A0A075T6K9_MAIZE Loading...

protein-serine/threonine phosphatase

AlphaFold DB (K7UE32), UniProt , Accession A0A075T6K9, Species MAIZE (Zea mays, Maize), Gene PP2C21, Length 357 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	41.5	Very low	38.3	Very low	242 Å²	242	144.9 Å²	144.9	100%	1.192	82%	0.821	S	S	*	*				0	113.7	0	-89.5	160	70.9	0	0	107
2	V	35.3	Very low	38.3	Very low	133 Å²	133	144.9 Å²	144.9	81%	0.806	83%	0.825	S	S	*	*			trans	-87	112.8	-175.9	177.3	0	0	0	0	107.8	I4	V2-I4 PolarHBondContact O-N 2.95Å
3	C	38.3	Very low	38.3	Very low	129 Å²	129	144.8 Å²	144.8	87%	0.872	82%	0.819	S	S	*	*			trans	-72.5	106.8	166.8	-75.1	0	0	0	0	108.4	G5	C3-G5 PolarHBondContact O-N 2.89Å; C3-G5 VanDerWaalsContact O-N 3.14Å
4	I	43.5	Very low	38.1	Very low	143 Å²	143	142.6 Å²	142.6	73%	0.733	82%	0.818	S	S	*	*			trans	-73.8	96.5	169.1	-64.7	169.3	0	0	0	106.9	V2 S6	V2-I4 PolarHBondContact O-N 2.95Å; I4-S6 PolarHBondContact O-N 2.6Å
5	G	34	Very low	38.3	Very low	81 Å²	81	140 Å²	140	84%	0.835	82%	0.821	S	S	*	*			trans	-82.3	91.1	163.8	0	0	0	0	0	109.2	C3	C3-G5 PolarHBondContact O-N 2.89Å; C3-G5 VanDerWaalsContact O-N 3.14Å
6	S	46	Very low	38.3	Very low	84 Å²	84	137.8 Å²	137.8	59%	0.587	82%	0.823	S	S	*	*			trans	-113.2	103.3	170.9	47.1	0	0	0	0	109.9	I4	I4-S6 PolarHBondContact O-N 2.6Å
7	L	34.4	Very low	38.1	Very low	160 Å²	160	135.6 Å²	135.6	84%	0.838	82%	0.824	S	S	*	*			trans	30.9	95.3	132.8	-74.3	146.4	0	0	0	115.9
8	L	36.7	Very low	38.3	Very low	165 Å²	165	135 Å²	135	86%	0.864	83%	0.827	S	S	*	*			trans	-123.4	99.3	145.8	-108	98.2	0	0	0	109.7	A10	L8-A10 PolarHBondContact O-N 2.89Å
9	R	35.3	Very low	38.4	Very low	228 Å²	228	133.7 Å²	133.7	86%	0.86	83%	0.831	S	S	*	*			trans	-65.1	118.2	150.1	-80.1	178.1	168.7	-137.9	-2.5	106.9
10	A	39.7	Very low	38.4	Very low	79 Å²	79	130.7 Å²	130.7	65%	0.653	83%	0.827	S	S	*	*			trans	-118	116.4	162.2	0	0	0	0	0	108.3	L8 V12	L8-A10 PolarHBondContact O-N 2.89Å; A10-V12 PolarHBondContact O-N 3.04Å
11	L	37	Very low	38.4	Very low	150 Å²	150	134.7 Å²	134.7	79%	0.785	83%	0.826	S	S	*	*			trans	-56.9	125.3	168.5	-85.6	84.4	0	0	0	109.4	L13	L11-L13 HydrophobicContact CD2-CD1 3.95Å
12	V	37.6	Very low	38.4	Very low	145 Å²	145	131.9 Å²	131.9	88%	0.879	80%	0.803	S	S	*	*			trans	-99.6	101.9	157.9	179	0	0	0	0	106.9	A10	A10-V12 PolarHBondContact O-N 3.04Å
13	L	38.6	Very low	38.6	Very low	143 Å²	143	136.2 Å²	136.2	75%	0.749	80%	0.804	S	S	*	*			trans	-93	125.4	167	-97.5	154.6	0	0	0	108.4	L11	L11-L13 HydrophobicContact CD2-CD1 3.95Å
14	S	36	Very low	38.3	Very low	114 Å²	114	133.6 Å²	133.6	80%	0.797	80%	0.799	S	S	*	*			trans	-62	136.1	174.5	63.3	0	0	0	0	111.8
15	A	39.9	Very low	37.8	Very low	104 Å²	104	132.6 Å²	132.6	86%	0.86	80%	0.802	S	S	*	*			trans	-130.2	115.9	157	0	0	0	0	0	109
16	A	39.6	Very low	37.8	Very low	104 Å²	104	140.6 Å²	140.6	86%	0.86	81%	0.807	S	S	*	*			trans	-76.5	160.1	179.3	0	0	0	0	0	112.5
17	A	34.5	Very low	36.8	Very low	102 Å²	102	144 Å²	144	84%	0.843	82%	0.817	S	S	*	*			trans	-50.6	148.2	-172.9	0	0	0	0	0	117.9
18	S	40.8	Very low	36.6	Very low	124 Å²	124	144.8 Å²	144.8	87%	0.867	82%	0.821	S	S	*	*				-159	145.8	124.9	76.9	0	0	0	0	111.9
19	A	40.8	Very low	36.1	Very low	110 Å²	110	143 Å²	143	91%	0.909	82%	0.821	S	S	*	*			trans	-77.8	160.9	-163	0	0	0	0	0	115.9
20	G	38.6	Very low	35.7	Very low	73 Å²	73	135.7 Å²	135.7	75%	0.753	82%	0.817	S	S	*	*			trans	167.1	66	162.6	0	0	0	0	0	120.4
21	R	39.3	Very low	35.4	Very low	215 Å²	215	141.5 Å²	141.5	81%	0.811	83%	0.83	S	S	*	*			trans	41.4	119.5	143.4	-76.5	-177.7	-176.3	-147.7	-0.8	121.6
22	R	39.9	Very low	34.8	Very low	184 Å²	184	143.7 Å²	143.7	69%	0.694	84%	0.836	S	S	*	*				114.9	122.3	116.4	-85.8	-179.7	-175.3	-155.1	1.8	119.7
23	R	39.4	Very low	34.6	Very low	223 Å²	223	141.4 Å²	141.4	84%	0.842	83%	0.833	S	S	*	*			trans	85.4	106.1	144	-70.8	179.3	173.9	-177.7	-3.2	118.8
24	G	32.7	Very low	34.1	Very low	74 Å²	74	141.9 Å²	141.9	76%	0.763	84%	0.836	S	S	*	*			trans	-78.2	-152.2	156.5	0	0	0	0	0	112
25	P	33.9	Very low	33.9	Very low	123 Å²	123	142.1 Å²	142.1	80%	0.799	83%	0.832	S	S	*	*			cis	-132	173.7	-6.3	39.4	-22.9	0	0	0	113.5
26	R	32.5	Very low	33.2	Very low	249 Å²	249	148.3 Å²	148.3	94%	0.94	83%	0.833	S	S	*	*			trans	178.4	129.6	133.8	-101.4	171.9	177.6	-174.5	-0.9	112.7
27	I	25.4	Very low	32.8	Very low	156 Å²	156	149.4 Å²	149.4	80%	0.8	83%	0.829	S	S	*	*			trans	-79	147.1	170.7	-64.4	166.4	0	0	0	108.8
28	L	30.8	Very low	32.7	Very low	175 Å²	175	150.7 Å²	150.7	92%	0.916	83%	0.826	S	S	*	*			trans	-165.9	136.2	141.3	-99.2	163.8	0	0	0	111
29	C	26.1	Very low	32.3	Very low	128 Å²	128	150.5 Å²	150.5	87%	0.865	82%	0.823	S	S	*	*			trans	-66.4	164.2	-173.7	-60.9	0	0	0	0	115.6
30	G	27.3	Very low	32	Very low	75 Å²	75	157.3 Å²	157.3	77%	0.773	83%	0.825	S	S	*	*			trans	168.3	95.6	156	0	0	0	0	0	117.4
31	H	31.7	Very low	31.7	Very low	200 Å²	200	163.2 Å²	163.2	93%	0.926	83%	0.832	S	S	*	*			trans	55.1	127.5	147.5	-78.1	-6.7	0	0	0	124.6
32	E	26.2	Very low	31.5	Very low	197 Å²	197	156.5 Å²	156.5	92%	0.921	83%	0.83	S	S	*	*			trans	-62.3	144.6	159.8	-70.5	172.2	120.9	0	0	112.7
33	A	33.1	Very low	31.3	Very low	97 Å²	97	157.2 Å²	157.2	80%	0.802	84%	0.841	S	S	*	*			trans	-141.6	116.3	154.4	0	0	0	0	0	108.9
34	D	27	Very low	30.9	Very low	152 Å²	152	149.8 Å²	149.8	81%	0.813	83%	0.834	S	S	*	*			trans	-79.3	128	-178.6	-154.8	3.7	0	0	0	109.7
35	V	31.6	Very low	30.7	Very low	119 Å²	119	158.5 Å²	158.5	72%	0.721	84%	0.844	S	S	*	*			trans	-128.7	106.4	175.5	179.8	0	0	0	0	109.6	V37	V35-V37 HydrophobicContact CG1-CG2 4.16Å
36	R	25.9	Very low	30.7	Very low	235 Å²	235	164 Å²	164	89%	0.887	85%	0.849	S	S	*	*			trans	-78.1	130.8	166.7	-73.6	-177.6	-175.5	-167.6	0.2	110.4
37	V	32.2	Very low	30.5	Very low	127 Å²	127	155.3 Å²	155.3	77%	0.77	84%	0.836	S	S	*	*			trans	-128.4	128.8	163	-178.1	0	0	0	0	109.3	V35	V35-V37 HydrophobicContact CG1-CG2 4.16Å
38	T	30.7	Very low	30.7	Very low	128 Å²	128	158.5 Å²	158.5	79%	0.785	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-93.8	140.1	174.9	44.6	0	0	0	0	110.4
39	P	34.3	Very low	30.6	Very low	121 Å²	121	161.2 Å²	161.2	79%	0.786	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-97.2	136.5	179.4	33.4	-28.5	0	0	0	113
40	R	33.1	Very low	30.9	Very low	253 Å²	253	159.8 Å²	159.8	96%	0.955	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-90.9	143.9	167.3	-82.3	-171.1	173.4	-168.3	-0.7	111.2
41	H	32.7	Very low	31.2	Very low	196 Å²	196	162.2 Å²	162.2	91%	0.907	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-73.1	150.9	-177.5	-73.4	42.9	0	0	0	114
42	G	36	Very low	31	Very low	75 Å²	75	159.3 Å²	159.3	77%	0.773	84%	0.836	S	S	*	*			trans	-164.5	136.2	166.9	0	0	0	0	0	112.2
43	H	34.6	Very low	31.3	Very low	198 Å²	198	153.8 Å²	153.8	92%	0.917	83%	0.832	S	S	*	*			trans	-84.6	156.3	-161.4	-75.2	-89	0	0	0	117.8
44	G	30.2	Very low	31.1	Very low	67 Å²	67	159.2 Å²	159.2	69%	0.691	83%	0.832	S	S	*	*			trans	86.3	136.5	150.9	0	0	0	0	0	115.2
45	W	30.2	Very low	31.3	Very low	257 Å²	257	161.2 Å²	161.2	97%	0.973	84%	0.839	S	S	*	*				-169	174.1	65	-92.7	61.4	0	0	0	111.5
46	R	32.6	Very low	31.2	Very low	240 Å²	240	162.2 Å²	162.2	91%	0.906	84%	0.837	S	S	*	*			trans	-76.8	139.2	-162.9	-62.6	168.2	178.3	-103.4	-0.5	116.7
47	G	28	Very low	31.6	Very low	65 Å²	65	159.7 Å²	159.7	67%	0.67	84%	0.84	S	S	*	*				59.7	126	123.6	0	0	0	0	0	122.4
48	F	31.3	Very low	31.6	Very low	224 Å²	224	160.4 Å²	160.4	98%	0.982	84%	0.84	S	S	*	*			trans	-155	145.2	138.2	-98.4	-77.8	0	0	0	111.1
49	R	27.1	Very low	31.7	Very low	232 Å²	232	159.2 Å²	159.2	88%	0.875	84%	0.837	S	S	*	*			trans	-120.7	137.3	-177.2	-170.3	-173.9	-168.8	-165.3	4.5	108.4
50	A	32.2	Very low	31.9	Very low	97 Å²	97	159.1 Å²	159.1	80%	0.802	84%	0.839	S	S	*	*			trans	-138.9	107.2	161.7	0	0	0	0	0	105.8
51	V	34.4	Very low	31.8	Very low	126 Å²	126	154.8 Å²	154.8	76%	0.764	84%	0.835	S	S	*	*				62.8	121.3	75.9	-170.4	0	0	0	0	113.7
52	T	27.9	Very low	32	Very low	139 Å²	139	152 Å²	152	85%	0.853	84%	0.836	S	S	*	*			trans	-75.7	157	-167.4	44.7	0	0	0	0	115.8
53	G	32	Very low	31.8	Very low	82 Å²	82	153.2 Å²	153.2	85%	0.845	84%	0.839	S	S	*	*			trans	-148.9	120.3	158.6	0	0	0	0	0	111
54	R	28.6	Very low	32.2	Very low	210 Å²	210	149.9 Å²	149.9	79%	0.792	84%	0.837	S	S	*	*			trans	-103.2	137.9	-179.9	-171.9	-177.1	-169.6	-170.9	5.1	108.6
55	M	31.6	Very low	32.4	Very low	194 Å²	194	151.3 Å²	151.3	96%	0.956	84%	0.843	S	S	*	*			trans	-130	116.7	161.3	-106.4	177.3	165.6	0	0	108.6
56	M	28.6	Very low	32.7	Very low	141 Å²	141	143.9 Å²	143.9	70%	0.695	84%	0.837	S	S	*	*			trans	-81.6	152.1	159.5	-76.2	-179	161	0	0	108.4
57	L	36	Very low	32.8	Very low	181 Å²	181	137.4 Å²	137.4	95%	0.948	83%	0.834	S	S	*	*			trans	-165.1	151.9	134.6	-99.4	165.4	0	0	0	110.4
58	D	32.1	Very low	33.1	Very low	142 Å²	142	139.2 Å²	139.2	76%	0.759	84%	0.843	S	S	*	*			trans	-86.7	150.9	-154.6	-106.7	-45.3	0	0	0	116.3
59	S	31.8	Very low	33.4	Very low	103 Å²	103	133.3 Å²	133.3	72%	0.72	84%	0.836	S	S	*	*				40.8	125.1	125.8	-51.7	0	0	0	0	122.3
60	S	39.1	Very low	33.6	Very low	120 Å²	120	131.5 Å²	131.5	84%	0.839	84%	0.837	S	S	*	*			trans	-169.1	128.4	130.3	59.3	0	0	0	0	112.8
61	D	31.3	Very low	33.9	Very low	161 Å²	161	133 Å²	133	86%	0.861	84%	0.836	S	S	*	*			trans	-63.6	156.8	177.3	-62.2	-58.6	0	0	0	115.2
62	C	36.3	Very low	33.8	Very low	138 Å²	138	131.1 Å²	131.1	93%	0.932	84%	0.842	S	S	*	*			trans	-160.1	117.1	137.8	-118.6	0	0	0	0	111.3
63	A	32.9	Very low	34.1	Very low	101 Å²	101	133 Å²	133	84%	0.835	84%	0.841	S	S	*	*			trans	-78.9	148.4	174.3	0	0	0	0	0	111.9
64	S	42.9	Very low	34.2	Very low	127 Å²	127	135.8 Å²	135.8	89%	0.888	84%	0.842	S	S	*	*			trans	-154.5	146.2	143.3	69.3	0	0	0	0	110.7
65	A	33.6	Very low	34.4	Very low	98 Å²	98	134.3 Å²	134.3	81%	0.81	84%	0.844	S	S	*	*			trans	-109.4	172.4	-158.7	0	0	0	0	0	113.2
66	A	35.9	Very low	34.7	Very low	101 Å²	101	129.1 Å²	129.1	84%	0.835	83%	0.825	S	S	*	*			trans	83.8	116.2	153.4	0	0	0	0	0	118.2
67	A	36.2	Very low	34.9	Very low	104 Å²	104	131.7 Å²	131.7	86%	0.86	84%	0.835	S	S	*	*				-176.4	140.7	91.2	0	0	0	0	0	110.8
68	A	33.7	Very low	34.8	Very low	103 Å²	103	131.8 Å²	131.8	85%	0.851	82%	0.823	S	S	*	*			trans	-77.7	149.1	-176.9	0	0	0	0	0	113.1
69	A	36.9	Very low	34.9	Very low	100 Å²	100	133.8 Å²	133.8	83%	0.826	82%	0.82	S	S	*	*			trans	-146.1	116.2	152.7	0	0	0	0	0	108.8
70	E	31.5	Very low	35	Very low	194 Å²	194	133.8 Å²	133.8	91%	0.907	83%	0.825	S	S	*	*			trans	-73	124.8	173.4	-67.8	173	141.9	0	0	110.1
71	T	39.3	Very low	35	Very low	128 Å²	128	133.2 Å²	133.2	79%	0.785	82%	0.817	S	S	*	*			trans	-138.6	123.6	155	47.2	0	0	0	0	108.8	Q73	T71-Q73 PolarHBondContact O-N 3.18Å
72	G	31.6	Very low	35.2	Very low	86 Å²	86	128.8 Å²	128.8	89%	0.887	81%	0.809	S	S	*	*			trans	-65.1	124.6	-179.4	0	0	0	0	0	111.2
73	Q	33.9	Very low	35.2	Very low	179 Å²	179	126.9 Å²	126.9	84%	0.836	80%	0.803	S	S	*	*			trans	-120.9	121	166.2	-79.5	-175.2	-25	0	0	109.1	T71 Q75	T71-Q73 PolarHBondContact O-N 3.18Å; Q73-Q75 PolarHBondContact O-N 2.74Å
74	V	35.1	Very low	35.7	Very low	141 Å²	141	126.9 Å²	126.9	86%	0.855	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-57.6	119.9	172.1	176.1	0	0	0	0	107.9	P76	V74-P76 WeakPolarHBondContact O-CD 3.42Å
75	Q	31.3	Very low	35.7	Very low	178 Å²	178	123.5 Å²	123.5	83%	0.832	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-71.9	122.7	174.2	-74.2	178.3	4.5	0	0	109.1	Q73 Q77	Q73-Q75 PolarHBondContact O-N 2.74Å; Q75-Q77 PolarHBondContact O-N 2.84Å
76	P	37.9	Very low	36.2	Very low	86 Å²	86	126 Å²	126	56%	0.558	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-66.7	131.9	169.7	26.2	-29.7	0	0	0	108.6	V74 R78	V74-P76 WeakPolarHBondContact O-CD 3.42Å; P76-R78 PolarHBondContact O-N 2.82Å
77	Q	32.9	Very low	36.7	Very low	194 Å²	194	124.4 Å²	124.4	91%	0.907	75%	0.754	S	S	*	*			trans	-63.5	96.1	173.2	-76.7	-172.5	-17.2	0	0	109.2	Q75 R79	Q75-Q77 PolarHBondContact O-N 2.84Å; Q77-R79 PolarHBondContact O-N 2.96Å; Q77-R79 VanDerWaalsContact O-N 3.12Å
78	R	34.8	Very low	37.4	Very low	183 Å²	183	127.7 Å²	127.7	69%	0.691	75%	0.751	S	S	*	*			trans	-69.3	101.8	173.4	-73.3	-179.8	167.4	-150.7	-9.4	109.7	P76	P76-R78 PolarHBondContact O-N 2.82Å
79	R	33.5	Very low	38.7	Very low	185 Å²	185	127.3 Å²	127.3	70%	0.698	73%	0.734	S	S	*	*			trans	-89.5	91.9	155.2	-98	-177.8	165	-166.1	-3.2	108.1	Q77 V81 E100	Q77-R79 PolarHBondContact O-N 2.96Å; Q77-R79 VanDerWaalsContact O-N 3.12Å; R79-V81 PolarHBondContact O-N 3.08Å; R79-V81 VanDerWaalsContact O-N 3.11Å; R79-E100 IonicContact NH1-OE1 3.65Å; R79-E100 PolarHBondContact NH1-OE1 3.27Å; R79-E100 VanDerWaalsContact NH1-OE1 3.13Å
80	A	33.8	Very low	40.3	Very low	102 Å²	102	125.6 Å²	125.6	84%	0.843	73%	0.726	S	S	*	*			trans	-69.8	100.9	162.6	0	0	0	0	0	107.5	G82	A80-G82 PolarHBondContact O-N 2.87Å
81	V	39.5	Very low	42.9	Very low	109 Å²	109	118.8 Å²	118.8	66%	0.661	71%	0.708	S	S	*	*			trans	-81.4	112.1	171.6	-179	0	0	0	0	108.1	R79	R79-V81 PolarHBondContact O-N 3.08Å; R79-V81 VanDerWaalsContact O-N 3.11Å
82	G	35.2	Very low	45.5	Very low	68 Å²	68	113.6 Å²	113.6	70%	0.701	68%	0.675	S	S	*	*			trans	83.4	103.7	144.2	0	0	0	0	0	116.8	A80	A80-G82 PolarHBondContact O-N 2.87Å
83	A	36.8	Very low	48.5	Very low	97 Å²	97	110.6 Å²	110.6	80%	0.802	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-52.7	144.7	168	0	0	0	0	0	113.3
84	V	43.7	Very low	51.4	Low	101 Å²	101	103.3 Å²	103.3	61%	0.612	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-49.2	123.5	171.3	-177.3	0	0	0	0	110.2	L86	V84-L86 PolarHBondContact O-N 3.5Å
85	P	42.3	Very low	54.3	Low	57 Å²	57	96.9 Å²	96.9	37%	0.37	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-62.4	125.3	170.4	-19.5	32.2	0	0	0	109.9	A87 Y108	P85-A87 PolarHBondContact O-N 3.32Å; P85-Y108 WeakPolarHBondContact CD-OH 3.42Å
86	L	44.6	Very low	57.3	Low	150 Å²	150	90.3 Å²	90.3	79%	0.785	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-54.4	133.1	167.5	-79.2	153.6	0	0	0	109.2	V84 H88	V84-L86 PolarHBondContact O-N 3.5Å; L86-H88 WeakPolarHBondContact O-CB 3.2Å; L86-H88 PolarHBondContact O-N 3.43Å
87	A	46.3	Very low	59.9	Low	68 Å²	68	88.8 Å²	88.8	56%	0.562	54%	0.535	S	S	*	.			trans	-44.9	109.1	-178.4	0	0	0	0	0	112.1	P85	P85-A87 PolarHBondContact O-N 3.32Å
88	H	50	Low	62.8	Low	173 Å²	173	86 Å²	86	80%	0.801	52%	0.522	S	S	*	.			trans	-136.8	34.2	-172.8	-104.9	-66.3	0	0	0	113.7	L86	L86-H88 WeakPolarHBondContact O-CB 3.2Å; L86-H88 PolarHBondContact O-N 3.43Å
89	D	61.4	Low	65.5	Low	94 Å²	94	79 Å²	79	50%	0.503	50%	0.496	S	S	.	.	B	Isolated β-bridge	trans	-162.9	120	157.1	-173.5	15.8	0	0	0	110.6	G91 Y92 R329	D89-G91 PolarHBondContact O-N 2.7Å; D89-Y92 WeakPolarHBondContact O-CB 3.39Å; D89-Y92 WeakPolarHBondContact O-CD2 3.33Å; D89-Y92 PolarHBondContact O-N 3.36Å; D89-R329 IonicContact OD2-CZ 3.77Å; D89-R329 IonicContact OD2-NE 3.78Å; D89-R329 IonicContact OD2-NH2 3.24Å; D89-R329 PolarHBondContact OD2-NH2 2.87Å
90	G	70.4	Confident	68.1	Low	64 Å²	64	78.3 Å²	78.3	66%	0.66	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	9.3	170.6	0	0	0	0	0	118
91	G	87.4	Confident	70.6	Confident	51 Å²	51	77.1 Å²	77.1	53%	0.526	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	5.1	-172.1	0	0	0	0	0	114.9	D89 F111	D89-G91 PolarHBondContact O-N 2.7Å; G91-F111 WeakPolarHBondContact O-CD2 3.22Å
92	Y	92.9	Very high	73.1	Confident	20 Å²	20	73.3 Å²	73.3	8%	0.078	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	140.8	172.9	-64.6	-102.4	0	0	0	110.4	D89 S110 F111 R329 T332 E333	D89-Y92 WeakPolarHBondContact O-CB 3.39Å; D89-Y92 WeakPolarHBondContact O-CD2 3.33Å; D89-Y92 PolarHBondContact O-N 3.36Å; Y92-S110 WeakPolarHBondContact CA-O 3.47Å; Y92-F111 HydrophobicContact CD1-CB 3.57Å; Y92-F111 AromaticContact CD1-CD2 3.95Å; Y92-F111 HydrophobicContact CD1-CD2 3.95Å; Y92-F111 AromaticContact CD1-CG 3.79Å; Y92-F111 HydrophobicContact CD1-CG 3.79Å; Y92-F111 AromaticContact CD2-CD2 3.81Å; Y92-F111 HydrophobicContact CD2-CD2 3.81Å; Y92-F111 HydrophobicContact CD2-CE2 4.02Å; Y92-F111 HydrophobicContact CD2-CG 4.38Å; Y92-F111 HydrophobicContact CE1-CB 3.57Å; Y92-F111 AromaticContact CE1-CD1 3.8Å; Y92-F111 HydrophobicContact CE1-CD1 3.8Å; Y92-F111 AromaticContact CE1-CD2 3.93Å; Y92-F111 HydrophobicContact CE1-CD2 3.93Å; Y92-F111 HydrophobicContact CE1-CE1 4.45Å; Y92-F111 AromaticContact CE1-CG 3.5Å; Y92-F111 HydrophobicContact CE1-CG 3.5Å; Y92-F111 VanDerWaalsContact CE1-CG 3.5Å; Y92-F111 HydrophobicContact CE2-CD1 4.38Å; Y92-F111 AromaticContact CE2-CD2 3.78Å; Y92-F111 HydrophobicContact CE2-CD2 3.78Å; Y92-F111 HydrophobicContact CE2-CE1 4.31Å; Y92-F111 AromaticContact CE2-CE2 3.75Å; Y92-F111 HydrophobicContact CE2-CE2 3.75Å; Y92-F111 HydrophobicContact CE2-CG 4.13Å; Y92-F111 HydrophobicContact CE2-CZ 4.02Å; Y92-F111 HydrophobicContact CG-CB 4.27Å; Y92-F111 AromaticContact CG-CD2 3.88Å; Y92-F111 HydrophobicContact CG-CD2 3.88Å; Y92-F111 HydrophobicContact CG-CG 4.21Å; Y92-F111 AromaticContact CZ-CD1 3.7Å; Y92-F111 AromaticContact CZ-CD2 3.84Å; Y92-F111 AromaticContact CZ-CE1 3.89Å; Y92-F111 AromaticContact CZ-CG 3.68Å; Y92-R329 VanDerWaalsContact CD2-CZ 3.49Å; Y92-T332 WeakPolarHBondContact CE1-OG1 3.38Å; Y92-E333 HydrophobicContact CE1-CG 4.18Å
93	A	95.1	Very high	75.8	Confident	22 Å²	22	75 Å²	75	18%	0.182	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	107.4	162.1	0	0	0	0	0	107.6	S109 S110	A93-S109 CarbonylContact O-C 3.44Å; A93-S109 WeakPolarHBondContact O-CA 3.41Å; A93-S110 PolarHBondContact N-O 3.42Å; A93-S110 PolarHBondContact O-N 3.45Å
94	S	95.2	Very high	78.6	Confident	26 Å²	26	70.5 Å²	70.5	18%	0.182	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	160.3	178.9	69.3	0	0	0	0	111.5	Y108 E325	S94-Y108 WeakPolarHBondContact CA-O 3.07Å; S94-Y108 WeakPolarHBondContact CB-O 3.38Å; S94-E325 PolarHBondContact OG-OE1 3.3Å
95	G	95.4	Very high	81.1	Confident	6 Å²	6	66 Å²	66	6%	0.062	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.3	169.6	172.4	0	0	0	0	0	110.4	G107 Y108 E325	G95-G107 CarbonylContact O-C 3.56Å; G95-G107 VanDerWaalsContact O-CA 3.28Å; G95-G107 WeakPolarHBondContact O-CA 3.48Å; G95-Y108 PolarHBondContact N-O 3.02Å; G95-Y108 WeakPolarHBondContact O-CD1 3.47Å; G95-Y108 PolarHBondContact O-N 3.31Å; G95-E325 VanDerWaalsContact CA-CD 3.48Å; G95-E325 PolarHBondContact N-OE1 3.44Å
96	G	94.2	Very high	83.8	Confident	40 Å²	40	63.3 Å²	63.3	41%	0.412	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	167.6	175.9	0	0	0	0	0	112.2	C106 E325	G96-C106 CarbonylContact C-O 3.44Å; G96-C106 WeakPolarHBondContact CA-O 3.32Å; G96-E325 PolarHBondContact N-OE2 3.12Å
97	W	93.4	Very high	86.3	Confident	55 Å²	55	56.1 Å²	56.1	21%	0.208	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	162	177.3	56.1	-99.4	0	0	0	110.6	R99 L104 S105 C106 V124 L126 F137	W97-R99 HydrophobicContact CZ3-CB 4Å; W97-L104 HydrophobicContact CH2-CD2 3.98Å; W97-L104 HydrophobicContact CH2-CG 4.46Å; W97-L104 HydrophobicContact CZ3-CD2 4.39Å; W97-S105 CarbonylContact O-C 3.57Å; W97-S105 WeakPolarHBondContact O-CA 3.41Å; W97-S105 WeakPolarHBondContact O-CB 3.16Å; W97-C106 HydrophobicContact CD2-CB 3.97Å; W97-C106 VanDerWaalsContact CE2-CB 3.45Å; W97-C106 HydrophobicContact CE3-CB 4.39Å; W97-C106 HydrophobicContact CH2-CB 3.93Å; W97-C106 HydrophobicContact CZ2-CB 3.5Å; W97-C106 VanDerWaalsContact CZ2-CB 3.5Å; W97-C106 HydrophobicContact CZ3-CB 4.33Å; W97-C106 PolarHBondContact N-O 3.28Å; W97-C106 PolarHBondContact O-N 2.86Å; W97-V124 HydrophobicContact CZ2-CG1 3.63Å; W97-V124 VanDerWaalsContact NE1-CG1 3.33Å; W97-L126 HydrophobicContact CD2-CD1 4.15Å; W97-L126 HydrophobicContact CD2-CD2 4.36Å; W97-L126 HydrophobicContact CE3-CD1 4.49Å; W97-L126 HydrophobicContact CE3-CD2 3.87Å; W97-L126 HydrophobicContact CH2-CD1 3.99Å; W97-L126 HydrophobicContact CH2-CD2 3.22Å; W97-L126 HydrophobicContact CH2-CG 3.67Å; W97-L126 HydrophobicContact CZ2-CD1 3.52Å; W97-L126 HydrophobicContact CZ2-CD2 3.71Å; W97-L126 HydrophobicContact CZ2-CG 3.66Å; W97-L126 HydrophobicContact CZ3-CD1 4.47Å; W97-L126 HydrophobicContact CZ3-CD2 3.34Å; W97-L126 HydrophobicContact CZ3-CG 4.24Å; W97-F137 HydrophobicContact CH2-CE1 4.05Å; W97-F137 HydrophobicContact CH2-CZ 4.06Å; W97-F137 AromaticContact CZ2-CE1 3.62Å; W97-F137 HydrophobicContact CZ2-CE1 3.62Å; W97-F137 HydrophobicContact CZ2-CZ 4.08Å
98	E	93.3	Very high	88.8	Confident	134 Å²	134	54.1 Å²	54.1	63%	0.626	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.2	171.3	-173.1	177.1	167.3	0	0	108.1
99	R	90.2	Very high	91.1	Very high	36 Å²	36	45.9 Å²	45.9	14%	0.136	27%	0.271	C	S	.	.			trans	-69.6	145.2	179.5	-163.1	163.2	68.6	179.8	9.7	109	W97 D101 G102 L104 L126	W97-R99 HydrophobicContact CZ3-CB 4Å; R99-D101 WeakPolarHBondContact CB-OD1 3.07Å; R99-D101 WeakPolarHBondContact CG-OD1 3.34Å; R99-D101 IonicContact CZ-OD1 2.86Å; R99-D101 IonicContact CZ-OD2 2.86Å; R99-D101 VanDerWaalsContact CZ-OD2 3.32Å; R99-D101 VanDerWaalsContact NE-CG 3.3Å; R99-D101 IonicContact NE-OD1 2.76Å; R99-D101 PolarHBondContact NE-OD1 3.36Å; R99-D101 IonicContact NE-OD2 2.74Å; R99-D101 PolarHBondContact NE-OD2 3.25Å; R99-D101 IonicContact NH2-OD1 2.69Å; R99-D101 PolarHBondContact NH2-OD1 3.31Å; R99-D101 IonicContact NH2-OD2 3.65Å; R99-D101 PolarHBondContact NH2-OD2 3.15Å; R99-D101 PolarHBondContact O-N 3.25Å; R99-G102 PolarHBondContact O-N 3.09Å; R99-L104 HydrophobicContact CB-CB 4.14Å; R99-L104 WeakPolarHBondContact CB-O 3.16Å; R99-L104 PolarHBondContact N-O 2.82Å; R99-L126 HydrophobicContact CG-CD2 4.17Å
100	E	88.2	Confident	92.9	Very high	172 Å²	172	41.9 Å²	41.9	80%	0.804	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.3	-176.7	-66.9	-175.6	175.9	0	0	113.6	R79 G102	R79-E100 IonicContact NH1-OE1 3.65Å; R79-E100 PolarHBondContact NH1-OE1 3.27Å; R79-E100 VanDerWaalsContact NH1-OE1 3.13Å; E100-G102 VanDerWaalsContact C-N 3.32Å
101	D	87.9	Confident	94.2	Very high	77 Å²	77	39.9 Å²	39.9	41%	0.412	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-2.7	177	73.2	-11.4	0	0	0	114.4	R99 K103	R99-D101 WeakPolarHBondContact CB-OD1 3.07Å; R99-D101 WeakPolarHBondContact CG-OD1 3.34Å; R99-D101 IonicContact CZ-OD1 2.86Å; R99-D101 IonicContact CZ-OD2 2.86Å; R99-D101 VanDerWaalsContact CZ-OD2 3.32Å; R99-D101 VanDerWaalsContact NE-CG 3.3Å; R99-D101 IonicContact NE-OD1 2.76Å; R99-D101 PolarHBondContact NE-OD1 3.36Å; R99-D101 IonicContact NE-OD2 2.74Å; R99-D101 PolarHBondContact NE-OD2 3.25Å; R99-D101 IonicContact NH2-OD1 2.69Å; R99-D101 PolarHBondContact NH2-OD1 3.31Å; R99-D101 IonicContact NH2-OD2 3.65Å; R99-D101 PolarHBondContact NH2-OD2 3.15Å; R99-D101 PolarHBondContact O-N 3.25Å; D101-K103 PolarHBondContact O-N 2.72Å; D101-K103 PolarHBondContact OD1-N 3Å
102	G	90.7	Very high	94.7	Very high	28 Å²	28	43.6 Å²	43.6	29%	0.289	22%	0.222	S	C	.	.	S	Bend	trans	69	5	-180	0	0	0	0	0	115.1	R99 E100 H352	R99-G102 PolarHBondContact O-N 3.09Å; E100-G102 VanDerWaalsContact C-N 3.32Å; G102-H352 WeakPolarHBondContact O-CB 3.35Å; G102-H352 PolarHBondContact O-CD2 3.15Å
103	K	92.2	Very high	94.8	Very high	105 Å²	105	43.2 Å²	43.2	46%	0.457	22%	0.223	S	C	.	.	S	Bend	trans	-87.8	-13.4	-175.3	-66.4	-174.2	178.7	-178.6	0	114	D101 H352	D101-K103 PolarHBondContact O-N 2.72Å; D101-K103 PolarHBondContact OD1-N 3Å; K103-H352 PolarHBondContact O-N 3.3Å
104	L	95.2	Very high	94.8	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	130.8	-172.9	-164	73.5	0	0	0	110	W97 R99 F137 L205 V349 Q350 F351	W97-L104 HydrophobicContact CH2-CD2 3.98Å; W97-L104 HydrophobicContact CH2-CG 4.46Å; W97-L104 HydrophobicContact CZ3-CD2 4.39Å; R99-L104 HydrophobicContact CB-CB 4.14Å; R99-L104 WeakPolarHBondContact CB-O 3.16Å; R99-L104 PolarHBondContact N-O 2.82Å; L104-F137 HydrophobicContact CD2-CZ 3.97Å; L104-L205 HydrophobicContact CD1-CD2 4.13Å; L104-L205 HydrophobicContact CD2-CD2 3.96Å; L104-V349 HydrophobicContact CD1-CG1 3.41Å; L104-V349 VanDerWaalsContact CD1-CG1 3.41Å; L104-V349 HydrophobicContact CG-CG1 3.98Å; L104-Q350 WeakPolarHBondContact CA-O 3.2Å; L104-F351 HydrophobicContact CD1-CD1 3.6Å; L104-F351 HydrophobicContact CD1-CE1 3.77Å; L104-F351 HydrophobicContact CD1-CG 4.48Å
105	S	97	Very high	94.9	Very high	7 Å²	7	50.8 Å²	50.8	5%	0.049	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150.7	166.5	55.6	0	0	0	0	110.1	W97 V349 Q350 H352	W97-S105 CarbonylContact O-C 3.57Å; W97-S105 WeakPolarHBondContact O-CA 3.41Å; W97-S105 WeakPolarHBondContact O-CB 3.16Å; S105-V349 CarbonylContact O-C 3.53Å; S105-V349 WeakPolarHBondContact O-CA 3.49Å; S105-Q350 PolarHBondContact N-O 3.5Å; S105-Q350 PolarHBondContact O-N 2.72Å; S105-Q350 PolarHBondContact OG-OE1 3.41Å; S105-H352 PolarHBondContact OG-NE2 3.49Å
106	C	98.1	Very high	94.9	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	145.8	-178.3	178.9	0	0	0	0	110	G96 W97 F137 P324 I347 V348 V349	G96-C106 CarbonylContact C-O 3.44Å; G96-C106 WeakPolarHBondContact CA-O 3.32Å; W97-C106 HydrophobicContact CD2-CB 3.97Å; W97-C106 VanDerWaalsContact CE2-CB 3.45Å; W97-C106 HydrophobicContact CE3-CB 4.39Å; W97-C106 HydrophobicContact CH2-CB 3.93Å; W97-C106 HydrophobicContact CZ2-CB 3.5Å; W97-C106 VanDerWaalsContact CZ2-CB 3.5Å; W97-C106 HydrophobicContact CZ3-CB 4.33Å; W97-C106 PolarHBondContact N-O 3.28Å; W97-C106 PolarHBondContact O-N 2.86Å; C106-F137 HydrophobicContact CB-CE1 3.8Å; C106-F137 VanDerWaalsContact SG-CE1 3.56Å; C106-P324 VanDerWaalsContact C-CG 3.45Å; C106-I347 VanDerWaalsContact SG-CG2 3.6Å; C106-V348 CarbonylContact C-O 3.58Å; C106-V348 VanDerWaalsContact CA-O 3.32Å; C106-V348 WeakPolarHBondContact CA-O 3.41Å; C106-V349 HydrophobicContact CB-CG2 4.49Å
107	G	98.3	Very high	95	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	150.7	170.9	0	0	0	0	0	110.1	G95 I347 V348	G95-G107 CarbonylContact O-C 3.56Å; G95-G107 VanDerWaalsContact O-CA 3.28Å; G95-G107 WeakPolarHBondContact O-CA 3.48Å; G107-I347 CarbonylContact O-C 3.55Å; G107-I347 WeakPolarHBondContact O-CA 3.44Å; G107-V348 PolarHBondContact N-O 3.13Å; G107-V348 PolarHBondContact O-N 3Å
108	Y	98.5	Very high	95.2	Very high	25 Å²	25	56.7 Å²	56.7	10%	0.098	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	155.4	-178.9	56.5	-95.7	0	0	0	111	P85 S94 G95 Y122 C346	P85-Y108 WeakPolarHBondContact CD-OH 3.42Å; S94-Y108 WeakPolarHBondContact CA-O 3.07Å; S94-Y108 WeakPolarHBondContact CB-O 3.38Å; G95-Y108 PolarHBondContact N-O 3.02Å; G95-Y108 WeakPolarHBondContact O-CD1 3.47Å; G95-Y108 PolarHBondContact O-N 3.31Å; Y108-Y122 HydrophobicContact CD1-CE2 4.32Å; Y108-Y122 HydrophobicContact CD2-CD2 4.27Å; Y108-Y122 HydrophobicContact CD2-CE1 4.38Å; Y108-Y122 AromaticContact CD2-CE2 3.47Å; Y108-Y122 HydrophobicContact CD2-CE2 3.47Å; Y108-Y122 VanDerWaalsContact CD2-CE2 3.47Å; Y108-Y122 AromaticContact CD2-CZ 3.54Å; Y108-Y122 HydrophobicContact CE1-CE2 4.42Å; Y108-Y122 AromaticContact CE2-CE2 3.59Å; Y108-Y122 HydrophobicContact CE2-CE2 3.59Å; Y108-Y122 AromaticContact CE2-CZ 3.62Å; Y108-Y122 WeakPolarHBondContact CE2-OH 3.47Å; Y108-Y122 HydrophobicContact CG-CD2 4.29Å; Y108-Y122 AromaticContact CG-CE2 3.86Å; Y108-Y122 HydrophobicContact CG-CE2 3.86Å; Y108-C346 CarbonylContact C-O 3.56Å; Y108-C346 WeakPolarHBondContact CA-O 3.32Å
109	S	98.5	Very high	95.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	131.2	172.6	-179.2	0	0	0	0	108.5	A93 A328 T332 T345 C346	A93-S109 CarbonylContact O-C 3.44Å; A93-S109 WeakPolarHBondContact O-CA 3.41Å; S109-A328 VanDerWaalsContact CB-C 3.47Å; S109-A328 WeakPolarHBondContact CB-O 3.38Å; S109-T332 PolarHBondContact OG-OG1 2.95Å; S109-T345 WeakPolarHBondContact O-CA 3.32Å; S109-C346 PolarHBondContact N-O 3.44Å; S109-C346 PolarHBondContact O-N 3.18Å
110	S	98.4	Very high	95.9	Very high	10 Å²	10	50.3 Å²	50.3	7%	0.07	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.5	176.2	-173.1	0	0	0	0	109.9	Y92 A93 M118 I344 T345	Y92-S110 WeakPolarHBondContact CA-O 3.47Å; A93-S110 PolarHBondContact N-O 3.42Å; A93-S110 PolarHBondContact O-N 3.45Å; S110-M118 WeakPolarHBondContact OG-CE 3.2Å; S110-I344 CarbonylContact C-O 3.58Å; S110-I344 WeakPolarHBondContact CA-O 3.34Å; S110-T345 PolarHBondContact OG-OG1 3.36Å
111	F	97.9	Very high	96.4	Very high	22 Å²	22	43.7 Å²	43.7	10%	0.096	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	130.8	-173.3	-176.3	-129	0	0	0	111.3	G91 Y92 G113 Y336 I344	G91-F111 WeakPolarHBondContact O-CD2 3.22Å; Y92-F111 HydrophobicContact CD1-CB 3.57Å; Y92-F111 AromaticContact CD1-CD2 3.95Å; Y92-F111 HydrophobicContact CD1-CD2 3.95Å; Y92-F111 AromaticContact CD1-CG 3.79Å; Y92-F111 HydrophobicContact CD1-CG 3.79Å; Y92-F111 AromaticContact CD2-CD2 3.81Å; Y92-F111 HydrophobicContact CD2-CD2 3.81Å; Y92-F111 HydrophobicContact CD2-CE2 4.02Å; Y92-F111 HydrophobicContact CD2-CG 4.38Å; Y92-F111 HydrophobicContact CE1-CB 3.57Å; Y92-F111 AromaticContact CE1-CD1 3.8Å; Y92-F111 HydrophobicContact CE1-CD1 3.8Å; Y92-F111 AromaticContact CE1-CD2 3.93Å; Y92-F111 HydrophobicContact CE1-CD2 3.93Å; Y92-F111 HydrophobicContact CE1-CE1 4.45Å; Y92-F111 AromaticContact CE1-CG 3.5Å; Y92-F111 HydrophobicContact CE1-CG 3.5Å; Y92-F111 VanDerWaalsContact CE1-CG 3.5Å; Y92-F111 HydrophobicContact CE2-CD1 4.38Å; Y92-F111 AromaticContact CE2-CD2 3.78Å; Y92-F111 HydrophobicContact CE2-CD2 3.78Å; Y92-F111 HydrophobicContact CE2-CE1 4.31Å; Y92-F111 AromaticContact CE2-CE2 3.75Å; Y92-F111 HydrophobicContact CE2-CE2 3.75Å; Y92-F111 HydrophobicContact CE2-CG 4.13Å; Y92-F111 HydrophobicContact CE2-CZ 4.02Å; Y92-F111 HydrophobicContact CG-CB 4.27Å; Y92-F111 AromaticContact CG-CD2 3.88Å; Y92-F111 HydrophobicContact CG-CD2 3.88Å; Y92-F111 HydrophobicContact CG-CG 4.21Å; Y92-F111 AromaticContact CZ-CD1 3.7Å; Y92-F111 AromaticContact CZ-CD2 3.84Å; Y92-F111 AromaticContact CZ-CE1 3.89Å; Y92-F111 AromaticContact CZ-CG 3.68Å; F111-G113 PolarHBondContact O-N 2.78Å; F111-G113 VanDerWaalsContact O-N 3.16Å; F111-Y336 HydrophobicContact CD1-CD2 4.27Å; F111-Y336 HydrophobicContact CD1-CG 4.39Å; F111-Y336 HydrophobicContact CE1-CD1 4.19Å; F111-Y336 AromaticContact CE1-CD2 3.58Å; F111-Y336 HydrophobicContact CE1-CD2 3.58Å; F111-Y336 HydrophobicContact CE1-CE1 4.43Å; F111-Y336 AromaticContact CE1-CE2 3.84Å; F111-Y336 HydrophobicContact CE1-CE2 3.84Å; F111-Y336 AromaticContact CE1-CG 3.75Å; F111-Y336 HydrophobicContact CE1-CG 3.75Å; F111-Y336 HydrophobicContact CZ-CE2 4.48Å; F111-I344 PolarHBondContact N-O 3.18Å; F111-I344 PolarHBondContact O-N 3.43Å
112	R	97.5	Very high	96.9	Very high	130 Å²	130	41.6 Å²	41.6	49%	0.491	21%	0.213	S	C	.	.			trans	-61.7	-25.6	179.2	-167.6	-176.4	64.9	-166.8	-7.8	113.1	K114 R115 T117 M118 N343	R112-K114 PolarHBondContact O-N 3.49Å; R112-R115 PolarHBondContact NE-O 2.81Å; R112-R115 PolarHBondContact O-N 2.86Å; R112-T117 WeakPolarHBondContact CG-O 3.28Å; R112-M118 VanDerWaalsContact CA-SD 3.51Å; R112-M118 HydrophobicContact CB-CB 4.46Å; R112-M118 HydrophobicContact CB-SD 4.07Å; R112-M118 HydrophobicContact CG-CB 4.2Å; R112-N343 WeakPolarHBondContact CA-ND2 3.2Å; R112-N343 PolarHBondContact O-ND2 2.83Å
113	G	96	Very high	97.2	Very high	11 Å²	11	41.4 Å²	41.4	11%	0.113	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	-136.1	-177	0	0	0	0	0	111.9	F111	F111-G113 PolarHBondContact O-N 2.78Å; F111-G113 VanDerWaalsContact O-N 3.16Å
114	K	95.1	Very high	97.5	Very high	112 Å²	112	37.8 Å²	37.8	49%	0.487	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-2.5	-176.1	-58.8	-178	-172.2	138.6	0	113.8	R112 Y336 G339 S340	R112-K114 PolarHBondContact O-N 3.49Å; K114-Y336 HydrophobicContact CG-CE2 3.76Å; K114-G339 PolarHBondContact NZ-O 3.44Å; K114-S340 PolarHBondContact NZ-O 2.86Å; K114-S340 VanDerWaalsContact NZ-O 3.14Å
115	R	96.7	Very high	97.5	Very high	96 Å²	96	40.2 Å²	40.2	36%	0.362	20%	0.202	S	C	.	.	S	Bend	trans	-72.7	156.4	178.9	-61.9	-64.2	-161.7	88.2	-5.3	111.1	R112 T117 A341 D342 N343	R112-R115 PolarHBondContact NE-O 2.81Å; R112-R115 PolarHBondContact O-N 2.86Å; R115-T117 WeakPolarHBondContact CB-O 3.32Å; R115-A341 WeakPolarHBondContact CD-O 3.42Å; R115-A341 PolarHBondContact NE-O 3.32Å; R115-D342 VanDerWaalsContact CZ-CG 3.48Å; R115-D342 IonicContact CZ-OD1 3.89Å; R115-D342 IonicContact CZ-OD2 2.74Å; R115-D342 IonicContact NE-OD1 2.88Å; R115-D342 PolarHBondContact NE-OD1 3.33Å; R115-D342 IonicContact NE-OD2 2.66Å; R115-D342 IonicContact NH1-OD1 3.32Å; R115-D342 PolarHBondContact NH1-OD1 3.05Å; R115-D342 IonicContact NH2-OD1 3.46Å; R115-D342 PolarHBondContact NH2-OD1 2.79Å; R115-D342 IonicContact NH2-OD2 3.51Å; R115-D342 PolarHBondContact NH2-OD2 3.18Å; R115-N343 WeakPolarHBondContact CB-ND2 3.44Å
116	A	95.8	Very high	97.4	Very high	93 Å²	93	42.3 Å²	42.3	77%	0.769	21%	0.213	S	C	*	.	S	Bend	trans	-74.4	-33.1	176.5	0	0	0	0	0	112.3
117	T	96.8	Very high	97.2	Very high	73 Å²	73	44.3 Å²	44.3	45%	0.448	23%	0.225	S	C	.	.	S	Bend	trans	-119	159.9	-179.4	46.8	0	0	0	0	110.3	R112 R115 E119 N343	R112-T117 WeakPolarHBondContact CG-O 3.28Å; R115-T117 WeakPolarHBondContact CB-O 3.32Å; T117-E119 PolarHBondContact OG1-OE1 2.83Å; T117-E119 VanDerWaalsContact OG1-OE1 3.1Å; T117-N343 PolarHBondContact O-ND2 2.74Å; T117-N343 PolarHBondContact O-OD1 2.86Å
118	M	97.7	Very high	97	Very high	59 Å²	59	50.4 Å²	50.4	29%	0.291	25%	0.254	S	S	.	.			trans	-104	109.2	168.5	-176.9	72.8	-149.3	0	0	106.6	S110 R112 D120 N343	S110-M118 WeakPolarHBondContact OG-CE 3.2Å; R112-M118 VanDerWaalsContact CA-SD 3.51Å; R112-M118 HydrophobicContact CB-CB 4.46Å; R112-M118 HydrophobicContact CB-SD 4.07Å; R112-M118 HydrophobicContact CG-CB 4.2Å; M118-D120 HydrophobicContact CE-CB 3.41Å; M118-D120 VanDerWaalsContact CE-CB 3.41Å; M118-D120 WeakPolarHBondContact CE-O 3.4Å; M118-N343 WeakPolarHBondContact CA-OD1 3.46Å; M118-N343 HydrophobicContact CE-CB 3.98Å; M118-N343 HydrophobicContact SD-CB 4.14Å
119	E	98.3	Very high	96.7	Very high	30 Å²	30	51 Å²	51	14%	0.14	26%	0.258	C	S	.	.			trans	-108.9	-16.9	-177.2	-59.8	-173	167.2	0	0	112.1	T117 F121 G142 A149 N343	T117-E119 PolarHBondContact OG1-OE1 2.83Å; T117-E119 VanDerWaalsContact OG1-OE1 3.1Å; E119-F121 WeakPolarHBondContact O-CD2 3.49Å; E119-G142 WeakPolarHBondContact CB-O 3.36Å; E119-G142 PolarHBondContact O-N 2.83Å; E119-A149 WeakPolarHBondContact O-CB 3.4Å; E119-N343 PolarHBondContact N-OD1 2.9Å
120	D	98.7	Very high	96.3	Very high	5 Å²	5	58.4 Å²	58.4	3%	0.027	30%	0.298	C	S	.	.			trans	-71.3	146.3	168.3	-41.8	-3.6	0	0	0	112.1	M118 F140 S302 N343 T345	M118-D120 HydrophobicContact CE-CB 3.41Å; M118-D120 VanDerWaalsContact CE-CB 3.41Å; M118-D120 WeakPolarHBondContact CE-O 3.4Å; D120-F140 CarbonylContact C-O 3.51Å; D120-F140 WeakPolarHBondContact CA-O 3.46Å; D120-S302 PolarHBondContact OD2-OG 2.92Å; D120-N343 WeakPolarHBondContact OD1-CB 3.5Å; D120-T345 WeakPolarHBondContact CB-OG1 3.45Å; D120-T345 VanDerWaalsContact OD2-CB 3.31Å; D120-T345 WeakPolarHBondContact OD2-CB 3.43Å; D120-T345 PolarHBondContact OD2-N 3.03Å; D120-T345 PolarHBondContact OD2-OG1 3.38Å
121	F	98.5	Very high	95.9	Very high	34 Å²	34	60.8 Å²	60.8	15%	0.149	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	166.2	164.1	-69.2	-100.7	0	0	0	109.9	E119 F140 A149 E150 R153	E119-F121 WeakPolarHBondContact O-CD2 3.49Å; F121-F140 HydrophobicContact CB-CB 4.44Å; F121-F140 HydrophobicContact CB-CD2 4.26Å; F121-F140 PolarHBondContact N-O 2.79Å; F121-F140 PolarHBondContact O-N 2.86Å; F121-A149 HydrophobicContact CB-CB 4.46Å; F121-A149 HydrophobicContact CD2-CB 3.57Å; F121-A149 HydrophobicContact CE2-CB 4.28Å; F121-A149 HydrophobicContact CG-CB 4.42Å; F121-E150 HydrophobicContact CD2-CB 4.43Å; F121-E150 HydrophobicContact CE1-CB 4.09Å; F121-E150 HydrophobicContact CE1-CG 4.17Å; F121-E150 HydrophobicContact CE2-CB 3.98Å; F121-E150 HydrophobicContact CZ-CB 3.76Å; F121-E150 HydrophobicContact CZ-CG 4.19Å; F121-R153 HydrophobicContact CB-CB 4.21Å
122	Y	98.6	Very high	95.6	Very high	32 Å²	32	63 Å²	63	13%	0.125	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	158.6	170.1	58.5	-86.4	0	0	0	109.5	Y108 G138 T345	Y108-Y122 HydrophobicContact CD1-CE2 4.32Å; Y108-Y122 HydrophobicContact CD2-CD2 4.27Å; Y108-Y122 HydrophobicContact CD2-CE1 4.38Å; Y108-Y122 AromaticContact CD2-CE2 3.47Å; Y108-Y122 HydrophobicContact CD2-CE2 3.47Å; Y108-Y122 VanDerWaalsContact CD2-CE2 3.47Å; Y108-Y122 AromaticContact CD2-CZ 3.54Å; Y108-Y122 HydrophobicContact CE1-CE2 4.42Å; Y108-Y122 AromaticContact CE2-CE2 3.59Å; Y108-Y122 HydrophobicContact CE2-CE2 3.59Å; Y108-Y122 AromaticContact CE2-CZ 3.62Å; Y108-Y122 WeakPolarHBondContact CE2-OH 3.47Å; Y108-Y122 HydrophobicContact CG-CD2 4.29Å; Y108-Y122 AromaticContact CG-CE2 3.86Å; Y108-Y122 HydrophobicContact CG-CE2 3.86Å; Y122-G138 CarbonylContact C-O 3.18Å; Y122-G138 WeakPolarHBondContact CA-O 3.34Å; Y122-G138 WeakPolarHBondContact CB-O 3.39Å; Y122-T345 HydrophobicContact CD1-CG2 3.81Å; Y122-T345 HydrophobicContact CG-CG2 4.22Å
123	D	98.1	Very high	95.4	Very high	24 Å²	24	58.2 Å²	58.2	13%	0.128	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	141.2	171.1	-166.8	14.8	0	0	0	110.2	K125 F137 G138 F140 R153 F157	D123-K125 WeakPolarHBondContact OD2-CE 3.33Å; D123-K125 IonicContact OD2-NZ 3.18Å; D123-F137 CarbonylContact O-C 3.51Å; D123-F137 WeakPolarHBondContact O-CA 3.45Å; D123-G138 PolarHBondContact N-O 3.06Å; D123-G138 PolarHBondContact O-N 2.82Å; D123-F140 HydrophobicContact CB-CE2 3.95Å; D123-R153 HydrophobicContact CB-CG 4.15Å; D123-F157 HydrophobicContact CB-CD2 4.04Å; D123-F157 HydrophobicContact CB-CE2 3.96Å; D123-F157 VanDerWaalsContact OD2-CD2 3.26Å; D123-F157 WeakPolarHBondContact OD2-CD2 3.48Å
124	V	96.9	Very high	95.4	Very high	29 Å²	29	57.7 Å²	57.7	18%	0.176	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	115.2	177.2	-177.7	0	0	0	0	108	W97 L136 F137 I347	W97-V124 HydrophobicContact CZ2-CG1 3.63Å; W97-V124 VanDerWaalsContact NE1-CG1 3.33Å; V124-L136 CarbonylContact C-O 3.38Å; V124-L136 VanDerWaalsContact CA-O 3.31Å; V124-L136 WeakPolarHBondContact CA-O 3.25Å; V124-F137 HydrophobicContact CB-CD1 4.44Å; V124-F137 HydrophobicContact CG1-CD1 3.67Å; V124-F137 HydrophobicContact CG1-CE1 3.73Å; V124-F137 HydrophobicContact CG2-CD1 4.15Å; V124-I347 HydrophobicContact CG2-CD1 4.07Å
125	K	95.8	Very high	95.5	Very high	52 Å²	52	52.4 Å²	52.4	23%	0.226	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.9	-180	-61.2	-164.3	-170.1	-145.6	0	110.7	D123 S135 L136 F157 D158	D123-K125 WeakPolarHBondContact OD2-CE 3.33Å; D123-K125 IonicContact OD2-NZ 3.18Å; K125-S135 CarbonylContact O-C 3.55Å; K125-S135 WeakPolarHBondContact O-CA 3.36Å; K125-L136 HydrophobicContact CB-CB 4.34Å; K125-L136 HydrophobicContact CB-CD1 3.73Å; K125-L136 PolarHBondContact N-O 2.77Å; K125-L136 PolarHBondContact O-N 2.94Å; K125-F157 HydrophobicContact CD-CB 3.96Å; K125-F157 HydrophobicContact CD-CD2 4.36Å; K125-F157 HydrophobicContact CG-CD2 4.21Å; K125-D158 IonicContact NZ-OD1 2.7Å; K125-D158 PolarHBondContact NZ-OD1 3.46Å
126	L	94.5	Very high	95.6	Very high	51 Å²	51	47.9 Å²	47.9	27%	0.267	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.9	166.8	-49.4	89.5	0	0	0	108.7	W97 R99 V134	W97-L126 HydrophobicContact CD2-CD1 4.15Å; W97-L126 HydrophobicContact CD2-CD2 4.36Å; W97-L126 HydrophobicContact CE3-CD1 4.49Å; W97-L126 HydrophobicContact CE3-CD2 3.87Å; W97-L126 HydrophobicContact CH2-CD1 3.99Å; W97-L126 HydrophobicContact CH2-CD2 3.22Å; W97-L126 HydrophobicContact CH2-CG 3.67Å; W97-L126 HydrophobicContact CZ2-CD1 3.52Å; W97-L126 HydrophobicContact CZ2-CD2 3.71Å; W97-L126 HydrophobicContact CZ2-CG 3.66Å; W97-L126 HydrophobicContact CZ3-CD1 4.47Å; W97-L126 HydrophobicContact CZ3-CD2 3.34Å; W97-L126 HydrophobicContact CZ3-CG 4.24Å; R99-L126 HydrophobicContact CG-CD2 4.17Å; L126-V134 WeakPolarHBondContact CA-O 3.07Å
127	T	94.6	Very high	95.7	Very high	43 Å²	43	43.6 Å²	43.6	26%	0.264	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	170.7	173.5	-169.3	0	0	0	0	109.6	I129 V134 L161	T127-I129 HydrophobicContact CG2-CD1 4.23Å; T127-I129 HydrophobicContact CG2-CG1 4.14Å; T127-V134 HydrophobicContact CG2-CB 3.83Å; T127-V134 HydrophobicContact CG2-CG1 4.21Å; T127-V134 PolarHBondContact N-O 2.91Å; T127-V134 PolarHBondContact O-N 2.71Å; T127-L161 HydrophobicContact CG2-CD1 4.38Å; T127-L161 HydrophobicContact CG2-CD2 4.04Å
128	E	93.7	Very high	95.8	Very high	128 Å²	128	40.1 Å²	40.1	60%	0.598	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.5	167.4	-169.3	-179.9	117.4	0	0	107.9	G131 Q132	E128-G131 WeakPolarHBondContact OE1-CA 3.49Å; E128-Q132 WeakPolarHBondContact CA-O 3.49Å
129	I	93	Very high	95.9	Very high	38 Å²	38	37.3 Å²	37.3	20%	0.195	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	124.4	176.1	-56.8	176.8	0	0	0	106.9	T127 G131 Q132 V134 L161 F166 L167	T127-I129 HydrophobicContact CG2-CD1 4.23Å; T127-I129 HydrophobicContact CG2-CG1 4.14Å; I129-G131 PolarHBondContact O-N 2.82Å; I129-G131 VanDerWaalsContact O-N 3.13Å; I129-Q132 PolarHBondContact N-O 3.27Å; I129-Q132 WeakPolarHBondContact O-CB 3.32Å; I129-Q132 PolarHBondContact O-N 3.21Å; I129-V134 HydrophobicContact CD1-CG2 4.41Å; I129-V134 HydrophobicContact CG1-CG2 4.43Å; I129-L161 HydrophobicContact CD1-CD2 3.74Å; I129-F166 HydrophobicContact CD1-CD1 4.03Å; I129-F166 HydrophobicContact CD1-CE1 3.81Å; I129-L167 HydrophobicContact CB-CD1 4.12Å; I129-L167 HydrophobicContact CG2-CD1 3.58Å; I129-L167 HydrophobicContact CG2-CG 4.37Å
130	D	90.3	Very high	95.9	Very high	155 Å²	155	35.9 Å²	35.9	83%	0.829	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	36.9	-179.1	-59.5	-27.1	0	0	0	114.3	Q132 L167	D130-Q132 PolarHBondContact O-N 3.41Å; D130-L167 HydrophobicContact CB-CD1 4.38Å
131	G	90.3	Very high	95.9	Very high	60 Å²	60	36.1 Å²	36.1	62%	0.619	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.6	-0.5	-178.4	0	0	0	0	0	114.6	E128 I129	E128-G131 WeakPolarHBondContact OE1-CA 3.49Å; I129-G131 PolarHBondContact O-N 2.82Å; I129-G131 VanDerWaalsContact O-N 3.13Å
132	Q	90.3	Very high	95.9	Very high	68 Å²	68	34.6 Å²	34.6	32%	0.318	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	124.1	177.3	-168.2	162.7	18.7	0	0	110.3	E128 I129 D130 V134 V206	E128-Q132 WeakPolarHBondContact CA-O 3.49Å; I129-Q132 PolarHBondContact N-O 3.27Å; I129-Q132 WeakPolarHBondContact O-CB 3.32Å; I129-Q132 PolarHBondContact O-N 3.21Å; D130-Q132 PolarHBondContact O-N 3.41Å; Q132-V134 PolarHBondContact O-N 2.97Å; Q132-V206 HydrophobicContact CG-CG1 4.11Å; Q132-V206 PolarHBondContact NE2-O 3.46Å
133	A	93.8	Very high	95.9	Very high	30 Å²	30	34.7 Å²	34.7	25%	0.248	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	130.4	172.9	0	0	0	0	0	110	G207	A133-G207 PolarHBondContact O-N 3.05Å
134	V	96.8	Very high	95.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127	178.3	179	0	0	0	0	108.8	L126 T127 I129 Q132 L136 L161 F166 L204 L205 V206	L126-V134 WeakPolarHBondContact CA-O 3.07Å; T127-V134 HydrophobicContact CG2-CB 3.83Å; T127-V134 HydrophobicContact CG2-CG1 4.21Å; T127-V134 PolarHBondContact N-O 2.91Å; T127-V134 PolarHBondContact O-N 2.71Å; I129-V134 HydrophobicContact CD1-CG2 4.41Å; I129-V134 HydrophobicContact CG1-CG2 4.43Å; Q132-V134 PolarHBondContact O-N 2.97Å; V134-L136 HydrophobicContact CG1-CD1 3.96Å; V134-L136 HydrophobicContact CG1-CG 4.33Å; V134-L161 HydrophobicContact CG1-CD2 4.12Å; V134-F166 HydrophobicContact CG1-CE1 4.08Å; V134-F166 HydrophobicContact CG1-CZ 3.78Å; V134-F166 HydrophobicContact CG2-CE1 4.18Å; V134-L204 HydrophobicContact CG1-CD1 3.89Å; V134-L205 CarbonylContact C-O 3.55Å; V134-L205 VanDerWaalsContact CA-O 3.26Å; V134-L205 WeakPolarHBondContact CA-O 3.26Å; V134-V206 HydrophobicContact CG2-CG1 4.47Å
135	S	97.2	Very high	95.7	Very high	1 Å²	1	36 Å²	36	1%	0.007	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	127.6	176.2	-53.1	0	0	0	0	110	K125 L204 L205	K125-S135 CarbonylContact O-C 3.55Å; K125-S135 WeakPolarHBondContact O-CA 3.36Å; S135-L204 CarbonylContact O-C 3.53Å; S135-L204 WeakPolarHBondContact O-CA 3.43Å; S135-L205 PolarHBondContact N-O 3.01Å; S135-L205 PolarHBondContact O-N 3.41Å
136	L	98.4	Very high	95.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.1	-178.3	-48.5	98.2	0	0	0	109.3	V124 K125 V134 F157 L160 L161 A203 L204	V124-L136 CarbonylContact C-O 3.38Å; V124-L136 VanDerWaalsContact CA-O 3.31Å; V124-L136 WeakPolarHBondContact CA-O 3.25Å; K125-L136 HydrophobicContact CB-CB 4.34Å; K125-L136 HydrophobicContact CB-CD1 3.73Å; K125-L136 PolarHBondContact N-O 2.77Å; K125-L136 PolarHBondContact O-N 2.94Å; V134-L136 HydrophobicContact CG1-CD1 3.96Å; V134-L136 HydrophobicContact CG1-CG 4.33Å; L136-F157 HydrophobicContact CB-CD1 4.02Å; L136-F157 HydrophobicContact CB-CD2 3.57Å; L136-F157 HydrophobicContact CB-CE1 3.98Å; L136-F157 HydrophobicContact CB-CE2 3.53Å; L136-F157 HydrophobicContact CB-CG 3.84Å; L136-F157 HydrophobicContact CB-CZ 3.75Å; L136-F157 HydrophobicContact CD2-CB 3.95Å; L136-F157 HydrophobicContact CD2-CD1 3.57Å; L136-F157 HydrophobicContact CD2-CD2 4.31Å; L136-F157 HydrophobicContact CD2-CE1 4.13Å; L136-F157 HydrophobicContact CD2-CG 3.69Å; L136-F157 HydrophobicContact CG-CD1 4.42Å; L136-F157 HydrophobicContact CG-CD2 4.46Å; L136-F157 HydrophobicContact CG-CG 4.31Å; L136-L160 HydrophobicContact CD2-CD2 4.16Å; L136-L161 HydrophobicContact CD1-CD1 4.06Å; L136-L161 HydrophobicContact CD1-CD2 4.05Å; L136-L161 HydrophobicContact CD1-CG 4.35Å; L136-L161 HydrophobicContact CD2-CD2 4.31Å; L136-L161 HydrophobicContact CD2-CG 4.33Å; L136-A203 CarbonylContact C-O 3.55Å; L136-A203 WeakPolarHBondContact CA-O 3.28Å; L136-L204 HydrophobicContact CB-CD1 4.29Å; L136-L204 HydrophobicContact CD1-CD1 4.43Å; L136-L204 HydrophobicContact CD2-CD1 3.42Å; L136-L204 VanDerWaalsContact CD2-CD1 3.42Å; L136-L204 HydrophobicContact CG-CD1 3.38Å
137	F	98.5	Very high	95.8	Very high	3 Å²	3	37.1 Å²	37.1	1%	0.013	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	130.6	178.1	-48.7	-85.1	0	0	0	108.6	W97 L104 C106 D123 V124 F157 T202 A203 L300 I347 V349	W97-F137 HydrophobicContact CH2-CE1 4.05Å; W97-F137 HydrophobicContact CH2-CZ 4.06Å; W97-F137 AromaticContact CZ2-CE1 3.62Å; W97-F137 HydrophobicContact CZ2-CE1 3.62Å; W97-F137 HydrophobicContact CZ2-CZ 4.08Å; L104-F137 HydrophobicContact CD2-CZ 3.97Å; C106-F137 HydrophobicContact CB-CE1 3.8Å; C106-F137 VanDerWaalsContact SG-CE1 3.56Å; D123-F137 CarbonylContact O-C 3.51Å; D123-F137 WeakPolarHBondContact O-CA 3.45Å; V124-F137 HydrophobicContact CB-CD1 4.44Å; V124-F137 HydrophobicContact CG1-CD1 3.67Å; V124-F137 HydrophobicContact CG1-CE1 3.73Å; V124-F137 HydrophobicContact CG2-CD1 4.15Å; F137-F157 VanDerWaalsContact C-CZ 3.47Å; F137-T202 CarbonylContact O-C 3.59Å; F137-T202 WeakPolarHBondContact O-CA 3.38Å; F137-T202 WeakPolarHBondContact O-CB 3.39Å; F137-A203 HydrophobicContact CB-CB 4.42Å; F137-A203 HydrophobicContact CD2-CB 4.23Å; F137-A203 PolarHBondContact N-O 2.91Å; F137-A203 PolarHBondContact O-N 3.22Å; F137-L300 HydrophobicContact CB-CD1 4.26Å; F137-I347 HydrophobicContact CB-CD1 4.29Å; F137-I347 HydrophobicContact CB-CG2 4.44Å; F137-I347 HydrophobicContact CD1-CG2 4.18Å; F137-V349 HydrophobicContact CD1-CG2 3.74Å; F137-V349 HydrophobicContact CD2-CG2 4.02Å; F137-V349 HydrophobicContact CE1-CG2 3.67Å; F137-V349 HydrophobicContact CE2-CG1 4.25Å; F137-V349 HydrophobicContact CE2-CG2 3.96Å; F137-V349 HydrophobicContact CG-CG2 3.91Å; F137-V349 HydrophobicContact CZ-CG1 4Å; F137-V349 HydrophobicContact CZ-CG2 3.79Å
138	G	98.8	Very high	96	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	136.5	-178	0	0	0	0	0	112.2	Y122 D123 S201 I347	Y122-G138 CarbonylContact C-O 3.18Å; Y122-G138 WeakPolarHBondContact CA-O 3.34Å; Y122-G138 WeakPolarHBondContact CB-O 3.39Å; D123-G138 PolarHBondContact N-O 3.06Å; D123-G138 PolarHBondContact O-N 2.82Å; G138-S201 WeakPolarHBondContact CA-O 3.31Å; G138-I347 WeakPolarHBondContact O-CD1 3.4Å
139	V	98.9	Very high	96.2	Very high	0 Å²	0	29 Å²	29	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.8	167.1	178.1	0	0	0	0	108.2	A200 S201 L300 T345 I347	V139-A200 WeakPolarHBondContact O-CA 3.31Å; V139-S201 PolarHBondContact N-O 2.75Å; V139-S201 PolarHBondContact O-N 2.99Å; V139-L300 HydrophobicContact CG2-CB 4.01Å; V139-T345 HydrophobicContact CG1-CG2 4.06Å; V139-T345 HydrophobicContact CG2-CG2 4.3Å; V139-I347 HydrophobicContact CG2-CD1 3.78Å; V139-I347 HydrophobicContact CG2-CG1 3.89Å
140	F	98.9	Very high	96.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	102.6	-175.7	-48.6	-64	0	0	0	108.5	D120 F121 D123 A149 L152 R153 L156 A200 T202	D120-F140 CarbonylContact C-O 3.51Å; D120-F140 WeakPolarHBondContact CA-O 3.46Å; F121-F140 HydrophobicContact CB-CB 4.44Å; F121-F140 HydrophobicContact CB-CD2 4.26Å; F121-F140 PolarHBondContact N-O 2.79Å; F121-F140 PolarHBondContact O-N 2.86Å; D123-F140 HydrophobicContact CB-CE2 3.95Å; F140-A149 HydrophobicContact CB-CB 3.9Å; F140-L152 HydrophobicContact CB-CD1 4.49Å; F140-L152 HydrophobicContact CD1-CB 3.75Å; F140-L152 HydrophobicContact CD1-CD1 3.76Å; F140-L152 HydrophobicContact CD1-CG 4.42Å; F140-L152 HydrophobicContact CD2-CB 4.31Å; F140-L152 HydrophobicContact CE1-CB 3.92Å; F140-L152 HydrophobicContact CE1-CD1 4.38Å; F140-L152 HydrophobicContact CE2-CB 4.46Å; F140-L152 HydrophobicContact CG-CB 3.96Å; F140-L152 HydrophobicContact CG-CD1 4.34Å; F140-L152 HydrophobicContact CZ-CB 4.28Å; F140-R153 HydrophobicContact CD2-CB 4.23Å; F140-R153 HydrophobicContact CE2-CB 4.2Å; F140-L156 HydrophobicContact CE1-CD2 3.71Å; F140-L156 HydrophobicContact CZ-CD2 4.15Å; F140-A200 HydrophobicContact CD1-CB 3.83Å; F140-A200 HydrophobicContact CE1-CB 3.96Å; F140-T202 HydrophobicContact CE1-CG2 4.11Å
141	D	98.8	Very high	96.8	Very high	10 Å²	10	24.8 Å²	24.8	5%	0.053	16%	0.16	C	C	.	.			trans	-91.1	108	179.7	-175.4	-18.2	0	0	0	109	S198 T199 S302	D141-S198 CarbonylContact O-C 3.54Å; D141-S198 VanDerWaalsContact O-CA 3.23Å; D141-S198 WeakPolarHBondContact O-CA 3.42Å; D141-S198 PolarHBondContact O-OG 3.43Å; D141-T199 HydrophobicContact CB-CG2 3.89Å; D141-T199 VanDerWaalsContact CB-OG1 3.24Å; D141-T199 WeakPolarHBondContact CB-OG1 3.43Å; D141-T199 PolarHBondContact N-OG1 2.88Å; D141-T199 PolarHBondContact O-N 3.27Å; D141-S302 WeakPolarHBondContact OD2-CB 3.26Å
142	G	98.6	Very high	97.2	Very high	2 Å²	2	22 Å²	22	2%	0.021	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	145.4	-174.7	0	0	0	0	0	113	E119 G197	E119-G142 WeakPolarHBondContact CB-O 3.36Å; E119-G142 PolarHBondContact O-N 2.83Å; G142-G197 WeakPolarHBondContact CA-O 3.32Å
143	H	97.9	Very high	97.6	Very high	34 Å²	34	22.4 Å²	22.4	16%	0.157	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	148.4	173.6	54.9	-103.5	0	0	0	112.7	G145 D196 G197 N273	H143-G145 PolarHBondContact O-N 3.08Å; H143-D196 WeakPolarHBondContact O-CA 3.39Å; H143-G197 PolarHBondContact N-O 3.37Å; H143-G197 WeakPolarHBondContact NE2-CA 3.48Å; H143-G197 PolarHBondContact O-N 3.05Å; H143-N273 PolarHBondContact CD2-ND2 3.36Å; H143-N273 PolarHBondContact NE2-ND2 2.86Å; H143-N273 VanDerWaalsContact NE2-ND2 3.13Å; H143-N273 PolarHBondContact NE2-OD1 3.4Å
144	G	95.3	Very high	97.8	Very high	67 Å²	67	25.2 Å²	25.2	69%	0.691	14%	0.137	S	C	*	.	S	Bend	trans	74.8	3.4	-176	0	0	0	0	0	113.5
145	G	95.6	Very high	97.9	Very high	14 Å²	14	28.2 Å²	28.2	14%	0.144	15%	0.151	C	C	.	.	S	Bend	trans	139	158.9	-172.8	0	0	0	0	0	110.6	H143 R147 D196	H143-G145 PolarHBondContact O-N 3.08Å; G145-R147 VanDerWaalsContact C-N 3.34Å; G145-R147 PolarHBondContact O-N 3.02Å; G145-D196 WeakPolarHBondContact CA-OD2 3.44Å
146	S	96.3	Very high	98	Very high	43 Å²	43	28.2 Å²	28.2	30%	0.301	15%	0.151	S	C	.	.	S	Bend	trans	-81.3	-9.5	-174.8	58.9	0	0	0	0	114.4	A148 A149 E150	S146-A148 PolarHBondContact O-N 3.35Å; S146-A149 PolarHBondContact O-N 3.41Å; S146-E150 WeakPolarHBondContact O-CB 3.46Å; S146-E150 PolarHBondContact O-N 2.91Å
147	R	96.5	Very high	98	Very high	83 Å²	83	28.3 Å²	28.3	31%	0.313	15%	0.151	S	C	.	.	H	α-helix	trans	-72.5	-32.8	-160.9	-165.8	167.1	167.9	-150.3	-4.7	113.5	G145 Y151 F185 E189 D196	G145-R147 VanDerWaalsContact C-N 3.34Å; G145-R147 PolarHBondContact O-N 3.02Å; R147-Y151 VanDerWaalsContact O-CB 3.3Å; R147-Y151 WeakPolarHBondContact O-CB 3.18Å; R147-Y151 PolarHBondContact O-N 3.33Å; R147-F185 HydrophobicContact CG-CE2 4.33Å; R147-E189 WeakPolarHBondContact CD-OE1 3.47Å; R147-E189 IonicContact CZ-OE1 2.67Å; R147-E189 IonicContact CZ-OE2 3.07Å; R147-E189 IonicContact NE-OE1 3.05Å; R147-E189 PolarHBondContact NE-OE1 2.85Å; R147-E189 IonicContact NH1-OE1 3.03Å; R147-E189 PolarHBondContact NH1-OE1 3.43Å; R147-E189 IonicContact NH1-OE2 2.88Å; R147-E189 PolarHBondContact NH1-OE2 3.34Å; R147-E189 IonicContact NH2-OE1 2.82Å; R147-D196 VanDerWaalsContact CB-OD2 3.24Å; R147-D196 WeakPolarHBondContact CB-OD2 3.47Å; R147-D196 PolarHBondContact N-OD2 2.83Å
148	A	97.9	Very high	98	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.008	16%	0.16	C	C	.	.	H	α-helix	trans	-64.8	-50.6	174.4	0	0	0	0	0	110.9	S146 E150 Y151 L152 F185 D196 G197	S146-A148 PolarHBondContact O-N 3.35Å; A148-E150 VanDerWaalsContact C-N 3.34Å; A148-E150 PolarHBondContact O-N 3.3Å; A148-Y151 WeakPolarHBondContact O-CB 3.4Å; A148-Y151 PolarHBondContact O-N 2.87Å; A148-L152 WeakPolarHBondContact O-CG 3.31Å; A148-L152 PolarHBondContact O-N 3.36Å; A148-F185 VanDerWaalsContact CA-CZ 3.49Å; A148-F185 HydrophobicContact CB-CD1 4.46Å; A148-F185 HydrophobicContact CB-CE1 3.69Å; A148-F185 HydrophobicContact CB-CE2 4.27Å; A148-F185 HydrophobicContact CB-CZ 3.58Å; A148-D196 HydrophobicContact CB-CB 4.23Å; A148-G197 VanDerWaalsContact CB-C 3.43Å
149	A	98.6	Very high	98	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.7	-39.8	178.8	0	0	0	0	0	112.2	E119 F121 F140 S146 L152 R153 S198	E119-A149 WeakPolarHBondContact O-CB 3.4Å; F121-A149 HydrophobicContact CB-CB 4.46Å; F121-A149 HydrophobicContact CD2-CB 3.57Å; F121-A149 HydrophobicContact CE2-CB 4.28Å; F121-A149 HydrophobicContact CG-CB 4.42Å; F140-A149 HydrophobicContact CB-CB 3.9Å; S146-A149 PolarHBondContact O-N 3.41Å; A149-L152 PolarHBondContact O-N 2.88Å; A149-R153 PolarHBondContact O-N 2.91Å; A149-S198 WeakPolarHBondContact CA-OG 3.31Å; A149-S198 WeakPolarHBondContact CB-OG 3.46Å
150	E	98.1	Very high	97.9	Very high	67 Å²	67	31.8 Å²	31.8	31%	0.313	17%	0.17	S	C	.	.	H	α-helix	trans	-61.8	-44.3	173.6	-175.9	167.2	-136.4	0	0	112.1	F121 S146 A148 L152 R153 E154	F121-E150 HydrophobicContact CD2-CB 4.43Å; F121-E150 HydrophobicContact CE1-CB 4.09Å; F121-E150 HydrophobicContact CE1-CG 4.17Å; F121-E150 HydrophobicContact CE2-CB 3.98Å; F121-E150 HydrophobicContact CZ-CB 3.76Å; F121-E150 HydrophobicContact CZ-CG 4.19Å; S146-E150 WeakPolarHBondContact O-CB 3.46Å; S146-E150 PolarHBondContact O-N 2.91Å; A148-E150 VanDerWaalsContact C-N 3.34Å; A148-E150 PolarHBondContact O-N 3.3Å; E150-L152 VanDerWaalsContact C-N 3.34Å; E150-L152 PolarHBondContact O-N 3.47Å; E150-R153 WeakPolarHBondContact O-CB 3.49Å; E150-R153 PolarHBondContact O-N 3.04Å; E150-R153 IonicContact OE1-NH2 2.6Å; E150-R153 PolarHBondContact OE1-NH2 2.79Å; E150-E154 WeakPolarHBondContact O-CG 3.48Å; E150-E154 PolarHBondContact O-N 3.38Å; E150-E154 VanDerWaalsContact O-N 3.12Å
151	Y	98.3	Very high	97.9	Very high	37 Å²	37	33.9 Å²	33.9	15%	0.145	18%	0.181	C	C	.	.	H	α-helix	trans	-62	-41.4	176.7	-170.6	-86.1	0	0	0	111.7	R147 A148 E154 H155 T181 D184 F185	R147-Y151 VanDerWaalsContact O-CB 3.3Å; R147-Y151 WeakPolarHBondContact O-CB 3.18Å; R147-Y151 PolarHBondContact O-N 3.33Å; A148-Y151 WeakPolarHBondContact O-CB 3.4Å; A148-Y151 PolarHBondContact O-N 2.87Å; Y151-E154 PolarHBondContact O-N 2.9Å; Y151-H155 HydrophobicContact CD1-CB 4.29Å; Y151-H155 AromaticContact CD1-CD2 3.77Å; Y151-H155 AromaticContact CD2-CD2 3.44Å; Y151-H155 VanDerWaalsContact CD2-CD2 3.44Å; Y151-H155 WeakPolarHBondContact CD2-CD2 3.37Å; Y151-H155 AromaticContact CD2-NE2 3.84Å; Y151-H155 HydrophobicContact CE1-CB 4Å; Y151-H155 AromaticContact CE1-CD2 3.72Å; Y151-H155 AromaticContact CE2-CD2 3.37Å; Y151-H155 WeakPolarHBondContact CE2-CD2 3.43Å; Y151-H155 AromaticContact CE2-NE2 3.64Å; Y151-H155 AromaticContact CG-CD2 3.64Å; Y151-H155 AromaticContact CZ-CD2 3.51Å; Y151-H155 WeakPolarHBondContact O-CB 3.41Å; Y151-H155 PolarHBondContact O-CD2 3.34Å; Y151-H155 VanDerWaalsContact O-CD2 3.24Å; Y151-H155 PolarHBondContact O-N 2.83Å; Y151-T181 HydrophobicContact CD1-CG2 4.23Å; Y151-T181 HydrophobicContact CE1-CG2 3.95Å; Y151-D184 WeakPolarHBondContact OH-CB 3.04Å; Y151-F185 HydrophobicContact CD1-CB 3.69Å; Y151-F185 AromaticContact CD1-CD2 3.97Å; Y151-F185 HydrophobicContact CD1-CD2 3.97Å; Y151-F185 HydrophobicContact CD1-CG 4.2Å; Y151-F185 AromaticContact CD2-CD2 3.9Å; Y151-F185 HydrophobicContact CD2-CD2 3.9Å; Y151-F185 HydrophobicContact CE1-CB 3.73Å; Y151-F185 HydrophobicContact CG-CB 4.18Å; Y151-F185 AromaticContact CG-CD2 3.58Å; Y151-F185 HydrophobicContact CG-CD2 3.58Å; Y151-F185 HydrophobicContact CG-CE2 4.45Å; Y151-F185 HydrophobicContact CG-CG 4.27Å
152	L	98.7	Very high	97.8	Very high	2 Å²	2	40 Å²	40	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-62.6	-45.5	176.8	-65.7	-179.6	0	0	0	112.1	F140 A148 A149 E150 E154 H155 L156 T181 A200 F271	F140-L152 HydrophobicContact CB-CD1 4.49Å; F140-L152 HydrophobicContact CD1-CB 3.75Å; F140-L152 HydrophobicContact CD1-CD1 3.76Å; F140-L152 HydrophobicContact CD1-CG 4.42Å; F140-L152 HydrophobicContact CD2-CB 4.31Å; F140-L152 HydrophobicContact CE1-CB 3.92Å; F140-L152 HydrophobicContact CE1-CD1 4.38Å; F140-L152 HydrophobicContact CE2-CB 4.46Å; F140-L152 HydrophobicContact CG-CB 3.96Å; F140-L152 HydrophobicContact CG-CD1 4.34Å; F140-L152 HydrophobicContact CZ-CB 4.28Å; A148-L152 WeakPolarHBondContact O-CG 3.31Å; A148-L152 PolarHBondContact O-N 3.36Å; A149-L152 PolarHBondContact O-N 2.88Å; E150-L152 VanDerWaalsContact C-N 3.34Å; E150-L152 PolarHBondContact O-N 3.47Å; L152-E154 PolarHBondContact O-N 3.37Å; L152-H155 PolarHBondContact O-N 3.22Å; L152-L156 HydrophobicContact CB-CB 4.49Å; L152-L156 HydrophobicContact CD2-CB 4.46Å; L152-L156 WeakPolarHBondContact O-CB 3.33Å; L152-L156 PolarHBondContact O-N 3.08Å; L152-T181 HydrophobicContact CD2-CG2 3.82Å; L152-A200 HydrophobicContact CD1-CB 4.31Å; L152-F271 HydrophobicContact CD1-CB 4.04Å; L152-F271 HydrophobicContact CD1-CD1 4.36Å; L152-F271 HydrophobicContact CD1-CD2 3.65Å; L152-F271 HydrophobicContact CD1-CE2 4.15Å; L152-F271 HydrophobicContact CD1-CG 3.77Å; L152-F271 HydrophobicContact CD2-CB 4.34Å; L152-F271 HydrophobicContact CD2-CD1 3.47Å; L152-F271 VanDerWaalsContact CD2-CD1 3.47Å; L152-F271 HydrophobicContact CD2-CD2 4.19Å; L152-F271 HydrophobicContact CD2-CE1 3.6Å; L152-F271 HydrophobicContact CD2-CE2 4.35Å; L152-F271 HydrophobicContact CD2-CG 3.75Å; L152-F271 HydrophobicContact CD2-CZ 4.04Å; L152-F271 HydrophobicContact CG-CD1 4.47Å; L152-F271 HydrophobicContact CG-CG 4.31Å
153	R	98.5	Very high	97.8	Very high	76 Å²	76	41.2 Å²	41.2	29%	0.287	21%	0.213	S	C	.	.	H	α-helix	trans	-54.3	-41.4	173.6	178.5	-159.6	67.3	-175.2	-3.3	111.7	F121 D123 F140 A149 E150	F121-R153 HydrophobicContact CB-CB 4.21Å; D123-R153 HydrophobicContact CB-CG 4.15Å; F140-R153 HydrophobicContact CD2-CB 4.23Å; F140-R153 HydrophobicContact CE2-CB 4.2Å; A149-R153 PolarHBondContact O-N 2.91Å; E150-R153 WeakPolarHBondContact O-CB 3.49Å; E150-R153 PolarHBondContact O-N 3.04Å; E150-R153 IonicContact OE1-NH2 2.6Å; E150-R153 PolarHBondContact OE1-NH2 2.79Å
154	E	98.1	Very high	97.8	Very high	90 Å²	90	45 Å²	45	42%	0.421	24%	0.24	S	C	.	.	H	α-helix	trans	-78.6	-32.8	-175.2	-71.1	178.3	-178.9	0	0	113.5	E150 Y151 L152	E150-E154 WeakPolarHBondContact O-CG 3.48Å; E150-E154 PolarHBondContact O-N 3.38Å; E150-E154 VanDerWaalsContact O-N 3.12Å; Y151-E154 PolarHBondContact O-N 2.9Å; L152-E154 PolarHBondContact O-N 3.37Å
155	H	98.6	Very high	97.9	Very high	62 Å²	62	44.6 Å²	44.6	29%	0.287	22%	0.222	S	C	.	.	H	α-helix	trans	-120.4	-30.9	-164.8	-62.2	-65.5	0	0	0	115.1	Y151 L152 F157 D158 N159	Y151-H155 HydrophobicContact CD1-CB 4.29Å; Y151-H155 AromaticContact CD1-CD2 3.77Å; Y151-H155 AromaticContact CD2-CD2 3.44Å; Y151-H155 VanDerWaalsContact CD2-CD2 3.44Å; Y151-H155 WeakPolarHBondContact CD2-CD2 3.37Å; Y151-H155 AromaticContact CD2-NE2 3.84Å; Y151-H155 HydrophobicContact CE1-CB 4Å; Y151-H155 AromaticContact CE1-CD2 3.72Å; Y151-H155 AromaticContact CE2-CD2 3.37Å; Y151-H155 WeakPolarHBondContact CE2-CD2 3.43Å; Y151-H155 AromaticContact CE2-NE2 3.64Å; Y151-H155 AromaticContact CG-CD2 3.64Å; Y151-H155 AromaticContact CZ-CD2 3.51Å; Y151-H155 WeakPolarHBondContact O-CB 3.41Å; Y151-H155 PolarHBondContact O-CD2 3.34Å; Y151-H155 VanDerWaalsContact O-CD2 3.24Å; Y151-H155 PolarHBondContact O-N 2.83Å; L152-H155 PolarHBondContact O-N 3.22Å; H155-F157 PolarHBondContact O-N 3.48Å; H155-D158 PolarHBondContact O-N 3.23Å; H155-N159 VanDerWaalsContact O-CB 3.31Å; H155-N159 WeakPolarHBondContact O-CB 3.33Å; H155-N159 PolarHBondContact O-N 3.11Å; H155-N159 PolarHBondContact O-ND2 3.03Å
156	L	98.8	Very high	98	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-61.4	-54.2	-167.6	-176.3	65.4	0	0	0	112.1	F140 L152 N159 L160 T177 Y178 T181 T202 F271	F140-L156 HydrophobicContact CE1-CD2 3.71Å; F140-L156 HydrophobicContact CZ-CD2 4.15Å; L152-L156 HydrophobicContact CB-CB 4.49Å; L152-L156 HydrophobicContact CD2-CB 4.46Å; L152-L156 WeakPolarHBondContact O-CB 3.33Å; L152-L156 PolarHBondContact O-N 3.08Å; L156-N159 PolarHBondContact O-N 3.15Å; L156-L160 WeakPolarHBondContact O-CB 3.36Å; L156-L160 PolarHBondContact O-N 3.09Å; L156-T177 HydrophobicContact CD1-CG2 4.2Å; L156-Y178 HydrophobicContact CD1-CD2 3.86Å; L156-Y178 HydrophobicContact CD1-CE2 4Å; L156-Y178 HydrophobicContact CD1-CG 4.44Å; L156-Y178 HydrophobicContact CD2-CE2 4.06Å; L156-Y178 HydrophobicContact CG-CE2 4.36Å; L156-T181 HydrophobicContact CB-CG2 4.47Å; L156-T181 HydrophobicContact CD1-CG2 4.1Å; L156-T202 HydrophobicContact CD2-CG2 4.16Å; L156-F271 HydrophobicContact CD1-CE1 4.45Å; L156-F271 HydrophobicContact CD1-CZ 4.24Å
157	F	98.6	Very high	97.9	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.009	22%	0.216	C	C	.	.	H	α-helix	trans	-69.7	-32.5	178.2	-69.4	-20	0	0	0	112.9	D123 K125 L136 F137 H155 N159 L160 L161 T202	D123-F157 HydrophobicContact CB-CD2 4.04Å; D123-F157 HydrophobicContact CB-CE2 3.96Å; D123-F157 VanDerWaalsContact OD2-CD2 3.26Å; D123-F157 WeakPolarHBondContact OD2-CD2 3.48Å; K125-F157 HydrophobicContact CD-CB 3.96Å; K125-F157 HydrophobicContact CD-CD2 4.36Å; K125-F157 HydrophobicContact CG-CD2 4.21Å; L136-F157 HydrophobicContact CB-CD1 4.02Å; L136-F157 HydrophobicContact CB-CD2 3.57Å; L136-F157 HydrophobicContact CB-CE1 3.98Å; L136-F157 HydrophobicContact CB-CE2 3.53Å; L136-F157 HydrophobicContact CB-CG 3.84Å; L136-F157 HydrophobicContact CB-CZ 3.75Å; L136-F157 HydrophobicContact CD2-CB 3.95Å; L136-F157 HydrophobicContact CD2-CD1 3.57Å; L136-F157 HydrophobicContact CD2-CD2 4.31Å; L136-F157 HydrophobicContact CD2-CE1 4.13Å; L136-F157 HydrophobicContact CD2-CG 3.69Å; L136-F157 HydrophobicContact CG-CD1 4.42Å; L136-F157 HydrophobicContact CG-CD2 4.46Å; L136-F157 HydrophobicContact CG-CG 4.31Å; F137-F157 VanDerWaalsContact C-CZ 3.47Å; H155-F157 PolarHBondContact O-N 3.48Å; F157-N159 VanDerWaalsContact C-N 3.33Å; F157-L160 PolarHBondContact O-N 2.66Å; F157-L161 WeakPolarHBondContact O-CB 3.49Å; F157-L161 WeakPolarHBondContact O-CG 3.37Å; F157-L161 PolarHBondContact O-N 2.98Å; F157-T202 HydrophobicContact CE1-CG2 3.85Å; F157-T202 HydrophobicContact CZ-CG2 3.97Å
158	D	98.1	Very high	97.9	Very high	35 Å²	35	46.3 Å²	46.3	19%	0.187	23%	0.234	C	C	.	.	H	α-helix	trans	-67.8	-34.4	176.4	-99.8	37.2	0	0	0	112.6	K125 H155 K162	K125-D158 IonicContact NZ-OD1 2.7Å; K125-D158 PolarHBondContact NZ-OD1 3.46Å; H155-D158 PolarHBondContact O-N 3.23Å; D158-K162 WeakPolarHBondContact O-CD 3.49Å; D158-K162 VanDerWaalsContact O-CE 3.29Å; D158-K162 WeakPolarHBondContact O-CE 3.35Å; D158-K162 VanDerWaalsContact O-CG 3.23Å; D158-K162 WeakPolarHBondContact O-CG 3.42Å
159	N	98.4	Very high	97.9	Very high	38 Å²	38	49.8 Å²	49.8	20%	0.203	25%	0.253	C	S	.	.	H	α-helix	trans	-72	-43.7	173	-70	-15.9	0	0	0	110.4	H155 L156 F157 L161 K162 H163 T177 T181	H155-N159 VanDerWaalsContact O-CB 3.31Å; H155-N159 WeakPolarHBondContact O-CB 3.33Å; H155-N159 PolarHBondContact O-N 3.11Å; H155-N159 PolarHBondContact O-ND2 3.03Å; L156-N159 PolarHBondContact O-N 3.15Å; F157-N159 VanDerWaalsContact C-N 3.33Å; N159-L161 PolarHBondContact O-N 2.76Å; N159-K162 PolarHBondContact O-N 3.5Å; N159-K162 VanDerWaalsContact O-N 3.1Å; N159-H163 PolarHBondContact O-N 3.38Å; N159-T177 HydrophobicContact CB-CG2 3.72Å; N159-T181 PolarHBondContact ND2-OG1 3.18Å; N159-T181 VanDerWaalsContact ND2-OG1 3.16Å
160	L	98.5	Very high	97.8	Very high	4 Å²	4	50 Å²	50	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-46	-178.4	-176.2	57.2	0	0	0	111.7	L136 L156 F157 K162 H163 F166 A173 I174 T177 L204	L136-L160 HydrophobicContact CD2-CD2 4.16Å; L156-L160 WeakPolarHBondContact O-CB 3.36Å; L156-L160 PolarHBondContact O-N 3.09Å; F157-L160 PolarHBondContact O-N 2.66Å; L160-K162 PolarHBondContact O-N 3.08Å; L160-H163 VanDerWaalsContact O-CB 3.23Å; L160-H163 WeakPolarHBondContact O-CB 3.18Å; L160-H163 PolarHBondContact O-N 2.65Å; L160-F166 HydrophobicContact CD1-CD2 3.89Å; L160-F166 HydrophobicContact CD1-CE2 4.21Å; L160-F166 HydrophobicContact CD2-CE2 4.09Å; L160-F166 HydrophobicContact CG-CD2 3.74Å; L160-F166 HydrophobicContact CG-CE2 3.67Å; L160-F166 WeakPolarHBondContact O-CD2 3.33Å; L160-A173 HydrophobicContact CD1-CB 4.07Å; L160-I174 HydrophobicContact CD1-CG1 4.05Å; L160-I174 HydrophobicContact CD2-CG1 4.17Å; L160-T177 HydrophobicContact CB-CG2 3.94Å; L160-T177 HydrophobicContact CD1-CG2 4.47Å; L160-L204 HydrophobicContact CD2-CD2 4.26Å
161	L	97.9	Very high	97.8	Very high	44 Å²	44	50.5 Å²	50.5	23%	0.23	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.6	178	-68.7	170.5	0	0	0	113.7	T127 I129 V134 L136 F157 N159 F166	T127-L161 HydrophobicContact CG2-CD1 4.38Å; T127-L161 HydrophobicContact CG2-CD2 4.04Å; I129-L161 HydrophobicContact CD1-CD2 3.74Å; V134-L161 HydrophobicContact CG1-CD2 4.12Å; L136-L161 HydrophobicContact CD1-CD1 4.06Å; L136-L161 HydrophobicContact CD1-CD2 4.05Å; L136-L161 HydrophobicContact CD1-CG 4.35Å; L136-L161 HydrophobicContact CD2-CD2 4.31Å; L136-L161 HydrophobicContact CD2-CG 4.33Å; F157-L161 WeakPolarHBondContact O-CB 3.49Å; F157-L161 WeakPolarHBondContact O-CG 3.37Å; F157-L161 PolarHBondContact O-N 2.98Å; N159-L161 PolarHBondContact O-N 2.76Å; L161-F166 HydrophobicContact CD2-CD1 4.48Å; L161-F166 HydrophobicContact CD2-CE1 3.81Å; L161-F166 HydrophobicContact CD2-CE2 4.34Å; L161-F166 HydrophobicContact CD2-CZ 3.72Å
162	K	97.4	Very high	97.8	Very high	137 Å²	137	51.8 Å²	51.8	60%	0.596	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-4.8	175.2	-67.1	169	-164.2	153.9	0	112.6	D158 N159 L160	D158-K162 WeakPolarHBondContact O-CD 3.49Å; D158-K162 VanDerWaalsContact O-CE 3.29Å; D158-K162 WeakPolarHBondContact O-CE 3.35Å; D158-K162 VanDerWaalsContact O-CG 3.23Å; D158-K162 WeakPolarHBondContact O-CG 3.42Å; N159-K162 PolarHBondContact O-N 3.5Å; N159-K162 VanDerWaalsContact O-N 3.1Å; L160-K162 PolarHBondContact O-N 3.08Å
163	H	98.3	Very high	97.8	Very high	29 Å²	29	51.7 Å²	51.7	13%	0.134	26%	0.264	C	S	.	.			trans	-64.2	130.5	-179.2	-161.9	-82.7	0	0	0	109.8	N159 L160 D165 F166 A173 E176	N159-H163 PolarHBondContact O-N 3.38Å; L160-H163 VanDerWaalsContact O-CB 3.23Å; L160-H163 WeakPolarHBondContact O-CB 3.18Å; L160-H163 PolarHBondContact O-N 2.65Å; H163-D165 IonicContact CE1-OD2 2.81Å; H163-D165 PolarHBondContact ND1-N 3.11Å; H163-D165 PolarHBondContact O-N 2.78Å; H163-F166 HydrophobicContact CB-CB 4.23Å; H163-F166 VanDerWaalsContact O-CB 3.27Å; H163-F166 WeakPolarHBondContact O-CB 3.48Å; H163-F166 PolarHBondContact O-N 3.31Å; H163-A173 HydrophobicContact CB-CB 3.95Å; H163-A173 WeakPolarHBondContact ND1-CB 3.38Å; H163-E176 IonicContact CE1-OE2 2.66Å; H163-E176 PolarHBondContact CE1-OE2 3.07Å; H163-E176 VanDerWaalsContact CE1-OE2 3.27Å; H163-E176 IonicContact NE2-OE2 3.45Å; H163-E176 PolarHBondContact NE2-OE2 2.67Å
164	P	97.3	Very high	97.8	Very high	112 Å²	112	48.1 Å²	48.1	73%	0.727	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-33	-176.9	23	-34	0	0	0	112.6
165	D	97.2	Very high	97.9	Very high	60 Å²	60	44.9 Å²	44.9	32%	0.321	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	14.3	179.7	-59.1	-61.1	0	0	0	114.5	H163 L167 T168 D169	H163-D165 IonicContact CE1-OD2 2.81Å; H163-D165 PolarHBondContact ND1-N 3.11Å; H163-D165 PolarHBondContact O-N 2.78Å; D165-L167 VanDerWaalsContact C-N 3.33Å; D165-L167 PolarHBondContact O-N 3.12Å; D165-T168 WeakPolarHBondContact CA-OG1 3.37Å; D165-T168 PolarHBondContact O-N 3.39Å; D165-T168 PolarHBondContact O-OG1 2.82Å; D165-T168 PolarHBondContact OD1-OG1 3.16Å; D165-D169 HydrophobicContact CB-CB 4.36Å; D165-D169 CarbonylContact O-C 3.55Å; D165-D169 PolarHBondContact O-N 2.82Å
166	F	97.6	Very high	97.9	Very high	7 Å²	7	46.2 Å²	46.2	3%	0.031	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-44	-173.5	176.6	-109.2	0	0	0	113.9	I129 V134 L160 L161 H163 T170 L204 V206	I129-F166 HydrophobicContact CD1-CD1 4.03Å; I129-F166 HydrophobicContact CD1-CE1 3.81Å; V134-F166 HydrophobicContact CG1-CE1 4.08Å; V134-F166 HydrophobicContact CG1-CZ 3.78Å; V134-F166 HydrophobicContact CG2-CE1 4.18Å; L160-F166 HydrophobicContact CD1-CD2 3.89Å; L160-F166 HydrophobicContact CD1-CE2 4.21Å; L160-F166 HydrophobicContact CD2-CE2 4.09Å; L160-F166 HydrophobicContact CG-CD2 3.74Å; L160-F166 HydrophobicContact CG-CE2 3.67Å; L160-F166 WeakPolarHBondContact O-CD2 3.33Å; L161-F166 HydrophobicContact CD2-CD1 4.48Å; L161-F166 HydrophobicContact CD2-CE1 3.81Å; L161-F166 HydrophobicContact CD2-CE2 4.34Å; L161-F166 HydrophobicContact CD2-CZ 3.72Å; H163-F166 HydrophobicContact CB-CB 4.23Å; H163-F166 VanDerWaalsContact O-CB 3.27Å; H163-F166 WeakPolarHBondContact O-CB 3.48Å; H163-F166 PolarHBondContact O-N 3.31Å; F166-T170 WeakPolarHBondContact O-CA 3.39Å; F166-T170 WeakPolarHBondContact O-CB 3.37Å; F166-T170 PolarHBondContact O-OG1 3.43Å; F166-L204 HydrophobicContact CE2-CD1 4.21Å; F166-L204 HydrophobicContact CE2-CD2 3.57Å; F166-L204 HydrophobicContact CZ-CD1 3.99Å; F166-L204 HydrophobicContact CZ-CD2 3.94Å; F166-V206 HydrophobicContact CZ-CG2 4.26Å
167	L	95.4	Very high	97.9	Very high	56 Å²	56	46.4 Å²	46.4	29%	0.293	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-17.5	179.1	-64.9	-174.8	0	0	0	114	I129 D130 D165 V206	I129-L167 HydrophobicContact CB-CD1 4.12Å; I129-L167 HydrophobicContact CG2-CD1 3.58Å; I129-L167 HydrophobicContact CG2-CG 4.37Å; D130-L167 HydrophobicContact CB-CD1 4.38Å; D165-L167 VanDerWaalsContact C-N 3.33Å; D165-L167 PolarHBondContact O-N 3.12Å; L167-V206 HydrophobicContact CD2-CG1 3.65Å
168	T	95.8	Very high	97.9	Very high	112 Å²	112	46.3 Å²	46.3	69%	0.687	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-36.3	-175.6	47.7	0	0	0	0	112.6	D165	D165-T168 WeakPolarHBondContact CA-OG1 3.37Å; D165-T168 PolarHBondContact O-N 3.39Å; D165-T168 PolarHBondContact O-OG1 2.82Å; D165-T168 PolarHBondContact OD1-OG1 3.16Å
169	D	97.2	Very high	97.9	Very high	74 Å²	74	49.2 Å²	49.2	40%	0.396	26%	0.257	S	S	.	.			trans	-144.6	75.9	173.6	-168.2	-20.7	0	0	0	109.4	D165 K171 L172 A173	D165-D169 HydrophobicContact CB-CB 4.36Å; D165-D169 CarbonylContact O-C 3.55Å; D165-D169 PolarHBondContact O-N 2.82Å; D169-K171 PolarHBondContact O-N 2.88Å; D169-L172 HydrophobicContact CB-CB 3.95Å; D169-L172 HydrophobicContact CB-CD2 4.49Å; D169-L172 PolarHBondContact O-N 3.27Å; D169-L172 WeakPolarHBondContact OD1-CB 3.43Å; D169-L172 PolarHBondContact OD1-N 2.79Å; D169-A173 PolarHBondContact O-N 2.82Å
170	T	97.5	Very high	97.9	Very high	6 Å²	6	52.9 Å²	52.9	4%	0.037	27%	0.271	C	S	.	.	H	α-helix	trans	-58.8	-33.6	-176	-52.3	0	0	0	0	112.6	F166 A173 I174 L204 V206 Y211	F166-T170 WeakPolarHBondContact O-CA 3.39Å; F166-T170 WeakPolarHBondContact O-CB 3.37Å; F166-T170 PolarHBondContact O-OG1 3.43Å; T170-A173 PolarHBondContact O-N 2.83Å; T170-I174 HydrophobicContact CG2-CD1 4.03Å; T170-I174 HydrophobicContact CG2-CG1 4.48Å; T170-I174 WeakPolarHBondContact O-CB 3.26Å; T170-I174 WeakPolarHBondContact O-CD1 3.32Å; T170-I174 WeakPolarHBondContact O-CG1 3.48Å; T170-I174 PolarHBondContact O-N 3.42Å; T170-L204 HydrophobicContact CG2-CD2 3.41Å; T170-L204 VanDerWaalsContact CG2-CD2 3.41Å; T170-V206 HydrophobicContact CG2-CG2 4.45Å; T170-Y211 HydrophobicContact CG2-CD1 4.02Å; T170-Y211 HydrophobicContact CG2-CD2 3.9Å; T170-Y211 HydrophobicContact CG2-CE1 3.97Å; T170-Y211 HydrophobicContact CG2-CE2 3.9Å; T170-Y211 HydrophobicContact CG2-CG 4.01Å
171	K	98.1	Very high	97.9	Very high	77 Å²	77	52.7 Å²	52.7	34%	0.335	27%	0.27	S	S	.	.	H	α-helix	trans	-64.7	-49.5	176.1	-99.2	178.8	176.1	147.4	0	111.4	D169 A173 I174 S175 Y211 I286 E288	D169-K171 PolarHBondContact O-N 2.88Å; K171-A173 VanDerWaalsContact C-N 3.32Å; K171-A173 PolarHBondContact O-N 2.89Å; K171-I174 PolarHBondContact O-N 3.07Å; K171-S175 PolarHBondContact O-N 2.79Å; K171-Y211 HydrophobicContact CG-CD1 4.33Å; K171-Y211 HydrophobicContact CG-CE1 4.46Å; K171-I286 HydrophobicContact CB-CD1 4.48Å; K171-I286 HydrophobicContact CG-CB 4.37Å; K171-I286 HydrophobicContact CG-CD1 4.21Å; K171-I286 HydrophobicContact CG-CG2 3.87Å; K171-I286 WeakPolarHBondContact O-CD1 3.4Å; K171-E288 WeakPolarHBondContact CD-OE1 3.44Å; K171-E288 WeakPolarHBondContact CE-OE1 3.45Å; K171-E288 WeakPolarHBondContact CG-OE1 3.31Å; K171-E288 IonicContact NZ-OE1 3.96Å; K171-E288 PolarHBondContact NZ-OE1 2.86Å; K171-E288 IonicContact NZ-OE2 3.75Å; K171-E288 PolarHBondContact NZ-OE2 3.01Å
172	L	98.4	Very high	97.9	Very high	64 Å²	64	51.2 Å²	51.2	34%	0.335	26%	0.263	S	S	.	.	H	α-helix	trans	-57.9	-48.2	175.3	179.6	66.2	0	0	0	110.7	D169 I174 S175 E176	D169-L172 HydrophobicContact CB-CB 3.95Å; D169-L172 HydrophobicContact CB-CD2 4.49Å; D169-L172 PolarHBondContact O-N 3.27Å; D169-L172 WeakPolarHBondContact OD1-CB 3.43Å; D169-L172 PolarHBondContact OD1-N 2.79Å; L172-I174 VanDerWaalsContact C-N 3.3Å; L172-I174 PolarHBondContact O-N 3.14Å; L172-S175 PolarHBondContact O-N 3.45Å; L172-E176 HydrophobicContact CD1-CG 3.96Å; L172-E176 HydrophobicContact CG-CG 4.35Å; L172-E176 PolarHBondContact O-N 2.74Å
173	A	98.6	Very high	97.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.3	-41.3	178.9	0	0	0	0	0	112.6	L160 H163 D169 T170 K171 T177	L160-A173 HydrophobicContact CD1-CB 4.07Å; H163-A173 HydrophobicContact CB-CB 3.95Å; H163-A173 WeakPolarHBondContact ND1-CB 3.38Å; D169-A173 PolarHBondContact O-N 2.82Å; T170-A173 PolarHBondContact O-N 2.83Å; K171-A173 VanDerWaalsContact C-N 3.32Å; K171-A173 PolarHBondContact O-N 2.89Å; A173-T177 WeakPolarHBondContact O-CB 3.15Å; A173-T177 PolarHBondContact O-N 3Å; A173-T177 PolarHBondContact O-OG1 3.13Å
174	I	98.7	Very high	97.9	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-62.7	-55.2	174.8	-71.3	164.8	0	0	0	110.5	L160 T170 K171 L172 E176 T177 Y178 L204 Y211 A213 P284 I286	L160-I174 HydrophobicContact CD1-CG1 4.05Å; L160-I174 HydrophobicContact CD2-CG1 4.17Å; T170-I174 HydrophobicContact CG2-CD1 4.03Å; T170-I174 HydrophobicContact CG2-CG1 4.48Å; T170-I174 WeakPolarHBondContact O-CB 3.26Å; T170-I174 WeakPolarHBondContact O-CD1 3.32Å; T170-I174 WeakPolarHBondContact O-CG1 3.48Å; T170-I174 PolarHBondContact O-N 3.42Å; K171-I174 PolarHBondContact O-N 3.07Å; L172-I174 VanDerWaalsContact C-N 3.3Å; L172-I174 PolarHBondContact O-N 3.14Å; I174-E176 PolarHBondContact O-N 2.86Å; I174-T177 PolarHBondContact O-N 3.15Å; I174-Y178 HydrophobicContact CG2-CD2 3.93Å; I174-Y178 HydrophobicContact CG2-CE2 3.78Å; I174-Y178 WeakPolarHBondContact O-CB 3.46Å; I174-Y178 WeakPolarHBondContact O-CD2 3.34Å; I174-Y178 PolarHBondContact O-N 3.32Å; I174-L204 HydrophobicContact CD1-CD2 4.26Å; I174-Y211 HydrophobicContact CD1-CD1 4.42Å; I174-Y211 HydrophobicContact CD1-CG 4.33Å; I174-A213 HydrophobicContact CG2-CB 3.59Å; I174-P284 HydrophobicContact CG2-CG 4.04Å; I174-I286 HydrophobicContact CB-CD1 3.83Å; I174-I286 HydrophobicContact CD1-CG2 4.44Å; I174-I286 HydrophobicContact CG2-CD1 3.55Å; I174-I286 HydrophobicContact CG2-CG1 4Å
175	S	98.7	Very high	97.9	Very high	22 Å²	22	43.3 Å²	43.3	15%	0.154	22%	0.224	C	C	.	.	H	α-helix	trans	-57.2	-48.3	-177.9	-83.4	0	0	0	0	112.4	K171 L172 Y178 Q179 E283	K171-S175 PolarHBondContact O-N 2.79Å; L172-S175 PolarHBondContact O-N 3.45Å; S175-Y178 PolarHBondContact O-N 3.24Å; S175-Q179 WeakPolarHBondContact O-CG 3.42Å; S175-Q179 PolarHBondContact O-N 3.22Å; S175-Q179 PolarHBondContact O-NE2 2.82Å; S175-E283 WeakPolarHBondContact CB-OE1 3.36Å; S175-E283 PolarHBondContact OG-OE1 3.47Å
176	E	98.7	Very high	97.8	Very high	89 Å²	89	42.1 Å²	42.1	42%	0.416	22%	0.217	S	C	.	.	H	α-helix	trans	-67.9	-40.8	-179.8	-67.9	-171.6	154.2	0	0	111.9	H163 L172 I174 Y178 Q179 K180	H163-E176 IonicContact CE1-OE2 2.66Å; H163-E176 PolarHBondContact CE1-OE2 3.07Å; H163-E176 VanDerWaalsContact CE1-OE2 3.27Å; H163-E176 IonicContact NE2-OE2 3.45Å; H163-E176 PolarHBondContact NE2-OE2 2.67Å; L172-E176 HydrophobicContact CD1-CG 3.96Å; L172-E176 HydrophobicContact CG-CG 4.35Å; L172-E176 PolarHBondContact O-N 2.74Å; I174-E176 PolarHBondContact O-N 2.86Å; E176-Y178 VanDerWaalsContact C-N 3.35Å; E176-Y178 PolarHBondContact O-N 3.02Å; E176-Q179 PolarHBondContact O-N 3.21Å; E176-K180 VanDerWaalsContact O-CB 3.24Å; E176-K180 WeakPolarHBondContact O-CB 3.17Å; E176-K180 PolarHBondContact O-N 3.35Å
177	T	98.8	Very high	97.7	Very high	5 Å²	5	49 Å²	49	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-64.2	-39.7	178.1	-63.3	0	0	0	0	111.9	L156 N159 L160 A173 I174 T181	L156-T177 HydrophobicContact CD1-CG2 4.2Å; N159-T177 HydrophobicContact CB-CG2 3.72Å; L160-T177 HydrophobicContact CB-CG2 3.94Å; L160-T177 HydrophobicContact CD1-CG2 4.47Å; A173-T177 WeakPolarHBondContact O-CB 3.15Å; A173-T177 PolarHBondContact O-N 3Å; A173-T177 PolarHBondContact O-OG1 3.13Å; I174-T177 PolarHBondContact O-N 3.15Å; T177-T181 WeakPolarHBondContact O-CB 3.45Å; T177-T181 PolarHBondContact O-N 2.81Å; T177-T181 PolarHBondContact O-OG1 2.86Å
178	Y	98.8	Very high	97.5	Very high	1 Å²	1	48.6 Å²	48.6	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-53	177.8	-89	-128.5	0	0	0	110.9	L156 I174 S175 E176 K180 T181 D182 A200 T202 A213 V215 F271 P284	L156-Y178 HydrophobicContact CD1-CD2 3.86Å; L156-Y178 HydrophobicContact CD1-CE2 4Å; L156-Y178 HydrophobicContact CD1-CG 4.44Å; L156-Y178 HydrophobicContact CD2-CE2 4.06Å; L156-Y178 HydrophobicContact CG-CE2 4.36Å; I174-Y178 HydrophobicContact CG2-CD2 3.93Å; I174-Y178 HydrophobicContact CG2-CE2 3.78Å; I174-Y178 WeakPolarHBondContact O-CB 3.46Å; I174-Y178 WeakPolarHBondContact O-CD2 3.34Å; I174-Y178 PolarHBondContact O-N 3.32Å; S175-Y178 PolarHBondContact O-N 3.24Å; E176-Y178 VanDerWaalsContact C-N 3.35Å; E176-Y178 PolarHBondContact O-N 3.02Å; Y178-K180 VanDerWaalsContact C-N 3.34Å; Y178-K180 PolarHBondContact O-N 3.49Å; Y178-T181 PolarHBondContact O-N 2.97Å; Y178-D182 PolarHBondContact O-N 2.87Å; Y178-A200 HydrophobicContact CE1-CB 4.17Å; Y178-T202 WeakPolarHBondContact OH-CB 2.8Å; Y178-T202 WeakPolarHBondContact OH-CG2 3.45Å; Y178-T202 PolarHBondContact OH-OG1 2.82Å; Y178-A213 HydrophobicContact CE1-CB 4.5Å; Y178-A213 HydrophobicContact CE2-CB 4.49Å; Y178-V215 HydrophobicContact CD1-CG2 3.71Å; Y178-V215 HydrophobicContact CE1-CG2 3.86Å; Y178-F271 AromaticContact CD1-CE2 3.74Å; Y178-F271 HydrophobicContact CD1-CE2 3.74Å; Y178-F271 AromaticContact CD1-CZ 3.36Å; Y178-F271 HydrophobicContact CD1-CZ 3.36Å; Y178-F271 AromaticContact CE1-CE2 3.95Å; Y178-F271 HydrophobicContact CE1-CE2 3.95Å; Y178-F271 AromaticContact CE1-CZ 3.88Å; Y178-F271 HydrophobicContact CE1-CZ 3.88Å; Y178-F271 AromaticContact CG-CZ 3.73Å; Y178-F271 HydrophobicContact CG-CZ 3.73Å; Y178-F271 VanDerWaalsContact O-CE1 3.26Å; Y178-F271 WeakPolarHBondContact O-CE1 3.48Å; Y178-P284 HydrophobicContact CD1-CB 3.65Å; Y178-P284 HydrophobicContact CD1-CG 3.67Å; Y178-P284 HydrophobicContact CD2-CG 4.45Å; Y178-P284 HydrophobicContact CE1-CB 3.78Å; Y178-P284 HydrophobicContact CE1-CG 4.21Å; Y178-P284 HydrophobicContact CG-CB 4.3Å; Y178-P284 HydrophobicContact CG-CG 3.82Å
179	Q	98.6	Very high	97	Very high	95 Å²	95	43.8 Å²	43.8	44%	0.444	22%	0.221	S	C	.	.	H	α-helix	trans	-61.3	-41.9	178.4	-68.6	177.4	72.4	0	0	112.3	S175 E176 D182 T183 E283	S175-Q179 WeakPolarHBondContact O-CG 3.42Å; S175-Q179 PolarHBondContact O-N 3.22Å; S175-Q179 PolarHBondContact O-NE2 2.82Å; E176-Q179 PolarHBondContact O-N 3.21Å; Q179-D182 PolarHBondContact O-N 3.43Å; Q179-T183 PolarHBondContact O-N 2.8Å; Q179-T183 PolarHBondContact O-OG1 2.87Å; Q179-E283 VanDerWaalsContact CG-OE2 3.28Å; Q179-E283 WeakPolarHBondContact CG-OE2 3.11Å; Q179-E283 PolarHBondContact NE2-OE2 3.09Å
180	K	98.6	Very high	96.1	Very high	116 Å²	116	45.2 Å²	45.2	50%	0.504	24%	0.244	S	C	.	.	H	α-helix	trans	-65	-45.2	177.4	-169.2	-168.6	-178.7	-49.7	0	111.4	E176 Y178 D182 T183 D184	E176-K180 VanDerWaalsContact O-CB 3.24Å; E176-K180 WeakPolarHBondContact O-CB 3.17Å; E176-K180 PolarHBondContact O-N 3.35Å; Y178-K180 VanDerWaalsContact C-N 3.34Å; Y178-K180 PolarHBondContact O-N 3.49Å; K180-D182 VanDerWaalsContact C-N 3.3Å; K180-D182 PolarHBondContact O-N 2.91Å; K180-T183 WeakPolarHBondContact O-CB 3.46Å; K180-T183 PolarHBondContact O-N 3.43Å; K180-T183 VanDerWaalsContact O-N 3.17Å; K180-D184 IonicContact NZ-OD1 3.83Å; K180-D184 PolarHBondContact NZ-OD1 2.95Å; K180-D184 IonicContact NZ-OD2 3.58Å; K180-D184 PolarHBondContact NZ-OD2 2.87Å; K180-D184 PolarHBondContact O-N 3.4Å
181	T	98.7	Very high	95.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-36.8	179.9	-58.1	0	0	0	0	111.2	Y151 L152 L156 N159 T177 Y178 F185	Y151-T181 HydrophobicContact CD1-CG2 4.23Å; Y151-T181 HydrophobicContact CE1-CG2 3.95Å; L152-T181 HydrophobicContact CD2-CG2 3.82Å; L156-T181 HydrophobicContact CB-CG2 4.47Å; L156-T181 HydrophobicContact CD1-CG2 4.1Å; N159-T181 PolarHBondContact ND2-OG1 3.18Å; N159-T181 VanDerWaalsContact ND2-OG1 3.16Å; T177-T181 WeakPolarHBondContact O-CB 3.45Å; T177-T181 PolarHBondContact O-N 2.81Å; T177-T181 PolarHBondContact O-OG1 2.86Å; Y178-T181 PolarHBondContact O-N 2.97Å; T181-F185 WeakPolarHBondContact O-CB 3.15Å; T181-F185 PolarHBondContact O-N 2.84Å
182	D	98.4	Very high	94.4	Very high	13 Å²	13	46.4 Å²	46.4	7%	0.07	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-45.5	172.2	-170.1	47	0	0	0	111.9	Y178 Q179 K180 F185 L186 F271 G272 K277 A282	Y178-D182 PolarHBondContact O-N 2.87Å; Q179-D182 PolarHBondContact O-N 3.43Å; K180-D182 VanDerWaalsContact C-N 3.3Å; K180-D182 PolarHBondContact O-N 2.91Å; D182-F185 PolarHBondContact O-N 2.8Å; D182-L186 WeakPolarHBondContact O-CB 3.33Å; D182-L186 VanDerWaalsContact O-CG 3.25Å; D182-L186 WeakPolarHBondContact O-CG 3.43Å; D182-L186 PolarHBondContact O-N 2.9Å; D182-F271 HydrophobicContact CB-CD1 3.73Å; D182-F271 HydrophobicContact CB-CE1 4.2Å; D182-F271 VanDerWaalsContact OD1-CA 3.27Å; D182-F271 WeakPolarHBondContact OD1-CA 3.19Å; D182-G272 PolarHBondContact OD1-N 2.93Å; D182-K277 IonicContact OD1-NZ 3.87Å; D182-K277 WeakPolarHBondContact OD2-CE 3.39Å; D182-K277 IonicContact OD2-NZ 2.78Å; D182-K277 PolarHBondContact OD2-NZ 2.98Å; D182-A282 HydrophobicContact CB-CB 3.53Å; D182-A282 VanDerWaalsContact CG-CB 3.48Å; D182-A282 WeakPolarHBondContact OD2-CB 3.38Å
183	T	97.5	Very high	93.5	Very high	67 Å²	67	51.9 Å²	51.9	41%	0.411	29%	0.287	S	S	.	.	H	α-helix	trans	-61.9	-49.3	177.1	-56.9	0	0	0	0	111	Q179 K180 F185 L186 E187	Q179-T183 PolarHBondContact O-N 2.8Å; Q179-T183 PolarHBondContact O-OG1 2.87Å; K180-T183 WeakPolarHBondContact O-CB 3.46Å; K180-T183 PolarHBondContact O-N 3.43Å; K180-T183 VanDerWaalsContact O-N 3.17Å; T183-F185 VanDerWaalsContact C-N 3.33Å; T183-F185 PolarHBondContact O-N 2.81Å; T183-L186 PolarHBondContact O-N 2.86Å; T183-E187 WeakPolarHBondContact O-CG 3.44Å; T183-E187 PolarHBondContact O-N 3.24Å
184	D	97.4	Very high	92.9	Very high	38 Å²	38	56.4 Å²	56.4	20%	0.203	30%	0.304	C	S	.	.	H	α-helix	trans	-60.8	-41.5	179.1	-63.9	-16.6	0	0	0	111.1	Y151 K180 E187 S188	Y151-D184 WeakPolarHBondContact OH-CB 3.04Å; K180-D184 IonicContact NZ-OD1 3.83Å; K180-D184 PolarHBondContact NZ-OD1 2.95Å; K180-D184 IonicContact NZ-OD2 3.58Å; K180-D184 PolarHBondContact NZ-OD2 2.87Å; K180-D184 PolarHBondContact O-N 3.4Å; D184-E187 PolarHBondContact O-N 3.13Å; D184-S188 WeakPolarHBondContact O-CB 3.36Å; D184-S188 PolarHBondContact O-N 3.32Å
185	F	97.1	Very high	92.6	Very high	7 Å²	7	58.1 Å²	58.1	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-60.3	-51	175	171.8	-114	0	0	0	111.1	R147 A148 Y151 T181 D182 T183 E187 S188 E189 D196	R147-F185 HydrophobicContact CG-CE2 4.33Å; A148-F185 VanDerWaalsContact CA-CZ 3.49Å; A148-F185 HydrophobicContact CB-CD1 4.46Å; A148-F185 HydrophobicContact CB-CE1 3.69Å; A148-F185 HydrophobicContact CB-CE2 4.27Å; A148-F185 HydrophobicContact CB-CZ 3.58Å; Y151-F185 HydrophobicContact CD1-CB 3.69Å; Y151-F185 AromaticContact CD1-CD2 3.97Å; Y151-F185 HydrophobicContact CD1-CD2 3.97Å; Y151-F185 HydrophobicContact CD1-CG 4.2Å; Y151-F185 AromaticContact CD2-CD2 3.9Å; Y151-F185 HydrophobicContact CD2-CD2 3.9Å; Y151-F185 HydrophobicContact CE1-CB 3.73Å; Y151-F185 HydrophobicContact CG-CB 4.18Å; Y151-F185 AromaticContact CG-CD2 3.58Å; Y151-F185 HydrophobicContact CG-CD2 3.58Å; Y151-F185 HydrophobicContact CG-CE2 4.45Å; Y151-F185 HydrophobicContact CG-CG 4.27Å; T181-F185 WeakPolarHBondContact O-CB 3.15Å; T181-F185 PolarHBondContact O-N 2.84Å; D182-F185 PolarHBondContact O-N 2.8Å; T183-F185 VanDerWaalsContact C-N 3.33Å; T183-F185 PolarHBondContact O-N 2.81Å; F185-E187 PolarHBondContact O-N 2.9Å; F185-S188 PolarHBondContact O-N 2.8Å; F185-S188 PolarHBondContact O-OG 2.85Å; F185-E189 HydrophobicContact CE2-CG 4Å; F185-E189 HydrophobicContact CZ-CG 4.06Å; F185-E189 PolarHBondContact O-N 2.82Å; F185-D196 HydrophobicContact CZ-CB 4.46Å
186	L	95.6	Very high	92.5	Very high	34 Å²	34	57.5 Å²	57.5	18%	0.178	31%	0.308	C	S	.	.	H	α-helix	trans	-60.7	-33.3	178.5	-70.9	171.1	0	0	0	111.6	D182 T183 R274 K277	D182-L186 WeakPolarHBondContact O-CB 3.33Å; D182-L186 VanDerWaalsContact O-CG 3.25Å; D182-L186 WeakPolarHBondContact O-CG 3.43Å; D182-L186 PolarHBondContact O-N 2.9Å; T183-L186 PolarHBondContact O-N 2.86Å; L186-R274 HydrophobicContact CD2-CB 3.73Å; L186-R274 HydrophobicContact CD2-CG 4.27Å; L186-R274 PolarHBondContact O-NH2 2.7Å; L186-K277 HydrophobicContact CD1-CG 4.24Å
187	E	94.5	Very high	92.5	Very high	151 Å²	151	53.3 Å²	53.3	71%	0.706	29%	0.288	S	S	*	.	H	α-helix	trans	-78.9	-31.1	176.8	-70.7	-179.9	174.2	0	0	113.2	T183 D184 F185 E189	T183-E187 WeakPolarHBondContact O-CG 3.44Å; T183-E187 PolarHBondContact O-N 3.24Å; D184-E187 PolarHBondContact O-N 3.13Å; F185-E187 PolarHBondContact O-N 2.9Å; E187-E189 PolarHBondContact O-N 2.92Å
188	S	91.6	Very high	92.4	Very high	49 Å²	49	53 Å²	53	34%	0.343	29%	0.287	S	S	.	.	H	α-helix	trans	-66.9	-18	176.5	81.1	0	0	0	0	113.4	D184 F185 A190	D184-S188 WeakPolarHBondContact O-CB 3.36Å; D184-S188 PolarHBondContact O-N 3.32Å; F185-S188 PolarHBondContact O-N 2.8Å; F185-S188 PolarHBondContact O-OG 2.85Å; S188-A190 PolarHBondContact O-N 2.85Å
189	E	85.5	Confident	92.5	Very high	10 Å²	10	53 Å²	53	5%	0.047	29%	0.287	C	S	.	.			trans	-85.2	97.5	-175.9	-81	-63.6	172.2	0	0	112.9	R147 F185 E187 S191 R194 R274	R147-E189 WeakPolarHBondContact CD-OE1 3.47Å; R147-E189 IonicContact CZ-OE1 2.67Å; R147-E189 IonicContact CZ-OE2 3.07Å; R147-E189 IonicContact NE-OE1 3.05Å; R147-E189 PolarHBondContact NE-OE1 2.85Å; R147-E189 IonicContact NH1-OE1 3.03Å; R147-E189 PolarHBondContact NH1-OE1 3.43Å; R147-E189 IonicContact NH1-OE2 2.88Å; R147-E189 PolarHBondContact NH1-OE2 3.34Å; R147-E189 IonicContact NH2-OE1 2.82Å; F185-E189 HydrophobicContact CE2-CG 4Å; F185-E189 HydrophobicContact CZ-CG 4.06Å; F185-E189 PolarHBondContact O-N 2.82Å; E187-E189 PolarHBondContact O-N 2.92Å; E189-S191 VanDerWaalsContact C-N 3.27Å; E189-S191 PolarHBondContact O-N 3.06Å; E189-R194 WeakPolarHBondContact OE1-CD 3.15Å; E189-R194 IonicContact OE1-NE 3.43Å; E189-R194 WeakPolarHBondContact OE2-CD 3.17Å; E189-R194 IonicContact OE2-NE 3.63Å; E189-R194 PolarHBondContact OE2-NE 2.88Å; E189-R274 PolarHBondContact O-NH2 2.81Å
190	A	77.6	Confident	92.5	Very high	105 Å²	105	48.5 Å²	48.5	87%	0.868	27%	0.265	S	S	*	.			trans	-63.1	-29.3	179.6	0	0	0	0	0	113.9	S188 A192	S188-A190 PolarHBondContact O-N 2.85Å; A190-A192 PolarHBondContact O-N 2.88Å
191	S	83.5	Confident	92.5	Very high	53 Å²	53	43 Å²	43	37%	0.371	24%	0.241	S	C	.	.			trans	-86.4	112.4	178.4	177.9	0	0	0	0	110.3	E189 F193 R194	E189-S191 VanDerWaalsContact C-N 3.27Å; E189-S191 PolarHBondContact O-N 3.06Å; S191-F193 PolarHBondContact O-N 2.95Å; S191-F193 PolarHBondContact OG-N 3.06Å; S191-R194 PolarHBondContact O-N 2.86Å; S191-R194 VanDerWaalsContact O-N 3.15Å; S191-R194 PolarHBondContact OG-N 3.05Å
192	A	77.3	Confident	92.5	Very high	55 Å²	55	43.2 Å²	43.2	46%	0.455	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-10.8	173.1	0	0	0	0	0	114.4	A190	A190-A192 PolarHBondContact O-N 2.88Å
193	F	78.8	Confident	92.5	Very high	178 Å²	178	42.6 Å²	42.6	78%	0.781	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	-5.5	179.7	-57	-70.9	0	0	0	113.5	S191	S191-F193 PolarHBondContact O-N 2.95Å; S191-F193 PolarHBondContact OG-N 3.06Å
194	R	86	Confident	92.5	Very high	96 Å²	96	39.6 Å²	39.6	36%	0.362	22%	0.221	S	C	.	.			trans	-77.8	131.1	173.5	-169.7	-174.8	-72.9	-109.6	2	108.5	E189 S191 D196	E189-R194 WeakPolarHBondContact OE1-CD 3.15Å; E189-R194 IonicContact OE1-NE 3.43Å; E189-R194 WeakPolarHBondContact OE2-CD 3.17Å; E189-R194 IonicContact OE2-NE 3.63Å; E189-R194 PolarHBondContact OE2-NE 2.88Å; S191-R194 PolarHBondContact O-N 2.86Å; S191-R194 VanDerWaalsContact O-N 3.15Å; S191-R194 PolarHBondContact OG-N 3.05Å; R194-D196 WeakPolarHBondContact CD-OD1 3.11Å; R194-D196 HydrophobicContact CG-CB 4.36Å; R194-D196 WeakPolarHBondContact CG-OD1 3.46Å; R194-D196 IonicContact NH1-OD1 3.64Å; R194-D196 IonicContact NH1-OD2 3.07Å; R194-D196 PolarHBondContact NH1-OD2 2.8Å
195	D	92.9	Very high	92.6	Very high	37 Å²	37	38 Å²	38	20%	0.198	21%	0.213	C	C	.	.			trans	-131.8	23.7	-174.9	-158.3	44.9	0	0	0	112	N273 R274 L275	D195-N273 PolarHBondContact O-ND2 3.02Å; D195-N273 VanDerWaalsContact O-ND2 3.13Å; D195-N273 VanDerWaalsContact OD1-CA 3.26Å; D195-N273 WeakPolarHBondContact OD1-CA 3.31Å; D195-R274 PolarHBondContact OD1-N 2.86Å; D195-L275 HydrophobicContact CB-CD1 4.14Å; D195-L275 HydrophobicContact CB-CG 4.3Å; D195-L275 PolarHBondContact OD1-N 2.99Å
196	D	96	Very high	92.5	Very high	9 Å²	9	38 Å²	38	5%	0.048	21%	0.213	C	C	.	.			trans	-49.6	141.7	171.8	-57.6	28.4	0	0	0	109.1	H143 G145 R147 A148 F185 R194 G272 N273	H143-D196 WeakPolarHBondContact O-CA 3.39Å; G145-D196 WeakPolarHBondContact CA-OD2 3.44Å; R147-D196 VanDerWaalsContact CB-OD2 3.24Å; R147-D196 WeakPolarHBondContact CB-OD2 3.47Å; R147-D196 PolarHBondContact N-OD2 2.83Å; A148-D196 HydrophobicContact CB-CB 4.23Å; F185-D196 HydrophobicContact CZ-CB 4.46Å; R194-D196 WeakPolarHBondContact CD-OD1 3.11Å; R194-D196 HydrophobicContact CG-CB 4.36Å; R194-D196 WeakPolarHBondContact CG-OD1 3.46Å; R194-D196 IonicContact NH1-OD1 3.64Å; R194-D196 IonicContact NH1-OD2 3.07Å; R194-D196 PolarHBondContact NH1-OD2 2.8Å; D196-G272 WeakPolarHBondContact O-CA 3.35Å; D196-N273 PolarHBondContact O-N 3.35Å
197	G	98.3	Very high	92.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	173.1	171.5	0	0	0	0	0	111.1	G142 H143 A148 F271	G142-G197 WeakPolarHBondContact CA-O 3.32Å; H143-G197 PolarHBondContact N-O 3.37Å; H143-G197 WeakPolarHBondContact NE2-CA 3.48Å; H143-G197 PolarHBondContact O-N 3.05Å; A148-G197 VanDerWaalsContact CB-C 3.43Å; G197-F271 CarbonylContact C-O 3.58Å; G197-F271 WeakPolarHBondContact CA-O 3.32Å
198	S	98.8	Very high	92.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	147.2	179	-174.4	0	0	0	0	110.8	D141 A149 A270 F271	D141-S198 CarbonylContact O-C 3.54Å; D141-S198 VanDerWaalsContact O-CA 3.23Å; D141-S198 WeakPolarHBondContact O-CA 3.42Å; D141-S198 PolarHBondContact O-OG 3.43Å; A149-S198 WeakPolarHBondContact CA-OG 3.31Å; A149-S198 WeakPolarHBondContact CB-OG 3.46Å; S198-A270 WeakPolarHBondContact O-CA 3.43Å; S198-F271 PolarHBondContact N-O 3.21Å; S198-F271 VanDerWaalsContact N-O 3.07Å; S198-F271 PolarHBondContact O-N 3.26Å
199	T	98.9	Very high	92.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.205	C	C	.	.			trans	-70.7	168.9	158.1	77	0	0	0	0	109.9	D141 V215 S218 M267	D141-T199 HydrophobicContact CB-CG2 3.89Å; D141-T199 VanDerWaalsContact CB-OG1 3.24Å; D141-T199 WeakPolarHBondContact CB-OG1 3.43Å; D141-T199 PolarHBondContact N-OG1 2.88Å; D141-T199 PolarHBondContact O-N 3.27Å; T199-V215 CarbonylContact C-O 3.55Å; T199-V215 VanDerWaalsContact CA-O 3.25Å; T199-V215 WeakPolarHBondContact CA-O 3.3Å; T199-V215 VanDerWaalsContact CB-O 3.29Å; T199-V215 WeakPolarHBondContact CB-O 3.42Å; T199-S218 PolarHBondContact OG1-OG 3.1Å; T199-M267 HydrophobicContact CG2-CE 4.09Å; T199-M267 HydrophobicContact CG2-SD 3.78Å
200	A	98.9	Very high	93.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	115.3	159.7	0	0	0	0	0	108.9	V139 F140 L152 Y178 T202 N214 V215 F271	V139-A200 WeakPolarHBondContact O-CA 3.31Å; F140-A200 HydrophobicContact CD1-CB 3.83Å; F140-A200 HydrophobicContact CE1-CB 3.96Å; L152-A200 HydrophobicContact CD1-CB 4.31Å; Y178-A200 HydrophobicContact CE1-CB 4.17Å; A200-T202 HydrophobicContact CB-CG2 4.49Å; A200-N214 CarbonylContact O-C 3.49Å; A200-N214 WeakPolarHBondContact O-CA 3.22Å; A200-V215 PolarHBondContact N-O 3.46Å; A200-V215 PolarHBondContact O-N 3.03Å; A200-F271 HydrophobicContact CB-CD2 4.09Å; A200-F271 HydrophobicContact CB-CE2 3.54Å; A200-F271 HydrophobicContact CB-CZ 4.45Å
201	S	98.9	Very high	94.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	112.8	165.1	-157.2	0	0	0	0	107.7	G138 V139 N214 L300	G138-S201 WeakPolarHBondContact CA-O 3.31Å; V139-S201 PolarHBondContact N-O 2.75Å; V139-S201 PolarHBondContact O-N 2.99Å; S201-N214 WeakPolarHBondContact CB-OD1 3.4Å; S201-N214 PolarHBondContact OG-OD1 3.1Å; S201-L300 WeakPolarHBondContact O-CD2 3.27Å
202	T	98.9	Very high	94.9	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.031	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	149.6	-175.9	70.9	0	0	0	0	112.1	F137 F140 L156 F157 Y178 A200 V212 A213	F137-T202 CarbonylContact O-C 3.59Å; F137-T202 WeakPolarHBondContact O-CA 3.38Å; F137-T202 WeakPolarHBondContact O-CB 3.39Å; F140-T202 HydrophobicContact CE1-CG2 4.11Å; L156-T202 HydrophobicContact CD2-CG2 4.16Å; F157-T202 HydrophobicContact CE1-CG2 3.85Å; F157-T202 HydrophobicContact CZ-CG2 3.97Å; Y178-T202 WeakPolarHBondContact OH-CB 2.8Å; Y178-T202 WeakPolarHBondContact OH-CG2 3.45Å; Y178-T202 PolarHBondContact OH-OG1 2.82Å; A200-T202 HydrophobicContact CB-CG2 4.49Å; T202-V212 CarbonylContact O-C 3.59Å; T202-V212 VanDerWaalsContact O-CA 3.31Å; T202-V212 WeakPolarHBondContact O-CA 3.38Å; T202-A213 PolarHBondContact N-O 3.12Å; T202-A213 PolarHBondContact O-N 3.22Å; T202-A213 PolarHBondContact OG1-O 2.98Å
203	A	98.7	Very high	95.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	131.4	171.5	0	0	0	0	0	109.4	L136 F137 L210 Y211 V212 L298 L300	L136-A203 CarbonylContact C-O 3.55Å; L136-A203 WeakPolarHBondContact CA-O 3.28Å; F137-A203 HydrophobicContact CB-CB 4.42Å; F137-A203 HydrophobicContact CD2-CB 4.23Å; F137-A203 PolarHBondContact N-O 2.91Å; F137-A203 PolarHBondContact O-N 3.22Å; A203-L210 HydrophobicContact CB-CD1 4.12Å; A203-Y211 CarbonylContact C-O 3.52Å; A203-Y211 WeakPolarHBondContact CA-O 3.48Å; A203-V212 HydrophobicContact CB-CG2 4.26Å; A203-L298 HydrophobicContact CB-CD2 3.48Å; A203-L298 VanDerWaalsContact CB-CD2 3.48Å; A203-L300 HydrophobicContact CB-CD1 4.12Å; A203-L300 HydrophobicContact CB-CD2 3.85Å; A203-L300 HydrophobicContact CB-CG 4.49Å
204	L	98.3	Very high	96.9	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.021	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	118.7	180	177.9	69.1	0	0	0	108.8	V134 S135 L136 L160 F166 T170 I174 V206 L210 Y211	V134-L204 HydrophobicContact CG1-CD1 3.89Å; S135-L204 CarbonylContact O-C 3.53Å; S135-L204 WeakPolarHBondContact O-CA 3.43Å; L136-L204 HydrophobicContact CB-CD1 4.29Å; L136-L204 HydrophobicContact CD1-CD1 4.43Å; L136-L204 HydrophobicContact CD2-CD1 3.42Å; L136-L204 VanDerWaalsContact CD2-CD1 3.42Å; L136-L204 HydrophobicContact CG-CD1 3.38Å; L160-L204 HydrophobicContact CD2-CD2 4.26Å; F166-L204 HydrophobicContact CE2-CD1 4.21Å; F166-L204 HydrophobicContact CE2-CD2 3.57Å; F166-L204 HydrophobicContact CZ-CD1 3.99Å; F166-L204 HydrophobicContact CZ-CD2 3.94Å; T170-L204 HydrophobicContact CG2-CD2 3.41Å; T170-L204 VanDerWaalsContact CG2-CD2 3.41Å; I174-L204 HydrophobicContact CD1-CD2 4.26Å; L204-V206 HydrophobicContact CD1-CG2 4.29Å; L204-V206 HydrophobicContact CD2-CG2 3.85Å; L204-V206 HydrophobicContact CG-CG2 3.78Å; L204-L210 CarbonylContact O-C 3.56Å; L204-L210 WeakPolarHBondContact O-CA 3.17Å; L204-Y211 PolarHBondContact N-O 2.86Å; L204-Y211 PolarHBondContact O-N 3.2Å
205	L	97.5	Very high	97.5	Very high	6 Å²	6	13.6 Å²	13.6	3%	0.031	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	112.4	173.7	-179.5	64.2	0	0	0	108.9	L104 V134 S135 G207 H209 L210 V291 F351	L104-L205 HydrophobicContact CD1-CD2 4.13Å; L104-L205 HydrophobicContact CD2-CD2 3.96Å; V134-L205 CarbonylContact C-O 3.55Å; V134-L205 VanDerWaalsContact CA-O 3.26Å; V134-L205 WeakPolarHBondContact CA-O 3.26Å; S135-L205 PolarHBondContact N-O 3.01Å; S135-L205 PolarHBondContact O-N 3.41Å; L205-G207 WeakPolarHBondContact CG-O 3.43Å; L205-H209 WeakPolarHBondContact CA-O 3.43Å; L205-L210 HydrophobicContact CD1-CB 4.44Å; L205-V291 HydrophobicContact CD1-CG2 3.57Å; L205-F351 HydrophobicContact CD2-CE1 4.4Å
206	V	96	Very high	97.8	Very high	6 Å²	6	11.8 Å²	11.8	4%	0.036	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	101.7	176.3	-176.1	0	0	0	0	108	Q132 V134 F166 L167 T170 L204 D208 H209 Y211	Q132-V206 HydrophobicContact CG-CG1 4.11Å; Q132-V206 PolarHBondContact NE2-O 3.46Å; V134-V206 HydrophobicContact CG2-CG1 4.47Å; F166-V206 HydrophobicContact CZ-CG2 4.26Å; L167-V206 HydrophobicContact CD2-CG1 3.65Å; T170-V206 HydrophobicContact CG2-CG2 4.45Å; L204-V206 HydrophobicContact CD1-CG2 4.29Å; L204-V206 HydrophobicContact CD2-CG2 3.85Å; L204-V206 HydrophobicContact CG-CG2 3.78Å; V206-D208 PolarHBondContact O-N 2.86Å; V206-H209 PolarHBondContact N-O 3.05Å; V206-H209 PolarHBondContact O-N 2.85Å; V206-Y211 HydrophobicContact CB-CE2 4.41Å; V206-Y211 HydrophobicContact CG2-CE2 4.38Å
207	G	93	Very high	97.9	Very high	26 Å²	26	11.5 Å²	11.5	27%	0.268	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	-106.4	-166	0	0	0	0	0	111	A133 L205	A133-G207 PolarHBondContact O-N 3.05Å; L205-G207 WeakPolarHBondContact CG-O 3.43Å
208	D	93.1	Very high	97.9	Very high	78 Å²	78	11.5 Å²	11.5	42%	0.417	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	4.6	177.9	59	-0.8	0	0	0	113.3	V206 Q290 V291	V206-D208 PolarHBondContact O-N 2.86Å; D208-Q290 PolarHBondContact O-NE2 3.45Å; D208-Q290 PolarHBondContact OD1-NE2 2.89Å; D208-Q290 PolarHBondContact OD2-NE2 2.91Å; D208-V291 WeakPolarHBondContact O-CB 3.35Å; D208-V291 WeakPolarHBondContact O-CG2 3.21Å; D208-V291 PolarHBondContact O-N 2.67Å
209	H	96.7	Very high	97.9	Very high	80 Å²	80	13.7 Å²	13.7	37%	0.37	7%	0.072	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.8	176.1	-67	64.3	0	0	0	110	L205 V206 Y211 Q290	L205-H209 WeakPolarHBondContact CA-O 3.43Å; V206-H209 PolarHBondContact N-O 3.05Å; V206-H209 PolarHBondContact O-N 2.85Å; H209-Y211 HydrophobicContact CB-CE2 3.72Å; H209-Q290 PolarHBondContact CD2-OE1 3.47Å; H209-Q290 PolarHBondContact CE1-OE1 2.96Å; H209-Q290 VanDerWaalsContact CE1-OE1 3.29Å; H209-Q290 PolarHBondContact NE2-OE1 3.45Å
210	L	98.1	Very high	97.9	Very high	3 Å²	3	13.7 Å²	13.7	2%	0.016	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125	178.1	176.3	66.9	0	0	0	110	A203 L204 L205 V212 I222 L231 E288 E289 V291 L298 F351	A203-L210 HydrophobicContact CB-CD1 4.12Å; L204-L210 CarbonylContact O-C 3.56Å; L204-L210 WeakPolarHBondContact O-CA 3.17Å; L205-L210 HydrophobicContact CD1-CB 4.44Å; L210-V212 HydrophobicContact CD1-CG2 4.49Å; L210-V212 HydrophobicContact CD2-CG2 4.42Å; L210-V212 HydrophobicContact CG-CG2 4.28Å; L210-I222 HydrophobicContact CD2-CD1 3.69Å; L210-L231 HydrophobicContact CD2-CD1 3.97Å; L210-E288 CarbonylContact O-C 3.58Å; L210-E288 VanDerWaalsContact O-CA 3.31Å; L210-E288 WeakPolarHBondContact O-CA 3.2Å; L210-E289 WeakPolarHBondContact CB-O 3.37Å; L210-E289 PolarHBondContact N-O 3.41Å; L210-E289 PolarHBondContact O-N 3.45Å; L210-V291 HydrophobicContact CB-CG2 4.14Å; L210-L298 HydrophobicContact CD1-CD2 4.25Å; L210-L298 HydrophobicContact CD2-CD2 4.35Å; L210-F351 HydrophobicContact CD2-CZ 4.34Å
211	Y	98.7	Very high	97.9	Very high	28 Å²	28	13.7 Å²	13.7	11%	0.11	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	126.7	172.4	-55.1	-105.3	0	0	0	108.3	T170 K171 I174 A203 L204 V206 H209 Q287 E288	T170-Y211 HydrophobicContact CG2-CD1 4.02Å; T170-Y211 HydrophobicContact CG2-CD2 3.9Å; T170-Y211 HydrophobicContact CG2-CE1 3.97Å; T170-Y211 HydrophobicContact CG2-CE2 3.9Å; T170-Y211 HydrophobicContact CG2-CG 4.01Å; K171-Y211 HydrophobicContact CG-CD1 4.33Å; K171-Y211 HydrophobicContact CG-CE1 4.46Å; I174-Y211 HydrophobicContact CD1-CD1 4.42Å; I174-Y211 HydrophobicContact CD1-CG 4.33Å; A203-Y211 CarbonylContact C-O 3.52Å; A203-Y211 WeakPolarHBondContact CA-O 3.48Å; L204-Y211 PolarHBondContact N-O 2.86Å; L204-Y211 PolarHBondContact O-N 3.2Å; V206-Y211 HydrophobicContact CB-CE2 4.41Å; V206-Y211 HydrophobicContact CG2-CE2 4.38Å; H209-Y211 HydrophobicContact CB-CE2 3.72Å; Y211-Q287 CarbonylContact C-O 3.6Å; Y211-Q287 WeakPolarHBondContact CA-O 3.37Å; Y211-E288 HydrophobicContact CD1-CG 3.41Å; Y211-E288 VanDerWaalsContact CD1-CG 3.41Å; Y211-E288 WeakPolarHBondContact CD1-OE1 3.39Å; Y211-E288 VanDerWaalsContact CE1-CD 3.49Å; Y211-E288 HydrophobicContact CE1-CG 3.57Å; Y211-E288 WeakPolarHBondContact CE1-OE1 3.13Å; Y211-E288 HydrophobicContact CG-CG 4.2Å
212	V	98.8	Very high	97.9	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.006	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	119.7	172.9	172.1	0	0	0	0	108.4	T202 A203 L210 A220 L231 I286 Q287	T202-V212 CarbonylContact O-C 3.59Å; T202-V212 VanDerWaalsContact O-CA 3.31Å; T202-V212 WeakPolarHBondContact O-CA 3.38Å; A203-V212 HydrophobicContact CB-CG2 4.26Å; L210-V212 HydrophobicContact CD1-CG2 4.49Å; L210-V212 HydrophobicContact CD2-CG2 4.42Å; L210-V212 HydrophobicContact CG-CG2 4.28Å; V212-A220 HydrophobicContact CG1-CB 3.55Å; V212-L231 HydrophobicContact CB-CB 3.96Å; V212-L231 HydrophobicContact CB-CD1 4.46Å; V212-L231 HydrophobicContact CG1-CB 3.91Å; V212-L231 HydrophobicContact CG2-CB 3.92Å; V212-L231 HydrophobicContact CG2-CD1 3.61Å; V212-L231 HydrophobicContact CG2-CG 4.43Å; V212-I286 CarbonylContact O-C 3.55Å; V212-I286 VanDerWaalsContact O-CA 3.29Å; V212-I286 WeakPolarHBondContact O-CA 3.46Å; V212-Q287 PolarHBondContact N-O 3.21Å; V212-Q287 PolarHBondContact O-N 3.29Å
213	A	98.9	Very high	97.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129.2	-179.9	0	0	0	0	0	110.2	I174 Y178 T202 P284 E285 I286	I174-A213 HydrophobicContact CG2-CB 3.59Å; Y178-A213 HydrophobicContact CE1-CB 4.5Å; Y178-A213 HydrophobicContact CE2-CB 4.49Å; T202-A213 PolarHBondContact N-O 3.12Å; T202-A213 PolarHBondContact O-N 3.22Å; T202-A213 PolarHBondContact OG1-O 2.98Å; A213-P284 HydrophobicContact CB-CB 4.11Å; A213-E285 CarbonylContact C-O 3.5Å; A213-E285 VanDerWaalsContact CA-O 3.32Å; A213-E285 WeakPolarHBondContact CA-O 3.4Å; A213-I286 HydrophobicContact CB-CG1 4.09Å
214	N	98.9	Very high	97.7	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.011	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135.5	-174.9	-161.3	60.9	0	0	0	112.7	A200 S201 G216 S218 E233 H235 P284 E285	A200-N214 CarbonylContact O-C 3.49Å; A200-N214 WeakPolarHBondContact O-CA 3.22Å; S201-N214 WeakPolarHBondContact CB-OD1 3.4Å; S201-N214 PolarHBondContact OG-OD1 3.1Å; N214-G216 PolarHBondContact ND2-O 3.43Å; N214-G216 VanDerWaalsContact ND2-O 3.14Å; N214-S218 PolarHBondContact ND2-O 3.07Å; N214-S218 PolarHBondContact OD1-O 2.91Å; N214-E233 PolarHBondContact ND2-O 3.35Å; N214-H235 PolarHBondContact O-CE1 3.26Å; N214-P284 VanDerWaalsContact O-CA 3.31Å; N214-P284 WeakPolarHBondContact O-CA 3.4Å; N214-E285 PolarHBondContact N-O 2.66Å; N214-E285 PolarHBondContact O-N 2.95Å
215	V	98.9	Very high	97.5	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	122	168.2	168.5	0	0	0	0	107.2	Y178 T199 A200 R269 F271 A282 P284	Y178-V215 HydrophobicContact CD1-CG2 3.71Å; Y178-V215 HydrophobicContact CE1-CG2 3.86Å; T199-V215 CarbonylContact C-O 3.55Å; T199-V215 VanDerWaalsContact CA-O 3.25Å; T199-V215 WeakPolarHBondContact CA-O 3.3Å; T199-V215 VanDerWaalsContact CB-O 3.29Å; T199-V215 WeakPolarHBondContact CB-O 3.42Å; A200-V215 PolarHBondContact N-O 3.46Å; A200-V215 PolarHBondContact O-N 3.03Å; V215-R269 HydrophobicContact CG1-CB 4Å; V215-F271 HydrophobicContact CB-CD2 4.4Å; V215-F271 HydrophobicContact CB-CE2 4.07Å; V215-F271 HydrophobicContact CG1-CD2 3.98Å; V215-F271 HydrophobicContact CG1-CE2 4.11Å; V215-F271 HydrophobicContact CG2-CE2 4.13Å; V215-A282 WeakPolarHBondContact CG2-O 3.22Å; V215-P284 HydrophobicContact CG2-CB 4.01Å
216	G	98.8	Very high	97.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	93.3	-155.3	-177	0	0	0	0	0	113.5	N214 H235 R269	N214-G216 PolarHBondContact ND2-O 3.43Å; N214-G216 VanDerWaalsContact ND2-O 3.14Å; G216-H235 PolarHBondContact N-ND1 2.86Å; G216-H235 WeakPolarHBondContact O-CB 3.36Å; G216-H235 PolarHBondContact O-N 2.93Å; G216-H235 PolarHBondContact O-ND1 2.65Å; G216-R269 WeakPolarHBondContact CA-O 3.24Å; G216-R269 PolarHBondContact N-O 3.34Å
217	D	98.5	Very high	97.4	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.016	15%	0.153	C	C	.	.	S	Bend	trans	-119.8	14.1	-171	55.4	-5	0	0	0	114.5	D234 K236 M267	D217-D234 HydrophobicContact CB-CB 4.04Å; D217-K236 HydrophobicContact CB-CD 4.09Å; D217-K236 VanDerWaalsContact CB-NZ 3.28Å; D217-K236 IonicContact OD2-NZ 3.9Å; D217-K236 PolarHBondContact OD2-NZ 3.35Å; D217-M267 WeakPolarHBondContact OD1-CE 3.23Å
218	S	98.8	Very high	97.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.15	C	C	.	.			trans	-65.3	157.8	148.9	-57.7	0	0	0	0	109.9	T199 N214 A301	T199-S218 PolarHBondContact OG1-OG 3.1Å; N214-S218 PolarHBondContact ND2-O 3.07Å; N214-S218 PolarHBondContact OD1-O 2.91Å; S218-A301 WeakPolarHBondContact CA-O 3.47Å; S218-A301 WeakPolarHBondContact CB-O 3.33Å
219	R	98.9	Very high	97.9	Very high	45 Å²	45	26.8 Å²	26.8	17%	0.17	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	147.6	-171.4	-168	-169.6	-63.1	160.2	5.6	113	V221 S232 D234 L300 A301 W306 N311	R219-V221 HydrophobicContact CG-CG2 4.09Å; R219-S232 WeakPolarHBondContact CA-OG 3.49Å; R219-S232 VanDerWaalsContact CG-OG 3.3Å; R219-S232 WeakPolarHBondContact CG-OG 3.31Å; R219-D234 IonicContact CZ-OD1 3.49Å; R219-D234 IonicContact CZ-OD2 3.58Å; R219-D234 IonicContact NE-OD1 3.67Å; R219-D234 PolarHBondContact NE-OD1 2.92Å; R219-D234 IonicContact NE-OD2 2.66Å; R219-D234 VanDerWaalsContact NH2-CG 3.29Å; R219-D234 IonicContact NH2-OD1 3.45Å; R219-D234 PolarHBondContact NH2-OD1 3.01Å; R219-D234 IonicContact NH2-OD2 2.99Å; R219-D234 PolarHBondContact NH2-OD2 2.85Å; R219-L300 WeakPolarHBondContact O-CA 3.45Å; R219-A301 PolarHBondContact N-O 3.42Å; R219-A301 PolarHBondContact O-N 2.95Å; R219-W306 HydrophobicContact CB-CD2 4.24Å; R219-W306 HydrophobicContact CB-CG 4.13Å; R219-W306 HydrophobicContact CB-CZ2 4.46Å; R219-W306 WeakPolarHBondContact O-CZ2 3.49Å; R219-W306 PolarHBondContact O-NE1 2.94Å; R219-N311 PolarHBondContact NH1-OD1 3.36Å
220	A	98.8	Very high	98	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.7	171.8	0	0	0	0	0	110.9	V212 L231 S232 L298 V299 L300	V212-A220 HydrophobicContact CG1-CB 3.55Å; A220-L231 PolarHBondContact O-N 2.78Å; A220-S232 PolarHBondContact N-OG 3.35Å; A220-S232 PolarHBondContact O-N 2.65Å; A220-L298 HydrophobicContact CB-CD1 4.4Å; A220-V299 CarbonylContact C-O 3.52Å; A220-V299 VanDerWaalsContact CA-O 3.31Å; A220-V299 WeakPolarHBondContact CA-O 3Å; A220-L300 HydrophobicContact CB-CD2 4.48Å; A220-L300 HydrophobicContact CB-CG 4.16Å
221	V	98.8	Very high	98	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.2	-178.8	-175.2	0	0	0	0	109.5	R219 A228 A230 V299 W306 N311 V315	R219-V221 HydrophobicContact CG-CG2 4.09Å; V221-A228 HydrophobicContact CG1-CB 3.88Å; V221-A230 HydrophobicContact CG2-CB 4.5Å; V221-V299 PolarHBondContact N-O 3.47Å; V221-V299 PolarHBondContact O-N 3.23Å; V221-W306 HydrophobicContact CB-CH2 4.05Å; V221-W306 HydrophobicContact CG2-CH2 3.64Å; V221-W306 HydrophobicContact CG2-CZ2 4.14Å; V221-W306 HydrophobicContact CG2-CZ3 3.96Å; V221-N311 HydrophobicContact CG1-CB 4.03Å; V221-N311 HydrophobicContact CG2-CB 4.35Å; V221-V315 HydrophobicContact CB-CG1 4.46Å; V221-V315 HydrophobicContact CG1-CG1 3.71Å
222	I	98.4	Very high	98	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	146.8	178	-159.4	163.1	0	0	0	111.2	L210 M229 L231 L295 C297 L298 F351	L210-I222 HydrophobicContact CD2-CD1 3.69Å; I222-M229 HydrophobicContact CG2-CB 3.99Å; I222-M229 HydrophobicContact CG2-CE 3.73Å; I222-M229 PolarHBondContact N-O 3.43Å; I222-M229 PolarHBondContact O-N 2.96Å; I222-L231 HydrophobicContact CB-CD1 3.74Å; I222-L231 HydrophobicContact CB-CG 4.05Å; I222-L231 HydrophobicContact CD1-CD1 4Å; I222-L231 HydrophobicContact CG1-CD1 4.48Å; I222-L231 HydrophobicContact CG2-CD1 3.74Å; I222-L231 HydrophobicContact CG2-CD2 3.92Å; I222-L231 HydrophobicContact CG2-CG 3.69Å; I222-L295 HydrophobicContact CD1-CB 4.23Å; I222-L295 HydrophobicContact CD1-CD1 3.68Å; I222-L295 HydrophobicContact CD1-CD2 3.9Å; I222-L295 HydrophobicContact CD1-CG 4.14Å; I222-L295 HydrophobicContact CG1-CD2 4.24Å; I222-C297 CarbonylContact C-O 3.54Å; I222-C297 WeakPolarHBondContact CA-O 3.22Å; I222-C297 WeakPolarHBondContact CG1-O 3.39Å; I222-L298 HydrophobicContact CB-CD1 4.02Å; I222-L298 HydrophobicContact CG1-CB 4.34Å; I222-L298 HydrophobicContact CG1-CD1 4.38Å; I222-F351 HydrophobicContact CD1-CE2 4.05Å; I222-F351 HydrophobicContact CG1-CE2 4.46Å
223	S	98.2	Very high	97.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	122.2	167.1	-169.2	0	0	0	0	110.1	K227 L295 E296 C297 R319	S223-K227 CarbonylContact C-O 3.59Å; S223-K227 WeakPolarHBondContact CA-O 3.29Å; S223-L295 WeakPolarHBondContact O-CA 3.08Å; S223-E296 PolarHBondContact O-N 3.35Å; S223-E296 PolarHBondContact OG-OE2 2.79Å; S223-C297 PolarHBondContact N-O 2.72Å; S223-R319 WeakPolarHBondContact OG-CD 3.37Å; S223-R319 PolarHBondContact OG-NH1 3.16Å
224	K	96.2	Very high	97.9	Very high	82 Å²	82	31.5 Å²	31.5	36%	0.357	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	112.8	173.2	-169.7	165.7	-167.5	164.5	0	109.3	G226 K227 M229 E289 G294 L295	K224-G226 VanDerWaalsContact C-N 3.26Å; K224-G226 PolarHBondContact O-N 2.79Å; K224-K227 PolarHBondContact N-O 2.74Å; K224-K227 PolarHBondContact O-N 3.29Å; K224-K227 VanDerWaalsContact O-N 3.08Å; K224-M229 HydrophobicContact CD-CE 4.11Å; K224-M229 HydrophobicContact CD-SD 4.15Å; K224-E289 IonicContact NZ-OE2 3.7Å; K224-E289 PolarHBondContact NZ-OE2 2.89Å; K224-G294 CarbonylContact C-O 3.53Å; K224-G294 VanDerWaalsContact CA-O 3.31Å; K224-G294 WeakPolarHBondContact CA-O 3.24Å; K224-L295 HydrophobicContact CB-CD2 3.82Å; K224-L295 HydrophobicContact CD-CD2 3.84Å; K224-L295 HydrophobicContact CG-CD2 3.73Å
225	A	94.3	Very high	97.9	Very high	81 Å²	81	31.4 Å²	31.4	67%	0.669	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	45.6	-175.7	0	0	0	0	0	112.7	K227 G294	A225-K227 VanDerWaalsContact C-N 3.29Å; A225-K227 PolarHBondContact O-N 3.41Å; A225-G294 PolarHBondContact N-O 3.07Å
226	G	94	Very high	97.9	Very high	21 Å²	21	34 Å²	34	22%	0.216	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	-0.3	179.4	0	0	0	0	0	115.9	K224 E296 R319	K224-G226 VanDerWaalsContact C-N 3.26Å; K224-G226 PolarHBondContact O-N 2.79Å; G226-E296 VanDerWaalsContact CA-OE2 3.31Å; G226-E296 WeakPolarHBondContact CA-OE2 3.31Å; G226-E296 PolarHBondContact N-OE2 3.13Å; G226-R319 PolarHBondContact O-NH1 2.96Å; G226-R319 PolarHBondContact O-NH2 2.99Å; G226-R319 VanDerWaalsContact O-NH2 3.09Å
227	K	97.5	Very high	97.9	Very high	134 Å²	134	34.1 Å²	34.1	58%	0.583	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	140.9	-178.6	-65.2	-59.9	-172.1	179.5	0	112.4	S223 K224 A225	S223-K227 CarbonylContact C-O 3.59Å; S223-K227 WeakPolarHBondContact CA-O 3.29Å; K224-K227 PolarHBondContact N-O 2.74Å; K224-K227 PolarHBondContact O-N 3.29Å; K224-K227 VanDerWaalsContact O-N 3.08Å; A225-K227 VanDerWaalsContact C-N 3.29Å; A225-K227 PolarHBondContact O-N 3.41Å
228	A	98.4	Very high	97.8	Very high	25 Å²	25	37.7 Å²	37.7	21%	0.207	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	131.9	172.4	0	0	0	0	0	111.7	V221 N311 E312 V315	V221-A228 HydrophobicContact CG1-CB 3.88Å; A228-N311 HydrophobicContact CB-CB 3.93Å; A228-E312 HydrophobicContact CB-CG 4.04Å; A228-E312 PolarHBondContact N-OE2 2.97Å; A228-V315 HydrophobicContact CB-CG1 4.11Å; A228-V315 HydrophobicContact CB-CG2 3.68Å
229	M	97.9	Very high	97.8	Very high	57 Å²	57	39 Å²	39	28%	0.281	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	116	169.7	-174.7	173.8	83.6	0	0	107.6	I222 K224 L231 E289	I222-M229 HydrophobicContact CG2-CB 3.99Å; I222-M229 HydrophobicContact CG2-CE 3.73Å; I222-M229 PolarHBondContact N-O 3.43Å; I222-M229 PolarHBondContact O-N 2.96Å; K224-M229 HydrophobicContact CD-CE 4.11Å; K224-M229 HydrophobicContact CD-SD 4.15Å; M229-L231 HydrophobicContact CE-CD2 3.56Å; M229-L231 PolarHBondContact O-N 2.87Å; M229-E289 HydrophobicContact CE-CG 4.15Å; M229-E289 VanDerWaalsContact CE-OE1 3.3Å; M229-E289 WeakPolarHBondContact CE-OE1 2.91Å
230	A	98.2	Very high	97.8	Very high	51 Å²	51	42.8 Å²	42.8	42%	0.421	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	127.2	175.5	0	0	0	0	0	109.3	V221	V221-A230 HydrophobicContact CG2-CB 4.5Å
231	L	98.2	Very high	97.8	Very high	9 Å²	9	46.2 Å²	46.2	5%	0.047	25%	0.254	C	S	.	.	S	Bend	trans	-96.8	0.2	174.2	-65.2	-174.9	0	0	0	112.1	L210 V212 A220 I222 M229 Q287 E289 L298	L210-L231 HydrophobicContact CD2-CD1 3.97Å; V212-L231 HydrophobicContact CB-CB 3.96Å; V212-L231 HydrophobicContact CB-CD1 4.46Å; V212-L231 HydrophobicContact CG1-CB 3.91Å; V212-L231 HydrophobicContact CG2-CB 3.92Å; V212-L231 HydrophobicContact CG2-CD1 3.61Å; V212-L231 HydrophobicContact CG2-CG 4.43Å; A220-L231 PolarHBondContact O-N 2.78Å; I222-L231 HydrophobicContact CB-CD1 3.74Å; I222-L231 HydrophobicContact CB-CG 4.05Å; I222-L231 HydrophobicContact CD1-CD1 4Å; I222-L231 HydrophobicContact CG1-CD1 4.48Å; I222-L231 HydrophobicContact CG2-CD1 3.74Å; I222-L231 HydrophobicContact CG2-CD2 3.92Å; I222-L231 HydrophobicContact CG2-CG 3.69Å; M229-L231 HydrophobicContact CE-CD2 3.56Å; M229-L231 PolarHBondContact O-N 2.87Å; L231-Q287 WeakPolarHBondContact O-CB 3.35Å; L231-Q287 WeakPolarHBondContact O-CG 3.33Å; L231-E289 HydrophobicContact CD1-CG 4.39Å; L231-E289 HydrophobicContact CD2-CG 3.78Å; L231-L298 HydrophobicContact CD1-CD1 4.16Å
232	S	98.3	Very high	97.8	Very high	14 Å²	14	46.3 Å²	46.3	10%	0.098	26%	0.255	C	S	.	.			trans	-139.2	151.9	171.5	65.6	0	0	0	0	110.3	R219 A220	R219-S232 WeakPolarHBondContact CA-OG 3.49Å; R219-S232 VanDerWaalsContact CG-OG 3.3Å; R219-S232 WeakPolarHBondContact CG-OG 3.31Å; A220-S232 PolarHBondContact N-OG 3.35Å; A220-S232 PolarHBondContact O-N 2.65Å
233	E	97.9	Very high	97.8	Very high	113 Å²	113	50.5 Å²	50.5	53%	0.528	27%	0.27	S	S	.	.			trans	-110.6	138.8	167.3	-169.8	-178.6	-164.4	0	0	108.8	N214 H235 R239	N214-E233 PolarHBondContact ND2-O 3.35Å; E233-H235 PolarHBondContact O-N 2.84Å; E233-R239 VanDerWaalsContact CD-CD 3.47Å; E233-R239 WeakPolarHBondContact OE2-CD 3.41Å; E233-R239 IonicContact OE2-CZ 3.55Å; E233-R239 IonicContact OE2-NE 3.14Å; E233-R239 IonicContact OE2-NH1 3.3Å; E233-R239 PolarHBondContact OE2-NH1 3.33Å
234	D	98.5	Very high	97.8	Very high	25 Å²	25	56.3 Å²	56.3	13%	0.134	30%	0.295	C	S	.	.			trans	-67.7	129.4	-178.9	-59.3	9	0	0	0	110.4	D217 R219 K236	D217-D234 HydrophobicContact CB-CB 4.04Å; R219-D234 IonicContact CZ-OD1 3.49Å; R219-D234 IonicContact CZ-OD2 3.58Å; R219-D234 IonicContact NE-OD1 3.67Å; R219-D234 PolarHBondContact NE-OD1 2.92Å; R219-D234 IonicContact NE-OD2 2.66Å; R219-D234 VanDerWaalsContact NH2-CG 3.29Å; R219-D234 IonicContact NH2-OD1 3.45Å; R219-D234 PolarHBondContact NH2-OD1 3.01Å; R219-D234 IonicContact NH2-OD2 2.99Å; R219-D234 PolarHBondContact NH2-OD2 2.85Å; D234-K236 VanDerWaalsContact C-N 3.26Å; D234-K236 HydrophobicContact CB-CD 4.39Å; D234-K236 HydrophobicContact CB-CG 4Å; D234-K236 PolarHBondContact O-N 3Å
235	H	98.7	Very high	97.9	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.289	C	S	.	.			trans	-77.8	74.1	177.4	-66.4	113.3	0	0	0	111.2	N214 G216 E233 M267 S268 R269 E285	N214-H235 PolarHBondContact O-CE1 3.26Å; G216-H235 PolarHBondContact N-ND1 2.86Å; G216-H235 WeakPolarHBondContact O-CB 3.36Å; G216-H235 PolarHBondContact O-N 2.93Å; G216-H235 PolarHBondContact O-ND1 2.65Å; E233-H235 PolarHBondContact O-N 2.84Å; H235-M267 CarbonylContact O-C 3.43Å; H235-M267 VanDerWaalsContact O-CA 3.29Å; H235-M267 WeakPolarHBondContact O-CA 3.4Å; H235-S268 WeakPolarHBondContact CB-OG 3.49Å; H235-S268 PolarHBondContact O-N 2.76Å; H235-S268 PolarHBondContact O-OG 3.24Å; H235-R269 HydrophobicContact CB-CB 3.98Å; H235-R269 HydrophobicContact CB-CG 3.96Å; H235-R269 PolarHBondContact CD2-NE 3.14Å; H235-E285 WeakPolarHBondContact NE2-CG 3.38Å; H235-E285 IonicContact NE2-OE1 3.06Å; H235-E285 IonicContact NE2-OE2 2.65Å; H235-E285 PolarHBondContact NE2-OE2 3.31Å
236	K	98.3	Very high	98.1	Very high	55 Å²	55	51.4 Å²	51.4	24%	0.239	26%	0.258	C	S	.	.			trans	-90.1	142.2	177.8	-58	-64.9	-175.2	178.6	0	111	D217 D234 N238 R239	D217-K236 HydrophobicContact CB-CD 4.09Å; D217-K236 VanDerWaalsContact CB-NZ 3.28Å; D217-K236 IonicContact OD2-NZ 3.9Å; D217-K236 PolarHBondContact OD2-NZ 3.35Å; D234-K236 VanDerWaalsContact C-N 3.26Å; D234-K236 HydrophobicContact CB-CD 4.39Å; D234-K236 HydrophobicContact CB-CG 4Å; D234-K236 PolarHBondContact O-N 3Å; K236-N238 WeakPolarHBondContact CB-OD1 3.34Å; K236-N238 PolarHBondContact O-N 2.69Å; K236-R239 WeakPolarHBondContact O-CB 3.3Å; K236-R239 PolarHBondContact O-N 3.24Å
237	P	98.5	Very high	98.3	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.4	-176.3	-26.5	37.2	0	0	0	115.6	R243 V253 W259 V261 A266	P237-R243 WeakPolarHBondContact O-CB 3.17Å; P237-V253 HydrophobicContact CB-CG1 3.76Å; P237-V253 HydrophobicContact CB-CG2 4.22Å; P237-W259 HydrophobicContact CB-CB 4.2Å; P237-V261 HydrophobicContact CB-CG2 4.04Å; P237-V261 HydrophobicContact CG-CG2 3.8Å; P237-A266 WeakPolarHBondContact CD-O 3.38Å
238	N	97.6	Very high	98.3	Very high	78 Å²	78	54.9 Å²	54.9	42%	0.417	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-2.6	175.5	62.5	-52.6	0	0	0	114.8	K236 I240 W259	K236-N238 WeakPolarHBondContact CB-OD1 3.34Å; K236-N238 PolarHBondContact O-N 2.69Å; N238-I240 PolarHBondContact O-N 3.39Å; N238-W259 HydrophobicContact CB-CB 4.09Å; N238-W259 HydrophobicContact CB-CD2 3.93Å; N238-W259 HydrophobicContact CB-CG 3.54Å
239	R	98.2	Very high	98.3	Very high	27 Å²	27	55.9 Å²	55.9	10%	0.102	28%	0.283	C	S	.	.	S	Bend	trans	-62	133.7	168.8	-153.3	179.4	67.8	178.5	-5.9	108.5	E233 K236 D241 E242 R243 E285	E233-R239 VanDerWaalsContact CD-CD 3.47Å; E233-R239 WeakPolarHBondContact OE2-CD 3.41Å; E233-R239 IonicContact OE2-CZ 3.55Å; E233-R239 IonicContact OE2-NE 3.14Å; E233-R239 IonicContact OE2-NH1 3.3Å; E233-R239 PolarHBondContact OE2-NH1 3.33Å; K236-R239 WeakPolarHBondContact O-CB 3.3Å; K236-R239 PolarHBondContact O-N 3.24Å; R239-D241 VanDerWaalsContact C-N 3.33Å; R239-D241 WeakPolarHBondContact CD-OD1 3.44Å; R239-D241 WeakPolarHBondContact CG-OD1 3.37Å; R239-D241 IonicContact CZ-OD1 2.8Å; R239-D241 IonicContact CZ-OD2 3.25Å; R239-D241 VanDerWaalsContact CZ-OD2 3.29Å; R239-D241 IonicContact NE-OD1 2.77Å; R239-D241 PolarHBondContact NE-OD1 3.36Å; R239-D241 IonicContact NE-OD2 3.75Å; R239-D241 PolarHBondContact NE-OD2 2.82Å; R239-D241 IonicContact NH2-OD1 2.83Å; R239-D241 IonicContact NH2-OD2 3.67Å; R239-D241 PolarHBondContact NH2-OD2 3.41Å; R239-D241 PolarHBondContact O-N 2.78Å; R239-E242 HydrophobicContact CB-CB 4.12Å; R239-E242 HydrophobicContact CB-CG 4.12Å; R239-E242 IonicContact NH2-OE1 2.77Å; R239-E242 PolarHBondContact NH2-OE1 3.17Å; R239-E242 PolarHBondContact O-N 3.39Å; R239-R243 WeakPolarHBondContact O-CB 3.46Å; R239-R243 PolarHBondContact O-N 2.98Å; R239-E285 IonicContact CZ-OE1 3.35Å; R239-E285 IonicContact CZ-OE2 3.55Å; R239-E285 IonicContact NH1-OE1 3.29Å; R239-E285 PolarHBondContact NH1-OE1 2.98Å; R239-E285 IonicContact NH1-OE2 3.27Å; R239-E285 PolarHBondContact NH1-OE2 3.3Å; R239-E285 IonicContact NH2-OE1 3.4Å; R239-E285 PolarHBondContact NH2-OE1 2.72Å; R239-E285 IonicContact NH2-OE2 3.55Å
240	I	98.3	Very high	98.4	Very high	125 Å²	125	55.8 Å²	55.8	64%	0.641	30%	0.296	S	S	*	.	H	α-helix	trans	-61.9	-42.1	-163.3	-67.6	173.3	0	0	0	112	N238 K244	N238-I240 PolarHBondContact O-N 3.39Å; I240-K244 HydrophobicContact CG2-CD 4.29Å; I240-K244 WeakPolarHBondContact O-CB 3.29Å; I240-K244 WeakPolarHBondContact O-CD 3.23Å; I240-K244 WeakPolarHBondContact O-CG 3.21Å; I240-K244 PolarHBondContact O-N 3.06Å
241	D	98.4	Very high	98.3	Very high	72 Å²	72	53.8 Å²	53.8	39%	0.385	28%	0.281	S	S	.	.	H	α-helix	trans	-68.1	-45.3	176.5	63.4	-36.3	0	0	0	112	R239 K244 R245	R239-D241 VanDerWaalsContact C-N 3.33Å; R239-D241 WeakPolarHBondContact CD-OD1 3.44Å; R239-D241 WeakPolarHBondContact CG-OD1 3.37Å; R239-D241 IonicContact CZ-OD1 2.8Å; R239-D241 IonicContact CZ-OD2 3.25Å; R239-D241 VanDerWaalsContact CZ-OD2 3.29Å; R239-D241 IonicContact NE-OD1 2.77Å; R239-D241 PolarHBondContact NE-OD1 3.36Å; R239-D241 IonicContact NE-OD2 3.75Å; R239-D241 PolarHBondContact NE-OD2 2.82Å; R239-D241 IonicContact NH2-OD1 2.83Å; R239-D241 IonicContact NH2-OD2 3.67Å; R239-D241 PolarHBondContact NH2-OD2 3.41Å; R239-D241 PolarHBondContact O-N 2.78Å; D241-K244 WeakPolarHBondContact O-CB 2.96Å; D241-K244 PolarHBondContact O-N 3.24Å; D241-R245 PolarHBondContact O-N 2.94Å
242	E	98.7	Very high	98.3	Very high	3 Å²	3	58 Å²	58	1%	0.014	30%	0.302	C	S	.	.	H	α-helix	trans	-64.2	-44.8	179.2	-70.7	-62.5	106.1	0	0	111.8	R239 K244 R245 I246 S268 R269	R239-E242 HydrophobicContact CB-CB 4.12Å; R239-E242 HydrophobicContact CB-CG 4.12Å; R239-E242 IonicContact NH2-OE1 2.77Å; R239-E242 PolarHBondContact NH2-OE1 3.17Å; R239-E242 PolarHBondContact O-N 3.39Å; E242-K244 VanDerWaalsContact C-N 3.32Å; E242-K244 PolarHBondContact O-N 3.48Å; E242-R245 WeakPolarHBondContact O-CB 3.27Å; E242-R245 PolarHBondContact O-N 3.04Å; E242-R245 IonicContact OE1-NE 3.65Å; E242-R245 IonicContact OE2-NE 3.49Å; E242-R245 IonicContact OE2-NH2 3.57Å; E242-I246 WeakPolarHBondContact O-CD1 3.24Å; E242-I246 WeakPolarHBondContact O-CG1 3.49Å; E242-I246 PolarHBondContact O-N 3.22Å; E242-S268 VanDerWaalsContact CG-OG 3.31Å; E242-S268 WeakPolarHBondContact CG-OG 3.12Å; E242-S268 VanDerWaalsContact OE2-CB 3.23Å; E242-S268 WeakPolarHBondContact OE2-CB 3.39Å; E242-S268 PolarHBondContact OE2-OG 3.1Å; E242-R269 VanDerWaalsContact CD-NE 3.34Å; E242-R269 IonicContact OE1-CZ 3.85Å; E242-R269 IonicContact OE1-NE 3.38Å; E242-R269 PolarHBondContact OE1-NE 2.69Å; E242-R269 IonicContact OE1-NH2 3.41Å; E242-R269 PolarHBondContact OE1-NH2 3.19Å; E242-R269 VanDerWaalsContact OE2-CG 3.24Å; E242-R269 WeakPolarHBondContact OE2-CG 3.46Å; E242-R269 IonicContact OE2-NE 2.66Å; E242-R269 PolarHBondContact OE2-NE 3.48Å; E242-R269 VanDerWaalsContact OE2-NE 3.14Å
243	R	98.6	Very high	98.3	Very high	88 Å²	88	57.9 Å²	57.9	33%	0.332	30%	0.301	S	S	.	.	H	α-helix	trans	-58.2	-46.7	174.8	-176.4	170.2	177.3	167.2	4.1	111.1	P237 R239 R245 I246 E247 V253	P237-R243 WeakPolarHBondContact O-CB 3.17Å; R239-R243 WeakPolarHBondContact O-CB 3.46Å; R239-R243 PolarHBondContact O-N 2.98Å; R243-R245 VanDerWaalsContact C-N 3.35Å; R243-R245 PolarHBondContact O-N 3.33Å; R243-I246 PolarHBondContact O-N 2.97Å; R243-E247 HydrophobicContact CG-CG 4.36Å; R243-E247 IonicContact CZ-OE1 3.46Å; R243-E247 IonicContact NE-OE1 2.69Å; R243-E247 PolarHBondContact NE-OE1 3.19Å; R243-E247 IonicContact NH2-OE1 3.22Å; R243-E247 PolarHBondContact NH2-OE1 2.86Å; R243-E247 WeakPolarHBondContact O-CB 3.31Å; R243-E247 WeakPolarHBondContact O-CG 3.23Å; R243-E247 PolarHBondContact O-N 2.71Å; R243-V253 HydrophobicContact CG-CB 4.4Å; R243-V253 HydrophobicContact CG-CG2 4.16Å
244	K	98.6	Very high	98.3	Very high	121 Å²	121	56 Å²	56	53%	0.526	29%	0.294	S	S	.	.	H	α-helix	trans	-60.9	-42.9	176.3	-77	171.6	-177.6	175.9	0	111.5	I240 D241 E242 I246 E247 N248	I240-K244 HydrophobicContact CG2-CD 4.29Å; I240-K244 WeakPolarHBondContact O-CB 3.29Å; I240-K244 WeakPolarHBondContact O-CD 3.23Å; I240-K244 WeakPolarHBondContact O-CG 3.21Å; I240-K244 PolarHBondContact O-N 3.06Å; D241-K244 WeakPolarHBondContact O-CB 2.96Å; D241-K244 PolarHBondContact O-N 3.24Å; E242-K244 VanDerWaalsContact C-N 3.32Å; E242-K244 PolarHBondContact O-N 3.48Å; K244-I246 PolarHBondContact O-N 3.49Å; K244-E247 PolarHBondContact O-N 3.41Å; K244-N248 WeakPolarHBondContact O-CB 3.33Å; K244-N248 PolarHBondContact O-N 3.23Å; K244-N248 PolarHBondContact O-ND2 2.97Å
245	R	98.6	Very high	98.2	Very high	61 Å²	61	62.2 Å²	62.2	23%	0.23	32%	0.316	C	S	.	.	H	α-helix	trans	-58.6	-47.1	176.6	-174.9	-166.7	61.9	68.7	3.4	111.1	D241 E242 R243 A249 S268 Y279	D241-R245 PolarHBondContact O-N 2.94Å; E242-R245 WeakPolarHBondContact O-CB 3.27Å; E242-R245 PolarHBondContact O-N 3.04Å; E242-R245 IonicContact OE1-NE 3.65Å; E242-R245 IonicContact OE2-NE 3.49Å; E242-R245 IonicContact OE2-NH2 3.57Å; R243-R245 VanDerWaalsContact C-N 3.35Å; R243-R245 PolarHBondContact O-N 3.33Å; R245-A249 PolarHBondContact O-N 3.42Å; R245-A249 VanDerWaalsContact O-N 3.15Å; R245-S268 PolarHBondContact NH2-O 2.86Å; R245-Y279 VanDerWaalsContact CZ-O 3.23Å; R245-Y279 PolarHBondContact NH1-O 3.45Å; R245-Y279 PolarHBondContact NH2-O 3.4Å
246	I	98.8	Very high	98	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-62.5	-50.5	178.5	-68.7	158.5	0	0	0	111.2	E242 R243 K244 N248 A249 G250 G251 V253 V261	E242-I246 WeakPolarHBondContact O-CD1 3.24Å; E242-I246 WeakPolarHBondContact O-CG1 3.49Å; E242-I246 PolarHBondContact O-N 3.22Å; R243-I246 PolarHBondContact O-N 2.97Å; K244-I246 PolarHBondContact O-N 3.49Å; I246-N248 PolarHBondContact O-N 3.37Å; I246-A249 PolarHBondContact O-N 2.99Å; I246-G250 PolarHBondContact O-N 3.21Å; I246-G251 WeakPolarHBondContact O-CA 3.3Å; I246-G251 PolarHBondContact O-N 2.92Å; I246-V253 HydrophobicContact CB-CG2 4.27Å; I246-V253 HydrophobicContact CD1-CG2 3.89Å; I246-V253 HydrophobicContact CG2-CG2 3.92Å; I246-V261 HydrophobicContact CD1-CG1 4.42Å; I246-V261 HydrophobicContact CD1-CG2 3.63Å; I246-V261 HydrophobicContact CG2-CG1 4.14Å
247	E	98.3	Very high	97.7	Very high	84 Å²	84	65.4 Å²	65.4	39%	0.393	36%	0.359	S	S	.	.	H	α-helix	trans	-65.6	-38.4	-177.9	-70.9	174.6	172.2	0	0	111.7	R243 K244 A249 G250	R243-E247 HydrophobicContact CG-CG 4.36Å; R243-E247 IonicContact CZ-OE1 3.46Å; R243-E247 IonicContact NE-OE1 2.69Å; R243-E247 PolarHBondContact NE-OE1 3.19Å; R243-E247 IonicContact NH2-OE1 3.22Å; R243-E247 PolarHBondContact NH2-OE1 2.86Å; R243-E247 WeakPolarHBondContact O-CB 3.31Å; R243-E247 WeakPolarHBondContact O-CG 3.23Å; R243-E247 PolarHBondContact O-N 2.71Å; K244-E247 PolarHBondContact O-N 3.41Å; E247-A249 VanDerWaalsContact C-N 3.27Å; E247-A249 PolarHBondContact O-N 3.23Å; E247-G250 PolarHBondContact O-N 3.32Å
248	N	98.4	Very high	97.6	Very high	143 Å²	143	67.7 Å²	67.7	77%	0.765	37%	0.373	S	S	*	.	H	α-helix	trans	-65.2	-29.6	174.5	-73.5	-17.5	0	0	0	112.9	K244 I246 G250	K244-N248 WeakPolarHBondContact O-CB 3.33Å; K244-N248 PolarHBondContact O-N 3.23Å; K244-N248 PolarHBondContact O-ND2 2.97Å; I246-N248 PolarHBondContact O-N 3.37Å; N248-G250 PolarHBondContact O-N 2.89Å
249	A	98.2	Very high	97.6	Very high	47 Å²	47	67.5 Å²	67.5	39%	0.388	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-2	173	0	0	0	0	0	113	R245 I246 E247 Y279	R245-A249 PolarHBondContact O-N 3.42Å; R245-A249 VanDerWaalsContact O-N 3.15Å; I246-A249 PolarHBondContact O-N 2.99Å; E247-A249 VanDerWaalsContact C-N 3.27Å; E247-A249 PolarHBondContact O-N 3.23Å; A249-Y279 HydrophobicContact CB-CD1 4.07Å; A249-Y279 WeakPolarHBondContact O-CE1 3.32Å
250	G	98.2	Very high	97.6	Very high	54 Å²	54	70 Å²	70	56%	0.557	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	8.6	-177.3	0	0	0	0	0	114.4	I246 E247 N248	I246-G250 PolarHBondContact O-N 3.21Å; E247-G250 PolarHBondContact O-N 3.32Å; N248-G250 PolarHBondContact O-N 2.89Å
251	G	98	Very high	97.6	Very high	9 Å²	9	64 Å²	64	9%	0.093	35%	0.345	C	S	.	.			trans	-80.1	174.2	173.1	0	0	0	0	0	112.2	I246 Y279	I246-G251 WeakPolarHBondContact O-CA 3.3Å; I246-G251 PolarHBondContact O-N 2.92Å; G251-Y279 VanDerWaalsContact CA-CD1 3.42Å; G251-Y279 VanDerWaalsContact N-CE1 3.27Å
252	I	97.8	Very high	97.5	Very high	97 Å²	97	62.3 Å²	62.3	50%	0.497	35%	0.345	S	S	.	.			trans	-131.2	145.6	178.6	63.1	-175.6	0	0	0	110.5	I254 G262	I252-I254 HydrophobicContact CD1-CD1 3.64Å; I252-I254 HydrophobicContact CD1-CG1 4.25Å; I252-I254 HydrophobicContact CG1-CD1 4.09Å; I252-I254 HydrophobicContact CG1-CG1 4.27Å; I252-G262 PolarHBondContact O-N 2.91Å
253	V	98.3	Very high	97.4	Very high	13 Å²	13	63.7 Å²	63.7	8%	0.079	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120.4	173.1	176.9	0	0	0	0	108.6	P237 R243 I246 W259 R260	P237-V253 HydrophobicContact CB-CG1 3.76Å; P237-V253 HydrophobicContact CB-CG2 4.22Å; R243-V253 HydrophobicContact CG-CB 4.4Å; R243-V253 HydrophobicContact CG-CG2 4.16Å; I246-V253 HydrophobicContact CB-CG2 4.27Å; I246-V253 HydrophobicContact CD1-CG2 3.89Å; I246-V253 HydrophobicContact CG2-CG2 3.92Å; V253-W259 HydrophobicContact CG1-CB 4.39Å; V253-W259 HydrophobicContact CG1-CD2 4.5Å; V253-W259 HydrophobicContact CG1-CE3 3.73Å; V253-W259 HydrophobicContact CG1-CZ3 4.41Å; V253-R260 WeakPolarHBondContact CA-O 3.48Å
254	I	97.6	Very high	97.3	Very high	72 Å²	72	63.6 Å²	63.6	37%	0.369	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	139.7	-173.9	-61.1	171.8	0	0	0	109.6	I252 R260	I252-I254 HydrophobicContact CD1-CD1 3.64Å; I252-I254 HydrophobicContact CD1-CG1 4.25Å; I252-I254 HydrophobicContact CG1-CD1 4.09Å; I252-I254 HydrophobicContact CG1-CG1 4.27Å; I254-R260 PolarHBondContact N-O 3.46Å; I254-R260 PolarHBondContact O-N 3.23Å
255	W	97.3	Very high	97.2	Very high	157 Å²	157	58.5 Å²	58.5	60%	0.595	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	116.3	166.4	-179.7	-95.9	0	0	0	110.8	W259	W255-W259 HydrophobicContact CB-CE3 4.17Å; W255-W259 HydrophobicContact CB-CH2 4.47Å; W255-W259 HydrophobicContact CB-CZ3 4.13Å; W255-W259 AromaticContact CE3-CD1 3.62Å; W255-W259 AromaticContact CE3-CD2 3.76Å; W255-W259 HydrophobicContact CE3-CD2 3.76Å; W255-W259 AromaticContact CE3-CE2 3.62Å; W255-W259 HydrophobicContact CE3-CE3 4.46Å; W255-W259 AromaticContact CE3-CG 3.8Å; W255-W259 HydrophobicContact CE3-CG 3.8Å; W255-W259 HydrophobicContact CE3-CZ2 4.24Å; W255-W259 AromaticContact CE3-NE1 3.49Å; W255-W259 AromaticContact CZ3-CD1 3.54Å; W255-W259 HydrophobicContact CZ3-CD2 4.45Å; W255-W259 HydrophobicContact CZ3-CG 4.15Å; W255-W259 AromaticContact CZ3-NE1 3.51Å
256	A	92.7	Very high	97.2	Very high	52 Å²	52	56.8 Å²	56.8	43%	0.43	35%	0.346	S	S	.	.	S	Bend	trans	-141.8	69.9	176.9	0	0	0	0	0	109.9	T258	A256-T258 PolarHBondContact N-O 3.39Å; A256-T258 PolarHBondContact O-N 3.07Å
257	G	93.4	Very high	97.1	Very high	69 Å²	69	57.4 Å²	57.4	71%	0.711	35%	0.349	S	S	*	.	S	Bend	trans	78	-28.7	-170.7	0	0	0	0	0	113.7
258	T	95.9	Very high	97.2	Very high	50 Å²	50	53.4 Å²	53.4	31%	0.307	33%	0.33	S	S	.	.	S	Bend	trans	-148	171.9	164.2	-173	0	0	0	0	108.3	A256 R260 A266	A256-T258 PolarHBondContact N-O 3.39Å; A256-T258 PolarHBondContact O-N 3.07Å; T258-R260 HydrophobicContact CG2-CG 4.01Å; T258-A266 HydrophobicContact CG2-CB 3.87Å
259	W	98.2	Very high	97.2	Very high	74 Å²	74	47.6 Å²	47.6	28%	0.28	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	128.5	174	-67.3	105	0	0	0	110.8	P237 N238 V253 W255	P237-W259 HydrophobicContact CB-CB 4.2Å; N238-W259 HydrophobicContact CB-CB 4.09Å; N238-W259 HydrophobicContact CB-CD2 3.93Å; N238-W259 HydrophobicContact CB-CG 3.54Å; V253-W259 HydrophobicContact CG1-CB 4.39Å; V253-W259 HydrophobicContact CG1-CD2 4.5Å; V253-W259 HydrophobicContact CG1-CE3 3.73Å; V253-W259 HydrophobicContact CG1-CZ3 4.41Å; W255-W259 HydrophobicContact CB-CE3 4.17Å; W255-W259 HydrophobicContact CB-CH2 4.47Å; W255-W259 HydrophobicContact CB-CZ3 4.13Å; W255-W259 AromaticContact CE3-CD1 3.62Å; W255-W259 AromaticContact CE3-CD2 3.76Å; W255-W259 HydrophobicContact CE3-CD2 3.76Å; W255-W259 AromaticContact CE3-CE2 3.62Å; W255-W259 HydrophobicContact CE3-CE3 4.46Å; W255-W259 AromaticContact CE3-CG 3.8Å; W255-W259 HydrophobicContact CE3-CG 3.8Å; W255-W259 HydrophobicContact CE3-CZ2 4.24Å; W255-W259 AromaticContact CE3-NE1 3.49Å; W255-W259 AromaticContact CZ3-CD1 3.54Å; W255-W259 HydrophobicContact CZ3-CD2 4.45Å; W255-W259 HydrophobicContact CZ3-CG 4.15Å; W255-W259 AromaticContact CZ3-NE1 3.51Å
260	R	98.5	Very high	97.2	Very high	78 Å²	78	45.4 Å²	45.4	29%	0.294	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	138.8	-176.1	-64.3	-179.7	-179.8	-83.9	-8.8	113	V253 I254 T258 G263 V264 L265 A266	V253-R260 WeakPolarHBondContact CA-O 3.48Å; I254-R260 PolarHBondContact N-O 3.46Å; I254-R260 PolarHBondContact O-N 3.23Å; T258-R260 HydrophobicContact CG2-CG 4.01Å; R260-G263 WeakPolarHBondContact CD-O 3.36Å; R260-G263 PolarHBondContact O-N 2.89Å; R260-V264 PolarHBondContact NH1-O 2.82Å; R260-L265 CarbonylContact C-O 3.59Å; R260-L265 WeakPolarHBondContact CA-O 3.4Å; R260-L265 WeakPolarHBondContact CB-O 3.41Å; R260-A266 HydrophobicContact CG-CB 4.45Å
261	V	98.3	Very high	97.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	123.9	169.4	-171.4	0	0	0	0	109.1	P237 I246 G263 V264 L265 M267 V280	P237-V261 HydrophobicContact CB-CG2 4.04Å; P237-V261 HydrophobicContact CG-CG2 3.8Å; I246-V261 HydrophobicContact CD1-CG1 4.42Å; I246-V261 HydrophobicContact CD1-CG2 3.63Å; I246-V261 HydrophobicContact CG2-CG1 4.14Å; V261-G263 PolarHBondContact O-N 2.94Å; V261-V264 PolarHBondContact O-N 3.45Å; V261-L265 PolarHBondContact N-O 3.12Å; V261-L265 PolarHBondContact O-N 3.02Å; V261-M267 WeakPolarHBondContact CG2-O 3.47Å; V261-V280 HydrophobicContact CB-CG2 4.29Å; V261-V280 HydrophobicContact CG1-CG2 4.08Å; V261-V280 HydrophobicContact CG2-CG2 4.37Å
262	G	96.2	Very high	97.2	Very high	37 Å²	37	42.4 Å²	42.4	38%	0.381	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	13.7	-177.1	0	0	0	0	0	114.3	I252 V264	I252-G262 PolarHBondContact O-N 2.91Å; G262-V264 PolarHBondContact O-N 2.83Å
263	G	95.6	Very high	97.2	Very high	31 Å²	31	38 Å²	38	32%	0.32	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	5.1	-169.8	0	0	0	0	0	114.8	R260 V261	R260-G263 WeakPolarHBondContact CD-O 3.36Å; R260-G263 PolarHBondContact O-N 2.89Å; V261-G263 PolarHBondContact O-N 2.94Å
264	V	95.8	Very high	97.1	Very high	87 Å²	87	40.9 Å²	40.9	53%	0.527	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-65	-173.8	-178.9	0	0	0	0	111.6	R260 V261 G262 L276	R260-V264 PolarHBondContact NH1-O 2.82Å; V261-V264 PolarHBondContact O-N 3.45Å; G262-V264 PolarHBondContact O-N 2.83Å; V264-L276 HydrophobicContact CB-CD1 4.4Å; V264-L276 HydrophobicContact CG1-CD1 4.4Å
265	L	97.7	Very high	96.9	Very high	14 Å²	14	42.9 Å²	42.9	7%	0.073	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-98.7	133.1	-167.1	-173	67	0	0	0	112.5	R260 V261 M267 A270 L276 V280	R260-L265 CarbonylContact C-O 3.59Å; R260-L265 WeakPolarHBondContact CA-O 3.4Å; R260-L265 WeakPolarHBondContact CB-O 3.41Å; V261-L265 PolarHBondContact N-O 3.12Å; V261-L265 PolarHBondContact O-N 3.02Å; L265-M267 VanDerWaalsContact C-N 3.3Å; L265-M267 HydrophobicContact CD1-CG 4.07Å; L265-M267 HydrophobicContact CD2-CG 3.77Å; L265-M267 HydrophobicContact CG-CG 3.74Å; L265-M267 PolarHBondContact O-N 2.93Å; L265-A270 HydrophobicContact CD2-CB 4.34Å; L265-L276 HydrophobicContact CB-CD1 3.49Å; L265-L276 VanDerWaalsContact CB-CD1 3.49Å; L265-L276 HydrophobicContact CD2-CD1 4.05Å; L265-L276 HydrophobicContact CG-CD1 4.37Å; L265-V280 HydrophobicContact CD2-CB 4.48Å; L265-V280 HydrophobicContact CD2-CG1 3.91Å; L265-V280 HydrophobicContact CD2-CG2 3.8Å
266	A	97.8	Very high	96.9	Very high	24 Å²	24	36.1 Å²	36.1	20%	0.198	22%	0.222	C	C	.	.	S	Bend	trans	-86.3	7.5	-175.1	0	0	0	0	0	115	P237 T258 R260	P237-A266 WeakPolarHBondContact CD-O 3.38Å; T258-A266 HydrophobicContact CG2-CB 3.87Å; R260-A266 HydrophobicContact CG-CB 4.45Å
267	M	98.2	Very high	97	Very high	14 Å²	14	36.1 Å²	36.1	7%	0.069	21%	0.212	C	C	.	.	S	Bend	trans	-131.2	152.1	175.4	61	-167.6	74.9	0	0	109.5	T199 D217 H235 V261 L265 A270	T199-M267 HydrophobicContact CG2-CE 4.09Å; T199-M267 HydrophobicContact CG2-SD 3.78Å; D217-M267 WeakPolarHBondContact OD1-CE 3.23Å; H235-M267 CarbonylContact O-C 3.43Å; H235-M267 VanDerWaalsContact O-CA 3.29Å; H235-M267 WeakPolarHBondContact O-CA 3.4Å; V261-M267 WeakPolarHBondContact CG2-O 3.47Å; L265-M267 VanDerWaalsContact C-N 3.3Å; L265-M267 HydrophobicContact CD1-CG 4.07Å; L265-M267 HydrophobicContact CD2-CG 3.77Å; L265-M267 HydrophobicContact CG-CG 3.74Å; L265-M267 PolarHBondContact O-N 2.93Å; M267-A270 HydrophobicContact SD-CB 4.23Å
268	S	98.6	Very high	97.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-92.5	-19	-176.6	60.7	0	0	0	0	113.7	H235 E242 R245 V280	H235-S268 WeakPolarHBondContact CB-OG 3.49Å; H235-S268 PolarHBondContact O-N 2.76Å; H235-S268 PolarHBondContact O-OG 3.24Å; E242-S268 VanDerWaalsContact CG-OG 3.31Å; E242-S268 WeakPolarHBondContact CG-OG 3.12Å; E242-S268 VanDerWaalsContact OE2-CB 3.23Å; E242-S268 WeakPolarHBondContact OE2-CB 3.39Å; E242-S268 PolarHBondContact OE2-OG 3.1Å; R245-S268 PolarHBondContact NH2-O 2.86Å; S268-V280 WeakPolarHBondContact O-CA 2.8Å
269	R	98.8	Very high	97.3	Very high	21 Å²	21	37.8 Å²	37.8	8%	0.079	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-128.4	140	177.7	-55.6	-162.5	-170.7	174.9	17.6	109.7	V215 G216 H235 E242 V281 E283 E285	V215-R269 HydrophobicContact CG1-CB 4Å; G216-R269 WeakPolarHBondContact CA-O 3.24Å; G216-R269 PolarHBondContact N-O 3.34Å; H235-R269 HydrophobicContact CB-CB 3.98Å; H235-R269 HydrophobicContact CB-CG 3.96Å; H235-R269 PolarHBondContact CD2-NE 3.14Å; E242-R269 VanDerWaalsContact CD-NE 3.34Å; E242-R269 IonicContact OE1-CZ 3.85Å; E242-R269 IonicContact OE1-NE 3.38Å; E242-R269 PolarHBondContact OE1-NE 2.69Å; E242-R269 IonicContact OE1-NH2 3.41Å; E242-R269 PolarHBondContact OE1-NH2 3.19Å; E242-R269 VanDerWaalsContact OE2-CG 3.24Å; E242-R269 WeakPolarHBondContact OE2-CG 3.46Å; E242-R269 IonicContact OE2-NE 2.66Å; E242-R269 PolarHBondContact OE2-NE 3.48Å; E242-R269 VanDerWaalsContact OE2-NE 3.14Å; R269-V281 CarbonylContact C-O 3.54Å; R269-V281 WeakPolarHBondContact CA-O 3.18Å; R269-V281 VanDerWaalsContact CB-O 3.25Å; R269-V281 WeakPolarHBondContact CB-O 3.16Å; R269-V281 HydrophobicContact CG-CG2 3.92Å; R269-E283 WeakPolarHBondContact CD-O 3.19Å; R269-E283 PolarHBondContact NH1-O 3.41Å; R269-E285 IonicContact CZ-OE1 3.49Å; R269-E285 IonicContact NH1-OE1 2.74Å; R269-E285 IonicContact NH2-OE1 3.33Å; R269-E285 PolarHBondContact NH2-OE1 2.83Å
270	A	98.8	Very high	97.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.189	C	C	.	.			trans	-167.7	151.9	177.3	0	0	0	0	0	109.7	S198 L265 M267 N273 K277 V280 V281	S198-A270 WeakPolarHBondContact O-CA 3.43Å; L265-A270 HydrophobicContact CD2-CB 4.34Å; M267-A270 HydrophobicContact SD-CB 4.23Å; A270-N273 VanDerWaalsContact CB-OD1 3.27Å; A270-N273 WeakPolarHBondContact CB-OD1 3.04Å; A270-K277 PolarHBondContact O-NZ 3.23Å; A270-K277 VanDerWaalsContact O-NZ 3.13Å; A270-V280 HydrophobicContact CB-CG1 3.71Å; A270-V281 PolarHBondContact N-O 2.93Å; A270-V281 CarbonylContact O-C 3.47Å
271	F	98.7	Very high	97.3	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	153.9	159	-70.3	-98	0	0	0	109.9	L152 L156 Y178 D182 G197 S198 A200 V215 A282	L152-F271 HydrophobicContact CD1-CB 4.04Å; L152-F271 HydrophobicContact CD1-CD1 4.36Å; L152-F271 HydrophobicContact CD1-CD2 3.65Å; L152-F271 HydrophobicContact CD1-CE2 4.15Å; L152-F271 HydrophobicContact CD1-CG 3.77Å; L152-F271 HydrophobicContact CD2-CB 4.34Å; L152-F271 HydrophobicContact CD2-CD1 3.47Å; L152-F271 VanDerWaalsContact CD2-CD1 3.47Å; L152-F271 HydrophobicContact CD2-CD2 4.19Å; L152-F271 HydrophobicContact CD2-CE1 3.6Å; L152-F271 HydrophobicContact CD2-CE2 4.35Å; L152-F271 HydrophobicContact CD2-CG 3.75Å; L152-F271 HydrophobicContact CD2-CZ 4.04Å; L152-F271 HydrophobicContact CG-CD1 4.47Å; L152-F271 HydrophobicContact CG-CG 4.31Å; L156-F271 HydrophobicContact CD1-CE1 4.45Å; L156-F271 HydrophobicContact CD1-CZ 4.24Å; Y178-F271 AromaticContact CD1-CE2 3.74Å; Y178-F271 HydrophobicContact CD1-CE2 3.74Å; Y178-F271 AromaticContact CD1-CZ 3.36Å; Y178-F271 HydrophobicContact CD1-CZ 3.36Å; Y178-F271 AromaticContact CE1-CE2 3.95Å; Y178-F271 HydrophobicContact CE1-CE2 3.95Å; Y178-F271 AromaticContact CE1-CZ 3.88Å; Y178-F271 HydrophobicContact CE1-CZ 3.88Å; Y178-F271 AromaticContact CG-CZ 3.73Å; Y178-F271 HydrophobicContact CG-CZ 3.73Å; Y178-F271 VanDerWaalsContact O-CE1 3.26Å; Y178-F271 WeakPolarHBondContact O-CE1 3.48Å; D182-F271 HydrophobicContact CB-CD1 3.73Å; D182-F271 HydrophobicContact CB-CE1 4.2Å; D182-F271 VanDerWaalsContact OD1-CA 3.27Å; D182-F271 WeakPolarHBondContact OD1-CA 3.19Å; G197-F271 CarbonylContact C-O 3.58Å; G197-F271 WeakPolarHBondContact CA-O 3.32Å; S198-F271 PolarHBondContact N-O 3.21Å; S198-F271 VanDerWaalsContact N-O 3.07Å; S198-F271 PolarHBondContact O-N 3.26Å; A200-F271 HydrophobicContact CB-CD2 4.09Å; A200-F271 HydrophobicContact CB-CE2 3.54Å; A200-F271 HydrophobicContact CB-CZ 4.45Å; V215-F271 HydrophobicContact CB-CD2 4.4Å; V215-F271 HydrophobicContact CB-CE2 4.07Å; V215-F271 HydrophobicContact CG1-CD2 3.98Å; V215-F271 HydrophobicContact CG1-CE2 4.11Å; V215-F271 HydrophobicContact CG2-CE2 4.13Å; F271-A282 HydrophobicContact CD1-CB 4Å; F271-A282 HydrophobicContact CD2-CB 4.48Å; F271-A282 HydrophobicContact CE1-CB 4.19Å; F271-A282 HydrophobicContact CG-CB 4.19Å; F271-A282 HydrophobicContact CZ-CB 4.49Å
272	G	97.6	Very high	97.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.4	-136.7	-177.7	0	0	0	0	0	112.2	D182 D196 R274 K277	D182-G272 PolarHBondContact OD1-N 2.93Å; D196-G272 WeakPolarHBondContact O-CA 3.35Å; G272-R274 PolarHBondContact O-N 2.97Å; G272-K277 WeakPolarHBondContact O-CE 3.31Å; G272-K277 PolarHBondContact O-NZ 3.14Å; G272-K277 VanDerWaalsContact O-NZ 3.09Å
273	N	97.2	Very high	97.5	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.027	18%	0.182	C	C	.	.			trans	49.9	53.9	-174	-59.2	120.2	0	0	0	113.1	H143 D195 D196 A270 L275 L276 K277	H143-N273 PolarHBondContact CD2-ND2 3.36Å; H143-N273 PolarHBondContact NE2-ND2 2.86Å; H143-N273 VanDerWaalsContact NE2-ND2 3.13Å; H143-N273 PolarHBondContact NE2-OD1 3.4Å; D195-N273 PolarHBondContact O-ND2 3.02Å; D195-N273 VanDerWaalsContact O-ND2 3.13Å; D195-N273 VanDerWaalsContact OD1-CA 3.26Å; D195-N273 WeakPolarHBondContact OD1-CA 3.31Å; D196-N273 PolarHBondContact O-N 3.35Å; A270-N273 VanDerWaalsContact CB-OD1 3.27Å; A270-N273 WeakPolarHBondContact CB-OD1 3.04Å; N273-L275 PolarHBondContact O-N 2.76Å; N273-L275 VanDerWaalsContact O-N 3.1Å; N273-L276 HydrophobicContact CB-CB 4.24Å; N273-L276 HydrophobicContact CB-CD1 4.4Å; N273-L276 PolarHBondContact O-N 2.66Å; N273-K277 PolarHBondContact O-N 3.35Å
274	R	95.5	Very high	97.6	Very high	73 Å²	73	32.4 Å²	32.4	28%	0.275	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-44.4	-44.3	-179.6	-174.4	179.5	-70.3	-174.1	10.7	112.8	L186 E189 D195 G272 L276 K277	L186-R274 HydrophobicContact CD2-CB 3.73Å; L186-R274 HydrophobicContact CD2-CG 4.27Å; L186-R274 PolarHBondContact O-NH2 2.7Å; E189-R274 PolarHBondContact O-NH2 2.81Å; D195-R274 PolarHBondContact OD1-N 2.86Å; G272-R274 PolarHBondContact O-N 2.97Å; R274-L276 PolarHBondContact O-N 3.06Å; R274-K277 PolarHBondContact O-N 2.6Å
275	L	94.9	Very high	97.7	Very high	114 Å²	114	30.7 Å²	30.7	60%	0.597	16%	0.156	S	C	*	.	G	3₁₀ helix	trans	-72	-16.1	-175.6	-59.7	-179.8	0	0	0	113.3	D195 N273	D195-L275 HydrophobicContact CB-CD1 4.14Å; D195-L275 HydrophobicContact CB-CG 4.3Å; D195-L275 PolarHBondContact OD1-N 2.99Å; N273-L275 PolarHBondContact O-N 2.76Å; N273-L275 VanDerWaalsContact O-N 3.1Å
276	L	96.3	Very high	97.8	Very high	15 Å²	15	31.4 Å²	31.4	8%	0.079	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-104.5	-1.8	177.9	-62.8	177	0	0	0	113.2	V264 L265 N273 R274 Y279 V280	V264-L276 HydrophobicContact CB-CD1 4.4Å; V264-L276 HydrophobicContact CG1-CD1 4.4Å; L265-L276 HydrophobicContact CB-CD1 3.49Å; L265-L276 VanDerWaalsContact CB-CD1 3.49Å; L265-L276 HydrophobicContact CD2-CD1 4.05Å; L265-L276 HydrophobicContact CG-CD1 4.37Å; N273-L276 HydrophobicContact CB-CB 4.24Å; N273-L276 HydrophobicContact CB-CD1 4.4Å; N273-L276 PolarHBondContact O-N 2.66Å; R274-L276 PolarHBondContact O-N 3.06Å; L276-Y279 WeakPolarHBondContact O-CA 3.29Å; L276-Y279 VanDerWaalsContact O-CB 3.32Å; L276-Y279 WeakPolarHBondContact O-CB 3.25Å; L276-Y279 WeakPolarHBondContact O-CD2 3.5Å; L276-Y279 PolarHBondContact O-N 3.16Å; L276-V280 HydrophobicContact CB-CB 4.14Å; L276-V280 HydrophobicContact CB-CG2 3.71Å; L276-V280 HydrophobicContact CD1-CG2 4.08Å; L276-V280 PolarHBondContact O-N 3.21Å
277	K	96	Very high	97.8	Very high	52 Å²	52	35.2 Å²	35.2	23%	0.226	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	135.6	166.2	-57.3	-50.1	-157.3	-166.8	0	109	D182 L186 A270 G272 N273 R274 V280	D182-K277 IonicContact OD1-NZ 3.87Å; D182-K277 WeakPolarHBondContact OD2-CE 3.39Å; D182-K277 IonicContact OD2-NZ 2.78Å; D182-K277 PolarHBondContact OD2-NZ 2.98Å; L186-K277 HydrophobicContact CD1-CG 4.24Å; A270-K277 PolarHBondContact O-NZ 3.23Å; A270-K277 VanDerWaalsContact O-NZ 3.13Å; G272-K277 WeakPolarHBondContact O-CE 3.31Å; G272-K277 PolarHBondContact O-NZ 3.14Å; G272-K277 VanDerWaalsContact O-NZ 3.09Å; N273-K277 PolarHBondContact O-N 3.35Å; R274-K277 PolarHBondContact O-N 2.6Å; K277-V280 WeakPolarHBondContact CD-O 2.93Å; K277-V280 PolarHBondContact NZ-O 3.41Å
278	P	96.7	Very high	97.8	Very high	83 Å²	83	38.4 Å²	38.4	54%	0.539	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	cis	-95.7	9.3	10.1	38.5	-36.7	0	0	0	114.7
279	Y	98.2	Very high	97.7	Very high	71 Å²	71	40.7 Å²	40.7	28%	0.278	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-32.7	-174.5	-41.8	-57.5	0	0	0	112.7	R245 A249 G251 L276	R245-Y279 VanDerWaalsContact CZ-O 3.23Å; R245-Y279 PolarHBondContact NH1-O 3.45Å; R245-Y279 PolarHBondContact NH2-O 3.4Å; A249-Y279 HydrophobicContact CB-CD1 4.07Å; A249-Y279 WeakPolarHBondContact O-CE1 3.32Å; G251-Y279 VanDerWaalsContact CA-CD1 3.42Å; G251-Y279 VanDerWaalsContact N-CE1 3.27Å; L276-Y279 WeakPolarHBondContact O-CA 3.29Å; L276-Y279 VanDerWaalsContact O-CB 3.32Å; L276-Y279 WeakPolarHBondContact O-CB 3.25Å; L276-Y279 WeakPolarHBondContact O-CD2 3.5Å; L276-Y279 PolarHBondContact O-N 3.16Å
280	V	98.5	Very high	97.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-103.1	120.4	174.2	177.6	0	0	0	0	108.6	V261 L265 S268 A270 L276 K277	V261-V280 HydrophobicContact CB-CG2 4.29Å; V261-V280 HydrophobicContact CG1-CG2 4.08Å; V261-V280 HydrophobicContact CG2-CG2 4.37Å; L265-V280 HydrophobicContact CD2-CB 4.48Å; L265-V280 HydrophobicContact CD2-CG1 3.91Å; L265-V280 HydrophobicContact CD2-CG2 3.8Å; S268-V280 WeakPolarHBondContact O-CA 2.8Å; A270-V280 HydrophobicContact CB-CG1 3.71Å; L276-V280 HydrophobicContact CB-CB 4.14Å; L276-V280 HydrophobicContact CB-CG2 3.71Å; L276-V280 HydrophobicContact CD1-CG2 4.08Å; L276-V280 PolarHBondContact O-N 3.21Å; K277-V280 WeakPolarHBondContact CD-O 2.93Å; K277-V280 PolarHBondContact NZ-O 3.41Å
281	V	98.6	Very high	97.3	Very high	37 Å²	37	44.7 Å²	44.7	22%	0.224	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-112.6	154.2	-174.7	-63.5	0	0	0	0	111.2	R269 A270 E283	R269-V281 CarbonylContact C-O 3.54Å; R269-V281 WeakPolarHBondContact CA-O 3.18Å; R269-V281 VanDerWaalsContact CB-O 3.25Å; R269-V281 WeakPolarHBondContact CB-O 3.16Å; R269-V281 HydrophobicContact CG-CG2 3.92Å; A270-V281 PolarHBondContact N-O 2.93Å; A270-V281 CarbonylContact O-C 3.47Å; V281-E283 HydrophobicContact CG2-CB 4.37Å
282	A	98.6	Very high	96.9	Very high	5 Å²	5	47.2 Å²	47.2	4%	0.041	24%	0.237	C	C	.	.			trans	-98.9	12.8	173.6	0	0	0	0	0	112.8	D182 V215 F271 P284	D182-A282 HydrophobicContact CB-CB 3.53Å; D182-A282 VanDerWaalsContact CG-CB 3.48Å; D182-A282 WeakPolarHBondContact OD2-CB 3.38Å; V215-A282 WeakPolarHBondContact CG2-O 3.22Å; F271-A282 HydrophobicContact CD1-CB 4Å; F271-A282 HydrophobicContact CD2-CB 4.48Å; F271-A282 HydrophobicContact CE1-CB 4.19Å; F271-A282 HydrophobicContact CG-CB 4.19Å; F271-A282 HydrophobicContact CZ-CB 4.49Å; A282-P284 WeakPolarHBondContact O-CD 3.36Å
283	E	98.6	Very high	96.6	Very high	58 Å²	58	50 Å²	50	27%	0.271	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-68.9	120.5	175.4	-175.8	59.6	-149.5	0	0	110.1	S175 Q179 R269 V281	S175-E283 WeakPolarHBondContact CB-OE1 3.36Å; S175-E283 PolarHBondContact OG-OE1 3.47Å; Q179-E283 VanDerWaalsContact CG-OE2 3.28Å; Q179-E283 WeakPolarHBondContact CG-OE2 3.11Å; Q179-E283 PolarHBondContact NE2-OE2 3.09Å; R269-E283 WeakPolarHBondContact CD-O 3.19Å; R269-E283 PolarHBondContact NH1-O 3.41Å; V281-E283 HydrophobicContact CG2-CB 4.37Å
284	P	98.7	Very high	96.3	Very high	7 Å²	7	51.1 Å²	51.1	5%	0.045	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-75.2	155.6	-180	29.3	-33	0	0	0	112.7	I174 Y178 A213 N214 V215 A282 I286	I174-P284 HydrophobicContact CG2-CG 4.04Å; Y178-P284 HydrophobicContact CD1-CB 3.65Å; Y178-P284 HydrophobicContact CD1-CG 3.67Å; Y178-P284 HydrophobicContact CD2-CG 4.45Å; Y178-P284 HydrophobicContact CE1-CB 3.78Å; Y178-P284 HydrophobicContact CE1-CG 4.21Å; Y178-P284 HydrophobicContact CG-CB 4.3Å; Y178-P284 HydrophobicContact CG-CG 3.82Å; A213-P284 HydrophobicContact CB-CB 4.11Å; N214-P284 VanDerWaalsContact O-CA 3.31Å; N214-P284 WeakPolarHBondContact O-CA 3.4Å; V215-P284 HydrophobicContact CG2-CB 4.01Å; A282-P284 WeakPolarHBondContact O-CD 3.36Å; P284-I286 HydrophobicContact CB-CG1 4.21Å; P284-I286 HydrophobicContact CG-CD1 4.24Å; P284-I286 HydrophobicContact CG-CG1 4.13Å
285	E	98.7	Very high	96.3	Very high	51 Å²	51	47.7 Å²	47.7	24%	0.238	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	131.7	153.9	-68.4	-174.6	169.5	0	0	108.8	A213 N214 H235 R239 R269	A213-E285 CarbonylContact C-O 3.5Å; A213-E285 VanDerWaalsContact CA-O 3.32Å; A213-E285 WeakPolarHBondContact CA-O 3.4Å; N214-E285 PolarHBondContact N-O 2.66Å; N214-E285 PolarHBondContact O-N 2.95Å; H235-E285 WeakPolarHBondContact NE2-CG 3.38Å; H235-E285 IonicContact NE2-OE1 3.06Å; H235-E285 IonicContact NE2-OE2 2.65Å; H235-E285 PolarHBondContact NE2-OE2 3.31Å; R239-E285 IonicContact CZ-OE1 3.35Å; R239-E285 IonicContact CZ-OE2 3.55Å; R239-E285 IonicContact NH1-OE1 3.29Å; R239-E285 PolarHBondContact NH1-OE1 2.98Å; R239-E285 IonicContact NH1-OE2 3.27Å; R239-E285 PolarHBondContact NH1-OE2 3.3Å; R239-E285 IonicContact NH2-OE1 3.4Å; R239-E285 PolarHBondContact NH2-OE1 2.72Å; R239-E285 IonicContact NH2-OE2 3.55Å; R269-E285 IonicContact CZ-OE1 3.49Å; R269-E285 IonicContact NH1-OE1 2.74Å; R269-E285 IonicContact NH2-OE1 3.33Å; R269-E285 PolarHBondContact NH2-OE1 2.83Å
286	I	98.7	Very high	96.4	Very high	29 Å²	29	45.4 Å²	45.4	15%	0.149	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.9	-174	-49.6	169.8	0	0	0	109.8	K171 I174 V212 A213 P284	K171-I286 HydrophobicContact CB-CD1 4.48Å; K171-I286 HydrophobicContact CG-CB 4.37Å; K171-I286 HydrophobicContact CG-CD1 4.21Å; K171-I286 HydrophobicContact CG-CG2 3.87Å; K171-I286 WeakPolarHBondContact O-CD1 3.4Å; I174-I286 HydrophobicContact CB-CD1 3.83Å; I174-I286 HydrophobicContact CD1-CG2 4.44Å; I174-I286 HydrophobicContact CG2-CD1 3.55Å; I174-I286 HydrophobicContact CG2-CG1 4Å; V212-I286 CarbonylContact O-C 3.55Å; V212-I286 VanDerWaalsContact O-CA 3.29Å; V212-I286 WeakPolarHBondContact O-CA 3.46Å; A213-I286 HydrophobicContact CB-CG1 4.09Å; P284-I286 HydrophobicContact CB-CG1 4.21Å; P284-I286 HydrophobicContact CG-CD1 4.24Å; P284-I286 HydrophobicContact CG-CG1 4.13Å
287	Q	98.2	Very high	96.4	Very high	104 Å²	104	44.7 Å²	44.7	49%	0.486	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	149.5	168.5	-65.9	-62.1	-26	0	0	110.2	Y211 V212 L231	Y211-Q287 CarbonylContact C-O 3.6Å; Y211-Q287 WeakPolarHBondContact CA-O 3.37Å; V212-Q287 PolarHBondContact N-O 3.21Å; V212-Q287 PolarHBondContact O-N 3.29Å; L231-Q287 WeakPolarHBondContact O-CB 3.35Å; L231-Q287 WeakPolarHBondContact O-CG 3.33Å
288	E	97.2	Very high	96.6	Very high	81 Å²	81	42.3 Å²	42.3	38%	0.379	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	137.5	178	-82.8	172.2	-166.3	0	0	110.2	K171 L210 Y211	K171-E288 WeakPolarHBondContact CD-OE1 3.44Å; K171-E288 WeakPolarHBondContact CE-OE1 3.45Å; K171-E288 WeakPolarHBondContact CG-OE1 3.31Å; K171-E288 IonicContact NZ-OE1 3.96Å; K171-E288 PolarHBondContact NZ-OE1 2.86Å; K171-E288 IonicContact NZ-OE2 3.75Å; K171-E288 PolarHBondContact NZ-OE2 3.01Å; L210-E288 CarbonylContact O-C 3.58Å; L210-E288 VanDerWaalsContact O-CA 3.31Å; L210-E288 WeakPolarHBondContact O-CA 3.2Å; Y211-E288 HydrophobicContact CD1-CG 3.41Å; Y211-E288 VanDerWaalsContact CD1-CG 3.41Å; Y211-E288 WeakPolarHBondContact CD1-OE1 3.39Å; Y211-E288 VanDerWaalsContact CE1-CD 3.49Å; Y211-E288 HydrophobicContact CE1-CG 3.57Å; Y211-E288 WeakPolarHBondContact CE1-OE1 3.13Å; Y211-E288 HydrophobicContact CG-CG 4.2Å
289	E	96.5	Very high	96.7	Very high	48 Å²	48	38.3 Å²	38.3	22%	0.224	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	147.9	171.4	-72.7	-72.8	151	0	0	110.1	L210 K224 M229 L231 L295	L210-E289 WeakPolarHBondContact CB-O 3.37Å; L210-E289 PolarHBondContact N-O 3.41Å; L210-E289 PolarHBondContact O-N 3.45Å; K224-E289 IonicContact NZ-OE2 3.7Å; K224-E289 PolarHBondContact NZ-OE2 2.89Å; M229-E289 HydrophobicContact CE-CG 4.15Å; M229-E289 VanDerWaalsContact CE-OE1 3.3Å; M229-E289 WeakPolarHBondContact CE-OE1 2.91Å; L231-E289 HydrophobicContact CD1-CG 4.39Å; L231-E289 HydrophobicContact CD2-CG 3.78Å; E289-L295 HydrophobicContact CB-CD1 4.42Å
290	Q	95.8	Very high	96.7	Very high	78 Å²	78	35 Å²	35	36%	0.364	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	122.9	168.4	-170.2	67.1	35.2	0	0	109.2	D208 H209 S292 L295	D208-Q290 PolarHBondContact O-NE2 3.45Å; D208-Q290 PolarHBondContact OD1-NE2 2.89Å; D208-Q290 PolarHBondContact OD2-NE2 2.91Å; H209-Q290 PolarHBondContact CD2-OE1 3.47Å; H209-Q290 PolarHBondContact CE1-OE1 2.96Å; H209-Q290 VanDerWaalsContact CE1-OE1 3.29Å; H209-Q290 PolarHBondContact NE2-OE1 3.45Å; Q290-S292 PolarHBondContact O-N 2.98Å; Q290-S292 VanDerWaalsContact O-N 3.07Å; Q290-L295 WeakPolarHBondContact O-CD1 3.4Å
291	V	94	Very high	96.7	Very high	27 Å²	27	35 Å²	35	16%	0.164	20%	0.199	C	C	.	.			trans	-63.5	114	173.2	179.5	0	0	0	0	109	L205 D208 L210 F351	L205-V291 HydrophobicContact CD1-CG2 3.57Å; D208-V291 WeakPolarHBondContact O-CB 3.35Å; D208-V291 WeakPolarHBondContact O-CG2 3.21Å; D208-V291 PolarHBondContact O-N 2.67Å; L210-V291 HydrophobicContact CB-CG2 4.14Å; V291-F351 HydrophobicContact CG1-CD1 3.86Å; V291-F351 HydrophobicContact CG1-CE1 4.36Å; V291-F351 HydrophobicContact CG1-CG 4.3Å; V291-F351 HydrophobicContact CG2-CD1 4.25Å; V291-F351 HydrophobicContact CG2-CE1 3.91Å
292	S	90.3	Very high	96.7	Very high	53 Å²	53	33.2 Å²	33.2	37%	0.371	19%	0.188	S	C	.	.			trans	-132.7	165.2	-177.5	58.8	0	0	0	0	109.6	Q290 G294 L295 H353	Q290-S292 PolarHBondContact O-N 2.98Å; Q290-S292 VanDerWaalsContact O-N 3.07Å; S292-G294 PolarHBondContact O-N 3.31Å; S292-L295 PolarHBondContact O-N 3.27Å; S292-H353 VanDerWaalsContact C-CE1 3.45Å; S292-H353 PolarHBondContact O-CE1 3.22Å; S292-H353 PolarHBondContact O-NE2 3.41Å
293	G	90.9	Very high	96.7	Very high	60 Å²	60	34 Å²	34	62%	0.619	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-12.5	-176.1	0	0	0	0	0	116
294	G	92.4	Very high	96.7	Very high	28 Å²	28	31.3 Å²	31.3	29%	0.289	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-15.8	173.3	0	0	0	0	0	114.8	K224 A225 S292	K224-G294 CarbonylContact C-O 3.53Å; K224-G294 VanDerWaalsContact CA-O 3.31Å; K224-G294 WeakPolarHBondContact CA-O 3.24Å; A225-G294 PolarHBondContact N-O 3.07Å; S292-G294 PolarHBondContact O-N 3.31Å
295	L	95.5	Very high	96.7	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	118.3	179	-59.8	-173.3	0	0	0	109.9	I222 S223 K224 E289 Q290 S292 F351 H353	I222-L295 HydrophobicContact CD1-CB 4.23Å; I222-L295 HydrophobicContact CD1-CD1 3.68Å; I222-L295 HydrophobicContact CD1-CD2 3.9Å; I222-L295 HydrophobicContact CD1-CG 4.14Å; I222-L295 HydrophobicContact CG1-CD2 4.24Å; S223-L295 WeakPolarHBondContact O-CA 3.08Å; K224-L295 HydrophobicContact CB-CD2 3.82Å; K224-L295 HydrophobicContact CD-CD2 3.84Å; K224-L295 HydrophobicContact CG-CD2 3.73Å; E289-L295 HydrophobicContact CB-CD1 4.42Å; Q290-L295 WeakPolarHBondContact O-CD1 3.4Å; S292-L295 PolarHBondContact O-N 3.27Å; L295-F351 HydrophobicContact CB-CD2 4.32Å; L295-F351 WeakPolarHBondContact O-CB 3.44Å; L295-H353 PolarHBondContact O-NE2 3.44Å
296	E	96	Very high	96.7	Very high	67 Å²	67	29.3 Å²	29.3	31%	0.313	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-45.6	-169.8	-60.7	155.5	118.6	0	0	112.2	S223 G226 R319 Q350 F351	S223-E296 PolarHBondContact O-N 3.35Å; S223-E296 PolarHBondContact OG-OE2 2.79Å; G226-E296 VanDerWaalsContact CA-OE2 3.31Å; G226-E296 WeakPolarHBondContact CA-OE2 3.31Å; G226-E296 PolarHBondContact N-OE2 3.13Å; E296-R319 HydrophobicContact CB-CG 4.06Å; E296-R319 WeakPolarHBondContact OE1-CD 3.32Å; E296-R319 IonicContact OE1-NE 3.32Å; E296-R319 WeakPolarHBondContact OE2-CD 3.44Å; E296-R319 IonicContact OE2-NE 3.16Å; E296-Q350 WeakPolarHBondContact O-CA 3.43Å; E296-F351 PolarHBondContact O-N 2.99Å
297	C	97.4	Very high	96.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	154.1	178.1	73.3	0	0	0	0	112	I222 S223 R319 V349 Q350	I222-C297 CarbonylContact C-O 3.54Å; I222-C297 WeakPolarHBondContact CA-O 3.22Å; I222-C297 WeakPolarHBondContact CG1-O 3.39Å; S223-C297 PolarHBondContact N-O 2.72Å; C297-R319 HydrophobicContact CB-CG 4.33Å; C297-V349 CarbonylContact C-O 3.57Å; C297-V349 WeakPolarHBondContact CA-O 3.37Å; C297-V349 WeakPolarHBondContact CB-O 3.36Å; C297-Q350 HydrophobicContact CB-CG 4.17Å
298	L	98.5	Very high	96.7	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.5	172.3	173.2	69.3	0	0	0	108.8	A203 L210 A220 I222 L231 L300 V348 V349 F351	A203-L298 HydrophobicContact CB-CD2 3.48Å; A203-L298 VanDerWaalsContact CB-CD2 3.48Å; L210-L298 HydrophobicContact CD1-CD2 4.25Å; L210-L298 HydrophobicContact CD2-CD2 4.35Å; A220-L298 HydrophobicContact CB-CD1 4.4Å; I222-L298 HydrophobicContact CB-CD1 4.02Å; I222-L298 HydrophobicContact CG1-CB 4.34Å; I222-L298 HydrophobicContact CG1-CD1 4.38Å; L231-L298 HydrophobicContact CD1-CD1 4.16Å; L298-L300 HydrophobicContact CD2-CD1 3.77Å; L298-L300 HydrophobicContact CG-CD1 3.8Å; L298-V348 CarbonylContact O-C 3.55Å; L298-V348 WeakPolarHBondContact O-CA 3.37Å; L298-V349 HydrophobicContact CB-CB 4.3Å; L298-V349 PolarHBondContact N-O 2.93Å; L298-V349 PolarHBondContact O-N 3.45Å; L298-F351 HydrophobicContact CB-CE2 3.95Å; L298-F351 HydrophobicContact CB-CZ 4.25Å
299	V	98.8	Very high	96.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.1	175.7	-175.5	0	0	0	0	108.6	A220 V221 L305 W306 L331 I347 V348	A220-V299 CarbonylContact C-O 3.52Å; A220-V299 VanDerWaalsContact CA-O 3.31Å; A220-V299 WeakPolarHBondContact CA-O 3Å; V221-V299 PolarHBondContact N-O 3.47Å; V221-V299 PolarHBondContact O-N 3.23Å; V299-L305 HydrophobicContact CG1-CD2 4.4Å; V299-W306 HydrophobicContact CB-CH2 4.12Å; V299-W306 HydrophobicContact CG1-CH2 3.76Å; V299-W306 HydrophobicContact CG1-CZ2 3.97Å; V299-L331 HydrophobicContact CG1-CD1 4.16Å; V299-I347 CarbonylContact C-O 3.54Å; V299-I347 WeakPolarHBondContact CA-O 3.47Å; V299-V348 HydrophobicContact CG2-CG2 4.34Å
300	L	98.9	Very high	96.8	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133	168.5	-58.4	91.5	0	0	0	108.4	F137 V139 S201 A203 R219 A220 L298 C346 I347	F137-L300 HydrophobicContact CB-CD1 4.26Å; V139-L300 HydrophobicContact CG2-CB 4.01Å; S201-L300 WeakPolarHBondContact O-CD2 3.27Å; A203-L300 HydrophobicContact CB-CD1 4.12Å; A203-L300 HydrophobicContact CB-CD2 3.85Å; A203-L300 HydrophobicContact CB-CG 4.49Å; R219-L300 WeakPolarHBondContact O-CA 3.45Å; A220-L300 HydrophobicContact CB-CD2 4.48Å; A220-L300 HydrophobicContact CB-CG 4.16Å; L298-L300 HydrophobicContact CD2-CD1 3.77Å; L298-L300 HydrophobicContact CG-CD1 3.8Å; L300-C346 CarbonylContact O-C 3.55Å; L300-C346 WeakPolarHBondContact O-CA 3.21Å; L300-I347 HydrophobicContact CB-CB 4.41Å; L300-I347 HydrophobicContact CD1-CB 4.45Å; L300-I347 PolarHBondContact N-O 2.88Å; L300-I347 PolarHBondContact O-N 3.5Å
301	A	98.9	Very high	97	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	161.5	175.7	0	0	0	0	0	113.9	S218 R219 L305 W306 T345 C346	S218-A301 WeakPolarHBondContact CA-O 3.47Å; S218-A301 WeakPolarHBondContact CB-O 3.33Å; R219-A301 PolarHBondContact N-O 3.42Å; R219-A301 PolarHBondContact O-N 2.95Å; A301-L305 HydrophobicContact CB-CB 3.78Å; A301-L305 HydrophobicContact CB-CD2 3.39Å; A301-L305 HydrophobicContact CB-CG 4.2Å; A301-W306 HydrophobicContact CB-CZ2 3.91Å; A301-W306 PolarHBondContact O-NE1 3.18Å; A301-T345 CarbonylContact C-O 3.53Å; A301-T345 WeakPolarHBondContact CA-O 3.48Å; A301-T345 WeakPolarHBondContact CB-O 3.4Å; A301-C346 HydrophobicContact CB-CB 4.11Å
302	S	98.9	Very high	97.2	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.187	C	C	.	.			trans	-69.8	165.3	167.9	50.1	0	0	0	0	111.6	D120 D141 G304 L305 T345	D120-S302 PolarHBondContact OD2-OG 2.92Å; D141-S302 WeakPolarHBondContact OD2-CB 3.26Å; S302-G304 PolarHBondContact O-N 3.04Å; S302-L305 PolarHBondContact O-N 3.32Å; S302-L305 VanDerWaalsContact O-N 3.1Å; S302-T345 PolarHBondContact N-O 2.91Å; S302-T345 PolarHBondContact OG-N 3.47Å
303	D	98.4	Very high	97.6	Very high	23 Å²	23	32.1 Å²	32.1	12%	0.123	18%	0.181	C	C	.	.	H	α-helix	trans	-64	-23.3	180	73.3	-9.2	0	0	0	112.1	L305 W306 D307	D303-L305 CarbonylContact O-C 3.6Å; D303-L305 PolarHBondContact O-N 3.29Å; D303-W306 PolarHBondContact O-N 3.41Å; D303-D307 VanDerWaalsContact O-CB 3.32Å; D303-D307 WeakPolarHBondContact O-CB 3.46Å; D303-D307 PolarHBondContact O-N 3.21Å
304	G	98.5	Very high	97.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-53.8	-22.8	171.2	0	0	0	0	0	114.7	S302 S340 N343	S302-G304 PolarHBondContact O-N 3.04Å; G304-S340 WeakPolarHBondContact O-CB 3.28Å; G304-S340 PolarHBondContact O-OG 3.26Å; G304-N343 WeakPolarHBondContact CA-O 3.43Å
305	L	98.8	Very high	98.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-87.3	-55.9	165.9	-176.2	79	0	0	0	111.3	V299 A301 S302 D303 D307 V308 V309 L331 A335 I344	V299-L305 HydrophobicContact CG1-CD2 4.4Å; A301-L305 HydrophobicContact CB-CB 3.78Å; A301-L305 HydrophobicContact CB-CD2 3.39Å; A301-L305 HydrophobicContact CB-CG 4.2Å; S302-L305 PolarHBondContact O-N 3.32Å; S302-L305 VanDerWaalsContact O-N 3.1Å; D303-L305 CarbonylContact O-C 3.6Å; D303-L305 PolarHBondContact O-N 3.29Å; L305-D307 VanDerWaalsContact C-N 3.25Å; L305-D307 PolarHBondContact O-N 3.48Å; L305-V308 WeakPolarHBondContact O-CG2 3.4Å; L305-V308 PolarHBondContact O-N 3.04Å; L305-V308 VanDerWaalsContact O-N 3.13Å; L305-V309 HydrophobicContact CD1-CB 4.3Å; L305-V309 HydrophobicContact CD1-CG2 3.92Å; L305-V309 HydrophobicContact CG-CB 4.24Å; L305-V309 HydrophobicContact CG-CG2 4.35Å; L305-V309 PolarHBondContact O-N 3.13Å; L305-L331 HydrophobicContact CD1-CB 3.82Å; L305-L331 HydrophobicContact CD1-CD2 4.45Å; L305-L331 WeakPolarHBondContact CD1-O 3.36Å; L305-A335 HydrophobicContact CD1-CB 3.92Å; L305-I344 HydrophobicContact CB-CG2 4.17Å
306	W	98.7	Very high	98.3	Very high	16 Å²	16	33.5 Å²	33.5	6%	0.061	16%	0.163	C	C	.	.	H	α-helix	trans	-68.2	-19.7	-167.6	-57.3	119.1	0	0	0	114.6	R219 V221 V299 A301 D303 V308 A314	R219-W306 HydrophobicContact CB-CD2 4.24Å; R219-W306 HydrophobicContact CB-CG 4.13Å; R219-W306 HydrophobicContact CB-CZ2 4.46Å; R219-W306 WeakPolarHBondContact O-CZ2 3.49Å; R219-W306 PolarHBondContact O-NE1 2.94Å; V221-W306 HydrophobicContact CB-CH2 4.05Å; V221-W306 HydrophobicContact CG2-CH2 3.64Å; V221-W306 HydrophobicContact CG2-CZ2 4.14Å; V221-W306 HydrophobicContact CG2-CZ3 3.96Å; V299-W306 HydrophobicContact CB-CH2 4.12Å; V299-W306 HydrophobicContact CG1-CH2 3.76Å; V299-W306 HydrophobicContact CG1-CZ2 3.97Å; A301-W306 HydrophobicContact CB-CZ2 3.91Å; A301-W306 PolarHBondContact O-NE1 3.18Å; D303-W306 PolarHBondContact O-N 3.41Å; W306-V308 PolarHBondContact O-N 2.78Å; W306-A314 HydrophobicContact CH2-CB 3.88Å; W306-A314 HydrophobicContact CZ3-CB 3.55Å
307	D	97.5	Very high	98.4	Very high	111 Å²	111	30.8 Å²	30.8	59%	0.594	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-20.8	173.9	-88.9	1	0	0	0	113	D303 L305	D303-D307 VanDerWaalsContact O-CB 3.32Å; D303-D307 WeakPolarHBondContact O-CB 3.46Å; D303-D307 PolarHBondContact O-N 3.21Å; L305-D307 VanDerWaalsContact C-N 3.25Å; L305-D307 PolarHBondContact O-N 3.48Å
308	V	98.4	Very high	98.4	Very high	39 Å²	39	30.8 Å²	30.8	24%	0.236	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.1	-3.6	-172.1	-63.6	0	0	0	0	114.7	L305 W306 A335 R338	L305-V308 WeakPolarHBondContact O-CG2 3.4Å; L305-V308 PolarHBondContact O-N 3.04Å; L305-V308 VanDerWaalsContact O-N 3.13Å; W306-V308 PolarHBondContact O-N 2.78Å; V308-A335 VanDerWaalsContact CG2-CA 3.45Å; V308-A335 HydrophobicContact CG2-CB 3.51Å; V308-R338 HydrophobicContact CB-CB 4.09Å; V308-R338 HydrophobicContact CG2-CB 4.41Å; V308-R338 WeakPolarHBondContact O-CD 3.34Å; V308-R338 PolarHBondContact O-NH1 3.13Å; V308-R338 VanDerWaalsContact O-NH1 3.15Å
309	V	98.6	Very high	98.3	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.012	16%	0.163	C	C	.	.	S	Bend	trans	-126	123.4	176.2	-176.5	0	0	0	0	109.6	L305 E313 A314 L331 I334 A335	L305-V309 HydrophobicContact CD1-CB 4.3Å; L305-V309 HydrophobicContact CD1-CG2 3.92Å; L305-V309 HydrophobicContact CG-CB 4.24Å; L305-V309 HydrophobicContact CG-CG2 4.35Å; L305-V309 PolarHBondContact O-N 3.13Å; V309-E313 HydrophobicContact CG1-CB 4.24Å; V309-E313 HydrophobicContact CG1-CG 4.25Å; V309-A314 HydrophobicContact CG1-CB 4.19Å; V309-L331 HydrophobicContact CG1-CD2 4.26Å; V309-I334 HydrophobicContact CG2-CG2 3.99Å; V309-A335 HydrophobicContact CG2-CB 4.17Å
310	E	98.4	Very high	98.1	Very high	146 Å²	146	36.9 Å²	36.9	68%	0.682	18%	0.182	S	C	*	.			trans	-74.1	151	178.1	-65.7	-65.6	157.7	0	0	111.8	E312 E313 A314	E310-E312 VanDerWaalsContact C-N 3.31Å; E310-E312 PolarHBondContact O-N 2.99Å; E310-E313 PolarHBondContact O-N 2.85Å; E310-E313 VanDerWaalsContact O-N 3.09Å; E310-A314 PolarHBondContact O-N 2.61Å
311	N	98.7	Very high	98	Very high	38 Å²	38	38.5 Å²	38.5	20%	0.203	19%	0.19	C	C	.	.	H	α-helix	trans	-53.1	-44.3	-177.8	-68.4	-7	0	0	0	113.2	R219 V221 A228 E313 A314 V315	R219-N311 PolarHBondContact NH1-OD1 3.36Å; V221-N311 HydrophobicContact CG1-CB 4.03Å; V221-N311 HydrophobicContact CG2-CB 4.35Å; A228-N311 HydrophobicContact CB-CB 3.93Å; N311-E313 PolarHBondContact O-N 2.76Å; N311-A314 PolarHBondContact O-N 3.14Å; N311-V315 PolarHBondContact O-N 2.66Å
312	E	98.5	Very high	97.7	Very high	88 Å²	88	46.1 Å²	46.1	41%	0.411	23%	0.23	S	C	.	.	H	α-helix	trans	-66	-36.2	-179.1	-72	-73.8	-163.1	0	0	112.8	A228 E310 V315 F316	A228-E312 HydrophobicContact CB-CG 4.04Å; A228-E312 PolarHBondContact N-OE2 2.97Å; E310-E312 VanDerWaalsContact C-N 3.31Å; E310-E312 PolarHBondContact O-N 2.99Å; E312-V315 WeakPolarHBondContact O-CG2 3.45Å; E312-F316 VanDerWaalsContact O-CB 3.31Å; E312-F316 WeakPolarHBondContact O-CB 3.27Å; E312-F316 PolarHBondContact O-N 2.74Å; E312-F316 VanDerWaalsContact O-N 3.11Å
313	E	98.3	Very high	97.6	Very high	55 Å²	55	49.2 Å²	49.2	26%	0.257	25%	0.249	S	C	.	.	H	α-helix	trans	-70.7	-41.1	176.1	-178.8	172.6	-162.5	0	0	111	V309 E310 N311 V315 F316 L317 R338	V309-E313 HydrophobicContact CG1-CB 4.24Å; V309-E313 HydrophobicContact CG1-CG 4.25Å; E310-E313 PolarHBondContact O-N 2.85Å; E310-E313 VanDerWaalsContact O-N 3.09Å; N311-E313 PolarHBondContact O-N 2.76Å; E313-V315 PolarHBondContact O-N 2.81Å; E313-F316 PolarHBondContact O-N 3.28Å; E313-L317 HydrophobicContact CG-CD1 4.03Å; E313-L317 WeakPolarHBondContact O-CG 3.25Å; E313-L317 PolarHBondContact O-N 2.8Å; E313-R338 VanDerWaalsContact CD-NH2 3.26Å; E313-R338 IonicContact OE1-CZ 3.55Å; E313-R338 IonicContact OE1-NH1 3.75Å; E313-R338 IonicContact OE1-NH2 2.97Å; E313-R338 PolarHBondContact OE1-NH2 3.43Å; E313-R338 IonicContact OE2-CZ 2.7Å; E313-R338 VanDerWaalsContact OE2-CZ 3.3Å; E313-R338 IonicContact OE2-NH1 2.78Å; E313-R338 PolarHBondContact OE2-NH1 2.86Å; E313-R338 IonicContact OE2-NH2 3.13Å; E313-R338 PolarHBondContact OE2-NH2 2.94Å; E313-R338 VanDerWaalsContact OE2-NH2 3.07Å
314	A	98.6	Very high	97.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.6	-48.8	179.5	0	0	0	0	0	111.9	W306 V309 E310 N311 L317 G318 L331	W306-A314 HydrophobicContact CH2-CB 3.88Å; W306-A314 HydrophobicContact CZ3-CB 3.55Å; V309-A314 HydrophobicContact CG1-CB 4.19Å; E310-A314 PolarHBondContact O-N 2.61Å; N311-A314 PolarHBondContact O-N 3.14Å; A314-L317 PolarHBondContact O-N 2.81Å; A314-G318 PolarHBondContact O-N 3.5Å; A314-L331 HydrophobicContact CB-CD2 4.2Å
315	V	98.3	Very high	97.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-69.6	-33.9	177.9	-61.6	0	0	0	0	112.4	V221 A228 N311 E312 E313 G318 R319	V221-V315 HydrophobicContact CB-CG1 4.46Å; V221-V315 HydrophobicContact CG1-CG1 3.71Å; A228-V315 HydrophobicContact CB-CG1 4.11Å; A228-V315 HydrophobicContact CB-CG2 3.68Å; N311-V315 PolarHBondContact O-N 2.66Å; E312-V315 WeakPolarHBondContact O-CG2 3.45Å; E313-V315 PolarHBondContact O-N 2.81Å; V315-G318 PolarHBondContact O-N 3.06Å; V315-R319 VanDerWaalsContact C-NH1 3.34Å; V315-R319 WeakPolarHBondContact O-CG 3.2Å; V315-R319 PolarHBondContact O-N 3.35Å; V315-R319 VanDerWaalsContact O-N 3.09Å; V315-R319 PolarHBondContact O-NH1 3.49Å; V315-R319 VanDerWaalsContact O-NH1 3.15Å
316	F	98.1	Very high	97.4	Very high	118 Å²	118	53.8 Å²	53.8	52%	0.518	28%	0.276	S	S	.	.	H	α-helix	trans	-61.3	-46.7	176	172.7	-95.7	0	0	0	111.3	E312 E313 R319 S320	E312-F316 VanDerWaalsContact O-CB 3.31Å; E312-F316 WeakPolarHBondContact O-CB 3.27Å; E312-F316 PolarHBondContact O-N 2.74Å; E312-F316 VanDerWaalsContact O-N 3.11Å; E313-F316 PolarHBondContact O-N 3.28Å; F316-R319 PolarHBondContact O-N 2.83Å; F316-S320 WeakPolarHBondContact O-CB 3.46Å; F316-S320 PolarHBondContact O-N 3.4Å; F316-S320 PolarHBondContact O-OG 3.25Å
317	L	97.8	Very high	97.4	Very high	10 Å²	10	53 Å²	53	5%	0.052	27%	0.273	C	S	.	.	H	α-helix	trans	-66.6	-39.5	175.3	-68.3	170.5	0	0	0	111.6	E313 A314 R319 S320 E321 K330 L331 I334	E313-L317 HydrophobicContact CG-CD1 4.03Å; E313-L317 WeakPolarHBondContact O-CG 3.25Å; E313-L317 PolarHBondContact O-N 2.8Å; A314-L317 PolarHBondContact O-N 2.81Å; L317-R319 PolarHBondContact O-N 2.83Å; L317-R319 VanDerWaalsContact O-N 3.15Å; L317-S320 PolarHBondContact O-N 2.77Å; L317-E321 WeakPolarHBondContact O-CG 3.29Å; L317-E321 PolarHBondContact O-N 2.8Å; L317-K330 HydrophobicContact CD2-CD 4.03Å; L317-L331 HydrophobicContact CB-CD2 4.06Å; L317-L331 HydrophobicContact CB-CG 4.32Å; L317-L331 HydrophobicContact CD1-CD2 3.6Å; L317-L331 HydrophobicContact CD1-CG 4.34Å; L317-L331 HydrophobicContact CG-CD2 4.48Å; L317-I334 HydrophobicContact CD1-CD1 3.42Å; L317-I334 VanDerWaalsContact CD1-CD1 3.42Å
318	G	97.6	Very high	97.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-54.3	-30.7	173.5	0	0	0	0	0	114.3	A314 V315 Q350	A314-G318 PolarHBondContact O-N 3.5Å; V315-G318 PolarHBondContact O-N 3.06Å; G318-Q350 PolarHBondContact O-NE2 3.33Å
319	R	95.5	Very high	97.5	Very high	70 Å²	70	47.6 Å²	47.6	26%	0.264	24%	0.24	S	C	.	.	H	α-helix	trans	-95.7	-29.8	178.7	-64.8	-170.6	-52.4	-82.3	0.1	115.3	S223 G226 E296 C297 V315 F316 L317	S223-R319 WeakPolarHBondContact OG-CD 3.37Å; S223-R319 PolarHBondContact OG-NH1 3.16Å; G226-R319 PolarHBondContact O-NH1 2.96Å; G226-R319 PolarHBondContact O-NH2 2.99Å; G226-R319 VanDerWaalsContact O-NH2 3.09Å; E296-R319 HydrophobicContact CB-CG 4.06Å; E296-R319 WeakPolarHBondContact OE1-CD 3.32Å; E296-R319 IonicContact OE1-NE 3.32Å; E296-R319 WeakPolarHBondContact OE2-CD 3.44Å; E296-R319 IonicContact OE2-NE 3.16Å; C297-R319 HydrophobicContact CB-CG 4.33Å; V315-R319 VanDerWaalsContact C-NH1 3.34Å; V315-R319 WeakPolarHBondContact O-CG 3.2Å; V315-R319 PolarHBondContact O-N 3.35Å; V315-R319 VanDerWaalsContact O-N 3.09Å; V315-R319 PolarHBondContact O-NH1 3.49Å; V315-R319 VanDerWaalsContact O-NH1 3.15Å; F316-R319 PolarHBondContact O-N 2.83Å; L317-R319 PolarHBondContact O-N 2.83Å; L317-R319 VanDerWaalsContact O-N 3.15Å
320	S	95	Very high	97.4	Very high	59 Å²	59	51.2 Å²	51.2	41%	0.413	26%	0.255	S	S	.	.	H	α-helix	trans	-92.4	-15.2	-167.5	54	0	0	0	0	114.4	F316 L317	F316-S320 WeakPolarHBondContact O-CB 3.46Å; F316-S320 PolarHBondContact O-N 3.4Å; F316-S320 PolarHBondContact O-OG 3.25Å; L317-S320 PolarHBondContact O-N 2.77Å
321	E	96.3	Very high	97.4	Very high	34 Å²	34	44.2 Å²	44.2	16%	0.159	22%	0.223	C	C	.	.	S	Bend	trans	-81.5	149.2	175.7	-64.9	-64.9	135.7	0	0	112.1	L317 T323 S326 A327 K330	L317-E321 WeakPolarHBondContact O-CG 3.29Å; L317-E321 PolarHBondContact O-N 2.8Å; E321-T323 PolarHBondContact O-N 2.87Å; E321-S326 PolarHBondContact OE2-OG 3.23Å; E321-A327 HydrophobicContact CB-CB 3.95Å; E321-A327 HydrophobicContact CG-CB 4.1Å; E321-K330 VanDerWaalsContact CD-CD 3.48Å; E321-K330 HydrophobicContact CG-CD 4.2Å; E321-K330 WeakPolarHBondContact OE1-CD 3.41Å; E321-K330 WeakPolarHBondContact OE1-CE 3.48Å; E321-K330 IonicContact OE1-NZ 2.6Å; E321-K330 PolarHBondContact OE1-NZ 2.96Å
322	D	92.7	Very high	97.4	Very high	159 Å²	159	42.4 Å²	42.4	85%	0.85	21%	0.213	S	C	*	.	S	Bend	trans	-60.4	-33.6	-175.4	-67.6	-27.5	0	0	0	113.1
323	T	96.4	Very high	97.4	Very high	65 Å²	65	42 Å²	42	40%	0.399	21%	0.211	S	C	.	.	S	Bend	trans	-136.5	152.8	178.8	71	0	0	0	0	110.3	E321 E325 S326 A327	E321-T323 PolarHBondContact O-N 2.87Å; T323-E325 PolarHBondContact O-N 3.33Å; T323-S326 WeakPolarHBondContact O-CB 3.24Å; T323-S326 PolarHBondContact O-N 2.86Å; T323-S326 VanDerWaalsContact O-N 3.12Å; T323-S326 PolarHBondContact OG1-N 3.45Å; T323-S326 VanDerWaalsContact OG1-N 3.08Å; T323-A327 PolarHBondContact O-N 2.89Å
324	P	97.9	Very high	97.4	Very high	10 Å²	10	40.7 Å²	40.7	7%	0.065	21%	0.205	C	C	.	.	H	α-helix	trans	-63.9	-25.4	174.8	27.5	-36.1	0	0	0	112.3	C106 A327 A328 V348 Q350	C106-P324 VanDerWaalsContact C-CG 3.45Å; P324-A327 PolarHBondContact O-N 3.18Å; P324-A328 WeakPolarHBondContact O-CB 3.45Å; P324-A328 PolarHBondContact O-N 2.83Å; P324-V348 HydrophobicContact CB-CB 4.19Å; P324-V348 HydrophobicContact CB-CG1 4.07Å; P324-V348 WeakPolarHBondContact CB-O 3.32Å; P324-Q350 HydrophobicContact CB-CG 4.29Å
325	E	97.9	Very high	97.4	Very high	67 Å²	67	40.7 Å²	40.7	31%	0.313	21%	0.205	S	C	.	.	H	α-helix	trans	-66.5	-45.1	172.2	-178.5	178.4	176.7	0	0	111	S94 G95 G96 T323 A327 A328 R329	S94-E325 PolarHBondContact OG-OE1 3.3Å; G95-E325 VanDerWaalsContact CA-CD 3.48Å; G95-E325 PolarHBondContact N-OE1 3.44Å; G96-E325 PolarHBondContact N-OE2 3.12Å; T323-E325 PolarHBondContact O-N 3.33Å; E325-A327 VanDerWaalsContact C-N 3.29Å; E325-A327 PolarHBondContact O-N 3.31Å; E325-A328 PolarHBondContact O-N 3.32Å; E325-R329 WeakPolarHBondContact O-CB 3.47Å; E325-R329 PolarHBondContact O-N 3.48Å
326	S	97.4	Very high	97.4	Very high	43 Å²	43	45 Å²	45	30%	0.301	22%	0.222	S	C	.	.	H	α-helix	trans	-60	-41.7	174.6	-170.8	0	0	0	0	111.1	E321 T323 R329 K330	E321-S326 PolarHBondContact OE2-OG 3.23Å; T323-S326 WeakPolarHBondContact O-CB 3.24Å; T323-S326 PolarHBondContact O-N 2.86Å; T323-S326 VanDerWaalsContact O-N 3.12Å; T323-S326 PolarHBondContact OG1-N 3.45Å; T323-S326 VanDerWaalsContact OG1-N 3.08Å; S326-R329 PolarHBondContact O-N 3.36Å; S326-K330 VanDerWaalsContact O-CB 3.22Å; S326-K330 WeakPolarHBondContact O-CB 3.23Å; S326-K330 PolarHBondContact O-N 2.9Å
327	A	98.4	Very high	97.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58.2	-52.7	173.6	0	0	0	0	0	112.6	E321 T323 P324 E325 R329 K330 L331 V348	E321-A327 HydrophobicContact CB-CB 3.95Å; E321-A327 HydrophobicContact CG-CB 4.1Å; T323-A327 PolarHBondContact O-N 2.89Å; P324-A327 PolarHBondContact O-N 3.18Å; E325-A327 VanDerWaalsContact C-N 3.29Å; E325-A327 PolarHBondContact O-N 3.31Å; A327-R329 PolarHBondContact O-N 3.34Å; A327-K330 PolarHBondContact O-N 3.21Å; A327-L331 WeakPolarHBondContact O-CB 3.2Å; A327-L331 VanDerWaalsContact O-CG 3.25Å; A327-L331 WeakPolarHBondContact O-CG 3.25Å; A327-L331 PolarHBondContact O-N 2.84Å; A327-V348 HydrophobicContact CB-CB 4.27Å; A327-V348 HydrophobicContact CB-CG1 4.03Å; A327-V348 HydrophobicContact CB-CG2 3.95Å
328	A	98.6	Very high	97.4	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.1	-44.9	179.5	0	0	0	0	0	111.4	S109 P324 E325 L331 T332 V348	S109-A328 VanDerWaalsContact CB-C 3.47Å; S109-A328 WeakPolarHBondContact CB-O 3.38Å; P324-A328 WeakPolarHBondContact O-CB 3.45Å; P324-A328 PolarHBondContact O-N 2.83Å; E325-A328 PolarHBondContact O-N 3.32Å; A328-L331 PolarHBondContact O-N 3.46Å; A328-T332 WeakPolarHBondContact O-CG2 3.46Å; A328-T332 PolarHBondContact O-N 3.15Å; A328-T332 PolarHBondContact O-OG1 3.17Å; A328-V348 HydrophobicContact CB-CG2 4.04Å
329	R	97.9	Very high	97.3	Very high	36 Å²	36	50.9 Å²	50.9	14%	0.136	27%	0.267	C	S	.	.	H	α-helix	trans	-57.4	-52.6	176.6	-170.7	84.4	171.5	71.3	9.2	110.5	D89 Y92 E325 S326 A327 L331 T332 E333	D89-R329 IonicContact OD2-CZ 3.77Å; D89-R329 IonicContact OD2-NE 3.78Å; D89-R329 IonicContact OD2-NH2 3.24Å; D89-R329 PolarHBondContact OD2-NH2 2.87Å; Y92-R329 VanDerWaalsContact CD2-CZ 3.49Å; E325-R329 WeakPolarHBondContact O-CB 3.47Å; E325-R329 PolarHBondContact O-N 3.48Å; S326-R329 PolarHBondContact O-N 3.36Å; A327-R329 PolarHBondContact O-N 3.34Å; R329-L331 PolarHBondContact O-N 3.06Å; R329-T332 PolarHBondContact O-N 2.59Å; R329-T332 PolarHBondContact O-OG1 3.04Å; R329-E333 IonicContact CZ-OE1 2.78Å; R329-E333 IonicContact NH1-OE1 3.82Å; R329-E333 PolarHBondContact NH1-OE1 3.44Å; R329-E333 IonicContact NH2-OE1 2.97Å; R329-E333 PolarHBondContact NH2-OE1 3.09Å; R329-E333 WeakPolarHBondContact O-CG 3.49Å; R329-E333 PolarHBondContact O-N 3.3Å
330	K	98	Very high	97.5	Very high	77 Å²	77	47.8 Å²	47.8	34%	0.335	26%	0.256	S	S	.	.	H	α-helix	trans	-63	-39.6	-178.7	-172.5	169.9	-178.7	174.4	0	112.8	L317 E321 S326 A327 E333 I334	L317-K330 HydrophobicContact CD2-CD 4.03Å; E321-K330 VanDerWaalsContact CD-CD 3.48Å; E321-K330 HydrophobicContact CG-CD 4.2Å; E321-K330 WeakPolarHBondContact OE1-CD 3.41Å; E321-K330 WeakPolarHBondContact OE1-CE 3.48Å; E321-K330 IonicContact OE1-NZ 2.6Å; E321-K330 PolarHBondContact OE1-NZ 2.96Å; S326-K330 VanDerWaalsContact O-CB 3.22Å; S326-K330 WeakPolarHBondContact O-CB 3.23Å; S326-K330 PolarHBondContact O-N 2.9Å; A327-K330 PolarHBondContact O-N 3.21Å; K330-E333 PolarHBondContact O-N 3.41Å; K330-I334 HydrophobicContact CG-CD1 3.93Å; K330-I334 HydrophobicContact CG-CG1 4.46Å; K330-I334 WeakPolarHBondContact O-CB 3.1Å; K330-I334 VanDerWaalsContact O-CG1 3.28Å; K330-I334 WeakPolarHBondContact O-CG1 3.31Å; K330-I334 PolarHBondContact O-N 2.77Å
331	L	98.6	Very high	97.5	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.5	-48.2	174.2	-76.5	168.6	0	0	0	111.4	V299 L305 V309 A314 L317 A327 A328 R329 E333 I334 A335 V348	V299-L331 HydrophobicContact CG1-CD1 4.16Å; L305-L331 HydrophobicContact CD1-CB 3.82Å; L305-L331 HydrophobicContact CD1-CD2 4.45Å; L305-L331 WeakPolarHBondContact CD1-O 3.36Å; V309-L331 HydrophobicContact CG1-CD2 4.26Å; A314-L331 HydrophobicContact CB-CD2 4.2Å; L317-L331 HydrophobicContact CB-CD2 4.06Å; L317-L331 HydrophobicContact CB-CG 4.32Å; L317-L331 HydrophobicContact CD1-CD2 3.6Å; L317-L331 HydrophobicContact CD1-CG 4.34Å; L317-L331 HydrophobicContact CG-CD2 4.48Å; A327-L331 WeakPolarHBondContact O-CB 3.2Å; A327-L331 VanDerWaalsContact O-CG 3.25Å; A327-L331 WeakPolarHBondContact O-CG 3.25Å; A327-L331 PolarHBondContact O-N 2.84Å; A328-L331 PolarHBondContact O-N 3.46Å; R329-L331 PolarHBondContact O-N 3.06Å; L331-E333 VanDerWaalsContact C-N 3.34Å; L331-E333 PolarHBondContact O-N 2.83Å; L331-I334 PolarHBondContact O-N 2.71Å; L331-A335 PolarHBondContact O-N 2.89Å; L331-V348 HydrophobicContact CD1-CG2 3.86Å
332	T	98.2	Very high	97.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.1	-36.5	177.7	58.1	0	0	0	0	113.1	Y92 S109 A328 R329 Y336 I344 C346	Y92-T332 WeakPolarHBondContact CE1-OG1 3.38Å; S109-T332 PolarHBondContact OG-OG1 2.95Å; A328-T332 WeakPolarHBondContact O-CG2 3.46Å; A328-T332 PolarHBondContact O-N 3.15Å; A328-T332 PolarHBondContact O-OG1 3.17Å; R329-T332 PolarHBondContact O-N 2.59Å; R329-T332 PolarHBondContact O-OG1 3.04Å; T332-Y336 WeakPolarHBondContact O-CB 3.26Å; T332-Y336 PolarHBondContact O-N 3.25Å; T332-Y336 VanDerWaalsContact O-N 3.08Å; T332-I344 HydrophobicContact CG2-CB 4.46Å; T332-I344 HydrophobicContact CG2-CG2 3.87Å; T332-C346 HydrophobicContact CG2-CB 3.95Å
333	E	97.8	Very high	97.9	Very high	78 Å²	78	39.7 Å²	39.7	36%	0.364	22%	0.218	S	C	.	.	H	α-helix	trans	-67.9	-43.4	175.4	-72.5	178.6	165.1	0	0	112.6	Y92 R329 K330 L331 Y336 S337	Y92-E333 HydrophobicContact CE1-CG 4.18Å; R329-E333 IonicContact CZ-OE1 2.78Å; R329-E333 IonicContact NH1-OE1 3.82Å; R329-E333 PolarHBondContact NH1-OE1 3.44Å; R329-E333 IonicContact NH2-OE1 2.97Å; R329-E333 PolarHBondContact NH2-OE1 3.09Å; R329-E333 WeakPolarHBondContact O-CG 3.49Å; R329-E333 PolarHBondContact O-N 3.3Å; K330-E333 PolarHBondContact O-N 3.41Å; L331-E333 VanDerWaalsContact C-N 3.34Å; L331-E333 PolarHBondContact O-N 2.83Å; E333-Y336 PolarHBondContact O-N 3.2Å; E333-S337 VanDerWaalsContact O-CB 3.32Å; E333-S337 WeakPolarHBondContact O-CB 3.44Å; E333-S337 PolarHBondContact O-N 3.1Å; E333-S337 PolarHBondContact O-OG 2.87Å
334	I	98.1	Very high	98	Very high	28 Å²	28	36.6 Å²	36.6	14%	0.144	20%	0.199	C	C	.	.	H	α-helix	trans	-60.1	-48.9	176.6	-74.4	169	0	0	0	109.5	V309 L317 K330 L331 Y336 S337 R338	V309-I334 HydrophobicContact CG2-CG2 3.99Å; L317-I334 HydrophobicContact CD1-CD1 3.42Å; L317-I334 VanDerWaalsContact CD1-CD1 3.42Å; K330-I334 HydrophobicContact CG-CD1 3.93Å; K330-I334 HydrophobicContact CG-CG1 4.46Å; K330-I334 WeakPolarHBondContact O-CB 3.1Å; K330-I334 VanDerWaalsContact O-CG1 3.28Å; K330-I334 WeakPolarHBondContact O-CG1 3.31Å; K330-I334 PolarHBondContact O-N 2.77Å; L331-I334 PolarHBondContact O-N 2.71Å; I334-Y336 PolarHBondContact O-N 3.05Å; I334-S337 PolarHBondContact O-N 2.79Å; I334-S337 PolarHBondContact O-OG 3.49Å; I334-R338 HydrophobicContact CG2-CG 4.34Å; I334-R338 WeakPolarHBondContact O-CB 2.99Å; I334-R338 WeakPolarHBondContact O-CG 3.06Å; I334-R338 PolarHBondContact O-N 2.81Å
335	A	98.5	Very high	98	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.7	-45	178.8	0	0	0	0	0	112.6	L305 V308 V309 L331 S337 R338 G339 S340 I344	L305-A335 HydrophobicContact CD1-CB 3.92Å; V308-A335 VanDerWaalsContact CG2-CA 3.45Å; V308-A335 HydrophobicContact CG2-CB 3.51Å; V309-A335 HydrophobicContact CG2-CB 4.17Å; L331-A335 PolarHBondContact O-N 2.89Å; A335-S337 PolarHBondContact O-N 2.84Å; A335-R338 PolarHBondContact O-N 2.93Å; A335-G339 PolarHBondContact O-N 3.2Å; A335-S340 WeakPolarHBondContact O-CB 2.95Å; A335-S340 PolarHBondContact O-N 3.23Å; A335-I344 HydrophobicContact CB-CD1 3.96Å; A335-I344 HydrophobicContact CB-CG2 4.26Å
336	Y	97.8	Very high	98.1	Very high	91 Å²	91	33 Å²	33	36%	0.357	18%	0.181	S	C	.	.	H	α-helix	trans	-61.1	-45.9	175.4	-177.7	-108.1	0	0	0	112.5	F111 K114 T332 E333 I334 R338 G339	F111-Y336 HydrophobicContact CD1-CD2 4.27Å; F111-Y336 HydrophobicContact CD1-CG 4.39Å; F111-Y336 HydrophobicContact CE1-CD1 4.19Å; F111-Y336 AromaticContact CE1-CD2 3.58Å; F111-Y336 HydrophobicContact CE1-CD2 3.58Å; F111-Y336 HydrophobicContact CE1-CE1 4.43Å; F111-Y336 AromaticContact CE1-CE2 3.84Å; F111-Y336 HydrophobicContact CE1-CE2 3.84Å; F111-Y336 AromaticContact CE1-CG 3.75Å; F111-Y336 HydrophobicContact CE1-CG 3.75Å; F111-Y336 HydrophobicContact CZ-CE2 4.48Å; K114-Y336 HydrophobicContact CG-CE2 3.76Å; T332-Y336 WeakPolarHBondContact O-CB 3.26Å; T332-Y336 PolarHBondContact O-N 3.25Å; T332-Y336 VanDerWaalsContact O-N 3.08Å; E333-Y336 PolarHBondContact O-N 3.2Å; I334-Y336 PolarHBondContact O-N 3.05Å; Y336-R338 VanDerWaalsContact C-N 3.29Å; Y336-R338 PolarHBondContact O-N 2.93Å; Y336-G339 PolarHBondContact O-N 2.79Å; Y336-G339 VanDerWaalsContact O-N 3.08Å
337	S	97.7	Very high	98.1	Very high	94 Å²	94	30.9 Å²	30.9	66%	0.657	17%	0.166	S	C	*	.	H	α-helix	trans	-65	-31.8	-179.6	75.9	0	0	0	0	113	E333 I334 A335 G339	E333-S337 VanDerWaalsContact O-CB 3.32Å; E333-S337 WeakPolarHBondContact O-CB 3.44Å; E333-S337 PolarHBondContact O-N 3.1Å; E333-S337 PolarHBondContact O-OG 2.87Å; I334-S337 PolarHBondContact O-N 2.79Å; I334-S337 PolarHBondContact O-OG 3.49Å; A335-S337 PolarHBondContact O-N 2.84Å; S337-G339 PolarHBondContact O-N 3.41Å
338	R	98.3	Very high	98.1	Very high	119 Å²	119	30.9 Å²	30.9	45%	0.449	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	0.3	175.5	-72.6	-177.3	179.7	174	5.7	114	V308 E313 I334 A335 Y336	V308-R338 HydrophobicContact CB-CB 4.09Å; V308-R338 HydrophobicContact CG2-CB 4.41Å; V308-R338 WeakPolarHBondContact O-CD 3.34Å; V308-R338 PolarHBondContact O-NH1 3.13Å; V308-R338 VanDerWaalsContact O-NH1 3.15Å; E313-R338 VanDerWaalsContact CD-NH2 3.26Å; E313-R338 IonicContact OE1-CZ 3.55Å; E313-R338 IonicContact OE1-NH1 3.75Å; E313-R338 IonicContact OE1-NH2 2.97Å; E313-R338 PolarHBondContact OE1-NH2 3.43Å; E313-R338 IonicContact OE2-CZ 2.7Å; E313-R338 VanDerWaalsContact OE2-CZ 3.3Å; E313-R338 IonicContact OE2-NH1 2.78Å; E313-R338 PolarHBondContact OE2-NH1 2.86Å; E313-R338 IonicContact OE2-NH2 3.13Å; E313-R338 PolarHBondContact OE2-NH2 2.94Å; E313-R338 VanDerWaalsContact OE2-NH2 3.07Å; I334-R338 HydrophobicContact CG2-CG 4.34Å; I334-R338 WeakPolarHBondContact O-CB 2.99Å; I334-R338 WeakPolarHBondContact O-CG 3.06Å; I334-R338 PolarHBondContact O-N 2.81Å; A335-R338 PolarHBondContact O-N 2.93Å; Y336-R338 VanDerWaalsContact C-N 3.29Å; Y336-R338 PolarHBondContact O-N 2.93Å
339	G	97.2	Very high	98.1	Very high	38 Å²	38	31 Å²	31	39%	0.392	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.5	9.8	169	0	0	0	0	0	114.7	K114 A335 Y336 S337 A341	K114-G339 PolarHBondContact NZ-O 3.44Å; A335-G339 PolarHBondContact O-N 3.2Å; Y336-G339 PolarHBondContact O-N 2.79Å; Y336-G339 VanDerWaalsContact O-N 3.08Å; S337-G339 PolarHBondContact O-N 3.41Å; G339-A341 PolarHBondContact O-N 3.21Å
340	S	97.9	Very high	98.1	Very high	6 Å²	6	30.3 Å²	30.3	4%	0.042	17%	0.165	C	C	.	.			trans	-45.8	132.5	169.7	179.5	0	0	0	0	109.9	K114 G304 A335 D342	K114-S340 PolarHBondContact NZ-O 2.86Å; K114-S340 VanDerWaalsContact NZ-O 3.14Å; G304-S340 WeakPolarHBondContact O-CB 3.28Å; G304-S340 PolarHBondContact O-OG 3.26Å; A335-S340 WeakPolarHBondContact O-CB 2.95Å; A335-S340 PolarHBondContact O-N 3.23Å; S340-D342 PolarHBondContact OG-N 2.78Å
341	A	96.1	Very high	98	Very high	62 Å²	62	27.3 Å²	27.3	51%	0.512	15%	0.152	S	C	.	.			trans	-105.6	6.8	-178.2	0	0	0	0	0	111.7	R115 G339	R115-A341 WeakPolarHBondContact CD-O 3.42Å; R115-A341 PolarHBondContact NE-O 3.32Å; G339-A341 PolarHBondContact O-N 3.21Å
342	D	98	Very high	97.7	Very high	19 Å²	19	30.8 Å²	30.8	10%	0.102	17%	0.168	C	C	.	.	S	Bend	trans	-105.9	175.3	-170.2	-135.2	-36.4	0	0	0	113.8	R115 S340	R115-D342 VanDerWaalsContact CZ-CG 3.48Å; R115-D342 IonicContact CZ-OD1 3.89Å; R115-D342 IonicContact CZ-OD2 2.74Å; R115-D342 IonicContact NE-OD1 2.88Å; R115-D342 PolarHBondContact NE-OD1 3.33Å; R115-D342 IonicContact NE-OD2 2.66Å; R115-D342 IonicContact NH1-OD1 3.32Å; R115-D342 PolarHBondContact NH1-OD1 3.05Å; R115-D342 IonicContact NH2-OD1 3.46Å; R115-D342 PolarHBondContact NH2-OD1 2.79Å; R115-D342 IonicContact NH2-OD2 3.51Å; R115-D342 PolarHBondContact NH2-OD2 3.18Å; S340-D342 PolarHBondContact OG-N 2.78Å
343	N	98.5	Very high	97.3	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.184	C	C	.	.			trans	-64.9	146.4	153.7	-64.8	154.7	0	0	0	108.9	R112 R115 T117 M118 E119 D120 G304	R112-N343 WeakPolarHBondContact CA-ND2 3.2Å; R112-N343 PolarHBondContact O-ND2 2.83Å; R115-N343 WeakPolarHBondContact CB-ND2 3.44Å; T117-N343 PolarHBondContact O-ND2 2.74Å; T117-N343 PolarHBondContact O-OD1 2.86Å; M118-N343 WeakPolarHBondContact CA-OD1 3.46Å; M118-N343 HydrophobicContact CE-CB 3.98Å; M118-N343 HydrophobicContact SD-CB 4.14Å; E119-N343 PolarHBondContact N-OD1 2.9Å; D120-N343 WeakPolarHBondContact OD1-CB 3.5Å; G304-N343 WeakPolarHBondContact CA-O 3.43Å
344	I	98.6	Very high	96.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	113.3	-175.1	-44.4	175.2	0	0	0	107.8	S110 F111 L305 T332 A335	S110-I344 CarbonylContact C-O 3.58Å; S110-I344 WeakPolarHBondContact CA-O 3.34Å; F111-I344 PolarHBondContact N-O 3.18Å; F111-I344 PolarHBondContact O-N 3.43Å; L305-I344 HydrophobicContact CB-CG2 4.17Å; T332-I344 HydrophobicContact CG2-CB 4.46Å; T332-I344 HydrophobicContact CG2-CG2 3.87Å; A335-I344 HydrophobicContact CB-CD1 3.96Å; A335-I344 HydrophobicContact CB-CG2 4.26Å
345	T	98.8	Very high	94.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130	177	-60.5	0	0	0	0	109.4	S109 S110 D120 Y122 V139 A301 S302	S109-T345 WeakPolarHBondContact O-CA 3.32Å; S110-T345 PolarHBondContact OG-OG1 3.36Å; D120-T345 WeakPolarHBondContact CB-OG1 3.45Å; D120-T345 VanDerWaalsContact OD2-CB 3.31Å; D120-T345 WeakPolarHBondContact OD2-CB 3.43Å; D120-T345 PolarHBondContact OD2-N 3.03Å; D120-T345 PolarHBondContact OD2-OG1 3.38Å; Y122-T345 HydrophobicContact CD1-CG2 3.81Å; Y122-T345 HydrophobicContact CG-CG2 4.22Å; V139-T345 HydrophobicContact CG1-CG2 4.06Å; V139-T345 HydrophobicContact CG2-CG2 4.3Å; A301-T345 CarbonylContact C-O 3.53Å; A301-T345 WeakPolarHBondContact CA-O 3.48Å; A301-T345 WeakPolarHBondContact CB-O 3.4Å; S302-T345 PolarHBondContact N-O 2.91Å; S302-T345 PolarHBondContact OG-N 3.47Å
346	C	98.7	Very high	92.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	135.2	-177.5	-179.4	0	0	0	0	110.1	Y108 S109 L300 A301 T332	Y108-C346 CarbonylContact C-O 3.56Å; Y108-C346 WeakPolarHBondContact CA-O 3.32Å; S109-C346 PolarHBondContact N-O 3.44Å; S109-C346 PolarHBondContact O-N 3.18Å; L300-C346 CarbonylContact O-C 3.55Å; L300-C346 WeakPolarHBondContact O-CA 3.21Å; A301-C346 HydrophobicContact CB-CB 4.11Å; T332-C346 HydrophobicContact CG2-CB 3.95Å
347	I	98.8	Very high	89.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.2	168.7	-57.1	175.9	0	0	0	107.5	C106 G107 V124 F137 G138 V139 V299 L300 V349	C106-I347 VanDerWaalsContact SG-CG2 3.6Å; G107-I347 CarbonylContact O-C 3.55Å; G107-I347 WeakPolarHBondContact O-CA 3.44Å; V124-I347 HydrophobicContact CG2-CD1 4.07Å; F137-I347 HydrophobicContact CB-CD1 4.29Å; F137-I347 HydrophobicContact CB-CG2 4.44Å; F137-I347 HydrophobicContact CD1-CG2 4.18Å; G138-I347 WeakPolarHBondContact O-CD1 3.4Å; V139-I347 HydrophobicContact CG2-CD1 3.78Å; V139-I347 HydrophobicContact CG2-CG1 3.89Å; V299-I347 CarbonylContact C-O 3.54Å; V299-I347 WeakPolarHBondContact CA-O 3.47Å; L300-I347 HydrophobicContact CB-CB 4.41Å; L300-I347 HydrophobicContact CD1-CB 4.45Å; L300-I347 PolarHBondContact N-O 2.88Å; L300-I347 PolarHBondContact O-N 3.5Å; I347-V349 HydrophobicContact CG2-CG2 4.06Å
348	V	98.7	Very high	89.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.1	171.4	-179.4	0	0	0	0	108.2	C106 G107 L298 V299 P324 A327 A328 L331 Q350	C106-V348 CarbonylContact C-O 3.58Å; C106-V348 VanDerWaalsContact CA-O 3.32Å; C106-V348 WeakPolarHBondContact CA-O 3.41Å; G107-V348 PolarHBondContact N-O 3.13Å; G107-V348 PolarHBondContact O-N 3Å; L298-V348 CarbonylContact O-C 3.55Å; L298-V348 WeakPolarHBondContact O-CA 3.37Å; V299-V348 HydrophobicContact CG2-CG2 4.34Å; P324-V348 HydrophobicContact CB-CB 4.19Å; P324-V348 HydrophobicContact CB-CG1 4.07Å; P324-V348 WeakPolarHBondContact CB-O 3.32Å; A327-V348 HydrophobicContact CB-CB 4.27Å; A327-V348 HydrophobicContact CB-CG1 4.03Å; A327-V348 HydrophobicContact CB-CG2 3.95Å; A328-V348 HydrophobicContact CB-CG2 4.04Å; L331-V348 HydrophobicContact CD1-CG2 3.86Å; V348-Q350 HydrophobicContact CG1-CG 4.49Å
349	V	98.2	Very high	88.7	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.9	174.3	-176.4	0	0	0	0	107.7	L104 S105 C106 F137 C297 L298 I347 F351	L104-V349 HydrophobicContact CD1-CG1 3.41Å; L104-V349 VanDerWaalsContact CD1-CG1 3.41Å; L104-V349 HydrophobicContact CG-CG1 3.98Å; S105-V349 CarbonylContact O-C 3.53Å; S105-V349 WeakPolarHBondContact O-CA 3.49Å; C106-V349 HydrophobicContact CB-CG2 4.49Å; F137-V349 HydrophobicContact CD1-CG2 3.74Å; F137-V349 HydrophobicContact CD2-CG2 4.02Å; F137-V349 HydrophobicContact CE1-CG2 3.67Å; F137-V349 HydrophobicContact CE2-CG1 4.25Å; F137-V349 HydrophobicContact CE2-CG2 3.96Å; F137-V349 HydrophobicContact CG-CG2 3.91Å; F137-V349 HydrophobicContact CZ-CG1 4Å; F137-V349 HydrophobicContact CZ-CG2 3.79Å; C297-V349 CarbonylContact C-O 3.57Å; C297-V349 WeakPolarHBondContact CA-O 3.37Å; C297-V349 WeakPolarHBondContact CB-O 3.36Å; L298-V349 HydrophobicContact CB-CB 4.3Å; L298-V349 PolarHBondContact N-O 2.93Å; L298-V349 PolarHBondContact O-N 3.45Å; I347-V349 HydrophobicContact CG2-CG2 4.06Å; V349-F351 HydrophobicContact CG1-CE1 4.49Å; V349-F351 HydrophobicContact CG1-CZ 4.45Å
350	Q	97.2	Very high	88.2	Confident	22 Å²	22	49.3 Å²	49.3	10%	0.103	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133.7	175.4	-70.7	174.4	-15.1	0	0	109.5	L104 S105 E296 C297 G318 P324 V348	L104-Q350 WeakPolarHBondContact CA-O 3.2Å; S105-Q350 PolarHBondContact N-O 3.5Å; S105-Q350 PolarHBondContact O-N 2.72Å; S105-Q350 PolarHBondContact OG-OE1 3.41Å; E296-Q350 WeakPolarHBondContact O-CA 3.43Å; C297-Q350 HydrophobicContact CB-CG 4.17Å; G318-Q350 PolarHBondContact O-NE2 3.33Å; P324-Q350 HydrophobicContact CB-CG 4.29Å; V348-Q350 HydrophobicContact CG1-CG 4.49Å
351	F	95.6	Very high	87.6	Confident	14 Å²	14	51.9 Å²	51.9	6%	0.061	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	123.9	176.9	-55.9	-80.8	0	0	0	109	L104 L205 L210 I222 V291 L295 E296 L298 V349	L104-F351 HydrophobicContact CD1-CD1 3.6Å; L104-F351 HydrophobicContact CD1-CE1 3.77Å; L104-F351 HydrophobicContact CD1-CG 4.48Å; L205-F351 HydrophobicContact CD2-CE1 4.4Å; L210-F351 HydrophobicContact CD2-CZ 4.34Å; I222-F351 HydrophobicContact CD1-CE2 4.05Å; I222-F351 HydrophobicContact CG1-CE2 4.46Å; V291-F351 HydrophobicContact CG1-CD1 3.86Å; V291-F351 HydrophobicContact CG1-CE1 4.36Å; V291-F351 HydrophobicContact CG1-CG 4.3Å; V291-F351 HydrophobicContact CG2-CD1 4.25Å; V291-F351 HydrophobicContact CG2-CE1 3.91Å; L295-F351 HydrophobicContact CB-CD2 4.32Å; L295-F351 WeakPolarHBondContact O-CB 3.44Å; E296-F351 PolarHBondContact O-N 2.99Å; L298-F351 HydrophobicContact CB-CE2 3.95Å; L298-F351 HydrophobicContact CB-CZ 4.25Å; V349-F351 HydrophobicContact CG1-CE1 4.49Å; V349-F351 HydrophobicContact CG1-CZ 4.45Å
352	H	93.7	Very high	87.1	Confident	74 Å²	74	51.3 Å²	51.3	34%	0.343	30%	0.304	S	S	.	.			trans	-104.9	118.4	178.8	-58.4	-64.3	0	0	0	109.1	G102 K103 S105	G102-H352 WeakPolarHBondContact O-CB 3.35Å; G102-H352 PolarHBondContact O-CD2 3.15Å; K103-H352 PolarHBondContact O-N 3.3Å; S105-H352 PolarHBondContact OG-NE2 3.49Å
353	H	90.1	Very high	86.3	Confident	72 Å²	72	53.4 Å²	53.4	33%	0.333	32%	0.317	S	S	.	.			trans	-102	137.8	179	-56.6	-76.3	0	0	0	109.1	S292 L295 K355	S292-H353 VanDerWaalsContact C-CE1 3.45Å; S292-H353 PolarHBondContact O-CE1 3.22Å; S292-H353 PolarHBondContact O-NE2 3.41Å; L295-H353 PolarHBondContact O-NE2 3.44Å; H353-K355 PolarHBondContact O-N 3.26Å
354	D	80.7	Confident	85.5	Confident	124 Å²	124	57.1 Å²	57.1	66%	0.663	34%	0.34	S	S	*	.			trans	-54.3	131.3	167.9	-68.5	-37.1	0	0	0	107.9	T356	D354-T356 PolarHBondContact O-N 3.39Å
355	K	61	Low	84.5	Confident	213 Å²	213	61.5 Å²	61.5	93%	0.926	37%	0.366	S	S	*	.			trans	-65.8	84	173.2	-66.8	-178.2	-177.1	176.6	0	108.1	H353 G357	H353-K355 PolarHBondContact O-N 3.26Å; K355-G357 PolarHBondContact O-N 3Å
356	T	51.6	Low	83.3	Confident	136 Å²	136	66.7 Å²	66.7	83%	0.834	40%	0.396	S	S	*	.			trans	-71.6	89.9	163.1	52.4	0	0	0	0	106.3	D354	D354-T356 PolarHBondContact O-N 3.39Å
357	G	35	Very low	81.9	Confident	144 Å²	144	72.7 Å²	72.7	100%	1.485	43%	0.432	S	S	*	.			trans	-73.1	0	168.9	0	0	0	0	0	112.7	K355	K355-G357 PolarHBondContact O-N 3Å

Retrieved 357 of 357 residues in 746.6 ms (Link to these results)

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