CZ-CB 3.61Å; F286-L324 HydrophobicContact CZ-CD2 3.26Å; F286-L324 HydrophobicContact CZ-CG 3.39Å; P314-L324 HydrophobicContact CB-CD2 3.63Å; P314-L324 HydrophobicContact CG-CD2 4.03Å; P321-L324 WeakPolarHBondContact O-CB 3.24Å; P321-L324 PolarHBondContact O-N 3.4Å; P321-L324 VanDerWaalsContact O-N 3.11Å; E322-L324 PolarHBondContact O-N 2.93Å; L324-L338 HydrophobicContact CD1-CB 4.07Å; L324-L338 HydrophobicContact CD1-CD1 4.49Å; L324-Y339 HydrophobicContact CD1-CE1 4.01Å; L324-Y339 HydrophobicContact CD1-CE2 3.86Å; L324-Y339 WeakPolarHBondContact CD1-OH 3.46Å
325	E	55.8	Low	69.9	Low	136 Å²	136	75 Å²	75	64%	0.636	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-77.8	-10.6	-179.5	-60.1	-170.1	166.8	0	0	114.6	F286 E322 K323 D327	F286-E325 HydrophobicContact CE2-CB 4.25Å; F286-E325 HydrophobicContact CE2-CG 3.77Å; F286-E325 HydrophobicContact CZ-CG 3.8Å; E322-E325 WeakPolarHBondContact O-CB 3.44Å; E322-E325 PolarHBondContact O-N 2.91Å; K323-E325 PolarHBondContact O-N 3.04Å; E325-D327 PolarHBondContact O-N 3Å; E325-D327 VanDerWaalsContact O-N 3.14Å
326	L	55.5	Low	69.8	Low	101 Å²	101	75.1 Å²	75.1	53%	0.529	43%	0.431	S	S	.	.			trans	-80.8	94.5	176.5	-84.1	127.1	0	0	0	110.9	K323 C328	K323-L326 PolarHBondContact O-N 3.44Å; L326-C328 PolarHBondContact O-N 3.1Å
327	D	53.3	Low	70	Confident	65 Å²	65	73.4 Å²	73.4	35%	0.348	42%	0.417	S	S	.	.			trans	-64.8	55.8	176.9	-80.2	-46.5	0	0	0	115.6	D283 L285 E325	D283-D327 WeakPolarHBondContact CB-OD2 3.42Å; L285-D327 WeakPolarHBondContact CB-OD1 3.46Å; L285-D327 WeakPolarHBondContact CD1-OD1 3.42Å; E325-D327 PolarHBondContact O-N 3Å; E325-D327 VanDerWaalsContact O-N 3.14Å
328	C	55.5	Low	70.2	Confident	71 Å²	71	69.6 Å²	69.6	48%	0.48	40%	0.4	S	S	.	.			trans	-139.7	29.6	-179.3	61.6	0	0	0	0	115.9	L326 A330	L326-C328 PolarHBondContact O-N 3.1Å; C328-A330 PolarHBondContact O-N 3.12Å
329	W	59.2	Low	70.4	Confident	79 Å²	79	70.3 Å²	70.3	30%	0.299	40%	0.401	S	S	.	.			trans	-80.4	9.5	170.2	-50	113.6	0	0	0	114	G331 K332 I334 P335	W329-G331 PolarHBondContact O-N 3.09Å; W329-K332 HydrophobicContact CE3-CB 4.12Å; W329-K332 PolarHBondContact O-N 2.91Å; W329-K332 VanDerWaalsContact O-O 3.08Å; W329-I334 HydrophobicContact CB-CG1 4.44Å; W329-P335 HydrophobicContact CD2-CG 4.27Å; W329-P335 HydrophobicContact CE3-CG 4.24Å; W329-P335 HydrophobicContact CH2-CG 3.48Å; W329-P335 VanDerWaalsContact CH2-CG 3.48Å; W329-P335 HydrophobicContact CZ2-CG 3.49Å; W329-P335 VanDerWaalsContact CZ2-CG 3.49Å; W329-P335 HydrophobicContact CZ3-CG 3.86Å
330	A	58.3	Low	71.2	Confident	104 Å²	104	68.6 Å²	68.6	86%	0.86	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	101.9	176.2	0	0	0	0	0	110.9	C328	C328-A330 PolarHBondContact O-N 3.12Å
331	G	62.9	Low	72	Confident	75 Å²	75	65.9 Å²	65.9	77%	0.773	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	3.3	-177.9	0	0	0	0	0	115	W329	W329-G331 PolarHBondContact O-N 3.09Å
332	K	71.3	Confident	73	Confident	126 Å²	126	63 Å²	63	55%	0.548	35%	0.351	S	S	.	.	S	Bend	trans	-111.8	152.6	172.3	-66.9	-177.8	179	-178.7	0	110.4	W329 I334	W329-K332 HydrophobicContact CE3-CB 4.12Å; W329-K332 PolarHBondContact O-N 2.91Å; W329-K332 VanDerWaalsContact O-O 3.08Å; K332-I334 PolarHBondContact O-N 2.97Å
333	P	74.1	Confident	73.5	Confident	79 Å²	79	58 Å²	58	51%	0.513	33%	0.33	S	S	.	.			trans	-56.8	137.8	170.2	-22.6	33.6	0	0	0	111.1	W592	P333-W592 HydrophobicContact CG-CD2 4.33Å
334	I	80.7	Confident	74.1	Confident	42 Å²	42	55.9 Å²	55.9	22%	0.215	32%	0.32	C	S	.	.			trans	-73.9	128	173.6	-59.9	172.7	0	0	0	107.5	W329 K332 G336 Y339 L477 L484	W329-I334 HydrophobicContact CB-CG1 4.44Å; K332-I334 PolarHBondContact O-N 2.97Å; I334-G336 PolarHBondContact O-N 2.81Å; I334-Y339 HydrophobicContact CG2-CD2 4.31Å; I334-Y339 HydrophobicContact CG2-CE2 3.62Å; I334-L477 HydrophobicContact CB-CB 4.01Å; I334-L477 HydrophobicContact CD1-CB 4.49Å; I334-L477 HydrophobicContact CG2-CB 4.13Å; I334-L477 HydrophobicContact CG2-CD2 3.91Å; I334-L484 HydrophobicContact CD1-CD2 3.59Å
335	P	82.8	Confident	74.9	Confident	29 Å²	29	59.9 Å²	59.9	19%	0.188	34%	0.338	C	S	.	.			trans	-67.1	115.5	-179.3	-15.5	28.4	0	0	0	110.8	W329 D337 L338 Y339	W329-P335 HydrophobicContact CD2-CG 4.27Å; W329-P335 HydrophobicContact CE3-CG 4.24Å; W329-P335 HydrophobicContact CH2-CG 3.48Å; W329-P335 VanDerWaalsContact CH2-CG 3.48Å; W329-P335 HydrophobicContact CZ2-CG 3.49Å; W329-P335 VanDerWaalsContact CZ2-CG 3.49Å; W329-P335 HydrophobicContact CZ3-CG 3.86Å; P335-D337 WeakPolarHBondContact CB-OD1 3.47Å; P335-L338 HydrophobicContact CB-CD1 3.97Å; P335-L338 HydrophobicContact CB-CG 4.09Å; P335-L338 HydrophobicContact CG-CD1 4.04Å; P335-Y339 VanDerWaalsContact O-CD2 3.3Å; P335-Y339 WeakPolarHBondContact O-CD2 3.45Å
336	G	85.4	Confident	76.4	Confident	8 Å²	8	59.9 Å²	59.9	8%	0.082	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-75.8	-22.2	-175.8	0	0	0	0	0	114.8	I334 L338 Y339 K473	I334-G336 PolarHBondContact O-N 2.81Å; G336-L338 PolarHBondContact O-N 2.91Å; G336-Y339 PolarHBondContact O-N 3.09Å; G336-Y339 VanDerWaalsContact O-N 3.11Å; G336-Y339 VanDerWaalsContact O-O 3.08Å; G336-K473 CarbonylContact C-O 3.6Å; G336-K473 VanDerWaalsContact C-O 3.28Å; G336-K473 WeakPolarHBondContact CA-O 3.21Å
337	D	86.7	Confident	78.3	Confident	47 Å²	47	55.5 Å²	55.5	25%	0.251	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-59.7	-31.9	173.7	56.7	-36.7	0	0	0	112.7	P335 Y339 K473 Y578 H579	P335-D337 WeakPolarHBondContact CB-OD1 3.47Å; D337-Y339 PolarHBondContact O-N 2.91Å; D337-K473 PolarHBondContact N-O 2.89Å; D337-K473 PolarHBondContact O-NZ 2.85Å; D337-Y578 HydrophobicContact CB-CE1 4.26Å; D337-H579 PolarHBondContact O-CE1 2.78Å; D337-H579 VanDerWaalsContact O-CE1 3.23Å
338	L	87.4	Confident	80.2	Confident	5 Å²	5	53.2 Å²	53.2	3%	0.026	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-75.5	-4.7	177.8	-58	179.6	0	0	0	114.4	D315 A318 K323 L324 P335 G336	D315-L338 PolarHBondContact N-O 2.83Å; A318-L338 HydrophobicContact CB-CD2 4.04Å; K323-L338 HydrophobicContact CB-CD1 3.95Å; L324-L338 HydrophobicContact CD1-CB 4.07Å; L324-L338 HydrophobicContact CD1-CD1 4.49Å; P335-L338 HydrophobicContact CB-CD1 3.97Å; P335-L338 HydrophobicContact CB-CG 4.09Å; P335-L338 HydrophobicContact CG-CD1 4.04Å; G336-L338 PolarHBondContact O-N 2.91Å
339	Y	89.4	Confident	82.2	Confident	23 Å²	23	50 Å²	50	9%	0.09	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	161.6	-176.8	-65.3	-92.5	0	0	0	110.9	E313 P314 L324 I334 P335 G336 D337 K473 L477 L484	E313-Y339 CarbonylContact O-C 3.56Å; E313-Y339 VanDerWaalsContact O-CA 3.29Å; E313-Y339 WeakPolarHBondContact O-CA 3.4Å; E313-Y339 WeakPolarHBondContact O-CB 3.41Å; P314-Y339 HydrophobicContact CG-CE1 4.23Å; L324-Y339 HydrophobicContact CD1-CE1 4.01Å; L324-Y339 HydrophobicContact CD1-CE2 3.86Å; L324-Y339 WeakPolarHBondContact CD1-OH 3.46Å; I334-Y339 HydrophobicContact CG2-CD2 4.31Å; I334-Y339 HydrophobicContact CG2-CE2 3.62Å; P335-Y339 VanDerWaalsContact O-CD2 3.3Å; P335-Y339 WeakPolarHBondContact O-CD2 3.45Å; G336-Y339 PolarHBondContact O-N 3.09Å; G336-Y339 VanDerWaalsContact O-N 3.11Å; G336-Y339 VanDerWaalsContact O-O 3.08Å; D337-Y339 PolarHBondContact O-N 2.91Å; Y339-K473 PolarHBondContact O-NZ 3.25Å; Y339-L477 HydrophobicContact CD1-CD2 4.11Å; Y339-L477 HydrophobicContact CD2-CD2 3.39Å; Y339-L477 HydrophobicContact CE2-CD2 3.89Å; Y339-L477 HydrophobicContact CG-CD2 3.5Å; Y339-L484 HydrophobicContact CD1-CD1 3.98Å; Y339-L484 HydrophobicContact CE1-CD1 3.26Å; Y339-L484 HydrophobicContact CE2-CD1 4.24Å; Y339-L484 WeakPolarHBondContact OH-CD1 3.15Å
340	R	91.4	Very high	83.9	Confident	47 Å²	47	46.3 Å²	46.3	18%	0.177	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	163.9	174.2	64.8	178.7	-171.2	-170.4	3.2	111	A312 E313 D315 P316 C342 D575	A312-R340 WeakPolarHBondContact CA-O 3.36Å; E313-R340 HydrophobicContact CG-CG 3.83Å; E313-R340 PolarHBondContact N-O 3.47Å; E313-R340 PolarHBondContact O-N 3.33Å; E313-R340 IonicContact OE1-CZ 3.3Å; E313-R340 VanDerWaalsContact OE1-CZ 3.26Å; E313-R340 IonicContact OE1-NE 3.53Å; E313-R340 PolarHBondContact OE1-NE 3.49Å; E313-R340 IonicContact OE1-NH2 3.13Å; E313-R340 PolarHBondContact OE1-NH2 3.04Å; D315-R340 HydrophobicContact CB-CB 4.12Å; D315-R340 HydrophobicContact CB-CG 4.12Å; P316-R340 VanDerWaalsContact CD-CZ 3.42Å; R340-C342 PolarHBondContact O-N 3.27Å; R340-D575 VanDerWaalsContact CB-OD2 3.27Å; R340-D575 WeakPolarHBondContact CB-OD2 3.37Å
341	A	91.6	Very high	85.4	Confident	5 Å²	5	42.1 Å²	42.1	4%	0.041	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	131	174.7	0	0	0	0	0	110.1	I310 L343 Y472	I310-A341 HydrophobicContact CG2-CB 3.83Å; A341-L343 PolarHBondContact O-N 3.41Å; A341-Y472 HydrophobicContact CB-CD2 4.14Å; A341-Y472 HydrophobicContact CB-CE2 4.35Å
342	C	88.9	Confident	86.7	Confident	14 Å²	14	40.3 Å²	40.3	10%	0.095	20%	0.196	C	C	.	.			trans	-79	108.2	175.8	-177	0	0	0	0	109.2	L311 E313 R340	L311-C342 HydrophobicContact CB-CB 4.14Å; L311-C342 HydrophobicContact CD2-CB 3.79Å; L311-C342 HydrophobicContact CG-CB 3.72Å; L311-C342 WeakPolarHBondContact O-CB 3.46Å; L311-C342 PolarHBondContact O-N 3.45Å; E313-C342 HydrophobicContact CB-CB 4.18Å; E313-C342 HydrophobicContact CG-CB 4.05Å; E313-C342 PolarHBondContact OE2-SG 2.98Å; R340-C342 PolarHBondContact O-N 3.27Å
343	L	80.2	Confident	87.8	Confident	52 Å²	52	35 Å²	35	27%	0.272	17%	0.173	S	C	.	.			trans	-105.8	152.5	-178.5	-62.7	170.7	0	0	0	110.8	A341 V568 H571	A341-L343 PolarHBondContact O-N 3.41Å; L343-V568 HydrophobicContact CB-CG2 4.11Å; L343-H571 HydrophobicContact CD1-CB 3.33Å; L343-H571 WeakPolarHBondContact CD1-CD2 3.48Å
344	Y	79.9	Confident	88.7	Confident	41 Å²	41	32.8 Å²	32.8	16%	0.161	16%	0.155	C	C	.	.			trans	-112	136.1	177.7	-66.8	-82.3	0	0	0	109.4	L291 G295 Y296 R346 H380	L291-Y344 HydrophobicContact CD1-CE1 4.35Å; L291-Y344 WeakPolarHBondContact CD1-OH 3.26Å; G295-Y344 WeakPolarHBondContact O-CE1 3.38Å; G295-Y344 WeakPolarHBondContact O-CE2 3.45Å; G295-Y344 PolarHBondContact O-OH 3.26Å; Y296-Y344 HydrophobicContact CD2-CE2 4.02Å; Y344-R346 PolarHBondContact O-N 2.97Å; Y344-R346 VanDerWaalsContact O-N 3.08Å; Y344-H380 PolarHBondContact O-CE1 3.12Å; Y344-H380 PolarHBondContact O-NE2 2.97Å; Y344-H380 VanDerWaalsContact O-NE2 3.14Å
345	E	81.6	Confident	89.4	Confident	109 Å²	109	30.8 Å²	30.8	51%	0.509	14%	0.144	S	C	.	.	S	Bend	trans	-65.1	-14.2	177.8	-60.9	169	-173.5	0	0	112.9	G564 W565	E345-G564 WeakPolarHBondContact O-CA 3.47Å; E345-W565 HydrophobicContact CB-CD2 4.48Å; E345-W565 HydrophobicContact CB-CH2 4.48Å; E345-W565 HydrophobicContact CB-CZ2 4.1Å; E345-W565 HydrophobicContact CG-CD2 4.38Å; E345-W565 HydrophobicContact CG-CE3 4.28Å; E345-W565 HydrophobicContact CG-CH2 3.66Å; E345-W565 HydrophobicContact CG-CZ2 3.76Å; E345-W565 HydrophobicContact CG-CZ3 3.93Å; E345-W565 WeakPolarHBondContact OE1-CH2 3.37Å; E345-W565 WeakPolarHBondContact OE2-CH2 3.49Å; E345-W565 WeakPolarHBondContact OE2-CZ2 3.39Å
346	R	88.3	Confident	89.8	Confident	135 Å²	135	32.5 Å²	32.5	51%	0.509	16%	0.155	S	C	.	.	S	Bend	trans	-109.9	137.4	178.6	-64.7	-178.8	66.9	-168.6	-1.2	111.1	Y344 L348 H380	Y344-R346 PolarHBondContact O-N 2.97Å; Y344-R346 VanDerWaalsContact O-N 3.08Å; R346-L348 HydrophobicContact CB-CG 4.34Å; R346-H380 PolarHBondContact O-CE1 2.84Å
347	V	94.5	Very high	90	Very high	9 Å²	9	34.6 Å²	34.6	6%	0.055	16%	0.163	C	C	.	.			trans	-77.7	123.3	169.2	-171.2	0	0	0	0	109.4	A378 H380 F544 M560 M563	V347-A378 HydrophobicContact CG1-CB 4.14Å; V347-H380 HydrophobicContact CG1-CB 4.19Å; V347-H380 HydrophobicContact CG2-CB 3.96Å; V347-F544 HydrophobicContact CB-CB 4.28Å; V347-F544 HydrophobicContact CB-CD2 4.11Å; V347-F544 HydrophobicContact CB-CG 4.05Å; V347-F544 HydrophobicContact CG1-CB 4.41Å; V347-F544 HydrophobicContact CG1-CD1 3.76Å; V347-F544 HydrophobicContact CG1-CD2 3.91Å; V347-F544 HydrophobicContact CG1-CE1 3.9Å; V347-F544 HydrophobicContact CG1-CE2 4.05Å; V347-F544 HydrophobicContact CG1-CG 3.76Å; V347-F544 HydrophobicContact CG1-CZ 4.04Å; V347-F544 WeakPolarHBondContact O-CD2 3.36Å; V347-M560 WeakPolarHBondContact CG2-O 3.39Å; V347-M563 HydrophobicContact CG2-CB 4.32Å
348	L	95.1	Very high	90.4	Very high	18 Å²	18	32.6 Å²	32.6	9%	0.094	15%	0.152	C	C	.	.			trans	-139.9	170.4	-175.1	-62.6	175.9	0	0	0	109.2	R346 A350 R364 L365 A378 S379	R346-L348 HydrophobicContact CB-CG 4.34Å; L348-A350 PolarHBondContact O-N 3.25Å; L348-R364 HydrophobicContact CB-CB 4.07Å; L348-R364 HydrophobicContact CD1-CB 4.41Å; L348-R364 HydrophobicContact CD2-CB 4.48Å; L348-L365 HydrophobicContact CD2-CD2 3.95Å; L348-L365 HydrophobicContact CD2-CG 4.3Å; L348-A378 CarbonylContact O-C 3.59Å; L348-A378 VanDerWaalsContact O-CA 3.28Å; L348-A378 WeakPolarHBondContact O-CA 3.31Å; L348-S379 PolarHBondContact N-OG 2.8Å; L348-S379 PolarHBondContact O-N 2.95Å; L348-S379 PolarHBondContact O-OG 3.32Å
349	L	96.5	Very high	90.8	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	129.4	165.1	-62.8	173.5	0	0	0	110	I360 R364 V367 V376 I532 V542 F544	L349-I360 HydrophobicContact CB-CD1 4.12Å; L349-R364 VanDerWaalsContact CB-O 3.32Å; L349-R364 WeakPolarHBondContact CB-O 3.13Å; L349-R364 WeakPolarHBondContact CG-O 3.46Å; L349-R364 PolarHBondContact N-O 2.74Å; L349-R364 PolarHBondContact O-NE 3.31Å; L349-R364 PolarHBondContact O-NH2 3.08Å; L349-V367 HydrophobicContact CD1-CB 3.85Å; L349-V367 HydrophobicContact CD1-CG1 3.8Å; L349-V376 HydrophobicContact CB-CG2 4.07Å; L349-V376 HydrophobicContact CD2-CG1 4.2Å; L349-V376 HydrophobicContact CD2-CG2 4.22Å; L349-I532 HydrophobicContact CD2-CD1 4.1Å; L349-V542 HydrophobicContact CD1-CG1 4.2Å; L349-V542 HydrophobicContact CD2-CG1 4Å; L349-V542 HydrophobicContact CG-CG1 3.92Å; L349-F544 HydrophobicContact CD2-CZ 4.47Å
350	A	94	Very high	91	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.008	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	127.3	-176.5	0	0	0	0	0	111	L348 D353 R377	L348-A350 PolarHBondContact O-N 3.25Å; A350-D353 HydrophobicContact CB-CB 3.64Å; A350-R377 WeakPolarHBondContact CB-O 3.19Å; A350-R377 PolarHBondContact N-O 2.93Å
351	L	91.6	Very high	91	Very high	17 Å²	17	38.1 Å²	38.1	9%	0.089	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-37	-179	-74.8	173.1	0	0	0	112.8	Y296 H300 R354 I360 R364	Y296-L351 VanDerWaalsContact CB-CD1 3.47Å; Y296-L351 HydrophobicContact CD1-CB 3.73Å; Y296-L351 HydrophobicContact CD1-CD1 4.28Å; Y296-L351 HydrophobicContact CE1-CB 4.33Å; Y296-L351 HydrophobicContact CG-CB 4.05Å; Y296-L351 HydrophobicContact CG-CD1 4.12Å; H300-L351 PolarHBondContact NE2-O 3.13Å; L351-R354 VanDerWaalsContact O-CD 3.25Å; L351-R354 WeakPolarHBondContact O-CD 3.25Å; L351-R354 VanDerWaalsContact O-CG 3.24Å; L351-R354 WeakPolarHBondContact O-CG 3.33Å; L351-R354 PolarHBondContact O-NE 2.98Å; L351-I360 HydrophobicContact CD2-CB 4.4Å; L351-I360 HydrophobicContact CD2-CD1 4.25Å; L351-I360 HydrophobicContact CD2-CG2 4.43Å; L351-R364 HydrophobicContact CD1-CG 4.5Å
352	H	89.6	Confident	90.8	Very high	37 Å²	37	44.9 Å²	44.9	17%	0.171	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-26.2	176.4	59.2	-80.9	0	0	0	113.4	Y296 N303 R354	Y296-H352 HydrophobicContact CE1-CB 3.89Å; Y296-H352 AromaticContact CE2-ND1 3.44Å; Y296-H352 WeakPolarHBondContact CE2-ND1 3.48Å; Y296-H352 AromaticContact CZ-CG 3.74Å; Y296-H352 AromaticContact CZ-ND1 3.27Å; Y296-H352 VanDerWaalsContact CZ-ND1 3.27Å; Y296-H352 WeakPolarHBondContact OH-CB 3.42Å; Y296-H352 PolarHBondContact OH-ND1 3.38Å; Y296-H352 VanDerWaalsContact OH-ND1 3.08Å; N303-H352 PolarHBondContact N-O 3.39Å; H352-R354 PolarHBondContact O-N 2.84Å
353	D	93.3	Very high	90.6	Very high	13 Å²	13	48.4 Å²	48.4	7%	0.07	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	53.3	-171.7	-149.8	26.6	0	0	0	112.1	N303 A350 R377	N303-D353 PolarHBondContact ND2-OD1 3.13Å; A350-D353 HydrophobicContact CB-CB 3.64Å; D353-R377 PolarHBondContact O-N 3.01Å; D353-R377 VanDerWaalsContact O-N 3.14Å; D353-R377 IonicContact OD1-CZ 2.93Å; D353-R377 IonicContact OD1-NE 3.03Å; D353-R377 IonicContact OD1-NH2 4Å; D353-R377 PolarHBondContact OD1-NH2 2.86Å; D353-R377 IonicContact OD2-CZ 3.09Å; D353-R377 VanDerWaalsContact OD2-CZ 3.3Å; D353-R377 IonicContact OD2-NE 2.82Å; D353-R377 PolarHBondContact OD2-NE 3.48Å; D353-R377 IonicContact OD2-NH2 2.64Å; D353-R377 PolarHBondContact OD2-NH2 2.94Å; D353-R377 VanDerWaalsContact OD2-NH2 3.13Å
354	R	94.4	Very high	91.3	Very high	33 Å²	33	46.2 Å²	46.2	13%	0.125	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	158.9	-179.4	73.8	-170.2	-178.5	90.8	-12.3	111.6	F302 L351 H352 P356 L358 M375 V376	F302-R354 HydrophobicContact CD1-CG 4.29Å; F302-R354 WeakPolarHBondContact CD1-O 3.38Å; F302-R354 HydrophobicContact CE1-CG 3.92Å; L351-R354 VanDerWaalsContact O-CD 3.25Å; L351-R354 WeakPolarHBondContact O-CD 3.25Å; L351-R354 VanDerWaalsContact O-CG 3.24Å; L351-R354 WeakPolarHBondContact O-CG 3.33Å; L351-R354 PolarHBondContact O-NE 2.98Å; H352-R354 PolarHBondContact O-N 2.84Å; R354-P356 PolarHBondContact NH1-O 2.69Å; R354-L358 PolarHBondContact NH1-O 3.32Å; R354-M375 WeakPolarHBondContact CA-O 3.45Å; R354-V376 HydrophobicContact CB-CB 3.79Å; R354-V376 HydrophobicContact CB-CG2 3.73Å
355	A	94.1	Very high	92	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.227	C	C	.	.			trans	-65.2	134.9	164.6	0	0	0	0	0	110.9	Q357 L358 M375 L413	A355-Q357 HydrophobicContact CB-CG 4.38Å; A355-Q357 PolarHBondContact O-N 2.97Å; A355-Q357 VanDerWaalsContact O-N 3.12Å; A355-L358 HydrophobicContact CB-CD1 4.41Å; A355-L358 HydrophobicContact CB-CG 4.36Å; A355-L358 PolarHBondContact O-N 3Å; A355-L358 VanDerWaalsContact O-N 3.09Å; A355-M375 PolarHBondContact N-O 3.5Å; A355-L413 WeakPolarHBondContact CB-O 3.34Å
356	P	91.3	Very high	92.8	Very high	65 Å²	65	42.6 Å²	42.6	42%	0.422	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.1	-177.3	-26.1	34.1	0	0	0	114.7	F302 R354 L358	F302-P356 HydrophobicContact CB-CG 4.28Å; F302-P356 HydrophobicContact CD1-CB 4.39Å; F302-P356 HydrophobicContact CD1-CG 3.9Å; F302-P356 HydrophobicContact CD2-CB 4.34Å; F302-P356 HydrophobicContact CD2-CG 3.96Å; F302-P356 HydrophobicContact CE1-CB 4.16Å; F302-P356 HydrophobicContact CE1-CG 4.19Å; F302-P356 HydrophobicContact CE2-CB 4.11Å; F302-P356 HydrophobicContact CE2-CG 4.24Å; F302-P356 HydrophobicContact CG-CB 4.47Å; F302-P356 HydrophobicContact CG-CG 3.78Å; F302-P356 HydrophobicContact CZ-CB 4.02Å; F302-P356 HydrophobicContact CZ-CG 4.34Å; R354-P356 PolarHBondContact NH1-O 2.69Å; P356-L358 VanDerWaalsContact C-N 3.32Å; P356-L358 PolarHBondContact O-N 3.39Å
357	Q	90.9	Very high	93.3	Very high	53 Å²	53	36.2 Å²	36.2	25%	0.248	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-11.9	-179.4	67.1	-90.7	30.3	0	0	114.8	A355	A355-Q357 HydrophobicContact CB-CG 4.38Å; A355-Q357 PolarHBondContact O-N 2.97Å; A355-Q357 VanDerWaalsContact O-N 3.12Å
358	L	94.9	Very high	93.4	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.021	20%	0.198	C	C	.	.			trans	-71.4	144	173.2	-73.5	176.2	0	0	0	109.7	R354 A355 P356 V367 S374 M375 V376 L534	R354-L358 PolarHBondContact NH1-O 3.32Å; A355-L358 HydrophobicContact CB-CD1 4.41Å; A355-L358 HydrophobicContact CB-CG 4.36Å; A355-L358 PolarHBondContact O-N 3Å; A355-L358 VanDerWaalsContact O-N 3.09Å; P356-L358 VanDerWaalsContact C-N 3.32Å; P356-L358 PolarHBondContact O-N 3.39Å; L358-V367 HydrophobicContact CB-CG2 4.1Å; L358-V367 HydrophobicContact CD1-CG2 4.19Å; L358-V367 HydrophobicContact CD2-CG2 4.05Å; L358-V367 HydrophobicContact CG-CG2 4.35Å; L358-S374 WeakPolarHBondContact CD2-OG 3.43Å; L358-S374 WeakPolarHBondContact CG-OG 3.24Å; L358-M375 WeakPolarHBondContact CD1-O 3.41Å; L358-V376 HydrophobicContact CD1-CB 3.8Å; L358-V376 HydrophobicContact CD1-CG1 4.02Å; L358-L534 HydrophobicContact CD2-CB 4.47Å
359	K	94.8	Very high	93.4	Very high	124 Å²	124	37 Å²	37	54%	0.539	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.3	172.6	-63.4	178.5	-174.4	174.1	0	107.8	V367 T368 E370	K359-V367 CarbonylContact O-C 3.52Å; K359-V367 VanDerWaalsContact O-CA 3.3Å; K359-V367 WeakPolarHBondContact O-CA 3.46Å; K359-T368 PolarHBondContact N-O 3.31Å; K359-T368 PolarHBondContact O-N 3.11Å; K359-E370 IonicContact NZ-OE1 3.86Å
360	I	93.8	Very high	93.1	Very high	29 Å²	29	40.9 Å²	40.9	15%	0.149	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	138.1	178.6	-63.2	-174.8	0	0	0	107.1	L349 L351 R364 T366 V367 V376	L349-I360 HydrophobicContact CB-CD1 4.12Å; L351-I360 HydrophobicContact CD2-CB 4.4Å; L351-I360 HydrophobicContact CD2-CD1 4.25Å; L351-I360 HydrophobicContact CD2-CG2 4.43Å; I360-R364 HydrophobicContact CG2-CB 4.16Å; I360-R364 HydrophobicContact CG2-CG 4.17Å; I360-T366 WeakPolarHBondContact CA-O 3.5Å; I360-V367 HydrophobicContact CG1-CB 4.28Å; I360-V367 HydrophobicContact CG1-CG2 4.1Å; I360-V376 HydrophobicContact CD1-CG2 3.94Å
361	S	92.3	Very high	92.9	Very high	38 Å²	38	48.2 Å²	48.2	27%	0.266	25%	0.246	S	C	.	.			trans	-65.6	160.9	173.9	52	0	0	0	0	111.9	D363 R364 T366	S361-D363 VanDerWaalsContact C-N 3.25Å; S361-D363 VanDerWaalsContact CB-OD1 3.31Å; S361-D363 WeakPolarHBondContact CB-OD1 3.42Å; S361-D363 PolarHBondContact O-N 3.5Å; S361-D363 PolarHBondContact OG-OD1 3.21Å; S361-R364 WeakPolarHBondContact O-CA 3.15Å; S361-R364 PolarHBondContact O-N 2.98Å; S361-T366 PolarHBondContact N-O 3.23Å; S361-T366 WeakPolarHBondContact OG-CA 3.39Å; S361-T366 VanDerWaalsContact OG-CB 3.26Å; S361-T366 WeakPolarHBondContact OG-CB 3.21Å; S361-T366 PolarHBondContact OG-N 3.22Å; S361-T366 PolarHBondContact OG-O 3.4Å
362	D	86.3	Confident	93	Very high	148 Å²	148	49 Å²	49	79%	0.791	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.8	-177.7	-68.4	-15	0	0	0	113.2	R364	D362-R364 PolarHBondContact O-N 2.67Å
363	D	86.4	Confident	93.3	Very high	87 Å²	87	49.4 Å²	49.4	47%	0.465	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-8.5	174.3	70.6	-4.5	0	0	0	113.6	S361 L365	S361-D363 VanDerWaalsContact C-N 3.25Å; S361-D363 VanDerWaalsContact CB-OD1 3.31Å; S361-D363 WeakPolarHBondContact CB-OD1 3.42Å; S361-D363 PolarHBondContact O-N 3.5Å; S361-D363 PolarHBondContact OG-OD1 3.21Å; D363-L365 PolarHBondContact O-N 3Å; D363-L365 PolarHBondContact OD1-N 3.08Å
364	R	93.2	Very high	93.4	Very high	6 Å²	6	48.8 Å²	48.8	2%	0.023	26%	0.255	C	S	.	.	S	Bend	trans	57.9	29.7	-179.9	-58.6	169.7	57	-178.3	-1.1	114.4	H294 G295 L348 L349 L351 I360 S361 D362	H294-R364 WeakPolarHBondContact O-CD 3.06Å; H294-R364 PolarHBondContact O-NH1 3.23Å; G295-R364 PolarHBondContact O-NH1 3.14Å; L348-R364 HydrophobicContact CB-CB 4.07Å; L348-R364 HydrophobicContact CD1-CB 4.41Å; L348-R364 HydrophobicContact CD2-CB 4.48Å; L349-R364 VanDerWaalsContact CB-O 3.32Å; L349-R364 WeakPolarHBondContact CB-O 3.13Å; L349-R364 WeakPolarHBondContact CG-O 3.46Å; L349-R364 PolarHBondContact N-O 2.74Å; L349-R364 PolarHBondContact O-NE 3.31Å; L349-R364 PolarHBondContact O-NH2 3.08Å; L351-R364 HydrophobicContact CD1-CG 4.5Å; I360-R364 HydrophobicContact CG2-CB 4.16Å; I360-R364 HydrophobicContact CG2-CG 4.17Å; S361-R364 WeakPolarHBondContact O-CA 3.15Å; S361-R364 PolarHBondContact O-N 2.98Å; D362-R364 PolarHBondContact O-N 2.67Å
365	L	96.2	Very high	93.6	Very high	39 Å²	39	47.3 Å²	47.3	20%	0.204	25%	0.249	C	C	.	.	S	Bend	trans	-115.1	-8.9	175.9	-64.8	175.9	0	0	0	113.1	L348 D363 S541 V542 F544	L348-L365 HydrophobicContact CD2-CD2 3.95Å; L348-L365 HydrophobicContact CD2-CG 4.3Å; D363-L365 PolarHBondContact O-N 3Å; D363-L365 PolarHBondContact OD1-N 3.08Å; L365-S541 CarbonylContact O-C 3.55Å; L365-S541 VanDerWaalsContact O-CA 3.31Å; L365-S541 WeakPolarHBondContact O-CA 3.39Å; L365-V542 HydrophobicContact CD2-CG1 4.12Å; L365-V542 WeakPolarHBondContact O-CG1 3.5Å; L365-V542 PolarHBondContact O-N 2.86Å; L365-F544 HydrophobicContact CD2-CD2 3.96Å; L365-F544 HydrophobicContact CD2-CE2 3.86Å
366	T	97.9	Very high	93.8	Very high	35 Å²	35	47.3 Å²	47.3	22%	0.215	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	140.6	175.9	-52.7	0	0	0	0	110.2	I360 S361 T539 V540	I360-T366 WeakPolarHBondContact CA-O 3.5Å; S361-T366 PolarHBondContact N-O 3.23Å; S361-T366 WeakPolarHBondContact OG-CA 3.39Å; S361-T366 VanDerWaalsContact OG-CB 3.26Å; S361-T366 WeakPolarHBondContact OG-CB 3.21Å; S361-T366 PolarHBondContact OG-N 3.22Å; S361-T366 PolarHBondContact OG-O 3.4Å; T366-T539 HydrophobicContact CG2-CG2 3.51Å; T366-V540 WeakPolarHBondContact CA-O 3.28Å
367	V	98.2	Very high	94.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	134.8	176.4	54.5	0	0	0	0	111.2	L349 L358 K359 I360 V376 I532 L534 T539 V540	L349-V367 HydrophobicContact CD1-CB 3.85Å; L349-V367 HydrophobicContact CD1-CG1 3.8Å; L358-V367 HydrophobicContact CB-CG2 4.1Å; L358-V367 HydrophobicContact CD1-CG2 4.19Å; L358-V367 HydrophobicContact CD2-CG2 4.05Å; L358-V367 HydrophobicContact CG-CG2 4.35Å; K359-V367 CarbonylContact O-C 3.52Å; K359-V367 VanDerWaalsContact O-CA 3.3Å; K359-V367 WeakPolarHBondContact O-CA 3.46Å; I360-V367 HydrophobicContact CG1-CB 4.28Å; I360-V367 HydrophobicContact CG1-CG2 4.1Å; V367-V376 HydrophobicContact CB-CG1 4.37Å; V367-V376 HydrophobicContact CG1-CG1 4.07Å; V367-V376 HydrophobicContact CG2-CG1 4.02Å; V367-I532 HydrophobicContact CG1-CB 4.43Å; V367-I532 HydrophobicContact CG1-CD1 4.06Å; V367-I532 HydrophobicContact CG1-CG2 3.82Å; V367-L534 HydrophobicContact CB-CD1 4.43Å; V367-L534 HydrophobicContact CG1-CD1 4.02Å; V367-L534 HydrophobicContact CG2-CD1 4.02Å; V367-L534 VanDerWaalsContact O-CD1 3.27Å; V367-L534 WeakPolarHBondContact O-CD1 3.26Å; V367-T539 WeakPolarHBondContact O-CA 3.16Å; V367-V540 HydrophobicContact CG1-CG2 3.82Å; V367-V540 PolarHBondContact N-O 3.4Å; V367-V540 PolarHBondContact O-N 3.32Å
368	T	97.9	Very high	94.4	Very high	40 Å²	40	41.9 Å²	41.9	25%	0.245	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129.9	178.1	-56.2	0	0	0	0	110.1	K359 C538 T539	K359-T368 PolarHBondContact N-O 3.31Å; K359-T368 PolarHBondContact O-N 3.11Å; T368-C538 WeakPolarHBondContact CA-O 3.45Å; T368-T539 VanDerWaalsContact CG2-OG1 3.32Å; T368-T539 WeakPolarHBondContact CG2-OG1 2.91Å; T368-T539 WeakPolarHBondContact OG1-CG2 3.48Å; T368-T539 PolarHBondContact OG1-OG1 2.98Å
369	G	95.1	Very high	94.4	Very high	4 Å²	4	43 Å²	43	4%	0.041	23%	0.226	C	C	.	.			trans	-77.7	171.6	172.9	0	0	0	0	0	112.8	R536 G537 C538	G369-R536 CarbonylContact C-O 3.55Å; G369-R536 WeakPolarHBondContact CA-O 3.3Å; G369-G537 WeakPolarHBondContact O-CA 3.47Å; G369-C538 PolarHBondContact N-O 2.87Å
370	E	90.1	Very high	94.4	Very high	84 Å²	84	37.4 Å²	37.4	39%	0.393	20%	0.202	S	C	.	.			trans	-135.4	-70.8	-179.6	-168.7	-173.5	-133.8	0	0	113.7	K359 R536	K359-E370 IonicContact NZ-OE1 3.86Å; E370-R536 PolarHBondContact N-O 2.97Å; E370-R536 VanDerWaalsContact O-CA 3.24Å; E370-R536 WeakPolarHBondContact O-CA 3.38Å
371	K	89.4	Confident	94.5	Very high	155 Å²	155	36.5 Å²	36.5	67%	0.674	20%	0.2	S	C	*	.	S	Bend	trans	-104.1	-107.2	-176.8	-64.3	-179	-175.2	173.2	0	111.1	R536	K371-R536 WeakPolarHBondContact O-CA 3.41Å; K371-R536 VanDerWaalsContact O-CG 3.26Å; K371-R536 WeakPolarHBondContact O-CG 3.49Å; K371-R536 PolarHBondContact O-N 3.41Å
372	G	93.5	Very high	94.8	Very high	33 Å²	33	34.7 Å²	34.7	34%	0.34	19%	0.187	S	C	.	.	S	Bend	trans	-72.2	-175.7	177.4	0	0	0	0	0	112.4	S374	G372-S374 PolarHBondContact O-N 3.29Å
373	Y	95.8	Very high	95.2	Very high	47 Å²	47	29.3 Å²	29.3	18%	0.184	16%	0.156	C	C	.	.			trans	-63.3	137.1	170.5	-85.9	-76.7	0	0	0	109.9	A401 R403 P416 L534 Y535	Y373-A401 VanDerWaalsContact OH-CB 3.27Å; Y373-A401 WeakPolarHBondContact OH-CB 3.28Å; Y373-R403 HydrophobicContact CE1-CG 4.03Å; Y373-P416 HydrophobicContact CD1-CB 3.76Å; Y373-P416 HydrophobicContact CD2-CB 4.02Å; Y373-P416 HydrophobicContact CD2-CG 4.38Å; Y373-P416 HydrophobicContact CE1-CB 4.29Å; Y373-P416 HydrophobicContact CG-CB 3.61Å; Y373-P416 HydrophobicContact CG-CG 4.27Å; Y373-L534 WeakPolarHBondContact CA-O 3.44Å; Y373-Y535 AromaticContact CD2-CD2 3.68Å; Y373-Y535 HydrophobicContact CD2-CD2 3.68Å; Y373-Y535 HydrophobicContact CD2-CG 4.11Å; Y373-Y535 AromaticContact CE2-CD2 3.92Å; Y373-Y535 HydrophobicContact CE2-CD2 3.92Å; Y373-Y535 AromaticContact CE2-CG 3.95Å; Y373-Y535 HydrophobicContact CE2-CG 3.95Å; Y373-Y535 HydrophobicContact CG-CD2 4.18Å
374	S	96.1	Very high	95.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	157	174.8	44.6	0	0	0	0	108.9	L358 G372 S533 L534	L358-S374 WeakPolarHBondContact CD2-OG 3.43Å; L358-S374 WeakPolarHBondContact CG-OG 3.24Å; G372-S374 PolarHBondContact O-N 3.29Å; S374-S533 CarbonylContact O-C 3.42Å; S374-S533 WeakPolarHBondContact O-CA 3.49Å; S374-S533 WeakPolarHBondContact O-CB 3Å; S374-S533 PolarHBondContact O-OG 3.07Å; S374-L534 PolarHBondContact N-O 2.93Å; S374-L534 PolarHBondContact O-N 3.17Å
375	M	97.1	Very high	95.9	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.6	-170.2	-177.7	175.5	78.9	0	0	112.2	R354 A355 L358 L413 L417 A531 I532	R354-M375 WeakPolarHBondContact CA-O 3.45Å; A355-M375 PolarHBondContact N-O 3.5Å; L358-M375 WeakPolarHBondContact CD1-O 3.41Å; M375-L413 HydrophobicContact CB-CD2 4.46Å; M375-L413 HydrophobicContact CE-CD2 3.81Å; M375-L413 HydrophobicContact CG-CD2 4.45Å; M375-L413 PolarHBondContact N-O 2.5Å; M375-L417 HydrophobicContact CG-CD1 4.49Å; M375-L417 HydrophobicContact SD-CB 4.06Å; M375-L417 HydrophobicContact SD-CD1 3.26Å; M375-L417 WeakPolarHBondContact SD-CD1 3.26Å; M375-L417 HydrophobicContact SD-CG 4.24Å; M375-A531 HydrophobicContact SD-CB 4.41Å; M375-I532 CarbonylContact C-O 3.56Å; M375-I532 VanDerWaalsContact CA-O 3.23Å; M375-I532 WeakPolarHBondContact CA-O 3.22Å; M375-I532 WeakPolarHBondContact CG-O 3.38Å
376	V	98.1	Very high	96	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.4	167.9	57.2	0	0	0	0	109	L349 R354 L358 I360 V367 A531 I532	L349-V376 HydrophobicContact CB-CG2 4.07Å; L349-V376 HydrophobicContact CD2-CG1 4.2Å; L349-V376 HydrophobicContact CD2-CG2 4.22Å; R354-V376 HydrophobicContact CB-CB 3.79Å; R354-V376 HydrophobicContact CB-CG2 3.73Å; L358-V376 HydrophobicContact CD1-CB 3.8Å; L358-V376 HydrophobicContact CD1-CG1 4.02Å; I360-V376 HydrophobicContact CD1-CG2 3.94Å; V367-V376 HydrophobicContact CB-CG1 4.37Å; V367-V376 HydrophobicContact CG1-CG1 4.07Å; V367-V376 HydrophobicContact CG2-CG1 4.02Å; V376-A531 WeakPolarHBondContact O-CA 3.4Å; V376-I532 HydrophobicContact CG1-CB 3.99Å; V376-I532 PolarHBondContact N-O 3.19Å; V376-I532 PolarHBondContact O-N 3.42Å
377	R	97.9	Very high	96	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.015	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	157.9	170.5	-73.4	-178.9	-72	-102.3	3.5	111.4	A350 D353 P409 G411 F529 P530 A531	A350-R377 WeakPolarHBondContact CB-O 3.19Å; A350-R377 PolarHBondContact N-O 2.93Å; D353-R377 PolarHBondContact O-N 3.01Å; D353-R377 VanDerWaalsContact O-N 3.14Å; D353-R377 IonicContact OD1-CZ 2.93Å; D353-R377 IonicContact OD1-NE 3.03Å; D353-R377 IonicContact OD1-NH2 4Å; D353-R377 PolarHBondContact OD1-NH2 2.86Å; D353-R377 IonicContact OD2-CZ 3.09Å; D353-R377 VanDerWaalsContact OD2-CZ 3.3Å; D353-R377 IonicContact OD2-NE 2.82Å; D353-R377 PolarHBondContact OD2-NE 3.48Å; D353-R377 IonicContact OD2-NH2 2.64Å; D353-R377 PolarHBondContact OD2-NH2 2.94Å; D353-R377 VanDerWaalsContact OD2-NH2 3.13Å; R377-P409 PolarHBondContact NH1-O 3.5Å; R377-P409 PolarHBondContact NH2-O 2.86Å; R377-G411 PolarHBondContact NH1-O 3.46Å; R377-F529 HydrophobicContact CB-CB 4.06Å; R377-F529 HydrophobicContact CG-CB 4.16Å; R377-P530 CarbonylContact C-O 3.59Å; R377-P530 WeakPolarHBondContact CA-O 3.41Å; R377-A531 HydrophobicContact CG-CB 4.04Å
378	A	97.7	Very high	96	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.008	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	161.5	166.7	0	0	0	0	0	111.2	V347 L348 H380 F529 P530 F544	V347-A378 HydrophobicContact CG1-CB 4.14Å; L348-A378 CarbonylContact O-C 3.59Å; L348-A378 VanDerWaalsContact O-CA 3.28Å; L348-A378 WeakPolarHBondContact O-CA 3.31Å; A378-H380 PolarHBondContact O-N 3.08Å; A378-F529 WeakPolarHBondContact O-CD1 3.4Å; A378-P530 HydrophobicContact CB-CB 3.97Å; A378-P530 HydrophobicContact CB-CG 4.07Å; A378-P530 PolarHBondContact N-O 3.41Å; A378-F544 HydrophobicContact CB-CE1 3.74Å; A378-F544 HydrophobicContact CB-CZ 3.72Å
379	S	94.6	Very high	96.1	Very high	27 Å²	27	26.5 Å²	26.5	19%	0.189	14%	0.139	C	C	.	.	S	Bend	trans	-68.7	-21.5	177.9	50.8	0	0	0	0	113.7	L348	L348-S379 PolarHBondContact N-OG 2.8Å; L348-S379 PolarHBondContact O-N 2.95Å; L348-S379 PolarHBondContact O-OG 3.32Å
380	H	95.3	Very high	96.2	Very high	7 Å²	7	26.3 Å²	26.3	3%	0.032	14%	0.138	C	C	.	.			trans	-127.2	147.6	-175.8	-61.5	81.9	0	0	0	110.9	Y344 R346 V347 A378 F529 M563 A567	Y344-H380 PolarHBondContact O-CE1 3.12Å; Y344-H380 PolarHBondContact O-NE2 2.97Å; Y344-H380 VanDerWaalsContact O-NE2 3.14Å; R346-H380 PolarHBondContact O-CE1 2.84Å; V347-H380 HydrophobicContact CG1-CB 4.19Å; V347-H380 HydrophobicContact CG2-CB 3.96Å; A378-H380 PolarHBondContact O-N 3.08Å; H380-F529 VanDerWaalsContact O-CD1 3.23Å; H380-F529 WeakPolarHBondContact O-CD1 3.2Å; H380-M563 HydrophobicContact CB-CB 4.03Å; H380-A567 VanDerWaalsContact CD2-CB 3.43Å; H380-A567 WeakPolarHBondContact CD2-CB 3.36Å
381	G	96.3	Very high	96.7	Very high	9 Å²	9	22.3 Å²	22.3	9%	0.093	12%	0.119	C	C	.	.			trans	-130.2	167.6	177.7	0	0	0	0	0	112	Y528 M563	G381-Y528 CarbonylContact C-O 3.53Å; G381-Y528 WeakPolarHBondContact CA-O 3.38Å; G381-M563 WeakPolarHBondContact O-CE 3.38Å
382	V	97.4	Very high	97.1	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.006	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-118.9	143.1	-175	-62.7	0	0	0	0	110.5	W387 W406 I456 L458 Y528 M560 M563	V382-W387 HydrophobicContact CB-CD2 4.34Å; V382-W387 HydrophobicContact CB-CG 4.03Å; V382-W387 HydrophobicContact CG1-CB 4.19Å; V382-W387 HydrophobicContact CG1-CD2 3.46Å; V382-W387 VanDerWaalsContact CG1-CD2 3.46Å; V382-W387 HydrophobicContact CG1-CE3 4.07Å; V382-W387 HydrophobicContact CG1-CG 3.49Å; V382-W387 VanDerWaalsContact CG1-CG 3.49Å; V382-W387 HydrophobicContact CG1-CZ2 4.28Å; V382-W387 HydrophobicContact CG2-CG 4.27Å; V382-W406 HydrophobicContact CG2-CH2 4.31Å; V382-W406 HydrophobicContact CG2-CZ3 3.83Å; V382-I456 HydrophobicContact CG2-CG2 3.96Å; V382-L458 HydrophobicContact CG2-CD1 4.03Å; V382-Y528 PolarHBondContact N-O 2.91Å; V382-Y528 PolarHBondContact O-N 3.04Å; V382-M560 HydrophobicContact CG1-CE 3.89Å; V382-M560 HydrophobicContact CG1-SD 3.63Å; V382-M563 HydrophobicContact CG1-CG 3.64Å; V382-M563 HydrophobicContact CG1-SD 4.02Å
383	R	95.9	Very high	97.4	Very high	35 Å²	35	14.8 Å²	14.8	13%	0.132	8%	0.08	C	C	.	.	S	Bend	trans	-117.5	-16.9	-177.2	-63	-176.6	-74.9	171.4	5	113.7	T464 A467 L468 L527 E570	R383-T464 HydrophobicContact CB-CG2 4.16Å; R383-T464 HydrophobicContact CG-CG2 4.04Å; R383-A467 VanDerWaalsContact CZ-O 3.28Å; R383-A467 PolarHBondContact NH1-O 3.09Å; R383-A467 PolarHBondContact NH2-O 2.98Å; R383-L468 PolarHBondContact NH1-O 3.11Å; R383-L527 HydrophobicContact CG-CB 4.05Å; R383-L527 HydrophobicContact CG-CD1 3.35Å; R383-L527 HydrophobicContact CG-CG 4.28Å; R383-E570 IonicContact CZ-OE2 2.76Å; R383-E570 IonicContact NH2-OE1 2.9Å; R383-E570 IonicContact NH2-OE2 3.57Å; R383-E570 PolarHBondContact NH2-OE2 3.28Å
384	K	95.8	Very high	97.4	Very high	81 Å²	81	15.3 Å²	15.3	35%	0.352	9%	0.086	S	C	.	.	S	Bend	trans	-161.7	167.4	-174.1	69.7	-176	170.8	-160.6	0	110.4	W387 D460 A465	K384-W387 PolarHBondContact O-NE1 2.85Å; K384-D460 WeakPolarHBondContact CB-OD1 3.33Å; K384-A465 HydrophobicContact CB-CB 3.69Å; K384-A465 HydrophobicContact CD-CB 4Å; K384-A465 HydrophobicContact CG-CB 4.42Å; K384-A465 PolarHBondContact NZ-O 2.93Å; K384-A465 VanDerWaalsContact NZ-O 3.09Å
385	G	97.1	Very high	97.5	Very high	18 Å²	18	20.3 Å²	20.3	19%	0.186	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.8	-169.1	178.5	0	0	0	0	0	114	E457 L458 D460	G385-E457 WeakPolarHBondContact O-CA 3.41Å; G385-L458 PolarHBondContact N-O 3.45Å; G385-L458 PolarHBondContact O-N 2.89Å; G385-D460 PolarHBondContact N-OD1 2.78Å
386	S	98.1	Very high	97.5	Very high	29 Å²	29	21.8 Å²	21.8	20%	0.203	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	117.9	-171.5	-60.1	0	0	0	0	110.9	I456 E457 Y557 Q558	S386-I456 CarbonylContact C-O 3Å; S386-I456 WeakPolarHBondContact CA-O 3.39Å; S386-E457 WeakPolarHBondContact OG-CG 3.26Å; S386-E457 PolarHBondContact OG-OE1 2.83Å; S386-Y557 CarbonylContact O-C 3.38Å; S386-Y557 WeakPolarHBondContact O-CA 3.43Å; S386-Q558 PolarHBondContact O-N 3.05Å
387	W	98.6	Very high	97.4	Very high	19 Å²	19	24.4 Å²	24.4	7%	0.072	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	151	-167.8	-61.9	88.6	0	0	0	113	V382 K384 W406 F455 I456 Q558 P559 M560 D562 M563	V382-W387 HydrophobicContact CB-CD2 4.34Å; V382-W387 HydrophobicContact CB-CG 4.03Å; V382-W387 HydrophobicContact CG1-CB 4.19Å; V382-W387 HydrophobicContact CG1-CD2 3.46Å; V382-W387 VanDerWaalsContact CG1-CD2 3.46Å; V382-W387 HydrophobicContact CG1-CE3 4.07Å; V382-W387 HydrophobicContact CG1-CG 3.49Å; V382-W387 VanDerWaalsContact CG1-CG 3.49Å; V382-W387 HydrophobicContact CG1-CZ2 4.28Å; V382-W387 HydrophobicContact CG2-CG 4.27Å; K384-W387 PolarHBondContact O-NE1 2.85Å; W387-W406 HydrophobicContact CB-CH2 4.36Å; W387-F455 CarbonylContact O-C 3.48Å; W387-F455 VanDerWaalsContact O-CA 3.3Å; W387-F455 WeakPolarHBondContact O-CA 3.39Å; W387-I456 HydrophobicContact CB-CG2 3.92Å; W387-I456 PolarHBondContact N-O 2.88Å; W387-I456 PolarHBondContact O-N 2.83Å; W387-Q558 CarbonylContact C-O 3.5Å; W387-Q558 VanDerWaalsContact CA-O 3.31Å; W387-Q558 WeakPolarHBondContact CA-O 3.25Å; W387-Q558 HydrophobicContact CD2-CB 4.11Å; W387-Q558 HydrophobicContact CE3-CB 3.66Å; W387-Q558 HydrophobicContact CH2-CB 4.13Å; W387-Q558 HydrophobicContact CZ3-CB 3.67Å; W387-P559 WeakPolarHBondContact CZ3-O 3.3Å; W387-M560 HydrophobicContact CB-SD 3.99Å; W387-M560 HydrophobicContact CD2-SD 4.44Å; W387-M560 HydrophobicContact CE3-SD 4.17Å; W387-M560 HydrophobicContact CG-SD 4.41Å; W387-D562 HydrophobicContact CZ3-CB 4.12Å; W387-M563 HydrophobicContact CD2-CG 4.46Å; W387-M563 HydrophobicContact CE3-CG 3.98Å; W387-M563 HydrophobicContact CH2-CG 3.53Å; W387-M563 HydrophobicContact CH2-SD 3.17Å; W387-M563 WeakPolarHBondContact CH2-SD 3.3Å; W387-M563 HydrophobicContact CZ2-CG 4.03Å; W387-M563 HydrophobicContact CZ2-SD 3.31Å; W387-M563 WeakPolarHBondContact CZ2-SD 3.45Å; W387-M563 HydrophobicContact CZ3-CB 4.44Å; W387-M563 HydrophobicContact CZ3-CG 3.49Å; W387-M563 VanDerWaalsContact CZ3-CG 3.49Å; W387-M563 HydrophobicContact CZ3-SD 3.84Å
388	Y	98.8	Very high	97.2	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	144	-178.2	-176.8	-101.4	0	0	0	113.2	E390 G453 F454 F455 Y510 F548 H550 P552 Y557 Q558 M560	Y388-E390 HydrophobicContact CE1-CG 3.63Å; Y388-E390 WeakPolarHBondContact OH-CG 3.46Å; Y388-E390 PolarHBondContact OH-OE1 3.19Å; Y388-G453 VanDerWaalsContact CE2-CA 3.48Å; Y388-G453 WeakPolarHBondContact OH-CA 3.18Å; Y388-F454 WeakPolarHBondContact CA-O 3.22Å; Y388-F454 WeakPolarHBondContact CD2-O 3.37Å; Y388-F455 HydrophobicContact CD2-CB 4.16Å; Y388-Y510 HydrophobicContact CE2-CD2 4.07Å; Y388-F548 AromaticContact CD1-CD1 3.99Å; Y388-F548 HydrophobicContact CD1-CD1 3.99Å; Y388-F548 HydrophobicContact CD1-CD2 4.12Å; Y388-F548 AromaticContact CD1-CE1 3.72Å; Y388-F548 HydrophobicContact CD1-CE1 3.72Å; Y388-F548 AromaticContact CD1-CE2 3.89Å; Y388-F548 HydrophobicContact CD1-CE2 3.89Å; Y388-F548 HydrophobicContact CD1-CG 4.16Å; Y388-F548 AromaticContact CD1-CZ 3.65Å; Y388-F548 HydrophobicContact CD1-CZ 3.65Å; Y388-F548 AromaticContact CE1-CD1 3.72Å; Y388-F548 HydrophobicContact CE1-CD1 3.72Å; Y388-F548 HydrophobicContact CE1-CD2 4.21Å; Y388-F548 AromaticContact CE1-CE1 3.92Å; Y388-F548 HydrophobicContact CE1-CE1 3.92Å; Y388-F548 HydrophobicContact CE1-CE2 4.4Å; Y388-F548 AromaticContact CE1-CG 3.85Å; Y388-F548 HydrophobicContact CE1-CG 3.85Å; Y388-F548 HydrophobicContact CE1-CZ 4.25Å; Y388-H550 PolarHBondContact OH-O 2.96Å; Y388-P552 HydrophobicContact CD1-CG 4.14Å; Y388-P552 HydrophobicContact CD2-CG 3.59Å; Y388-P552 VanDerWaalsContact CE1-CD 3.44Å; Y388-P552 HydrophobicContact CE1-CG 3.95Å; Y388-P552 HydrophobicContact CE2-CG 3.36Å; Y388-P552 HydrophobicContact CG-CG 3.97Å; Y388-P552 VanDerWaalsContact CZ-CD 3.42Å; Y388-Y557 VanDerWaalsContact CB-CD2 3.41Å; Y388-Y557 HydrophobicContact CD1-CD2 4.34Å; Y388-Y557 HydrophobicContact CD1-CE2 4.05Å; Y388-Y557 HydrophobicContact CG-CD2 4.18Å; Y388-Y557 HydrophobicContact CG-CE2 4.35Å; Y388-Y557 HydrophobicContact CG-CG 4.48Å; Y388-Q558 PolarHBondContact N-O 2.84Å; Y388-M560 PolarHBondContact O-N 2.99Å
389	F	98.9	Very high	96.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	164.7	166.3	72.9	-81.3	0	0	0	111.4	V391 W406 F454 P530 V542 F544 M560	F389-V391 HydrophobicContact CD2-CG2 3.95Å; F389-V391 HydrophobicContact CE2-CG2 3.51Å; F389-W406 AromaticContact CD1-CH2 3.87Å; F389-W406 HydrophobicContact CD1-CH2 3.87Å; F389-W406 AromaticContact CD1-CZ2 3.6Å; F389-W406 HydrophobicContact CD1-CZ2 3.6Å; F389-W406 HydrophobicContact CE1-CD2 4.17Å; F389-W406 AromaticContact CE1-CE2 3.59Å; F389-W406 AromaticContact CE1-CH2 3.92Å; F389-W406 HydrophobicContact CE1-CH2 3.92Å; F389-W406 AromaticContact CE1-CZ2 3.45Å; F389-W406 HydrophobicContact CE1-CZ2 3.45Å; F389-W406 VanDerWaalsContact CE1-CZ2 3.45Å; F389-W406 HydrophobicContact CE1-CZ3 4.45Å; F389-F454 HydrophobicContact CD1-CB 3.81Å; F389-F454 HydrophobicContact CD2-CD2 4.25Å; F389-F454 HydrophobicContact CE1-CB 3.35Å; F389-F454 HydrophobicContact CE1-CD2 4.42Å; F389-F454 HydrophobicContact CE1-CG 4.02Å; F389-F454 HydrophobicContact CE2-CB 4.19Å; F389-F454 AromaticContact CE2-CD2 3.72Å; F389-F454 HydrophobicContact CE2-CD2 3.72Å; F389-F454 HydrophobicContact CE2-CE2 4.45Å; F389-F454 HydrophobicContact CE2-CG 4.09Å; F389-F454 HydrophobicContact CG-CB 4.4Å; F389-F454 HydrophobicContact CZ-CB 3.55Å; F389-F454 HydrophobicContact CZ-CD1 4.42Å; F389-F454 AromaticContact CZ-CD2 3.8Å; F389-F454 HydrophobicContact CZ-CD2 3.8Å; F389-F454 AromaticContact CZ-CG 3.66Å; F389-F454 HydrophobicContact CZ-CG 3.66Å; F389-F454 PolarHBondContact N-O 3.46Å; F389-F454 PolarHBondContact O-N 2.99Å; F389-P530 HydrophobicContact CD1-CB 3.89Å; F389-P530 HydrophobicContact CD1-CG 3.81Å; F389-P530 HydrophobicContact CD2-CB 4.17Å; F389-P530 HydrophobicContact CE1-CB 3.57Å; F389-P530 HydrophobicContact CE1-CG 3.86Å; F389-P530 HydrophobicContact CE2-CB 3.87Å; F389-P530 HydrophobicContact CG-CB 4.19Å; F389-P530 HydrophobicContact CG-CG 4.27Å; F389-P530 HydrophobicContact CZ-CB 3.58Å; F389-P530 HydrophobicContact CZ-CG 4.37Å; F389-V542 HydrophobicContact CD2-CG2 3.92Å; F389-V542 HydrophobicContact CE2-CG2 4.43Å; F389-F544 HydrophobicContact CB-CD1 4.2Å; F389-M560 HydrophobicContact CB-CB 4.19Å; F389-M560 HydrophobicContact CB-CG 3.83Å; F389-M560 HydrophobicContact CD1-CG 4.16Å; F389-M560 HydrophobicContact CG-CG 4.37Å
390	E	98.8	Very high	97.1	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	152.1	175.4	-73.5	-179.2	165.7	0	0	112.6	Y388 T451 L452 V542 N543 F548 K549 H550	Y388-E390 HydrophobicContact CE1-CG 3.63Å; Y388-E390 WeakPolarHBondContact OH-CG 3.46Å; Y388-E390 PolarHBondContact OH-OE1 3.19Å; E390-T451 HydrophobicContact CB-CG2 4.19Å; E390-T451 HydrophobicContact CG-CG2 4.29Å; E390-L452 CarbonylContact C-O 3.54Å; E390-L452 WeakPolarHBondContact CA-O 3.37Å; E390-V542 WeakPolarHBondContact O-CG2 3.48Å; E390-N543 HydrophobicContact CB-CB 4.21Å; E390-N543 PolarHBondContact N-O 2.66Å; E390-N543 PolarHBondContact O-N 3.5Å; E390-F548 HydrophobicContact CB-CD1 4.23Å; E390-F548 HydrophobicContact CG-CD1 3.75Å; E390-F548 HydrophobicContact CG-CE1 4.48Å; E390-F548 HydrophobicContact CG-CG 4.48Å; E390-K549 PolarHBondContact OE2-N 3.32Å; E390-H550 WeakPolarHBondContact OE1-CA 3.28Å; E390-H550 PolarHBondContact OE1-N 2.91Å; E390-H550 VanDerWaalsContact OE1-O 3.07Å
391	V	98.9	Very high	97.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	126.4	168.4	-176.2	0	0	0	0	108.8	F389 L404 L452 F454 I532 V540 S541 V542	F389-V391 HydrophobicContact CD2-CG2 3.95Å; F389-V391 HydrophobicContact CE2-CG2 3.51Å; V391-L404 HydrophobicContact CB-CD1 4.19Å; V391-L404 HydrophobicContact CG1-CD1 3.87Å; V391-L404 HydrophobicContact CG1-CD2 4.28Å; V391-L452 PolarHBondContact N-O 3.03Å; V391-L452 PolarHBondContact O-N 3.34Å; V391-F454 HydrophobicContact CB-CE2 3.95Å; V391-F454 HydrophobicContact CG2-CD2 4.11Å; V391-F454 HydrophobicContact CG2-CE2 3.74Å; V391-I532 HydrophobicContact CG2-CD1 4.46Å; V391-V540 HydrophobicContact CG1-CB 3.77Å; V391-V540 HydrophobicContact CG1-CG1 4.43Å; V391-V540 HydrophobicContact CG1-CG2 3.99Å; V391-S541 CarbonylContact C-O 3.28Å; V391-S541 VanDerWaalsContact CA-O 3.29Å; V391-S541 WeakPolarHBondContact CA-O 3.46Å; V391-V542 HydrophobicContact CG2-CG2 4.35Å
392	S	98.8	Very high	97.2	Very high	27 Å²	27	33.3 Å²	33.3	19%	0.189	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	138.8	171.6	-62.4	0	0	0	0	110.7	D394 T451 V540 S541	S392-D394 PolarHBondContact O-N 2.79Å; S392-T451 PolarHBondContact OG-OG1 2.97Å; S392-V540 VanDerWaalsContact O-CA 3.3Å; S392-V540 WeakPolarHBondContact O-CA 3.32Å; S392-V540 WeakPolarHBondContact O-CB 3.34Å; S392-S541 PolarHBondContact N-O 2.82Å; S392-S541 PolarHBondContact O-N 2.93Å
393	I	98.7	Very high	97.3	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	97.8	176.9	-49.2	-57.5	0	0	0	108.9	M396 L404 Y446 G447 G449 D450 L452 V540	I393-M396 HydrophobicContact CD1-CE 4.36Å; I393-M396 HydrophobicContact CG2-CB 3.88Å; I393-M396 HydrophobicContact CG2-CE 3.55Å; I393-M396 HydrophobicContact CG2-SD 4.47Å; I393-L404 HydrophobicContact CD1-CD1 3.75Å; I393-Y446 HydrophobicContact CD1-CD2 4.11Å; I393-Y446 HydrophobicContact CD1-CE2 3.87Å; I393-Y446 HydrophobicContact CG1-CD2 4.05Å; I393-Y446 HydrophobicContact CG1-CE2 4.33Å; I393-G447 VanDerWaalsContact CB-O 3.31Å; I393-G447 WeakPolarHBondContact CB-O 3.36Å; I393-G449 PolarHBondContact O-N 3.14Å; I393-D450 PolarHBondContact N-O 3.17Å; I393-L452 HydrophobicContact CD1-CD1 4.13Å; I393-L452 HydrophobicContact CG1-CD1 4.35Å; I393-V540 HydrophobicContact CD1-CG1 3.7Å
394	D	97.6	Very high	97.4	Very high	58 Å²	58	32.8 Å²	32.8	31%	0.31	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-48.1	-174	-49	-43.2	0	0	0	111.2	S392 Q448 T539 V540 S541	S392-D394 PolarHBondContact O-N 2.79Å; D394-Q448 WeakPolarHBondContact O-CG 3.44Å; D394-Q448 PolarHBondContact O-NE2 2.67Å; D394-T539 HydrophobicContact CB-CG2 4.28Å; D394-T539 PolarHBondContact N-O 3.44Å; D394-T539 VanDerWaalsContact N-O 3.11Å; D394-V540 WeakPolarHBondContact OD2-CA 3.35Å; D394-S541 PolarHBondContact OD1-OG 2.9Å; D394-S541 WeakPolarHBondContact OD2-CB 3.43Å; D394-S541 PolarHBondContact OD2-N 3.48Å; D394-S541 PolarHBondContact OD2-OG 3.03Å
395	E	97.5	Very high	97.6	Very high	105 Å²	105	28.9 Å²	28.9	49%	0.491	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	126.2	178.2	-59.5	-177.5	166.6	0	0	110.8	C538 T539	E395-C538 WeakPolarHBondContact O-CA 3.38Å; E395-C538 PolarHBondContact O-SG 3.25Å; E395-C538 VanDerWaalsContact O-SG 3.35Å; E395-T539 PolarHBondContact N-O 3.14Å; E395-T539 VanDerWaalsContact N-O 3.09Å; E395-T539 PolarHBondContact O-N 3.32Å
396	M	97.1	Very high	97.6	Very high	32 Å²	32	28 Å²	28	16%	0.158	16%	0.157	C	C	.	.			trans	-136.2	74.7	173.3	-166.9	175	-76.3	0	0	110.9	I393 T400 A402 Y446 Q448	I393-M396 HydrophobicContact CD1-CE 4.36Å; I393-M396 HydrophobicContact CG2-CB 3.88Å; I393-M396 HydrophobicContact CG2-CE 3.55Å; I393-M396 HydrophobicContact CG2-SD 4.47Å; M396-T400 VanDerWaalsContact CG-OG1 3.24Å; M396-T400 WeakPolarHBondContact CG-OG1 3.27Å; M396-A402 HydrophobicContact CE-CB 3.98Å; M396-Y446 HydrophobicContact CE-CD2 4.45Å; M396-Y446 HydrophobicContact CE-CE2 4.3Å; M396-Q448 HydrophobicContact CB-CB 4.21Å
397	P	95.5	Very high	97.7	Very high	56 Å²	56	26.7 Å²	26.7	36%	0.364	15%	0.148	S	C	.	.			trans	-56.2	163.5	176.2	-23	31.4	0	0	0	113.1	T400	P397-T400 HydrophobicContact CB-CG2 3.97Å; P397-T400 HydrophobicContact CG-CG2 4.19Å; P397-T400 WeakPolarHBondContact O-CB 3.44Å; P397-T400 WeakPolarHBondContact O-CG2 3.32Å; P397-T400 PolarHBondContact O-N 3.24Å; P397-T400 PolarHBondContact O-OG1 3.2Å
398	P	93.5	Very high	97.6	Very high	119 Å²	119	26.4 Å²	26.4	77%	0.773	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	147.2	171.2	-25.5	34.9	0	0	0	112.2	T400	P398-T400 PolarHBondContact O-N 2.94Å
399	D	92.8	Very high	97.4	Very high	104 Å²	104	27.9 Å²	27.9	56%	0.556	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	10.9	-176.6	-62	-35.9	0	0	0	117.1	Y535	D399-Y535 WeakPolarHBondContact O-CD1 3.47Å; D399-Y535 VanDerWaalsContact O-CE1 3.27Å; D399-Y535 WeakPolarHBondContact O-CE1 3.38Å
400	T	96.8	Very high	97.2	Very high	8 Å²	8	29.5 Å²	29.5	5%	0.049	17%	0.165	C	C	.	.			trans	-91.3	163.4	166.3	71.2	0	0	0	0	111.1	M396 P397 P398 K429 R536	M396-T400 VanDerWaalsContact CG-OG1 3.24Å; M396-T400 WeakPolarHBondContact CG-OG1 3.27Å; P397-T400 HydrophobicContact CB-CG2 3.97Å; P397-T400 HydrophobicContact CG-CG2 4.19Å; P397-T400 WeakPolarHBondContact O-CB 3.44Å; P397-T400 WeakPolarHBondContact O-CG2 3.32Å; P397-T400 PolarHBondContact O-N 3.24Å; P397-T400 PolarHBondContact O-OG1 3.2Å; P398-T400 PolarHBondContact O-N 2.94Å; T400-K429 WeakPolarHBondContact O-CE 3.14Å; T400-R536 HydrophobicContact CG2-CB 4.01Å
401	A	96.9	Very high	97	Very high	3 Å²	3	29.6 Å²	29.6	3%	0.025	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	151.2	172.8	0	0	0	0	0	110.7	Y373 K429 Y535	Y373-A401 VanDerWaalsContact OH-CB 3.27Å; Y373-A401 WeakPolarHBondContact OH-CB 3.28Å; A401-K429 HydrophobicContact CB-CD 4.42Å; A401-K429 HydrophobicContact CB-CG 4.39Å; A401-Y535 PolarHBondContact N-O 3.23Å; A401-Y535 WeakPolarHBondContact O-CB 3.35Å; A401-Y535 PolarHBondContact O-N 3.29Å
402	A	98.3	Very high	96.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	149.5	173.4	0	0	0	0	0	110.3	M396 L404 R427 S428 Y446 S533 L534	M396-A402 HydrophobicContact CE-CB 3.98Å; A402-L404 HydrophobicContact CB-CD2 4.31Å; A402-L404 HydrophobicContact CB-CG 4.25Å; A402-R427 WeakPolarHBondContact O-CA 3.35Å; A402-S428 PolarHBondContact N-OG 3.36Å; A402-S428 VanDerWaalsContact N-OG 3.09Å; A402-S428 PolarHBondContact O-N 2.93Å; A402-Y446 HydrophobicContact CB-CE2 4.39Å; A402-Y446 PolarHBondContact O-OH 3.49Å; A402-S533 CarbonylContact C-O 3.44Å; A402-S533 WeakPolarHBondContact CA-O 3.44Å; A402-L534 HydrophobicContact CB-CD2 3.91Å
403	R	98.6	Very high	96.6	Very high	25 Å²	25	32.4 Å²	32.4	9%	0.094	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	117.4	164.6	-68.6	-168.8	-167.3	-168.9	-0.4	108.6	Y373 L417 W426 R427 S533	Y373-R403 HydrophobicContact CE1-CG 4.03Å; R403-L417 HydrophobicContact CB-CB 4.17Å; R403-L417 WeakPolarHBondContact CD-O 3.48Å; R403-L417 PolarHBondContact NH1-O 2.95Å; R403-W426 VanDerWaalsContact CA-O 3.28Å; R403-W426 WeakPolarHBondContact CA-O 3.46Å; R403-R427 HydrophobicContact CG-CB 4.07Å; R403-R427 HydrophobicContact CG-CG 4.06Å; R403-S533 PolarHBondContact N-O 2.95Å; R403-S533 PolarHBondContact O-N 2.79Å
404	L	98.8	Very high	96.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145	-170.3	-54	174	0	0	0	109.4	V391 I393 A402 S425 W426 Y446 L452 F454 I532	V391-L404 HydrophobicContact CB-CD1 4.19Å; V391-L404 HydrophobicContact CG1-CD1 3.87Å; V391-L404 HydrophobicContact CG1-CD2 4.28Å; I393-L404 HydrophobicContact CD1-CD1 3.75Å; A402-L404 HydrophobicContact CB-CD2 4.31Å; A402-L404 HydrophobicContact CB-CG 4.25Å; L404-S425 CarbonylContact O-C 3.31Å; L404-S425 WeakPolarHBondContact O-CA 3.36Å; L404-W426 PolarHBondContact N-O 3.25Å; L404-W426 PolarHBondContact O-N 2.85Å; L404-Y446 HydrophobicContact CD1-CE2 4.02Å; L404-L452 HydrophobicContact CD1-CD1 3.75Å; L404-F454 HydrophobicContact CB-CE1 3.75Å; L404-F454 HydrophobicContact CB-CE2 4.2Å; L404-F454 HydrophobicContact CB-CZ 3.35Å; L404-F454 HydrophobicContact CD1-CZ 4.06Å; L404-F454 HydrophobicContact CG-CZ 4.36Å; L404-I532 HydrophobicContact CD2-CB 4.12Å; L404-I532 HydrophobicContact CD2-CG1 4.03Å; L404-I532 HydrophobicContact CD2-CG2 3.68Å
405	G	98.8	Very high	96.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.2	-133.7	-179	0	0	0	0	0	112.8	A531	G405-A531 PolarHBondContact N-O 2.92Å; G405-A531 PolarHBondContact O-N 3.39Å
406	W	98.9	Very high	96.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.3	-172.1	-63.4	91.6	0	0	0	111.7	V382 W387 F389 S423 Y424 I456 M507 Y528 F529 P530 M560	V382-W406 HydrophobicContact CG2-CH2 4.31Å; V382-W406 HydrophobicContact CG2-CZ3 3.83Å; W387-W406 HydrophobicContact CB-CH2 4.36Å; F389-W406 AromaticContact CD1-CH2 3.87Å; F389-W406 HydrophobicContact CD1-CH2 3.87Å; F389-W406 AromaticContact CD1-CZ2 3.6Å; F389-W406 HydrophobicContact CD1-CZ2 3.6Å; F389-W406 HydrophobicContact CE1-CD2 4.17Å; F389-W406 AromaticContact CE1-CE2 3.59Å; F389-W406 AromaticContact CE1-CH2 3.92Å; F389-W406 HydrophobicContact CE1-CH2 3.92Å; F389-W406 AromaticContact CE1-CZ2 3.45Å; F389-W406 HydrophobicContact CE1-CZ2 3.45Å; F389-W406 VanDerWaalsContact CE1-CZ2 3.45Å; F389-W406 HydrophobicContact CE1-CZ3 4.45Å; W406-S423 WeakPolarHBondContact O-CA 3.37Å; W406-Y424 PolarHBondContact N-O 3.15Å; W406-Y424 PolarHBondContact O-N 2.97Å; W406-I456 HydrophobicContact CD2-CB 4.23Å; W406-I456 HydrophobicContact CD2-CD1 4.08Å; W406-I456 HydrophobicContact CD2-CG2 4.19Å; W406-I456 HydrophobicContact CE3-CD1 4.28Å; W406-I456 HydrophobicContact CE3-CG2 4.26Å; W406-I456 HydrophobicContact CG-CD1 4.27Å; W406-I456 HydrophobicContact CH2-CB 4.32Å; W406-I456 HydrophobicContact CH2-CG2 3.38Å; W406-I456 HydrophobicContact CZ2-CB 3.74Å; W406-I456 HydrophobicContact CZ2-CG2 3.26Å; W406-I456 HydrophobicContact CZ3-CG2 3.88Å; W406-M507 HydrophobicContact CB-CE 3.62Å; W406-M507 HydrophobicContact CB-SD 4.32Å; W406-M507 HydrophobicContact CG-CE 3.9Å; W406-M507 HydrophobicContact CG-SD 4.29Å; W406-Y528 HydrophobicContact CB-CD1 3.99Å; W406-F529 WeakPolarHBondContact CA-O 3.44Å; W406-F529 VanDerWaalsContact CE3-C 3.46Å; W406-P530 HydrophobicContact CE3-CG 4.35Å; W406-P530 HydrophobicContact CH2-CG 4.07Å; W406-P530 HydrophobicContact CZ3-CG 3.78Å; W406-M560 HydrophobicContact CH2-CG 4.23Å; W406-M560 HydrophobicContact CH2-SD 3.66Å; W406-M560 HydrophobicContact CZ3-SD 4.03Å
407	S	98.6	Very high	96.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	139.9	176.2	-175.1	0	0	0	0	110.9	F529	S407-F529 PolarHBondContact N-O 2.86Å; S407-F529 PolarHBondContact O-N 2.9Å
408	Q	97.6	Very high	96.5	Very high	13 Å²	13	26.7 Å²	26.7	6%	0.061	15%	0.15	C	C	.	.			trans	-75.7	166.1	161	-58	-170.6	-0.3	0	0	110.6	L410 G411 F422 F524 E525 L527 Y528	Q408-L410 VanDerWaalsContact C-N 3.27Å; Q408-L410 PolarHBondContact O-N 2.8Å; Q408-G411 PolarHBondContact O-N 3.2Å; Q408-G411 VanDerWaalsContact O-N 3.14Å; Q408-F422 HydrophobicContact CB-CB 4.11Å; Q408-F422 HydrophobicContact CB-CD1 4.4Å; Q408-F422 PolarHBondContact N-O 3.44Å; Q408-F524 PolarHBondContact NE2-O 2.76Å; Q408-E525 PolarHBondContact NE2-O 3.07Å; Q408-E525 VanDerWaalsContact NE2-O 3.13Å; Q408-L527 VanDerWaalsContact CA-O 3.29Å; Q408-L527 WeakPolarHBondContact CA-O 3.45Å; Q408-Y528 HydrophobicContact CG-CD1 3.95Å; Q408-Y528 HydrophobicContact CG-CD2 4.36Å; Q408-Y528 HydrophobicContact CG-CE1 3.67Å; Q408-Y528 HydrophobicContact CG-CE2 4.1Å; Q408-Y528 HydrophobicContact CG-CG 4.3Å; Q408-Y528 VanDerWaalsContact NE2-CZ 3.33Å; Q408-Y528 PolarHBondContact NE2-OH 2.8Å; Q408-Y528 VanDerWaalsContact NE2-OH 3.16Å
409	P	93.7	Very high	96.7	Very high	33 Å²	33	26.9 Å²	26.9	21%	0.214	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-38.2	-175	-27.8	31.3	0	0	0	115.1	R377 G411 L527 F529	R377-P409 PolarHBondContact NH1-O 3.5Å; R377-P409 PolarHBondContact NH2-O 2.86Å; P409-G411 PolarHBondContact O-N 3.42Å; P409-L527 WeakPolarHBondContact CD-O 3.46Å; P409-L527 HydrophobicContact CG-CD2 4.49Å; P409-F529 HydrophobicContact CG-CE2 3.79Å
410	L	94.6	Very high	96.8	Very high	33 Å²	33	22.8 Å²	22.8	17%	0.173	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	6	-174.1	-59.7	178.5	0	0	0	113.8	Q408 N412 F422 D490 A495	Q408-L410 VanDerWaalsContact C-N 3.27Å; Q408-L410 PolarHBondContact O-N 2.8Å; L410-N412 PolarHBondContact O-N 2.95Å; L410-F422 HydrophobicContact CB-CD1 4.13Å; L410-F422 HydrophobicContact CB-CD2 3.93Å; L410-F422 HydrophobicContact CB-CE1 4.15Å; L410-F422 HydrophobicContact CB-CE2 3.98Å; L410-F422 HydrophobicContact CB-CG 4.01Å; L410-F422 HydrophobicContact CB-CZ 4.07Å; L410-F422 HydrophobicContact CD1-CE1 4.15Å; L410-F422 HydrophobicContact CD1-CZ 4.09Å; L410-D490 HydrophobicContact CD2-CB 3.87Å; L410-D490 WeakPolarHBondContact CD2-OD1 3.27Å; L410-A495 HydrophobicContact CD1-CB 3.2Å
411	G	95.3	Very high	96.9	Very high	4 Å²	4	25.4 Å²	25.4	4%	0.041	13%	0.125	C	C	.	.	S	Bend	trans	-61.4	132.9	172.1	0	0	0	0	0	111.2	R377 Q408 P409 L413 D420	R377-G411 PolarHBondContact NH1-O 3.46Å; Q408-G411 PolarHBondContact O-N 3.2Å; Q408-G411 VanDerWaalsContact O-N 3.14Å; P409-G411 PolarHBondContact O-N 3.42Å; G411-L413 PolarHBondContact O-N 2.79Å; G411-D420 VanDerWaalsContact CA-OD2 3.3Å; G411-D420 WeakPolarHBondContact CA-OD2 3.33Å
412	N	94.4	Very high	96.9	Very high	75 Å²	75	25.4 Å²	25.4	40%	0.401	12%	0.124	S	C	.	.			trans	-72.4	112	-174.6	-177.8	-8.5	0	0	0	111.6	L410 Q414 A415 D420	L410-N412 PolarHBondContact O-N 2.95Å; N412-Q414 PolarHBondContact O-N 3.38Å; N412-Q414 WeakPolarHBondContact OD1-CB 3.33Å; N412-Q414 PolarHBondContact OD1-N 2.9Å; N412-A415 HydrophobicContact CB-CB 3.87Å; N412-A415 PolarHBondContact O-N 3.04Å; N412-D420 PolarHBondContact N-OD2 3.27Å
413	L	95.2	Very high	96.9	Very high	11 Å²	11	25.5 Å²	25.5	6%	0.058	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.6	-178.6	-66.2	171.6	0	0	0	114.1	N303 A355 M375 G411 A415	N303-L413 HydrophobicContact CB-CD1 4.06Å; A355-L413 WeakPolarHBondContact CB-O 3.34Å; M375-L413 HydrophobicContact CB-CD2 4.46Å; M375-L413 HydrophobicContact CE-CD2 3.81Å; M375-L413 HydrophobicContact CG-CD2 4.45Å; M375-L413 PolarHBondContact N-O 2.5Å; G411-L413 PolarHBondContact O-N 2.79Å; L413-A415 VanDerWaalsContact C-N 3.34Å
414	Q	93.9	Very high	96.9	Very high	97 Å²	97	24.7 Å²	24.7	45%	0.453	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-1.1	177.7	-64.2	-65.7	-29.4	0	0	113.1	N412	N412-Q414 PolarHBondContact O-N 3.38Å; N412-Q414 WeakPolarHBondContact OD1-CB 3.33Å; N412-Q414 PolarHBondContact OD1-N 2.9Å
415	A	95.2	Very high	96.9	Very high	8 Å²	8	24.7 Å²	24.7	7%	0.066	12%	0.122	C	C	.	.	S	Bend	trans	-110.4	159.9	-178.5	0	0	0	0	0	111.4	N412 L413 Y419	N412-A415 HydrophobicContact CB-CB 3.87Å; N412-A415 PolarHBondContact O-N 3.04Å; L413-A415 VanDerWaalsContact C-N 3.34Å; A415-Y419 HydrophobicContact CB-CD1 3.62Å; A415-Y419 HydrophobicContact CB-CE1 4.35Å; A415-Y419 HydrophobicContact CB-CG 3.74Å
416	P	97.4	Very high	96.9	Very high	27 Å²	27	24.7 Å²	24.7	18%	0.175	12%	0.122	C	C	.	.			trans	-63.2	138.3	169.6	22.2	-29.2	0	0	0	111.1	Y373 G418 Y419 S533	Y373-P416 HydrophobicContact CD1-CB 3.76Å; Y373-P416 HydrophobicContact CD2-CB 4.02Å; Y373-P416 HydrophobicContact CD2-CG 4.38Å; Y373-P416 HydrophobicContact CE1-CB 4.29Å; Y373-P416 HydrophobicContact CG-CB 3.61Å; Y373-P416 HydrophobicContact CG-CG 4.27Å; P416-G418 PolarHBondContact O-N 2.93Å; P416-Y419 WeakPolarHBondContact O-CB 3.28Å; P416-Y419 PolarHBondContact O-N 3.36Å; P416-S533 WeakPolarHBondContact CA-OG 3.3Å
417	L	98.4	Very high	96.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	131.7	172.6	-171.1	72.9	0	0	0	110.6	M375 R403 S425 A531 S533	M375-L417 HydrophobicContact CG-CD1 4.49Å; M375-L417 HydrophobicContact SD-CB 4.06Å; M375-L417 HydrophobicContact SD-CD1 3.26Å; M375-L417 WeakPolarHBondContact SD-CD1 3.26Å; M375-L417 HydrophobicContact SD-CG 4.24Å; R403-L417 HydrophobicContact CB-CB 4.17Å; R403-L417 WeakPolarHBondContact CD-O 3.48Å; R403-L417 PolarHBondContact NH1-O 2.95Å; L417-S425 WeakPolarHBondContact O-CB 3.35Å; L417-S425 PolarHBondContact O-OG 2.85Å; L417-A531 HydrophobicContact CD1-CB 3.58Å; L417-A531 HydrophobicContact CD2-CB 4.03Å; L417-A531 WeakPolarHBondContact CD2-O 3.26Å; L417-A531 HydrophobicContact CG-CB 4.48Å; L417-S533 PolarHBondContact N-OG 3.38Å
418	G	98	Very high	96.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	12.1	-172.4	0	0	0	0	0	114.5	P416 S423 F434 H435 Q436 S437	P416-G418 PolarHBondContact O-N 2.93Å; G418-S423 WeakPolarHBondContact CA-OG 3.45Å; G418-S423 PolarHBondContact N-OG 2.64Å; G418-F434 WeakPolarHBondContact CA-O 3.33Å; G418-H435 CarbonylContact O-C 3.6Å; G418-H435 WeakPolarHBondContact O-CA 3.26Å; G418-Q436 PolarHBondContact O-N 3.04Å; G418-S437 PolarHBondContact O-N 2.81Å
419	Y	97.9	Very high	96.6	Very high	123 Å²	123	31.3 Å²	31.3	48%	0.482	15%	0.149	S	C	.	.	S	Bend	trans	-71.8	-43.6	174.1	171	-104.6	0	0	0	112.3	A415 P416 Q436 S437	A415-Y419 HydrophobicContact CB-CD1 3.62Å; A415-Y419 HydrophobicContact CB-CE1 4.35Å; A415-Y419 HydrophobicContact CB-CG 3.74Å; P416-Y419 WeakPolarHBondContact O-CB 3.28Å; P416-Y419 PolarHBondContact O-N 3.36Å; Y419-Q436 CarbonylContact O-C 3.57Å; Y419-Q436 VanDerWaalsContact O-C 3.31Å; Y419-Q436 WeakPolarHBondContact O-CA 3.48Å; Y419-S437 WeakPolarHBondContact CA-OG 3.45Å; Y419-S437 WeakPolarHBondContact CD2-OG 3.11Å; Y419-S437 PolarHBondContact O-N 3.14Å; Y419-S437 PolarHBondContact O-OG 3.33Å
420	D	96.2	Very high	96.6	Very high	18 Å²	18	37.5 Å²	37.5	10%	0.096	17%	0.173	C	C	.	.	S	Bend	trans	-103.3	-174.9	-175.7	53.4	43.8	0	0	0	112.3	G411 N412 F422 S423 Q436	G411-D420 VanDerWaalsContact CA-OD2 3.3Å; G411-D420 WeakPolarHBondContact CA-OD2 3.33Å; N412-D420 PolarHBondContact N-OD2 3.27Å; D420-F422 VanDerWaalsContact C-N 3.29Å; D420-F422 HydrophobicContact CB-CD2 4.32Å; D420-F422 WeakPolarHBondContact OD1-CA 3.41Å; D420-F422 WeakPolarHBondContact OD1-CB 3.33Å; D420-F422 PolarHBondContact OD1-N 3.42Å; D420-S423 WeakPolarHBondContact OD1-CB 3.27Å; D420-S423 PolarHBondContact OD1-N 3.23Å; D420-S423 PolarHBondContact OD1-OG 3.22Å; D420-Q436 WeakPolarHBondContact O-CA 3.17Å; D420-Q436 PolarHBondContact O-N 3.3Å; D420-Q436 VanDerWaalsContact O-N 3.07Å
421	K	97.5	Very high	96.7	Very high	64 Å²	64	36 Å²	36	28%	0.278	17%	0.165	S	C	.	.	S	Bend	trans	-76.8	-15.8	175.2	-66.7	173.4	-174.1	158.6	0	113.3	H435 Q436 E496 L499 F524	K421-H435 PolarHBondContact O-CE1 3.18Å; K421-Q436 HydrophobicContact CB-CG 4.28Å; K421-Q436 HydrophobicContact CG-CG 3.65Å; K421-E496 HydrophobicContact CD-CB 4.46Å; K421-E496 HydrophobicContact CD-CG 4.2Å; K421-E496 IonicContact NZ-OE2 3.89Å; K421-E496 PolarHBondContact NZ-OE2 3.09Å; K421-L499 HydrophobicContact CB-CD1 3.64Å; K421-L499 HydrophobicContact CD-CD1 4.03Å; K421-L499 HydrophobicContact CG-CD1 4.46Å; K421-F524 HydrophobicContact CB-CE2 4.22Å; K421-F524 WeakPolarHBondContact O-CD2 3.41Å
422	F	97.8	Very high	96.8	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.013	17%	0.167	C	C	.	.	S	Bend	trans	-88.8	-7.9	-173.2	-60.4	-68.3	0	0	0	112.5	Q408 L410 D420 V492 A495 E496 L499	Q408-F422 HydrophobicContact CB-CB 4.11Å; Q408-F422 HydrophobicContact CB-CD1 4.4Å; Q408-F422 PolarHBondContact N-O 3.44Å; L410-F422 HydrophobicContact CB-CD1 4.13Å; L410-F422 HydrophobicContact CB-CD2 3.93Å; L410-F422 HydrophobicContact CB-CE1 4.15Å; L410-F422 HydrophobicContact CB-CE2 3.98Å; L410-F422 HydrophobicContact CB-CG 4.01Å; L410-F422 HydrophobicContact CB-CZ 4.07Å; L410-F422 HydrophobicContact CD1-CE1 4.15Å; L410-F422 HydrophobicContact CD1-CZ 4.09Å; D420-F422 VanDerWaalsContact C-N 3.29Å; D420-F422 HydrophobicContact CB-CD2 4.32Å; D420-F422 WeakPolarHBondContact OD1-CA 3.41Å; D420-F422 WeakPolarHBondContact OD1-CB 3.33Å; D420-F422 PolarHBondContact OD1-N 3.42Å; F422-V492 HydrophobicContact CE2-CG1 3.82Å; F422-V492 HydrophobicContact CZ-CG1 4.37Å; F422-A495 HydrophobicContact CE1-CB 4.16Å; F422-A495 HydrophobicContact CZ-CB 4.03Å; F422-E496 HydrophobicContact CE2-CG 3.57Å; F422-E496 HydrophobicContact CZ-CB 4.33Å; F422-E496 HydrophobicContact CZ-CG 3.44Å; F422-E496 VanDerWaalsContact CZ-CG 3.44Å; F422-L499 HydrophobicContact CD1-CD1 4.39Å; F422-L499 HydrophobicContact CD1-CD2 4.24Å; F422-L499 HydrophobicContact CE1-CD1 3.98Å; F422-L499 HydrophobicContact CE1-CD2 3.96Å; F422-L499 HydrophobicContact CE1-CG 4.24Å; F422-L499 HydrophobicContact CZ-CD1 4.44Å
423	S	98.1	Very high	97	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.007	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	151.2	-172.5	56.5	0	0	0	0	114.2	W406 G418 D420 H435	W406-S423 WeakPolarHBondContact O-CA 3.37Å; G418-S423 WeakPolarHBondContact CA-OG 3.45Å; G418-S423 PolarHBondContact N-OG 2.64Å; D420-S423 WeakPolarHBondContact OD1-CB 3.27Å; D420-S423 PolarHBondContact OD1-N 3.23Å; D420-S423 PolarHBondContact OD1-OG 3.22Å; S423-H435 PolarHBondContact O-ND1 3.3Å
424	Y	98.8	Very high	97.1	Very high	9 Å²	9	36.5 Å²	36.5	4%	0.035	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	125.7	-177.4	-59.6	-98.3	0	0	0	108.2	W406 H435 M507 Y520 L523 F524 Y528	W406-Y424 PolarHBondContact N-O 3.15Å; W406-Y424 PolarHBondContact O-N 2.97Å; Y424-H435 HydrophobicContact CD1-CB 4.07Å; Y424-H435 AromaticContact CD1-CG 3.79Å; Y424-H435 AromaticContact CD1-ND1 3.52Å; Y424-H435 HydrophobicContact CE1-CB 4.45Å; Y424-H435 AromaticContact CE1-CD2 3.99Å; Y424-H435 AromaticContact CE1-CE1 3.39Å; Y424-H435 WeakPolarHBondContact CE1-CE1 3.18Å; Y424-H435 AromaticContact CE1-CG 3.72Å; Y424-H435 AromaticContact CE1-ND1 3.35Å; Y424-H435 WeakPolarHBondContact CE1-ND1 3.43Å; Y424-H435 AromaticContact CE1-NE2 3.82Å; Y424-H435 AromaticContact CG-ND1 4Å; Y424-H435 AromaticContact CZ-CE1 3.36Å; Y424-H435 AromaticContact CZ-ND1 3.66Å; Y424-H435 PolarHBondContact OH-CE1 3.34Å; Y424-M507 HydrophobicContact CD2-CE 3.9Å; Y424-M507 HydrophobicContact CG-CE 4Å; Y424-M507 HydrophobicContact CG-SD 4.16Å; Y424-Y520 AromaticContact CD1-CD1 3.56Å; Y424-Y520 HydrophobicContact CD1-CD1 3.56Å; Y424-Y520 HydrophobicContact CD1-CD2 4.15Å; Y424-Y520 AromaticContact CD1-CE1 3.8Å; Y424-Y520 HydrophobicContact CD1-CE1 3.8Å; Y424-Y520 HydrophobicContact CD1-CE2 4.37Å; Y424-Y520 AromaticContact CD1-CG 3.73Å; Y424-Y520 HydrophobicContact CD1-CG 3.73Å; Y424-Y520 HydrophobicContact CE1-CD1 4.2Å; Y424-Y520 HydrophobicContact CE1-CG 4.5Å; Y424-Y520 HydrophobicContact CG-CD2 4.48Å; Y424-Y520 HydrophobicContact CG-CG 4.46Å; Y424-L523 HydrophobicContact CD1-CD2 4.41Å; Y424-L523 HydrophobicContact CE1-CD2 4.11Å; Y424-F524 WeakPolarHBondContact OH-CD2 3.49Å; Y424-F524 PolarHBondContact OH-N 3.16Å; Y424-Y528 AromaticContact CD2-CE1 3.84Å; Y424-Y528 HydrophobicContact CD2-CE1 3.84Å; Y424-Y528 AromaticContact CE2-CE1 3.75Å; Y424-Y528 HydrophobicContact CE2-CE1 3.75Å; Y424-Y528 WeakPolarHBondContact CE2-OH 3.32Å
425	S	98.6	Very high	97.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	165	-175.2	71.2	0	0	0	0	114.6	L404 L417 R433 F434 Y520	L404-S425 CarbonylContact O-C 3.31Å; L404-S425 WeakPolarHBondContact O-CA 3.36Å; L417-S425 WeakPolarHBondContact O-CB 3.35Å; L417-S425 PolarHBondContact O-OG 2.85Å; S425-R433 CarbonylContact O-C 3.5Å; S425-R433 WeakPolarHBondContact O-CA 3.2Å; S425-F434 PolarHBondContact N-O 3.36Å; S425-F434 PolarHBondContact O-N 3.12Å; S425-F434 WeakPolarHBondContact OG-CB 3.24Å; S425-F434 PolarHBondContact OG-O 2.58Å; S425-Y520 PolarHBondContact N-OH 3.14Å; S425-Y520 PolarHBondContact O-OH 3.44Å
426	W	98.6	Very high	97.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.8	167.6	-173.7	29.8	0	0	0	108.9	R403 L404 Y442 S443 Y446 L452 F454 F509 K511 L516	R403-W426 VanDerWaalsContact CA-O 3.28Å; R403-W426 WeakPolarHBondContact CA-O 3.46Å; L404-W426 PolarHBondContact N-O 3.25Å; L404-W426 PolarHBondContact O-N 2.85Å; W426-Y442 AromaticContact CD1-CD1 3.96Å; W426-Y442 AromaticContact NE1-CD1 3.75Å; W426-S443 WeakPolarHBondContact CZ2-OG 3.16Å; W426-S443 PolarHBondContact NE1-OG 3.31Å; W426-Y446 AromaticContact CD2-CD1 3.87Å; W426-Y446 HydrophobicContact CD2-CD1 3.87Å; W426-Y446 AromaticContact CD2-CE1 3.55Å; W426-Y446 HydrophobicContact CD2-CE1 3.55Å; W426-Y446 AromaticContact CE2-CD1 3.64Å; W426-Y446 AromaticContact CE2-CE1 3.76Å; W426-Y446 HydrophobicContact CE3-CD1 4.07Å; W426-Y446 AromaticContact CE3-CE1 3.83Å; W426-Y446 HydrophobicContact CE3-CE1 3.83Å; W426-Y446 AromaticContact CG-CE1 3.9Å; W426-Y446 HydrophobicContact CG-CE1 3.9Å; W426-Y446 AromaticContact CH2-CD1 3.79Å; W426-Y446 HydrophobicContact CH2-CD1 3.79Å; W426-Y446 HydrophobicContact CH2-CE1 4.39Å; W426-Y446 AromaticContact CZ2-CD1 3.59Å; W426-Y446 HydrophobicContact CZ2-CD1 3.59Å; W426-Y446 HydrophobicContact CZ2-CE1 4.17Å; W426-Y446 HydrophobicContact CZ3-CD1 4.05Å; W426-Y446 HydrophobicContact CZ3-CE1 4.26Å; W426-Y446 PolarHBondContact O-OH 2.99Å; W426-L452 HydrophobicContact CE3-CD1 4.33Å; W426-L452 HydrophobicContact CH2-CD2 3.83Å; W426-L452 HydrophobicContact CZ3-CB 4.12Å; W426-L452 HydrophobicContact CZ3-CD1 3.96Å; W426-L452 HydrophobicContact CZ3-CD2 3.73Å; W426-L452 HydrophobicContact CZ3-CG 4.14Å; W426-F454 HydrophobicContact CE3-CE1 4.22Å; W426-F454 HydrophobicContact CE3-CZ 4.3Å; W426-F509 HydrophobicContact CB-CD2 3.73Å; W426-F509 HydrophobicContact CB-CE2 3.61Å; W426-F509 HydrophobicContact CB-CZ 4.4Å; W426-F509 HydrophobicContact CD2-CB 4.49Å; W426-F509 HydrophobicContact CD2-CD2 4.07Å; W426-F509 HydrophobicContact CE3-CB 3.94Å; W426-F509 HydrophobicContact CE3-CD2 4.14Å; W426-F509 HydrophobicContact CE3-CG 4.13Å; W426-F509 AromaticContact CG-CD2 3.92Å; W426-F509 HydrophobicContact CG-CD2 3.92Å; W426-F509 HydrophobicContact CG-CE2 4.25Å; W426-F509 HydrophobicContact CZ3-CB 4.12Å; W426-K511 HydrophobicContact CH2-CB 4.25Å; W426-L516 HydrophobicContact CH2-CD1 3.28Å; W426-L516 HydrophobicContact CZ2-CD1 3.33Å; W426-L516 HydrophobicContact CZ3-CD1 4.16Å
427	R	98.1	Very high	97.4	Very high	52 Å²	52	38.9 Å²	38.9	20%	0.196	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	134.6	-176.6	-174.1	-177.8	70	-170.2	-7.5	111.1	A402 R403 K429 G431 T432 F434	A402-R427 WeakPolarHBondContact O-CA 3.35Å; R403-R427 HydrophobicContact CG-CB 4.07Å; R403-R427 HydrophobicContact CG-CG 4.06Å; R427-K429 PolarHBondContact NE-O 3.45Å; R427-K429 PolarHBondContact NH2-O 3.49Å; R427-K429 PolarHBondContact O-N 3.23Å; R427-G431 WeakPolarHBondContact O-CA 3.44Å; R427-G431 PolarHBondContact O-N 3.16Å; R427-T432 WeakPolarHBondContact CB-O 3.41Å; R427-T432 PolarHBondContact N-O 2.88Å; R427-T432 PolarHBondContact NE-OG1 3.08Å; R427-T432 PolarHBondContact NH2-OG1 2.7Å; R427-F434 HydrophobicContact CB-CD2 4.1Å; R427-F434 HydrophobicContact CB-CE2 4.22Å
428	S	97.7	Very high	97.4	Very high	3 Å²	3	43 Å²	43	2%	0.021	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-49.7	177.8	67	0	0	0	0	112.7	A402 K430 G445 Y446	A402-S428 PolarHBondContact N-OG 3.36Å; A402-S428 VanDerWaalsContact N-OG 3.09Å; A402-S428 PolarHBondContact O-N 2.93Å; S428-K430 PolarHBondContact O-N 2.94Å; S428-G445 WeakPolarHBondContact O-CA 3.33Å; S428-Y446 VanDerWaalsContact CA-CE1 3.4Å; S428-Y446 VanDerWaalsContact CA-CE2 3.47Å; S428-Y446 PolarHBondContact N-OH 3.31Å; S428-Y446 PolarHBondContact O-N 3.18Å; S428-Y446 VanDerWaalsContact O-N 3.16Å
429	K	94.1	Very high	97.3	Very high	96 Å²	96	44.8 Å²	44.8	42%	0.417	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-69.6	120.7	176.3	-68.1	-169.5	177.4	-178.9	0	111	T400 A401 R427 G431	T400-K429 WeakPolarHBondContact O-CE 3.14Å; A401-K429 HydrophobicContact CB-CD 4.42Å; A401-K429 HydrophobicContact CB-CG 4.39Å; R427-K429 PolarHBondContact NE-O 3.45Å; R427-K429 PolarHBondContact NH2-O 3.49Å; R427-K429 PolarHBondContact O-N 3.23Å; K429-G431 PolarHBondContact O-N 2.75Å
430	K	92.6	Very high	97.3	Very high	164 Å²	164	45 Å²	45	71%	0.713	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	63.9	10.4	175.6	-51.5	-177.1	176.2	-175	0	115.4	S428 T432 S443	S428-K430 PolarHBondContact O-N 2.94Å; K430-T432 VanDerWaalsContact C-N 3.27Å; K430-T432 HydrophobicContact CB-CG2 4.26Å; K430-T432 PolarHBondContact O-N 2.98Å; K430-S443 VanDerWaalsContact O-O 3.1Å
431	G	96.2	Very high	97.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	57.1	36.9	174.7	0	0	0	0	0	114.2	R427 K429 Y442 S443 S444	R427-G431 WeakPolarHBondContact O-CA 3.44Å; R427-G431 PolarHBondContact O-N 3.16Å; K429-G431 PolarHBondContact O-N 2.75Å; G431-Y442 WeakPolarHBondContact O-CB 3.45Å; G431-Y442 PolarHBondContact O-N 3.14Å; G431-S443 WeakPolarHBondContact CA-O 3.17Å; G431-S443 PolarHBondContact O-N 2.79Å; G431-S443 PolarHBondContact O-OG 2.84Å; G431-S444 VanDerWaalsContact CA-O 3.28Å; G431-S444 WeakPolarHBondContact CA-O 3.32Å
432	T	98.1	Very high	97.4	Very high	14 Å²	14	49.4 Å²	49.4	9%	0.086	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	136.2	-176.9	48.2	0	0	0	0	110.9	R427 K430 F434 K440	R427-T432 WeakPolarHBondContact CB-O 3.41Å; R427-T432 PolarHBondContact N-O 2.88Å; R427-T432 PolarHBondContact NE-OG1 3.08Å; R427-T432 PolarHBondContact NH2-OG1 2.7Å; K430-T432 VanDerWaalsContact C-N 3.27Å; K430-T432 HydrophobicContact CB-CG2 4.26Å; K430-T432 PolarHBondContact O-N 2.98Å; T432-F434 VanDerWaalsContact OG1-CE2 3.3Å; T432-F434 WeakPolarHBondContact OG1-CE2 3.36Å; T432-K440 CarbonylContact C-O 3.5Å; T432-K440 VanDerWaalsContact CA-O 3.24Å; T432-K440 WeakPolarHBondContact CA-O 3.29Å; T432-K440 WeakPolarHBondContact CB-O 3.34Å
433	R	98.2	Very high	97.4	Very high	68 Å²	68	49.8 Å²	49.8	26%	0.257	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	133	172.2	69	178.2	164.6	-173.5	-4.3	110.4	S425 G439 K440 Y442 L518 A519 Y520	S425-R433 CarbonylContact O-C 3.5Å; S425-R433 WeakPolarHBondContact O-CA 3.2Å; R433-G439 CarbonylContact O-C 3.39Å; R433-G439 WeakPolarHBondContact O-CA 3.25Å; R433-K440 HydrophobicContact CG-CB 4.07Å; R433-K440 PolarHBondContact N-O 3.49Å; R433-K440 PolarHBondContact O-N 3.04Å; R433-Y442 HydrophobicContact CB-CG 4.35Å; R433-Y442 HydrophobicContact CG-CG 4.5Å; R433-L518 PolarHBondContact NH1-O 3.18Å; R433-A519 WeakPolarHBondContact CD-O 3.32Å; R433-A519 PolarHBondContact NH1-O 3.1Å; R433-Y520 VanDerWaalsContact C-OH 3.3Å; R433-Y520 HydrophobicContact CB-CE1 4.46Å; R433-Y520 HydrophobicContact CB-CE2 4.22Å; R433-Y520 VanDerWaalsContact CB-OH 3.32Å; R433-Y520 WeakPolarHBondContact CB-OH 3.49Å; R433-Y520 HydrophobicContact CG-CE1 4.44Å
434	F	98.4	Very high	97.3	Very high	20 Å²	20	53.6 Å²	53.6	9%	0.088	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131.9	-179	-86.9	-93.1	0	0	0	113.2	G418 S425 R427 T432 V438 Y520	G418-F434 WeakPolarHBondContact CA-O 3.33Å; S425-F434 PolarHBondContact N-O 3.36Å; S425-F434 PolarHBondContact O-N 3.12Å; S425-F434 WeakPolarHBondContact OG-CB 3.24Å; S425-F434 PolarHBondContact OG-O 2.58Å; R427-F434 HydrophobicContact CB-CD2 4.1Å; R427-F434 HydrophobicContact CB-CE2 4.22Å; T432-F434 VanDerWaalsContact OG1-CE2 3.3Å; T432-F434 WeakPolarHBondContact OG1-CE2 3.36Å; F434-V438 WeakPolarHBondContact CA-O 3.48Å; F434-Y520 PolarHBondContact N-OH 3.17Å; F434-Y520 PolarHBondContact O-OH 3.34Å
435	H	98.4	Very high	97.1	Very high	33 Å²	33	54.6 Å²	54.6	15%	0.153	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	138.9	170.8	173.3	66.6	0	0	0	108.6	G418 K421 S423 Y424 S437 V438 Y520 F524	G418-H435 CarbonylContact O-C 3.6Å; G418-H435 WeakPolarHBondContact O-CA 3.26Å; K421-H435 PolarHBondContact O-CE1 3.18Å; S423-H435 PolarHBondContact O-ND1 3.3Å; Y424-H435 HydrophobicContact CD1-CB 4.07Å; Y424-H435 AromaticContact CD1-CG 3.79Å; Y424-H435 AromaticContact CD1-ND1 3.52Å; Y424-H435 HydrophobicContact CE1-CB 4.45Å; Y424-H435 AromaticContact CE1-CD2 3.99Å; Y424-H435 AromaticContact CE1-CE1 3.39Å; Y424-H435 WeakPolarHBondContact CE1-CE1 3.18Å; Y424-H435 AromaticContact CE1-CG 3.72Å; Y424-H435 AromaticContact CE1-ND1 3.35Å; Y424-H435 WeakPolarHBondContact CE1-ND1 3.43Å; Y424-H435 AromaticContact CE1-NE2 3.82Å; Y424-H435 AromaticContact CG-ND1 4Å; Y424-H435 AromaticContact CZ-CE1 3.36Å; Y424-H435 AromaticContact CZ-ND1 3.66Å; Y424-H435 PolarHBondContact OH-CE1 3.34Å; H435-S437 PolarHBondContact O-N 2.65Å; H435-V438 PolarHBondContact N-O 2.89Å; H435-V438 WeakPolarHBondContact O-CB 3.3Å; H435-V438 PolarHBondContact O-N 2.81Å; H435-Y520 HydrophobicContact CB-CE1 3.88Å; H435-F524 AromaticContact NE2-CE2 3.91Å
436	Q	97.1	Very high	97.1	Very high	87 Å²	87	55.1 Å²	55.1	41%	0.407	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	38.2	-175.1	-63.5	179.3	65.7	0	0	113.5	G418 Y419 D420 K421 V438	G418-Q436 PolarHBondContact O-N 3.04Å; Y419-Q436 CarbonylContact O-C 3.57Å; Y419-Q436 VanDerWaalsContact O-C 3.31Å; Y419-Q436 WeakPolarHBondContact O-CA 3.48Å; D420-Q436 WeakPolarHBondContact O-CA 3.17Å; D420-Q436 PolarHBondContact O-N 3.3Å; D420-Q436 VanDerWaalsContact O-N 3.07Å; K421-Q436 HydrophobicContact CB-CG 4.28Å; K421-Q436 HydrophobicContact CG-CG 3.65Å; Q436-V438 PolarHBondContact O-N 3.11Å
437	S	96.8	Very high	97	Very high	62 Å²	62	56.1 Å²	56.1	43%	0.434	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	6	-174.6	-62.6	0	0	0	0	115.3	G418 Y419 H435	G418-S437 PolarHBondContact O-N 2.81Å; Y419-S437 WeakPolarHBondContact CA-OG 3.45Å; Y419-S437 WeakPolarHBondContact CD2-OG 3.11Å; Y419-S437 PolarHBondContact O-N 3.14Å; Y419-S437 PolarHBondContact O-OG 3.33Å; H435-S437 PolarHBondContact O-N 2.65Å
438	V	97.8	Very high	97	Very high	85 Å²	85	59.6 Å²	59.6	52%	0.515	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	116.3	177.6	-178.7	0	0	0	0	109.6	F434 H435 Q436	F434-V438 WeakPolarHBondContact CA-O 3.48Å; H435-V438 PolarHBondContact N-O 2.89Å; H435-V438 WeakPolarHBondContact O-CB 3.3Å; H435-V438 PolarHBondContact O-N 2.81Å; Q436-V438 PolarHBondContact O-N 3.11Å
439	G	97.4	Very high	97.1	Very high	39 Å²	39	62 Å²	62	40%	0.402	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.3	175.7	0	0	0	0	0	111.8	R433	R433-G439 CarbonylContact O-C 3.39Å; R433-G439 WeakPolarHBondContact O-CA 3.25Å
440	K	97.9	Very high	97.3	Very high	128 Å²	128	58.6 Å²	58.6	56%	0.557	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.9	171.3	-64	-179.4	-178	177.4	0	109.6	T432 R433	T432-K440 CarbonylContact C-O 3.5Å; T432-K440 VanDerWaalsContact CA-O 3.24Å; T432-K440 WeakPolarHBondContact CA-O 3.29Å; T432-K440 WeakPolarHBondContact CB-O 3.34Å; R433-K440 HydrophobicContact CG-CB 4.07Å; R433-K440 PolarHBondContact N-O 3.49Å; R433-K440 PolarHBondContact O-N 3.04Å
441	H	97.8	Very high	97.6	Very high	139 Å²	139	50.9 Å²	50.9	64%	0.644	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	141.3	171.7	-174.1	62.9	0	0	0	109.6	S443	H441-S443 PolarHBondContact CE1-O 3.2Å
442	Y	97.5	Very high	97.7	Very high	34 Å²	34	50.9 Å²	50.9	13%	0.133	29%	0.294	C	S	.	.			trans	-141.9	-45.8	-174.1	170.2	-107	0	0	0	111.2	W426 G431 R433 F509 L516 G517 L518 A519	W426-Y442 AromaticContact CD1-CD1 3.96Å; W426-Y442 AromaticContact NE1-CD1 3.75Å; G431-Y442 WeakPolarHBondContact O-CB 3.45Å; G431-Y442 PolarHBondContact O-N 3.14Å; R433-Y442 HydrophobicContact CB-CG 4.35Å; R433-Y442 HydrophobicContact CG-CG 4.5Å; Y442-F509 HydrophobicContact CD1-CD2 4.42Å; Y442-F509 HydrophobicContact CE1-CB 4.07Å; Y442-F509 AromaticContact CE1-CD2 3.77Å; Y442-F509 HydrophobicContact CE1-CD2 3.77Å; Y442-F509 HydrophobicContact CE1-CG 4.41Å; Y442-L516 HydrophobicContact CE1-CB 3.97Å; Y442-L516 HydrophobicContact CE1-CD1 4.24Å; Y442-L516 WeakPolarHBondContact OH-CB 3.08Å; Y442-G517 PolarHBondContact OH-O 3.14Å; Y442-L518 WeakPolarHBondContact CE2-O 3.21Å; Y442-A519 HydrophobicContact CE1-CB 4.42Å; Y442-A519 HydrophobicContact CE2-CB 3.93Å
443	S	97	Very high	97.7	Very high	12 Å²	12	50.3 Å²	50.3	8%	0.084	29%	0.291	C	S	.	.	S	Bend	trans	-149.4	-179.2	-179	69.4	0	0	0	0	111.7	W426 K430 G431 H441	W426-S443 WeakPolarHBondContact CZ2-OG 3.16Å; W426-S443 PolarHBondContact NE1-OG 3.31Å; K430-S443 VanDerWaalsContact O-O 3.1Å; G431-S443 WeakPolarHBondContact CA-O 3.17Å; G431-S443 PolarHBondContact O-N 2.79Å; G431-S443 PolarHBondContact O-OG 2.84Å; H441-S443 PolarHBondContact CE1-O 3.2Å
444	S	95.6	Very high	97.8	Very high	81 Å²	81	47 Å²	47	57%	0.566	28%	0.279	S	S	*	.			trans	-64.8	160.1	158.9	59.6	0	0	0	0	111	G431	G431-S444 VanDerWaalsContact CA-O 3.28Å; G431-S444 WeakPolarHBondContact CA-O 3.32Å
445	G	95.6	Very high	97.8	Very high	30 Å²	30	46.1 Å²	46.1	31%	0.309	27%	0.274	S	S	.	.			trans	-66.7	163.8	175.2	0	0	0	0	0	113.3	S428 K511	S428-G445 WeakPolarHBondContact O-CA 3.33Å; G445-K511 PolarHBondContact O-NZ 2.98Å
446	Y	97.9	Very high	97.8	Very high	10 Å²	10	44.5 Å²	44.5	4%	0.039	27%	0.267	C	S	.	.			trans	-123.8	157.9	171.5	61.1	-101.4	0	0	0	110.1	I393 M396 A402 L404 W426 S428 D450 L452	I393-Y446 HydrophobicContact CD1-CD2 4.11Å; I393-Y446 HydrophobicContact CD1-CE2 3.87Å; I393-Y446 HydrophobicContact CG1-CD2 4.05Å; I393-Y446 HydrophobicContact CG1-CE2 4.33Å; M396-Y446 HydrophobicContact CE-CD2 4.45Å; M396-Y446 HydrophobicContact CE-CE2 4.3Å; A402-Y446 HydrophobicContact CB-CE2 4.39Å; A402-Y446 PolarHBondContact O-OH 3.49Å; L404-Y446 HydrophobicContact CD1-CE2 4.02Å; W426-Y446 AromaticContact CD2-CD1 3.87Å; W426-Y446 HydrophobicContact CD2-CD1 3.87Å; W426-Y446 AromaticContact CD2-CE1 3.55Å; W426-Y446 HydrophobicContact CD2-CE1 3.55Å; W426-Y446 AromaticContact CE2-CD1 3.64Å; W426-Y446 AromaticContact CE2-CE1 3.76Å; W426-Y446 HydrophobicContact CE3-CD1 4.07Å; W426-Y446 AromaticContact CE3-CE1 3.83Å; W426-Y446 HydrophobicContact CE3-CE1 3.83Å; W426-Y446 AromaticContact CG-CE1 3.9Å; W426-Y446 HydrophobicContact CG-CE1 3.9Å; W426-Y446 AromaticContact CH2-CD1 3.79Å; W426-Y446 HydrophobicContact CH2-CD1 3.79Å; W426-Y446 HydrophobicContact CH2-CE1 4.39Å; W426-Y446 AromaticContact CZ2-CD1 3.59Å; W426-Y446 HydrophobicContact CZ2-CD1 3.59Å; W426-Y446 HydrophobicContact CZ2-CE1 4.17Å; W426-Y446 HydrophobicContact CZ3-CD1 4.05Å; W426-Y446 HydrophobicContact CZ3-CE1 4.26Å; W426-Y446 PolarHBondContact O-OH 2.99Å; S428-Y446 VanDerWaalsContact CA-CE1 3.4Å; S428-Y446 VanDerWaalsContact CA-CE2 3.47Å; S428-Y446 PolarHBondContact N-OH 3.31Å; S428-Y446 PolarHBondContact O-N 3.18Å; S428-Y446 VanDerWaalsContact O-N 3.16Å; Y446-D450 VanDerWaalsContact CA-OD2 3.29Å; Y446-D450 WeakPolarHBondContact CA-OD2 3.38Å; Y446-D450 WeakPolarHBondContact CB-OD2 3.47Å; Y446-L452 HydrophobicContact CD1-CD1 3.81Å; Y446-L452 HydrophobicContact CD1-CD2 4.49Å; Y446-L452 HydrophobicContact CD2-CD1 3.43Å; Y446-L452 VanDerWaalsContact CD2-CD1 3.43Å; Y446-L452 HydrophobicContact CE1-CD1 3.88Å; Y446-L452 HydrophobicContact CE2-CD1 3.46Å; Y446-L452 VanDerWaalsContact CE2-CD1 3.46Å; Y446-L452 HydrophobicContact CG-CD1 3.58Å; Y446-L452 HydrophobicContact CG-CD2 4.13Å; Y446-L452 HydrophobicContact CG-CG 4.46Å
447	G	97.9	Very high	97.9	Very high	22 Å²	22	42.3 Å²	42.3	23%	0.227	26%	0.257	C	S	.	.			trans	-151.3	-168.3	-174	0	0	0	0	0	112.9	I393 G449 D450	I393-G447 VanDerWaalsContact CB-O 3.31Å; I393-G447 WeakPolarHBondContact CB-O 3.36Å; G447-G449 PolarHBondContact O-N 2.95Å; G447-D450 PolarHBondContact N-OD2 3.32Å; G447-D450 WeakPolarHBondContact O-CB 3.31Å; G447-D450 PolarHBondContact O-N 2.85Å; G447-D450 VanDerWaalsContact O-N 3.16Å
448	Q	98.3	Very high	97.9	Very high	124 Å²	124	39.8 Å²	39.8	58%	0.579	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	135.3	179.9	-175.1	170	-16.9	0	0	112.1	D394 M396 D450	D394-Q448 WeakPolarHBondContact O-CG 3.44Å; D394-Q448 PolarHBondContact O-NE2 2.67Å; M396-Q448 HydrophobicContact CB-CB 4.21Å; Q448-D450 VanDerWaalsContact C-N 3.31Å; Q448-D450 PolarHBondContact O-N 3.36Å
449	G	97.8	Very high	97.9	Very high	54 Å²	54	36.7 Å²	36.7	56%	0.557	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.7	-14	-178	0	0	0	0	0	115.1	I393 G447	I393-G449 PolarHBondContact O-N 3.14Å; G447-G449 PolarHBondContact O-N 2.95Å
450	D	98.6	Very high	97.7	Very high	25 Å²	25	39.9 Å²	39.9	13%	0.134	23%	0.228	C	C	.	.			trans	-71.8	140.8	173.5	-73.1	-43.4	0	0	0	110.8	I393 Y446 G447 Q448 L452 K511 N512	I393-D450 PolarHBondContact N-O 3.17Å; Y446-D450 VanDerWaalsContact CA-OD2 3.29Å; Y446-D450 WeakPolarHBondContact CA-OD2 3.38Å; Y446-D450 WeakPolarHBondContact CB-OD2 3.47Å; G447-D450 PolarHBondContact N-OD2 3.32Å; G447-D450 WeakPolarHBondContact O-CB 3.31Å; G447-D450 PolarHBondContact O-N 2.85Å; G447-D450 VanDerWaalsContact O-N 3.16Å; Q448-D450 VanDerWaalsContact C-N 3.31Å; Q448-D450 PolarHBondContact O-N 3.36Å; D450-L452 HydrophobicContact CB-CD2 4.04Å; D450-K511 WeakPolarHBondContact OD1-CE 3.4Å; D450-K511 IonicContact OD1-NZ 3.53Å; D450-K511 WeakPolarHBondContact OD2-CE 3.49Å; D450-K511 IonicContact OD2-NZ 2.8Å; D450-K511 PolarHBondContact OD2-NZ 3.27Å; D450-N512 PolarHBondContact OD1-ND2 3.47Å
451	T	98.8	Very high	97.4	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.3	168.4	-61.3	0	0	0	0	108.7	E390 S392 N512 K549	E390-T451 HydrophobicContact CB-CG2 4.19Å; E390-T451 HydrophobicContact CG-CG2 4.29Å; S392-T451 PolarHBondContact OG-OG1 2.97Å; T451-N512 PolarHBondContact N-OD1 3.38Å; T451-N512 WeakPolarHBondContact O-CA 3.15Å; T451-N512 PolarHBondContact O-N 3.2Å; T451-N512 PolarHBondContact O-OD1 3.22Å; T451-K549 HydrophobicContact CG2-CB 4.33Å; T451-K549 HydrophobicContact CG2-CD 4.29Å; T451-K549 WeakPolarHBondContact OG1-CD 3.35Å; T451-K549 PolarHBondContact OG1-NZ 3.2Å
452	L	98.9	Very high	97.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132	-170.1	-52.5	177.8	0	0	0	110.1	E390 V391 I393 L404 W426 Y446 D450 F454 Y510 K511	E390-L452 CarbonylContact C-O 3.54Å; E390-L452 WeakPolarHBondContact CA-O 3.37Å; V391-L452 PolarHBondContact N-O 3.03Å; V391-L452 PolarHBondContact O-N 3.34Å; I393-L452 HydrophobicContact CD1-CD1 4.13Å; I393-L452 HydrophobicContact CG1-CD1 4.35Å; L404-L452 HydrophobicContact CD1-CD1 3.75Å; W426-L452 HydrophobicContact CE3-CD1 4.33Å; W426-L452 HydrophobicContact CH2-CD2 3.83Å; W426-L452 HydrophobicContact CZ3-CB 4.12Å; W426-L452 HydrophobicContact CZ3-CD1 3.96Å; W426-L452 HydrophobicContact CZ3-CD2 3.73Å; W426-L452 HydrophobicContact CZ3-CG 4.14Å; Y446-L452 HydrophobicContact CD1-CD1 3.81Å; Y446-L452 HydrophobicContact CD1-CD2 4.49Å; Y446-L452 HydrophobicContact CD2-CD1 3.43Å; Y446-L452 VanDerWaalsContact CD2-CD1 3.43Å; Y446-L452 HydrophobicContact CE1-CD1 3.88Å; Y446-L452 HydrophobicContact CE2-CD1 3.46Å; Y446-L452 VanDerWaalsContact CE2-CD1 3.46Å; Y446-L452 HydrophobicContact CG-CD1 3.58Å; Y446-L452 HydrophobicContact CG-CD2 4.13Å; Y446-L452 HydrophobicContact CG-CG 4.46Å; D450-L452 HydrophobicContact CB-CD2 4.04Å; L452-F454 HydrophobicContact CB-CE2 3.64Å; L452-F454 HydrophobicContact CB-CZ 3.87Å; L452-F454 HydrophobicContact CD1-CZ 4.33Å; L452-F454 WeakPolarHBondContact O-CE2 3.43Å; L452-Y510 CarbonylContact C-O 3.48Å; L452-Y510 VanDerWaalsContact CA-O 3.3Å; L452-Y510 WeakPolarHBondContact CA-O 3.42Å; L452-K511 HydrophobicContact CD2-CB 4.31Å; L452-K511 HydrophobicContact CD2-CG 3.98Å
453	G	98.8	Very high	96.9	Very high	1 Å²	1	36 Å²	36	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	141.8	177.7	0	0	0	0	0	112.3	Y388 F509 Y510	Y388-G453 VanDerWaalsContact CE2-CA 3.48Å; Y388-G453 WeakPolarHBondContact OH-CA 3.18Å; G453-F509 CarbonylContact O-C 3.49Å; G453-F509 WeakPolarHBondContact O-CA 3.27Å; G453-Y510 PolarHBondContact N-O 3.11Å; G453-Y510 PolarHBondContact O-N 3.29Å
454	F	98.9	Very high	96.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	109.2	-177.1	-62.2	-90.9	0	0	0	109.6	Y388 F389 V391 L404 W426 L452 F509	Y388-F454 WeakPolarHBondContact CA-O 3.22Å; Y388-F454 WeakPolarHBondContact CD2-O 3.37Å; F389-F454 HydrophobicContact CD1-CB 3.81Å; F389-F454 HydrophobicContact CD2-CD2 4.25Å; F389-F454 HydrophobicContact CE1-CB 3.35Å; F389-F454 HydrophobicContact CE1-CD2 4.42Å; F389-F454 HydrophobicContact CE1-CG 4.02Å; F389-F454 HydrophobicContact CE2-CB 4.19Å; F389-F454 AromaticContact CE2-CD2 3.72Å; F389-F454 HydrophobicContact CE2-CD2 3.72Å; F389-F454 HydrophobicContact CE2-CE2 4.45Å; F389-F454 HydrophobicContact CE2-CG 4.09Å; F389-F454 HydrophobicContact CG-CB 4.4Å; F389-F454 HydrophobicContact CZ-CB 3.55Å; F389-F454 HydrophobicContact CZ-CD1 4.42Å; F389-F454 AromaticContact CZ-CD2 3.8Å; F389-F454 HydrophobicContact CZ-CD2 3.8Å; F389-F454 AromaticContact CZ-CG 3.66Å; F389-F454 HydrophobicContact CZ-CG 3.66Å; F389-F454 PolarHBondContact N-O 3.46Å; F389-F454 PolarHBondContact O-N 2.99Å; V391-F454 HydrophobicContact CB-CE2 3.95Å; V391-F454 HydrophobicContact CG2-CD2 4.11Å; V391-F454 HydrophobicContact CG2-CE2 3.74Å; L404-F454 HydrophobicContact CB-CE1 3.75Å; L404-F454 HydrophobicContact CB-CE2 4.2Å; L404-F454 HydrophobicContact CB-CZ 3.35Å; L404-F454 HydrophobicContact CD1-CZ 4.06Å; L404-F454 HydrophobicContact CG-CZ 4.36Å; W426-F454 HydrophobicContact CE3-CE1 4.22Å; W426-F454 HydrophobicContact CE3-CZ 4.3Å; L452-F454 HydrophobicContact CB-CE2 3.64Å; L452-F454 HydrophobicContact CB-CZ 3.87Å; L452-F454 HydrophobicContact CD1-CZ 4.33Å; L452-F454 WeakPolarHBondContact O-CE2 3.43Å; F454-F509 AromaticContact CD1-CD1 3.47Å; F454-F509 HydrophobicContact CD1-CD1 3.47Å; F454-F509 VanDerWaalsContact CD1-CD1 3.47Å; F454-F509 AromaticContact CD1-CE1 3.51Å; F454-F509 HydrophobicContact CD1-CE1 3.51Å; F454-F509 HydrophobicContact CD1-CG 4.37Å; F454-F509 HydrophobicContact CD1-CZ 4.38Å; F454-F509 AromaticContact CE1-CD1 3.99Å; F454-F509 HydrophobicContact CE1-CD1 3.99Å; F454-F509 HydrophobicContact CE1-CE1 4.11Å; F454-F509 HydrophobicContact CG-CD1 4.32Å
455	F	98.9	Very high	96.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	141.3	176.8	175.4	-92.1	0	0	0	110.6	W387 Y388 E457 M507 L508 Y510 I555	W387-F455 CarbonylContact O-C 3.48Å; W387-F455 VanDerWaalsContact O-CA 3.3Å; W387-F455 WeakPolarHBondContact O-CA 3.39Å; Y388-F455 HydrophobicContact CD2-CB 4.16Å; F455-E457 HydrophobicContact CE1-CB 3.66Å; F455-E457 HydrophobicContact CZ-CB 3.85Å; F455-M507 VanDerWaalsContact O-CA 3.26Å; F455-M507 WeakPolarHBondContact O-CA 3.43Å; F455-L508 HydrophobicContact CB-CB 4.13Å; F455-L508 HydrophobicContact CD1-CB 4.12Å; F455-L508 HydrophobicContact CD1-CD1 3.92Å; F455-L508 HydrophobicContact CD1-CG 3.86Å; F455-L508 HydrophobicContact CE1-CD1 4.31Å; F455-L508 HydrophobicContact CE1-CG 4.5Å; F455-L508 PolarHBondContact N-O 3.21Å; F455-L508 PolarHBondContact O-N 3.26Å; F455-L508 VanDerWaalsContact O-N 3.09Å; F455-Y510 HydrophobicContact CB-CE2 4.09Å; F455-I555 HydrophobicContact CD1-CD1 4.2Å; F455-I555 HydrophobicContact CD2-CD1 4.5Å; F455-I555 HydrophobicContact CD2-CG2 4.07Å; F455-I555 HydrophobicContact CE1-CD1 3.51Å; F455-I555 HydrophobicContact CE2-CD1 3.85Å; F455-I555 HydrophobicContact CE2-CG1 4.02Å; F455-I555 HydrophobicContact CE2-CG2 4.07Å; F455-I555 HydrophobicContact CZ-CD1 3.3Å; F455-I555 HydrophobicContact CZ-CG1 3.89Å
456	I	98.8	Very high	96.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	139.7	169.6	-167.3	176.5	0	0	0	109.9	V382 S386 W387 W406 L458 R506 M507 L523 Y528	V382-I456 HydrophobicContact CG2-CG2 3.96Å; S386-I456 CarbonylContact C-O 3Å; S386-I456 WeakPolarHBondContact CA-O 3.39Å; W387-I456 HydrophobicContact CB-CG2 3.92Å; W387-I456 PolarHBondContact N-O 2.88Å; W387-I456 PolarHBondContact O-N 2.83Å; W406-I456 HydrophobicContact CD2-CB 4.23Å; W406-I456 HydrophobicContact CD2-CD1 4.08Å; W406-I456 HydrophobicContact CD2-CG2 4.19Å; W406-I456 HydrophobicContact CE3-CD1 4.28Å; W406-I456 HydrophobicContact CE3-CG2 4.26Å; W406-I456 HydrophobicContact CG-CD1 4.27Å; W406-I456 HydrophobicContact CH2-CB 4.32Å; W406-I456 HydrophobicContact CH2-CG2 3.38Å; W406-I456 HydrophobicContact CZ2-CB 3.74Å; W406-I456 HydrophobicContact CZ2-CG2 3.26Å; W406-I456 HydrophobicContact CZ3-CG2 3.88Å; I456-L458 HydrophobicContact CD1-CD1 4.13Å; I456-L458 HydrophobicContact CD1-CD2 3.96Å; I456-L458 HydrophobicContact CD1-CG 4.02Å; I456-L458 HydrophobicContact CG1-CD2 4.17Å; I456-L458 HydrophobicContact CG1-CG 4.1Å; I456-R506 WeakPolarHBondContact CA-O 3.28Å; I456-M507 HydrophobicContact CB-CG 4.42Å; I456-M507 HydrophobicContact CD1-CE 3.75Å; I456-M507 HydrophobicContact CG1-CE 4.26Å; I456-M507 HydrophobicContact CG1-CG 4.04Å; I456-L523 HydrophobicContact CD1-CD1 4.09Å; I456-L523 HydrophobicContact CG1-CD1 3.96Å; I456-Y528 HydrophobicContact CD1-CD1 4.24Å; I456-Y528 HydrophobicContact CD1-CD2 4.15Å; I456-Y528 HydrophobicContact CD1-CG 3.82Å
457	E	98.4	Very high	95.8	Very high	40 Å²	40	41.3 Å²	41.3	19%	0.187	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125.5	171.4	179.1	176.6	-101.2	0	0	109.1	G385 S386 F455 S505 R506	G385-E457 WeakPolarHBondContact O-CA 3.41Å; S386-E457 WeakPolarHBondContact OG-CG 3.26Å; S386-E457 PolarHBondContact OG-OE1 2.83Å; F455-E457 HydrophobicContact CE1-CB 3.66Å; F455-E457 HydrophobicContact CZ-CB 3.85Å; E457-S505 VanDerWaalsContact O-CA 3.26Å; E457-S505 WeakPolarHBondContact O-CA 3.42Å; E457-R506 HydrophobicContact CB-CG 4.04Å; E457-R506 PolarHBondContact N-O 2.99Å; E457-R506 PolarHBondContact O-N 2.8Å; E457-R506 VanDerWaalsContact O-N 3.08Å; E457-R506 IonicContact OE1-NH2 3.14Å; E457-R506 PolarHBondContact OE1-NH2 3.47Å; E457-R506 VanDerWaalsContact OE1-NH2 3.14Å; E457-R506 IonicContact OE2-CZ 2.98Å; E457-R506 IonicContact OE2-NE 2.73Å; E457-R506 PolarHBondContact OE2-NE 3.5Å; E457-R506 IonicContact OE2-NH2 2.78Å; E457-R506 PolarHBondContact OE2-NH2 2.92Å
458	L	98.2	Very high	95.5	Very high	9 Å²	9	43.6 Å²	43.6	5%	0.047	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141.2	-178.1	-63.8	175.5	0	0	0	110	V382 G385 I456 L523 Y528	V382-L458 HydrophobicContact CG2-CD1 4.03Å; G385-L458 PolarHBondContact N-O 3.45Å; G385-L458 PolarHBondContact O-N 2.89Å; I456-L458 HydrophobicContact CD1-CD1 4.13Å; I456-L458 HydrophobicContact CD1-CD2 3.96Å; I456-L458 HydrophobicContact CD1-CG 4.02Å; I456-L458 HydrophobicContact CG1-CD2 4.17Å; I456-L458 HydrophobicContact CG1-CG 4.1Å; L458-L523 HydrophobicContact CD2-CD1 3.91Å; L458-Y528 HydrophobicContact CD1-CD2 4.03Å; L458-Y528 HydrophobicContact CD2-CD2 4.14Å; L458-Y528 HydrophobicContact CD2-CE2 4.2Å
459	P	96.8	Very high	95.2	Very high	20 Å²	20	38.5 Å²	38.5	13%	0.13	23%	0.229	C	C	.	.			trans	-77	138.8	-176.3	23.3	-23	0	0	0	112.6	G461 T462 V502 P504	P459-G461 VanDerWaalsContact C-N 3.28Å; P459-G461 PolarHBondContact O-N 2.73Å; P459-T462 HydrophobicContact CB-CG2 4.33Å; P459-T462 HydrophobicContact CG-CG2 3.7Å; P459-V502 HydrophobicContact CG-CB 3.91Å; P459-V502 HydrophobicContact CG-CG2 3.99Å; P459-P504 VanDerWaalsContact CD-O 3.25Å; P459-P504 WeakPolarHBondContact CD-O 3.35Å; P459-P504 WeakPolarHBondContact CG-O 3.27Å
460	D	94.1	Very high	94.8	Very high	106 Å²	106	39 Å²	39	57%	0.567	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-17.4	-179.9	-59.8	-44.2	0	0	0	114	K384 G385 T462 A465	K384-D460 WeakPolarHBondContact CB-OD1 3.33Å; G385-D460 PolarHBondContact N-OD1 2.78Å; D460-T462 PolarHBondContact O-N 3.46Å; D460-A465 VanDerWaalsContact O-CB 3.28Å; D460-A465 WeakPolarHBondContact O-CB 3.37Å
461	G	91.4	Very high	94.4	Very high	54 Å²	54	38.5 Å²	38.5	56%	0.557	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-4.8	-172.5	0	0	0	0	0	116.1	P459 K466	P459-G461 VanDerWaalsContact C-N 3.28Å; P459-G461 PolarHBondContact O-N 2.73Å; G461-K466 WeakPolarHBondContact O-CE 3.15Å; G461-K466 PolarHBondContact O-NZ 3.21Å
462	T	92.5	Very high	94.1	Very high	17 Å²	17	40 Å²	40	10%	0.104	22%	0.223	C	C	.	.	S	Bend	trans	-75.1	163.7	-172.7	64.7	0	0	0	0	112.9	P459 D460 T464 A465 K466 V502 E525	P459-T462 HydrophobicContact CB-CG2 4.33Å; P459-T462 HydrophobicContact CG-CG2 3.7Å; D460-T462 PolarHBondContact O-N 3.46Å; T462-T464 VanDerWaalsContact C-N 3.29Å; T462-A465 PolarHBondContact O-N 3.41Å; T462-A465 WeakPolarHBondContact OG1-CB 3.43Å; T462-A465 PolarHBondContact OG1-N 3Å; T462-K466 WeakPolarHBondContact O-CG 3.45Å; T462-K466 PolarHBondContact O-N 2.92Å; T462-V502 HydrophobicContact CG2-CB 4.1Å; T462-V502 HydrophobicContact CG2-CG1 3.7Å; T462-E525 WeakPolarHBondContact CB-OE1 3.37Å; T462-E525 HydrophobicContact CG2-CG 4.39Å
463	E	91.3	Very high	93.7	Very high	148 Å²	148	40.3 Å²	40.3	69%	0.692	22%	0.224	S	C	*	.	H	α-helix	trans	-62.6	-43.7	174.7	-67.2	179.6	175.4	0	0	109.6	A465 K466 A467 E525	E463-A465 VanDerWaalsContact C-N 3.34Å; E463-A465 PolarHBondContact O-N 3.48Å; E463-K466 PolarHBondContact O-N 3.16Å; E463-A467 WeakPolarHBondContact O-CB 3.38Å; E463-A467 PolarHBondContact O-N 3.39Å; E463-E525 PolarHBondContact N-OE1 3.04Å; E463-E525 VanDerWaalsContact N-OE1 3.16Å
464	T	91.5	Very high	93.2	Very high	38 Å²	38	45 Å²	45	23%	0.233	25%	0.249	C	C	.	.	H	α-helix	trans	-63.8	-36.4	178.3	-54.8	0	0	0	0	112.8	R383 T462 K466 E525	R383-T464 HydrophobicContact CB-CG2 4.16Å; R383-T464 HydrophobicContact CG-CG2 4.04Å; T462-T464 VanDerWaalsContact C-N 3.29Å; T464-K466 VanDerWaalsContact C-N 3.32Å; T464-E525 WeakPolarHBondContact CB-OE1 3.39Å; T464-E525 PolarHBondContact N-OE1 3.24Å; T464-E525 WeakPolarHBondContact OG1-CG 3.46Å; T464-E525 PolarHBondContact OG1-OE1 3Å
465	A	91.4	Very high	92.7	Very high	3 Å²	3	47.4 Å²	47.4	3%	0.025	26%	0.259	C	S	.	.	H	α-helix	trans	-69.6	-28.4	177.9	0	0	0	0	0	113.6	K384 D460 T462 E463	K384-A465 HydrophobicContact CB-CB 3.69Å; K384-A465 HydrophobicContact CD-CB 4Å; K384-A465 HydrophobicContact CG-CB 4.42Å; K384-A465 PolarHBondContact NZ-O 2.93Å; K384-A465 VanDerWaalsContact NZ-O 3.09Å; D460-A465 VanDerWaalsContact O-CB 3.28Å; D460-A465 WeakPolarHBondContact O-CB 3.37Å; T462-A465 PolarHBondContact O-N 3.41Å; T462-A465 WeakPolarHBondContact OG1-CB 3.43Å; T462-A465 PolarHBondContact OG1-N 3Å; E463-A465 VanDerWaalsContact C-N 3.34Å; E463-A465 PolarHBondContact O-N 3.48Å
466	K	90.9	Very high	92.2	Very high	156 Å²	156	50.2 Å²	50.2	68%	0.678	28%	0.282	S	S	*	.	H	α-helix	trans	-91.2	-24.8	-179.1	-69.8	169.2	179.1	159.7	0	112.9	G461 T462 E463 T464	G461-K466 WeakPolarHBondContact O-CE 3.15Å; G461-K466 PolarHBondContact O-NZ 3.21Å; T462-K466 WeakPolarHBondContact O-CG 3.45Å; T462-K466 PolarHBondContact O-N 2.92Å; E463-K466 PolarHBondContact O-N 3.16Å; T464-K466 VanDerWaalsContact C-N 3.32Å
467	A	90.4	Very high	91.7	Very high	49 Å²	49	51 Å²	51	41%	0.405	29%	0.286	S	S	.	.	S	Bend	trans	-71	141.1	179.7	0	0	0	0	0	111.9	R383 E463	R383-A467 VanDerWaalsContact CZ-O 3.28Å; R383-A467 PolarHBondContact NH1-O 3.09Å; R383-A467 PolarHBondContact NH2-O 2.98Å; E463-A467 WeakPolarHBondContact O-CB 3.38Å; E463-A467 PolarHBondContact O-N 3.39Å
468	L	90.4	Very high	91.2	Very high	69 Å²	69	51.4 Å²	51.4	36%	0.361	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-70.9	156.7	163.4	-74.5	176.4	0	0	0	110.6	R383 L573 A574 L577	R383-L468 PolarHBondContact NH1-O 3.11Å; L468-L573 HydrophobicContact CD1-CD2 4.32Å; L468-L573 HydrophobicContact CD1-CG 4.27Å; L468-L573 HydrophobicContact CD2-CD2 4.11Å; L468-A574 HydrophobicContact CB-CB 4.05Å; L468-A574 HydrophobicContact CD1-CB 4.45Å; L468-L577 HydrophobicContact CD1-CD1 3.26Å
469	P	91.5	Very high	90.6	Very high	17 Å²	17	56.6 Å²	56.6	11%	0.11	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-67.4	157.9	179.3	31	-36.3	0	0	0	111.5	E570 H571 A574	P469-E570 HydrophobicContact CG-CB 4.08Å; P469-H571 VanDerWaalsContact CB-CE1 3.45Å; P469-H571 WeakPolarHBondContact CB-CE1 3.44Å; P469-H571 WeakPolarHBondContact CB-NE2 3.4Å; P469-H571 HydrophobicContact CG-CB 4.24Å; P469-A574 HydrophobicContact CG-CB 4.15Å; P469-A574 WeakPolarHBondContact O-CB 3.27Å
470	D	90	Very high	90.1	Very high	66 Å²	66	59.2 Å²	59.2	35%	0.353	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-65.3	135	175.9	-162.8	-23.2	0	0	0	110	Y472 K475 H571	D470-Y472 HydrophobicContact CB-CD1 4.46Å; D470-Y472 HydrophobicContact CB-CE1 4.11Å; D470-Y472 HydrophobicContact CB-CE2 4.39Å; D470-Y472 WeakPolarHBondContact O-CD2 3.18Å; D470-Y472 VanDerWaalsContact O-CE2 3.25Å; D470-Y472 WeakPolarHBondContact O-CE2 3.17Å; D470-Y472 PolarHBondContact OD1-N 2.82Å; D470-K475 IonicContact OD2-NZ 2.67Å; D470-H571 PolarHBondContact O-CE1 3.29Å
471	T	91.5	Very high	89.7	Confident	13 Å²	13	59.4 Å²	59.4	8%	0.08	32%	0.317	C	S	.	.			trans	-85.2	-20.2	179	63.8	0	0	0	0	111.9	K473 A574 D575	T471-K473 PolarHBondContact O-N 2.94Å; T471-K473 PolarHBondContact OG1-N 3.12Å; T471-A574 VanDerWaalsContact CG2-C 3.46Å; T471-A574 HydrophobicContact CG2-CB 3.72Å; T471-A574 WeakPolarHBondContact CG2-O 3.44Å; T471-D575 WeakPolarHBondContact CB-OD1 3.35Å; T471-D575 WeakPolarHBondContact CG2-OD1 3.12Å
472	Y	92	Very high	89.2	Confident	35 Å²	35	59.2 Å²	59.2	14%	0.137	31%	0.307	C	S	.	.			trans	59	4.7	-173.8	-47.2	-81.1	0	0	0	115	I310 A341 D470 D474 K475 F486 E488	I310-Y472 HydrophobicContact CD1-CD1 3.95Å; I310-Y472 HydrophobicContact CD1-CE1 3.85Å; I310-Y472 HydrophobicContact CG1-CD1 4.43Å; I310-Y472 HydrophobicContact CG1-CE1 4.13Å; I310-Y472 HydrophobicContact CG1-CE2 4.39Å; I310-Y472 HydrophobicContact CG2-CD2 4.4Å; I310-Y472 HydrophobicContact CG2-CE2 4.3Å; A341-Y472 HydrophobicContact CB-CD2 4.14Å; A341-Y472 HydrophobicContact CB-CE2 4.35Å; D470-Y472 HydrophobicContact CB-CD1 4.46Å; D470-Y472 HydrophobicContact CB-CE1 4.11Å; D470-Y472 HydrophobicContact CB-CE2 4.39Å; D470-Y472 WeakPolarHBondContact O-CD2 3.18Å; D470-Y472 VanDerWaalsContact O-CE2 3.25Å; D470-Y472 WeakPolarHBondContact O-CE2 3.17Å; D470-Y472 PolarHBondContact OD1-N 2.82Å; Y472-D474 PolarHBondContact O-N 3.11Å; Y472-D474 VanDerWaalsContact O-N 3.13Å; Y472-K475 HydrophobicContact CD1-CG 4.36Å; Y472-K475 WeakPolarHBondContact O-CA 3.36Å; Y472-K475 WeakPolarHBondContact O-CB 2.9Å; Y472-K475 WeakPolarHBondContact O-CG 3.41Å; Y472-K475 PolarHBondContact O-N 2.87Å; Y472-F486 HydrophobicContact CG-CG 4.49Å; Y472-F486 WeakPolarHBondContact O-CD1 3.07Å; Y472-F486 WeakPolarHBondContact O-CE1 3.36Å; Y472-E488 WeakPolarHBondContact CE1-OE2 3.34Å
473	K	90	Very high	88.9	Confident	6 Å²	6	59.7 Å²	59.7	3%	0.026	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.2	-175.5	-73.6	178.1	177.1	-64.7	0	113.7	D315 G336 D337 Y339 T471 D575 Y578 H579	D315-K473 IonicContact OD2-NZ 2.87Å; D315-K473 PolarHBondContact OD2-NZ 3.37Å; G336-K473 CarbonylContact C-O 3.6Å; G336-K473 VanDerWaalsContact C-O 3.28Å; G336-K473 WeakPolarHBondContact CA-O 3.21Å; D337-K473 PolarHBondContact N-O 2.89Å; D337-K473 PolarHBondContact O-NZ 2.85Å; Y339-K473 PolarHBondContact O-NZ 3.25Å; T471-K473 PolarHBondContact O-N 2.94Å; T471-K473 PolarHBondContact OG1-N 3.12Å; K473-D575 VanDerWaalsContact CE-OD1 3.28Å; K473-D575 WeakPolarHBondContact CE-OD1 3.47Å; K473-Y578 HydrophobicContact CB-CD1 4.04Å; K473-Y578 HydrophobicContact CB-CD2 4.37Å; K473-Y578 HydrophobicContact CB-CE1 3.66Å; K473-Y578 HydrophobicContact CB-CE2 4Å; K473-Y578 HydrophobicContact CB-CG 4.38Å; K473-Y578 HydrophobicContact CD-CD1 3.28Å; K473-Y578 HydrophobicContact CD-CD2 4.46Å; K473-Y578 HydrophobicContact CD-CE1 3.71Å; K473-Y578 HydrophobicContact CD-CG 3.72Å; K473-Y578 HydrophobicContact CG-CD1 4.3Å; K473-Y578 HydrophobicContact CG-CE1 4.33Å; K473-H579 PolarHBondContact NZ-NE2 2.65Å
474	D	87.4	Confident	88.8	Confident	100 Å²	100	54 Å²	54	54%	0.535	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-4.9	174.4	72.1	-39.4	0	0	0	113.5	Y472	Y472-D474 PolarHBondContact O-N 3.11Å; Y472-D474 VanDerWaalsContact O-N 3.13Å
475	K	90	Very high	88.9	Confident	49 Å²	49	52.2 Å²	52.2	21%	0.213	27%	0.27	C	S	.	.	S	Bend	trans	-90.1	158.9	-177.1	-51.8	-62	-174.5	-91	0	111.4	D470 Y472 L477 F486 E488	D470-K475 IonicContact OD2-NZ 2.67Å; Y472-K475 HydrophobicContact CD1-CG 4.36Å; Y472-K475 WeakPolarHBondContact O-CA 3.36Å; Y472-K475 WeakPolarHBondContact O-CB 2.9Å; Y472-K475 WeakPolarHBondContact O-CG 3.41Å; Y472-K475 PolarHBondContact O-N 2.87Å; K475-L477 PolarHBondContact O-N 2.79Å; K475-F486 HydrophobicContact CB-CB 4.43Å; K475-F486 HydrophobicContact CB-CD1 4.26Å; K475-E488 HydrophobicContact CD-CG 4.38Å
476	A	88.1	Confident	89	Confident	59 Å²	59	52 Å²	52	49%	0.488	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	132.5	177.4	0	0	0	0	0	110.6	F486 E487	A476-F486 WeakPolarHBondContact O-CA 3.01Å; A476-E487 PolarHBondContact O-N 3.01Å
477	L	88.6	Confident	89.1	Confident	16 Å²	16	47.5 Å²	47.5	8%	0.084	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	132	166.6	-86.1	76.5	0	0	0	110.6	A312 I334 Y339 K475 L484 Y485 F486	A312-L477 HydrophobicContact CB-CD2 4.36Å; I334-L477 HydrophobicContact CB-CB 4.01Å; I334-L477 HydrophobicContact CD1-CB 4.49Å; I334-L477 HydrophobicContact CG2-CB 4.13Å; I334-L477 HydrophobicContact CG2-CD2 3.91Å; Y339-L477 HydrophobicContact CD1-CD2 4.11Å; Y339-L477 HydrophobicContact CD2-CD2 3.39Å; Y339-L477 HydrophobicContact CE2-CD2 3.89Å; Y339-L477 HydrophobicContact CG-CD2 3.5Å; K475-L477 PolarHBondContact O-N 2.79Å; L477-L484 HydrophobicContact CD2-CB 4.23Å; L477-L484 HydrophobicContact CD2-CD1 4.25Å; L477-Y485 CarbonylContact C-O 3.5Å; L477-Y485 WeakPolarHBondContact CA-O 3.42Å; L477-F486 HydrophobicContact CD1-CD1 3.38Å; L477-F486 HydrophobicContact CD1-CE1 3.25Å; L477-F486 HydrophobicContact CD1-CG 4.42Å; L477-F486 HydrophobicContact CD1-CZ 4.18Å; L477-F486 HydrophobicContact CG-CD1 4.04Å; L477-F486 HydrophobicContact CG-CE1 4.09Å
478	I	87.8	Confident	89.1	Confident	49 Å²	49	46.7 Å²	46.7	25%	0.251	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	143.5	170.7	65.1	158.8	0	0	0	110.3	Y309 L484 Y485 E487	Y309-I478 HydrophobicContact CD1-CD1 3.69Å; Y309-I478 HydrophobicContact CD1-CG1 4.43Å; Y309-I478 HydrophobicContact CE1-CD1 3.46Å; Y309-I478 VanDerWaalsContact CE1-CD1 3.46Å; Y309-I478 HydrophobicContact CE1-CG1 4.49Å; I478-L484 WeakPolarHBondContact O-CA 3.08Å; I478-Y485 PolarHBondContact N-O 3.12Å; I478-Y485 PolarHBondContact O-N 3.13Å; I478-E487 HydrophobicContact CG2-CB 4.26Å
479	K	85.6	Confident	89.1	Confident	119 Å²	119	48.2 Å²	48.2	52%	0.517	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	115.2	170.5	-173.9	172.8	-177.7	169.4	0	109.5	K481 L484	K479-K481 WeakPolarHBondContact CE-O 3.11Å; K479-L484 HydrophobicContact CB-CD2 3.87Å; K479-L484 HydrophobicContact CG-CD2 4.29Å
480	F	85.2	Confident	89	Confident	74 Å²	74	48.9 Å²	48.9	33%	0.325	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	113.2	170.3	-174.8	-92.7	0	0	0	109	E299 S482 Y483 Y485	E299-F480 HydrophobicContact CB-CE1 4.42Å; F480-S482 PolarHBondContact O-N 2.94Å; F480-S482 VanDerWaalsContact O-N 3.12Å; F480-Y483 PolarHBondContact N-O 2.95Å; F480-Y483 PolarHBondContact O-N 3.11Å; F480-Y483 VanDerWaalsContact O-N 3.08Å; F480-Y485 HydrophobicContact CB-CD2 3.94Å; F480-Y485 HydrophobicContact CB-CE2 3.78Å
481	K	85.8	Confident	89	Confident	110 Å²	110	52.6 Å²	52.6	48%	0.478	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	-113.3	-169.4	-59.1	-173.5	172.9	-135.8	0	111.4	E299 K479	E299-K481 HydrophobicContact CB-CD 3.99Å; E299-K481 VanDerWaalsContact CD-CE 3.44Å; E299-K481 IonicContact OE1-NZ 3.89Å; E299-K481 PolarHBondContact OE1-NZ 3.5Å; E299-K481 WeakPolarHBondContact OE2-CE 3.48Å; E299-K481 IonicContact OE2-NZ 2.67Å; E299-K481 PolarHBondContact OE2-NZ 2.98Å; K479-K481 WeakPolarHBondContact CE-O 3.11Å
482	S	82.4	Confident	88.9	Confident	51 Å²	51	54.5 Å²	54.5	36%	0.357	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	0.4	-176.5	-49.2	0	0	0	0	113.3	Q289 F480	Q289-S482 PolarHBondContact OE1-OG 2.71Å; F480-S482 PolarHBondContact O-N 2.94Å; F480-S482 VanDerWaalsContact O-N 3.12Å
483	Y	85.6	Confident	88.9	Confident	26 Å²	26	58.6 Å²	58.6	10%	0.102	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	154.9	-174.4	-60	-85.8	0	0	0	111.3	Q289 L291 P297 L311 F480	Q289-Y483 HydrophobicContact CB-CE1 4.32Å; Q289-Y483 WeakPolarHBondContact CB-OH 3.18Å; Q289-Y483 WeakPolarHBondContact O-CE1 3.23Å; Q289-Y483 PolarHBondContact O-OH 3.49Å; L291-Y483 HydrophobicContact CD2-CD1 4.23Å; L291-Y483 HydrophobicContact CD2-CE1 3.74Å; L291-Y483 HydrophobicContact CG-CE1 4.48Å; P297-Y483 HydrophobicContact CB-CD2 3.62Å; P297-Y483 HydrophobicContact CB-CE2 3.63Å; P297-Y483 HydrophobicContact CB-CG 4.14Å; P297-Y483 HydrophobicContact CG-CD1 3.63Å; P297-Y483 HydrophobicContact CG-CD2 3.5Å; P297-Y483 VanDerWaalsContact CG-CD2 3.5Å; P297-Y483 HydrophobicContact CG-CE1 3.79Å; P297-Y483 HydrophobicContact CG-CE2 3.68Å; P297-Y483 HydrophobicContact CG-CG 3.48Å; P297-Y483 VanDerWaalsContact CG-CG 3.48Å; L311-Y483 HydrophobicContact CD1-CD1 4.35Å; F480-Y483 PolarHBondContact N-O 2.95Å; F480-Y483 PolarHBondContact O-N 3.11Å; F480-Y483 VanDerWaalsContact O-N 3.08Å
484	L	89.8	Confident	89	Confident	29 Å²	29	65.9 Å²	65.9	15%	0.152	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	144.9	176.6	-67.1	170.2	0	0	0	109.7	A312 I334 Y339 L477 I478 K479	A312-L484 HydrophobicContact CB-CB 4.16Å; A312-L484 PolarHBondContact N-O 3.02Å; I334-L484 HydrophobicContact CD1-CD2 3.59Å; Y339-L484 HydrophobicContact CD1-CD1 3.98Å; Y339-L484 HydrophobicContact CE1-CD1 3.26Å; Y339-L484 HydrophobicContact CE2-CD1 4.24Å; Y339-L484 WeakPolarHBondContact OH-CD1 3.15Å; L477-L484 HydrophobicContact CD2-CB 4.23Å; L477-L484 HydrophobicContact CD2-CD1 4.25Å; I478-L484 WeakPolarHBondContact O-CA 3.08Å; K479-L484 HydrophobicContact CB-CD2 3.87Å; K479-L484 HydrophobicContact CG-CD2 4.29Å
485	Y	92.8	Very high	89.3	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	136.5	178.2	-59.5	-97.3	0	0	0	109.4	P297 H300 P301 I310 L311 L477 I478 F480	P297-Y485 WeakPolarHBondContact CG-OH 3.38Å; H300-Y485 HydrophobicContact CB-CE1 4.31Å; H300-Y485 WeakPolarHBondContact CB-OH 3.36Å; P301-Y485 HydrophobicContact CG-CD1 3.99Å; P301-Y485 HydrophobicContact CG-CD2 4.06Å; P301-Y485 HydrophobicContact CG-CE1 4.13Å; P301-Y485 HydrophobicContact CG-CE2 4.21Å; P301-Y485 HydrophobicContact CG-CG 3.96Å; I310-Y485 CarbonylContact O-C 3.44Å; I310-Y485 WeakPolarHBondContact O-CA 3.37Å; L311-Y485 HydrophobicContact CB-CD1 4.19Å; L311-Y485 HydrophobicContact CB-CE1 4.05Å; L311-Y485 HydrophobicContact CD1-CD1 4.23Å; L311-Y485 HydrophobicContact CD1-CE1 3.67Å; L311-Y485 HydrophobicContact CG-CE1 4.48Å; L477-Y485 CarbonylContact C-O 3.5Å; L477-Y485 WeakPolarHBondContact CA-O 3.42Å; I478-Y485 PolarHBondContact N-O 3.12Å; I478-Y485 PolarHBondContact O-N 3.13Å; F480-Y485 HydrophobicContact CB-CD2 3.94Å; F480-Y485 HydrophobicContact CB-CE2 3.78Å
486	F	93.7	Very high	89.5	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	131.8	161.1	-60.9	-78.6	0	0	0	108.8	Y309 I310 A312 Y472 K475 A476 L477	Y309-F486 WeakPolarHBondContact CA-O 3.32Å; I310-F486 HydrophobicContact CB-CB 4.23Å; I310-F486 HydrophobicContact CB-CD2 4.42Å; I310-F486 HydrophobicContact CD1-CB 4.31Å; I310-F486 PolarHBondContact N-O 3.41Å; I310-F486 PolarHBondContact O-N 3.36Å; A312-F486 HydrophobicContact CB-CD2 3.79Å; A312-F486 HydrophobicContact CB-CE2 3.56Å; A312-F486 HydrophobicContact CB-CZ 4.2Å; Y472-F486 HydrophobicContact CG-CG 4.49Å; Y472-F486 WeakPolarHBondContact O-CD1 3.07Å; Y472-F486 WeakPolarHBondContact O-CE1 3.36Å; K475-F486 HydrophobicContact CB-CB 4.43Å; K475-F486 HydrophobicContact CB-CD1 4.26Å; A476-F486 WeakPolarHBondContact O-CA 3.01Å; L477-F486 HydrophobicContact CD1-CD1 3.38Å; L477-F486 HydrophobicContact CD1-CE1 3.25Å; L477-F486 HydrophobicContact CD1-CG 4.42Å; L477-F486 HydrophobicContact CD1-CZ 4.18Å; L477-F486 HydrophobicContact CG-CD1 4.04Å; L477-F486 HydrophobicContact CG-CE1 4.09Å
487	E	92.5	Very high	89.8	Confident	60 Å²	60	68.5 Å²	68.5	28%	0.28	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	120.5	172.6	-176.3	176.9	-112.2	0	0	109.2	Y307 Y309 A476 I478	Y307-E487 HydrophobicContact CD1-CG 3.81Å; Y307-E487 HydrophobicContact CE1-CG 4.47Å; Y309-E487 HydrophobicContact CD1-CB 4.33Å; Y309-E487 HydrophobicContact CD1-CG 4.31Å; Y309-E487 HydrophobicContact CE1-CB 4.14Å; Y309-E487 HydrophobicContact CE1-CG 3.73Å; Y309-E487 WeakPolarHBondContact CE1-OE1 3.38Å; Y309-E487 PolarHBondContact OH-OE1 3.41Å; A476-E487 PolarHBondContact O-N 3.01Å; I478-E487 HydrophobicContact CG2-CB 4.26Å
488	E	90.1	Very high	90	Very high	33 Å²	33	71.4 Å²	71.4	15%	0.154	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.6	176.6	-165.3	-167.2	164.1	0	0	109.7	Y307 R308 I310 Y472 K475	Y307-E488 CarbonylContact C-O 3.55Å; Y307-E488 WeakPolarHBondContact CA-O 2.95Å; R308-E488 IonicContact CZ-OE1 2.84Å; R308-E488 IonicContact CZ-OE2 3.67Å; R308-E488 PolarHBondContact N-O 2.96Å; R308-E488 IonicContact NE-OE2 2.78Å; R308-E488 IonicContact NH1-OE2 3.74Å; R308-E488 PolarHBondContact NH1-OE2 2.88Å; R308-E488 IonicContact NH2-OE1 3.4Å; R308-E488 PolarHBondContact NH2-OE1 3.24Å; R308-E488 IonicContact NH2-OE2 2.67Å; R308-E488 PolarHBondContact NH2-OE2 2.8Å; R308-E488 PolarHBondContact O-N 3.02Å; I310-E488 HydrophobicContact CD1-CB 4.28Å; Y472-E488 WeakPolarHBondContact CE1-OE2 3.34Å; K475-E488 HydrophobicContact CD-CG 4.38Å
489	K	90.7	Very high	90.3	Very high	101 Å²	101	70.6 Å²	70.6	44%	0.439	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.2	175.6	-172.9	175	-179.8	179.2	0	110.7	Y307 Y491	Y307-K489 HydrophobicContact CD1-CB 4.22Å; Y307-K489 HydrophobicContact CD1-CG 4.5Å; Y307-K489 HydrophobicContact CE1-CB 3.96Å; Y307-K489 HydrophobicContact CE1-CD 4.36Å; Y307-K489 HydrophobicContact CE1-CG 4.06Å; K489-Y491 HydrophobicContact CB-CE2 4.21Å; K489-Y491 HydrophobicContact CD-CE1 4.24Å; K489-Y491 HydrophobicContact CG-CE2 4.45Å; K489-Y491 VanDerWaalsContact O-CD2 3.27Å; K489-Y491 WeakPolarHBondContact O-CD2 3.41Å; K489-Y491 WeakPolarHBondContact O-CE2 2.84Å
490	D	89.8	Confident	90.8	Very high	30 Å²	30	71.2 Å²	71.2	16%	0.16	34%	0.342	C	S	.	.			trans	-78.4	131.9	174.4	-69.7	-27.5	0	0	0	111.5	G306 R308 L410 V492	G306-D490 PolarHBondContact O-N 3.39Å; R308-D490 IonicContact CZ-OD1 3.76Å; R308-D490 IonicContact NE-OD1 3.92Å; R308-D490 PolarHBondContact NE-OD1 2.74Å; R308-D490 IonicContact NH2-OD1 3.84Å; R308-D490 PolarHBondContact NH2-OD1 2.91Å; L410-D490 HydrophobicContact CD2-CB 3.87Å; L410-D490 WeakPolarHBondContact CD2-OD1 3.27Å; D490-V492 HydrophobicContact CB-CG2 4.21Å
491	Y	89.8	Confident	91.3	Very high	145 Å²	145	71.7 Å²	71.7	57%	0.569	35%	0.352	S	S	*	.			trans	-112.6	63.3	174.7	-63	-82.3	0	0	0	110.2	K489 D493 K494 A495	K489-Y491 HydrophobicContact CB-CE2 4.21Å; K489-Y491 HydrophobicContact CD-CE1 4.24Å; K489-Y491 HydrophobicContact CG-CE2 4.45Å; K489-Y491 VanDerWaalsContact O-CD2 3.27Å; K489-Y491 WeakPolarHBondContact O-CD2 3.41Å; K489-Y491 WeakPolarHBondContact O-CE2 2.84Å; Y491-D493 PolarHBondContact O-N 2.99Å; Y491-K494 WeakPolarHBondContact O-CB 3.38Å; Y491-K494 PolarHBondContact O-N 3.42Å; Y491-A495 PolarHBondContact O-N 3.18Å
492	V	90.1	Very high	91.8	Very high	52 Å²	52	67.2 Å²	67.2	32%	0.315	33%	0.334	S	S	.	.	H	α-helix	trans	-52.8	-49.4	-173.7	-175.6	0	0	0	0	112.2	F422 D490 K494 A495 E496	F422-V492 HydrophobicContact CE2-CG1 3.82Å; F422-V492 HydrophobicContact CZ-CG1 4.37Å; D490-V492 HydrophobicContact CB-CG2 4.21Å; V492-K494 VanDerWaalsContact C-N 3.26Å; V492-K494 PolarHBondContact O-N 3.28Å; V492-A495 PolarHBondContact O-N 3.36Å; V492-A495 VanDerWaalsContact O-N 3.16Å; V492-E496 HydrophobicContact CG1-CG 4.46Å; V492-E496 PolarHBondContact O-N 2.78Å
493	D	91.6	Very high	92.3	Very high	122 Å²	122	69.3 Å²	69.3	65%	0.652	34%	0.344	S	S	*	.	H	α-helix	trans	-60.8	-34.8	-179.9	-67	-26	0	0	0	113.3	Y491 K497	Y491-D493 PolarHBondContact O-N 2.99Å; D493-K497 WeakPolarHBondContact O-CD 3.43Å; D493-K497 VanDerWaalsContact O-CG 3.31Å; D493-K497 WeakPolarHBondContact O-CG 3.18Å; D493-K497 PolarHBondContact O-N 2.71Å
494	K	92.9	Very high	92.7	Very high	158 Å²	158	72.7 Å²	72.7	69%	0.687	37%	0.369	S	S	*	.	H	α-helix	trans	-73	-45.4	177.5	-174.8	-177	175.3	-173.1	0	109.9	Y491 V492 E496 K497 S498	Y491-K494 WeakPolarHBondContact O-CB 3.38Å; Y491-K494 PolarHBondContact O-N 3.42Å; V492-K494 VanDerWaalsContact C-N 3.26Å; V492-K494 PolarHBondContact O-N 3.28Å; K494-E496 VanDerWaalsContact C-N 3.35Å; K494-E496 PolarHBondContact O-N 2.79Å; K494-K497 PolarHBondContact O-N 3.38Å; K494-S498 PolarHBondContact O-N 2.71Å; K494-S498 PolarHBondContact O-OG 3.27Å
495	A	92.4	Very high	93.1	Very high	20 Å²	20	71.6 Å²	71.6	17%	0.165	36%	0.364	C	S	.	.	H	α-helix	trans	-61.6	-42.3	179.1	0	0	0	0	0	111.8	L410 F422 Y491 V492 K497 S498 L499	L410-A495 HydrophobicContact CD1-CB 3.2Å; F422-A495 HydrophobicContact CE1-CB 4.16Å; F422-A495 HydrophobicContact CZ-CB 4.03Å; Y491-A495 PolarHBondContact O-N 3.18Å; V492-A495 PolarHBondContact O-N 3.36Å; V492-A495 VanDerWaalsContact O-N 3.16Å; A495-K497 VanDerWaalsContact C-N 3.28Å; A495-K497 PolarHBondContact O-N 3.01Å; A495-S498 WeakPolarHBondContact CA-OG 3.27Å; A495-S498 PolarHBondContact O-N 3.41Å; A495-S498 VanDerWaalsContact O-N 3.11Å; A495-S498 PolarHBondContact O-OG 3.01Å; A495-L499 WeakPolarHBondContact O-CG 3.31Å; A495-L499 PolarHBondContact O-N 3.21Å
496	E	93.6	Very high	93.3	Very high	60 Å²	60	76.1 Å²	76.1	28%	0.28	38%	0.381	S	S	.	.	H	α-helix	trans	-60.3	-37.2	176.6	-77.9	-157.7	178.6	0	0	112.9	K421 F422 V492 K494 S498	K421-E496 HydrophobicContact CD-CB 4.46Å; K421-E496 HydrophobicContact CD-CG 4.2Å; K421-E496 IonicContact NZ-OE2 3.89Å; K421-E496 PolarHBondContact NZ-OE2 3.09Å; F422-E496 HydrophobicContact CE2-CG 3.57Å; F422-E496 HydrophobicContact CZ-CB 4.33Å; F422-E496 HydrophobicContact CZ-CG 3.44Å; F422-E496 VanDerWaalsContact CZ-CG 3.44Å; V492-E496 HydrophobicContact CG1-CG 4.46Å; V492-E496 PolarHBondContact O-N 2.78Å; K494-E496 VanDerWaalsContact C-N 3.35Å; K494-E496 PolarHBondContact O-N 2.79Å; E496-S498 VanDerWaalsContact C-N 3.29Å
497	K	94.6	Very high	93.6	Very high	184 Å²	184	76.1 Å²	76.1	80%	0.8	38%	0.381	S	S	*	.	H	α-helix	trans	-74	-22.1	178.9	-70.7	171.7	-174.6	174.3	0	112.6	D493 K494 A495	D493-K497 WeakPolarHBondContact O-CD 3.43Å; D493-K497 VanDerWaalsContact O-CG 3.31Å; D493-K497 WeakPolarHBondContact O-CG 3.18Å; D493-K497 PolarHBondContact O-N 2.71Å; K494-K497 PolarHBondContact O-N 3.38Å; A495-K497 VanDerWaalsContact C-N 3.28Å; A495-K497 PolarHBondContact O-N 3.01Å
498	S	93.1	Very high	93.9	Very high	76 Å²	76	74.1 Å²	74.1	53%	0.531	37%	0.372	S	S	.	.	H	α-helix	trans	-93.6	-3.2	178.6	57.7	0	0	0	0	114.2	K494 A495 E496 K500	K494-S498 PolarHBondContact O-N 2.71Å; K494-S498 PolarHBondContact O-OG 3.27Å; A495-S498 WeakPolarHBondContact CA-OG 3.27Å; A495-S498 PolarHBondContact O-N 3.41Å; A495-S498 VanDerWaalsContact O-N 3.11Å; A495-S498 PolarHBondContact O-OG 3.01Å; E496-S498 VanDerWaalsContact C-N 3.29Å; S498-K500 PolarHBondContact O-N 3Å
499	L	94.8	Very high	94.3	Very high	33 Å²	33	72.5 Å²	72.5	17%	0.173	37%	0.365	C	S	.	.			trans	-61.4	124.3	179.4	-71.9	172.4	0	0	0	111	K421 F422 A495 F524	K421-L499 HydrophobicContact CB-CD1 3.64Å; K421-L499 HydrophobicContact CD-CD1 4.03Å; K421-L499 HydrophobicContact CG-CD1 4.46Å; F422-L499 HydrophobicContact CD1-CD1 4.39Å; F422-L499 HydrophobicContact CD1-CD2 4.24Å; F422-L499 HydrophobicContact CE1-CD1 3.98Å; F422-L499 HydrophobicContact CE1-CD2 3.96Å; F422-L499 HydrophobicContact CE1-CG 4.24Å; F422-L499 HydrophobicContact CZ-CD1 4.44Å; A495-L499 WeakPolarHBondContact O-CG 3.31Å; A495-L499 PolarHBondContact O-N 3.21Å; L499-F524 HydrophobicContact CB-CB 4.48Å; L499-F524 HydrophobicContact CB-CD1 3.77Å; L499-F524 HydrophobicContact CB-CD2 4.44Å; L499-F524 HydrophobicContact CB-CE1 4.04Å; L499-F524 HydrophobicContact CB-CG 3.99Å; L499-F524 HydrophobicContact CD1-CD2 3.96Å; L499-F524 HydrophobicContact CD1-CE2 4.09Å; L499-F524 HydrophobicContact CD1-CG 4.31Å; L499-F524 HydrophobicContact CD2-CB 3.83Å; L499-F524 HydrophobicContact CD2-CD2 4.32Å; L499-F524 HydrophobicContact CD2-CG 4.04Å; L499-F524 HydrophobicContact CG-CD2 4.47Å; L499-F524 HydrophobicContact CG-CG 4.33Å
500	K	96	Very high	94.6	Very high	131 Å²	131	67.7 Å²	67.7	57%	0.57	34%	0.344	S	S	*	.			trans	-125	135.2	175.8	-64	173.1	-171.4	170.5	0	108.7	S498 F524 E525	S498-K500 PolarHBondContact O-N 3Å; K500-F524 CarbonylContact O-C 3.58Å; K500-F524 WeakPolarHBondContact O-CA 3.24Å; K500-E525 PolarHBondContact O-N 3.05Å
501	T	96.5	Very high	95.1	Very high	85 Å²	85	68.3 Å²	68.3	52%	0.521	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-75.1	141.9	175.7	52.9	0	0	0	0	110.7	N522 L523 F524	T501-N522 VanDerWaalsContact CG2-O 3.27Å; T501-N522 WeakPolarHBondContact CG2-O 3.49Å; T501-L523 CarbonylContact C-O 3.48Å; T501-L523 VanDerWaalsContact CA-O 3.28Å; T501-L523 WeakPolarHBondContact CA-O 3.15Å; T501-F524 HydrophobicContact CG2-CD1 3.73Å; T501-F524 HydrophobicContact CG2-CE1 3.68Å
502	V	95.6	Very high	95.4	Very high	16 Å²	16	64.2 Å²	64.2	10%	0.097	33%	0.333	C	S	.	.			trans	-117	146.3	178.6	-69	0	0	0	0	111.8	P459 T462 S505 L523 E525	P459-V502 HydrophobicContact CG-CB 3.91Å; P459-V502 HydrophobicContact CG-CG2 3.99Å; T462-V502 HydrophobicContact CG2-CB 4.1Å; T462-V502 HydrophobicContact CG2-CG1 3.7Å; V502-S505 WeakPolarHBondContact O-CB 3.46Å; V502-S505 PolarHBondContact O-OG 2.91Å; V502-L523 WeakPolarHBondContact CG2-O 3.16Å; V502-L523 PolarHBondContact N-O 3.12Å; V502-E525 HydrophobicContact CG1-CB 3.6Å; V502-E525 HydrophobicContact CG1-CG 3.82Å
503	T	92.3	Very high	95.8	Very high	94 Å²	94	63.1 Å²	63.1	58%	0.577	33%	0.332	S	S	*	.	S	Bend	trans	-137.5	144.1	-179.5	55.9	0	0	0	0	111.4	N522	T503-N522 HydrophobicContact CG2-CB 4.49Å; T503-N522 WeakPolarHBondContact CG2-OD1 3.24Å
504	P	93.7	Very high	96	Very high	97 Å²	97	61.9 Å²	61.9	63%	0.63	33%	0.329	S	S	*	.	S	Bend	cis	-69.5	137.3	-10.7	31.1	-34.1	0	0	0	110.9	P459	P459-P504 VanDerWaalsContact CD-O 3.25Å; P459-P504 WeakPolarHBondContact CD-O 3.35Å; P459-P504 WeakPolarHBondContact CG-O 3.27Å
505	S	97.9	Very high	96.3	Very high	7 Å²	7	57.1 Å²	57.1	5%	0.049	31%	0.311	C	S	.	.			trans	-150.9	140.3	169.3	68.5	0	0	0	0	110	E457 V502 E521 N522 L523	E457-S505 VanDerWaalsContact O-CA 3.26Å; E457-S505 WeakPolarHBondContact O-CA 3.42Å; V502-S505 WeakPolarHBondContact O-CB 3.46Å; V502-S505 PolarHBondContact O-OG 2.91Å; S505-E521 WeakPolarHBondContact O-CA 3.38Å; S505-N522 PolarHBondContact O-N 3.46Å; S505-N522 VanDerWaalsContact O-N 3.15Å; S505-L523 WeakPolarHBondContact OG-CB 3.48Å; S505-L523 PolarHBondContact OG-N 2.78Å
506	R	98.3	Very high	96.6	Very high	95 Å²	95	58.6 Å²	58.6	36%	0.358	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	159.7	-175.5	58.9	-179.8	174.1	-153.9	-6.1	113.6	I456 E457 L518 Y520	I456-R506 WeakPolarHBondContact CA-O 3.28Å; E457-R506 HydrophobicContact CB-CG 4.04Å; E457-R506 PolarHBondContact N-O 2.99Å; E457-R506 PolarHBondContact O-N 2.8Å; E457-R506 VanDerWaalsContact O-N 3.08Å; E457-R506 IonicContact OE1-NH2 3.14Å; E457-R506 PolarHBondContact OE1-NH2 3.47Å; E457-R506 VanDerWaalsContact OE1-NH2 3.14Å; E457-R506 IonicContact OE2-CZ 2.98Å; E457-R506 IonicContact OE2-NE 2.73Å; E457-R506 PolarHBondContact OE2-NE 3.5Å; E457-R506 IonicContact OE2-NH2 2.78Å; E457-R506 PolarHBondContact OE2-NH2 2.92Å; R506-L518 HydrophobicContact CB-CD1 3.73Å; R506-Y520 CarbonylContact C-O 3.56Å; R506-Y520 WeakPolarHBondContact CA-O 3.23Å; R506-Y520 WeakPolarHBondContact CB-O 3.47Å
507	M	98.6	Very high	96.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137.1	168.8	-63.3	175.3	-177.7	0	0	110	W406 Y424 F455 I456 F509 A519 Y520 L523 Y528	W406-M507 HydrophobicContact CB-CE 3.62Å; W406-M507 HydrophobicContact CB-SD 4.32Å; W406-M507 HydrophobicContact CG-CE 3.9Å; W406-M507 HydrophobicContact CG-SD 4.29Å; Y424-M507 HydrophobicContact CD2-CE 3.9Å; Y424-M507 HydrophobicContact CG-CE 4Å; Y424-M507 HydrophobicContact CG-SD 4.16Å; F455-M507 VanDerWaalsContact O-CA 3.26Å; F455-M507 WeakPolarHBondContact O-CA 3.43Å; I456-M507 HydrophobicContact CB-CG 4.42Å; I456-M507 HydrophobicContact CD1-CE 3.75Å; I456-M507 HydrophobicContact CG1-CE 4.26Å; I456-M507 HydrophobicContact CG1-CG 4.04Å; M507-F509 HydrophobicContact CB-CE1 4.37Å; M507-A519 HydrophobicContact CB-CB 4.42Å; M507-A519 WeakPolarHBondContact O-CB 3.31Å; M507-A519 PolarHBondContact O-N 2.99Å; M507-Y520 HydrophobicContact CB-CD2 4.22Å; M507-Y520 PolarHBondContact N-O 3.25Å; M507-Y520 PolarHBondContact O-N 3.26Å; M507-Y520 HydrophobicContact SD-CD2 3.8Å; M507-Y520 HydrophobicContact SD-CG 4.39Å; M507-L523 HydrophobicContact CE-CD1 3.79Å; M507-L523 HydrophobicContact CE-CD2 3.87Å; M507-L523 HydrophobicContact CE-CG 4.45Å; M507-L523 HydrophobicContact CG-CD1 4.02Å; M507-L523 HydrophobicContact CG-CD2 4.18Å; M507-L523 HydrophobicContact SD-CD2 4.23Å; M507-Y528 HydrophobicContact CE-CD1 4.17Å; M507-Y528 HydrophobicContact CE-CE1 3.98Å
508	L	98.6	Very high	96.9	Very high	17 Å²	17	51.7 Å²	51.7	9%	0.089	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	143.8	172.3	-50.8	175.1	0	0	0	108.7	F455 Y510 G517 L518 I555	F455-L508 HydrophobicContact CB-CB 4.13Å; F455-L508 HydrophobicContact CD1-CB 4.12Å; F455-L508 HydrophobicContact CD1-CD1 3.92Å; F455-L508 HydrophobicContact CD1-CG 3.86Å; F455-L508 HydrophobicContact CE1-CD1 4.31Å; F455-L508 HydrophobicContact CE1-CG 4.5Å; F455-L508 PolarHBondContact N-O 3.21Å; F455-L508 PolarHBondContact O-N 3.26Å; F455-L508 VanDerWaalsContact O-N 3.09Å; L508-Y510 HydrophobicContact CB-CE2 3.98Å; L508-G517 WeakPolarHBondContact CD2-O 3.41Å; L508-L518 HydrophobicContact CD2-CB 4.45Å; L508-L518 HydrophobicContact CD2-CD1 4.05Å; L508-I555 HydrophobicContact CD1-CD1 3.9Å
509	F	98.7	Very high	97.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.7	175.7	-59.1	-34.1	0	0	0	111	W426 Y442 G453 F454 M507 L516 A519 Y520	W426-F509 HydrophobicContact CB-CD2 3.73Å; W426-F509 HydrophobicContact CB-CE2 3.61Å; W426-F509 HydrophobicContact CB-CZ 4.4Å; W426-F509 HydrophobicContact CD2-CB 4.49Å; W426-F509 HydrophobicContact CD2-CD2 4.07Å; W426-F509 HydrophobicContact CE3-CB 3.94Å; W426-F509 HydrophobicContact CE3-CD2 4.14Å; W426-F509 HydrophobicContact CE3-CG 4.13Å; W426-F509 AromaticContact CG-CD2 3.92Å; W426-F509 HydrophobicContact CG-CD2 3.92Å; W426-F509 HydrophobicContact CG-CE2 4.25Å; W426-F509 HydrophobicContact CZ3-CB 4.12Å; Y442-F509 HydrophobicContact CD1-CD2 4.42Å; Y442-F509 HydrophobicContact CE1-CB 4.07Å; Y442-F509 AromaticContact CE1-CD2 3.77Å; Y442-F509 HydrophobicContact CE1-CD2 3.77Å; Y442-F509 HydrophobicContact CE1-CG 4.41Å; G453-F509 CarbonylContact O-C 3.49Å; G453-F509 WeakPolarHBondContact O-CA 3.27Å; F454-F509 AromaticContact CD1-CD1 3.47Å; F454-F509 HydrophobicContact CD1-CD1 3.47Å; F454-F509 VanDerWaalsContact CD1-CD1 3.47Å; F454-F509 AromaticContact CD1-CE1 3.51Å; F454-F509 HydrophobicContact CD1-CE1 3.51Å; F454-F509 HydrophobicContact CD1-CG 4.37Å; F454-F509 HydrophobicContact CD1-CZ 4.38Å; F454-F509 AromaticContact CE1-CD1 3.99Å; F454-F509 HydrophobicContact CE1-CD1 3.99Å; F454-F509 HydrophobicContact CE1-CE1 4.11Å; F454-F509 HydrophobicContact CG-CD1 4.32Å; M507-F509 HydrophobicContact CB-CE1 4.37Å; F509-L516 VanDerWaalsContact O-CB 3.29Å; F509-L516 WeakPolarHBondContact O-CB 3.46Å; F509-L516 PolarHBondContact O-N 2.76Å; F509-A519 HydrophobicContact CD1-CB 4.37Å; F509-A519 HydrophobicContact CD2-CB 3.36Å; F509-A519 HydrophobicContact CE1-CB 4.32Å; F509-A519 HydrophobicContact CE2-CB 3.32Å; F509-A519 HydrophobicContact CG-CB 3.91Å; F509-A519 HydrophobicContact CZ-CB 3.83Å; F509-Y520 HydrophobicContact CE2-CD2 4.41Å; F509-Y520 AromaticContact CE2-CE2 3.99Å; F509-Y520 HydrophobicContact CE2-CE2 3.99Å; F509-Y520 HydrophobicContact CZ-CD2 4.2Å; F509-Y520 AromaticContact CZ-CE2 3.98Å; F509-Y520 HydrophobicContact CZ-CE2 3.98Å
510	Y	98.7	Very high	97.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	144.8	-178.1	-65	-107.3	0	0	0	109.8	Y388 L452 G453 F455 L508 V514 N515 P552 D554 I555	Y388-Y510 HydrophobicContact CE2-CD2 4.07Å; L452-Y510 CarbonylContact C-O 3.48Å; L452-Y510 VanDerWaalsContact CA-O 3.3Å; L452-Y510 WeakPolarHBondContact CA-O 3.42Å; G453-Y510 PolarHBondContact N-O 3.11Å; G453-Y510 PolarHBondContact O-N 3.29Å; F455-Y510 HydrophobicContact CB-CE2 4.09Å; L508-Y510 HydrophobicContact CB-CE2 3.98Å; Y510-V514 CarbonylContact C-O 3.49Å; Y510-V514 VanDerWaalsContact CA-O 3.22Å; Y510-V514 WeakPolarHBondContact CA-O 3.34Å; Y510-N515 HydrophobicContact CD1-CB 3.88Å; Y510-N515 HydrophobicContact CE1-CB 3.47Å; Y510-N515 VanDerWaalsContact CE1-CB 3.47Å; Y510-P552 HydrophobicContact CE1-CB 4.06Å; Y510-P552 HydrophobicContact CE1-CG 4.38Å; Y510-P552 HydrophobicContact CE2-CG 4.4Å; Y510-D554 VanDerWaalsContact CE1-OD1 3.28Å; Y510-D554 WeakPolarHBondContact CE1-OD1 3.42Å; Y510-D554 PolarHBondContact OH-OD1 3.45Å; Y510-D554 PolarHBondContact OH-OD2 2.93Å; Y510-I555 WeakPolarHBondContact OH-CG2 3.23Å
511	K	98.4	Very high	97.4	Very high	43 Å²	43	47.1 Å²	47.1	19%	0.187	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	114.8	170.5	-174	176.5	-175.3	175	0	109	W426 G445 D450 L452 G513 V514 L516	W426-K511 HydrophobicContact CH2-CB 4.25Å; G445-K511 PolarHBondContact O-NZ 2.98Å; D450-K511 WeakPolarHBondContact OD1-CE 3.4Å; D450-K511 IonicContact OD1-NZ 3.53Å; D450-K511 WeakPolarHBondContact OD2-CE 3.49Å; D450-K511 IonicContact OD2-NZ 2.8Å; D450-K511 PolarHBondContact OD2-NZ 3.27Å; L452-K511 HydrophobicContact CD2-CB 4.31Å; L452-K511 HydrophobicContact CD2-CG 3.98Å; K511-G513 PolarHBondContact O-N 3.25Å; K511-V514 PolarHBondContact N-O 3.01Å; K511-V514 WeakPolarHBondContact O-CB 3.49Å; K511-V514 PolarHBondContact O-N 2.91Å; K511-L516 HydrophobicContact CB-CD1 4.07Å; K511-L516 HydrophobicContact CB-CD2 4.34Å; K511-L516 HydrophobicContact CB-CG 4.37Å
512	N	97.9	Very high	97.4	Very high	59 Å²	59	46.6 Å²	46.6	32%	0.316	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	40.6	-178.3	-53.3	-37.9	0	0	0	111.8	D450 T451 V514	D450-N512 PolarHBondContact OD1-ND2 3.47Å; T451-N512 PolarHBondContact N-OD1 3.38Å; T451-N512 WeakPolarHBondContact O-CA 3.15Å; T451-N512 PolarHBondContact O-N 3.2Å; T451-N512 PolarHBondContact O-OD1 3.22Å; N512-V514 VanDerWaalsContact C-N 3.32Å; N512-V514 PolarHBondContact O-N 3.2Å
513	G	96.6	Very high	97.5	Very high	28 Å²	28	45.9 Å²	45.9	29%	0.289	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-7	-178	0	0	0	0	0	116	K511	K511-G513 PolarHBondContact O-N 3.25Å
514	V	97.7	Very high	97.8	Very high	96 Å²	96	42.9 Å²	42.9	58%	0.582	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	121.3	177.4	-177.1	0	0	0	0	109.9	Y510 K511 N512 L516	Y510-V514 CarbonylContact C-O 3.49Å; Y510-V514 VanDerWaalsContact CA-O 3.22Å; Y510-V514 WeakPolarHBondContact CA-O 3.34Å; K511-V514 PolarHBondContact N-O 3.01Å; K511-V514 WeakPolarHBondContact O-CB 3.49Å; K511-V514 PolarHBondContact O-N 2.91Å; N512-V514 VanDerWaalsContact C-N 3.32Å; N512-V514 PolarHBondContact O-N 3.2Å; V514-L516 PolarHBondContact O-N 3.48Å
515	N	98.1	Very high	97.9	Very high	58 Å²	58	40.1 Å²	40.1	31%	0.31	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	124.9	174.7	-170.3	-12.3	0	0	0	110.6	Y510 G517 D554	Y510-N515 HydrophobicContact CD1-CB 3.88Å; Y510-N515 HydrophobicContact CE1-CB 3.47Å; Y510-N515 VanDerWaalsContact CE1-CB 3.47Å; N515-G517 WeakPolarHBondContact OD1-CA 3.5Å; N515-G517 PolarHBondContact OD1-N 2.93Å; N515-D554 PolarHBondContact ND2-OD2 3.1Å
516	L	97.9	Very high	97.8	Very high	52 Å²	52	40.4 Å²	40.4	27%	0.272	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-1.5	178.1	-59.1	178.3	0	0	0	113.4	W426 Y442 F509 K511 V514	W426-L516 HydrophobicContact CH2-CD1 3.28Å; W426-L516 HydrophobicContact CZ2-CD1 3.33Å; W426-L516 HydrophobicContact CZ3-CD1 4.16Å; Y442-L516 HydrophobicContact CE1-CB 3.97Å; Y442-L516 HydrophobicContact CE1-CD1 4.24Å; Y442-L516 WeakPolarHBondContact OH-CB 3.08Å; F509-L516 VanDerWaalsContact O-CB 3.29Å; F509-L516 WeakPolarHBondContact O-CB 3.46Å; F509-L516 PolarHBondContact O-N 2.76Å; K511-L516 HydrophobicContact CB-CD1 4.07Å; K511-L516 HydrophobicContact CB-CD2 4.34Å; K511-L516 HydrophobicContact CB-CG 4.37Å; V514-L516 PolarHBondContact O-N 3.48Å
517	G	97.3	Very high	97.7	Very high	28 Å²	28	38.3 Å²	38.3	29%	0.289	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	96.8	-160.3	178.4	0	0	0	0	0	114	Y442 L508 N515 A519	Y442-G517 PolarHBondContact OH-O 3.14Å; L508-G517 WeakPolarHBondContact CD2-O 3.41Å; N515-G517 WeakPolarHBondContact OD1-CA 3.5Å; N515-G517 PolarHBondContact OD1-N 2.93Å; G517-A519 PolarHBondContact O-N 3.31Å
518	L	98.2	Very high	97.7	Very high	71 Å²	71	38.3 Å²	38.3	37%	0.372	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	107.4	-173.1	-173.9	66.9	0	0	0	111.9	R433 Y442 R506 L508 Y520 E521	R433-L518 PolarHBondContact NH1-O 3.18Å; Y442-L518 WeakPolarHBondContact CE2-O 3.21Å; R506-L518 HydrophobicContact CB-CD1 3.73Å; L508-L518 HydrophobicContact CD2-CB 4.45Å; L508-L518 HydrophobicContact CD2-CD1 4.05Å; L518-Y520 WeakPolarHBondContact CD1-O 3.45Å; L518-E521 HydrophobicContact CD1-CB 4.42Å; L518-E521 HydrophobicContact CD2-CB 4.14Å; L518-E521 HydrophobicContact CD2-CG 4.26Å
519	A	98.3	Very high	97.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-43.9	178.2	0	0	0	0	0	112.3	R433 Y442 M507 F509 G517	R433-A519 WeakPolarHBondContact CD-O 3.32Å; R433-A519 PolarHBondContact NH1-O 3.1Å; Y442-A519 HydrophobicContact CE1-CB 4.42Å; Y442-A519 HydrophobicContact CE2-CB 3.93Å; M507-A519 HydrophobicContact CB-CB 4.42Å; M507-A519 WeakPolarHBondContact O-CB 3.31Å; M507-A519 PolarHBondContact O-N 2.99Å; F509-A519 HydrophobicContact CD1-CB 4.37Å; F509-A519 HydrophobicContact CD2-CB 3.36Å; F509-A519 HydrophobicContact CE1-CB 4.32Å; F509-A519 HydrophobicContact CE2-CB 3.32Å; F509-A519 HydrophobicContact CG-CB 3.91Å; F509-A519 HydrophobicContact CZ-CB 3.83Å; G517-A519 PolarHBondContact O-N 3.31Å
520	Y	98.5	Very high	97.7	Very high	25 Å²	25	38.9 Å²	38.9	10%	0.098	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	152.4	176	-62	-81.7	0	0	0	110.2	Y424 S425 R433 F434 H435 R506 M507 F509 L518	Y424-Y520 AromaticContact CD1-CD1 3.56Å; Y424-Y520 HydrophobicContact CD1-CD1 3.56Å; Y424-Y520 HydrophobicContact CD1-CD2 4.15Å; Y424-Y520 AromaticContact CD1-CE1 3.8Å; Y424-Y520 HydrophobicContact CD1-CE1 3.8Å; Y424-Y520 HydrophobicContact CD1-CE2 4.37Å; Y424-Y520 AromaticContact CD1-CG 3.73Å; Y424-Y520 HydrophobicContact CD1-CG 3.73Å; Y424-Y520 HydrophobicContact CE1-CD1 4.2Å; Y424-Y520 HydrophobicContact CE1-CG 4.5Å; Y424-Y520 HydrophobicContact CG-CD2 4.48Å; Y424-Y520 HydrophobicContact CG-CG 4.46Å; S425-Y520 PolarHBondContact N-OH 3.14Å; S425-Y520 PolarHBondContact O-OH 3.44Å; R433-Y520 VanDerWaalsContact C-OH 3.3Å; R433-Y520 HydrophobicContact CB-CE1 4.46Å; R433-Y520 HydrophobicContact CB-CE2 4.22Å; R433-Y520 VanDerWaalsContact CB-OH 3.32Å; R433-Y520 WeakPolarHBondContact CB-OH 3.49Å; R433-Y520 HydrophobicContact CG-CE1 4.44Å; F434-Y520 PolarHBondContact N-OH 3.17Å; F434-Y520 PolarHBondContact O-OH 3.34Å; H435-Y520 HydrophobicContact CB-CE1 3.88Å; R506-Y520 CarbonylContact C-O 3.56Å; R506-Y520 WeakPolarHBondContact CA-O 3.23Å; R506-Y520 WeakPolarHBondContact CB-O 3.47Å; M507-Y520 HydrophobicContact CB-CD2 4.22Å; M507-Y520 PolarHBondContact N-O 3.25Å; M507-Y520 PolarHBondContact O-N 3.26Å; M507-Y520 HydrophobicContact SD-CD2 3.8Å; M507-Y520 HydrophobicContact SD-CG 4.39Å; F509-Y520 HydrophobicContact CE2-CD2 4.41Å; F509-Y520 AromaticContact CE2-CE2 3.99Å; F509-Y520 HydrophobicContact CE2-CE2 3.99Å; F509-Y520 HydrophobicContact CZ-CD2 4.2Å; F509-Y520 AromaticContact CZ-CE2 3.98Å; F509-Y520 HydrophobicContact CZ-CE2 3.98Å; L518-Y520 WeakPolarHBondContact CD1-O 3.45Å
521	E	97.7	Very high	97.7	Very high	119 Å²	119	38.9 Å²	38.9	56%	0.556	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-140.5	162.7	174.3	57.5	179.1	167.6	0	0	108.9	S505 L518 L523	S505-E521 WeakPolarHBondContact O-CA 3.38Å; L518-E521 HydrophobicContact CD1-CB 4.42Å; L518-E521 HydrophobicContact CD2-CB 4.14Å; L518-E521 HydrophobicContact CD2-CG 4.26Å; E521-L523 PolarHBondContact O-N 3.27Å
522	N	95.8	Very high	97.7	Very high	74 Å²	74	37 Å²	37	40%	0.396	21%	0.208	S	C	.	.	S	Bend	trans	56.8	48.7	179.4	-49.9	-54.1	0	0	0	111.8	T501 T503 S505	T501-N522 VanDerWaalsContact CG2-O 3.27Å; T501-N522 WeakPolarHBondContact CG2-O 3.49Å; T503-N522 HydrophobicContact CG2-CB 4.49Å; T503-N522 WeakPolarHBondContact CG2-OD1 3.24Å; S505-N522 PolarHBondContact O-N 3.46Å; S505-N522 VanDerWaalsContact O-N 3.15Å
523	L	98.1	Very high	97.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-60.7	151.7	179.3	-52.4	179.1	0	0	0	110.8	Y424 I456 L458 T501 V502 S505 M507 E521	Y424-L523 HydrophobicContact CD1-CD2 4.41Å; Y424-L523 HydrophobicContact CE1-CD2 4.11Å; I456-L523 HydrophobicContact CD1-CD1 4.09Å; I456-L523 HydrophobicContact CG1-CD1 3.96Å; L458-L523 HydrophobicContact CD2-CD1 3.91Å; T501-L523 CarbonylContact C-O 3.48Å; T501-L523 VanDerWaalsContact CA-O 3.28Å; T501-L523 WeakPolarHBondContact CA-O 3.15Å; V502-L523 WeakPolarHBondContact CG2-O 3.16Å; V502-L523 PolarHBondContact N-O 3.12Å; S505-L523 WeakPolarHBondContact OG-CB 3.48Å; S505-L523 PolarHBondContact OG-N 2.78Å; M507-L523 HydrophobicContact CE-CD1 3.79Å; M507-L523 HydrophobicContact CE-CD2 3.87Å; M507-L523 HydrophobicContact CE-CG 4.45Å; M507-L523 HydrophobicContact CG-CD1 4.02Å; M507-L523 HydrophobicContact CG-CD2 4.18Å; M507-L523 HydrophobicContact SD-CD2 4.23Å; E521-L523 PolarHBondContact O-N 3.27Å
524	F	98	Very high	97.8	Very high	32 Å²	32	32.9 Å²	32.9	14%	0.14	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-66.8	142	169.5	-65.5	-54.7	0	0	0	111.2	Q408 K421 Y424 H435 L499 K500 T501 Y528	Q408-F524 PolarHBondContact NE2-O 2.76Å; K421-F524 HydrophobicContact CB-CE2 4.22Å; K421-F524 WeakPolarHBondContact O-CD2 3.41Å; Y424-F524 WeakPolarHBondContact OH-CD2 3.49Å; Y424-F524 PolarHBondContact OH-N 3.16Å; H435-F524 AromaticContact NE2-CE2 3.91Å; L499-F524 HydrophobicContact CB-CB 4.48Å; L499-F524 HydrophobicContact CB-CD1 3.77Å; L499-F524 HydrophobicContact CB-CD2 4.44Å; L499-F524 HydrophobicContact CB-CE1 4.04Å; L499-F524 HydrophobicContact CB-CG 3.99Å; L499-F524 HydrophobicContact CD1-CD2 3.96Å; L499-F524 HydrophobicContact CD1-CE2 4.09Å; L499-F524 HydrophobicContact CD1-CG 4.31Å; L499-F524 HydrophobicContact CD2-CB 3.83Å; L499-F524 HydrophobicContact CD2-CD2 4.32Å; L499-F524 HydrophobicContact CD2-CG 4.04Å; L499-F524 HydrophobicContact CG-CD2 4.47Å; L499-F524 HydrophobicContact CG-CG 4.33Å; K500-F524 CarbonylContact O-C 3.58Å; K500-F524 WeakPolarHBondContact O-CA 3.24Å; T501-F524 HydrophobicContact CG2-CD1 3.73Å; T501-F524 HydrophobicContact CG2-CE1 3.68Å; F524-Y528 PolarHBondContact N-OH 3.01Å; F524-Y528 VanDerWaalsContact O-CE2 3.23Å; F524-Y528 WeakPolarHBondContact O-CE2 3.37Å; F524-Y528 PolarHBondContact O-OH 2.79Å
525	E	96.7	Very high	97.8	Very high	38 Å²	38	31.4 Å²	31.4	18%	0.178	16%	0.163	C	C	.	.	S	Bend	trans	-57.8	138.7	171.5	-161.3	178.5	158.4	0	0	110	Q408 T462 E463 T464 K500 V502	Q408-E525 PolarHBondContact NE2-O 3.07Å; Q408-E525 VanDerWaalsContact NE2-O 3.13Å; T462-E525 WeakPolarHBondContact CB-OE1 3.37Å; T462-E525 HydrophobicContact CG2-CG 4.39Å; E463-E525 PolarHBondContact N-OE1 3.04Å; E463-E525 VanDerWaalsContact N-OE1 3.16Å; T464-E525 WeakPolarHBondContact CB-OE1 3.39Å; T464-E525 PolarHBondContact N-OE1 3.24Å; T464-E525 WeakPolarHBondContact OG1-CG 3.46Å; T464-E525 PolarHBondContact OG1-OE1 3Å; K500-E525 PolarHBondContact O-N 3.05Å; V502-E525 HydrophobicContact CG1-CB 3.6Å; V502-E525 HydrophobicContact CG1-CG 3.82Å
526	G	95.3	Very high	97.6	Very high	13 Å²	13	33.8 Å²	33.8	13%	0.134	17%	0.168	C	C	.	.	S	Bend	trans	156.3	179.5	175.5	0	0	0	0	0	113.5	Y528	G526-Y528 WeakPolarHBondContact O-CD2 3.38Å
527	L	96.3	Very high	97.4	Very high	52 Å²	52	32.8 Å²	32.8	27%	0.272	17%	0.17	S	C	.	.			trans	-84.3	128	171.7	176.3	67.5	0	0	0	109.4	R383 Q408 P409 F529	R383-L527 HydrophobicContact CG-CB 4.05Å; R383-L527 HydrophobicContact CG-CD1 3.35Å; R383-L527 HydrophobicContact CG-CG 4.28Å; Q408-L527 VanDerWaalsContact CA-O 3.29Å; Q408-L527 WeakPolarHBondContact CA-O 3.45Å; P409-L527 WeakPolarHBondContact CD-O 3.46Å; P409-L527 HydrophobicContact CG-CD2 4.49Å; L527-F529 HydrophobicContact CB-CE2 4.41Å; L527-F529 HydrophobicContact CD1-CE2 4.49Å; L527-F529 HydrophobicContact CD1-CZ 4.49Å; L527-F529 HydrophobicContact CD2-CE1 4.48Å; L527-F529 HydrophobicContact CD2-CE2 3.48Å; L527-F529 VanDerWaalsContact CD2-CE2 3.48Å; L527-F529 HydrophobicContact CD2-CZ 3.35Å; L527-F529 HydrophobicContact CG-CD2 4.32Å; L527-F529 HydrophobicContact CG-CE2 3.47Å; L527-F529 VanDerWaalsContact CG-CE2 3.47Å; L527-F529 HydrophobicContact CG-CZ 3.75Å
528	Y	98.5	Very high	97.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-116.2	133.2	-178.1	-79.3	-88.6	0	0	0	112.3	G381 V382 W406 Q408 Y424 I456 L458 M507 F524 G526	G381-Y528 CarbonylContact C-O 3.53Å; G381-Y528 WeakPolarHBondContact CA-O 3.38Å; V382-Y528 PolarHBondContact N-O 2.91Å; V382-Y528 PolarHBondContact O-N 3.04Å; W406-Y528 HydrophobicContact CB-CD1 3.99Å; Q408-Y528 HydrophobicContact CG-CD1 3.95Å; Q408-Y528 HydrophobicContact CG-CD2 4.36Å; Q408-Y528 HydrophobicContact CG-CE1 3.67Å; Q408-Y528 HydrophobicContact CG-CE2 4.1Å; Q408-Y528 HydrophobicContact CG-CG 4.3Å; Q408-Y528 VanDerWaalsContact NE2-CZ 3.33Å; Q408-Y528 PolarHBondContact NE2-OH 2.8Å; Q408-Y528 VanDerWaalsContact NE2-OH 3.16Å; Y424-Y528 AromaticContact CD2-CE1 3.84Å; Y424-Y528 HydrophobicContact CD2-CE1 3.84Å; Y424-Y528 AromaticContact CE2-CE1 3.75Å; Y424-Y528 HydrophobicContact CE2-CE1 3.75Å; Y424-Y528 WeakPolarHBondContact CE2-OH 3.32Å; I456-Y528 HydrophobicContact CD1-CD1 4.24Å; I456-Y528 HydrophobicContact CD1-CD2 4.15Å; I456-Y528 HydrophobicContact CD1-CG 3.82Å; L458-Y528 HydrophobicContact CD1-CD2 4.03Å; L458-Y528 HydrophobicContact CD2-CD2 4.14Å; L458-Y528 HydrophobicContact CD2-CE2 4.2Å; M507-Y528 HydrophobicContact CE-CD1 4.17Å; M507-Y528 HydrophobicContact CE-CE1 3.98Å; F524-Y528 PolarHBondContact N-OH 3.01Å; F524-Y528 VanDerWaalsContact O-CE2 3.23Å; F524-Y528 WeakPolarHBondContact O-CE2 3.37Å; F524-Y528 PolarHBondContact O-OH 2.79Å; G526-Y528 WeakPolarHBondContact O-CD2 3.38Å
529	F	98.6	Very high	97.3	Very high	24 Å²	24	28.7 Å²	28.7	11%	0.105	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	140.3	177.5	-61.3	-100.4	0	0	0	110	R377 A378 H380 W406 S407 P409 L527 A531	R377-F529 HydrophobicContact CB-CB 4.06Å; R377-F529 HydrophobicContact CG-CB 4.16Å; A378-F529 WeakPolarHBondContact O-CD1 3.4Å; H380-F529 VanDerWaalsContact O-CD1 3.23Å; H380-F529 WeakPolarHBondContact O-CD1 3.2Å; W406-F529 WeakPolarHBondContact CA-O 3.44Å; W406-F529 VanDerWaalsContact CE3-C 3.46Å; S407-F529 PolarHBondContact N-O 2.86Å; S407-F529 PolarHBondContact O-N 2.9Å; P409-F529 HydrophobicContact CG-CE2 3.79Å; L527-F529 HydrophobicContact CB-CE2 4.41Å; L527-F529 HydrophobicContact CD1-CE2 4.49Å; L527-F529 HydrophobicContact CD1-CZ 4.49Å; L527-F529 HydrophobicContact CD2-CE1 4.48Å; L527-F529 HydrophobicContact CD2-CE2 3.48Å; L527-F529 VanDerWaalsContact CD2-CE2 3.48Å; L527-F529 HydrophobicContact CD2-CZ 3.35Å; L527-F529 HydrophobicContact CG-CD2 4.32Å; L527-F529 HydrophobicContact CG-CE2 3.47Å; L527-F529 VanDerWaalsContact CG-CE2 3.47Å; L527-F529 HydrophobicContact CG-CZ 3.75Å; F529-A531 PolarHBondContact O-N 3.47Å
530	P	98.8	Very high	97.3	Very high	4 Å²	4	28.7 Å²	28.7	3%	0.026	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.4	129.7	159.4	-26.3	35.4	0	0	0	109.8	R377 A378 F389 W406 F544 M560	R377-P530 CarbonylContact C-O 3.59Å; R377-P530 WeakPolarHBondContact CA-O 3.41Å; A378-P530 HydrophobicContact CB-CB 3.97Å; A378-P530 HydrophobicContact CB-CG 4.07Å; A378-P530 PolarHBondContact N-O 3.41Å; F389-P530 HydrophobicContact CD1-CB 3.89Å; F389-P530 HydrophobicContact CD1-CG 3.81Å; F389-P530 HydrophobicContact CD2-CB 4.17Å; F389-P530 HydrophobicContact CE1-CB 3.57Å; F389-P530 HydrophobicContact CE1-CG 3.86Å; F389-P530 HydrophobicContact CE2-CB 3.87Å; F389-P530 HydrophobicContact CG-CB 4.19Å; F389-P530 HydrophobicContact CG-CG 4.27Å; F389-P530 HydrophobicContact CZ-CB 3.58Å; F389-P530 HydrophobicContact CZ-CG 4.37Å; W406-P530 HydrophobicContact CE3-CG 4.35Å; W406-P530 HydrophobicContact CH2-CG 4.07Å; W406-P530 HydrophobicContact CZ3-CG 3.78Å; P530-F544 HydrophobicContact CB-CE1 3.94Å; P530-F544 HydrophobicContact CG-CD1 4.46Å; P530-F544 HydrophobicContact CG-CE1 4.04Å; P530-M560 HydrophobicContact CG-CE 3.8Å; P530-M560 HydrophobicContact CG-CG 3.92Å; P530-M560 HydrophobicContact CG-SD 4.07Å
531	A	98.8	Very high	97.3	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.008	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	140.9	-172.8	0	0	0	0	0	111.9	M375 V376 R377 G405 L417 F529	M375-A531 HydrophobicContact SD-CB 4.41Å; V376-A531 WeakPolarHBondContact O-CA 3.4Å; R377-A531 HydrophobicContact CG-CB 4.04Å; G405-A531 PolarHBondContact N-O 2.92Å; G405-A531 PolarHBondContact O-N 3.39Å; L417-A531 HydrophobicContact CD1-CB 3.58Å; L417-A531 HydrophobicContact CD2-CB 4.03Å; L417-A531 WeakPolarHBondContact CD2-O 3.26Å; L417-A531 HydrophobicContact CG-CB 4.48Å; F529-A531 PolarHBondContact O-N 3.47Å
532	I	98.8	Very high	97.4	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.015	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.9	-174.8	-63.1	175.2	0	0	0	107.8	L349 V367 M375 V376 V391 L404 L534 V540 V542	L349-I532 HydrophobicContact CD2-CD1 4.1Å; V367-I532 HydrophobicContact CG1-CB 4.43Å; V367-I532 HydrophobicContact CG1-CD1 4.06Å; V367-I532 HydrophobicContact CG1-CG2 3.82Å; M375-I532 CarbonylContact C-O 3.56Å; M375-I532 VanDerWaalsContact CA-O 3.23Å; M375-I532 WeakPolarHBondContact CA-O 3.22Å; M375-I532 WeakPolarHBondContact CG-O 3.38Å; V376-I532 HydrophobicContact CG1-CB 3.99Å; V376-I532 PolarHBondContact N-O 3.19Å; V376-I532 PolarHBondContact O-N 3.42Å; V391-I532 HydrophobicContact CG2-CD1 4.46Å; L404-I532 HydrophobicContact CD2-CB 4.12Å; L404-I532 HydrophobicContact CD2-CG1 4.03Å; L404-I532 HydrophobicContact CD2-CG2 3.68Å; I532-L534 HydrophobicContact CG2-CD1 4.26Å; I532-L534 HydrophobicContact CG2-CD2 3.81Å; I532-L534 HydrophobicContact CG2-CG 3.86Å; I532-V540 HydrophobicContact CD1-CG2 4.02Å; I532-V540 HydrophobicContact CG2-CG2 3.59Å; I532-V542 HydrophobicContact CD1-CB 4.2Å
533	S	98.3	Very high	97.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128.5	171.6	-178.1	0	0	0	0	112.4	S374 A402 R403 P416 L417	S374-S533 CarbonylContact O-C 3.42Å; S374-S533 WeakPolarHBondContact O-CA 3.49Å; S374-S533 WeakPolarHBondContact O-CB 3Å; S374-S533 PolarHBondContact O-OG 3.07Å; A402-S533 CarbonylContact C-O 3.44Å; A402-S533 WeakPolarHBondContact CA-O 3.44Å; R403-S533 PolarHBondContact N-O 2.95Å; R403-S533 PolarHBondContact O-N 2.79Å; P416-S533 WeakPolarHBondContact CA-OG 3.3Å; L417-S533 PolarHBondContact N-OG 3.38Å
534	L	98.3	Very high	97.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	138.3	-171	-55.9	176.8	0	0	0	110.6	L358 V367 Y373 S374 A402 I532 C538 V540	L358-L534 HydrophobicContact CD2-CB 4.47Å; V367-L534 HydrophobicContact CB-CD1 4.43Å; V367-L534 HydrophobicContact CG1-CD1 4.02Å; V367-L534 HydrophobicContact CG2-CD1 4.02Å; V367-L534 VanDerWaalsContact O-CD1 3.27Å; V367-L534 WeakPolarHBondContact O-CD1 3.26Å; Y373-L534 WeakPolarHBondContact CA-O 3.44Å; S374-L534 PolarHBondContact N-O 2.93Å; S374-L534 PolarHBondContact O-N 3.17Å; A402-L534 HydrophobicContact CB-CD2 3.91Å; I532-L534 HydrophobicContact CG2-CD1 4.26Å; I532-L534 HydrophobicContact CG2-CD2 3.81Å; I532-L534 HydrophobicContact CG2-CG 3.86Å; L534-C538 WeakPolarHBondContact CD1-O 3.11Å; L534-C538 HydrophobicContact CD2-CB 4.26Å; L534-V540 HydrophobicContact CD1-CG2 4.31Å; L534-V540 HydrophobicContact CD2-CG1 3.98Å; L534-V540 HydrophobicContact CD2-CG2 4.01Å
535	Y	96.8	Very high	97.5	Very high	66 Å²	66	22.3 Å²	22.3	26%	0.259	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.7	171.8	179.9	-103.9	0	0	0	109.5	Y373 D399 A401	Y373-Y535 AromaticContact CD2-CD2 3.68Å; Y373-Y535 HydrophobicContact CD2-CD2 3.68Å; Y373-Y535 HydrophobicContact CD2-CG 4.11Å; Y373-Y535 AromaticContact CE2-CD2 3.92Å; Y373-Y535 HydrophobicContact CE2-CD2 3.92Å; Y373-Y535 AromaticContact CE2-CG 3.95Å; Y373-Y535 HydrophobicContact CE2-CG 3.95Å; Y373-Y535 HydrophobicContact CG-CD2 4.18Å; D399-Y535 WeakPolarHBondContact O-CD1 3.47Å; D399-Y535 VanDerWaalsContact O-CE1 3.27Å; D399-Y535 WeakPolarHBondContact O-CE1 3.38Å; A401-Y535 PolarHBondContact N-O 3.23Å; A401-Y535 WeakPolarHBondContact O-CB 3.35Å; A401-Y535 PolarHBondContact O-N 3.29Å
536	R	94.8	Very high	97.4	Very high	108 Å²	108	24.6 Å²	24.6	41%	0.408	14%	0.14	S	C	.	.	S	Bend	trans	56.8	-163.8	-174	-63.1	-178.6	180	-173	-1.7	112.6	G369 E370 K371 T400 C538	G369-R536 CarbonylContact C-O 3.55Å; G369-R536 WeakPolarHBondContact CA-O 3.3Å; E370-R536 PolarHBondContact N-O 2.97Å; E370-R536 VanDerWaalsContact O-CA 3.24Å; E370-R536 WeakPolarHBondContact O-CA 3.38Å; K371-R536 WeakPolarHBondContact O-CA 3.41Å; K371-R536 VanDerWaalsContact O-CG 3.26Å; K371-R536 WeakPolarHBondContact O-CG 3.49Å; K371-R536 PolarHBondContact O-N 3.41Å; T400-R536 HydrophobicContact CG2-CB 4.01Å; R536-C538 PolarHBondContact O-N 3.15Å
537	G	93.3	Very high	97.5	Very high	31 Å²	31	31.1 Å²	31.1	32%	0.32	17%	0.171	S	C	.	.	S	Bend	trans	-68.9	44.7	-176.9	0	0	0	0	0	115.8	G369	G369-G537 WeakPolarHBondContact O-CA 3.47Å
538	C	95.8	Very high	97.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.163	C	C	.	.			trans	-77.3	138.3	166	-172.2	0	0	0	0	108.7	T368 G369 E395 L534 R536	T368-C538 WeakPolarHBondContact CA-O 3.45Å; G369-C538 PolarHBondContact N-O 2.87Å; E395-C538 WeakPolarHBondContact O-CA 3.38Å; E395-C538 PolarHBondContact O-SG 3.25Å; E395-C538 VanDerWaalsContact O-SG 3.35Å; L534-C538 WeakPolarHBondContact CD1-O 3.11Å; L534-C538 HydrophobicContact CD2-CB 4.26Å; R536-C538 PolarHBondContact O-N 3.15Å
539	T	98.3	Very high	97.5	Very high	13 Å²	13	35.9 Å²	35.9	8%	0.08	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.9	175.5	-57.3	0	0	0	0	109.2	T366 V367 T368 D394 E395	T366-T539 HydrophobicContact CG2-CG2 3.51Å; V367-T539 WeakPolarHBondContact O-CA 3.16Å; T368-T539 VanDerWaalsContact CG2-OG1 3.32Å; T368-T539 WeakPolarHBondContact CG2-OG1 2.91Å; T368-T539 WeakPolarHBondContact OG1-CG2 3.48Å; T368-T539 PolarHBondContact OG1-OG1 2.98Å; D394-T539 HydrophobicContact CB-CG2 4.28Å; D394-T539 PolarHBondContact N-O 3.44Å; D394-T539 VanDerWaalsContact N-O 3.11Å; E395-T539 PolarHBondContact N-O 3.14Å; E395-T539 VanDerWaalsContact N-O 3.09Å; E395-T539 PolarHBondContact O-N 3.32Å
540	V	98.7	Very high	97.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	148.7	176.4	-54.9	0	0	0	0	110.7	T366 V367 V391 S392 I393 D394 I532 L534	T366-V540 WeakPolarHBondContact CA-O 3.28Å; V367-V540 HydrophobicContact CG1-CG2 3.82Å; V367-V540 PolarHBondContact N-O 3.4Å; V367-V540 PolarHBondContact O-N 3.32Å; V391-V540 HydrophobicContact CG1-CB 3.77Å; V391-V540 HydrophobicContact CG1-CG1 4.43Å; V391-V540 HydrophobicContact CG1-CG2 3.99Å; S392-V540 VanDerWaalsContact O-CA 3.3Å; S392-V540 WeakPolarHBondContact O-CA 3.32Å; S392-V540 WeakPolarHBondContact O-CB 3.34Å; I393-V540 HydrophobicContact CD1-CG1 3.7Å; D394-V540 WeakPolarHBondContact OD2-CA 3.35Å; I532-V540 HydrophobicContact CD1-CG2 4.02Å; I532-V540 HydrophobicContact CG2-CG2 3.59Å; L534-V540 HydrophobicContact CD1-CG2 4.31Å; L534-V540 HydrophobicContact CD2-CG1 3.98Å; L534-V540 HydrophobicContact CD2-CG2 4.01Å
541	S	98.6	Very high	97.3	Very high	29 Å²	29	39.7 Å²	39.7	20%	0.203	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.7	176.7	55.1	0	0	0	0	110	L365 V391 S392 D394	L365-S541 CarbonylContact O-C 3.55Å; L365-S541 VanDerWaalsContact O-CA 3.31Å; L365-S541 WeakPolarHBondContact O-CA 3.39Å; V391-S541 CarbonylContact C-O 3.28Å; V391-S541 VanDerWaalsContact CA-O 3.29Å; V391-S541 WeakPolarHBondContact CA-O 3.46Å; S392-S541 PolarHBondContact N-O 2.82Å; S392-S541 PolarHBondContact O-N 2.93Å; D394-S541 PolarHBondContact OD1-OG 2.9Å; D394-S541 WeakPolarHBondContact OD2-CB 3.43Å; D394-S541 PolarHBondContact OD2-N 3.48Å; D394-S541 PolarHBondContact OD2-OG 3.03Å
542	V	98.6	Very high	97.2	Very high	9 Å²	9	40.1 Å²	40.1	6%	0.055	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	138.2	-179.7	63.8	0	0	0	0	110.7	L349 L365 F389 E390 V391 I532 F544	L349-V542 HydrophobicContact CD1-CG1 4.2Å; L349-V542 HydrophobicContact CD2-CG1 4Å; L349-V542 HydrophobicContact CG-CG1 3.92Å; L365-V542 HydrophobicContact CD2-CG1 4.12Å; L365-V542 WeakPolarHBondContact O-CG1 3.5Å; L365-V542 PolarHBondContact O-N 2.86Å; F389-V542 HydrophobicContact CD2-CG2 3.92Å; F389-V542 HydrophobicContact CE2-CG2 4.43Å; E390-V542 WeakPolarHBondContact O-CG2 3.48Å; V391-V542 HydrophobicContact CG2-CG2 4.35Å; I532-V542 HydrophobicContact CD1-CB 4.2Å; V542-F544 HydrophobicContact CB-CE2 4.39Å; V542-F544 HydrophobicContact CB-CZ 4.21Å; V542-F544 HydrophobicContact CG1-CD2 4.31Å; V542-F544 HydrophobicContact CG1-CE1 4.44Å; V542-F544 HydrophobicContact CG1-CE2 3.5Å; V542-F544 HydrophobicContact CG1-CZ 3.59Å; V542-F544 HydrophobicContact CG2-CD1 3.97Å; V542-F544 HydrophobicContact CG2-CD2 4.37Å; V542-F544 HydrophobicContact CG2-CE1 3.51Å; V542-F544 HydrophobicContact CG2-CE2 3.96Å; V542-F544 HydrophobicContact CG2-CG 4.38Å; V542-F544 HydrophobicContact CG2-CZ 3.51Å
543	N	98.4	Very high	96.9	Very high	51 Å²	51	49.6 Å²	49.6	27%	0.273	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	109.3	172.7	179.1	5.9	0	0	0	109	E390 G545 L547	E390-N543 HydrophobicContact CB-CB 4.21Å; E390-N543 PolarHBondContact N-O 2.66Å; E390-N543 PolarHBondContact O-N 3.5Å; N543-G545 VanDerWaalsContact C-N 3.27Å; N543-G545 PolarHBondContact O-N 2.79Å; N543-G545 PolarHBondContact OD1-N 2.76Å; N543-L547 PolarHBondContact ND2-O 3.06Å
544	F	98.4	Very high	96.8	Very high	8 Å²	8	54 Å²	54	4%	0.035	28%	0.279	C	S	.	.			trans	-82.2	-3.2	179.5	-61.4	-67.7	0	0	0	113.4	V347 L349 L365 A378 F389 P530 V542 M560 S561	V347-F544 HydrophobicContact CB-CB 4.28Å; V347-F544 HydrophobicContact CB-CD2 4.11Å; V347-F544 HydrophobicContact CB-CG 4.05Å; V347-F544 HydrophobicContact CG1-CB 4.41Å; V347-F544 HydrophobicContact CG1-CD1 3.76Å; V347-F544 HydrophobicContact CG1-CD2 3.91Å; V347-F544 HydrophobicContact CG1-CE1 3.9Å; V347-F544 HydrophobicContact CG1-CE2 4.05Å; V347-F544 HydrophobicContact CG1-CG 3.76Å; V347-F544 HydrophobicContact CG1-CZ 4.04Å; V347-F544 WeakPolarHBondContact O-CD2 3.36Å; L349-F544 HydrophobicContact CD2-CZ 4.47Å; L365-F544 HydrophobicContact CD2-CD2 3.96Å; L365-F544 HydrophobicContact CD2-CE2 3.86Å; A378-F544 HydrophobicContact CB-CE1 3.74Å; A378-F544 HydrophobicContact CB-CZ 3.72Å; F389-F544 HydrophobicContact CB-CD1 4.2Å; P530-F544 HydrophobicContact CB-CE1 3.94Å; P530-F544 HydrophobicContact CG-CD1 4.46Å; P530-F544 HydrophobicContact CG-CE1 4.04Å; V542-F544 HydrophobicContact CB-CE2 4.39Å; V542-F544 HydrophobicContact CB-CZ 4.21Å; V542-F544 HydrophobicContact CG1-CD2 4.31Å; V542-F544 HydrophobicContact CG1-CE1 4.44Å; V542-F544 HydrophobicContact CG1-CE2 3.5Å; V542-F544 HydrophobicContact CG1-CZ 3.59Å; V542-F544 HydrophobicContact CG2-CD1 3.97Å; V542-F544 HydrophobicContact CG2-CD2 4.37Å; V542-F544 HydrophobicContact CG2-CE1 3.51Å; V542-F544 HydrophobicContact CG2-CE2 3.96Å; V542-F544 HydrophobicContact CG2-CG 4.38Å; V542-F544 HydrophobicContact CG2-CZ 3.51Å; F544-M560 HydrophobicContact CB-CB 3.93Å; F544-M560 HydrophobicContact CD1-CB 3.81Å; F544-M560 HydrophobicContact CD1-CG 4.45Å; F544-M560 HydrophobicContact CG-CB 4.32Å; F544-M560 PolarHBondContact O-N 3.3Å; F544-S561 PolarHBondContact O-N 3.47Å
545	G	97.2	Very high	96.7	Very high	18 Å²	18	55.7 Å²	55.7	19%	0.186	29%	0.288	C	S	.	.	S	Bend	trans	93.3	-173.1	-176.2	0	0	0	0	0	113.5	N543 L547 F548 S561	N543-G545 VanDerWaalsContact C-N 3.27Å; N543-G545 PolarHBondContact O-N 2.79Å; N543-G545 PolarHBondContact OD1-N 2.76Å; G545-L547 VanDerWaalsContact C-N 3.34Å; G545-F548 VanDerWaalsContact CA-CE1 3.44Å; G545-S561 VanDerWaalsContact C-OG 3.31Å; G545-S561 WeakPolarHBondContact O-CB 3.43Å; G545-S561 PolarHBondContact O-OG 3.06Å
546	P	95.1	Very high	96.7	Very high	87 Å²	87	61.7 Å²	61.7	57%	0.565	32%	0.315	S	S	*	.	S	Bend	cis	-77.9	-14.5	1.1	31.6	-35.9	0	0	0	113.8	F548 P559	P546-F548 VanDerWaalsContact O-CD2 3.26Å; P546-F548 WeakPolarHBondContact O-CD2 3.44Å; P546-F548 PolarHBondContact O-N 2.67Å; P546-P559 HydrophobicContact CB-CB 4.33Å; P546-P559 HydrophobicContact CB-CG 4.05Å
547	L	96.6	Very high	96.8	Very high	150 Å²	150	59.6 Å²	59.6	79%	0.785	31%	0.308	S	S	*	.	S	Bend	trans	-87	89.2	-176.9	-61.7	177.8	0	0	0	111	N543 G545	N543-L547 PolarHBondContact ND2-O 3.06Å; G545-L547 VanDerWaalsContact C-N 3.34Å
548	F	98.1	Very high	97.1	Very high	24 Å²	24	62.6 Å²	62.6	11%	0.105	31%	0.314	C	S	.	.			trans	-84.7	151.2	177.4	-61.8	-67.9	0	0	0	112.5	Y388 E390 G545 P546 P551 Y557 P559	Y388-F548 AromaticContact CD1-CD1 3.99Å; Y388-F548 HydrophobicContact CD1-CD1 3.99Å; Y388-F548 HydrophobicContact CD1-CD2 4.12Å; Y388-F548 AromaticContact CD1-CE1 3.72Å; Y388-F548 HydrophobicContact CD1-CE1 3.72Å; Y388-F548 AromaticContact CD1-CE2 3.89Å; Y388-F548 HydrophobicContact CD1-CE2 3.89Å; Y388-F548 HydrophobicContact CD1-CG 4.16Å; Y388-F548 AromaticContact CD1-CZ 3.65Å; Y388-F548 HydrophobicContact CD1-CZ 3.65Å; Y388-F548 AromaticContact CE1-CD1 3.72Å; Y388-F548 HydrophobicContact CE1-CD1 3.72Å; Y388-F548 HydrophobicContact CE1-CD2 4.21Å; Y388-F548 AromaticContact CE1-CE1 3.92Å; Y388-F548 HydrophobicContact CE1-CE1 3.92Å; Y388-F548 HydrophobicContact CE1-CE2 4.4Å; Y388-F548 AromaticContact CE1-CG 3.85Å; Y388-F548 HydrophobicContact CE1-CG 3.85Å; Y388-F548 HydrophobicContact CE1-CZ 4.25Å; E390-F548 HydrophobicContact CB-CD1 4.23Å; E390-F548 HydrophobicContact CG-CD1 3.75Å; E390-F548 HydrophobicContact CG-CE1 4.48Å; E390-F548 HydrophobicContact CG-CG 4.48Å; G545-F548 VanDerWaalsContact CA-CE1 3.44Å; P546-F548 VanDerWaalsContact O-CD2 3.26Å; P546-F548 WeakPolarHBondContact O-CD2 3.44Å; P546-F548 PolarHBondContact O-N 2.67Å; F548-P551 HydrophobicContact CB-CB 4.08Å; F548-P551 HydrophobicContact CD2-CB 4.47Å; F548-Y557 HydrophobicContact CD2-CE2 4.13Å; F548-Y557 WeakPolarHBondContact CD2-OH 3.43Å; F548-Y557 AromaticContact CE2-CE2 3.6Å; F548-Y557 HydrophobicContact CE2-CE2 3.6Å; F548-Y557 HydrophobicContact CZ-CE2 4.4Å; F548-P559 HydrophobicContact CE2-CB 3.77Å; F548-P559 HydrophobicContact CZ-CB 3.66Å
549	K	97.5	Very high	97.2	Very high	128 Å²	128	63.3 Å²	63.3	56%	0.557	32%	0.318	S	S	*	.	S	Bend	trans	-75	-37.3	173.7	-171.3	-177.2	170.4	-171.8	0	110.7	E390 T451	E390-K549 PolarHBondContact OE2-N 3.32Å; T451-K549 HydrophobicContact CG2-CB 4.33Å; T451-K549 HydrophobicContact CG2-CD 4.29Å; T451-K549 WeakPolarHBondContact OG1-CD 3.35Å; T451-K549 PolarHBondContact OG1-NZ 3.2Å
550	H	97.4	Very high	97.2	Very high	54 Å²	54	62.7 Å²	62.7	25%	0.25	31%	0.314	C	S	.	.	S	Bend	trans	-135.6	69.4	179.8	-59.5	-75.3	0	0	0	111.4	Y388 E390	Y388-H550 PolarHBondContact OH-O 2.96Å; E390-H550 WeakPolarHBondContact OE1-CA 3.28Å; E390-H550 PolarHBondContact OE1-N 2.91Å; E390-H550 VanDerWaalsContact OE1-O 3.07Å
551	P	96.3	Very high	97	Very high	54 Å²	54	64 Å²	64	35%	0.351	32%	0.324	S	S	.	.			trans	-60.5	139.3	-178.1	25.1	-33.8	0	0	0	112	F548 K553 Y557	F548-P551 HydrophobicContact CB-CB 4.08Å; F548-P551 HydrophobicContact CD2-CB 4.47Å; P551-K553 PolarHBondContact O-N 3.4Å; P551-Y557 WeakPolarHBondContact CB-OH 3.44Å
552	P	95.2	Very high	96.9	Very high	10 Å²	10	66.7 Å²	66.7	7%	0.065	34%	0.336	C	S	.	.			trans	-57	135.9	171.5	-24.4	32.5	0	0	0	111.4	Y388 Y510 I555 Y557	Y388-P552 HydrophobicContact CD1-CG 4.14Å; Y388-P552 HydrophobicContact CD2-CG 3.59Å; Y388-P552 VanDerWaalsContact CE1-CD 3.44Å; Y388-P552 HydrophobicContact CE1-CG 3.95Å; Y388-P552 HydrophobicContact CE2-CG 3.36Å; Y388-P552 HydrophobicContact CG-CG 3.97Å; Y388-P552 VanDerWaalsContact CZ-CD 3.42Å; Y510-P552 HydrophobicContact CE1-CB 4.06Å; Y510-P552 HydrophobicContact CE1-CG 4.38Å; Y510-P552 HydrophobicContact CE2-CG 4.4Å; P552-I555 HydrophobicContact CB-CG2 3.96Å; P552-Y557 HydrophobicContact CB-CD1 4.08Å; P552-Y557 HydrophobicContact CB-CE1 3.92Å; P552-Y557 HydrophobicContact CG-CD1 4.1Å; P552-Y557 HydrophobicContact CG-CE1 3.9Å
553	K	94	Very high	96.7	Very high	201 Å²	201	67.2 Å²	67.2	87%	0.874	34%	0.338	S	S	*	.	S	Bend	trans	-110.5	-11	178.7	-61	-177.4	-178.3	179.9	0	112.9	P551	P551-K553 PolarHBondContact O-N 3.4Å
554	D	95.2	Very high	96.3	Very high	92 Å²	92	64.8 Å²	64.8	49%	0.492	33%	0.325	S	S	.	.	S	Bend	trans	-101.6	-12.4	-171.1	60.6	-43.3	0	0	0	113.1	Y510 N515	Y510-D554 VanDerWaalsContact CE1-OD1 3.28Å; Y510-D554 WeakPolarHBondContact CE1-OD1 3.42Å; Y510-D554 PolarHBondContact OH-OD1 3.45Å; Y510-D554 PolarHBondContact OH-OD2 2.93Å; N515-D554 PolarHBondContact ND2-OD2 3.1Å
555	I	96.1	Very high	95.7	Very high	36 Å²	36	71.1 Å²	71.1	19%	0.185	35%	0.349	C	S	.	.	S	Bend	trans	-142	147.5	-177.2	-163	157.9	0	0	0	111.6	F455 L508 Y510 P552	F455-I555 HydrophobicContact CD1-CD1 4.2Å; F455-I555 HydrophobicContact CD2-CD1 4.5Å; F455-I555 HydrophobicContact CD2-CG2 4.07Å; F455-I555 HydrophobicContact CE1-CD1 3.51Å; F455-I555 HydrophobicContact CE2-CD1 3.85Å; F455-I555 HydrophobicContact CE2-CG1 4.02Å; F455-I555 HydrophobicContact CE2-CG2 4.07Å; F455-I555 HydrophobicContact CZ-CD1 3.3Å; F455-I555 HydrophobicContact CZ-CG1 3.89Å; L508-I555 HydrophobicContact CD1-CD1 3.9Å; Y510-I555 WeakPolarHBondContact OH-CG2 3.23Å; P552-I555 HydrophobicContact CB-CG2 3.96Å
556	K	97.3	Very high	95.3	Very high	192 Å²	192	71.5 Å²	71.5	84%	0.835	35%	0.353	S	S	*	.			trans	-79.9	138.6	170.9	-67.9	-174.8	178.4	-178.1	0	109.9
557	Y	97.7	Very high	95.1	Very high	64 Å²	64	67.8 Å²	67.8	25%	0.251	33%	0.329	S	S	.	.			trans	-153.8	164.1	-178.7	67.9	-90.9	0	0	0	111.1	S386 Y388 F548 P551 P552	S386-Y557 CarbonylContact O-C 3.38Å; S386-Y557 WeakPolarHBondContact O-CA 3.43Å; Y388-Y557 VanDerWaalsContact CB-CD2 3.41Å; Y388-Y557 HydrophobicContact CD1-CD2 4.34Å; Y388-Y557 HydrophobicContact CD1-CE2 4.05Å; Y388-Y557 HydrophobicContact CG-CD2 4.18Å; Y388-Y557 HydrophobicContact CG-CE2 4.35Å; Y388-Y557 HydrophobicContact CG-CG 4.48Å; F548-Y557 HydrophobicContact CD2-CE2 4.13Å; F548-Y557 WeakPolarHBondContact CD2-OH 3.43Å; F548-Y557 AromaticContact CE2-CE2 3.6Å; F548-Y557 HydrophobicContact CE2-CE2 3.6Å; F548-Y557 HydrophobicContact CZ-CE2 4.4Å; P551-Y557 WeakPolarHBondContact CB-OH 3.44Å; P552-Y557 HydrophobicContact CB-CD1 4.08Å; P552-Y557 HydrophobicContact CB-CE1 3.92Å; P552-Y557 HydrophobicContact CG-CD1 4.1Å; P552-Y557 HydrophobicContact CG-CE1 3.9Å
558	Q	97.7	Very high	94.7	Very high	95 Å²	95	62.1 Å²	62.1	44%	0.444	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	137.3	165.9	-68	174	-12.8	0	0	109.2	S386 W387 Y388	S386-Q558 PolarHBondContact O-N 3.05Å; W387-Q558 CarbonylContact C-O 3.5Å; W387-Q558 VanDerWaalsContact CA-O 3.31Å; W387-Q558 WeakPolarHBondContact CA-O 3.25Å; W387-Q558 HydrophobicContact CD2-CB 4.11Å; W387-Q558 HydrophobicContact CE3-CB 3.66Å; W387-Q558 HydrophobicContact CH2-CB 4.13Å; W387-Q558 HydrophobicContact CZ3-CB 3.67Å; Y388-Q558 PolarHBondContact N-O 2.84Å
559	P	98.1	Very high	94.4	Very high	14 Å²	14	66.4 Å²	66.4	9%	0.091	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	142.9	173.3	30.3	-35	0	0	0	110	W387 P546 F548 S561 D562	W387-P559 WeakPolarHBondContact CZ3-O 3.3Å; P546-P559 HydrophobicContact CB-CB 4.33Å; P546-P559 HydrophobicContact CB-CG 4.05Å; F548-P559 HydrophobicContact CE2-CB 3.77Å; F548-P559 HydrophobicContact CZ-CB 3.66Å; P559-S561 WeakPolarHBondContact CB-OG 3.41Å; P559-S561 PolarHBondContact O-N 3.36Å; P559-S561 VanDerWaalsContact O-N 3.07Å; P559-D562 WeakPolarHBondContact CD-OD2 3.44Å; P559-D562 HydrophobicContact CG-CB 4.48Å; P559-D562 WeakPolarHBondContact CG-OD1 3.28Å; P559-D562 WeakPolarHBondContact CG-OD2 3.42Å; P559-D562 PolarHBondContact O-N 3.37Å
560	M	98	Very high	94.1	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-55.6	-27	175.2	-81.1	-58.4	-50.4	0	0	113.3	V347 V382 W387 Y388 F389 W406 P530 F544 D562 M563	V347-M560 WeakPolarHBondContact CG2-O 3.39Å; V382-M560 HydrophobicContact CG1-CE 3.89Å; V382-M560 HydrophobicContact CG1-SD 3.63Å; W387-M560 HydrophobicContact CB-SD 3.99Å; W387-M560 HydrophobicContact CD2-SD 4.44Å; W387-M560 HydrophobicContact CE3-SD 4.17Å; W387-M560 HydrophobicContact CG-SD 4.41Å; Y388-M560 PolarHBondContact O-N 2.99Å; F389-M560 HydrophobicContact CB-CB 4.19Å; F389-M560 HydrophobicContact CB-CG 3.83Å; F389-M560 HydrophobicContact CD1-CG 4.16Å; F389-M560 HydrophobicContact CG-CG 4.37Å; W406-M560 HydrophobicContact CH2-CG 4.23Å; W406-M560 HydrophobicContact CH2-SD 3.66Å; W406-M560 HydrophobicContact CZ3-SD 4.03Å; P530-M560 HydrophobicContact CG-CE 3.8Å; P530-M560 HydrophobicContact CG-CG 3.92Å; P530-M560 HydrophobicContact CG-SD 4.07Å; F544-M560 HydrophobicContact CB-CB 3.93Å; F544-M560 HydrophobicContact CD1-CB 3.81Å; F544-M560 HydrophobicContact CD1-CG 4.45Å; F544-M560 HydrophobicContact CG-CB 4.32Å; F544-M560 PolarHBondContact O-N 3.3Å; M560-D562 PolarHBondContact O-N 3.39Å; M560-M563 HydrophobicContact CE-CB 4.36Å; M560-M563 HydrophobicContact CE-CG 4.07Å; M560-M563 WeakPolarHBondContact O-CB 3.26Å; M560-M563 PolarHBondContact O-N 2.92Å; M560-M563 VanDerWaalsContact O-N 3.11Å
561	S	96.5	Very high	93.9	Very high	29 Å²	29	61.5 Å²	61.5	20%	0.203	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-54.2	-31.8	175.3	55.8	0	0	0	0	113.8	F544 G545 P559 M563 G564	F544-S561 PolarHBondContact O-N 3.47Å; G545-S561 VanDerWaalsContact C-OG 3.31Å; G545-S561 WeakPolarHBondContact O-CB 3.43Å; G545-S561 PolarHBondContact O-OG 3.06Å; P559-S561 WeakPolarHBondContact CB-OG 3.41Å; P559-S561 PolarHBondContact O-N 3.36Å; P559-S561 VanDerWaalsContact O-N 3.07Å; S561-M563 PolarHBondContact O-N 3.37Å; S561-G564 PolarHBondContact O-N 2.65Å
562	D	95.3	Very high	93.6	Very high	84 Å²	84	60.6 Å²	60.6	45%	0.449	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-69.7	-21.8	-177.4	-66.2	1	0	0	0	112	W387 P559 M560 G564 G566	W387-D562 HydrophobicContact CZ3-CB 4.12Å; P559-D562 WeakPolarHBondContact CD-OD2 3.44Å; P559-D562 HydrophobicContact CG-CB 4.48Å; P559-D562 WeakPolarHBondContact CG-OD1 3.28Å; P559-D562 WeakPolarHBondContact CG-OD2 3.42Å; P559-D562 PolarHBondContact O-N 3.37Å; M560-D562 PolarHBondContact O-N 3.39Å; D562-G564 PolarHBondContact O-N 3.07Å; D562-G566 PolarHBondContact O-N 3.01Å
563	M	93.9	Very high	93.5	Very high	20 Å²	20	64.2 Å²	64.2	10%	0.099	32%	0.315	C	S	.	.	H	α-helix	trans	-66.1	-18.9	175.3	-79.6	-52.3	-48.3	0	0	113.8	V347 H380 G381 V382 W387 M560 S561 G566 A567	V347-M563 HydrophobicContact CG2-CB 4.32Å; H380-M563 HydrophobicContact CB-CB 4.03Å; G381-M563 WeakPolarHBondContact O-CE 3.38Å; V382-M563 HydrophobicContact CG1-CG 3.64Å; V382-M563 HydrophobicContact CG1-SD 4.02Å; W387-M563 HydrophobicContact CD2-CG 4.46Å; W387-M563 HydrophobicContact CE3-CG 3.98Å; W387-M563 HydrophobicContact CH2-CG 3.53Å; W387-M563 HydrophobicContact CH2-SD 3.17Å; W387-M563 WeakPolarHBondContact CH2-SD 3.3Å; W387-M563 HydrophobicContact CZ2-CG 4.03Å; W387-M563 HydrophobicContact CZ2-SD 3.31Å; W387-M563 WeakPolarHBondContact CZ2-SD 3.45Å; W387-M563 HydrophobicContact CZ3-CB 4.44Å; W387-M563 HydrophobicContact CZ3-CG 3.49Å; W387-M563 VanDerWaalsContact CZ3-CG 3.49Å; W387-M563 HydrophobicContact CZ3-SD 3.84Å; M560-M563 HydrophobicContact CE-CB 4.36Å; M560-M563 HydrophobicContact CE-CG 4.07Å; M560-M563 WeakPolarHBondContact O-CB 3.26Å; M560-M563 PolarHBondContact O-N 2.92Å; M560-M563 VanDerWaalsContact O-N 3.11Å; S561-M563 PolarHBondContact O-N 3.37Å; M563-G566 PolarHBondContact O-N 2.93Å; M563-A567 HydrophobicContact CE-CB 4.42Å; M563-A567 VanDerWaalsContact O-CB 3.24Å; M563-A567 WeakPolarHBondContact O-CB 3.37Å; M563-A567 PolarHBondContact O-N 3.44Å
564	G	89.7	Confident	93.5	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.7	-59.4	179.5	0	0	0	0	0	111.6	E345 S561 D562 V568	E345-G564 WeakPolarHBondContact O-CA 3.47Å; S561-G564 PolarHBondContact O-N 2.65Å; D562-G564 PolarHBondContact O-N 3.07Å; G564-V568 WeakPolarHBondContact O-CG2 3.3Å; G564-V568 PolarHBondContact O-N 2.77Å
565	W	86.1	Confident	93.3	Very high	142 Å²	142	50.8 Å²	50.8	54%	0.538	25%	0.253	S	S	.	.	H	α-helix	trans	-68.3	-38	175.1	-76.2	109.7	0	0	0	113	E345 A567 V568 I569	E345-W565 HydrophobicContact CB-CD2 4.48Å; E345-W565 HydrophobicContact CB-CH2 4.48Å; E345-W565 HydrophobicContact CB-CZ2 4.1Å; E345-W565 HydrophobicContact CG-CD2 4.38Å; E345-W565 HydrophobicContact CG-CE3 4.28Å; E345-W565 HydrophobicContact CG-CH2 3.66Å; E345-W565 HydrophobicContact CG-CZ2 3.76Å; E345-W565 HydrophobicContact CG-CZ3 3.93Å; E345-W565 WeakPolarHBondContact OE1-CH2 3.37Å; E345-W565 WeakPolarHBondContact OE2-CH2 3.49Å; E345-W565 WeakPolarHBondContact OE2-CZ2 3.39Å; W565-A567 VanDerWaalsContact C-N 3.31Å; W565-A567 PolarHBondContact O-N 2.9Å; W565-V568 PolarHBondContact O-N 2.88Å; W565-I569 WeakPolarHBondContact O-CG1 3.47Å; W565-I569 PolarHBondContact O-N 2.98Å
566	G	89.9	Confident	93	Very high	26 Å²	26	53.5 Å²	53.5	27%	0.268	27%	0.266	S	S	.	.	H	α-helix	trans	-55.7	-45.6	177.8	0	0	0	0	0	112.4	D562 M563 I569 E570	D562-G566 PolarHBondContact O-N 3.01Å; M563-G566 PolarHBondContact O-N 2.93Å; G566-I569 PolarHBondContact O-N 2.92Å; G566-E570 WeakPolarHBondContact O-CG 3.22Å; G566-E570 PolarHBondContact O-N 3.21Å
567	A	90.3	Very high	92.7	Very high	8 Å²	8	47.6 Å²	47.6	7%	0.066	24%	0.243	C	C	.	.	H	α-helix	trans	-68.4	-40.4	177.9	0	0	0	0	0	112.7	H380 M563 W565 I569 E570 H571	H380-A567 VanDerWaalsContact CD2-CB 3.43Å; H380-A567 WeakPolarHBondContact CD2-CB 3.36Å; M563-A567 HydrophobicContact CE-CB 4.42Å; M563-A567 VanDerWaalsContact O-CB 3.24Å; M563-A567 WeakPolarHBondContact O-CB 3.37Å; M563-A567 PolarHBondContact O-N 3.44Å; W565-A567 VanDerWaalsContact C-N 3.31Å; W565-A567 PolarHBondContact O-N 2.9Å; A567-I569 VanDerWaalsContact C-N 3.28Å; A567-I569 PolarHBondContact O-N 2.83Å; A567-E570 PolarHBondContact O-N 2.82Å; A567-H571 WeakPolarHBondContact O-CB 3.22Å; A567-H571 PolarHBondContact O-CD2 3.29Å; A567-H571 VanDerWaalsContact O-CD2 3.28Å; A567-H571 PolarHBondContact O-N 2.89Å
568	V	88.6	Confident	92.3	Very high	32 Å²	32	47.1 Å²	47.1	19%	0.194	24%	0.242	C	C	.	.	H	α-helix	trans	-57.5	-44.5	175.7	171.7	0	0	0	0	110.6	L343 G564 W565 T572	L343-V568 HydrophobicContact CB-CG2 4.11Å; G564-V568 WeakPolarHBondContact O-CG2 3.3Å; G564-V568 PolarHBondContact O-N 2.77Å; W565-V568 PolarHBondContact O-N 2.88Å; V568-T572 VanDerWaalsContact O-CB 3.26Å; V568-T572 WeakPolarHBondContact O-CB 3.38Å; V568-T572 PolarHBondContact O-N 3.45Å; V568-T572 PolarHBondContact O-OG1 3.37Å
569	I	90.8	Very high	91.9	Very high	114 Å²	114	43.7 Å²	43.7	59%	0.585	23%	0.225	S	C	*	.	H	α-helix	trans	-64.8	-51.6	177.9	-65.8	165	0	0	0	110.7	W565 G566 A567 H571 T572 L573	W565-I569 WeakPolarHBondContact O-CG1 3.47Å; W565-I569 PolarHBondContact O-N 2.98Å; G566-I569 PolarHBondContact O-N 2.92Å; A567-I569 VanDerWaalsContact C-N 3.28Å; A567-I569 PolarHBondContact O-N 2.83Å; I569-H571 PolarHBondContact O-N 3.29Å; I569-T572 PolarHBondContact O-N 3.09Å; I569-L573 WeakPolarHBondContact O-CB 3.47Å; I569-L573 PolarHBondContact O-N 3.05Å
570	E	92.6	Very high	91.3	Very high	52 Å²	52	47.2 Å²	47.2	24%	0.243	25%	0.246	C	C	.	.	H	α-helix	trans	-62.5	-41.3	-177.1	-74.3	-172.2	159.3	0	0	112.4	R383 P469 G566 A567 A574	R383-E570 IonicContact CZ-OE2 2.76Å; R383-E570 IonicContact NH2-OE1 2.9Å; R383-E570 IonicContact NH2-OE2 3.57Å; R383-E570 PolarHBondContact NH2-OE2 3.28Å; P469-E570 HydrophobicContact CG-CB 4.08Å; G566-E570 WeakPolarHBondContact O-CG 3.22Å; G566-E570 PolarHBondContact O-N 3.21Å; A567-E570 PolarHBondContact O-N 2.82Å; E570-A574 WeakPolarHBondContact O-CB 3.45Å; E570-A574 PolarHBondContact O-N 3.01Å
571	H	92.1	Very high	90.7	Very high	27 Å²	27	53.2 Å²	53.2	13%	0.125	27%	0.274	C	S	.	.	H	α-helix	trans	-70.2	-40.9	176.4	-84.6	-89.3	0	0	0	112.4	L343 P469 D470 A567 I569 L573 A574 D575	L343-H571 HydrophobicContact CD1-CB 3.33Å; L343-H571 WeakPolarHBondContact CD1-CD2 3.48Å; P469-H571 VanDerWaalsContact CB-CE1 3.45Å; P469-H571 WeakPolarHBondContact CB-CE1 3.44Å; P469-H571 WeakPolarHBondContact CB-NE2 3.4Å; P469-H571 HydrophobicContact CG-CB 4.24Å; D470-H571 PolarHBondContact O-CE1 3.29Å; A567-H571 WeakPolarHBondContact O-CB 3.22Å; A567-H571 PolarHBondContact O-CD2 3.29Å; A567-H571 VanDerWaalsContact O-CD2 3.28Å; A567-H571 PolarHBondContact O-N 2.89Å; I569-H571 PolarHBondContact O-N 3.29Å; H571-L573 VanDerWaalsContact C-N 3.28Å; H571-L573 PolarHBondContact O-N 3.46Å; H571-A574 WeakPolarHBondContact O-CB 3.35Å; H571-A574 PolarHBondContact O-N 3.45Å; H571-A574 VanDerWaalsContact O-N 3.16Å; H571-D575 WeakPolarHBondContact O-CB 3.36Å; H571-D575 PolarHBondContact O-N 3.49Å
572	T	90.9	Very high	89.8	Confident	35 Å²	35	53.9 Å²	53.9	22%	0.215	28%	0.277	C	S	.	.	H	α-helix	trans	-59.9	-42.6	175.2	-59.2	0	0	0	0	110.7	V568 I569 D575 M576	V568-T572 VanDerWaalsContact O-CB 3.26Å; V568-T572 WeakPolarHBondContact O-CB 3.38Å; V568-T572 PolarHBondContact O-N 3.45Å; V568-T572 PolarHBondContact O-OG1 3.37Å; I569-T572 PolarHBondContact O-N 3.09Å; T572-D575 PolarHBondContact O-N 3.43Å; T572-M576 HydrophobicContact CG2-SD 4.22Å; T572-M576 VanDerWaalsContact O-CG 3.27Å; T572-M576 WeakPolarHBondContact O-CG 3.23Å; T572-M576 PolarHBondContact O-N 2.74Å
573	L	92.4	Very high	88.6	Confident	86 Å²	86	56.1 Å²	56.1	45%	0.45	29%	0.289	S	S	.	.	H	α-helix	trans	-64.1	-42.5	175.7	-176.3	65.6	0	0	0	111.8	L468 I569 H571 M576 L577	L468-L573 HydrophobicContact CD1-CD2 4.32Å; L468-L573 HydrophobicContact CD1-CG 4.27Å; L468-L573 HydrophobicContact CD2-CD2 4.11Å; I569-L573 WeakPolarHBondContact O-CB 3.47Å; I569-L573 PolarHBondContact O-N 3.05Å; H571-L573 VanDerWaalsContact C-N 3.28Å; H571-L573 PolarHBondContact O-N 3.46Å; L573-M576 PolarHBondContact O-N 3.04Å; L573-L577 HydrophobicContact CD1-CD1 4.3Å; L573-L577 HydrophobicContact CD1-CG 4.47Å; L573-L577 HydrophobicContact CG-CD1 4Å; L573-L577 WeakPolarHBondContact O-CB 3.37Å; L573-L577 VanDerWaalsContact O-CG 3.31Å; L573-L577 WeakPolarHBondContact O-CG 3.48Å; L573-L577 PolarHBondContact O-N 2.93Å
574	A	93.6	Very high	86.9	Confident	7 Å²	7	60.6 Å²	60.6	6%	0.058	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-44.5	176	0	0	0	0	0	111.8	L468 P469 T471 E570 H571 L577 Y578	L468-A574 HydrophobicContact CB-CB 4.05Å; L468-A574 HydrophobicContact CD1-CB 4.45Å; P469-A574 HydrophobicContact CG-CB 4.15Å; P469-A574 WeakPolarHBondContact O-CB 3.27Å; T471-A574 VanDerWaalsContact CG2-C 3.46Å; T471-A574 HydrophobicContact CG2-CB 3.72Å; T471-A574 WeakPolarHBondContact CG2-O 3.44Å; E570-A574 WeakPolarHBondContact O-CB 3.45Å; E570-A574 PolarHBondContact O-N 3.01Å; H571-A574 WeakPolarHBondContact O-CB 3.35Å; H571-A574 PolarHBondContact O-N 3.45Å; H571-A574 VanDerWaalsContact O-N 3.16Å; A574-L577 PolarHBondContact O-N 3.38Å; A574-Y578 WeakPolarHBondContact O-CB 3.37Å; A574-Y578 PolarHBondContact O-N 2.8Å
575	D	91.9	Very high	85.3	Confident	3 Å²	3	65.8 Å²	65.8	2%	0.016	35%	0.345	C	S	.	.	H	α-helix	trans	-63.4	-44.4	178.2	-68.8	-31.1	0	0	0	111.7	R340 T471 K473 H571 T572 Y578 H579	R340-D575 VanDerWaalsContact CB-OD2 3.27Å; R340-D575 WeakPolarHBondContact CB-OD2 3.37Å; T471-D575 WeakPolarHBondContact CB-OD1 3.35Å; T471-D575 WeakPolarHBondContact CG2-OD1 3.12Å; K473-D575 VanDerWaalsContact CE-OD1 3.28Å; K473-D575 WeakPolarHBondContact CE-OD1 3.47Å; H571-D575 WeakPolarHBondContact O-CB 3.36Å; H571-D575 PolarHBondContact O-N 3.49Å; T572-D575 PolarHBondContact O-N 3.43Å; D575-Y578 WeakPolarHBondContact O-CB 3.06Å; D575-Y578 PolarHBondContact O-N 2.88Å; D575-H579 PolarHBondContact O-CD2 2.83Å; D575-H579 PolarHBondContact O-N 2.87Å
576	M	89.9	Confident	83.4	Confident	94 Å²	94	62 Å²	62	46%	0.463	35%	0.35	S	S	.	.	H	α-helix	trans	-63	-44	176.4	-71.6	175.9	78.2	0	0	111.9	T572 L573 Y578 H579 V580	T572-M576 HydrophobicContact CG2-SD 4.22Å; T572-M576 VanDerWaalsContact O-CG 3.27Å; T572-M576 WeakPolarHBondContact O-CG 3.23Å; T572-M576 PolarHBondContact O-N 2.74Å; L573-M576 PolarHBondContact O-N 3.04Å; M576-Y578 VanDerWaalsContact C-N 3.34Å; M576-H579 PolarHBondContact O-N 3.1Å; M576-V580 WeakPolarHBondContact O-CG2 3.44Å; M576-V580 PolarHBondContact O-N 2.78Å; M576-V580 VanDerWaalsContact O-N 3.12Å
577	L	90.6	Very high	81.3	Confident	67 Å²	67	69.9 Å²	69.9	35%	0.351	37%	0.372	S	S	.	.	H	α-helix	trans	-64.9	-39.3	178.3	-75.3	169	0	0	0	111.8	L468 L573 A574 H579 V580 E581	L468-L577 HydrophobicContact CD1-CD1 3.26Å; L573-L577 HydrophobicContact CD1-CD1 4.3Å; L573-L577 HydrophobicContact CD1-CG 4.47Å; L573-L577 HydrophobicContact CG-CD1 4Å; L573-L577 WeakPolarHBondContact O-CB 3.37Å; L573-L577 VanDerWaalsContact O-CG 3.31Å; L573-L577 WeakPolarHBondContact O-CG 3.48Å; L573-L577 PolarHBondContact O-N 2.93Å; A574-L577 PolarHBondContact O-N 3.38Å; L577-H579 VanDerWaalsContact C-N 3.27Å; L577-H579 PolarHBondContact O-N 3.05Å; L577-V580 PolarHBondContact O-N 2.82Å; L577-E581 WeakPolarHBondContact O-CB 3.02Å; L577-E581 WeakPolarHBondContact O-CG 3.3Å; L577-E581 PolarHBondContact O-N 3.15Å
578	Y	90.1	Very high	79.1	Confident	55 Å²	55	79.4 Å²	79.4	22%	0.216	41%	0.406	C	S	.	.	H	α-helix	trans	-55.2	-44	174	177.6	-85.3	0	0	0	111.9	D337 K473 A574 D575 M576 T582	D337-Y578 HydrophobicContact CB-CE1 4.26Å; K473-Y578 HydrophobicContact CB-CD1 4.04Å; K473-Y578 HydrophobicContact CB-CD2 4.37Å; K473-Y578 HydrophobicContact CB-CE1 3.66Å; K473-Y578 HydrophobicContact CB-CE2 4Å; K473-Y578 HydrophobicContact CB-CG 4.38Å; K473-Y578 HydrophobicContact CD-CD1 3.28Å; K473-Y578 HydrophobicContact CD-CD2 4.46Å; K473-Y578 HydrophobicContact CD-CE1 3.71Å; K473-Y578 HydrophobicContact CD-CG 3.72Å; K473-Y578 HydrophobicContact CG-CD1 4.3Å; K473-Y578 HydrophobicContact CG-CE1 4.33Å; A574-Y578 WeakPolarHBondContact O-CB 3.37Å; A574-Y578 PolarHBondContact O-N 2.8Å; D575-Y578 WeakPolarHBondContact O-CB 3.06Å; D575-Y578 PolarHBondContact O-N 2.88Å; M576-Y578 VanDerWaalsContact C-N 3.34Å; Y578-T582 WeakPolarHBondContact O-CB 3.48Å; Y578-T582 PolarHBondContact O-N 3.19Å; Y578-T582 PolarHBondContact O-OG1 3.23Å
579	H	87.5	Confident	76.7	Confident	23 Å²	23	82.3 Å²	82.3	11%	0.106	43%	0.428	C	S	.	.	H	α-helix	trans	-65.6	-43	177.7	-67.8	-50.6	0	0	0	112.2	D315 D337 K473 D575 M576 L577 T582 D583	D315-H579 IonicContact OD2-CD2 3.49Å; D315-H579 IonicContact OD2-CE1 3.7Å; D315-H579 IonicContact OD2-NE2 3.34Å; D315-H579 PolarHBondContact OD2-NE2 3.4Å; D337-H579 PolarHBondContact O-CE1 2.78Å; D337-H579 VanDerWaalsContact O-CE1 3.23Å; K473-H579 PolarHBondContact NZ-NE2 2.65Å; D575-H579 PolarHBondContact O-CD2 2.83Å; D575-H579 PolarHBondContact O-N 2.87Å; M576-H579 PolarHBondContact O-N 3.1Å; L577-H579 VanDerWaalsContact C-N 3.27Å; L577-H579 PolarHBondContact O-N 3.05Å; H579-T582 PolarHBondContact O-N 3.12Å; H579-D583 WeakPolarHBondContact O-CB 3.09Å; H579-D583 PolarHBondContact O-N 2.84Å
580	V	86.9	Confident	74.1	Confident	87 Å²	87	82.1 Å²	82.1	53%	0.527	43%	0.434	S	S	.	.	H	α-helix	trans	-62.1	-47.2	177.2	173.7	0	0	0	0	111.1	M576 L577 T582 D583 V584	M576-V580 WeakPolarHBondContact O-CG2 3.44Å; M576-V580 PolarHBondContact O-N 2.78Å; M576-V580 VanDerWaalsContact O-N 3.12Å; L577-V580 PolarHBondContact O-N 2.82Å; V580-T582 VanDerWaalsContact C-N 3.33Å; V580-T582 PolarHBondContact O-N 3.32Å; V580-D583 PolarHBondContact O-N 3.4Å; V580-V584 HydrophobicContact CG1-CG2 4.4Å; V580-V584 WeakPolarHBondContact O-CB 3.18Å; V580-V584 VanDerWaalsContact O-CG2 3.24Å; V580-V584 WeakPolarHBondContact O-CG2 3.46Å; V580-V584 PolarHBondContact O-N 2.96Å
581	E	84.4	Confident	71.3	Confident	126 Å²	126	85.5 Å²	85.5	59%	0.589	46%	0.46	S	S	*	.	H	α-helix	trans	-61.2	-42.9	178.4	-72.5	176.5	178.3	0	0	111.4	L577 V584 D585	L577-E581 WeakPolarHBondContact O-CB 3.02Å; L577-E581 WeakPolarHBondContact O-CG 3.3Å; L577-E581 PolarHBondContact O-N 3.15Å; E581-V584 PolarHBondContact O-N 3.09Å; E581-D585 WeakPolarHBondContact O-CB 3.4Å; E581-D585 PolarHBondContact O-N 2.74Å
582	T	77.6	Confident	68.4	Low	44 Å²	44	92.4 Å²	92.4	27%	0.27	49%	0.486	S	S	.	.	H	α-helix	trans	-70.3	-34.1	-178.4	-52.1	0	0	0	0	112.7	Y578 H579 V580 G586 R587	Y578-T582 WeakPolarHBondContact O-CB 3.48Å; Y578-T582 PolarHBondContact O-N 3.19Å; Y578-T582 PolarHBondContact O-OG1 3.23Å; H579-T582 PolarHBondContact O-N 3.12Å; V580-T582 VanDerWaalsContact C-N 3.33Å; V580-T582 PolarHBondContact O-N 3.32Å; T582-G586 PolarHBondContact O-N 2.79Å; T582-R587 WeakPolarHBondContact CG2-O 3.35Å
583	D	69.7	Low	65.7	Low	131 Å²	131	99.9 Å²	99.9	70%	0.701	52%	0.518	S	S	*	.	H	α-helix	trans	-72	-41.1	176.6	-163.6	39	0	0	0	111.7	H579 V580	H579-D583 WeakPolarHBondContact O-CB 3.09Å; H579-D583 PolarHBondContact O-N 2.84Å; V580-D583 PolarHBondContact O-N 3.4Å
584	V	59.7	Low	63	Low	114 Å²	114	101.3 Å²	101.3	69%	0.691	55%	0.554	S	S	*	*	H	α-helix	trans	-71.4	-39.1	179	174.7	0	0	0	0	112.4	V580 E581 G586	V580-V584 HydrophobicContact CG1-CG2 4.4Å; V580-V584 WeakPolarHBondContact O-CB 3.18Å; V580-V584 VanDerWaalsContact O-CG2 3.24Å; V580-V584 WeakPolarHBondContact O-CG2 3.46Å; V580-V584 PolarHBondContact O-N 2.96Å; E581-V584 PolarHBondContact O-N 3.09Å; V584-G586 VanDerWaalsContact C-N 3.3Å; V584-G586 PolarHBondContact O-N 2.64Å
585	D	55.7	Low	61.4	Low	109 Å²	109	106.1 Å²	106.1	58%	0.583	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-0.1	-179	-87.5	-7.5	0	0	0	114.1	E581 R587	E581-D585 WeakPolarHBondContact O-CB 3.4Å; E581-D585 PolarHBondContact O-N 2.74Å; D585-R587 PolarHBondContact O-N 2.85Å
586	G	46.9	Very low	59.8	Low	62 Å²	62	111.5 Å²	111.5	64%	0.639	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	63	12.6	176.3	0	0	0	0	0	114.8	T582 V584 R588	T582-G586 PolarHBondContact O-N 2.79Å; V584-G586 VanDerWaalsContact C-N 3.3Å; V584-G586 PolarHBondContact O-N 2.64Å; G586-R588 PolarHBondContact O-N 2.64Å
587	R	45.1	Very low	58.2	Low	191 Å²	191	112.4 Å²	112.4	72%	0.721	62%	0.616	S	S	*	*			trans	-82.7	64.5	176.9	-67.2	-173.8	-171.4	176.2	7.2	110.3	T582 D585 S589	T582-R587 WeakPolarHBondContact CG2-O 3.35Å; D585-R587 PolarHBondContact O-N 2.85Å; R587-S589 PolarHBondContact O-N 3.31Å
588	R	44.5	Very low	56.2	Low	208 Å²	208	115.1 Å²	115.1	79%	0.785	63%	0.632	S	S	*	*			trans	-58.9	122	153.4	-74.9	-177	176.1	-175.8	-2.1	106.4	G586	G586-R588 PolarHBondContact O-N 2.64Å
589	S	38.2	Very low	54.1	Low	93 Å²	93	118.9 Å²	118.9	65%	0.65	66%	0.658	S	S	*	*			trans	-37.1	126.7	173.3	-59.7	0	0	0	0	109.7	R587	R587-S589 PolarHBondContact O-N 3.31Å
590	P	35	Very low	51.9	Low	110 Å²	110	125.3 Å²	125.3	71%	0.714	70%	0.695	S	S	*	*			trans	-57.2	148.4	-177.8	23.1	-32.3	0	0	0	109.4	W592	P590-W592 PolarHBondContact O-N 2.91Å; P590-W592 VanDerWaalsContact O-N 3.08Å
591	P	34.1	Very low	49.4	Very low	123 Å²	123	128 Å²	128	80%	0.799	71%	0.707	S	S	*	*			trans	-54.9	123.3	171.9	-12.8	24.5	0	0	0	107.6	E593	P591-E593 VanDerWaalsContact C-N 3.33Å; P591-E593 PolarHBondContact O-N 3.06Å
592	W	31.3	Very low	46.7	Very low	173 Å²	173	128.2 Å²	128.2	66%	0.655	72%	0.716	S	S	*	*			trans	-69.2	95.8	172.1	-167.8	64.5	0	0	0	107.8	P333 P590	P333-W592 HydrophobicContact CG-CD2 4.33Å; P590-W592 PolarHBondContact O-N 2.91Å; P590-W592 VanDerWaalsContact O-N 3.08Å
593	E	35.5	Very low	44.1	Very low	191 Å²	191	135.2 Å²	135.2	89%	0.893	75%	0.753	S	S	*	*			trans	-83.5	103.1	160.1	-76.4	-170.4	166.8	0	0	108	P591	P591-E593 VanDerWaalsContact C-N 3.33Å; P591-E593 PolarHBondContact O-N 3.06Å
594	G	33.9	Very low	41.8	Very low	117 Å²	117	135.5 Å²	135.5	100%	1.206	76%	0.758	S	S	*	*			trans	-155.1	0	172.6	0	0	0	0	0	110.1

Retrieved 594 of 594 residues in 1268.9 ms (Link to these results)

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