A0A087XU61_POEFO Loading...

type I protein arginine methyltransferase

AlphaFold DB , UniProt , Accession A0A087XU61, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 412 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.6	Very low	38.6	Very low	245 Å²	245	139.5 Å²	139.5	100%	1.207	72%	0.716	S	S	*	*				0	125.6	0	-87.7	169.8	167.3	0	0	107.7
2	G	30.5	Very low	39	Very low	76 Å²	76	132.8 Å²	132.8	78%	0.784	68%	0.682	S	S	*	*			trans	-71.9	136.8	-161.5	0	0	0	0	0	115.5	R4	G2-R4 PolarHBondContact O-N 3.2Å
3	I	33.2	Very low	39.3	Very low	165 Å²	165	132.9 Å²	132.9	85%	0.846	67%	0.668	S	S	*	*			trans	-75.7	109.1	-179.6	-63.3	166.6	0	0	0	109.5	H5	I3-H5 HydrophobicContact CG2-CB 4.4Å
4	R	33.3	Very low	39.7	Very low	234 Å²	234	136.7 Å²	136.7	88%	0.883	67%	0.671	S	S	*	*			trans	-100.5	62.1	174.5	-70.5	-173.7	-179.9	-170.2	0.8	111.5	G2	G2-R4 PolarHBondContact O-N 3.2Å
5	H	41.1	Very low	40	Very low	167 Å²	167	137.4 Å²	137.4	77%	0.773	67%	0.669	S	S	*	*			trans	-114.2	-16.6	175.2	-88	36.2	0	0	0	114.6	I3	I3-H5 HydrophobicContact CG2-CB 4.4Å
6	S	43.8	Very low	40.5	Very low	85 Å²	85	131.2 Å²	131.2	59%	0.594	64%	0.638	S	S	*	*	H	α-helix	trans	-77.6	-32.8	-177.4	-176	0	0	0	0	114.4	R8	S6-R8 PolarHBondContact O-N 3.06Å
7	S	40.4	Very low	40.7	Very low	85 Å²	85	127.5 Å²	127.5	59%	0.594	63%	0.634	S	S	*	*	H	α-helix	trans	-76.1	-21.6	-171.1	-50.8	0	0	0	0	115	L11	S7-L11 PolarHBondContact O-N 2.7Å
8	R	42.8	Very low	40.7	Very low	204 Å²	204	128 Å²	128	77%	0.77	63%	0.634	S	S	*	*	H	α-helix	trans	-75.6	-35.2	-175.3	-153.4	175.5	-173.5	-175.8	-0.4	112.2	S6 L11 L12	S6-R8 PolarHBondContact O-N 3.06Å; R8-L11 PolarHBondContact O-N 3.23Å; R8-L12 HydrophobicContact CG-CD1 4.45Å; R8-L12 WeakPolarHBondContact O-CD1 3.41Å; R8-L12 WeakPolarHBondContact O-CG 3.34Å; R8-L12 PolarHBondContact O-N 3.16Å; R8-L12 VanDerWaalsContact O-N 3.14Å
9	C	44.8	Very low	40.6	Very low	19 Å²	19	125.5 Å²	125.5	13%	0.128	63%	0.631	C	S	.	*	H	α-helix	trans	-70.9	-39	177.7	-169.7	0	0	0	0	112.1	L12 R13	C9-L12 PolarHBondContact O-N 3.06Å; C9-R13 PolarHBondContact O-N 3.2Å
10	M	39	Very low	40.5	Very low	135 Å²	135	127.2 Å²	127.2	67%	0.665	64%	0.636	S	S	*	*	H	α-helix	trans	-66	-38.1	173.7	-74.8	-85.7	-87.7	0	0	112.7	R14	M10-R14 PolarHBondContact O-N 2.96Å
11	L	40.8	Very low	40.1	Very low	120 Å²	120	126.3 Å²	126.3	63%	0.628	64%	0.642	S	S	*	*	H	α-helix	trans	-67.4	-36.4	176.3	-116.1	90.9	0	0	0	112.5	S7 R8 R14 K15	S7-L11 PolarHBondContact O-N 2.7Å; R8-L11 PolarHBondContact O-N 3.23Å; L11-R14 PolarHBondContact O-N 3.44Å; L11-K15 PolarHBondContact O-N 2.98Å
12	L	43.8	Very low	39.9	Very low	59 Å²	59	118.2 Å²	118.2	31%	0.309	62%	0.622	S	S	.	*	H	α-helix	trans	-74.5	-37.1	178.9	-77.6	160	0	0	0	112.2	R8 C9 R14 K15 M16	R8-L12 HydrophobicContact CG-CD1 4.45Å; R8-L12 WeakPolarHBondContact O-CD1 3.41Å; R8-L12 WeakPolarHBondContact O-CG 3.34Å; R8-L12 PolarHBondContact O-N 3.16Å; R8-L12 VanDerWaalsContact O-N 3.14Å; C9-L12 PolarHBondContact O-N 3.06Å; L12-R14 VanDerWaalsContact C-N 3.3Å; L12-R14 PolarHBondContact O-N 3.48Å; L12-K15 PolarHBondContact O-N 3.44Å; L12-M16 PolarHBondContact O-N 3Å
13	R	43.6	Very low	40	Very low	134 Å²	134	123.7 Å²	123.7	51%	0.506	63%	0.627	S	S	.	*	H	α-helix	trans	-59.9	-37.4	170.3	-83.8	-172.7	172.1	-179	-1.3	112.8	C9 M16 A17 Y321	C9-R13 PolarHBondContact O-N 3.2Å; R13-M16 PolarHBondContact O-N 3.43Å; R13-A17 PolarHBondContact O-N 2.85Å; R13-A17 VanDerWaalsContact O-N 3.12Å; R13-Y321 HydrophobicContact CG-CE2 4.48Å
14	R	44.2	Very low	39.7	Very low	186 Å²	186	124.8 Å²	124.8	70%	0.702	63%	0.629	S	S	*	*	H	α-helix	trans	-63.5	-44	172.7	-94.4	-176.3	174.2	176.4	-2.6	112.4	M10 L11 L12 M16 A17 E18	M10-R14 PolarHBondContact O-N 2.96Å; L11-R14 PolarHBondContact O-N 3.44Å; L12-R14 VanDerWaalsContact C-N 3.3Å; L12-R14 PolarHBondContact O-N 3.48Å; R14-M16 VanDerWaalsContact C-N 3.28Å; R14-M16 PolarHBondContact O-N 2.82Å; R14-A17 PolarHBondContact O-N 3.41Å; R14-E18 WeakPolarHBondContact O-CG 3.48Å; R14-E18 PolarHBondContact O-N 3.09Å; R14-E18 VanDerWaalsContact O-N 3.1Å
15	K	45	Very low	39.8	Very low	147 Å²	147	119.7 Å²	119.7	64%	0.639	63%	0.626	S	S	*	*	H	α-helix	trans	-63.4	-31.1	175.8	-78.1	-171.7	171.2	-170.8	0	113.5	L11 L12	L11-K15 PolarHBondContact O-N 2.98Å; L12-K15 PolarHBondContact O-N 3.44Å
16	M	48	Very low	39.3	Very low	38 Å²	38	121 Å²	121	19%	0.187	63%	0.633	C	S	.	*	H	α-helix	trans	-74.5	-30.9	175	-72.3	-177	164	0	0	113	L12 R13 R14 S19 T365 L400	L12-M16 PolarHBondContact O-N 3Å; R13-M16 PolarHBondContact O-N 3.43Å; R14-M16 VanDerWaalsContact C-N 3.28Å; R14-M16 PolarHBondContact O-N 2.82Å; M16-S19 PolarHBondContact O-OG 2.9Å; M16-T365 HydrophobicContact CE-CG2 3.73Å; M16-L400 HydrophobicContact CE-CD1 3.44Å; M16-L400 VanDerWaalsContact CE-CD1 3.44Å
17	A	43.7	Very low	38.7	Very low	68 Å²	68	122.6 Å²	122.6	56%	0.562	64%	0.643	S	S	*	*	H	α-helix	trans	-78.8	-27.6	177.9	0	0	0	0	0	113.2	R13 R14 S19	R13-A17 PolarHBondContact O-N 2.85Å; R13-A17 VanDerWaalsContact O-N 3.12Å; R14-A17 PolarHBondContact O-N 3.41Å; A17-S19 VanDerWaalsContact C-N 3.25Å; A17-S19 PolarHBondContact O-N 3.22Å
18	E	40	Very low	38.4	Very low	137 Å²	137	127.8 Å²	127.8	64%	0.64	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-15.6	-178.4	-76.7	167.6	-173.6	0	0	113.8	R14	R14-E18 WeakPolarHBondContact O-CG 3.48Å; R14-E18 PolarHBondContact O-N 3.09Å; R14-E18 VanDerWaalsContact O-N 3.1Å
19	S	38.2	Very low	38	Very low	81 Å²	81	124.1 Å²	124.1	57%	0.566	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-1	178.8	55.4	0	0	0	0	115.9	M16 A17	M16-S19 PolarHBondContact O-OG 2.9Å; A17-S19 VanDerWaalsContact C-N 3.25Å; A17-S19 PolarHBondContact O-N 3.22Å
20	E	39.2	Very low	37.4	Very low	158 Å²	158	134.4 Å²	134.4	74%	0.738	70%	0.697	S	S	*	*			trans	-118.7	11.6	-172.4	-75.4	-169.5	161.7	0	0	115.9	G22	E20-G22 PolarHBondContact O-N 2.86Å
21	S	33.3	Very low	37	Very low	109 Å²	109	134.2 Å²	134.2	76%	0.762	71%	0.706	S	S	*	*			trans	-97.4	90.8	-179	59.8	0	0	0	0	114
22	G	29.3	Very low	36.7	Very low	76 Å²	76	134.8 Å²	134.8	78%	0.784	71%	0.714	S	S	*	*			trans	-103.9	119.3	157.9	0	0	0	0	0	110	E20	E20-G22 PolarHBondContact O-N 2.86Å
23	E	33.1	Very low	36	Very low	190 Å²	190	143.7 Å²	143.7	89%	0.888	74%	0.743	S	S	*	*			trans	-71.5	138.5	-171.5	-65.4	175.9	136	0	0	114.8
24	Q	27.6	Very low	35.4	Very low	189 Å²	189	145 Å²	145	88%	0.883	76%	0.759	S	S	*	*			trans	-151.1	151.6	141.1	-82.6	-158.9	-16.1	0	0	111
25	P	33.8	Very low	35	Very low	127 Å²	127	143.3 Å²	143.3	83%	0.825	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-92	143	-155.2	15.2	0.5	0	0	0	115.4
26	Q	31.6	Very low	34.4	Very low	195 Å²	195	141.9 Å²	141.9	91%	0.911	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-76.4	141.7	178	-72.8	177.2	-15.8	0	0	113.3
27	S	31.5	Very low	33.6	Very low	117 Å²	117	145.7 Å²	145.7	82%	0.818	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-94.8	132.8	163.4	51.3	0	0	0	0	110.3
28	Q	33.3	Very low	33.1	Very low	195 Å²	195	151.8 Å²	151.8	91%	0.911	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-77.9	140.9	-177.5	-68.6	179.8	-11	0	0	112.7
29	P	33.6	Very low	32.7	Very low	126 Å²	126	150.6 Å²	150.6	82%	0.818	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-103.6	150.3	157.3	25.8	-10.8	0	0	0	113
30	R	32.9	Very low	32.6	Very low	236 Å²	236	151.5 Å²	151.5	89%	0.891	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-64.9	156.9	-174.8	-71.8	176.8	178.1	-179.5	-1	114.2
31	P	31.8	Very low	32.5	Very low	131 Å²	131	152.4 Å²	152.4	85%	0.851	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-79	134.4	-174.4	31.6	-33.8	0	0	0	112.9
32	V	32.4	Very low	32.6	Very low	132 Å²	132	153.4 Å²	153.4	80%	0.8	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-90.9	129.1	168.8	177.7	0	0	0	0	108.9	I34	V32-I34 PolarHBondContact O-N 3.21Å
33	R	29.2	Very low	32.9	Very low	245 Å²	245	156.3 Å²	156.3	93%	0.925	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-65.2	123.8	174.6	-91	178.6	169.1	-179.2	-3.4	110.6
34	I	32.3	Very low	33.2	Very low	162 Å²	162	152.8 Å²	152.8	83%	0.831	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-94.5	125.6	169.8	-60.5	173.6	0	0	0	108.4	V32	V32-I34 PolarHBondContact O-N 3.21Å
35	I	34.8	Very low	33.8	Very low	151 Å²	151	151.6 Å²	151.6	77%	0.774	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-85.2	129.6	170.4	-59.9	171.2	0	0	0	107.2	S37	I35-S37 PolarHBondContact O-N 3.18Å
36	P	32	Very low	34.1	Very low	116 Å²	116	151.3 Å²	151.3	75%	0.753	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-76.8	120.5	-177.8	27.5	-27.6	0	0	0	110.7
37	S	31.2	Very low	34.7	Very low	119 Å²	119	151.2 Å²	151.2	83%	0.832	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-75	132.1	165	50.8	0	0	0	0	109.6	I35	I35-S37 PolarHBondContact O-N 3.18Å
38	Q	33.6	Very low	35	Very low	195 Å²	195	151.8 Å²	151.8	91%	0.911	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-67.6	132.8	-179.7	-68.7	176.5	-6.5	0	0	110.6	A40	Q38-A40 PolarHBondContact O-N 3.4Å
39	S	31.5	Very low	35.4	Very low	112 Å²	112	149 Å²	149	78%	0.783	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-66.4	119.9	174.7	54.2	0	0	0	0	111.3
40	A	36.4	Very low	35.6	Very low	100 Å²	100	148.4 Å²	148.4	83%	0.826	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-77	122.4	163.2	0	0	0	0	0	109.2	Q38	Q38-A40 PolarHBondContact O-N 3.4Å
41	Q	36.6	Very low	35.7	Very low	177 Å²	177	143 Å²	143	83%	0.827	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-68.7	145.9	172.7	-73	178.6	-31.2	0	0	110.8	T43	Q41-T43 PolarHBondContact O-N 3.45Å
42	P	36.1	Very low	35.9	Very low	130 Å²	130	143.3 Å²	143.3	84%	0.844	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-74.2	126.7	174.1	21.3	-18.2	0	0	0	111.1
43	T	35.6	Very low	36.1	Very low	138 Å²	138	145.6 Å²	145.6	85%	0.847	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-66.2	137.3	171.2	42	0	0	0	0	111.5	Q41	Q41-T43 PolarHBondContact O-N 3.45Å
44	S	39.8	Very low	36.5	Very low	116 Å²	116	140 Å²	140	81%	0.811	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-59.2	142.2	-179	53	0	0	0	0	114.5
45	L	40.7	Very low	36.6	Very low	163 Å²	163	136.8 Å²	136.8	85%	0.853	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-61.5	143.3	171.2	-71.6	161.1	0	0	0	112.3
46	P	39.1	Very low	36.7	Very low	122 Å²	122	135.4 Å²	135.4	79%	0.792	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-74.2	145.2	175	17.1	-10.8	0	0	0	112.5
47	K	45.2	Very low	36.9	Very low	193 Å²	193	141.2 Å²	141.2	84%	0.839	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-70.7	154.4	179.8	-71.7	-179.4	179.1	178.4	0	112.5
48	P	37.3	Very low	37.1	Very low	129 Å²	129	141.6 Å²	141.6	84%	0.838	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-72.6	144.1	-178.8	22.8	-22	0	0	0	112.8
49	V	42.4	Very low	37.1	Very low	136 Å²	136	137.3 Å²	137.3	82%	0.824	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-74.7	138.3	177.9	-178.3	0	0	0	0	110
50	P	35.7	Very low	37.4	Very low	114 Å²	114	140 Å²	140	74%	0.74	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-73.1	143.9	-179.8	27.1	-30.5	0	0	0	112.6
51	S	36.1	Very low	37.4	Very low	121 Å²	121	140 Å²	140	85%	0.846	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-68.8	127.6	-179.8	43.5	0	0	0	0	112.4
52	V	36	Very low	37.3	Very low	138 Å²	138	137.3 Å²	137.3	84%	0.836	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-90.7	124.1	172.9	-179.4	0	0	0	0	108.8
53	Q	37	Very low	37.2	Very low	180 Å²	180	139.7 Å²	139.7	84%	0.841	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-69.1	140.6	173.6	-70.3	179.7	-16.9	0	0	111
54	P	37.2	Very low	37.1	Very low	127 Å²	127	138.7 Å²	138.7	83%	0.825	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-79.5	131.3	176.1	30	-30.7	0	0	0	111.7
55	A	35.4	Very low	36.7	Very low	96 Å²	96	139.1 Å²	139.1	79%	0.793	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-69.3	142.4	171.2	0	0	0	0	0	111.8
56	S	35.2	Very low	36.2	Very low	121 Å²	121	139.9 Å²	139.9	85%	0.846	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-56.9	131.3	179.5	50.7	0	0	0	0	114.1
57	R	37.2	Very low	36.1	Very low	238 Å²	238	139 Å²	139	90%	0.898	82%	0.819	S	S	*	*			trans	-107.7	148.9	164.2	-84	-174	175.8	-170.2	-0.4	111.1
58	P	34.8	Very low	35.4	Very low	128 Å²	128	134.4 Å²	134.4	83%	0.831	82%	0.816	S	S	*	*			trans	-80.9	154.2	-176	25.4	-18.4	0	0	0	113.2
59	A	34.4	Very low	34.9	Very low	105 Å²	105	131.9 Å²	131.9	87%	0.868	81%	0.813	S	S	*	*			trans	-71.7	147.9	-173.1	0	0	0	0	0	114.4
60	L	36.4	Very low	34.3	Very low	168 Å²	168	133.7 Å²	133.7	88%	0.88	82%	0.817	S	S	*	*			trans	-119.9	149.2	167.7	-84.5	161.7	0	0	0	110.2
61	P	37.1	Very low	34.1	Very low	100 Å²	100	134.1 Å²	134.1	65%	0.649	82%	0.82	S	S	*	*			trans	-81.4	166.8	-164.2	33.1	-35.5	0	0	0	114.4
62	P	35.4	Very low	33.9	Very low	120 Å²	120	133.5 Å²	133.5	78%	0.779	82%	0.816	S	S	*	*			trans	-86.8	137.6	-165.2	34.3	-31.5	0	0	0	112.2
63	H	34.2	Very low	33.6	Very low	181 Å²	181	132.9 Å²	132.9	84%	0.838	82%	0.816	S	S	*	*			trans	-126.7	134.8	165.5	-78	-65.2	0	0	0	111.5
64	T	32.2	Very low	33.5	Very low	116 Å²	116	130.4 Å²	130.4	71%	0.712	82%	0.816	S	S	*	*			trans	-63.6	159.8	-172.6	34	0	0	0	0	115.4
65	P	31	Very low	33.2	Very low	125 Å²	125	127.7 Å²	127.7	81%	0.812	81%	0.811	S	S	*	*			trans	-81.7	121.3	-175.6	32.5	-30.8	0	0	0	111.3
66	H	29.9	Very low	33.2	Very low	180 Å²	180	135.3 Å²	135.3	83%	0.833	82%	0.819	S	S	*	*			trans	-102	110.5	162.6	-92.9	-66.6	0	0	0	109.6
67	A	37	Very low	33.4	Very low	104 Å²	104	133.3 Å²	133.3	86%	0.86	82%	0.818	S	S	*	*			trans	-67	123.8	159.8	0	0	0	0	0	108.9
68	A	31.2	Very low	33	Very low	96 Å²	96	131.9 Å²	131.9	79%	0.793	82%	0.818	S	S	*	*			trans	-148.1	115.8	168.4	0	0	0	0	0	110.7
69	G	27.6	Very low	33.2	Very low	75 Å²	75	133.9 Å²	133.9	77%	0.773	82%	0.818	S	S	*	*			trans	21.9	116.1	156.9	0	0	0	0	0	120.7
70	L	29.9	Very low	33.7	Very low	174 Å²	174	132.9 Å²	132.9	91%	0.911	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-53.7	128.4	151.1	-75.1	152.7	0	0	0	110	S72	L70-S72 PolarHBondContact O-N 3.15Å
71	P	31.8	Very low	34.4	Very low	123 Å²	123	133.7 Å²	133.7	80%	0.799	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-75.8	124	161.6	7	7.2	0	0	0	109
72	S	30.4	Very low	35.3	Very low	108 Å²	108	134.5 Å²	134.5	76%	0.755	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-55.7	140.6	172.1	43.4	0	0	0	0	112.3	L70 P74	L70-S72 PolarHBondContact O-N 3.15Å; S72-P74 WeakPolarHBondContact O-CD 3.22Å
73	C	31.4	Very low	36.6	Very low	125 Å²	125	131.5 Å²	131.5	85%	0.845	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-58.6	124.3	167.9	-64.6	0	0	0	0	110.6	G75	C73-G75 PolarHBondContact O-N 2.93Å
74	P	34.7	Very low	38.2	Very low	129 Å²	129	125.7 Å²	125.7	84%	0.838	75%	0.752	S	S	*	*			trans	-89.1	104.1	164.2	23.3	-10	0	0	0	109	S72	S72-P74 WeakPolarHBondContact O-CD 3.22Å
75	G	31.1	Very low	40	Very low	70 Å²	70	120.4 Å²	120.4	72%	0.722	72%	0.72	S	S	*	*			trans	-70.2	151.3	158.9	0	0	0	0	0	111.4	C73	C73-G75 PolarHBondContact O-N 2.93Å
76	R	34.8	Very low	42	Very low	256 Å²	256	120.2 Å²	120.2	97%	0.966	71%	0.712	S	S	*	*	S	Bend	trans	68.2	112	169.2	-75.3	-177.6	178.7	-175.6	-0.8	118.5
77	G	38.4	Very low	44.2	Very low	79 Å²	79	117.8 Å²	117.8	81%	0.814	70%	0.701	S	S	*	*				91.9	65.3	123.1	0	0	0	0	0	117.7
78	K	30.3	Very low	46.1	Very low	207 Å²	207	113.9 Å²	113.9	90%	0.9	67%	0.665	S	S	*	*			trans	-134.1	133.4	145.8	-76.9	-175.8	177.7	176.1	0	106.7	A80	K78-A80 PolarHBondContact O-N 3.1Å; K78-A80 VanDerWaalsContact O-N 3.1Å
79	M	38.1	Very low	48.3	Very low	170 Å²	170	112.7 Å²	112.7	84%	0.837	65%	0.648	S	S	*	*			trans	-45.8	122.6	174	-79.2	-174.7	-175.2	0	0	108.3	K81	M79-K81 PolarHBondContact O-N 3.38Å; M79-K81 VanDerWaalsContact O-N 3.17Å
80	A	45.8	Very low	50.2	Low	84 Å²	84	114.1 Å²	114.1	69%	0.694	65%	0.647	S	S	*	*			trans	-55	125	167.3	0	0	0	0	0	106.2	K78 F82	K78-A80 PolarHBondContact O-N 3.1Å; K78-A80 VanDerWaalsContact O-N 3.1Å; A80-F82 PolarHBondContact O-N 2.89Å; A80-F82 VanDerWaalsContact O-N 3.08Å
81	K	49.8	Very low	51.8	Low	186 Å²	186	114 Å²	114	81%	0.809	63%	0.634	S	S	*	*			trans	-54.5	122	166.8	-82.4	-178.4	173.1	-176.7	0	105.7	M79 L83	M79-K81 PolarHBondContact O-N 3.38Å; M79-K81 VanDerWaalsContact O-N 3.17Å; K81-L83 PolarHBondContact O-N 3.11Å
82	F	57.4	Low	53.6	Low	116 Å²	116	109.6 Å²	109.6	51%	0.509	60%	0.604	S	S	.	*			trans	-59.1	109.2	170.5	-66.7	-79	0	0	0	107	A80 C160	A80-F82 PolarHBondContact O-N 2.89Å; A80-F82 VanDerWaalsContact O-N 3.08Å; F82-C160 WeakPolarHBondContact CE1-O 3.3Å
83	L	61.1	Low	55.1	Low	58 Å²	58	107.5 Å²	107.5	30%	0.304	58%	0.579	S	S	.	*			trans	-74.9	146.5	-179.9	-67.8	168.7	0	0	0	108.9	K81 M88 D92	K81-L83 PolarHBondContact O-N 3.11Å; L83-M88 HydrophobicContact CB-CG 4Å; L83-D92 HydrophobicContact CD1-CB 4.01Å; L83-D92 VanDerWaalsContact CD1-CG 3.41Å
84	N	68.9	Low	55.9	Low	59 Å²	59	110.6 Å²	110.6	32%	0.316	58%	0.575	S	S	.	*			trans	-61.3	136.1	165.8	176	-24.1	0	0	0	107.6	D86 E87 M88	N84-D86 PolarHBondContact O-N 3.45Å; N84-D86 VanDerWaalsContact O-N 3.1Å; N84-D86 PolarHBondContact OD1-N 2.96Å; N84-E87 HydrophobicContact CB-CB 4.47Å; N84-E87 HydrophobicContact CB-CG 4.15Å; N84-E87 WeakPolarHBondContact O-CA 3.49Å; N84-E87 WeakPolarHBondContact O-CB 3.39Å; N84-E87 PolarHBondContact O-N 3.29Å; N84-M88 PolarHBondContact O-N 3.04Å
85	P	70.3	Confident	57.4	Low	4 Å²	4	112.3 Å²	112.3	3%	0.026	57%	0.57	C	S	.	*	G	3₁₀ helix	trans	-48.3	-35.6	175.8	-29	33.6	0	0	0	115.1	E87 M88 S162 E165 Y166	P85-E87 PolarHBondContact O-N 3.27Å; P85-M88 PolarHBondContact O-N 3.49Å; P85-S162 WeakPolarHBondContact CG-O 3.4Å; P85-E165 WeakPolarHBondContact CD-OE2 3.49Å; P85-Y166 HydrophobicContact CB-CD2 4.27Å; P85-Y166 HydrophobicContact CB-CE2 3.28Å; P85-Y166 WeakPolarHBondContact CB-OH 3.38Å; P85-Y166 HydrophobicContact CG-CD2 3.97Å; P85-Y166 HydrophobicContact CG-CE2 3.44Å; P85-Y166 VanDerWaalsContact CG-CE2 3.44Å
86	D	72.5	Confident	59.7	Low	121 Å²	121	110.6 Å²	110.6	65%	0.647	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-70.1	-16.4	179.4	-62.9	-25.7	0	0	0	112.7	N84 Y166	N84-D86 PolarHBondContact O-N 3.45Å; N84-D86 VanDerWaalsContact O-N 3.1Å; N84-D86 PolarHBondContact OD1-N 2.96Å; D86-Y166 PolarHBondContact OD1-OH 2.91Å
87	E	76.3	Confident	61.7	Low	129 Å²	129	100.7 Å²	100.7	60%	0.603	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-102.3	-3.3	179	-60.5	179.9	164.5	0	0	112.7	N84 P85	N84-E87 HydrophobicContact CB-CB 4.47Å; N84-E87 HydrophobicContact CB-CG 4.15Å; N84-E87 WeakPolarHBondContact O-CA 3.49Å; N84-E87 WeakPolarHBondContact O-CB 3.39Å; N84-E87 PolarHBondContact O-N 3.29Å; P85-E87 PolarHBondContact O-N 3.27Å
88	M	76.7	Confident	63.8	Low	23 Å²	23	99.8 Å²	99.8	11%	0.113	49%	0.486	C	S	.	.			trans	-73.7	131.7	-176.5	-70.6	-175.2	71.7	0	0	111.9	L83 N84 P85 D92 Y93 D96 A99 S162	L83-M88 HydrophobicContact CB-CG 4Å; N84-M88 PolarHBondContact O-N 3.04Å; P85-M88 PolarHBondContact O-N 3.49Å; M88-D92 HydrophobicContact CB-CB 4.28Å; M88-D92 HydrophobicContact CE-CB 3.87Å; M88-D92 HydrophobicContact CG-CB 4.35Å; M88-Y93 HydrophobicContact CB-CD2 4.48Å; M88-Y93 HydrophobicContact CB-CE1 4.43Å; M88-Y93 HydrophobicContact CB-CE2 3.99Å; M88-Y93 HydrophobicContact CE-CD1 3.94Å; M88-Y93 HydrophobicContact CE-CE1 4.12Å; M88-Y93 HydrophobicContact CE-CG 4.4Å; M88-Y93 HydrophobicContact SD-CE1 4.24Å; M88-D96 HydrophobicContact CE-CB 3.98Å; M88-A99 HydrophobicContact CE-CB 3.49Å; M88-A99 VanDerWaalsContact CE-CB 3.49Å; M88-A99 HydrophobicContact SD-CB 3.53Å; M88-A99 VanDerWaalsContact SD-CB 3.53Å; M88-S162 PolarHBondContact SD-OG 3.2Å
89	T	78.1	Confident	66.2	Low	70 Å²	70	90 Å²	90	43%	0.429	44%	0.444	S	S	.	.			trans	-94.2	170.2	171.5	70.5	0	0	0	0	110.8	R91 D92 Y93	T89-R91 PolarHBondContact O-N 3.36Å; T89-R91 VanDerWaalsContact O-N 3.13Å; T89-R91 PolarHBondContact OG1-N 2.6Å; T89-D92 WeakPolarHBondContact CB-OD2 3.33Å; T89-D92 PolarHBondContact N-OD2 3.01Å; T89-D92 PolarHBondContact O-N 3.41Å; T89-D92 PolarHBondContact OG1-OD2 2.9Å; T89-Y93 VanDerWaalsContact O-CD2 3.28Å; T89-Y93 WeakPolarHBondContact O-CD2 3.36Å; T89-Y93 PolarHBondContact O-N 3.47Å; T89-Y93 VanDerWaalsContact O-N 3.09Å
90	S	67.1	Low	68.4	Low	106 Å²	106	85.6 Å²	85.6	74%	0.741	42%	0.421	S	S	*	.	H	α-helix	trans	-56.3	-28.5	173.3	54.4	0	0	0	0	113.4	Y94	S90-Y94 PolarHBondContact O-N 3.06Å
91	R	62.8	Low	70.4	Confident	172 Å²	172	87.9 Å²	87.9	65%	0.649	42%	0.416	S	S	*	.	H	α-helix	trans	-68.7	-37.2	173.9	-173.9	-174.8	68	-177.1	-2.1	111.7	T89 Y94 F95	T89-R91 PolarHBondContact O-N 3.36Å; T89-R91 VanDerWaalsContact O-N 3.13Å; T89-R91 PolarHBondContact OG1-N 2.6Å; R91-Y94 VanDerWaalsContact O-CB 3.31Å; R91-Y94 WeakPolarHBondContact O-CB 3.24Å; R91-Y94 PolarHBondContact O-N 3.39Å; R91-F95 HydrophobicContact CG-CD2 4.49Å; R91-F95 HydrophobicContact CG-CE2 4.07Å; R91-F95 WeakPolarHBondContact O-CD2 3.31Å
92	D	69.9	Low	72.3	Confident	30 Å²	30	80.2 Å²	80.2	16%	0.16	39%	0.389	C	S	.	.	H	α-helix	trans	-74.5	-38.3	-178.2	-50.8	-56.9	0	0	0	110.2	L83 M88 T89 Y94 F95 D96	L83-D92 HydrophobicContact CD1-CB 4.01Å; L83-D92 VanDerWaalsContact CD1-CG 3.41Å; M88-D92 HydrophobicContact CB-CB 4.28Å; M88-D92 HydrophobicContact CE-CB 3.87Å; M88-D92 HydrophobicContact CG-CB 4.35Å; T89-D92 WeakPolarHBondContact CB-OD2 3.33Å; T89-D92 PolarHBondContact N-OD2 3.01Å; T89-D92 PolarHBondContact O-N 3.41Å; T89-D92 PolarHBondContact OG1-OD2 2.9Å; D92-Y94 PolarHBondContact O-N 3.36Å; D92-F95 CarbonylContact O-C 3.56Å; D92-F95 PolarHBondContact O-N 2.84Å; D92-D96 PolarHBondContact O-N 3.33Å
93	Y	60.9	Low	73.8	Confident	63 Å²	63	77.3 Å²	77.3	25%	0.247	38%	0.378	C	S	.	.	H	α-helix	trans	-60.2	-27.9	169	-72.1	-61.9	0	0	0	113.6	M88 T89 F95 D96 S97 A99 H100	M88-Y93 HydrophobicContact CB-CD2 4.48Å; M88-Y93 HydrophobicContact CB-CE1 4.43Å; M88-Y93 HydrophobicContact CB-CE2 3.99Å; M88-Y93 HydrophobicContact CE-CD1 3.94Å; M88-Y93 HydrophobicContact CE-CE1 4.12Å; M88-Y93 HydrophobicContact CE-CG 4.4Å; M88-Y93 HydrophobicContact SD-CE1 4.24Å; T89-Y93 VanDerWaalsContact O-CD2 3.28Å; T89-Y93 WeakPolarHBondContact O-CD2 3.36Å; T89-Y93 PolarHBondContact O-N 3.47Å; T89-Y93 VanDerWaalsContact O-N 3.09Å; Y93-F95 PolarHBondContact O-N 3.43Å; Y93-D96 CarbonylContact O-C 3.52Å; Y93-D96 VanDerWaalsContact O-C 3.23Å; Y93-D96 PolarHBondContact O-N 3.11Å; Y93-S97 WeakPolarHBondContact O-CA 3.35Å; Y93-S97 PolarHBondContact O-N 3.43Å; Y93-A99 HydrophobicContact CD1-CB 3.84Å; Y93-A99 HydrophobicContact CE1-CB 3.66Å; Y93-H100 HydrophobicContact CD1-CB 3.89Å; Y93-H100 HydrophobicContact CE1-CB 3.94Å
94	Y	48.2	Very low	75.4	Confident	190 Å²	190	75 Å²	75	75%	0.745	37%	0.366	S	S	*	.	H	α-helix	trans	-66	-28.9	174	-171.6	-92.2	0	0	0	112.4	S90 R91 D92	S90-Y94 PolarHBondContact O-N 3.06Å; R91-Y94 VanDerWaalsContact O-CB 3.31Å; R91-Y94 WeakPolarHBondContact O-CB 3.24Å; R91-Y94 PolarHBondContact O-N 3.39Å; D92-Y94 PolarHBondContact O-N 3.36Å
95	F	67.8	Low	76.7	Confident	166 Å²	166	76.2 Å²	76.2	73%	0.728	37%	0.37	S	S	*	.	H	α-helix	trans	-99	-15.5	177.9	-64.6	-70.7	0	0	0	113.5	R91 D92 Y93	R91-F95 HydrophobicContact CG-CD2 4.49Å; R91-F95 HydrophobicContact CG-CE2 4.07Å; R91-F95 WeakPolarHBondContact O-CD2 3.31Å; D92-F95 CarbonylContact O-C 3.56Å; D92-F95 PolarHBondContact O-N 2.84Å; Y93-F95 PolarHBondContact O-N 3.43Å
96	D	78.4	Confident	77.9	Confident	34 Å²	34	79.9 Å²	79.9	18%	0.182	39%	0.387	C	S	.	.			trans	-138.1	73.2	175.6	-176.5	3.8	0	0	0	109.4	M88 D92 Y93 Y98 A99 S161 S162	M88-D96 HydrophobicContact CE-CB 3.98Å; D92-D96 PolarHBondContact O-N 3.33Å; Y93-D96 CarbonylContact O-C 3.52Å; Y93-D96 VanDerWaalsContact O-C 3.23Å; Y93-D96 PolarHBondContact O-N 3.11Å; D96-Y98 VanDerWaalsContact C-N 3.27Å; D96-Y98 PolarHBondContact O-N 3.38Å; D96-A99 HydrophobicContact CB-CB 4.38Å; D96-A99 VanDerWaalsContact O-CB 3.3Å; D96-A99 WeakPolarHBondContact O-CB 3.44Å; D96-A99 PolarHBondContact O-N 2.92Å; D96-A99 VanDerWaalsContact O-N 3.15Å; D96-A99 PolarHBondContact OD1-N 3.08Å; D96-S161 WeakPolarHBondContact OD1-CB 3.43Å; D96-S161 PolarHBondContact OD1-OG 3.3Å; D96-S161 WeakPolarHBondContact OD2-CA 3.42Å; D96-S161 PolarHBondContact OD2-OG 3.3Å; D96-S162 PolarHBondContact OD2-N 2.91Å
97	S	76.4	Confident	79.1	Confident	47 Å²	47	75.2 Å²	75.2	33%	0.329	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-60.3	-39.1	-176.6	51.6	0	0	0	0	112.1	Y93 A99 H100 I103	Y93-S97 WeakPolarHBondContact O-CA 3.35Å; Y93-S97 PolarHBondContact O-N 3.43Å; S97-A99 PolarHBondContact O-N 2.91Å; S97-A99 VanDerWaalsContact O-N 3.15Å; S97-H100 WeakPolarHBondContact O-CB 3.35Å; S97-H100 PolarHBondContact O-N 3.12Å; S97-H100 VanDerWaalsContact O-N 3.11Å; S97-I103 VanDerWaalsContact O-CD1 3.22Å; S97-I103 WeakPolarHBondContact O-CD1 3.44Å
98	Y	82.7	Confident	80.1	Confident	60 Å²	60	72.3 Å²	72.3	24%	0.235	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-68.6	-7.2	179.4	-73.5	-80.3	0	0	0	114.1	D96 H100 I103 H104 M107 S161 E212	D96-Y98 VanDerWaalsContact C-N 3.27Å; D96-Y98 PolarHBondContact O-N 3.38Å; Y98-H100 PolarHBondContact O-N 3.07Å; Y98-I103 HydrophobicContact CD1-CG2 4.05Å; Y98-I103 HydrophobicContact CE1-CG2 3.98Å; Y98-H104 PolarHBondContact O-CD2 3.11Å; Y98-H104 PolarHBondContact O-NE2 3.01Å; Y98-M107 HydrophobicContact CD1-CE 4.35Å; Y98-M107 HydrophobicContact CE1-CE 4.32Å; Y98-S161 PolarHBondContact O-OG 2.85Å; Y98-E212 WeakPolarHBondContact CE2-OE2 3.33Å; Y98-E212 PolarHBondContact OH-OE1 2.84Å; Y98-E212 VanDerWaalsContact OH-OE1 3.14Å; Y98-E212 PolarHBondContact OH-OE2 2.99Å
99	A	80.9	Confident	81.1	Confident	2 Å²	2	78.1 Å²	78.1	2%	0.017	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-68.4	-21.7	170.1	0	0	0	0	0	112.3	M88 Y93 D96 S97 F101 S161 S162	M88-A99 HydrophobicContact CE-CB 3.49Å; M88-A99 VanDerWaalsContact CE-CB 3.49Å; M88-A99 HydrophobicContact SD-CB 3.53Å; M88-A99 VanDerWaalsContact SD-CB 3.53Å; Y93-A99 HydrophobicContact CD1-CB 3.84Å; Y93-A99 HydrophobicContact CE1-CB 3.66Å; D96-A99 HydrophobicContact CB-CB 4.38Å; D96-A99 VanDerWaalsContact O-CB 3.3Å; D96-A99 WeakPolarHBondContact O-CB 3.44Å; D96-A99 PolarHBondContact O-N 2.92Å; D96-A99 VanDerWaalsContact O-N 3.15Å; D96-A99 PolarHBondContact OD1-N 3.08Å; S97-A99 PolarHBondContact O-N 2.91Å; S97-A99 VanDerWaalsContact O-N 3.15Å; A99-F101 PolarHBondContact O-N 3.29Å; A99-S161 VanDerWaalsContact CA-OG 3.3Å; A99-S161 WeakPolarHBondContact CA-OG 3.45Å; A99-S161 PolarHBondContact N-OG 3.47Å; A99-S162 WeakPolarHBondContact CB-OG 3.43Å
100	H	85.1	Confident	82.1	Confident	77 Å²	77	75 Å²	75	36%	0.356	35%	0.354	S	S	.	.	S	Bend	trans	-79.5	122.2	-175	-165.4	-82.5	0	0	0	111.2	Y93 S97 Y98 G102 I103	Y93-H100 HydrophobicContact CD1-CB 3.89Å; Y93-H100 HydrophobicContact CE1-CB 3.94Å; S97-H100 WeakPolarHBondContact O-CB 3.35Å; S97-H100 PolarHBondContact O-N 3.12Å; S97-H100 VanDerWaalsContact O-N 3.11Å; Y98-H100 PolarHBondContact O-N 3.07Å; H100-G102 PolarHBondContact ND1-N 3Å; H100-G102 VanDerWaalsContact ND1-N 3.12Å; H100-G102 PolarHBondContact O-N 3.24Å; H100-G102 VanDerWaalsContact O-N 3.08Å; H100-I103 PolarHBondContact O-N 3.46Å
101	F	86.9	Confident	83.6	Confident	133 Å²	133	76.4 Å²	76.4	58%	0.583	35%	0.35	S	S	*	.	H	α-helix	trans	-56.1	-32	-177.4	74.5	-90.6	0	0	0	113.4	A99 I103 H104 E105	A99-F101 PolarHBondContact O-N 3.29Å; F101-I103 VanDerWaalsContact C-N 3.27Å; F101-I103 PolarHBondContact O-N 3.49Å; F101-H104 CarbonylContact O-C 3.57Å; F101-H104 PolarHBondContact O-N 2.88Å; F101-E105 PolarHBondContact O-N 3.22Å
102	G	88.9	Confident	85.3	Confident	24 Å²	24	70.1 Å²	70.1	25%	0.247	33%	0.33	C	S	.	.	H	α-helix	trans	-59.3	-34.4	-177.8	0	0	0	0	0	113.8	H100 E105 E106	H100-G102 PolarHBondContact ND1-N 3Å; H100-G102 VanDerWaalsContact ND1-N 3.12Å; H100-G102 PolarHBondContact O-N 3.24Å; H100-G102 VanDerWaalsContact O-N 3.08Å; G102-E105 PolarHBondContact O-N 3.07Å; G102-E106 PolarHBondContact O-N 3.29Å; G102-E106 VanDerWaalsContact O-N 3.14Å
103	I	90.6	Very high	86.7	Confident	56 Å²	56	69.2 Å²	69.2	29%	0.287	33%	0.325	S	S	.	.	H	α-helix	trans	-67.5	-43.7	175.7	-56.4	-175.2	0	0	0	109.6	S97 Y98 H100 F101 E105 E106 M107	S97-I103 VanDerWaalsContact O-CD1 3.22Å; S97-I103 WeakPolarHBondContact O-CD1 3.44Å; Y98-I103 HydrophobicContact CD1-CG2 4.05Å; Y98-I103 HydrophobicContact CE1-CG2 3.98Å; H100-I103 PolarHBondContact O-N 3.46Å; F101-I103 VanDerWaalsContact C-N 3.27Å; F101-I103 PolarHBondContact O-N 3.49Å; I103-E105 PolarHBondContact O-N 3.06Å; I103-E106 PolarHBondContact O-N 3.27Å; I103-M107 HydrophobicContact CG2-CE 4.11Å; I103-M107 WeakPolarHBondContact O-CG 3.36Å; I103-M107 PolarHBondContact O-N 2.87Å
104	H	94.4	Very high	88.5	Confident	10 Å²	10	66.9 Å²	66.9	5%	0.046	32%	0.317	C	S	.	.	H	α-helix	trans	-67.9	-34.6	176.9	-66.1	-83.9	0	0	0	112.8	Y98 F101 M107 L108 T140	Y98-H104 PolarHBondContact O-CD2 3.11Å; Y98-H104 PolarHBondContact O-NE2 3.01Å; F101-H104 CarbonylContact O-C 3.57Å; F101-H104 PolarHBondContact O-N 2.88Å; H104-M107 HydrophobicContact CB-CE 4.33Å; H104-M107 VanDerWaalsContact ND1-CE 3.33Å; H104-M107 WeakPolarHBondContact ND1-CE 3.4Å; H104-M107 PolarHBondContact O-N 3.36Å; H104-L108 VanDerWaalsContact O-CB 3.24Å; H104-L108 WeakPolarHBondContact O-CB 3.36Å; H104-L108 WeakPolarHBondContact O-CD1 3.21Å; H104-L108 WeakPolarHBondContact O-CG 3.37Å; H104-L108 PolarHBondContact O-N 3.43Å; H104-T140 HydrophobicContact CB-CG2 3.8Å
105	E	96.3	Very high	90.9	Very high	83 Å²	83	60.5 Å²	60.5	39%	0.388	30%	0.295	S	S	.	.	H	α-helix	trans	-62	-44.6	175.1	-176.2	-179.6	176.2	0	0	111.2	F101 G102 I103 L108 K109	F101-E105 PolarHBondContact O-N 3.22Å; G102-E105 PolarHBondContact O-N 3.07Å; I103-E105 PolarHBondContact O-N 3.06Å; E105-L108 PolarHBondContact O-N 3.01Å; E105-K109 HydrophobicContact CG-CD 4.01Å; E105-K109 WeakPolarHBondContact O-CB 3.34Å; E105-K109 WeakPolarHBondContact O-CG 3.25Å; E105-K109 PolarHBondContact O-N 3.34Å; E105-K109 WeakPolarHBondContact OE1-CE 3.47Å; E105-K109 IonicContact OE1-NZ 2.6Å; E105-K109 PolarHBondContact OE1-NZ 2.81Å
106	E	95.9	Very high	92.4	Very high	82 Å²	82	53.5 Å²	53.5	38%	0.383	27%	0.266	S	S	.	.	H	α-helix	trans	-60.7	-49.6	174.2	179.3	169.3	-155.4	0	0	111.4	G102 I103 L108 K109 D110 H352	G102-E106 PolarHBondContact O-N 3.29Å; G102-E106 VanDerWaalsContact O-N 3.14Å; I103-E106 PolarHBondContact O-N 3.27Å; E106-L108 VanDerWaalsContact C-N 3.33Å; E106-L108 PolarHBondContact O-N 3Å; E106-K109 PolarHBondContact O-N 3.26Å; E106-D110 PolarHBondContact O-N 3.37Å; E106-D110 VanDerWaalsContact O-N 3.11Å; E106-H352 HydrophobicContact CG-CB 3.78Å
107	M	96.6	Very high	93.4	Very high	22 Å²	22	51.9 Å²	51.9	11%	0.108	26%	0.257	C	S	.	.	H	α-helix	trans	-60.3	-39.7	177.5	-71.3	-169.4	-67.2	0	0	112.8	Y98 I103 H104 R113 T114	Y98-M107 HydrophobicContact CD1-CE 4.35Å; Y98-M107 HydrophobicContact CE1-CE 4.32Å; I103-M107 HydrophobicContact CG2-CE 4.11Å; I103-M107 WeakPolarHBondContact O-CG 3.36Å; I103-M107 PolarHBondContact O-N 2.87Å; H104-M107 HydrophobicContact CB-CE 4.33Å; H104-M107 VanDerWaalsContact ND1-CE 3.33Å; H104-M107 WeakPolarHBondContact ND1-CE 3.4Å; H104-M107 PolarHBondContact O-N 3.36Å; M107-R113 PolarHBondContact O-NE 2.65Å; M107-R113 PolarHBondContact O-NH2 2.9Å; M107-T114 PolarHBondContact O-OG1 3.46Å
108	L	97.6	Very high	94.4	Very high	68 Å²	68	53.7 Å²	53.7	36%	0.356	26%	0.257	S	S	.	.	H	α-helix	trans	-74.7	-34.7	-179.2	-73.6	168	0	0	0	112.5	H104 E105 E106 D110 T140 I142	H104-L108 VanDerWaalsContact O-CB 3.24Å; H104-L108 WeakPolarHBondContact O-CB 3.36Å; H104-L108 WeakPolarHBondContact O-CD1 3.21Å; H104-L108 WeakPolarHBondContact O-CG 3.37Å; H104-L108 PolarHBondContact O-N 3.43Å; E105-L108 PolarHBondContact O-N 3.01Å; E106-L108 VanDerWaalsContact C-N 3.33Å; E106-L108 PolarHBondContact O-N 3Å; L108-D110 VanDerWaalsContact C-N 3.28Å; L108-T140 HydrophobicContact CD1-CG2 4.38Å; L108-I142 HydrophobicContact CD2-CB 3.93Å; L108-I142 HydrophobicContact CD2-CG1 3.86Å; L108-I142 HydrophobicContact CD2-CG2 3.86Å
109	K	98.3	Very high	95.2	Very high	145 Å²	145	52.9 Å²	52.9	63%	0.63	26%	0.257	S	S	*	.	H	α-helix	trans	-74.5	-17.1	175.7	-76.4	177.7	173	174.6	0	113.3	E105 E106 E111	E105-K109 HydrophobicContact CG-CD 4.01Å; E105-K109 WeakPolarHBondContact O-CB 3.34Å; E105-K109 WeakPolarHBondContact O-CG 3.25Å; E105-K109 PolarHBondContact O-N 3.34Å; E105-K109 WeakPolarHBondContact OE1-CE 3.47Å; E105-K109 IonicContact OE1-NZ 2.6Å; E105-K109 PolarHBondContact OE1-NZ 2.81Å; E106-K109 PolarHBondContact O-N 3.26Å; K109-E111 VanDerWaalsContact C-N 3.33Å; K109-E111 PolarHBondContact O-N 3.39Å
110	D	98.6	Very high	96.1	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.021	26%	0.256	C	S	.	.			trans	-67.9	92.4	166.2	-172.3	-22	0	0	0	110	E106 L108 V112 R113 T114 T351 H352	E106-D110 PolarHBondContact O-N 3.37Å; E106-D110 VanDerWaalsContact O-N 3.11Å; L108-D110 VanDerWaalsContact C-N 3.28Å; D110-V112 PolarHBondContact OD1-N 3.11Å; D110-R113 HydrophobicContact CB-CB 4.01Å; D110-R113 VanDerWaalsContact CG-CB 3.42Å; D110-R113 WeakPolarHBondContact OD1-CB 3.26Å; D110-R113 PolarHBondContact OD1-N 3.23Å; D110-T114 VanDerWaalsContact O-CB 3.28Å; D110-T114 WeakPolarHBondContact O-CB 3.42Å; D110-T114 PolarHBondContact O-N 3.36Å; D110-T114 PolarHBondContact O-OG1 3.28Å; D110-T351 VanDerWaalsContact OD2-CA 3.3Å; D110-T351 WeakPolarHBondContact OD2-CA 3.35Å; D110-T351 WeakPolarHBondContact OD2-CB 3.43Å; D110-H352 HydrophobicContact CB-CB 4.43Å; D110-H352 IonicContact OD2-CE1 2.65Å; D110-H352 IonicContact OD2-CG 2.86Å; D110-H352 PolarHBondContact OD2-N 2.71Å; D110-H352 IonicContact OD2-ND1 3.93Å; D110-H352 PolarHBondContact OD2-ND1 3.38Å
111	E	98.6	Very high	96.7	Very high	137 Å²	137	49.1 Å²	49.1	64%	0.64	24%	0.239	S	C	*	.	H	α-helix	trans	-68.5	-35.5	180	-70.2	-169.3	-178	0	0	112.3	K109 R113 T114 L115	K109-E111 VanDerWaalsContact C-N 3.33Å; K109-E111 PolarHBondContact O-N 3.39Å; E111-R113 VanDerWaalsContact C-N 3.34Å; E111-R113 PolarHBondContact O-N 2.79Å; E111-T114 PolarHBondContact O-N 3.15Å; E111-L115 HydrophobicContact CB-CD1 3.93Å; E111-L115 HydrophobicContact CB-CG 4.21Å; E111-L115 HydrophobicContact CG-CD1 4.49Å; E111-L115 WeakPolarHBondContact O-CA 3.18Å; E111-L115 WeakPolarHBondContact O-CB 3.48Å; E111-L115 WeakPolarHBondContact O-CG 3.41Å; E111-L115 PolarHBondContact O-N 2.83Å
112	V	98.8	Very high	97.3	Very high	40 Å²	40	46.3 Å²	46.3	24%	0.242	23%	0.225	C	C	.	.	H	α-helix	trans	-59.9	-49.4	178.5	173.7	0	0	0	0	109.3	D110 T116 F342 A349 T351	D110-V112 PolarHBondContact OD1-N 3.11Å; V112-T116 VanDerWaalsContact O-CB 3.22Å; V112-T116 WeakPolarHBondContact O-CB 3.28Å; V112-T116 PolarHBondContact O-N 2.93Å; V112-T116 PolarHBondContact O-OG1 3.4Å; V112-F342 HydrophobicContact CG1-CB 3.65Å; V112-F342 HydrophobicContact CG1-CD2 4.34Å; V112-F342 HydrophobicContact CG1-CG 4.1Å; V112-A349 HydrophobicContact CG2-CB 3.76Å; V112-T351 HydrophobicContact CB-CG2 4.02Å; V112-T351 HydrophobicContact CG1-CG2 3.86Å
113	R	98.8	Very high	97.8	Very high	11 Å²	11	51.4 Å²	51.4	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-58.5	-64.1	172.8	-178.5	-170.2	85.5	102.3	14.7	110.9	M107 D110 E111 L115 T116 Y117 E203 W353	M107-R113 PolarHBondContact O-NE 2.65Å; M107-R113 PolarHBondContact O-NH2 2.9Å; D110-R113 HydrophobicContact CB-CB 4.01Å; D110-R113 VanDerWaalsContact CG-CB 3.42Å; D110-R113 WeakPolarHBondContact OD1-CB 3.26Å; D110-R113 PolarHBondContact OD1-N 3.23Å; E111-R113 VanDerWaalsContact C-N 3.34Å; E111-R113 PolarHBondContact O-N 2.79Å; R113-L115 PolarHBondContact O-N 3.46Å; R113-T116 PolarHBondContact O-N 2.87Å; R113-Y117 HydrophobicContact CG-CD2 4.39Å; R113-Y117 HydrophobicContact CG-CE2 4.41Å; R113-Y117 WeakPolarHBondContact O-CD2 3.16Å; R113-Y117 PolarHBondContact O-N 2.99Å; R113-E203 HydrophobicContact CG-CG 4.41Å; R113-E203 IonicContact CZ-OE2 3.69Å; R113-E203 IonicContact NH1-OE2 3.87Å; R113-E203 PolarHBondContact NH1-OE2 3.21Å; R113-W353 HydrophobicContact CB-CH2 4.13Å; R113-W353 HydrophobicContact CB-CZ3 3.92Å; R113-W353 HydrophobicContact CG-CH2 3.56Å; R113-W353 HydrophobicContact CG-CZ3 3.9Å
114	T	98.8	Very high	98.1	Very high	14 Å²	14	48.9 Å²	48.9	9%	0.086	23%	0.229	C	C	.	.	H	α-helix	trans	-64.9	-42.6	-166	-56.1	0	0	0	0	112.1	M107 D110 E111 R118 F146	M107-T114 PolarHBondContact O-OG1 3.46Å; D110-T114 VanDerWaalsContact O-CB 3.28Å; D110-T114 WeakPolarHBondContact O-CB 3.42Å; D110-T114 PolarHBondContact O-N 3.36Å; D110-T114 PolarHBondContact O-OG1 3.28Å; E111-T114 PolarHBondContact O-N 3.15Å; T114-R118 WeakPolarHBondContact O-CB 3.46Å; T114-R118 PolarHBondContact O-N 2.94Å; T114-F146 HydrophobicContact CG2-CE2 3.95Å; T114-F146 HydrophobicContact CG2-CZ 4.05Å
115	L	98.8	Very high	98.4	Very high	55 Å²	55	53.3 Å²	53.3	29%	0.288	25%	0.248	S	C	.	.	H	α-helix	trans	-71.5	-31.4	179.1	-58.8	179.1	0	0	0	111.9	E111 R113 R118 N119	E111-L115 HydrophobicContact CB-CD1 3.93Å; E111-L115 HydrophobicContact CB-CG 4.21Å; E111-L115 HydrophobicContact CG-CD1 4.49Å; E111-L115 WeakPolarHBondContact O-CA 3.18Å; E111-L115 WeakPolarHBondContact O-CB 3.48Å; E111-L115 WeakPolarHBondContact O-CG 3.41Å; E111-L115 PolarHBondContact O-N 2.83Å; R113-L115 PolarHBondContact O-N 3.46Å; L115-R118 VanDerWaalsContact CD2-CZ 3.41Å; L115-R118 PolarHBondContact O-N 3.44Å; L115-N119 WeakPolarHBondContact O-CB 3.47Å; L115-N119 PolarHBondContact O-N 2.82Å; L115-N119 PolarHBondContact O-ND2 3.08Å; L115-N119 PolarHBondContact O-OD1 3.25Å
116	T	98.9	Very high	98.5	Very high	19 Å²	19	55.7 Å²	55.7	12%	0.117	26%	0.259	C	S	.	.	H	α-helix	trans	-66.5	-44.2	176.7	-58.6	0	0	0	0	111.3	V112 R113 N119 S120 F333 T340 F342	V112-T116 VanDerWaalsContact O-CB 3.22Å; V112-T116 WeakPolarHBondContact O-CB 3.28Å; V112-T116 PolarHBondContact O-N 2.93Å; V112-T116 PolarHBondContact O-OG1 3.4Å; R113-T116 PolarHBondContact O-N 2.87Å; T116-N119 PolarHBondContact O-N 2.94Å; T116-S120 WeakPolarHBondContact O-CB 3.08Å; T116-S120 PolarHBondContact O-N 3.49Å; T116-F333 HydrophobicContact CG2-CD2 4.16Å; T116-F333 HydrophobicContact CG2-CE2 3.73Å; T116-T340 HydrophobicContact CG2-CG2 3.97Å; T116-F342 HydrophobicContact CG2-CD1 3.88Å
117	Y	98.9	Very high	98.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.4	-47.2	170.9	-85.8	-89.4	0	0	0	112.3	R113 N119 S120 M121 L143 S202 E203 M205 P234 F333	R113-Y117 HydrophobicContact CG-CD2 4.39Å; R113-Y117 HydrophobicContact CG-CE2 4.41Å; R113-Y117 WeakPolarHBondContact O-CD2 3.16Å; R113-Y117 PolarHBondContact O-N 2.99Å; Y117-N119 VanDerWaalsContact C-N 3.3Å; Y117-N119 PolarHBondContact O-N 3.22Å; Y117-S120 PolarHBondContact O-N 2.8Å; Y117-S120 PolarHBondContact O-OG 2.97Å; Y117-M121 HydrophobicContact CD1-CE 4.23Å; Y117-M121 WeakPolarHBondContact O-CG 3.41Å; Y117-M121 PolarHBondContact O-N 3.44Å; Y117-L143 HydrophobicContact CD1-CD1 4Å; Y117-L143 HydrophobicContact CD1-CD2 3.93Å; Y117-L143 HydrophobicContact CE1-CD1 4.07Å; Y117-L143 HydrophobicContact CG-CD2 3.82Å; Y117-S202 WeakPolarHBondContact CE1-O 3.16Å; Y117-S202 PolarHBondContact OH-O 2.93Å; Y117-E203 HydrophobicContact CE1-CB 4.41Å; Y117-E203 HydrophobicContact CE2-CB 4.11Å; Y117-E203 HydrophobicContact CE2-CG 3.72Å; Y117-E203 VanDerWaalsContact OH-CA 3.25Å; Y117-E203 WeakPolarHBondContact OH-CA 3.37Å; Y117-M205 HydrophobicContact CE2-CE 4.2Å; Y117-M205 WeakPolarHBondContact OH-CE 3.46Å; Y117-P234 WeakPolarHBondContact OH-CD 3.29Å; Y117-F333 AromaticContact CD1-CE1 3.97Å; Y117-F333 HydrophobicContact CD1-CE1 3.97Å; Y117-F333 AromaticContact CD1-CZ 3.9Å; Y117-F333 HydrophobicContact CD1-CZ 3.9Å; Y117-F333 HydrophobicContact CD2-CZ 4.15Å; Y117-F333 AromaticContact CE1-CE1 3.96Å; Y117-F333 HydrophobicContact CE1-CE1 3.96Å; Y117-F333 AromaticContact CE1-CZ 3.87Å; Y117-F333 HydrophobicContact CE1-CZ 3.87Å; Y117-F333 HydrophobicContact CE2-CZ 4.1Å; Y117-F333 HydrophobicContact CG-CZ 4.05Å; Y117-F333 AromaticContact CZ-CZ 3.97Å
118	R	98.9	Very high	98.7	Very high	86 Å²	86	51.9 Å²	51.9	33%	0.325	24%	0.242	S	C	.	.	H	α-helix	trans	-57.4	-46.6	177.4	-171.3	-168.4	69.4	-173	0.4	111.3	T114 L115 M121 Y122 F146	T114-R118 WeakPolarHBondContact O-CB 3.46Å; T114-R118 PolarHBondContact O-N 2.94Å; L115-R118 VanDerWaalsContact CD2-CZ 3.41Å; L115-R118 PolarHBondContact O-N 3.44Å; R118-M121 PolarHBondContact O-N 3.46Å; R118-Y122 HydrophobicContact CG-CD1 4.16Å; R118-Y122 HydrophobicContact CG-CD2 3.9Å; R118-Y122 HydrophobicContact CG-CE1 4.19Å; R118-Y122 HydrophobicContact CG-CE2 3.94Å; R118-Y122 HydrophobicContact CG-CG 4.02Å; R118-Y122 VanDerWaalsContact O-CB 3.28Å; R118-Y122 WeakPolarHBondContact O-CB 3.47Å; R118-Y122 PolarHBondContact O-N 3.27Å; R118-F146 HydrophobicContact CB-CD1 4.41Å; R118-F146 HydrophobicContact CB-CD2 3.82Å; R118-F146 HydrophobicContact CB-CE1 4.27Å; R118-F146 HydrophobicContact CB-CE2 3.65Å; R118-F146 HydrophobicContact CB-CG 4.21Å; R118-F146 HydrophobicContact CB-CZ 3.88Å; R118-F146 HydrophobicContact CG-CD1 3.88Å; R118-F146 HydrophobicContact CG-CD2 4.18Å; R118-F146 HydrophobicContact CG-CE1 3.84Å; R118-F146 HydrophobicContact CG-CE2 4.13Å; R118-F146 HydrophobicContact CG-CG 4.06Å; R118-F146 HydrophobicContact CG-CZ 3.96Å
119	N	98.8	Very high	98.8	Very high	43 Å²	43	54.8 Å²	54.8	23%	0.23	25%	0.252	C	S	.	.	H	α-helix	trans	-70	-35.2	-176.5	-68.2	-10.6	0	0	0	111.7	L115 T116 Y117 M121 H123	L115-N119 WeakPolarHBondContact O-CB 3.47Å; L115-N119 PolarHBondContact O-N 2.82Å; L115-N119 PolarHBondContact O-ND2 3.08Å; L115-N119 PolarHBondContact O-OD1 3.25Å; T116-N119 PolarHBondContact O-N 2.94Å; Y117-N119 VanDerWaalsContact C-N 3.3Å; Y117-N119 PolarHBondContact O-N 3.22Å; N119-M121 PolarHBondContact O-N 3.5Å; N119-H123 VanDerWaalsContact O-CB 3.28Å; N119-H123 WeakPolarHBondContact O-CB 3.36Å; N119-H123 PolarHBondContact O-N 3.11Å
120	S	98.9	Very high	98.8	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.5	-30.5	174.7	75.7	0	0	0	0	111.8	T116 Y117 N124	T116-S120 WeakPolarHBondContact O-CB 3.08Å; T116-S120 PolarHBondContact O-N 3.49Å; Y117-S120 PolarHBondContact O-N 2.8Å; Y117-S120 PolarHBondContact O-OG 2.97Å; S120-N124 WeakPolarHBondContact O-CB 3.39Å; S120-N124 PolarHBondContact O-ND2 3.37Å
121	M	98.9	Very high	98.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-87.6	-50.3	174.1	-53.2	178.9	-152.3	0	0	112.6	Y117 R118 N119 H123 N124 K125 F128 L143 F146 A147 A150 I201	Y117-M121 HydrophobicContact CD1-CE 4.23Å; Y117-M121 WeakPolarHBondContact O-CG 3.41Å; Y117-M121 PolarHBondContact O-N 3.44Å; R118-M121 PolarHBondContact O-N 3.46Å; N119-M121 PolarHBondContact O-N 3.5Å; M121-H123 PolarHBondContact O-N 3.34Å; M121-N124 CarbonylContact O-C 3.55Å; M121-N124 VanDerWaalsContact O-C 3.24Å; M121-N124 PolarHBondContact O-N 2.94Å; M121-N124 VanDerWaalsContact O-N 3.08Å; M121-K125 PolarHBondContact O-N 2.85Å; M121-K125 VanDerWaalsContact O-N 3.15Å; M121-F128 HydrophobicContact CB-CD2 4.32Å; M121-F128 HydrophobicContact CB-CE2 3.98Å; M121-F128 HydrophobicContact CB-CZ 4.12Å; M121-F128 HydrophobicContact CG-CE1 4.01Å; M121-F128 HydrophobicContact CG-CE2 3.94Å; M121-F128 HydrophobicContact CG-CZ 3.58Å; M121-F128 HydrophobicContact SD-CE1 4.37Å; M121-F128 HydrophobicContact SD-CZ 4.49Å; M121-L143 HydrophobicContact CE-CB 4.38Å; M121-L143 HydrophobicContact CE-CD2 4.42Å; M121-F146 HydrophobicContact CE-CB 4.35Å; M121-F146 HydrophobicContact SD-CB 3.59Å; M121-F146 VanDerWaalsContact SD-CB 3.59Å; M121-A147 HydrophobicContact SD-CB 4.03Å; M121-A147 PolarHBondContact SD-N 3.27Å; M121-A150 HydrophobicContact CB-CB 4.04Å; M121-I201 HydrophobicContact CE-CB 4.4Å; M121-I201 HydrophobicContact CE-CD1 4.03Å; M121-I201 HydrophobicContact CE-CG2 4.06Å
122	Y	98.8	Very high	98.8	Very high	73 Å²	73	50.9 Å²	50.9	29%	0.286	24%	0.239	S	C	.	.	H	α-helix	trans	-71.1	-31.4	-170.6	-81.3	25.5	0	0	0	113.3	R118 N124 K125 F146 K149 A150	R118-Y122 HydrophobicContact CG-CD1 4.16Å; R118-Y122 HydrophobicContact CG-CD2 3.9Å; R118-Y122 HydrophobicContact CG-CE1 4.19Å; R118-Y122 HydrophobicContact CG-CE2 3.94Å; R118-Y122 HydrophobicContact CG-CG 4.02Å; R118-Y122 VanDerWaalsContact O-CB 3.28Å; R118-Y122 WeakPolarHBondContact O-CB 3.47Å; R118-Y122 PolarHBondContact O-N 3.27Å; Y122-N124 VanDerWaalsContact C-N 3.27Å; Y122-K125 WeakPolarHBondContact O-CG 3.28Å; Y122-F146 HydrophobicContact CE1-CB 4.03Å; Y122-F146 HydrophobicContact CE1-CD1 4.22Å; Y122-F146 HydrophobicContact CE1-CG 4.44Å; Y122-F146 WeakPolarHBondContact CE1-O 3.4Å; Y122-K149 HydrophobicContact CE1-CB 3.87Å; Y122-K149 VanDerWaalsContact OH-CB 3.24Å; Y122-K149 WeakPolarHBondContact OH-CB 3.42Å; Y122-A150 HydrophobicContact CD1-CB 4.4Å
123	H	98.8	Very high	98.8	Very high	132 Å²	132	49 Å²	49	61%	0.611	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-5.9	174.5	-57.6	155.8	0	0	0	112.4	N119 M121	N119-H123 VanDerWaalsContact O-CB 3.28Å; N119-H123 WeakPolarHBondContact O-CB 3.36Å; N119-H123 PolarHBondContact O-N 3.11Å; M121-H123 PolarHBondContact O-N 3.34Å
124	N	98.8	Very high	98.8	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.016	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.2	36.5	-178.6	-53.1	-80.9	0	0	0	112	S120 M121 Y122 H126 I127 C336 H337	S120-N124 WeakPolarHBondContact O-CB 3.39Å; S120-N124 PolarHBondContact O-ND2 3.37Å; M121-N124 CarbonylContact O-C 3.55Å; M121-N124 VanDerWaalsContact O-C 3.24Å; M121-N124 PolarHBondContact O-N 2.94Å; M121-N124 VanDerWaalsContact O-N 3.08Å; Y122-N124 VanDerWaalsContact C-N 3.27Å; N124-H126 PolarHBondContact O-N 2.93Å; N124-I127 HydrophobicContact CB-CD1 3.75Å; N124-I127 HydrophobicContact CB-CG1 4.07Å; N124-I127 VanDerWaalsContact O-CB 3.29Å; N124-I127 WeakPolarHBondContact O-CB 3.28Å; N124-I127 PolarHBondContact O-N 2.95Å; N124-C336 PolarHBondContact ND2-SG 3.43Å; N124-H337 PolarHBondContact OD1-N 2.83Å
125	K	98.8	Very high	98.8	Very high	103 Å²	103	47.8 Å²	47.8	45%	0.448	22%	0.222	S	C	.	.	H	α-helix	trans	-52.3	-29.9	-179.4	-65.9	-170.5	-179.7	-171.3	0	114	M121 Y122 I127 F128 K129 A150	M121-K125 PolarHBondContact O-N 2.85Å; M121-K125 VanDerWaalsContact O-N 3.15Å; Y122-K125 WeakPolarHBondContact O-CG 3.28Å; K125-I127 PolarHBondContact O-N 3.21Å; K125-F128 PolarHBondContact O-N 2.89Å; K125-F128 VanDerWaalsContact O-N 3.11Å; K125-K129 WeakPolarHBondContact O-CB 3.29Å; K125-K129 PolarHBondContact O-N 3.41Å; K125-A150 WeakPolarHBondContact CB-O 3.23Å; K125-A150 HydrophobicContact CG-CB 4.21Å
126	H	98.6	Very high	98.8	Very high	132 Å²	132	45.2 Å²	45.2	61%	0.611	21%	0.208	S	C	*	.	H	α-helix	trans	-60.1	-25.8	175.8	64.6	-85.5	0	0	0	113.3	N124	N124-H126 PolarHBondContact O-N 2.93Å
127	I	98.4	Very high	98.8	Very high	24 Å²	24	45.5 Å²	45.5	12%	0.123	22%	0.215	C	C	.	.	H	α-helix	trans	-75.9	-41	174.8	-58.4	-176	0	0	0	110.8	N124 K125 K131 I199 L231 F233 K335	N124-I127 HydrophobicContact CB-CD1 3.75Å; N124-I127 HydrophobicContact CB-CG1 4.07Å; N124-I127 VanDerWaalsContact O-CB 3.29Å; N124-I127 WeakPolarHBondContact O-CB 3.28Å; N124-I127 PolarHBondContact O-N 2.95Å; K125-I127 PolarHBondContact O-N 3.21Å; I127-K131 WeakPolarHBondContact O-CG 3.48Å; I127-I199 HydrophobicContact CG2-CD1 3.97Å; I127-L231 HydrophobicContact CG2-CD1 3.3Å; I127-F233 HydrophobicContact CD1-CZ 4.38Å; I127-F233 HydrophobicContact CG2-CE2 4.47Å; I127-F233 HydrophobicContact CG2-CZ 4.34Å; I127-K335 VanDerWaalsContact CD1-O 3.29Å; I127-K335 WeakPolarHBondContact CD1-O 3.41Å
128	F	98.9	Very high	98.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-86.3	-24.1	-174	-72.2	-93.8	0	0	0	113.6	M121 K125 D130 K131 V133 A147 A150 A152 I199 I201 F233	M121-F128 HydrophobicContact CB-CD2 4.32Å; M121-F128 HydrophobicContact CB-CE2 3.98Å; M121-F128 HydrophobicContact CB-CZ 4.12Å; M121-F128 HydrophobicContact CG-CE1 4.01Å; M121-F128 HydrophobicContact CG-CE2 3.94Å; M121-F128 HydrophobicContact CG-CZ 3.58Å; M121-F128 HydrophobicContact SD-CE1 4.37Å; M121-F128 HydrophobicContact SD-CZ 4.49Å; K125-F128 PolarHBondContact O-N 2.89Å; K125-F128 VanDerWaalsContact O-N 3.11Å; F128-D130 PolarHBondContact O-N 3.14Å; F128-K131 WeakPolarHBondContact O-CB 3.4Å; F128-K131 PolarHBondContact O-N 3.39Å; F128-K131 VanDerWaalsContact O-N 3.08Å; F128-V133 HydrophobicContact CD1-CG2 4.04Å; F128-V133 HydrophobicContact CE1-CG2 4.45Å; F128-A147 HydrophobicContact CD1-CB 4.33Å; F128-A147 HydrophobicContact CE1-CB 4.46Å; F128-A150 HydrophobicContact CB-CB 3.89Å; F128-A150 HydrophobicContact CD2-CB 4.45Å; F128-A150 HydrophobicContact CG-CB 4.08Å; F128-A152 VanDerWaalsContact O-CA 3.31Å; F128-A152 WeakPolarHBondContact O-CA 3.38Å; F128-A152 PolarHBondContact O-N 3.08Å; F128-I199 HydrophobicContact CD1-CD1 3.79Å; F128-I199 HydrophobicContact CE1-CD1 3.89Å; F128-I199 HydrophobicContact CE1-CG2 4.04Å; F128-I199 HydrophobicContact CG-CD1 4.14Å; F128-I199 HydrophobicContact CZ-CD1 4.31Å; F128-I199 HydrophobicContact CZ-CG2 4.35Å; F128-I201 HydrophobicContact CE1-CG2 4.15Å; F128-I201 HydrophobicContact CZ-CG2 4.46Å; F128-F233 HydrophobicContact CE2-CD1 4.37Å; F128-F233 AromaticContact CE2-CE1 3.81Å; F128-F233 HydrophobicContact CE2-CE1 3.81Å; F128-F233 HydrophobicContact CE2-CE2 4.3Å; F128-F233 AromaticContact CE2-CZ 3.78Å; F128-F233 HydrophobicContact CE2-CZ 3.78Å; F128-F233 AromaticContact CZ-CD1 3.95Å; F128-F233 HydrophobicContact CZ-CD1 3.95Å; F128-F233 HydrophobicContact CZ-CD2 4.13Å; F128-F233 AromaticContact CZ-CE1 3.83Å; F128-F233 HydrophobicContact CZ-CE1 3.83Å; F128-F233 HydrophobicContact CZ-CE2 4.02Å; F128-F233 HydrophobicContact CZ-CG 4.14Å; F128-F233 AromaticContact CZ-CZ 3.88Å; F128-F233 HydrophobicContact CZ-CZ 3.88Å
129	K	98.8	Very high	98.6	Very high	130 Å²	130	42 Å²	42	57%	0.565	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	126.5	-176.1	-172.2	-179.9	174.4	-175.5	0	111.3	K125 K131 G151	K125-K129 WeakPolarHBondContact O-CB 3.29Å; K125-K129 PolarHBondContact O-N 3.41Å; K129-K131 PolarHBondContact O-N 3.06Å; K129-G151 VanDerWaalsContact CA-O 3.29Å; K129-G151 WeakPolarHBondContact CA-O 3.47Å
130	D	98.8	Very high	98.6	Very high	108 Å²	108	40.8 Å²	40.8	58%	0.578	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	21.3	178.1	-54.6	-45.1	0	0	0	114.4	F128 G151	F128-D130 PolarHBondContact O-N 3.14Å; D130-G151 PolarHBondContact N-O 2.95Å
131	K	98.9	Very high	98.6	Very high	72 Å²	72	40.8 Å²	40.8	31%	0.313	20%	0.199	S	C	.	.			trans	-98.4	152.3	177.7	-59.5	-51.9	175.2	-171.1	0	113.5	I127 F128 K129 A152 K153 H154 D198 I199	I127-K131 WeakPolarHBondContact O-CG 3.48Å; F128-K131 WeakPolarHBondContact O-CB 3.4Å; F128-K131 PolarHBondContact O-N 3.39Å; F128-K131 VanDerWaalsContact O-N 3.08Å; K129-K131 PolarHBondContact O-N 3.06Å; K131-A152 CarbonylContact O-C 3.19Å; K131-K153 PolarHBondContact O-N 2.87Å; K131-H154 PolarHBondContact O-N 3.5Å; K131-D198 WeakPolarHBondContact CA-OD2 3.34Å; K131-D198 HydrophobicContact CB-CB 3.89Å; K131-D198 HydrophobicContact CD-CB 3.94Å; K131-D198 HydrophobicContact CG-CB 4.21Å; K131-I199 HydrophobicContact CB-CD1 4.17Å; K131-I199 HydrophobicContact CG-CD1 4.17Å
132	V	98.9	Very high	98.6	Very high	23 Å²	23	42.5 Å²	42.5	14%	0.139	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	120.7	167.4	-178.4	0	0	0	0	108.8	H154 Y156 V194 V197 D198 I199	V132-H154 WeakPolarHBondContact CA-O 3.3Å; V132-Y156 HydrophobicContact CG1-CD2 3.85Å; V132-Y156 HydrophobicContact CG1-CE2 3.56Å; V132-V194 HydrophobicContact CG1-CG2 4.42Å; V132-V197 HydrophobicContact CG1-CB 4.38Å; V132-V197 HydrophobicContact CG1-CG1 4.02Å; V132-D198 PolarHBondContact N-OD2 3.16Å; V132-D198 WeakPolarHBondContact O-CB 3.31Å; V132-D198 PolarHBondContact O-N 2.81Å; V132-I199 PolarHBondContact O-N 2.81Å
133	V	98.9	Very high	98.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	139.6	-176.2	-174.6	0	0	0	0	110.1	F128 A147 A152 H154 V155 Y156 I199 I201	F128-V133 HydrophobicContact CD1-CG2 4.04Å; F128-V133 HydrophobicContact CE1-CG2 4.45Å; V133-A147 HydrophobicContact CB-CB 4.44Å; V133-A147 HydrophobicContact CG1-CB 4.1Å; V133-A147 HydrophobicContact CG2-CB 4.36Å; V133-A152 HydrophobicContact CG2-CB 3.77Å; V133-H154 PolarHBondContact N-O 2.78Å; V133-V155 HydrophobicContact CB-CG1 4.24Å; V133-V155 HydrophobicContact CB-CG2 4.25Å; V133-V155 HydrophobicContact CG1-CG1 4.44Å; V133-V155 CarbonylContact O-C 3.57Å; V133-V155 WeakPolarHBondContact O-CA 3.14Å; V133-Y156 PolarHBondContact O-N 3.44Å; V133-I199 CarbonylContact C-O 3.58Å; V133-I199 WeakPolarHBondContact CA-O 3.25Å; V133-I199 HydrophobicContact CG1-CB 4.37Å; V133-I199 HydrophobicContact CG1-CG2 4.44Å; V133-I199 HydrophobicContact CG2-CB 4.26Å; V133-I199 HydrophobicContact CG2-CD1 4.48Å; V133-I201 HydrophobicContact CG1-CD1 3.95Å; V133-I201 HydrophobicContact CG1-CG1 3.94Å; V133-I201 HydrophobicContact CG1-CG2 4.07Å
134	L	98.9	Very high	98.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.3	170.5	177.9	61.3	0	0	0	109.9	V136 Y156 I158 L192 V197 I199 I200 I201 A221 W225	L134-V136 HydrophobicContact CD2-CG2 3.99Å; L134-V136 HydrophobicContact CG-CG2 3.89Å; L134-Y156 CarbonylContact C-O 3.53Å; L134-Y156 WeakPolarHBondContact CA-O 3.34Å; L134-Y156 WeakPolarHBondContact CD1-O 3.35Å; L134-I158 HydrophobicContact CD1-CD1 3.74Å; L134-I158 HydrophobicContact CD1-CG1 4.04Å; L134-L192 HydrophobicContact CD1-CD1 3.92Å; L134-L192 HydrophobicContact CD1-CD2 4.34Å; L134-L192 HydrophobicContact CD2-CD1 4.18Å; L134-V197 HydrophobicContact CB-CB 4.31Å; L134-V197 HydrophobicContact CB-CG1 4.14Å; L134-V197 HydrophobicContact CB-CG2 3.91Å; L134-V197 HydrophobicContact CD2-CG2 4.43Å; L134-I199 PolarHBondContact N-O 2.99Å; L134-I200 HydrophobicContact CB-CG1 4.1Å; L134-I200 HydrophobicContact CD2-CD1 4.41Å; L134-I200 HydrophobicContact CD2-CG1 4.16Å; L134-I200 CarbonylContact O-C 3.24Å; L134-I200 WeakPolarHBondContact O-CA 3.31Å; L134-I201 PolarHBondContact O-N 3.14Å; L134-A221 HydrophobicContact CD2-CB 4.16Å; L134-W225 HydrophobicContact CD2-CB 4.39Å; L134-W225 HydrophobicContact CD2-CD2 4.37Å; L134-W225 HydrophobicContact CD2-CE3 3.7Å; L134-W225 HydrophobicContact CD2-CZ3 4.33Å
135	D	98.9	Very high	98.6	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	105.9	173.5	-170.1	3.4	0	0	0	109.6	S144 Y156 G157 I158 I201	D135-S144 WeakPolarHBondContact CB-OG 3.47Å; D135-S144 WeakPolarHBondContact OD2-CB 3.4Å; D135-S144 PolarHBondContact OD2-N 3.37Å; D135-S144 PolarHBondContact OD2-OG 3.15Å; D135-Y156 PolarHBondContact N-O 2.79Å; D135-G157 WeakPolarHBondContact O-CA 3.24Å; D135-I158 PolarHBondContact O-N 3.25Å; D135-I201 WeakPolarHBondContact CA-O 3.29Å; D135-I201 HydrophobicContact CB-CD1 3.95Å; D135-I201 HydrophobicContact CB-CG1 3.77Å
136	V	98.7	Very high	98.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	111.3	-174.8	-178.1	0	0	0	0	109	L134 V187 I200 I201 S202 M214 T217 V218 A221	L134-V136 HydrophobicContact CD2-CG2 3.99Å; L134-V136 HydrophobicContact CG-CG2 3.89Å; V136-V187 HydrophobicContact CG1-CG1 4.3Å; V136-V187 HydrophobicContact CG1-CG2 3.88Å; V136-I200 HydrophobicContact CG2-CG2 3.87Å; V136-I201 PolarHBondContact N-O 2.66Å; V136-S202 PolarHBondContact O-OG 3.22Å; V136-M214 VanDerWaalsContact O-CE 3.31Å; V136-M214 WeakPolarHBondContact O-CE 3.35Å; V136-T217 HydrophobicContact CG1-CG2 3.88Å; V136-V218 HydrophobicContact CG1-CG2 4.24Å; V136-A221 HydrophobicContact CG2-CB 3.71Å
137	G	97.6	Very high	98.6	Very high	25 Å²	25	24 Å²	24	26%	0.258	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	57	-170.3	0	0	0	0	0	111.2	G139 I158	G137-G139 PolarHBondContact O-N 2.89Å; G137-G139 VanDerWaalsContact O-N 3.16Å; G137-I158 CarbonylContact C-O 3.53Å; G137-I158 VanDerWaalsContact CA-O 3.28Å; G137-I158 WeakPolarHBondContact CA-O 3.43Å; G137-I158 PolarHBondContact N-O 2.62Å
138	S	97.9	Very high	98.7	Very high	6 Å²	6	23.4 Å²	23.4	4%	0.042	13%	0.125	C	C	.	.			trans	-65.8	-19	-168.4	66	0	0	0	0	114.3	T140 G141 I158 E159	S138-T140 PolarHBondContact O-N 3.32Å; S138-G141 WeakPolarHBondContact O-CA 3.35Å; S138-G141 PolarHBondContact O-N 2.8Å; S138-I158 PolarHBondContact N-O 3.2Å; S138-E159 WeakPolarHBondContact OG-CB 3.22Å
139	G	97.7	Very high	98.6	Very high	7 Å²	7	29 Å²	29	7%	0.072	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	-121.5	178.7	0	0	0	0	0	112.2	G137 G141 E159 S167	G137-G139 PolarHBondContact O-N 2.89Å; G137-G139 VanDerWaalsContact O-N 3.16Å; G139-G141 PolarHBondContact O-N 2.78Å; G139-E159 VanDerWaalsContact CA-OE2 3.23Å; G139-E159 WeakPolarHBondContact CA-OE2 3.32Å; G139-E159 PolarHBondContact N-OE2 2.7Å; G139-S167 VanDerWaalsContact O-CB 3.26Å; G139-S167 WeakPolarHBondContact O-CB 3.44Å
140	T	97.9	Very high	98.6	Very high	18 Å²	18	22.9 Å²	22.9	11%	0.11	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-4.5	175.6	52.3	0	0	0	0	114.7	H104 L108 S138 I163 S167	H104-T140 HydrophobicContact CB-CG2 3.8Å; L108-T140 HydrophobicContact CD1-CG2 4.38Å; S138-T140 PolarHBondContact O-N 3.32Å; T140-I163 HydrophobicContact CG2-CD1 4.31Å; T140-I163 HydrophobicContact CG2-CG1 4.11Å; T140-S167 VanDerWaalsContact C-CB 3.43Å; T140-S167 WeakPolarHBondContact O-CB 3.24Å
141	G	98.5	Very high	98.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	82	10.1	-177.9	0	0	0	0	0	114.1	S138 G139 L143 S144 M145	S138-G141 WeakPolarHBondContact O-CA 3.35Å; S138-G141 PolarHBondContact O-N 2.8Å; G139-G141 PolarHBondContact O-N 2.78Å; G141-L143 PolarHBondContact O-N 3.11Å; G141-S144 WeakPolarHBondContact O-CB 3.45Å; G141-S144 PolarHBondContact O-N 3.35Å; G141-M145 WeakPolarHBondContact O-CG 3.15Å; G141-M145 PolarHBondContact O-N 3.15Å
142	I	98.9	Very high	98.6	Very high	35 Å²	35	16.2 Å²	16.2	18%	0.179	10%	0.099	C	C	.	.	H	α-helix	trans	-60.7	-42.7	-175.1	-172.9	57.7	0	0	0	113	L108 M145 F146	L108-I142 HydrophobicContact CD2-CB 3.93Å; L108-I142 HydrophobicContact CD2-CG1 3.86Å; L108-I142 HydrophobicContact CD2-CG2 3.86Å; I142-M145 HydrophobicContact CD1-CE 4.08Å; I142-M145 PolarHBondContact O-N 3.49Å; I142-F146 HydrophobicContact CD1-CD1 4.49Å; I142-F146 HydrophobicContact CD1-CE1 3.76Å; I142-F146 HydrophobicContact CD1-CE2 4.19Å; I142-F146 HydrophobicContact CD1-CZ 3.58Å; I142-F146 HydrophobicContact CG1-CD2 4.48Å; I142-F146 HydrophobicContact CG1-CE1 4.29Å; I142-F146 HydrophobicContact CG1-CE2 3.79Å; I142-F146 HydrophobicContact CG1-CZ 3.67Å; I142-F146 WeakPolarHBondContact O-CG 3.45Å; I142-F146 PolarHBondContact O-N 2.97Å
143	L	98.9	Very high	98.6	Very high	9 Å²	9	22 Å²	22	5%	0.047	12%	0.123	C	C	.	.	H	α-helix	trans	-70.3	-41.7	179.3	-59.2	-172.7	0	0	0	111	Y117 M121 G141 M145 F146 A147 I201 E203	Y117-L143 HydrophobicContact CD1-CD1 4Å; Y117-L143 HydrophobicContact CD1-CD2 3.93Å; Y117-L143 HydrophobicContact CE1-CD1 4.07Å; Y117-L143 HydrophobicContact CG-CD2 3.82Å; M121-L143 HydrophobicContact CE-CB 4.38Å; M121-L143 HydrophobicContact CE-CD2 4.42Å; G141-L143 PolarHBondContact O-N 3.11Å; L143-M145 VanDerWaalsContact C-N 3.31Å; L143-M145 PolarHBondContact O-N 3.16Å; L143-F146 HydrophobicContact CD2-CD2 4.11Å; L143-F146 HydrophobicContact CD2-CE2 4.42Å; L143-F146 WeakPolarHBondContact O-CB 3.18Å; L143-F146 PolarHBondContact O-N 3.43Å; L143-F146 VanDerWaalsContact O-N 3.11Å; L143-A147 PolarHBondContact O-N 3.31Å; L143-I201 HydrophobicContact CB-CD1 3.88Å; L143-E203 HydrophobicContact CD1-CB 3.94Å
144	S	98.9	Very high	98.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-54.6	-45.1	170.9	-70.1	0	0	0	0	112.7	D135 G141 F146 A147 A148	D135-S144 WeakPolarHBondContact CB-OG 3.47Å; D135-S144 WeakPolarHBondContact OD2-CB 3.4Å; D135-S144 PolarHBondContact OD2-N 3.37Å; D135-S144 PolarHBondContact OD2-OG 3.15Å; G141-S144 WeakPolarHBondContact O-CB 3.45Å; G141-S144 PolarHBondContact O-N 3.35Å; S144-F146 VanDerWaalsContact C-N 3.34Å; S144-F146 PolarHBondContact O-N 2.64Å; S144-A147 PolarHBondContact O-N 2.71Å; S144-A148 PolarHBondContact O-N 3.25Å
145	M	98.9	Very high	98.6	Very high	22 Å²	22	23.8 Å²	23.8	11%	0.108	13%	0.131	C	C	.	.	H	α-helix	trans	-64.9	-36	176.5	-71	-168.7	-70.4	0	0	112.5	G141 I142 L143 K149 I170 I171 N174 L176 I180	G141-M145 WeakPolarHBondContact O-CG 3.15Å; G141-M145 PolarHBondContact O-N 3.15Å; I142-M145 HydrophobicContact CD1-CE 4.08Å; I142-M145 PolarHBondContact O-N 3.49Å; L143-M145 VanDerWaalsContact C-N 3.31Å; L143-M145 PolarHBondContact O-N 3.16Å; M145-K149 WeakPolarHBondContact O-CB 3.41Å; M145-K149 VanDerWaalsContact O-CG 3.31Å; M145-K149 WeakPolarHBondContact O-CG 3.05Å; M145-K149 PolarHBondContact O-N 3.38Å; M145-I170 HydrophobicContact CE-CG2 3.62Å; M145-I170 HydrophobicContact SD-CG2 3.97Å; M145-I171 HydrophobicContact CG-CG1 4.24Å; M145-N174 HydrophobicContact SD-CB 4.22Å; M145-L176 HydrophobicContact CB-CD1 3.89Å; M145-L176 HydrophobicContact CG-CD1 3.68Å; M145-L176 HydrophobicContact SD-CD1 4.19Å; M145-I180 HydrophobicContact CB-CD1 4.42Å; M145-I180 HydrophobicContact CG-CD1 3.88Å
146	F	98.9	Very high	98.6	Very high	23 Å²	23	24.9 Å²	24.9	10%	0.101	14%	0.135	C	C	.	.	H	α-helix	trans	-64.4	-45.7	172.2	-64.4	-26.9	0	0	0	111.8	T114 R118 M121 Y122 I142 L143 S144 A148 K149 A150	T114-F146 HydrophobicContact CG2-CE2 3.95Å; T114-F146 HydrophobicContact CG2-CZ 4.05Å; R118-F146 HydrophobicContact CB-CD1 4.41Å; R118-F146 HydrophobicContact CB-CD2 3.82Å; R118-F146 HydrophobicContact CB-CE1 4.27Å; R118-F146 HydrophobicContact CB-CE2 3.65Å; R118-F146 HydrophobicContact CB-CG 4.21Å; R118-F146 HydrophobicContact CB-CZ 3.88Å; R118-F146 HydrophobicContact CG-CD1 3.88Å; R118-F146 HydrophobicContact CG-CD2 4.18Å; R118-F146 HydrophobicContact CG-CE1 3.84Å; R118-F146 HydrophobicContact CG-CE2 4.13Å; R118-F146 HydrophobicContact CG-CG 4.06Å; R118-F146 HydrophobicContact CG-CZ 3.96Å; M121-F146 HydrophobicContact CE-CB 4.35Å; M121-F146 HydrophobicContact SD-CB 3.59Å; M121-F146 VanDerWaalsContact SD-CB 3.59Å; Y122-F146 HydrophobicContact CE1-CB 4.03Å; Y122-F146 HydrophobicContact CE1-CD1 4.22Å; Y122-F146 HydrophobicContact CE1-CG 4.44Å; Y122-F146 WeakPolarHBondContact CE1-O 3.4Å; I142-F146 HydrophobicContact CD1-CD1 4.49Å; I142-F146 HydrophobicContact CD1-CE1 3.76Å; I142-F146 HydrophobicContact CD1-CE2 4.19Å; I142-F146 HydrophobicContact CD1-CZ 3.58Å; I142-F146 HydrophobicContact CG1-CD2 4.48Å; I142-F146 HydrophobicContact CG1-CE1 4.29Å; I142-F146 HydrophobicContact CG1-CE2 3.79Å; I142-F146 HydrophobicContact CG1-CZ 3.67Å; I142-F146 WeakPolarHBondContact O-CG 3.45Å; I142-F146 PolarHBondContact O-N 2.97Å; L143-F146 HydrophobicContact CD2-CD2 4.11Å; L143-F146 HydrophobicContact CD2-CE2 4.42Å; L143-F146 WeakPolarHBondContact O-CB 3.18Å; L143-F146 PolarHBondContact O-N 3.43Å; L143-F146 VanDerWaalsContact O-N 3.11Å; S144-F146 VanDerWaalsContact C-N 3.34Å; S144-F146 PolarHBondContact O-N 2.64Å; F146-A148 PolarHBondContact O-N 3.02Å; F146-K149 PolarHBondContact O-N 2.88Å; F146-A150 WeakPolarHBondContact O-CB 3.45Å; F146-A150 PolarHBondContact O-N 3.09Å
147	A	98.9	Very high	98.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.1	-43.8	177.9	0	0	0	0	0	112.1	M121 F128 V133 L143 S144 K149 A150 G151 A152 V155 I201	M121-A147 HydrophobicContact SD-CB 4.03Å; M121-A147 PolarHBondContact SD-N 3.27Å; F128-A147 HydrophobicContact CD1-CB 4.33Å; F128-A147 HydrophobicContact CE1-CB 4.46Å; V133-A147 HydrophobicContact CB-CB 4.44Å; V133-A147 HydrophobicContact CG1-CB 4.1Å; V133-A147 HydrophobicContact CG2-CB 4.36Å; L143-A147 PolarHBondContact O-N 3.31Å; S144-A147 PolarHBondContact O-N 2.71Å; A147-K149 PolarHBondContact O-N 3.09Å; A147-A150 WeakPolarHBondContact O-CB 3.47Å; A147-A150 PolarHBondContact O-N 3.43Å; A147-A150 VanDerWaalsContact O-N 3.11Å; A147-G151 PolarHBondContact O-N 2.63Å; A147-A152 WeakPolarHBondContact O-CB 3.44Å; A147-A152 PolarHBondContact O-N 3.17Å; A147-V155 HydrophobicContact CB-CG2 3.95Å; A147-I201 HydrophobicContact CB-CD1 3.98Å
148	A	98.9	Very high	98.7	Very high	13 Å²	13	23.7 Å²	23.7	11%	0.107	12%	0.123	C	C	.	.	H	α-helix	trans	-59.8	-47	175.2	0	0	0	0	0	111.8	S144 F146 A150 G151 V155 L176 V179 I180	S144-A148 PolarHBondContact O-N 3.25Å; F146-A148 PolarHBondContact O-N 3.02Å; A148-A150 PolarHBondContact O-N 3.13Å; A148-G151 PolarHBondContact O-N 2.93Å; A148-V155 HydrophobicContact CB-CG2 4.25Å; A148-L176 HydrophobicContact CB-CD2 4.22Å; A148-V179 HydrophobicContact CB-CB 4.48Å; A148-V179 HydrophobicContact CB-CG1 3.89Å; A148-I180 HydrophobicContact CB-CD1 3.81Å; A148-I180 HydrophobicContact CB-CG1 3.86Å
149	K	98.8	Very high	98.7	Very high	116 Å²	116	24.2 Å²	24.2	50%	0.504	13%	0.125	S	C	.	.	H	α-helix	trans	-67.5	-20	175.9	-70.5	-70.3	-174.6	-173	0	113.7	Y122 M145 F146 A147	Y122-K149 HydrophobicContact CE1-CB 3.87Å; Y122-K149 VanDerWaalsContact OH-CB 3.24Å; Y122-K149 WeakPolarHBondContact OH-CB 3.42Å; M145-K149 WeakPolarHBondContact O-CB 3.41Å; M145-K149 VanDerWaalsContact O-CG 3.31Å; M145-K149 WeakPolarHBondContact O-CG 3.05Å; M145-K149 PolarHBondContact O-N 3.38Å; F146-K149 PolarHBondContact O-N 2.88Å; A147-K149 PolarHBondContact O-N 3.09Å
150	A	98.8	Very high	98.4	Very high	2 Å²	2	26.9 Å²	26.9	2%	0.017	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-7.3	172.1	0	0	0	0	0	113.1	M121 Y122 K125 F128 F146 A147 A148	M121-A150 HydrophobicContact CB-CB 4.04Å; Y122-A150 HydrophobicContact CD1-CB 4.4Å; K125-A150 WeakPolarHBondContact CB-O 3.23Å; K125-A150 HydrophobicContact CG-CB 4.21Å; F128-A150 HydrophobicContact CB-CB 3.89Å; F128-A150 HydrophobicContact CD2-CB 4.45Å; F128-A150 HydrophobicContact CG-CB 4.08Å; F146-A150 WeakPolarHBondContact O-CB 3.45Å; F146-A150 PolarHBondContact O-N 3.09Å; A147-A150 WeakPolarHBondContact O-CB 3.47Å; A147-A150 PolarHBondContact O-N 3.43Å; A147-A150 VanDerWaalsContact O-N 3.11Å; A148-A150 PolarHBondContact O-N 3.13Å
151	G	98.8	Very high	98.2	Very high	31 Å²	31	26.1 Å²	26.1	32%	0.32	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.9	16.2	174.8	0	0	0	0	0	114.6	K129 D130 A147 A148 K153	K129-G151 VanDerWaalsContact CA-O 3.29Å; K129-G151 WeakPolarHBondContact CA-O 3.47Å; D130-G151 PolarHBondContact N-O 2.95Å; A147-G151 PolarHBondContact O-N 2.63Å; A148-G151 PolarHBondContact O-N 2.93Å; G151-K153 PolarHBondContact O-N 3.31Å
152	A	98.9	Very high	97.9	Very high	9 Å²	9	26.2 Å²	26.2	7%	0.074	14%	0.137	C	C	.	.			trans	-53.3	139.3	172.5	0	0	0	0	0	111.1	F128 K131 V133 A147 V155	F128-A152 VanDerWaalsContact O-CA 3.31Å; F128-A152 WeakPolarHBondContact O-CA 3.38Å; F128-A152 PolarHBondContact O-N 3.08Å; K131-A152 CarbonylContact O-C 3.19Å; V133-A152 HydrophobicContact CG2-CB 3.77Å; A147-A152 WeakPolarHBondContact O-CB 3.44Å; A147-A152 PolarHBondContact O-N 3.17Å; A152-V155 HydrophobicContact CB-CG2 3.76Å
153	K	98.8	Very high	97.6	Very high	146 Å²	146	24.9 Å²	24.9	64%	0.635	13%	0.131	S	C	*	.	S	Bend	trans	-65.2	-44.2	173.9	178.7	179.1	177.2	-176	0	110.5	K131 G151	K131-K153 PolarHBondContact O-N 2.87Å; G151-K153 PolarHBondContact O-N 3.31Å
154	H	98.9	Very high	97.4	Very high	37 Å²	37	24.5 Å²	24.5	17%	0.171	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	148.4	177	-154.3	86.8	0	0	0	109.5	K131 V132 V133 Y156 V179 T181	K131-H154 PolarHBondContact O-N 3.5Å; V132-H154 WeakPolarHBondContact CA-O 3.3Å; V133-H154 PolarHBondContact N-O 2.78Å; H154-Y156 AromaticContact CD2-CD1 3.45Å; H154-Y156 VanDerWaalsContact CD2-CD1 3.45Å; H154-Y156 WeakPolarHBondContact CD2-CD1 3.45Å; H154-Y156 AromaticContact CD2-CE1 3.05Å; H154-Y156 WeakPolarHBondContact CD2-CE1 3.45Å; H154-Y156 AromaticContact CD2-CZ 3.36Å; H154-Y156 AromaticContact NE2-CD1 3.69Å; H154-Y156 AromaticContact NE2-CE1 3.25Å; H154-Y156 VanDerWaalsContact NE2-CE1 3.25Å; H154-Y156 WeakPolarHBondContact NE2-CE1 3.3Å; H154-Y156 AromaticContact NE2-CZ 3.95Å; H154-V179 CarbonylContact C-O 3.51Å; H154-V179 WeakPolarHBondContact CA-O 3.47Å; H154-V179 PolarHBondContact CE1-O 3.12Å; H154-V179 PolarHBondContact ND1-O 2.91Å; H154-T181 PolarHBondContact CE1-OG1 3.14Å; H154-T181 PolarHBondContact NE2-OG1 2.87Å
155	V	98.9	Very high	97.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.2	173.3	-171.1	0	0	0	0	109.2	V133 A147 A148 A152 V179 I180 T181	V133-V155 HydrophobicContact CB-CG1 4.24Å; V133-V155 HydrophobicContact CB-CG2 4.25Å; V133-V155 HydrophobicContact CG1-CG1 4.44Å; V133-V155 CarbonylContact O-C 3.57Å; V133-V155 WeakPolarHBondContact O-CA 3.14Å; A147-V155 HydrophobicContact CB-CG2 3.95Å; A148-V155 HydrophobicContact CB-CG2 4.25Å; A152-V155 HydrophobicContact CB-CG2 3.76Å; V155-V179 PolarHBondContact N-O 3.05Å; V155-I180 HydrophobicContact CB-CG1 4.18Å; V155-I180 HydrophobicContact CB-CG2 4.34Å; V155-I180 HydrophobicContact CG2-CG1 4.44Å; V155-I180 CarbonylContact O-C 3.57Å; V155-I180 WeakPolarHBondContact O-CA 3.18Å; V155-T181 PolarHBondContact O-N 2.87Å
156	Y	98.9	Very high	97	Very high	24 Å²	24	29.9 Å²	29.9	9%	0.094	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	119.2	170.4	-59.5	-57.4	0	0	0	108.4	V132 V133 L134 D135 H154 T181 F183 L192 P193 V194	V132-Y156 HydrophobicContact CG1-CD2 3.85Å; V132-Y156 HydrophobicContact CG1-CE2 3.56Å; V133-Y156 PolarHBondContact O-N 3.44Å; L134-Y156 CarbonylContact C-O 3.53Å; L134-Y156 WeakPolarHBondContact CA-O 3.34Å; L134-Y156 WeakPolarHBondContact CD1-O 3.35Å; D135-Y156 PolarHBondContact N-O 2.79Å; H154-Y156 AromaticContact CD2-CD1 3.45Å; H154-Y156 VanDerWaalsContact CD2-CD1 3.45Å; H154-Y156 WeakPolarHBondContact CD2-CD1 3.45Å; H154-Y156 AromaticContact CD2-CE1 3.05Å; H154-Y156 WeakPolarHBondContact CD2-CE1 3.45Å; H154-Y156 AromaticContact CD2-CZ 3.36Å; H154-Y156 AromaticContact NE2-CD1 3.69Å; H154-Y156 AromaticContact NE2-CE1 3.25Å; H154-Y156 VanDerWaalsContact NE2-CE1 3.25Å; H154-Y156 WeakPolarHBondContact NE2-CE1 3.3Å; H154-Y156 AromaticContact NE2-CZ 3.95Å; Y156-T181 WeakPolarHBondContact CA-O 3.08Å; Y156-F183 AromaticContact CD1-CE2 3.62Å; Y156-F183 HydrophobicContact CD1-CE2 3.62Å; Y156-F183 HydrophobicContact CD1-CZ 4.33Å; Y156-F183 HydrophobicContact CE1-CE2 4.36Å; Y156-F183 HydrophobicContact CG-CE2 4.17Å; Y156-L192 HydrophobicContact CG-CD2 4.25Å; Y156-P193 HydrophobicContact CD1-CG 4.42Å; Y156-P193 HydrophobicContact CE1-CG 3.58Å; Y156-P193 HydrophobicContact CE2-CG 4.35Å; Y156-V194 HydrophobicContact CD2-CG2 4.18Å; Y156-V194 HydrophobicContact CE2-CB 4.5Å; Y156-V194 HydrophobicContact CE2-CG1 4Å; Y156-V194 HydrophobicContact CE2-CG2 3.64Å
157	G	98.8	Very high	97	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	136	171.4	0	0	0	0	0	110.4	D135 T181 I182 F183	D135-G157 WeakPolarHBondContact O-CA 3.24Å; G157-T181 PolarHBondContact N-O 3.08Å; G157-I182 CarbonylContact O-C 3.6Å; G157-I182 WeakPolarHBondContact O-CA 3.48Å; G157-F183 PolarHBondContact O-N 2.64Å
158	I	98.6	Very high	96.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.9	172.2	-56.1	167.3	0	0	0	108.3	L134 D135 G137 S138 F183 G185 V187 V190 L192 W225	L134-I158 HydrophobicContact CD1-CD1 3.74Å; L134-I158 HydrophobicContact CD1-CG1 4.04Å; D135-I158 PolarHBondContact O-N 3.25Å; G137-I158 CarbonylContact C-O 3.53Å; G137-I158 VanDerWaalsContact CA-O 3.28Å; G137-I158 WeakPolarHBondContact CA-O 3.43Å; G137-I158 PolarHBondContact N-O 2.62Å; S138-I158 PolarHBondContact N-O 3.2Å; I158-F183 WeakPolarHBondContact CA-O 3.28Å; I158-F183 HydrophobicContact CG1-CB 4.37Å; I158-G185 WeakPolarHBondContact CG2-O 3.4Å; I158-V187 HydrophobicContact CB-CG2 4.07Å; I158-V187 HydrophobicContact CD1-CG1 4.32Å; I158-V187 HydrophobicContact CD1-CG2 4.39Å; I158-V187 HydrophobicContact CG2-CB 4.41Å; I158-V187 HydrophobicContact CG2-CG2 3.67Å; I158-V190 HydrophobicContact CD1-CG2 3.52Å; I158-V190 HydrophobicContact CG1-CG2 3.96Å; I158-V190 HydrophobicContact CG2-CG2 3.83Å; I158-L192 HydrophobicContact CD1-CD2 4.29Å; I158-L192 HydrophobicContact CG1-CD2 4.49Å; I158-W225 HydrophobicContact CD1-CH2 4.04Å; I158-W225 HydrophobicContact CD1-CZ3 3.98Å
159	E	97.2	Very high	96.9	Very high	16 Å²	16	40.6 Å²	40.6	8%	0.075	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	128.3	178.1	176.3	52.9	-107.7	0	0	109.9	S138 G139 S161 I163 F183 K184 G185	S138-E159 WeakPolarHBondContact OG-CB 3.22Å; G139-E159 VanDerWaalsContact CA-OE2 3.23Å; G139-E159 WeakPolarHBondContact CA-OE2 3.32Å; G139-E159 PolarHBondContact N-OE2 2.7Å; E159-S161 WeakPolarHBondContact OE1-CB 3.44Å; E159-S161 PolarHBondContact OE1-N 2.89Å; E159-I163 HydrophobicContact CG-CG2 3.66Å; E159-F183 PolarHBondContact N-O 3.2Å; E159-F183 VanDerWaalsContact N-O 3.08Å; E159-K184 CarbonylContact O-C 3.54Å; E159-K184 VanDerWaalsContact O-CA 3.24Å; E159-K184 WeakPolarHBondContact O-CA 3.41Å; E159-G185 CarbonylContact C-O 3.52Å; E159-G185 PolarHBondContact O-N 3.27Å
160	C	92.9	Very high	96.9	Very high	64 Å²	64	37.9 Å²	37.9	43%	0.432	18%	0.183	S	C	.	.			trans	-87.9	-24.6	-178.6	65.8	0	0	0	0	112.5	F82 G185 K186	F82-C160 WeakPolarHBondContact CE1-O 3.3Å; C160-G185 WeakPolarHBondContact CA-O 3.14Å; C160-G185 WeakPolarHBondContact CB-O 3.29Å; C160-G185 PolarHBondContact N-O 3.34Å; C160-K186 HydrophobicContact CB-CG 4.14Å
161	S	92.4	Very high	96.9	Very high	1 Å²	1	38 Å²	38	1%	0.007	18%	0.183	C	C	.	.	S	Bend	trans	-74.8	155.3	-179.5	-179.8	0	0	0	0	112.7	D96 Y98 A99 E159 I163 S164	D96-S161 WeakPolarHBondContact OD1-CB 3.43Å; D96-S161 PolarHBondContact OD1-OG 3.3Å; D96-S161 WeakPolarHBondContact OD2-CA 3.42Å; D96-S161 PolarHBondContact OD2-OG 3.3Å; Y98-S161 PolarHBondContact O-OG 2.85Å; A99-S161 VanDerWaalsContact CA-OG 3.3Å; A99-S161 WeakPolarHBondContact CA-OG 3.45Å; A99-S161 PolarHBondContact N-OG 3.47Å; E159-S161 WeakPolarHBondContact OE1-CB 3.44Å; E159-S161 PolarHBondContact OE1-N 2.89Å; S161-I163 PolarHBondContact O-N 2.86Å; S161-I163 VanDerWaalsContact O-N 3.16Å; S161-I163 PolarHBondContact OG-N 2.82Å; S161-S164 WeakPolarHBondContact O-CB 3.27Å; S161-S164 PolarHBondContact O-N 2.86Å; S161-S164 PolarHBondContact O-OG 2.81Å
162	S	92.3	Very high	96.9	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.014	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.3	174.6	71.7	0	0	0	0	114.1	P85 M88 D96 A99 S164 E165	P85-S162 WeakPolarHBondContact CG-O 3.4Å; M88-S162 PolarHBondContact SD-OG 3.2Å; D96-S162 PolarHBondContact OD2-N 2.91Å; A99-S162 WeakPolarHBondContact CB-OG 3.43Å; S162-S164 PolarHBondContact O-N 3.22Å; S162-E165 PolarHBondContact O-N 2.85Å
163	I	93.3	Very high	96.8	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.036	22%	0.222	C	C	.	.	H	α-helix	trans	-55.4	-24.5	171.5	-163.6	69.9	0	0	0	112.9	T140 E159 S161 E165 Y166 S167	T140-I163 HydrophobicContact CG2-CD1 4.31Å; T140-I163 HydrophobicContact CG2-CG1 4.11Å; E159-I163 HydrophobicContact CG-CG2 3.66Å; S161-I163 PolarHBondContact O-N 2.86Å; S161-I163 VanDerWaalsContact O-N 3.16Å; S161-I163 PolarHBondContact OG-N 2.82Å; I163-E165 PolarHBondContact O-N 2.65Å; I163-Y166 HydrophobicContact CD1-CD2 4.01Å; I163-Y166 WeakPolarHBondContact O-CB 3.42Å; I163-Y166 PolarHBondContact O-N 2.82Å; I163-S167 PolarHBondContact O-N 3.32Å
164	S	94.2	Very high	96.8	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.014	21%	0.213	C	C	.	.	H	α-helix	trans	-54.3	-32.7	174.2	50.4	0	0	0	0	113.7	S161 S162 Y166 S167 E168 K184	S161-S164 WeakPolarHBondContact O-CB 3.27Å; S161-S164 PolarHBondContact O-N 2.86Å; S161-S164 PolarHBondContact O-OG 2.81Å; S162-S164 PolarHBondContact O-N 3.22Å; S164-Y166 VanDerWaalsContact C-N 3.32Å; S164-Y166 PolarHBondContact O-N 2.84Å; S164-S167 WeakPolarHBondContact CA-OG 3.37Å; S164-S167 PolarHBondContact O-N 2.9Å; S164-S167 PolarHBondContact O-OG 3.16Å; S164-E168 PolarHBondContact O-N 3.03Å; S164-E168 VanDerWaalsContact O-N 3.11Å; S164-K184 WeakPolarHBondContact OG-CD 3.44Å; S164-K184 WeakPolarHBondContact OG-CG 3.4Å
165	E	94	Very high	96.8	Very high	61 Å²	61	49.4 Å²	49.4	29%	0.285	24%	0.239	S	C	.	.	H	α-helix	trans	-68	-34.7	177	-67	177.5	-153.7	0	0	111.8	P85 S162 I163 R169 K184	P85-E165 WeakPolarHBondContact CD-OE2 3.49Å; S162-E165 PolarHBondContact O-N 2.85Å; I163-E165 PolarHBondContact O-N 2.65Å; E165-R169 WeakPolarHBondContact O-CG 3.33Å; E165-K184 IonicContact OE1-NZ 2.65Å; E165-K184 PolarHBondContact OE1-NZ 3.06Å
166	Y	96.1	Very high	96.8	Very high	74 Å²	74	50.1 Å²	50.1	29%	0.29	24%	0.243	S	C	.	.	H	α-helix	trans	-74.1	-36.8	172.3	-65	-66.8	0	0	0	111.6	P85 D86 I163 S164 E168 R169 I170	P85-Y166 HydrophobicContact CB-CD2 4.27Å; P85-Y166 HydrophobicContact CB-CE2 3.28Å; P85-Y166 WeakPolarHBondContact CB-OH 3.38Å; P85-Y166 HydrophobicContact CG-CD2 3.97Å; P85-Y166 HydrophobicContact CG-CE2 3.44Å; P85-Y166 VanDerWaalsContact CG-CE2 3.44Å; D86-Y166 PolarHBondContact OD1-OH 2.91Å; I163-Y166 HydrophobicContact CD1-CD2 4.01Å; I163-Y166 WeakPolarHBondContact O-CB 3.42Å; I163-Y166 PolarHBondContact O-N 2.82Å; S164-Y166 VanDerWaalsContact C-N 3.32Å; S164-Y166 PolarHBondContact O-N 2.84Å; Y166-E168 PolarHBondContact O-N 2.84Å; Y166-R169 WeakPolarHBondContact O-CB 3.36Å; Y166-R169 PolarHBondContact O-N 2.79Å; Y166-I170 WeakPolarHBondContact O-CB 3.31Å; Y166-I170 WeakPolarHBondContact O-CD1 3.34Å; Y166-I170 VanDerWaalsContact O-CG1 3.22Å; Y166-I170 WeakPolarHBondContact O-CG1 3.41Å; Y166-I170 PolarHBondContact O-N 2.79Å
167	S	97.6	Very high	96.8	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62	-42	179.5	76.9	0	0	0	0	111.9	G139 T140 I163 S164 R169 I170 I171	G139-S167 VanDerWaalsContact O-CB 3.26Å; G139-S167 WeakPolarHBondContact O-CB 3.44Å; T140-S167 VanDerWaalsContact C-CB 3.43Å; T140-S167 WeakPolarHBondContact O-CB 3.24Å; I163-S167 PolarHBondContact O-N 3.32Å; S164-S167 WeakPolarHBondContact CA-OG 3.37Å; S164-S167 PolarHBondContact O-N 2.9Å; S164-S167 PolarHBondContact O-OG 3.16Å; S167-R169 VanDerWaalsContact C-N 3.35Å; S167-R169 PolarHBondContact O-N 2.93Å; S167-I170 PolarHBondContact O-N 2.83Å; S167-I171 WeakPolarHBondContact O-CB 3.22Å; S167-I171 WeakPolarHBondContact O-CD1 3.2Å; S167-I171 WeakPolarHBondContact O-CG1 3.18Å; S167-I171 PolarHBondContact O-N 3.08Å
168	E	97.8	Very high	96.7	Very high	104 Å²	104	57.7 Å²	57.7	49%	0.486	29%	0.292	S	S	.	.	H	α-helix	trans	-58.3	-44.3	173.1	-71.6	-173.6	169.6	0	0	112.4	S164 Y166 I171 K172 I182	S164-E168 PolarHBondContact O-N 3.03Å; S164-E168 VanDerWaalsContact O-N 3.11Å; Y166-E168 PolarHBondContact O-N 2.84Å; E168-I171 PolarHBondContact O-N 2.99Å; E168-K172 WeakPolarHBondContact O-CB 3.28Å; E168-K172 PolarHBondContact O-N 3.07Å; E168-I182 HydrophobicContact CG-CB 3.92Å; E168-I182 HydrophobicContact CG-CG1 4.15Å; E168-I182 HydrophobicContact CG-CG2 4.44Å
169	R	98.3	Very high	96.8	Very high	157 Å²	157	59.3 Å²	59.3	59%	0.592	30%	0.302	S	S	*	.	H	α-helix	trans	-63.8	-41.5	176.7	-68.6	171.3	62.9	177.8	0.2	111.8	E165 Y166 S167 S173	E165-R169 WeakPolarHBondContact O-CG 3.33Å; Y166-R169 WeakPolarHBondContact O-CB 3.36Å; Y166-R169 PolarHBondContact O-N 2.79Å; S167-R169 VanDerWaalsContact C-N 3.35Å; S167-R169 PolarHBondContact O-N 2.93Å; R169-S173 WeakPolarHBondContact O-CB 3.4Å; R169-S173 PolarHBondContact O-N 3.31Å; R169-S173 PolarHBondContact O-OG 3Å
170	I	98.6	Very high	96.8	Very high	59 Å²	59	58.9 Å²	58.9	30%	0.303	30%	0.3	S	S	.	.	H	α-helix	trans	-63.3	-48.7	177.2	-70.3	163.1	0	0	0	110	M145 Y166 S167 K172 S173 N174	M145-I170 HydrophobicContact CE-CG2 3.62Å; M145-I170 HydrophobicContact SD-CG2 3.97Å; Y166-I170 WeakPolarHBondContact O-CB 3.31Å; Y166-I170 WeakPolarHBondContact O-CD1 3.34Å; Y166-I170 VanDerWaalsContact O-CG1 3.22Å; Y166-I170 WeakPolarHBondContact O-CG1 3.41Å; Y166-I170 PolarHBondContact O-N 2.79Å; S167-I170 PolarHBondContact O-N 2.83Å; I170-K172 PolarHBondContact O-N 2.99Å; I170-S173 PolarHBondContact O-N 3.41Å; I170-N174 PolarHBondContact O-N 3.26Å; I170-N174 PolarHBondContact O-ND2 3.48Å
171	I	98.8	Very high	97.1	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-58.4	-47.4	179.8	-73.7	161.2	0	0	0	110.9	M145 S167 E168 N174 H175 L176 D177 I180 I182	M145-I171 HydrophobicContact CG-CG1 4.24Å; S167-I171 WeakPolarHBondContact O-CB 3.22Å; S167-I171 WeakPolarHBondContact O-CD1 3.2Å; S167-I171 WeakPolarHBondContact O-CG1 3.18Å; S167-I171 PolarHBondContact O-N 3.08Å; E168-I171 PolarHBondContact O-N 2.99Å; I171-N174 CarbonylContact O-C 3.53Å; I171-N174 PolarHBondContact O-N 3.29Å; I171-N174 VanDerWaalsContact O-N 3.16Å; I171-H175 PolarHBondContact O-N 2.89Å; I171-L176 HydrophobicContact CG2-CB 4.11Å; I171-L176 PolarHBondContact O-N 2.8Å; I171-L176 VanDerWaalsContact O-N 3.09Å; I171-D177 HydrophobicContact CG2-CB 4.15Å; I171-I180 HydrophobicContact CD1-CB 4.31Å; I171-I180 HydrophobicContact CD1-CG2 3.67Å; I171-I180 HydrophobicContact CG1-CD1 4.28Å; I171-I180 HydrophobicContact CG1-CG2 4.41Å; I171-I180 HydrophobicContact CG2-CB 3.97Å; I171-I180 HydrophobicContact CG2-CD1 4.29Å; I171-I182 HydrophobicContact CD1-CD1 3.69Å; I171-I182 HydrophobicContact CD1-CG1 3.56Å
172	K	98.6	Very high	97.4	Very high	139 Å²	139	59 Å²	59	60%	0.604	30%	0.298	S	S	*	.	H	α-helix	trans	-63.2	-41.4	176.8	-174.1	173.8	-176.1	173.5	0	112.4	E168 I170 N174 H175 D177	E168-K172 WeakPolarHBondContact O-CB 3.28Å; E168-K172 PolarHBondContact O-N 3.07Å; I170-K172 PolarHBondContact O-N 2.99Å; K172-N174 PolarHBondContact O-N 3.21Å; K172-H175 PolarHBondContact O-N 3.1Å; K172-D177 HydrophobicContact CB-CB 4.34Å
173	S	98.6	Very high	97.7	Very high	86 Å²	86	61.3 Å²	61.3	60%	0.601	31%	0.308	S	S	*	.	H	α-helix	trans	-63.6	-23.8	176.9	-58	0	0	0	0	112.7	R169 I170	R169-S173 WeakPolarHBondContact O-CB 3.4Å; R169-S173 PolarHBondContact O-N 3.31Å; R169-S173 PolarHBondContact O-OG 3Å; I170-S173 PolarHBondContact O-N 3.41Å
174	N	98.8	Very high	97.8	Very high	83 Å²	83	64 Å²	64	44%	0.444	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	8.1	176.6	-73.3	-84.5	0	0	0	113.5	M145 I170 I171 K172 L176	M145-N174 HydrophobicContact SD-CB 4.22Å; I170-N174 PolarHBondContact O-N 3.26Å; I170-N174 PolarHBondContact O-ND2 3.48Å; I171-N174 CarbonylContact O-C 3.53Å; I171-N174 PolarHBondContact O-N 3.29Å; I171-N174 VanDerWaalsContact O-N 3.16Å; K172-N174 PolarHBondContact O-N 3.21Å; N174-L176 VanDerWaalsContact C-N 3.32Å; N174-L176 HydrophobicContact CB-CD1 4.37Å; N174-L176 PolarHBondContact O-N 2.99Å
175	H	98.6	Very high	97.9	Very high	154 Å²	154	64.2 Å²	64.2	71%	0.713	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	40.1	178.2	-45.1	-55.1	0	0	0	113.6	I171 K172	I171-H175 PolarHBondContact O-N 2.89Å; K172-H175 PolarHBondContact O-N 3.1Å
176	L	98.7	Very high	97.9	Very high	16 Å²	16	66.3 Å²	66.3	8%	0.084	33%	0.331	C	S	.	.			trans	-115.2	3.3	179.6	-66.6	174.1	0	0	0	113	M145 A148 I171 N174 S178 V179 I180	M145-L176 HydrophobicContact CB-CD1 3.89Å; M145-L176 HydrophobicContact CG-CD1 3.68Å; M145-L176 HydrophobicContact SD-CD1 4.19Å; A148-L176 HydrophobicContact CB-CD2 4.22Å; I171-L176 HydrophobicContact CG2-CB 4.11Å; I171-L176 PolarHBondContact O-N 2.8Å; I171-L176 VanDerWaalsContact O-N 3.09Å; N174-L176 VanDerWaalsContact C-N 3.32Å; N174-L176 HydrophobicContact CB-CD1 4.37Å; N174-L176 PolarHBondContact O-N 2.99Å; L176-S178 PolarHBondContact O-N 2.99Å; L176-V179 PolarHBondContact O-N 2.98Å; L176-I180 HydrophobicContact CB-CD1 3.75Å; L176-I180 HydrophobicContact CB-CG1 4.25Å; L176-I180 HydrophobicContact CD1-CD1 4.12Å; L176-I180 PolarHBondContact O-N 3.28Å
177	D	97.9	Very high	97.9	Very high	84 Å²	84	63.3 Å²	63.3	45%	0.449	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.5	-178.6	54.4	-51.7	0	0	0	113.8	I171 K172 V179	I171-D177 HydrophobicContact CG2-CB 4.15Å; K172-D177 HydrophobicContact CB-CB 4.34Å; D177-V179 VanDerWaalsContact C-N 3.34Å
178	S	98.4	Very high	97.9	Very high	98 Å²	98	67.1 Å²	67.1	69%	0.685	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-16.3	170.5	58.7	0	0	0	0	114.1	L176	L176-S178 PolarHBondContact O-N 2.99Å
179	V	98.8	Very high	97.8	Very high	35 Å²	35	67.7 Å²	67.7	21%	0.212	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-27.6	-175.8	-178.6	0	0	0	0	111.7	A148 H154 V155 L176 D177	A148-V179 HydrophobicContact CB-CB 4.48Å; A148-V179 HydrophobicContact CB-CG1 3.89Å; H154-V179 CarbonylContact C-O 3.51Å; H154-V179 WeakPolarHBondContact CA-O 3.47Å; H154-V179 PolarHBondContact CE1-O 3.12Å; H154-V179 PolarHBondContact ND1-O 2.91Å; V155-V179 PolarHBondContact N-O 3.05Å; L176-V179 PolarHBondContact O-N 2.98Å; D177-V179 VanDerWaalsContact C-N 3.34Å
180	I	98.9	Very high	97.7	Very high	6 Å²	6	61 Å²	61	3%	0.031	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.3	-175.3	-50.3	174.3	0	0	0	109.7	M145 A148 V155 I171 L176 I182	M145-I180 HydrophobicContact CB-CD1 4.42Å; M145-I180 HydrophobicContact CG-CD1 3.88Å; A148-I180 HydrophobicContact CB-CD1 3.81Å; A148-I180 HydrophobicContact CB-CG1 3.86Å; V155-I180 HydrophobicContact CB-CG1 4.18Å; V155-I180 HydrophobicContact CB-CG2 4.34Å; V155-I180 HydrophobicContact CG2-CG1 4.44Å; V155-I180 CarbonylContact O-C 3.57Å; V155-I180 WeakPolarHBondContact O-CA 3.18Å; I171-I180 HydrophobicContact CD1-CB 4.31Å; I171-I180 HydrophobicContact CD1-CG2 3.67Å; I171-I180 HydrophobicContact CG1-CD1 4.28Å; I171-I180 HydrophobicContact CG1-CG2 4.41Å; I171-I180 HydrophobicContact CG2-CB 3.97Å; I171-I180 HydrophobicContact CG2-CD1 4.29Å; L176-I180 HydrophobicContact CB-CD1 3.75Å; L176-I180 HydrophobicContact CB-CG1 4.25Å; L176-I180 HydrophobicContact CD1-CD1 4.12Å; L176-I180 PolarHBondContact O-N 3.28Å; I180-I182 HydrophobicContact CG2-CD1 4.14Å
181	T	98.8	Very high	97.6	Very high	54 Å²	54	64.4 Å²	64.4	33%	0.331	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.9	172.6	-51.6	0	0	0	0	109.7	H154 V155 Y156 G157 F183	H154-T181 PolarHBondContact CE1-OG1 3.14Å; H154-T181 PolarHBondContact NE2-OG1 2.87Å; V155-T181 PolarHBondContact O-N 2.87Å; Y156-T181 WeakPolarHBondContact CA-O 3.08Å; G157-T181 PolarHBondContact N-O 3.08Å; T181-F183 HydrophobicContact CG2-CE2 4.04Å; T181-F183 HydrophobicContact CG2-CZ 4.05Å
182	I	98.5	Very high	97.5	Very high	14 Å²	14	65 Å²	65	7%	0.072	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	135.6	178	-58.5	-58.4	0	0	0	109.5	G157 E168 I171 I180	G157-I182 CarbonylContact O-C 3.6Å; G157-I182 WeakPolarHBondContact O-CA 3.48Å; E168-I182 HydrophobicContact CG-CB 3.92Å; E168-I182 HydrophobicContact CG-CG1 4.15Å; E168-I182 HydrophobicContact CG-CG2 4.44Å; I171-I182 HydrophobicContact CD1-CD1 3.69Å; I171-I182 HydrophobicContact CD1-CG1 3.56Å; I180-I182 HydrophobicContact CG2-CD1 4.14Å
183	F	97.9	Very high	97.5	Very high	51 Å²	51	62.6 Å²	62.6	22%	0.224	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	111.4	172.2	-66.1	-86.4	0	0	0	108.7	Y156 G157 I158 E159 T181 G185 L192 P193	Y156-F183 AromaticContact CD1-CE2 3.62Å; Y156-F183 HydrophobicContact CD1-CE2 3.62Å; Y156-F183 HydrophobicContact CD1-CZ 4.33Å; Y156-F183 HydrophobicContact CE1-CE2 4.36Å; Y156-F183 HydrophobicContact CG-CE2 4.17Å; G157-F183 PolarHBondContact O-N 2.64Å; I158-F183 WeakPolarHBondContact CA-O 3.28Å; I158-F183 HydrophobicContact CG1-CB 4.37Å; E159-F183 PolarHBondContact N-O 3.2Å; E159-F183 VanDerWaalsContact N-O 3.08Å; T181-F183 HydrophobicContact CG2-CE2 4.04Å; T181-F183 HydrophobicContact CG2-CZ 4.05Å; F183-G185 PolarHBondContact O-N 3Å; F183-L192 HydrophobicContact CD2-CD2 4Å; F183-L192 HydrophobicContact CE2-CD2 3.9Å; F183-P193 HydrophobicContact CZ-CG 4.24Å
184	K	96.6	Very high	97.5	Very high	63 Å²	63	60.5 Å²	60.5	27%	0.274	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	114	173.6	-172.3	174	-171	178.6	0	110.1	E159 S164 E165	E159-K184 CarbonylContact O-C 3.54Å; E159-K184 VanDerWaalsContact O-CA 3.24Å; E159-K184 WeakPolarHBondContact O-CA 3.41Å; S164-K184 WeakPolarHBondContact OG-CD 3.44Å; S164-K184 WeakPolarHBondContact OG-CG 3.4Å; E165-K184 IonicContact OE1-NZ 2.65Å; E165-K184 PolarHBondContact OE1-NZ 3.06Å
185	G	94.9	Very high	97.4	Very high	7 Å²	7	64.5 Å²	64.5	7%	0.072	33%	0.333	C	S	.	.	S	Bend	trans	158.5	173.8	179.4	0	0	0	0	0	113.1	I158 E159 C160 F183	I158-G185 WeakPolarHBondContact CG2-O 3.4Å; E159-G185 CarbonylContact C-O 3.52Å; E159-G185 PolarHBondContact O-N 3.27Å; C160-G185 WeakPolarHBondContact CA-O 3.14Å; C160-G185 WeakPolarHBondContact CB-O 3.29Å; C160-G185 PolarHBondContact N-O 3.34Å; F183-G185 PolarHBondContact O-N 3Å
186	K	94.1	Very high	97.4	Very high	105 Å²	105	61.3 Å²	61.3	46%	0.457	32%	0.317	S	S	.	.			trans	-74.3	142.1	172	-62	-169	-154.5	141.1	0	110.3	C160 E188 E189 V190	C160-K186 HydrophobicContact CB-CG 4.14Å; K186-E188 PolarHBondContact O-N 3.25Å; K186-E189 HydrophobicContact CB-CB 4.25Å; K186-E189 HydrophobicContact CB-CG 4.08Å; K186-E189 WeakPolarHBondContact CD-OE1 3.33Å; K186-E189 IonicContact NZ-OE1 3.67Å; K186-E189 PolarHBondContact NZ-OE1 3.07Å; K186-E189 PolarHBondContact O-N 3.4Å; K186-V190 WeakPolarHBondContact O-CG1 3.44Å; K186-V190 PolarHBondContact O-N 3.39Å; K186-V190 VanDerWaalsContact O-N 3.09Å
187	V	96.9	Very high	97.4	Very high	10 Å²	10	60.7 Å²	60.7	6%	0.061	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-36.2	-180	177.4	0	0	0	0	111.4	V136 I158 E189 T217 F220 A221 W225	V136-V187 HydrophobicContact CG1-CG1 4.3Å; V136-V187 HydrophobicContact CG1-CG2 3.88Å; I158-V187 HydrophobicContact CB-CG2 4.07Å; I158-V187 HydrophobicContact CD1-CG1 4.32Å; I158-V187 HydrophobicContact CD1-CG2 4.39Å; I158-V187 HydrophobicContact CG2-CB 4.41Å; I158-V187 HydrophobicContact CG2-CG2 3.67Å; V187-E189 VanDerWaalsContact C-N 3.26Å; V187-E189 PolarHBondContact O-N 2.77Å; V187-T217 HydrophobicContact CB-CG2 3.4Å; V187-T217 HydrophobicContact CG1-CG2 3.67Å; V187-T217 HydrophobicContact CG2-CG2 3.49Å; V187-T217 VanDerWaalsContact CG2-CG2 3.49Å; V187-F220 HydrophobicContact CG1-CD1 4.25Å; V187-A221 HydrophobicContact CG1-CB 4.08Å; V187-W225 HydrophobicContact CG1-CH2 4.39Å; V187-W225 HydrophobicContact CG1-CZ3 3.75Å; V187-W225 VanDerWaalsContact O-CH2 3.23Å; V187-W225 WeakPolarHBondContact O-CH2 3.47Å
188	E	97	Very high	97.5	Very high	80 Å²	80	58.2 Å²	58.2	37%	0.374	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-17.8	179.2	-57.5	78.6	-174.3	0	0	113.5	K186 T217 F220	K186-E188 PolarHBondContact O-N 3.25Å; E188-T217 WeakPolarHBondContact OE1-CB 3.4Å; E188-T217 WeakPolarHBondContact OE1-CG2 3.45Å; E188-T217 PolarHBondContact OE1-OG1 2.76Å; E188-F220 HydrophobicContact CB-CE1 4.28Å; E188-F220 HydrophobicContact CB-CE2 4.42Å; E188-F220 HydrophobicContact CB-CZ 4.17Å; E188-F220 HydrophobicContact CG-CD1 4.12Å; E188-F220 HydrophobicContact CG-CD2 4.17Å; E188-F220 HydrophobicContact CG-CE1 4.29Å; E188-F220 HydrophobicContact CG-CE2 4.31Å; E188-F220 HydrophobicContact CG-CG 4.06Å; E188-F220 HydrophobicContact CG-CZ 4.37Å
189	E	96.3	Very high	97.5	Very high	116 Å²	116	53.7 Å²	53.7	54%	0.542	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-16.4	-172.1	-62.6	174.4	-168.1	0	0	113.3	K186 V187	K186-E189 HydrophobicContact CB-CB 4.25Å; K186-E189 HydrophobicContact CB-CG 4.08Å; K186-E189 WeakPolarHBondContact CD-OE1 3.33Å; K186-E189 IonicContact NZ-OE1 3.67Å; K186-E189 PolarHBondContact NZ-OE1 3.07Å; K186-E189 PolarHBondContact O-N 3.4Å; V187-E189 VanDerWaalsContact C-N 3.26Å; V187-E189 PolarHBondContact O-N 2.77Å
190	V	95.5	Very high	97.5	Very high	18 Å²	18	52.1 Å²	52.1	11%	0.109	26%	0.259	C	S	.	.			trans	-90.2	154.6	-179.8	-61	0	0	0	0	112.7	I158 K186 K224 W225	I158-V190 HydrophobicContact CD1-CG2 3.52Å; I158-V190 HydrophobicContact CG1-CG2 3.96Å; I158-V190 HydrophobicContact CG2-CG2 3.83Å; K186-V190 WeakPolarHBondContact O-CG1 3.44Å; K186-V190 PolarHBondContact O-N 3.39Å; K186-V190 VanDerWaalsContact O-N 3.09Å; V190-K224 PolarHBondContact O-NZ 2.69Å; V190-K224 VanDerWaalsContact O-NZ 3.17Å; V190-W225 HydrophobicContact CG2-CH2 4.11Å; V190-W225 WeakPolarHBondContact O-CZ2 3.39Å
191	E	97.2	Very high	97.5	Very high	130 Å²	130	51.9 Å²	51.9	61%	0.607	26%	0.258	S	S	*	.			trans	-116.9	137.5	170.7	-68.5	-56.4	150.6	0	0	110.7	K224	E191-K224 VanDerWaalsContact CD-NZ 3.32Å; E191-K224 IonicContact OE1-NZ 3.61Å; E191-K224 PolarHBondContact OE1-NZ 3.19Å; E191-K224 IonicContact OE2-NZ 2.84Å; E191-K224 PolarHBondContact OE2-NZ 3.38Å
192	L	97.4	Very high	97.5	Very high	16 Å²	16	49.4 Å²	49.4	8%	0.084	24%	0.243	C	C	.	.			trans	-90.1	150.7	176.7	-64.4	-179.8	0	0	0	110.3	L134 Y156 I158 F183 V194 V197 W225	L134-L192 HydrophobicContact CD1-CD1 3.92Å; L134-L192 HydrophobicContact CD1-CD2 4.34Å; L134-L192 HydrophobicContact CD2-CD1 4.18Å; Y156-L192 HydrophobicContact CG-CD2 4.25Å; I158-L192 HydrophobicContact CD1-CD2 4.29Å; I158-L192 HydrophobicContact CG1-CD2 4.49Å; F183-L192 HydrophobicContact CD2-CD2 4Å; F183-L192 HydrophobicContact CE2-CD2 3.9Å; L192-V194 HydrophobicContact CB-CG2 4.2Å; L192-V194 PolarHBondContact O-N 3.08Å; L192-V197 HydrophobicContact CD1-CG1 4.1Å; L192-W225 HydrophobicContact CD1-CB 4.46Å; L192-W225 HydrophobicContact CD1-CD2 3.76Å; L192-W225 HydrophobicContact CD1-CE3 4.28Å; L192-W225 HydrophobicContact CD1-CG 3.85Å; L192-W225 HydrophobicContact CD1-CZ2 4.35Å; L192-W225 HydrophobicContact CG-CD2 4.32Å; L192-W225 HydrophobicContact CG-CZ2 4.01Å
193	P	97.8	Very high	97.5	Very high	89 Å²	89	49.9 Å²	49.9	58%	0.578	25%	0.245	S	C	*	.	S	Bend	trans	-74.2	12.9	176.2	33.6	-37.8	0	0	0	113	Y156 F183	Y156-P193 HydrophobicContact CD1-CG 4.42Å; Y156-P193 HydrophobicContact CE1-CG 3.58Å; Y156-P193 HydrophobicContact CE2-CG 4.35Å; F183-P193 HydrophobicContact CZ-CG 4.24Å
194	V	97.7	Very high	97.5	Very high	42 Å²	42	47.8 Å²	47.8	26%	0.255	24%	0.235	S	C	.	.	S	Bend	trans	-137.9	147.7	178.8	-63.4	0	0	0	0	109.2	V132 Y156 L192 V197	V132-V194 HydrophobicContact CG1-CG2 4.42Å; Y156-V194 HydrophobicContact CD2-CG2 4.18Å; Y156-V194 HydrophobicContact CE2-CB 4.5Å; Y156-V194 HydrophobicContact CE2-CG1 4Å; Y156-V194 HydrophobicContact CE2-CG2 3.64Å; L192-V194 HydrophobicContact CB-CG2 4.2Å; L192-V194 PolarHBondContact O-N 3.08Å; V194-V197 HydrophobicContact CG2-CG1 4.08Å
195	E	97.7	Very high	97.6	Very high	166 Å²	166	45.1 Å²	45.1	78%	0.776	22%	0.224	S	C	*	.	S	Bend	trans	-71.7	-37.8	178.3	-168.9	-173.9	161.9	0	0	112
196	K	98.6	Very high	97.7	Very high	88 Å²	88	45.3 Å²	45.3	38%	0.383	23%	0.226	S	C	.	.			trans	-139.9	155	-176.3	-64	-64.8	178.1	-177.9	0	112.2	K224 W225 K227	K196-K224 PolarHBondContact NZ-O 3.05Å; K196-W225 CarbonylContact C-O 3.52Å; K196-W225 WeakPolarHBondContact CA-O 3.42Å; K196-W225 VanDerWaalsContact CD-O 3.25Å; K196-W225 WeakPolarHBondContact CD-O 3.05Å; K196-K227 HydrophobicContact CB-CB 4.23Å
197	V	98.9	Very high	97.9	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	154	174.2	-57.2	0	0	0	0	110.7	V132 L134 L192 V194 I200 W225 L226 K227	V132-V197 HydrophobicContact CG1-CB 4.38Å; V132-V197 HydrophobicContact CG1-CG1 4.02Å; L134-V197 HydrophobicContact CB-CB 4.31Å; L134-V197 HydrophobicContact CB-CG1 4.14Å; L134-V197 HydrophobicContact CB-CG2 3.91Å; L134-V197 HydrophobicContact CD2-CG2 4.43Å; L192-V197 HydrophobicContact CD1-CG1 4.1Å; V194-V197 HydrophobicContact CG2-CG1 4.08Å; V197-I200 HydrophobicContact CG2-CG1 3.97Å; V197-W225 HydrophobicContact CG2-CB 4.15Å; V197-W225 PolarHBondContact N-O 3.33Å; V197-L226 HydrophobicContact CG2-CD1 4.42Å; V197-K227 WeakPolarHBondContact O-CG 3.25Å; V197-K227 PolarHBondContact O-N 2.84Å; V197-K227 VanDerWaalsContact O-N 3.08Å
198	D	98.9	Very high	98	Very high	33 Å²	33	43.2 Å²	43.2	18%	0.176	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-36.3	-178.8	-64.8	-71.2	0	0	0	112.6	K131 V132 K227 G230 L231	K131-D198 WeakPolarHBondContact CA-OD2 3.34Å; K131-D198 HydrophobicContact CB-CB 3.89Å; K131-D198 HydrophobicContact CD-CB 3.94Å; K131-D198 HydrophobicContact CG-CB 4.21Å; V132-D198 PolarHBondContact N-OD2 3.16Å; V132-D198 WeakPolarHBondContact O-CB 3.31Å; V132-D198 PolarHBondContact O-N 2.81Å; D198-K227 HydrophobicContact CB-CD 4.42Å; D198-K227 WeakPolarHBondContact OD1-CD 3.16Å; D198-K227 VanDerWaalsContact OD1-CE 3.27Å; D198-K227 WeakPolarHBondContact OD1-CE 3.46Å; D198-K227 IonicContact OD1-NZ 2.73Å; D198-K227 PolarHBondContact OD1-NZ 2.63Å; D198-G230 CarbonylContact O-C 3.57Å; D198-G230 WeakPolarHBondContact O-CA 3.18Å; D198-L231 PolarHBondContact O-N 3.09Å
199	I	98.9	Very high	98	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.015	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	135.7	-173	-54.4	176.5	0	0	0	108.8	I127 F128 K131 V132 V133 L134 I201 L231 F233	I127-I199 HydrophobicContact CG2-CD1 3.97Å; F128-I199 HydrophobicContact CD1-CD1 3.79Å; F128-I199 HydrophobicContact CE1-CD1 3.89Å; F128-I199 HydrophobicContact CE1-CG2 4.04Å; F128-I199 HydrophobicContact CG-CD1 4.14Å; F128-I199 HydrophobicContact CZ-CD1 4.31Å; F128-I199 HydrophobicContact CZ-CG2 4.35Å; K131-I199 HydrophobicContact CB-CD1 4.17Å; K131-I199 HydrophobicContact CG-CD1 4.17Å; V132-I199 PolarHBondContact O-N 2.81Å; V133-I199 CarbonylContact C-O 3.58Å; V133-I199 WeakPolarHBondContact CA-O 3.25Å; V133-I199 HydrophobicContact CG1-CB 4.37Å; V133-I199 HydrophobicContact CG1-CG2 4.44Å; V133-I199 HydrophobicContact CG2-CB 4.26Å; V133-I199 HydrophobicContact CG2-CD1 4.48Å; L134-I199 PolarHBondContact N-O 2.99Å; I199-I201 HydrophobicContact CG2-CG2 4.15Å; I199-L231 CarbonylContact C-O 3.57Å; I199-L231 VanDerWaalsContact CA-O 3.28Å; I199-L231 WeakPolarHBondContact CA-O 3.35Å; I199-L231 HydrophobicContact CG1-CB 4.36Å; I199-F233 HydrophobicContact CG2-CD2 3.78Å; I199-F233 HydrophobicContact CG2-CE2 4.18Å
200	I	98.9	Very high	98.1	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.8	164.5	-70.8	169.9	0	0	0	108.5	L134 V136 V197 A221 R222 L226 L231 M232 F233	L134-I200 HydrophobicContact CB-CG1 4.1Å; L134-I200 HydrophobicContact CD2-CD1 4.41Å; L134-I200 HydrophobicContact CD2-CG1 4.16Å; L134-I200 CarbonylContact O-C 3.24Å; L134-I200 WeakPolarHBondContact O-CA 3.31Å; V136-I200 HydrophobicContact CG2-CG2 3.87Å; V197-I200 HydrophobicContact CG2-CG1 3.97Å; I200-A221 HydrophobicContact CD1-CB 4.23Å; I200-R222 HydrophobicContact CD1-CB 4.34Å; I200-L226 HydrophobicContact CD1-CB 3.89Å; I200-L226 HydrophobicContact CD1-CD1 4.09Å; I200-L226 HydrophobicContact CD1-CG 4.42Å; I200-L226 HydrophobicContact CG1-CD1 4.01Å; I200-L231 PolarHBondContact N-O 3.01Å; I200-M232 HydrophobicContact CG2-CE 4.4Å; I200-M232 CarbonylContact O-C 3.57Å; I200-M232 WeakPolarHBondContact O-CA 3.23Å; I200-F233 PolarHBondContact O-N 3.45Å
201	I	98.9	Very high	98.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139.8	167.1	63.7	178.9	0	0	0	107.3	M121 F128 V133 L134 D135 V136 L143 A147 I199 F233	M121-I201 HydrophobicContact CE-CB 4.4Å; M121-I201 HydrophobicContact CE-CD1 4.03Å; M121-I201 HydrophobicContact CE-CG2 4.06Å; F128-I201 HydrophobicContact CE1-CG2 4.15Å; F128-I201 HydrophobicContact CZ-CG2 4.46Å; V133-I201 HydrophobicContact CG1-CD1 3.95Å; V133-I201 HydrophobicContact CG1-CG1 3.94Å; V133-I201 HydrophobicContact CG1-CG2 4.07Å; L134-I201 PolarHBondContact O-N 3.14Å; D135-I201 WeakPolarHBondContact CA-O 3.29Å; D135-I201 HydrophobicContact CB-CD1 3.95Å; D135-I201 HydrophobicContact CB-CG1 3.77Å; V136-I201 PolarHBondContact N-O 2.66Å; L143-I201 HydrophobicContact CB-CD1 3.88Å; A147-I201 HydrophobicContact CB-CD1 3.98Å; I199-I201 HydrophobicContact CG2-CG2 4.15Å; I201-F233 WeakPolarHBondContact CA-O 3.35Å; I201-F233 HydrophobicContact CB-CB 4.37Å; I201-F233 HydrophobicContact CG2-CB 3.68Å; I201-F233 HydrophobicContact CG2-CG 4.33Å
202	S	98.8	Very high	97.8	Very high	3 Å²	3	31 Å²	31	2%	0.021	16%	0.155	C	C	.	.			trans	-160	141.1	174.7	-173.8	0	0	0	0	109.7	Y117 V136 V218 F233 P234	Y117-S202 WeakPolarHBondContact CE1-O 3.16Å; Y117-S202 PolarHBondContact OH-O 2.93Å; V136-S202 PolarHBondContact O-OG 3.22Å; S202-V218 WeakPolarHBondContact OG-CG2 3.37Å; S202-F233 PolarHBondContact N-O 3.4Å; S202-P234 VanDerWaalsContact O-CD 3.29Å; S202-P234 WeakPolarHBondContact O-CD 3.28Å
203	E	98.4	Very high	97.5	Very high	23 Å²	23	31.1 Å²	31.1	11%	0.107	16%	0.157	C	C	.	.			trans	-106.3	102.2	162	-162.6	-79.4	96.3	0	0	106.3	R113 Y117 L143 M205 W353	R113-E203 HydrophobicContact CG-CG 4.41Å; R113-E203 IonicContact CZ-OE2 3.69Å; R113-E203 IonicContact NH1-OE2 3.87Å; R113-E203 PolarHBondContact NH1-OE2 3.21Å; Y117-E203 HydrophobicContact CE1-CB 4.41Å; Y117-E203 HydrophobicContact CE2-CB 4.11Å; Y117-E203 HydrophobicContact CE2-CG 3.72Å; Y117-E203 VanDerWaalsContact OH-CA 3.25Å; Y117-E203 WeakPolarHBondContact OH-CA 3.37Å; L143-E203 HydrophobicContact CD1-CB 3.94Å; E203-M205 HydrophobicContact CG-CE 3.86Å; E203-M205 PolarHBondContact OE1-N 3.19Å; E203-M205 VanDerWaalsContact OE1-N 3.16Å; E203-W353 HydrophobicContact CG-CH2 4.45Å; E203-W353 HydrophobicContact CG-CZ2 4.41Å; E203-W353 WeakPolarHBondContact OE1-CZ2 3.34Å
204	W	98.3	Very high	97.3	Very high	7 Å²	7	29 Å²	29	3%	0.027	14%	0.14	C	C	.	.			trans	-116.9	-3	-169	56.3	-96.2	0	0	0	112.4	G206 L209 M214 L215 V218 A237 I298	W204-G206 PolarHBondContact O-N 3.09Å; W204-L209 HydrophobicContact CH2-CD1 3.59Å; W204-L209 HydrophobicContact CH2-CG 4.15Å; W204-L209 HydrophobicContact CZ3-CD1 3.68Å; W204-L209 HydrophobicContact CZ3-CG 4.09Å; W204-M214 HydrophobicContact CB-CB 4.26Å; W204-M214 HydrophobicContact CB-CG 3.97Å; W204-M214 HydrophobicContact CB-SD 4.34Å; W204-L215 HydrophobicContact CD2-CB 4.32Å; W204-L215 HydrophobicContact CD2-CD1 3.93Å; W204-L215 HydrophobicContact CE3-CB 3.71Å; W204-L215 HydrophobicContact CE3-CD1 4.01Å; W204-L215 HydrophobicContact CE3-CD2 4.44Å; W204-L215 HydrophobicContact CE3-CG 4.25Å; W204-L215 HydrophobicContact CH2-CD1 4.11Å; W204-L215 HydrophobicContact CH2-CD2 4.04Å; W204-L215 HydrophobicContact CZ2-CD1 4.03Å; W204-L215 HydrophobicContact CZ3-CB 3.96Å; W204-L215 HydrophobicContact CZ3-CD1 4.11Å; W204-L215 HydrophobicContact CZ3-CD2 3.9Å; W204-L215 HydrophobicContact CZ3-CG 4.21Å; W204-V218 HydrophobicContact CB-CG2 3.68Å; W204-V218 HydrophobicContact CG-CG2 3.93Å; W204-A237 HydrophobicContact CH2-CB 3.87Å; W204-A237 HydrophobicContact CZ2-CB 4.04Å; W204-I298 HydrophobicContact CZ2-CD1 3.58Å; W204-I298 HydrophobicContact CZ2-CG1 4.33Å
205	M	98.6	Very high	97.4	Very high	8 Å²	8	27.2 Å²	27.2	4%	0.039	13%	0.129	C	C	.	.			trans	-79.8	124.7	-166.1	-61.8	80.3	66.5	0	0	109.1	Y117 E203 L209 P234 F329 I331 F342 W353	Y117-M205 HydrophobicContact CE2-CE 4.2Å; Y117-M205 WeakPolarHBondContact OH-CE 3.46Å; E203-M205 HydrophobicContact CG-CE 3.86Å; E203-M205 PolarHBondContact OE1-N 3.19Å; E203-M205 VanDerWaalsContact OE1-N 3.16Å; M205-L209 HydrophobicContact CB-CD1 4.17Å; M205-L209 HydrophobicContact CG-CD1 3.76Å; M205-P234 HydrophobicContact SD-CG 4.31Å; M205-F329 HydrophobicContact CB-CE2 4.09Å; M205-F329 HydrophobicContact CB-CZ 3.96Å; M205-F329 HydrophobicContact CG-CE2 4.19Å; M205-I331 HydrophobicContact CE-CD1 4.36Å; M205-I331 HydrophobicContact CE-CG1 4.14Å; M205-I331 HydrophobicContact CG-CD1 3.67Å; M205-I331 HydrophobicContact CG-CG1 4.31Å; M205-I331 HydrophobicContact SD-CD1 4.13Å; M205-F342 HydrophobicContact CE-CZ 3.92Å; M205-W353 HydrophobicContact CB-CZ2 3.88Å; M205-W353 HydrophobicContact CE-CH2 3.68Å; M205-W353 HydrophobicContact CE-CZ2 3.79Å; M205-W353 PolarHBondContact O-NE1 3.47Å
206	G	97.7	Very high	97.3	Very high	10 Å²	10	21.5 Å²	21.5	10%	0.103	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-92.4	-178.8	171.1	0	0	0	0	0	112.5	W204 L209 Y211	W204-G206 PolarHBondContact O-N 3.09Å; G206-L209 PolarHBondContact N-O 3.37Å; G206-L209 CarbonylContact O-C 3.23Å; G206-L209 VanDerWaalsContact O-CA 3.25Å; G206-L209 WeakPolarHBondContact O-CA 3.28Å; G206-L209 PolarHBondContact O-N 2.93Å; G206-Y211 WeakPolarHBondContact CA-O 2.95Å
207	Y	98.1	Very high	97.3	Very high	69 Å²	69	18.7 Å²	18.7	27%	0.271	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	144.7	164.3	-57.3	-56.3	0	0	0	110.9	L209 Y211 V278 W353	Y207-L209 PolarHBondContact O-N 3.17Å; Y207-L209 VanDerWaalsContact O-N 3.09Å; Y207-Y211 AromaticContact CD2-CD1 3.79Å; Y207-Y211 HydrophobicContact CD2-CD1 3.79Å; Y207-Y211 HydrophobicContact CD2-CE1 4.16Å; Y207-Y211 WeakPolarHBondContact O-CB 3.38Å; Y207-Y211 PolarHBondContact O-N 2.73Å; Y207-Y211 VanDerWaalsContact O-N 3.13Å; Y207-V278 HydrophobicContact CD1-CB 4.39Å; Y207-V278 HydrophobicContact CD1-CG1 3.5Å; Y207-V278 VanDerWaalsContact CD1-CG1 3.5Å; Y207-V278 HydrophobicContact CD1-CG2 4.07Å; Y207-V278 HydrophobicContact CD2-CG2 4.17Å; Y207-V278 HydrophobicContact CE1-CG1 3.6Å; Y207-V278 HydrophobicContact CG-CG1 4.11Å; Y207-V278 HydrophobicContact CG-CG2 3.79Å; Y207-W353 HydrophobicContact CD1-CB 4.5Å
208	S	97.8	Very high	97.3	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.021	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	48	35.2	-169.6	-164.3	0	0	0	0	113.5	F210 T327 T356	S208-F210 PolarHBondContact O-N 3.34Å; S208-T327 PolarHBondContact OG-OG1 3.41Å; S208-T356 PolarHBondContact N-OG1 3.36Å
209	L	98.5	Very high	97.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	67.6	-43.8	-177.4	-174.2	58.9	0	0	0	115.8	W204 M205 G206 Y207 A237 L239 F329 I331	W204-L209 HydrophobicContact CH2-CD1 3.59Å; W204-L209 HydrophobicContact CH2-CG 4.15Å; W204-L209 HydrophobicContact CZ3-CD1 3.68Å; W204-L209 HydrophobicContact CZ3-CG 4.09Å; M205-L209 HydrophobicContact CB-CD1 4.17Å; M205-L209 HydrophobicContact CG-CD1 3.76Å; G206-L209 PolarHBondContact N-O 3.37Å; G206-L209 CarbonylContact O-C 3.23Å; G206-L209 VanDerWaalsContact O-CA 3.25Å; G206-L209 WeakPolarHBondContact O-CA 3.28Å; G206-L209 PolarHBondContact O-N 2.93Å; Y207-L209 PolarHBondContact O-N 3.17Å; Y207-L209 VanDerWaalsContact O-N 3.09Å; L209-A237 HydrophobicContact CD1-CB 4.06Å; L209-A237 HydrophobicContact CD2-CB 3.93Å; L209-L239 HydrophobicContact CB-CD1 4.04Å; L209-L239 HydrophobicContact CD2-CB 4.16Å; L209-F329 HydrophobicContact CB-CB 4.04Å; L209-F329 HydrophobicContact CB-CD1 3.86Å; L209-F329 HydrophobicContact CB-CG 3.98Å; L209-F329 HydrophobicContact CD1-CB 4.25Å; L209-F329 HydrophobicContact CD1-CD1 4.36Å; L209-F329 HydrophobicContact CD1-CD2 3.83Å; L209-F329 HydrophobicContact CD1-CE2 4.22Å; L209-F329 HydrophobicContact CD1-CG 3.9Å; L209-F329 HydrophobicContact CD2-CB 4.21Å; L209-F329 HydrophobicContact CG-CB 4.41Å; L209-F329 HydrophobicContact CG-CG 4.42Å; L209-I331 HydrophobicContact CD1-CD1 4.06Å
210	F	98.2	Very high	97.3	Very high	12 Å²	12	20.6 Å²	20.6	5%	0.053	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-3.8	-165.9	-58.5	-79.4	0	0	0	115	S208 S213 L215 L239 K294 V296 L306 F308 M378 L388	S208-F210 PolarHBondContact O-N 3.34Å; F210-S213 PolarHBondContact O-N 3.37Å; F210-S213 VanDerWaalsContact O-N 3.12Å; F210-L215 HydrophobicContact CD1-CD2 4.11Å; F210-L215 HydrophobicContact CE1-CD2 3.81Å; F210-L239 HydrophobicContact CD2-CD2 4.42Å; F210-L239 HydrophobicContact CE2-CB 4.5Å; F210-L239 HydrophobicContact CE2-CD2 4.09Å; F210-K294 HydrophobicContact CE2-CG 4.24Å; F210-K294 HydrophobicContact CZ-CG 3.92Å; F210-V296 HydrophobicContact CE1-CG2 3.9Å; F210-V296 HydrophobicContact CZ-CG2 3.67Å; F210-L306 HydrophobicContact CD1-CD2 4.5Å; F210-L306 HydrophobicContact CE1-CD2 4.03Å; F210-F308 HydrophobicContact CE2-CE1 4.2Å; F210-M378 HydrophobicContact CB-CE 3.91Å; F210-M378 HydrophobicContact CB-SD 4.39Å; F210-M378 HydrophobicContact CD2-CE 3Å; F210-M378 HydrophobicContact CD2-SD 3.92Å; F210-M378 HydrophobicContact CE2-CE 3.5Å; F210-M378 VanDerWaalsContact CE2-CE 3.5Å; F210-M378 HydrophobicContact CG-CE 3.59Å; F210-M378 HydrophobicContact CZ-CE 4.45Å; F210-L388 HydrophobicContact CB-CD1 4.11Å
211	Y	95.9	Very high	97.3	Very high	36 Å²	36	20.5 Å²	20.5	14%	0.141	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-59.3	150.2	178.7	-178.7	-112.3	0	0	0	111	G206 Y207 S213 M411 R412	G206-Y211 WeakPolarHBondContact CA-O 2.95Å; Y207-Y211 AromaticContact CD2-CD1 3.79Å; Y207-Y211 HydrophobicContact CD2-CD1 3.79Å; Y207-Y211 HydrophobicContact CD2-CE1 4.16Å; Y207-Y211 WeakPolarHBondContact O-CB 3.38Å; Y207-Y211 PolarHBondContact O-N 2.73Å; Y207-Y211 VanDerWaalsContact O-N 3.13Å; Y211-S213 PolarHBondContact O-N 3.17Å; Y211-S213 VanDerWaalsContact O-N 3.14Å; Y211-M411 HydrophobicContact CD1-SD 4.31Å; Y211-M411 HydrophobicContact CD2-CB 4.23Å; Y211-M411 HydrophobicContact CD2-CG 3.53Å; Y211-M411 HydrophobicContact CD2-SD 3.6Å; Y211-M411 VanDerWaalsContact CD2-SD 3.6Å; Y211-M411 HydrophobicContact CE2-CB 4.46Å; Y211-M411 HydrophobicContact CE2-CG 3.74Å; Y211-M411 HydrophobicContact CE2-SD 4.34Å; Y211-M411 HydrophobicContact CG-CG 4.09Å; Y211-M411 HydrophobicContact CG-SD 3.58Å; Y211-M411 VanDerWaalsContact CG-SD 3.58Å; Y211-R412 PolarHBondContact OH-OXT 2.85Å
212	E	89.8	Confident	97.3	Very high	40 Å²	40	21.6 Å²	21.6	19%	0.187	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	66.8	-6.9	-169	-51.1	-163.9	-177.1	0	0	116.8	Y98 M214 R386	Y98-E212 WeakPolarHBondContact CE2-OE2 3.33Å; Y98-E212 PolarHBondContact OH-OE1 2.84Å; Y98-E212 VanDerWaalsContact OH-OE1 3.14Å; Y98-E212 PolarHBondContact OH-OE2 2.99Å; E212-M214 VanDerWaalsContact C-N 3.25Å; E212-M214 PolarHBondContact O-N 2.92Å; E212-R386 WeakPolarHBondContact CA-O 3.49Å; E212-R386 PolarHBondContact N-O 2.8Å; E212-R386 VanDerWaalsContact N-O 3.1Å; E212-R386 PolarHBondContact O-NE 3.49Å; E212-R386 IonicContact OE2-CZ 3.36Å; E212-R386 IonicContact OE2-NH2 3.7Å; E212-R386 PolarHBondContact OE2-NH2 3.28Å
213	S	90.7	Very high	97.3	Very high	17 Å²	17	26.1 Å²	26.1	12%	0.119	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	59.5	25.4	170.6	-67.3	0	0	0	0	115.7	F210 Y211 L215 N216 I385	F210-S213 PolarHBondContact O-N 3.37Å; F210-S213 VanDerWaalsContact O-N 3.12Å; Y211-S213 PolarHBondContact O-N 3.17Å; Y211-S213 VanDerWaalsContact O-N 3.14Å; S213-L215 VanDerWaalsContact C-N 3.26Å; S213-L215 PolarHBondContact O-N 2.77Å; S213-N216 WeakPolarHBondContact O-CB 3.28Å; S213-N216 PolarHBondContact O-N 2.99Å; S213-N216 PolarHBondContact O-ND2 2.61Å; S213-I385 VanDerWaalsContact CB-O 3.3Å; S213-I385 WeakPolarHBondContact CB-O 3.32Å; S213-I385 PolarHBondContact OG-O 3.09Å
214	M	94.9	Very high	97.3	Very high	45 Å²	45	27.6 Å²	27.6	22%	0.222	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.5	-177	-173.4	170.7	167.6	0	0	113.8	V136 W204 E212 N216 T217 V218	V136-M214 VanDerWaalsContact O-CE 3.31Å; V136-M214 WeakPolarHBondContact O-CE 3.35Å; W204-M214 HydrophobicContact CB-CB 4.26Å; W204-M214 HydrophobicContact CB-CG 3.97Å; W204-M214 HydrophobicContact CB-SD 4.34Å; E212-M214 VanDerWaalsContact C-N 3.25Å; E212-M214 PolarHBondContact O-N 2.92Å; M214-N216 PolarHBondContact O-N 2.81Å; M214-T217 WeakPolarHBondContact O-CB 3.44Å; M214-T217 PolarHBondContact O-N 3.43Å; M214-V218 PolarHBondContact O-N 3.27Å
215	L	98	Very high	97.3	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.021	13%	0.134	C	C	.	.	H	α-helix	trans	-57.5	-31.3	173.5	-176.8	57.5	0	0	0	112.4	W204 F210 S213 T217 V218 I219 V296 I298 L306	W204-L215 HydrophobicContact CD2-CB 4.32Å; W204-L215 HydrophobicContact CD2-CD1 3.93Å; W204-L215 HydrophobicContact CE3-CB 3.71Å; W204-L215 HydrophobicContact CE3-CD1 4.01Å; W204-L215 HydrophobicContact CE3-CD2 4.44Å; W204-L215 HydrophobicContact CE3-CG 4.25Å; W204-L215 HydrophobicContact CH2-CD1 4.11Å; W204-L215 HydrophobicContact CH2-CD2 4.04Å; W204-L215 HydrophobicContact CZ2-CD1 4.03Å; W204-L215 HydrophobicContact CZ3-CB 3.96Å; W204-L215 HydrophobicContact CZ3-CD1 4.11Å; W204-L215 HydrophobicContact CZ3-CD2 3.9Å; W204-L215 HydrophobicContact CZ3-CG 4.21Å; F210-L215 HydrophobicContact CD1-CD2 4.11Å; F210-L215 HydrophobicContact CE1-CD2 3.81Å; S213-L215 VanDerWaalsContact C-N 3.26Å; S213-L215 PolarHBondContact O-N 2.77Å; L215-T217 VanDerWaalsContact C-N 3.29Å; L215-T217 PolarHBondContact O-N 2.62Å; L215-V218 HydrophobicContact CD1-CB 4.37Å; L215-V218 PolarHBondContact O-N 2.58Å; L215-I219 HydrophobicContact CG-CD1 4.13Å; L215-I219 HydrophobicContact CG-CG1 4.45Å; L215-I219 VanDerWaalsContact O-CG1 3.29Å; L215-I219 WeakPolarHBondContact O-CG1 3.16Å; L215-I219 PolarHBondContact O-N 3.36Å; L215-V296 HydrophobicContact CD2-CG1 4.12Å; L215-I298 HydrophobicContact CD1-CG2 4.22Å; L215-L306 HydrophobicContact CB-CD1 4.27Å; L215-L306 HydrophobicContact CD2-CD1 3.92Å; L215-L306 HydrophobicContact CD2-CD2 3.6Å; L215-L306 HydrophobicContact CD2-CG 4.44Å; L215-L306 HydrophobicContact CG-CD1 4.1Å
216	N	97.4	Very high	97.3	Very high	47 Å²	47	28 Å²	28	25%	0.251	14%	0.137	S	C	.	.	H	α-helix	trans	-60.4	-40.1	174.6	-69.7	-47.2	0	0	0	112	S213 M214 I219 F220 L306	S213-N216 WeakPolarHBondContact O-CB 3.28Å; S213-N216 PolarHBondContact O-N 2.99Å; S213-N216 PolarHBondContact O-ND2 2.61Å; M214-N216 PolarHBondContact O-N 2.81Å; N216-I219 PolarHBondContact O-N 2.85Å; N216-F220 PolarHBondContact O-N 2.95Å; N216-L306 WeakPolarHBondContact OD1-CD1 3.25Å
217	T	98.2	Very high	97.4	Very high	28 Å²	28	31 Å²	31	17%	0.172	15%	0.147	C	C	.	.	H	α-helix	trans	-69.2	-36.2	177.5	-63.1	0	0	0	0	111.6	V136 V187 E188 M214 L215 F220 A221	V136-T217 HydrophobicContact CG1-CG2 3.88Å; V187-T217 HydrophobicContact CB-CG2 3.4Å; V187-T217 HydrophobicContact CG1-CG2 3.67Å; V187-T217 HydrophobicContact CG2-CG2 3.49Å; V187-T217 VanDerWaalsContact CG2-CG2 3.49Å; E188-T217 WeakPolarHBondContact OE1-CB 3.4Å; E188-T217 WeakPolarHBondContact OE1-CG2 3.45Å; E188-T217 PolarHBondContact OE1-OG1 2.76Å; M214-T217 WeakPolarHBondContact O-CB 3.44Å; M214-T217 PolarHBondContact O-N 3.43Å; L215-T217 VanDerWaalsContact C-N 3.29Å; L215-T217 PolarHBondContact O-N 2.62Å; T217-F220 PolarHBondContact O-N 3.31Å; T217-A221 WeakPolarHBondContact O-CB 3.14Å; T217-A221 PolarHBondContact O-N 3.47Å
218	V	98.7	Very high	97.4	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	18%	0.175	C	C	.	.	H	α-helix	trans	-66.1	-41.6	172.8	175.8	0	0	0	0	111.4	V136 S202 W204 M214 L215 A221 R222 M232 I298	V136-V218 HydrophobicContact CG1-CG2 4.24Å; S202-V218 WeakPolarHBondContact OG-CG2 3.37Å; W204-V218 HydrophobicContact CB-CG2 3.68Å; W204-V218 HydrophobicContact CG-CG2 3.93Å; M214-V218 PolarHBondContact O-N 3.27Å; L215-V218 HydrophobicContact CD1-CB 4.37Å; L215-V218 PolarHBondContact O-N 2.58Å; V218-A221 PolarHBondContact O-N 3.02Å; V218-R222 WeakPolarHBondContact O-CB 3.32Å; V218-R222 PolarHBondContact O-N 2.89Å; V218-M232 HydrophobicContact CG1-CE 3.49Å; V218-M232 VanDerWaalsContact CG1-CE 3.49Å; V218-I298 HydrophobicContact CG1-CG2 4.1Å
219	I	98.8	Very high	97.4	Very high	4 Å²	4	36 Å²	36	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-60.3	-46.3	174.1	-70.3	165.2	0	0	0	110.5	L215 N216 A221 R222 D223 V301 P303 L306	L215-I219 HydrophobicContact CG-CD1 4.13Å; L215-I219 HydrophobicContact CG-CG1 4.45Å; L215-I219 VanDerWaalsContact O-CG1 3.29Å; L215-I219 WeakPolarHBondContact O-CG1 3.16Å; L215-I219 PolarHBondContact O-N 3.36Å; N216-I219 PolarHBondContact O-N 2.85Å; I219-A221 PolarHBondContact O-N 2.9Å; I219-R222 WeakPolarHBondContact O-CB 3.25Å; I219-R222 PolarHBondContact O-N 3Å; I219-D223 PolarHBondContact O-N 3.4Å; I219-V301 HydrophobicContact CD1-CG1 3.96Å; I219-V301 HydrophobicContact CG1-CG1 4.1Å; I219-P303 HydrophobicContact CD1-CG 4.42Å; I219-P303 HydrophobicContact CG2-CG 4.12Å; I219-L306 HydrophobicContact CD1-CD1 4.09Å
220	F	98.8	Very high	97.4	Very high	73 Å²	73	36.1 Å²	36.1	32%	0.32	21%	0.212	S	C	.	.	H	α-helix	trans	-57.8	-48.2	175.7	178.2	-85.3	0	0	0	111.7	V187 E188 N216 T217 R222 D223 K224 W225	V187-F220 HydrophobicContact CG1-CD1 4.25Å; E188-F220 HydrophobicContact CB-CE1 4.28Å; E188-F220 HydrophobicContact CB-CE2 4.42Å; E188-F220 HydrophobicContact CB-CZ 4.17Å; E188-F220 HydrophobicContact CG-CD1 4.12Å; E188-F220 HydrophobicContact CG-CD2 4.17Å; E188-F220 HydrophobicContact CG-CE1 4.29Å; E188-F220 HydrophobicContact CG-CE2 4.31Å; E188-F220 HydrophobicContact CG-CG 4.06Å; E188-F220 HydrophobicContact CG-CZ 4.37Å; N216-F220 PolarHBondContact O-N 2.95Å; T217-F220 PolarHBondContact O-N 3.31Å; F220-R222 VanDerWaalsContact C-N 3.33Å; F220-R222 PolarHBondContact O-N 2.89Å; F220-D223 PolarHBondContact O-N 3.04Å; F220-K224 HydrophobicContact CE1-CB 4.29Å; F220-K224 HydrophobicContact CE1-CD 3.53Å; F220-K224 HydrophobicContact CZ-CD 3.74Å; F220-K224 VanDerWaalsContact O-CB 3.29Å; F220-K224 WeakPolarHBondContact O-CB 3.29Å; F220-K224 PolarHBondContact O-N 3.13Å; F220-W225 HydrophobicContact CE1-CH2 4.49Å; F220-W225 HydrophobicContact CE1-CZ3 4.44Å
221	A	98.8	Very high	97.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63	-39.1	179.3	0	0	0	0	0	112.3	L134 V136 V187 I200 T217 V218 I219 W225	L134-A221 HydrophobicContact CD2-CB 4.16Å; V136-A221 HydrophobicContact CG2-CB 3.71Å; V187-A221 HydrophobicContact CG1-CB 4.08Å; I200-A221 HydrophobicContact CD1-CB 4.23Å; T217-A221 WeakPolarHBondContact O-CB 3.14Å; T217-A221 PolarHBondContact O-N 3.47Å; V218-A221 PolarHBondContact O-N 3.02Å; I219-A221 PolarHBondContact O-N 2.9Å; A221-W225 HydrophobicContact CB-CE3 4.02Å; A221-W225 HydrophobicContact CB-CZ3 4.25Å; A221-W225 PolarHBondContact O-N 3.27Å
222	R	98.8	Very high	97.6	Very high	23 Å²	23	35.9 Å²	35.9	9%	0.087	21%	0.213	C	C	.	.	H	α-helix	trans	-58.1	-54	173.7	179	-161.7	70.7	-162.1	1	110.6	I200 V218 I219 F220 K224 L226 M232 I298 Y299 V301	I200-R222 HydrophobicContact CD1-CB 4.34Å; V218-R222 WeakPolarHBondContact O-CB 3.32Å; V218-R222 PolarHBondContact O-N 2.89Å; I219-R222 WeakPolarHBondContact O-CB 3.25Å; I219-R222 PolarHBondContact O-N 3Å; F220-R222 VanDerWaalsContact C-N 3.33Å; F220-R222 PolarHBondContact O-N 2.89Å; R222-K224 PolarHBondContact O-N 3.36Å; R222-L226 HydrophobicContact CG-CB 4.26Å; R222-L226 HydrophobicContact CG-CD2 3.9Å; R222-L226 WeakPolarHBondContact O-CB 3.48Å; R222-L226 PolarHBondContact O-N 3.14Å; R222-M232 HydrophobicContact CB-CE 3.99Å; R222-M232 HydrophobicContact CB-SD 4.22Å; R222-M232 HydrophobicContact CG-CE 4.24Å; R222-M232 HydrophobicContact CG-SD 3.8Å; R222-I298 VanDerWaalsContact CD-O 3.3Å; R222-I298 WeakPolarHBondContact CD-O 3.29Å; R222-I298 PolarHBondContact NH1-O 3.23Å; R222-Y299 PolarHBondContact NH1-O 3.27Å; R222-V301 PolarHBondContact NH1-O 3.45Å; R222-V301 PolarHBondContact NH2-O 3.23Å; R222-V301 VanDerWaalsContact NH2-O 3.1Å
223	D	98.7	Very high	98	Very high	98 Å²	98	34.2 Å²	34.2	52%	0.524	21%	0.205	S	C	.	.	H	α-helix	trans	-67.6	-38.8	-174.3	-65.9	-11	0	0	0	111.5	I219 F220	I219-D223 PolarHBondContact O-N 3.4Å; F220-D223 PolarHBondContact O-N 3.04Å
224	K	98.6	Very high	98.4	Very high	54 Å²	54	33.5 Å²	33.5	24%	0.235	20%	0.2	C	C	.	.	H	α-helix	trans	-72.6	-51.7	179.3	-170.8	173.9	177.5	-176.7	0	112.1	V190 E191 K196 F220 R222	V190-K224 PolarHBondContact O-NZ 2.69Å; V190-K224 VanDerWaalsContact O-NZ 3.17Å; E191-K224 VanDerWaalsContact CD-NZ 3.32Å; E191-K224 IonicContact OE1-NZ 3.61Å; E191-K224 PolarHBondContact OE1-NZ 3.19Å; E191-K224 IonicContact OE2-NZ 2.84Å; E191-K224 PolarHBondContact OE2-NZ 3.38Å; K196-K224 PolarHBondContact NZ-O 3.05Å; F220-K224 HydrophobicContact CE1-CB 4.29Å; F220-K224 HydrophobicContact CE1-CD 3.53Å; F220-K224 HydrophobicContact CZ-CD 3.74Å; F220-K224 VanDerWaalsContact O-CB 3.29Å; F220-K224 WeakPolarHBondContact O-CB 3.29Å; F220-K224 PolarHBondContact O-N 3.13Å; R222-K224 PolarHBondContact O-N 3.36Å
225	W	98.8	Very high	98.6	Very high	5 Å²	5	31.5 Å²	31.5	2%	0.019	19%	0.19	C	C	.	.	H	α-helix	trans	-117.4	-20.4	-164.4	-65.2	-59.6	0	0	0	115.8	L134 I158 V187 V190 L192 K196 V197 F220 A221 K227	L134-W225 HydrophobicContact CD2-CB 4.39Å; L134-W225 HydrophobicContact CD2-CD2 4.37Å; L134-W225 HydrophobicContact CD2-CE3 3.7Å; L134-W225 HydrophobicContact CD2-CZ3 4.33Å; I158-W225 HydrophobicContact CD1-CH2 4.04Å; I158-W225 HydrophobicContact CD1-CZ3 3.98Å; V187-W225 HydrophobicContact CG1-CH2 4.39Å; V187-W225 HydrophobicContact CG1-CZ3 3.75Å; V187-W225 VanDerWaalsContact O-CH2 3.23Å; V187-W225 WeakPolarHBondContact O-CH2 3.47Å; V190-W225 HydrophobicContact CG2-CH2 4.11Å; V190-W225 WeakPolarHBondContact O-CZ2 3.39Å; L192-W225 HydrophobicContact CD1-CB 4.46Å; L192-W225 HydrophobicContact CD1-CD2 3.76Å; L192-W225 HydrophobicContact CD1-CE3 4.28Å; L192-W225 HydrophobicContact CD1-CG 3.85Å; L192-W225 HydrophobicContact CD1-CZ2 4.35Å; L192-W225 HydrophobicContact CG-CD2 4.32Å; L192-W225 HydrophobicContact CG-CZ2 4.01Å; K196-W225 CarbonylContact C-O 3.52Å; K196-W225 WeakPolarHBondContact CA-O 3.42Å; K196-W225 VanDerWaalsContact CD-O 3.25Å; K196-W225 WeakPolarHBondContact CD-O 3.05Å; V197-W225 HydrophobicContact CG2-CB 4.15Å; V197-W225 PolarHBondContact N-O 3.33Å; F220-W225 HydrophobicContact CE1-CH2 4.49Å; F220-W225 HydrophobicContact CE1-CZ3 4.44Å; A221-W225 HydrophobicContact CB-CE3 4.02Å; A221-W225 HydrophobicContact CB-CZ3 4.25Å; A221-W225 PolarHBondContact O-N 3.27Å; W225-K227 PolarHBondContact O-N 3.45Å
226	L	98.9	Very high	98.6	Very high	19 Å²	19	35 Å²	35	10%	0.099	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	130.7	-179.3	-164.9	65.7	0	0	0	110.1	V197 I200 R222 M232	V197-L226 HydrophobicContact CG2-CD1 4.42Å; I200-L226 HydrophobicContact CD1-CB 3.89Å; I200-L226 HydrophobicContact CD1-CD1 4.09Å; I200-L226 HydrophobicContact CD1-CG 4.42Å; I200-L226 HydrophobicContact CG1-CD1 4.01Å; R222-L226 HydrophobicContact CG-CB 4.26Å; R222-L226 HydrophobicContact CG-CD2 3.9Å; R222-L226 WeakPolarHBondContact O-CB 3.48Å; R222-L226 PolarHBondContact O-N 3.14Å; L226-M232 HydrophobicContact CD2-CG 3.78Å; L226-M232 HydrophobicContact CD2-SD 4.12Å
227	K	98.6	Very high	98.7	Very high	71 Å²	71	32.8 Å²	32.8	31%	0.309	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	159.6	171.9	70.3	179.1	-173.1	175.8	0	111.1	K196 V197 D198 W225 G229 G230	K196-K227 HydrophobicContact CB-CB 4.23Å; V197-K227 WeakPolarHBondContact O-CG 3.25Å; V197-K227 PolarHBondContact O-N 2.84Å; V197-K227 VanDerWaalsContact O-N 3.08Å; D198-K227 HydrophobicContact CB-CD 4.42Å; D198-K227 WeakPolarHBondContact OD1-CD 3.16Å; D198-K227 VanDerWaalsContact OD1-CE 3.27Å; D198-K227 WeakPolarHBondContact OD1-CE 3.46Å; D198-K227 IonicContact OD1-NZ 2.73Å; D198-K227 PolarHBondContact OD1-NZ 2.63Å; W225-K227 PolarHBondContact O-N 3.45Å; K227-G229 PolarHBondContact O-N 2.77Å; K227-G230 PolarHBondContact O-N 3.29Å
228	A	98.2	Very high	98.7	Very high	104 Å²	104	31.8 Å²	31.8	86%	0.86	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	127.7	167	0	0	0	0	0	110.5	G230	A228-G230 PolarHBondContact O-N 3.13Å
229	G	97.9	Very high	98.7	Very high	73 Å²	73	31.7 Å²	31.7	75%	0.753	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	70.5	12.7	-173.9	0	0	0	0	0	114.7	K227	K227-G229 PolarHBondContact O-N 2.77Å
230	G	98.7	Very high	98.7	Very high	4 Å²	4	33.8 Å²	33.8	4%	0.041	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	163.2	168.1	0	0	0	0	0	111.7	D198 K227 A228 Y299	D198-G230 CarbonylContact O-C 3.57Å; D198-G230 WeakPolarHBondContact O-CA 3.18Å; K227-G230 PolarHBondContact O-N 3.29Å; A228-G230 PolarHBondContact O-N 3.13Å; G230-Y299 WeakPolarHBondContact O-CE1 3.29Å
231	L	98.9	Very high	98.7	Very high	40 Å²	40	30.3 Å²	30.3	21%	0.209	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	152.1	-173.8	-50.5	-179.6	0	0	0	112.2	I127 D198 I199 I200 F233 Y299 K335	I127-L231 HydrophobicContact CG2-CD1 3.3Å; D198-L231 PolarHBondContact O-N 3.09Å; I199-L231 CarbonylContact C-O 3.57Å; I199-L231 VanDerWaalsContact CA-O 3.28Å; I199-L231 WeakPolarHBondContact CA-O 3.35Å; I199-L231 HydrophobicContact CG1-CB 4.36Å; I200-L231 PolarHBondContact N-O 3.01Å; L231-F233 HydrophobicContact CB-CD2 4.39Å; L231-F233 HydrophobicContact CB-CE2 3.92Å; L231-F233 HydrophobicContact CD1-CE2 4.36Å; L231-Y299 WeakPolarHBondContact CA-OH 3.42Å; L231-K335 HydrophobicContact CD2-CD 4.38Å; L231-K335 HydrophobicContact CD2-CG 4.12Å
232	M	98.9	Very high	98.7	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.015	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.6	178.1	-60.8	-171.8	76.1	0	0	109.6	I200 V218 R222 L226 P234 D235 I298 Y299	I200-M232 HydrophobicContact CG2-CE 4.4Å; I200-M232 CarbonylContact O-C 3.57Å; I200-M232 WeakPolarHBondContact O-CA 3.23Å; V218-M232 HydrophobicContact CG1-CE 3.49Å; V218-M232 VanDerWaalsContact CG1-CE 3.49Å; R222-M232 HydrophobicContact CB-CE 3.99Å; R222-M232 HydrophobicContact CB-SD 4.22Å; R222-M232 HydrophobicContact CG-CE 4.24Å; R222-M232 HydrophobicContact CG-SD 3.8Å; L226-M232 HydrophobicContact CD2-CG 3.78Å; L226-M232 HydrophobicContact CD2-SD 4.12Å; M232-P234 CarbonylContact C-O 3.5Å; M232-P234 CarbonylContact O-C 3.56Å; M232-D235 HydrophobicContact CB-CB 4.23Å; M232-D235 WeakPolarHBondContact O-CB 3.4Å; M232-I298 HydrophobicContact CE-CB 4.36Å; M232-I298 HydrophobicContact CE-CG2 3.35Å; M232-I298 HydrophobicContact SD-CB 4.26Å; M232-I298 HydrophobicContact SD-CG2 3.81Å; M232-Y299 HydrophobicContact CB-CE1 4.06Å; M232-Y299 HydrophobicContact CG-CD1 4.05Å; M232-Y299 HydrophobicContact CG-CE1 3.69Å; M232-Y299 PolarHBondContact N-OH 3.03Å; M232-Y299 VanDerWaalsContact N-OH 3.14Å; M232-Y299 HydrophobicContact SD-CD1 4.03Å; M232-Y299 HydrophobicContact SD-CE1 4.28Å
233	F	98.8	Very high	98.7	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.018	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	106.6	-177.4	-81.4	-109.2	0	0	0	109.9	I127 F128 I199 I200 I201 S202 L231 F333 K335	I127-F233 HydrophobicContact CD1-CZ 4.38Å; I127-F233 HydrophobicContact CG2-CE2 4.47Å; I127-F233 HydrophobicContact CG2-CZ 4.34Å; F128-F233 HydrophobicContact CE2-CD1 4.37Å; F128-F233 AromaticContact CE2-CE1 3.81Å; F128-F233 HydrophobicContact CE2-CE1 3.81Å; F128-F233 HydrophobicContact CE2-CE2 4.3Å; F128-F233 AromaticContact CE2-CZ 3.78Å; F128-F233 HydrophobicContact CE2-CZ 3.78Å; F128-F233 AromaticContact CZ-CD1 3.95Å; F128-F233 HydrophobicContact CZ-CD1 3.95Å; F128-F233 HydrophobicContact CZ-CD2 4.13Å; F128-F233 AromaticContact CZ-CE1 3.83Å; F128-F233 HydrophobicContact CZ-CE1 3.83Å; F128-F233 HydrophobicContact CZ-CE2 4.02Å; F128-F233 HydrophobicContact CZ-CG 4.14Å; F128-F233 AromaticContact CZ-CZ 3.88Å; F128-F233 HydrophobicContact CZ-CZ 3.88Å; I199-F233 HydrophobicContact CG2-CD2 3.78Å; I199-F233 HydrophobicContact CG2-CE2 4.18Å; I200-F233 PolarHBondContact O-N 3.45Å; I201-F233 WeakPolarHBondContact CA-O 3.35Å; I201-F233 HydrophobicContact CB-CB 4.37Å; I201-F233 HydrophobicContact CG2-CB 3.68Å; I201-F233 HydrophobicContact CG2-CG 4.33Å; S202-F233 PolarHBondContact N-O 3.4Å; L231-F233 HydrophobicContact CB-CD2 4.39Å; L231-F233 HydrophobicContact CB-CE2 3.92Å; L231-F233 HydrophobicContact CD1-CE2 4.36Å; F233-F333 HydrophobicContact CB-CD1 4.01Å; F233-F333 HydrophobicContact CB-CE1 4.01Å; F233-F333 AromaticContact CD1-CD1 3.56Å; F233-F333 HydrophobicContact CD1-CD1 3.56Å; F233-F333 HydrophobicContact CD1-CE1 4.15Å; F233-F333 HydrophobicContact CE1-CD1 4.38Å; F233-F333 HydrophobicContact CG-CD1 4.1Å; F233-K335 HydrophobicContact CZ-CB 4.41Å
234	P	98.8	Very high	98.7	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.019	15%	0.15	C	C	.	.	S	Bend	cis	-68.7	176	-7.9	32.6	-37.7	0	0	0	112	Y117 S202 M205 M232 I298 I331 E332 F333	Y117-P234 WeakPolarHBondContact OH-CD 3.29Å; S202-P234 VanDerWaalsContact O-CD 3.29Å; S202-P234 WeakPolarHBondContact O-CD 3.28Å; M205-P234 HydrophobicContact SD-CG 4.31Å; M232-P234 CarbonylContact C-O 3.5Å; M232-P234 CarbonylContact O-C 3.56Å; P234-I298 HydrophobicContact CG-CD1 4.36Å; P234-I298 WeakPolarHBondContact O-CD1 3.4Å; P234-I331 HydrophobicContact CB-CG2 3.41Å; P234-I331 VanDerWaalsContact CB-CG2 3.41Å; P234-I331 HydrophobicContact CG-CG2 3.6Å; P234-E332 VanDerWaalsContact CB-O 3.28Å; P234-E332 WeakPolarHBondContact CB-O 3.39Å; P234-F333 HydrophobicContact CB-CD1 4.03Å; P234-F333 HydrophobicContact CB-CD2 4.38Å; P234-F333 HydrophobicContact CB-CE1 3.83Å; P234-F333 HydrophobicContact CB-CE2 4.17Å; P234-F333 HydrophobicContact CB-CG 4.31Å; P234-F333 HydrophobicContact CB-CZ 3.9Å; P234-F333 HydrophobicContact CG-CZ 4.45Å
235	D	98.8	Very high	98.8	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.011	15%	0.148	C	C	.	.			trans	-126.4	-9.8	177.5	57.6	-0	0	0	0	114.2	M232 I298 Y299 E332 T334 K335	M232-D235 HydrophobicContact CB-CB 4.23Å; M232-D235 WeakPolarHBondContact O-CB 3.4Å; D235-I298 WeakPolarHBondContact O-CG1 3.29Å; D235-I298 PolarHBondContact O-N 2.89Å; D235-Y299 HydrophobicContact CB-CD2 4.14Å; D235-Y299 HydrophobicContact CB-CE2 3.41Å; D235-Y299 VanDerWaalsContact CB-CE2 3.41Å; D235-E332 PolarHBondContact N-O 2.91Å; D235-E332 VanDerWaalsContact OD1-O 3.1Å; D235-T334 VanDerWaalsContact CG-OG1 3.28Å; D235-T334 WeakPolarHBondContact OD1-CG2 3.21Å; D235-T334 PolarHBondContact OD1-N 3.24Å; D235-T334 PolarHBondContact OD1-OG1 3.42Å; D235-T334 PolarHBondContact OD2-N 2.73Å; D235-T334 PolarHBondContact OD2-OG1 2.81Å; D235-K335 WeakPolarHBondContact OD2-CE 3.46Å; D235-K335 WeakPolarHBondContact OD2-CG 3.3Å
236	R	98.9	Very high	98.7	Very high	79 Å²	79	24.4 Å²	24.4	30%	0.298	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	137.3	175.8	-171.6	169.4	77.3	-166.7	9	112.1	E295 V296 E332 T334	R236-E295 WeakPolarHBondContact CD-OE1 3.27Å; R236-V296 WeakPolarHBondContact CA-O 3.1Å; R236-E332 HydrophobicContact CB-CB 4.24Å; R236-E332 IonicContact CZ-OE1 2.87Å; R236-E332 IonicContact CZ-OE2 3.28Å; R236-E332 PolarHBondContact N-O 2.98Å; R236-E332 IonicContact NE-OE1 2.62Å; R236-E332 PolarHBondContact NE-OE1 3.39Å; R236-E332 IonicContact NE-OE2 3.69Å; R236-E332 IonicContact NH2-OE1 3.08Å; R236-E332 PolarHBondContact NH2-OE1 3.03Å; R236-E332 IonicContact NH2-OE2 4Å; R236-E332 PolarHBondContact NH2-OE2 3.24Å; R236-E332 PolarHBondContact O-N 2.87Å; R236-T334 HydrophobicContact CB-CG2 4.03Å
237	A	98.9	Very high	98.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	149.6	172.9	0	0	0	0	0	111.1	W204 L209 V296 N330 I331	W204-A237 HydrophobicContact CH2-CB 3.87Å; W204-A237 HydrophobicContact CZ2-CB 4.04Å; L209-A237 HydrophobicContact CD1-CB 4.06Å; L209-A237 HydrophobicContact CD2-CB 3.93Å; A237-V296 HydrophobicContact CB-CB 4.3Å; A237-V296 PolarHBondContact N-O 3.5Å; A237-V296 PolarHBondContact O-N 3.22Å; A237-N330 WeakPolarHBondContact CA-O 3.47Å; A237-I331 HydrophobicContact CB-CD1 3.6Å
238	S	98.8	Very high	98.7	Very high	6 Å²	6	33 Å²	33	4%	0.042	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	123.9	179.9	-56.2	0	0	0	0	110.5	K294 F329 N330	S238-K294 CarbonylContact C-O 3.35Å; S238-K294 VanDerWaalsContact CA-O 3.3Å; S238-K294 WeakPolarHBondContact CA-O 3.11Å; S238-F329 CarbonylContact O-C 3.53Å; S238-F329 WeakPolarHBondContact O-CA 3.24Å; S238-F329 WeakPolarHBondContact O-CB 3.4Å; S238-N330 PolarHBondContact N-O 2.64Å; S238-N330 PolarHBondContact O-N 2.68Å
239	L	98.9	Very high	98.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132.7	176.4	-173.6	70.7	0	0	0	109.8	L209 F210 V293 K294 F308 F329	L209-L239 HydrophobicContact CB-CD1 4.04Å; L209-L239 HydrophobicContact CD2-CB 4.16Å; F210-L239 HydrophobicContact CD2-CD2 4.42Å; F210-L239 HydrophobicContact CE2-CB 4.5Å; F210-L239 HydrophobicContact CE2-CD2 4.09Å; L239-V293 HydrophobicContact CB-CG2 4.09Å; L239-V293 HydrophobicContact CD2-CG2 3.88Å; L239-V293 HydrophobicContact CG-CG2 3.81Å; L239-V293 VanDerWaalsContact O-CG2 3.28Å; L239-V293 WeakPolarHBondContact O-CG2 3.41Å; L239-V293 PolarHBondContact O-N 2.73Å; L239-K294 HydrophobicContact CB-CB 4Å; L239-K294 PolarHBondContact N-O 3.29Å; L239-K294 PolarHBondContact O-N 3.36Å; L239-F308 HydrophobicContact CD2-CZ 4.39Å; L239-F329 HydrophobicContact CD1-CB 4.21Å
240	Y	98.9	Very high	98.6	Very high	49 Å²	49	28.1 Å²	28.1	19%	0.192	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	157.5	179.6	-64.5	-94.4	0	0	0	111.1	C291 L292 T327 Y328 N330	Y240-C291 CarbonylContact C-O 3.54Å; Y240-C291 WeakPolarHBondContact CA-O 3.48Å; Y240-L292 HydrophobicContact CD1-CB 4.08Å; Y240-L292 HydrophobicContact CD1-CD1 4.37Å; Y240-L292 HydrophobicContact CE1-CB 3.8Å; Y240-L292 HydrophobicContact CE1-CD1 3.92Å; Y240-L292 HydrophobicContact CE1-CG 4.46Å; Y240-L292 HydrophobicContact CE2-CD1 4.23Å; Y240-T327 VanDerWaalsContact O-CA 3.24Å; Y240-T327 WeakPolarHBondContact O-CA 3.38Å; Y240-T327 WeakPolarHBondContact O-CB 3.38Å; Y240-Y328 VanDerWaalsContact CB-CE1 3.47Å; Y240-Y328 HydrophobicContact CD2-CD2 4.37Å; Y240-Y328 AromaticContact CD2-CE2 3.73Å; Y240-Y328 HydrophobicContact CD2-CE2 3.73Å; Y240-Y328 HydrophobicContact CG-CE1 4.32Å; Y240-Y328 AromaticContact CG-CE2 3.94Å; Y240-Y328 HydrophobicContact CG-CE2 3.94Å; Y240-Y328 AromaticContact CG-CZ 3.71Å; Y240-Y328 PolarHBondContact N-O 2.89Å; Y240-Y328 PolarHBondContact O-N 3.32Å; Y240-N330 HydrophobicContact CE2-CB 4.23Å; Y240-N330 VanDerWaalsContact CE2-ND2 3.34Å; Y240-N330 WeakPolarHBondContact CE2-ND2 3.36Å
241	V	98.9	Very high	98.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145.7	168	69.5	0	0	0	0	110.4	S290 C291 V293 F312 L314 L325 V326 T327 F392	V241-S290 CarbonylContact O-C 3.56Å; V241-S290 WeakPolarHBondContact O-CA 3.24Å; V241-C291 HydrophobicContact CG1-CB 4.04Å; V241-C291 PolarHBondContact N-O 2.92Å; V241-C291 PolarHBondContact O-N 3.49Å; V241-V293 HydrophobicContact CB-CG1 4.18Å; V241-V293 HydrophobicContact CG1-CG1 3.59Å; V241-F312 HydrophobicContact CG1-CB 3.77Å; V241-F312 HydrophobicContact CG1-CD1 4.29Å; V241-F312 HydrophobicContact CG1-CD2 4.32Å; V241-F312 HydrophobicContact CG1-CG 3.88Å; V241-L314 HydrophobicContact CG1-CD2 4.27Å; V241-L314 WeakPolarHBondContact O-CD2 3.09Å; V241-L325 HydrophobicContact CG2-CB 4.19Å; V241-V326 CarbonylContact C-O 3.51Å; V241-V326 VanDerWaalsContact CA-O 3.3Å; V241-V326 WeakPolarHBondContact CA-O 3.41Å; V241-T327 HydrophobicContact CG2-CG2 4.46Å; V241-F392 HydrophobicContact CG2-CE1 4.13Å
242	L	98.8	Very high	98.5	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	175.4	168.9	61.8	76.8	0	0	0	110.1	I244 V286 L325 V326 Y328 P346	L242-I244 HydrophobicContact CD1-CG2 3.43Å; L242-I244 VanDerWaalsContact CD1-CG2 3.43Å; L242-V286 HydrophobicContact CD1-CG1 4.21Å; L242-V286 HydrophobicContact CD1-CG2 4.05Å; L242-V286 HydrophobicContact CD2-CG1 4.1Å; L242-V286 HydrophobicContact CD2-CG2 4.1Å; L242-L325 CarbonylContact O-C 3.52Å; L242-L325 WeakPolarHBondContact O-CA 3.46Å; L242-V326 HydrophobicContact CD1-CB 3.65Å; L242-V326 HydrophobicContact CD1-CG1 4.4Å; L242-V326 HydrophobicContact CD1-CG2 4.01Å; L242-V326 HydrophobicContact CG-CB 4.21Å; L242-V326 PolarHBondContact N-O 2.89Å; L242-V326 PolarHBondContact O-N 3.2Å; L242-Y328 HydrophobicContact CD2-CD1 4.03Å; L242-Y328 HydrophobicContact CD2-CE1 3.71Å; L242-Y328 HydrophobicContact CG-CD1 4.46Å; L242-Y328 HydrophobicContact CG-CE1 4.3Å; L242-P346 HydrophobicContact CD2-CG 4.05Å
243	A	98.9	Very high	98.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	146.6	177.2	0	0	0	0	0	112.8	V287 T288 L314 I322 A324 L325 I372	A243-V287 PolarHBondContact O-N 3.17Å; A243-T288 HydrophobicContact CB-CG2 3.75Å; A243-T288 PolarHBondContact N-OG1 3.24Å; A243-L314 HydrophobicContact CB-CD1 4.13Å; A243-I322 HydrophobicContact CB-CD1 3.91Å; A243-I322 HydrophobicContact CB-CG1 4.33Å; A243-I322 HydrophobicContact CB-CG2 3.78Å; A243-A324 WeakPolarHBondContact CA-O 3.24Å; A243-L325 HydrophobicContact CB-CD2 3.85Å; A243-I372 HydrophobicContact CB-CD1 4.39Å
244	I	98.9	Very high	98.2	Very high	1 Å²	1	39 Å²	39	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	154.7	-173	68	168.7	0	0	0	114.2	L242 D246 V281 Q285 V286 I322 H323 A324 V326 V357	L242-I244 HydrophobicContact CD1-CG2 3.43Å; L242-I244 VanDerWaalsContact CD1-CG2 3.43Å; I244-D246 HydrophobicContact CD1-CB 3.8Å; I244-D246 HydrophobicContact CG1-CB 4.17Å; I244-V281 HydrophobicContact CD1-CG1 4.15Å; I244-V281 HydrophobicContact CD1-CG2 4.25Å; I244-V281 HydrophobicContact CG2-CG1 3.93Å; I244-Q285 CarbonylContact C-O 3.58Å; I244-Q285 VanDerWaalsContact CA-O 3.27Å; I244-Q285 WeakPolarHBondContact CA-O 3.3Å; I244-Q285 HydrophobicContact CB-CB 4.27Å; I244-V286 HydrophobicContact CG2-CG2 4.25Å; I244-I322 WeakPolarHBondContact O-CA 3.41Å; I244-H323 PolarHBondContact O-N 3.31Å; I244-A324 HydrophobicContact CD1-CB 4.3Å; I244-A324 HydrophobicContact CG1-CB 3.93Å; I244-A324 PolarHBondContact N-O 2.98Å; I244-V326 HydrophobicContact CB-CG2 4.34Å; I244-V326 HydrophobicContact CD1-CG2 3.63Å; I244-V326 HydrophobicContact CG1-CG2 3.79Å; I244-V326 HydrophobicContact CG2-CG2 3.6Å; I244-V357 HydrophobicContact CD1-CG1 4.26Å
245	E	98.8	Very high	98.1	Very high	41 Å²	41	41.2 Å²	41.2	19%	0.192	18%	0.181	C	C	.	.			trans	-86.1	125.3	160.6	-167.9	-74	128.4	0	0	109.2	R247 Q285 V287 D320 Y321 H323	E245-R247 VanDerWaalsContact OE1-CB 3.25Å; E245-R247 WeakPolarHBondContact OE1-CB 3.46Å; E245-R247 PolarHBondContact OE1-N 3.28Å; E245-Q285 PolarHBondContact N-O 3.48Å; E245-Q285 VanDerWaalsContact O-CB 3.31Å; E245-Q285 WeakPolarHBondContact O-CB 3.34Å; E245-Q285 WeakPolarHBondContact O-CG 3.41Å; E245-Q285 PolarHBondContact O-NE2 3.28Å; E245-V287 HydrophobicContact CB-CG2 4.02Å; E245-D320 WeakPolarHBondContact CG-OD1 3.33Å; E245-Y321 VanDerWaalsContact CA-O 3.3Å; E245-Y321 WeakPolarHBondContact CA-O 3.39Å; E245-Y321 VanDerWaalsContact CB-O 3.26Å; E245-Y321 WeakPolarHBondContact CB-O 3.14Å; E245-Y321 WeakPolarHBondContact CG-O 3.39Å; E245-H323 IonicContact OE1-CE1 2.84Å; E245-H323 PolarHBondContact OE1-CE1 3.43Å; E245-H323 IonicContact OE1-ND1 3.69Å
246	D	98.6	Very high	98.1	Very high	10 Å²	10	46.2 Å²	46.2	5%	0.053	20%	0.2	C	C	.	.			trans	-152.4	38	-177.2	-163.7	34.5	0	0	0	113.2	I244 Q248 Y249 K250 Q285 H323 Y359	I244-D246 HydrophobicContact CD1-CB 3.8Å; I244-D246 HydrophobicContact CG1-CB 4.17Å; D246-Q248 PolarHBondContact O-N 3.29Å; D246-Y249 PolarHBondContact O-N 3.1Å; D246-Y249 VanDerWaalsContact OD1-CB 3.26Å; D246-Y249 WeakPolarHBondContact OD1-CB 3.25Å; D246-K250 VanDerWaalsContact O-CB 3.28Å; D246-K250 WeakPolarHBondContact O-CB 3.35Å; D246-K250 PolarHBondContact O-N 3.45Å; D246-Q285 PolarHBondContact OD1-NE2 3.01Å; D246-H323 HydrophobicContact CB-CB 4.39Å; D246-H323 PolarHBondContact N-ND1 2.88Å; D246-H323 VanDerWaalsContact N-ND1 3.17Å; D246-Y359 HydrophobicContact CB-CE1 4.26Å; D246-Y359 VanDerWaalsContact OD2-CE1 3.29Å; D246-Y359 WeakPolarHBondContact OD2-CE1 3.26Å; D246-Y359 VanDerWaalsContact OD2-CZ 3.31Å; D246-Y359 PolarHBondContact OD2-OH 2.78Å
247	R	98.2	Very high	98	Very high	102 Å²	102	45.7 Å²	45.7	39%	0.385	20%	0.198	S	C	.	.	H	α-helix	trans	-55.9	-49.9	-174.7	-176.9	178.8	162.3	-175.9	-3.4	112.3	E245 Y249 K250 D251 H323	E245-R247 VanDerWaalsContact OE1-CB 3.25Å; E245-R247 WeakPolarHBondContact OE1-CB 3.46Å; E245-R247 PolarHBondContact OE1-N 3.28Å; R247-Y249 VanDerWaalsContact C-N 3.33Å; R247-Y249 PolarHBondContact O-N 3.2Å; R247-K250 PolarHBondContact O-N 2.91Å; R247-D251 IonicContact NE-OD2 3.34Å; R247-D251 WeakPolarHBondContact O-CB 3.47Å; R247-D251 VanDerWaalsContact O-CG 3.27Å; R247-D251 PolarHBondContact O-N 2.99Å; R247-H323 WeakPolarHBondContact CB-NE2 3.38Å
248	Q	97.6	Very high	98	Very high	169 Å²	169	49.9 Å²	49.9	79%	0.79	22%	0.218	S	C	*	.	H	α-helix	trans	-63.2	-40.9	-171.7	-176.8	178	4.5	0	0	111.7	D246 F252	D246-Q248 PolarHBondContact O-N 3.29Å; Q248-F252 PolarHBondContact O-N 3.4Å
249	Y	97.6	Very high	97.9	Very high	70 Å²	70	54.6 Å²	54.6	28%	0.275	24%	0.242	S	C	.	.	H	α-helix	trans	-80.2	-34.7	-179.1	-157	-125.6	0	0	0	111.9	D246 R247 D251 F252 K253 L277 D279	D246-Y249 PolarHBondContact O-N 3.1Å; D246-Y249 VanDerWaalsContact OD1-CB 3.26Å; D246-Y249 WeakPolarHBondContact OD1-CB 3.25Å; R247-Y249 VanDerWaalsContact C-N 3.33Å; R247-Y249 PolarHBondContact O-N 3.2Å; Y249-D251 VanDerWaalsContact C-N 3.32Å; Y249-D251 PolarHBondContact O-N 3.14Å; Y249-F252 HydrophobicContact CD2-CD1 4.11Å; Y249-F252 AromaticContact CE2-CD1 3.94Å; Y249-F252 HydrophobicContact CE2-CD1 3.94Å; Y249-F252 HydrophobicContact CE2-CE1 4.43Å; Y249-F252 PolarHBondContact O-N 2.92Å; Y249-F252 VanDerWaalsContact O-N 3.14Å; Y249-K253 HydrophobicContact CD1-CG 4.18Å; Y249-K253 HydrophobicContact CD2-CG 4.48Å; Y249-K253 HydrophobicContact CE1-CG 4.05Å; Y249-K253 HydrophobicContact CE2-CG 4.31Å; Y249-K253 HydrophobicContact CG-CG 4.41Å; Y249-K253 WeakPolarHBondContact O-CB 3.16Å; Y249-K253 WeakPolarHBondContact O-CG 3.05Å; Y249-K253 PolarHBondContact O-N 3.12Å; Y249-K253 WeakPolarHBondContact OH-CE 3.42Å; Y249-L277 HydrophobicContact CD1-CD2 4.26Å; Y249-L277 HydrophobicContact CE1-CD2 3.59Å; Y249-D279 WeakPolarHBondContact CE1-OD2 3.26Å; Y249-D279 PolarHBondContact OH-OD2 3.41Å
250	K	98	Very high	97.9	Very high	4 Å²	4	55 Å²	55	2%	0.017	25%	0.245	C	C	.	.	H	α-helix	trans	-58.3	-43.6	167.5	-171.5	-179.9	173	-175	0	111.5	D246 R247 F252 K253 I254 H255 H323 Y359 L360 E361	D246-K250 VanDerWaalsContact O-CB 3.28Å; D246-K250 WeakPolarHBondContact O-CB 3.35Å; D246-K250 PolarHBondContact O-N 3.45Å; R247-K250 PolarHBondContact O-N 2.91Å; K250-F252 VanDerWaalsContact C-N 3.28Å; K250-F252 PolarHBondContact O-N 2.96Å; K250-K253 PolarHBondContact O-N 3.46Å; K250-I254 HydrophobicContact CG-CB 4.09Å; K250-I254 HydrophobicContact CG-CG1 4.11Å; K250-I254 WeakPolarHBondContact O-CA 3.5Å; K250-I254 VanDerWaalsContact O-CB 3.29Å; K250-I254 WeakPolarHBondContact O-CB 3.44Å; K250-I254 PolarHBondContact O-N 2.75Å; K250-H255 WeakPolarHBondContact CE-NE2 3.3Å; K250-H255 PolarHBondContact O-N 3.19Å; K250-H323 HydrophobicContact CD-CB 4.41Å; K250-Y359 HydrophobicContact CB-CD1 4.02Å; K250-Y359 HydrophobicContact CB-CE1 3.64Å; K250-Y359 HydrophobicContact CD-CD1 3.88Å; K250-Y359 HydrophobicContact CD-CE1 4.37Å; K250-Y359 HydrophobicContact CD-CG 4.46Å; K250-Y359 HydrophobicContact CG-CD1 3.84Å; K250-Y359 HydrophobicContact CG-CE1 3.98Å; K250-Y359 HydrophobicContact CG-CG 4.31Å; K250-L360 WeakPolarHBondContact CE-O 3.46Å; K250-L360 PolarHBondContact NZ-O 3.24Å; K250-E361 PolarHBondContact NZ-O 3.26Å
251	D	97.2	Very high	97.8	Very high	67 Å²	67	62.6 Å²	62.6	36%	0.358	28%	0.275	S	S	.	.	H	α-helix	trans	-59.2	-41.6	175.7	-76.1	-15.6	0	0	0	110.9	R247 Y249 H255 W256	R247-D251 IonicContact NE-OD2 3.34Å; R247-D251 WeakPolarHBondContact O-CB 3.47Å; R247-D251 VanDerWaalsContact O-CG 3.27Å; R247-D251 PolarHBondContact O-N 2.99Å; Y249-D251 VanDerWaalsContact C-N 3.32Å; Y249-D251 PolarHBondContact O-N 3.14Å; D251-H255 IonicContact OD1-CD2 2.73Å; D251-H255 PolarHBondContact OD1-CD2 3.31Å; D251-H255 VanDerWaalsContact OD1-CD2 3.28Å; D251-H255 IonicContact OD1-CG 3.47Å; D251-W256 PolarHBondContact O-N 2.75Å
252	F	96.8	Very high	97.8	Very high	130 Å²	130	65.5 Å²	65.5	57%	0.57	31%	0.305	S	S	*	.	H	α-helix	trans	-71.7	-39.3	179.5	179.1	-109	0	0	0	114.1	Q248 Y249 K250 W256	Q248-F252 PolarHBondContact O-N 3.4Å; Y249-F252 HydrophobicContact CD2-CD1 4.11Å; Y249-F252 AromaticContact CE2-CD1 3.94Å; Y249-F252 HydrophobicContact CE2-CD1 3.94Å; Y249-F252 HydrophobicContact CE2-CE1 4.43Å; Y249-F252 PolarHBondContact O-N 2.92Å; Y249-F252 VanDerWaalsContact O-N 3.14Å; K250-F252 VanDerWaalsContact C-N 3.28Å; K250-F252 PolarHBondContact O-N 2.96Å; F252-W256 VanDerWaalsContact O-CB 3.23Å; F252-W256 WeakPolarHBondContact O-CB 3.41Å
253	K	95.6	Very high	97.7	Very high	76 Å²	76	72.3 Å²	72.3	33%	0.33	33%	0.334	S	S	.	.	H	α-helix	trans	-92.5	-37	-173.7	-69.6	-67.9	-171.2	168.5	0	113.9	Y249 K250 W257 L277	Y249-K253 HydrophobicContact CD1-CG 4.18Å; Y249-K253 HydrophobicContact CD2-CG 4.48Å; Y249-K253 HydrophobicContact CE1-CG 4.05Å; Y249-K253 HydrophobicContact CE2-CG 4.31Å; Y249-K253 HydrophobicContact CG-CG 4.41Å; Y249-K253 WeakPolarHBondContact O-CB 3.16Å; Y249-K253 WeakPolarHBondContact O-CG 3.05Å; Y249-K253 PolarHBondContact O-N 3.12Å; Y249-K253 WeakPolarHBondContact OH-CE 3.42Å; K250-K253 PolarHBondContact O-N 3.46Å; K253-W257 PolarHBondContact O-NE1 2.86Å; K253-L277 HydrophobicContact CG-CD2 4.42Å
254	I	96.6	Very high	97.7	Very high	6 Å²	6	77.7 Å²	77.7	3%	0.031	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-61.1	-172.3	-59.2	-56.4	0	0	0	110.5	K250 W256 W257 R269 A272 M273 Y359	K250-I254 HydrophobicContact CG-CB 4.09Å; K250-I254 HydrophobicContact CG-CG1 4.11Å; K250-I254 WeakPolarHBondContact O-CA 3.5Å; K250-I254 VanDerWaalsContact O-CB 3.29Å; K250-I254 WeakPolarHBondContact O-CB 3.44Å; K250-I254 PolarHBondContact O-N 2.75Å; I254-W256 PolarHBondContact O-N 2.83Å; I254-W257 PolarHBondContact O-N 3.34Å; I254-R269 HydrophobicContact CG2-CG 3.7Å; I254-R269 VanDerWaalsContact O-CG 3.25Å; I254-R269 WeakPolarHBondContact O-CG 3.29Å; I254-A272 HydrophobicContact CD1-CB 4.07Å; I254-M273 HydrophobicContact CB-SD 4.2Å; I254-M273 HydrophobicContact CD1-CG 4.43Å; I254-M273 HydrophobicContact CD1-SD 4.02Å; I254-M273 HydrophobicContact CG1-SD 3.87Å; I254-M273 HydrophobicContact CG2-CG 3.71Å; I254-M273 HydrophobicContact CG2-SD 3.33Å; I254-M273 WeakPolarHBondContact CG2-SD 3.41Å; I254-Y359 HydrophobicContact CD1-CD2 4.13Å; I254-Y359 HydrophobicContact CG1-CD2 3.83Å; I254-Y359 HydrophobicContact CG1-CE2 4.13Å; I254-Y359 HydrophobicContact CG1-CG 4.38Å
255	H	96.8	Very high	97.7	Very high	50 Å²	50	80.4 Å²	80.4	23%	0.231	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-73.3	-16.9	-172.4	-62.9	-66.6	0	0	0	113.3	K250 D251 W257 E258	K250-H255 WeakPolarHBondContact CE-NE2 3.3Å; K250-H255 PolarHBondContact O-N 3.19Å; D251-H255 IonicContact OD1-CD2 2.73Å; D251-H255 PolarHBondContact OD1-CD2 3.31Å; D251-H255 VanDerWaalsContact OD1-CD2 3.28Å; D251-H255 IonicContact OD1-CG 3.47Å; H255-W257 PolarHBondContact O-N 3.2Å; H255-E258 IonicContact CE1-OE1 2.71Å; H255-E258 IonicContact CG-OE1 2.73Å; H255-E258 IonicContact ND1-OE1 2.63Å; H255-E258 PolarHBondContact ND1-OE1 2.76Å; H255-E258 VanDerWaalsContact O-CB 3.29Å; H255-E258 WeakPolarHBondContact O-CB 3.42Å; H255-E258 WeakPolarHBondContact O-CG 3.23Å; H255-E258 PolarHBondContact O-N 3.23Å
256	W	97.9	Very high	97.6	Very high	107 Å²	107	80.9 Å²	80.9	41%	0.405	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-52.8	-35.8	172.6	177.8	82.9	0	0	0	113.2	D251 F252 I254 E258 N259 V260	D251-W256 PolarHBondContact O-N 2.75Å; F252-W256 VanDerWaalsContact O-CB 3.23Å; F252-W256 WeakPolarHBondContact O-CB 3.41Å; I254-W256 PolarHBondContact O-N 2.83Å; W256-E258 PolarHBondContact O-N 3.27Å; W256-N259 CarbonylContact O-C 3.46Å; W256-N259 PolarHBondContact O-N 3.07Å; W256-V260 HydrophobicContact CD2-CG2 4.35Å; W256-V260 HydrophobicContact CE3-CG2 3.98Å; W256-V260 HydrophobicContact CH2-CB 4.37Å; W256-V260 HydrophobicContact CH2-CG1 3.72Å; W256-V260 HydrophobicContact CH2-CG2 3.77Å; W256-V260 HydrophobicContact CZ2-CG1 3.94Å; W256-V260 HydrophobicContact CZ2-CG2 4.13Å; W256-V260 HydrophobicContact CZ3-CG1 4.45Å; W256-V260 HydrophobicContact CZ3-CG2 3.69Å
257	W	98.1	Very high	97.6	Very high	67 Å²	67	84.7 Å²	84.7	25%	0.254	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-66.1	-15.8	179	-67.6	105.8	0	0	0	114.1	K253 I254 H255 N259 V260 M265 T266 I268 R269	K253-W257 PolarHBondContact O-NE1 2.86Å; I254-W257 PolarHBondContact O-N 3.34Å; H255-W257 PolarHBondContact O-N 3.2Å; W257-N259 PolarHBondContact O-N 2.92Å; W257-V260 HydrophobicContact CE3-CG2 4.12Å; W257-M265 HydrophobicContact CE3-CB 3.98Å; W257-M265 HydrophobicContact CE3-SD 4.1Å; W257-M265 HydrophobicContact CZ3-SD 4.07Å; W257-M265 CarbonylContact O-C 3.18Å; W257-M265 WeakPolarHBondContact O-CA 3.37Å; W257-M265 VanDerWaalsContact O-CB 3.29Å; W257-M265 WeakPolarHBondContact O-CB 3.47Å; W257-M265 PolarHBondContact O-N 3.44Å; W257-T266 PolarHBondContact O-N 3.46Å; W257-I268 HydrophobicContact CD2-CB 4.15Å; W257-I268 HydrophobicContact CD2-CG2 3.76Å; W257-I268 HydrophobicContact CE3-CB 3.96Å; W257-I268 HydrophobicContact CE3-CD1 3.99Å; W257-I268 HydrophobicContact CE3-CG2 3.82Å; W257-I268 HydrophobicContact CG-CG2 4.42Å; W257-I268 HydrophobicContact CH2-CD1 4.35Å; W257-I268 HydrophobicContact CH2-CG2 3.96Å; W257-I268 HydrophobicContact CZ2-CG2 3.91Å; W257-I268 HydrophobicContact CZ3-CB 4.32Å; W257-I268 HydrophobicContact CZ3-CD1 3.65Å; W257-I268 HydrophobicContact CZ3-CG2 3.91Å; W257-R269 HydrophobicContact CB-CB 3.77Å; W257-R269 HydrophobicContact CB-CG 4.43Å; W257-R269 HydrophobicContact CG-CB 4.42Å
258	E	97.9	Very high	97.5	Very high	89 Å²	89	83.2 Å²	83.2	42%	0.416	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-70.9	-22.6	177.3	-61.1	174.5	-175	0	0	112.2	H255 W256 T266	H255-E258 IonicContact CE1-OE1 2.71Å; H255-E258 IonicContact CG-OE1 2.73Å; H255-E258 IonicContact ND1-OE1 2.63Å; H255-E258 PolarHBondContact ND1-OE1 2.76Å; H255-E258 VanDerWaalsContact O-CB 3.29Å; H255-E258 WeakPolarHBondContact O-CB 3.42Å; H255-E258 WeakPolarHBondContact O-CG 3.23Å; H255-E258 PolarHBondContact O-N 3.23Å; W256-E258 PolarHBondContact O-N 3.27Å; E258-T266 HydrophobicContact CB-CG2 4.37Å; E258-T266 HydrophobicContact CG-CG2 3.91Å
259	N	97.8	Very high	97.5	Very high	104 Å²	104	75.7 Å²	75.7	56%	0.556	37%	0.372	S	S	*	.			trans	-149.7	83.4	179.6	-173.1	-14.9	0	0	0	110.9	W256 W257 Y261 G262	W256-N259 CarbonylContact O-C 3.46Å; W256-N259 PolarHBondContact O-N 3.07Å; W257-N259 PolarHBondContact O-N 2.92Å; N259-Y261 PolarHBondContact O-N 2.75Å; N259-G262 WeakPolarHBondContact OD1-CA 3.43Å; N259-G262 PolarHBondContact OD1-N 3.18Å
260	V	98.3	Very high	97.4	Very high	10 Å²	10	76.4 Å²	76.4	6%	0.061	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-90.8	93.1	174.4	-177.7	0	0	0	0	107.8	W256 W257 G262 F263 M265	W256-V260 HydrophobicContact CD2-CG2 4.35Å; W256-V260 HydrophobicContact CE3-CG2 3.98Å; W256-V260 HydrophobicContact CH2-CB 4.37Å; W256-V260 HydrophobicContact CH2-CG1 3.72Å; W256-V260 HydrophobicContact CH2-CG2 3.77Å; W256-V260 HydrophobicContact CZ2-CG1 3.94Å; W256-V260 HydrophobicContact CZ2-CG2 4.13Å; W256-V260 HydrophobicContact CZ3-CG1 4.45Å; W256-V260 HydrophobicContact CZ3-CG2 3.69Å; W257-V260 HydrophobicContact CE3-CG2 4.12Å; V260-G262 VanDerWaalsContact C-N 3.28Å; V260-G262 PolarHBondContact O-N 2.73Å; V260-F263 PolarHBondContact N-O 2.79Å; V260-F263 WeakPolarHBondContact O-CB 3.46Å; V260-F263 WeakPolarHBondContact O-CD2 3.29Å; V260-F263 PolarHBondContact O-N 3.09Å; V260-F263 VanDerWaalsContact O-N 3.07Å; V260-M265 HydrophobicContact CB-CE 3.79Å; V260-M265 HydrophobicContact CB-CG 4.12Å; V260-M265 HydrophobicContact CB-SD 3.79Å; V260-M265 HydrophobicContact CG1-CE 3.68Å; V260-M265 HydrophobicContact CG1-SD 3.96Å; V260-M265 HydrophobicContact CG2-CB 4.18Å; V260-M265 HydrophobicContact CG2-CE 4.37Å; V260-M265 HydrophobicContact CG2-CG 3.95Å; V260-M265 HydrophobicContact CG2-SD 3.68Å
261	Y	97.3	Very high	97.2	Very high	208 Å²	208	79.4 Å²	79.4	82%	0.816	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	36.2	-179	-54.8	-78.8	0	0	0	114.8	N259	N259-Y261 PolarHBondContact O-N 2.75Å
262	G	97.9	Very high	97.1	Very high	61 Å²	61	77.3 Å²	77.3	63%	0.629	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.9	-3.8	-178.3	0	0	0	0	0	114.3	N259 V260	N259-G262 WeakPolarHBondContact OD1-CA 3.43Å; N259-G262 PolarHBondContact OD1-N 3.18Å; V260-G262 VanDerWaalsContact C-N 3.28Å; V260-G262 PolarHBondContact O-N 2.73Å
263	F	97.8	Very high	97	Very high	146 Å²	146	71.3 Å²	71.3	64%	0.64	37%	0.365	S	S	*	.	B	Isolated β-bridge	trans	-105.8	136.1	-179.8	-55.2	-75.3	0	0	0	111.6	V260	V260-F263 PolarHBondContact N-O 2.79Å; V260-F263 WeakPolarHBondContact O-CB 3.46Å; V260-F263 WeakPolarHBondContact O-CD2 3.29Å; V260-F263 PolarHBondContact O-N 3.09Å; V260-F263 VanDerWaalsContact O-N 3.07Å
264	D	98.3	Very high	97.1	Very high	114 Å²	114	73 Å²	73	61%	0.61	37%	0.372	S	S	*	.			trans	-79.4	118.6	176	177.3	10.3	0	0	0	110.4	T266	D264-T266 VanDerWaalsContact OD1-CB 3.22Å; D264-T266 WeakPolarHBondContact OD1-CB 3.33Å; D264-T266 WeakPolarHBondContact OD1-CG2 3.26Å; D264-T266 PolarHBondContact OD1-N 2.89Å; D264-T266 PolarHBondContact OD1-OG1 3.22Å; D264-T266 PolarHBondContact OD2-OG1 3.22Å
265	M	98.6	Very high	97.1	Very high	58 Å²	58	76.6 Å²	76.6	29%	0.286	39%	0.389	S	S	.	.			trans	-120.7	30.2	174.1	-56.6	-169.4	-176.5	0	0	111.8	W257 V260 C267 I268 R269	W257-M265 HydrophobicContact CE3-CB 3.98Å; W257-M265 HydrophobicContact CE3-SD 4.1Å; W257-M265 HydrophobicContact CZ3-SD 4.07Å; W257-M265 CarbonylContact O-C 3.18Å; W257-M265 WeakPolarHBondContact O-CA 3.37Å; W257-M265 VanDerWaalsContact O-CB 3.29Å; W257-M265 WeakPolarHBondContact O-CB 3.47Å; W257-M265 PolarHBondContact O-N 3.44Å; V260-M265 HydrophobicContact CB-CE 3.79Å; V260-M265 HydrophobicContact CB-CG 4.12Å; V260-M265 HydrophobicContact CB-SD 3.79Å; V260-M265 HydrophobicContact CG1-CE 3.68Å; V260-M265 HydrophobicContact CG1-SD 3.96Å; V260-M265 HydrophobicContact CG2-CB 4.18Å; V260-M265 HydrophobicContact CG2-CE 4.37Å; V260-M265 HydrophobicContact CG2-CG 3.95Å; V260-M265 HydrophobicContact CG2-SD 3.68Å; M265-C267 PolarHBondContact O-N 3.36Å; M265-I268 HydrophobicContact CB-CD1 4.45Å; M265-I268 PolarHBondContact O-N 2.87Å; M265-I268 HydrophobicContact SD-CD1 4.44Å; M265-R269 PolarHBondContact O-N 2.86Å
266	T	98	Very high	97.1	Very high	50 Å²	50	75 Å²	75	31%	0.307	38%	0.383	S	S	.	.	H	α-helix	trans	-53.4	-25.7	176.9	45.2	0	0	0	0	114.1	W257 E258 D264 I268 R269 N270	W257-T266 PolarHBondContact O-N 3.46Å; E258-T266 HydrophobicContact CB-CG2 4.37Å; E258-T266 HydrophobicContact CG-CG2 3.91Å; D264-T266 VanDerWaalsContact OD1-CB 3.22Å; D264-T266 WeakPolarHBondContact OD1-CB 3.33Å; D264-T266 WeakPolarHBondContact OD1-CG2 3.26Å; D264-T266 PolarHBondContact OD1-N 2.89Å; D264-T266 PolarHBondContact OD1-OG1 3.22Å; D264-T266 PolarHBondContact OD2-OG1 3.22Å; T266-I268 PolarHBondContact O-N 2.86Å; T266-R269 WeakPolarHBondContact O-CB 3.46Å; T266-R269 PolarHBondContact O-N 3.07Å; T266-N270 PolarHBondContact O-N 2.78Å; T266-N270 PolarHBondContact O-ND2 2.94Å; T266-N270 PolarHBondContact O-OD1 3.48Å
267	C	97.6	Very high	97.1	Very high	90 Å²	90	72.1 Å²	72.1	61%	0.608	38%	0.375	S	S	*	.	H	α-helix	trans	-60.1	-34.4	173.5	63.2	0	0	0	0	112.9	M265	M265-C267 PolarHBondContact O-N 3.36Å
268	I	96.9	Very high	97.1	Very high	71 Å²	71	70.7 Å²	70.7	36%	0.364	37%	0.374	S	S	.	.	H	α-helix	trans	-77	-42.4	174.4	-61.7	175.8	0	0	0	110	W257 M265 T266 N270 V271 A272	W257-I268 HydrophobicContact CD2-CB 4.15Å; W257-I268 HydrophobicContact CD2-CG2 3.76Å; W257-I268 HydrophobicContact CE3-CB 3.96Å; W257-I268 HydrophobicContact CE3-CD1 3.99Å; W257-I268 HydrophobicContact CE3-CG2 3.82Å; W257-I268 HydrophobicContact CG-CG2 4.42Å; W257-I268 HydrophobicContact CH2-CD1 4.35Å; W257-I268 HydrophobicContact CH2-CG2 3.96Å; W257-I268 HydrophobicContact CZ2-CG2 3.91Å; W257-I268 HydrophobicContact CZ3-CB 4.32Å; W257-I268 HydrophobicContact CZ3-CD1 3.65Å; W257-I268 HydrophobicContact CZ3-CG2 3.91Å; M265-I268 HydrophobicContact CB-CD1 4.45Å; M265-I268 PolarHBondContact O-N 2.87Å; M265-I268 HydrophobicContact SD-CD1 4.44Å; T266-I268 PolarHBondContact O-N 2.86Å; I268-N270 PolarHBondContact O-N 2.79Å; I268-V271 WeakPolarHBondContact O-CA 3.14Å; I268-V271 WeakPolarHBondContact O-CB 3.34Å; I268-V271 PolarHBondContact O-N 2.82Å; I268-A272 PolarHBondContact O-N 3.03Å
269	R	97.2	Very high	97.1	Very high	12 Å²	12	68.3 Å²	68.3	5%	0.045	36%	0.364	C	S	.	.	H	α-helix	trans	-49.4	-46.3	174.6	-171.9	-88	-169.4	-171.9	3.7	111.7	I254 W257 M265 T266 V271 A272 M273 E361	I254-R269 HydrophobicContact CG2-CG 3.7Å; I254-R269 VanDerWaalsContact O-CG 3.25Å; I254-R269 WeakPolarHBondContact O-CG 3.29Å; W257-R269 HydrophobicContact CB-CB 3.77Å; W257-R269 HydrophobicContact CB-CG 4.43Å; W257-R269 HydrophobicContact CG-CB 4.42Å; M265-R269 PolarHBondContact O-N 2.86Å; T266-R269 WeakPolarHBondContact O-CB 3.46Å; T266-R269 PolarHBondContact O-N 3.07Å; R269-V271 PolarHBondContact O-N 3.36Å; R269-A272 PolarHBondContact O-N 3.17Å; R269-M273 WeakPolarHBondContact O-CG 3.47Å; R269-M273 PolarHBondContact O-N 2.8Å; R269-E361 IonicContact CZ-OE1 2.62Å; R269-E361 IonicContact CZ-OE2 3.41Å; R269-E361 IonicContact NH1-OE1 3.38Å; R269-E361 PolarHBondContact NH1-OE1 2.56Å; R269-E361 IonicContact NH1-OE2 2.92Å; R269-E361 PolarHBondContact NH1-OE2 2.96Å; R269-E361 VanDerWaalsContact NH2-CD 3.33Å; R269-E361 IonicContact NH2-OE1 3.33Å; R269-E361 PolarHBondContact NH2-OE1 3.17Å; R269-E361 IonicContact NH2-OE2 3.69Å; R269-E361 PolarHBondContact NH2-OE2 2.88Å
270	N	95.1	Very high	97.2	Very high	84 Å²	84	67.1 Å²	67.1	45%	0.449	36%	0.36	S	S	.	.	H	α-helix	trans	-65.4	-23.7	-179	-66.9	-16.9	0	0	0	113.6	T266 I268	T266-N270 PolarHBondContact O-N 2.78Å; T266-N270 PolarHBondContact O-ND2 2.94Å; T266-N270 PolarHBondContact O-OD1 3.48Å; I268-N270 PolarHBondContact O-N 2.79Å
271	V	94.4	Very high	97.2	Very high	68 Å²	68	66.8 Å²	66.8	41%	0.412	36%	0.358	S	S	.	.	H	α-helix	trans	-84.2	-46.3	172.3	-179.8	0	0	0	0	110	I268 R269 M273 K274 E275	I268-V271 WeakPolarHBondContact O-CA 3.14Å; I268-V271 WeakPolarHBondContact O-CB 3.34Å; I268-V271 PolarHBondContact O-N 2.82Å; R269-V271 PolarHBondContact O-N 3.36Å; V271-M273 VanDerWaalsContact C-N 3.25Å; V271-M273 PolarHBondContact O-N 3.44Å; V271-K274 WeakPolarHBondContact O-CB 3.25Å; V271-K274 PolarHBondContact O-N 3.1Å; V271-E275 PolarHBondContact O-N 2.84Å
272	A	94.5	Very high	97.3	Very high	23 Å²	23	60.4 Å²	60.4	19%	0.19	34%	0.338	C	S	.	.	H	α-helix	trans	-58.6	-35.7	179	0	0	0	0	0	112.6	I254 I268 R269 K274 E275	I254-A272 HydrophobicContact CD1-CB 4.07Å; I268-A272 PolarHBondContact O-N 3.03Å; R269-A272 PolarHBondContact O-N 3.17Å; A272-K274 PolarHBondContact O-N 2.76Å; A272-E275 PolarHBondContact O-N 2.95Å; A272-E275 VanDerWaalsContact O-N 3.12Å
273	M	95.6	Very high	97.3	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.015	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-28.4	173.6	-84.4	-61.2	-56.8	0	0	114.2	I254 R269 V271 Y359 L360 Y409	I254-M273 HydrophobicContact CB-SD 4.2Å; I254-M273 HydrophobicContact CD1-CG 4.43Å; I254-M273 HydrophobicContact CD1-SD 4.02Å; I254-M273 HydrophobicContact CG1-SD 3.87Å; I254-M273 HydrophobicContact CG2-CG 3.71Å; I254-M273 HydrophobicContact CG2-SD 3.33Å; I254-M273 WeakPolarHBondContact CG2-SD 3.41Å; R269-M273 WeakPolarHBondContact O-CG 3.47Å; R269-M273 PolarHBondContact O-N 2.8Å; V271-M273 VanDerWaalsContact C-N 3.25Å; V271-M273 PolarHBondContact O-N 3.44Å; M273-Y359 WeakPolarHBondContact CE-O 3.06Å; M273-L360 VanDerWaalsContact CE-C 3.49Å; M273-L360 WeakPolarHBondContact CE-O 3.49Å; M273-Y409 WeakPolarHBondContact O-CE1 3.38Å
274	K	96.3	Very high	97.3	Very high	113 Å²	113	61 Å²	61	49%	0.491	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-2.1	-179.2	-59.4	-177.5	-178.5	-169.8	0	112.5	V271 A272 Y409 K410	V271-K274 WeakPolarHBondContact O-CB 3.25Å; V271-K274 PolarHBondContact O-N 3.1Å; A272-K274 PolarHBondContact O-N 2.76Å; K274-Y409 CarbonylContact O-C 3.47Å; K274-Y409 WeakPolarHBondContact O-CA 3.01Å; K274-Y409 WeakPolarHBondContact O-CB 3.23Å; K274-K410 PolarHBondContact O-N 3.28Å
275	E	96.6	Very high	97.3	Very high	80 Å²	80	57.5 Å²	57.5	37%	0.374	31%	0.309	S	S	.	.	S	Bend	trans	-104	114.6	177.8	-69.8	-174.1	175.4	0	0	109	V271 A272 R412	V271-E275 PolarHBondContact O-N 2.84Å; A272-E275 PolarHBondContact O-N 2.95Å; A272-E275 VanDerWaalsContact O-N 3.12Å; E275-R412 IonicContact OE1-CZ 3.14Å; E275-R412 IonicContact OE1-NE 2.8Å; E275-R412 PolarHBondContact OE1-NE 3Å; E275-R412 IonicContact OE1-NH2 3.42Å; E275-R412 PolarHBondContact OE1-NH2 3.41Å
276	P	97.9	Very high	97.4	Very high	17 Å²	17	56.1 Å²	56.1	11%	0.11	30%	0.304	C	S	.	.			trans	-62.1	139.7	175.8	-19.4	32.3	0	0	0	110.8	T356 V357 F358 K410 M411	P276-T356 HydrophobicContact CB-CG2 3.5Å; P276-V357 CarbonylContact C-O 3.47Å; P276-V357 VanDerWaalsContact CA-O 3.29Å; P276-V357 WeakPolarHBondContact CA-O 3.38Å; P276-F358 HydrophobicContact CB-CD1 3.92Å; P276-F358 HydrophobicContact CB-CE1 3.73Å; P276-F358 HydrophobicContact CB-CG 4.5Å; P276-F358 HydrophobicContact CB-CZ 4.13Å; P276-F358 HydrophobicContact CG-CD1 3.72Å; P276-F358 HydrophobicContact CG-CE1 3.4Å; P276-F358 VanDerWaalsContact CG-CE1 3.4Å; P276-F358 HydrophobicContact CG-CZ 4.19Å; P276-K410 VanDerWaalsContact CD-O 3.24Å; P276-K410 WeakPolarHBondContact CD-O 3.31Å; P276-M411 HydrophobicContact CB-CE 4.03Å; P276-M411 HydrophobicContact CG-CB 4.47Å; P276-M411 HydrophobicContact CG-CE 4.4Å
277	L	97.7	Very high	97.4	Very high	46 Å²	46	53.8 Å²	53.8	24%	0.241	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	129.7	178.5	-170.3	71.3	0	0	0	110.2	Y249 K253 D279 T356 V357	Y249-L277 HydrophobicContact CD1-CD2 4.26Å; Y249-L277 HydrophobicContact CE1-CD2 3.59Å; K253-L277 HydrophobicContact CG-CD2 4.42Å; L277-D279 HydrophobicContact CD2-CB 4.22Å; L277-D279 HydrophobicContact CG-CB 4.33Å; L277-T356 CarbonylContact O-C 3.37Å; L277-T356 WeakPolarHBondContact O-CA 3.41Å; L277-V357 HydrophobicContact CB-CB 4.37Å; L277-V357 PolarHBondContact N-O 2.82Å; L277-V357 PolarHBondContact O-N 2.83Å
278	V	98.3	Very high	97.5	Very high	38 Å²	38	49.8 Å²	49.8	23%	0.23	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	105.2	170.7	180	0	0	0	0	109	Y207 W353 K354 Q355 M411	Y207-V278 HydrophobicContact CD1-CB 4.39Å; Y207-V278 HydrophobicContact CD1-CG1 3.5Å; Y207-V278 VanDerWaalsContact CD1-CG1 3.5Å; Y207-V278 HydrophobicContact CD1-CG2 4.07Å; Y207-V278 HydrophobicContact CD2-CG2 4.17Å; Y207-V278 HydrophobicContact CE1-CG1 3.6Å; Y207-V278 HydrophobicContact CG-CG1 4.11Å; Y207-V278 HydrophobicContact CG-CG2 3.79Å; V278-W353 WeakPolarHBondContact CG1-O 3.35Å; V278-K354 HydrophobicContact CG1-CB 4.4Å; V278-K354 HydrophobicContact CG1-CD 4.48Å; V278-Q355 WeakPolarHBondContact CA-O 3.44Å; V278-M411 HydrophobicContact CG2-CE 4.36Å
279	D	98.3	Very high	97.5	Very high	38 Å²	38	49.4 Å²	49.4	20%	0.203	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	167.4	179.4	-140.4	-17.2	0	0	0	112.6	Y249 L277 K354 Q355	Y249-D279 WeakPolarHBondContact CE1-OD2 3.26Å; Y249-D279 PolarHBondContact OH-OD2 3.41Å; L277-D279 HydrophobicContact CD2-CB 4.22Å; L277-D279 HydrophobicContact CG-CB 4.33Å; D279-K354 WeakPolarHBondContact O-CB 3.41Å; D279-K354 IonicContact OD1-NZ 3.22Å; D279-Q355 PolarHBondContact N-O 3.19Å; D279-Q355 PolarHBondContact O-N 3.18Å; D279-Q355 VanDerWaalsContact O-N 3.13Å; D279-Q355 VanDerWaalsContact O-O 3.13Å; D279-Q355 PolarHBondContact O-OE1 3.12Å
280	V	98.4	Very high	97.6	Very high	79 Å²	79	51 Å²	51	48%	0.479	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-79.7	124.7	175.7	-177.5	0	0	0	0	109	Y350 K354	V280-Y350 HydrophobicContact CG2-CD2 3.82Å; V280-Y350 HydrophobicContact CG2-CE2 3.73Å; V280-K354 HydrophobicContact CG2-CB 4.11Å; V280-K354 HydrophobicContact CG2-CD 3.79Å; V280-K354 HydrophobicContact CG2-CG 3.74Å
281	V	98.6	Very high	97.8	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.024	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-94.1	128.5	173.9	174.6	0	0	0	0	108.8	I244 Q285 V326 P346 Q355 V357	I244-V281 HydrophobicContact CD1-CG1 4.15Å; I244-V281 HydrophobicContact CD1-CG2 4.25Å; I244-V281 HydrophobicContact CG2-CG1 3.93Å; V281-Q285 HydrophobicContact CG1-CB 4.32Å; V281-V326 HydrophobicContact CG2-CG1 4.17Å; V281-V326 HydrophobicContact CG2-CG2 4.21Å; V281-P346 HydrophobicContact CB-CB 4.2Å; V281-P346 HydrophobicContact CB-CG 4.1Å; V281-P346 HydrophobicContact CG1-CB 4.15Å; V281-P346 HydrophobicContact CG1-CG 4.09Å; V281-Q355 HydrophobicContact CG2-CB 4.18Å; V281-V357 HydrophobicContact CG2-CG2 3.81Å
282	D	98.6	Very high	98	Very high	74 Å²	74	48.3 Å²	48.3	40%	0.396	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-67.9	126.3	171.5	-178.7	-28.1	0	0	0	108.1	K284 Q285	D282-K284 PolarHBondContact O-N 2.89Å; D282-K284 VanDerWaalsContact OD1-CB 3.29Å; D282-K284 WeakPolarHBondContact OD1-CB 3.24Å; D282-K284 WeakPolarHBondContact OD1-CG 3.33Å; D282-K284 PolarHBondContact OD1-N 3.1Å; D282-Q285 HydrophobicContact CB-CG 4.16Å; D282-Q285 VanDerWaalsContact N-OE1 3.14Å; D282-Q285 VanDerWaalsContact O-CB 3.24Å; D282-Q285 WeakPolarHBondContact O-CB 3.3Å; D282-Q285 PolarHBondContact O-N 2.95Å
283	P	98.5	Very high	98.2	Very high	61 Å²	61	47.5 Å²	47.5	40%	0.396	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-58.5	-19.9	-179.4	16.2	-25.5	0	0	0	113.7	Q285 V286 P346 D347	P283-Q285 PolarHBondContact O-N 3.19Å; P283-V286 WeakPolarHBondContact O-CB 3.27Å; P283-V286 PolarHBondContact O-N 2.93Å; P283-P346 HydrophobicContact CB-CB 4.2Å; P283-P346 VanDerWaalsContact CD-O 3.28Å; P283-P346 WeakPolarHBondContact CD-O 3.49Å; P283-P346 VanDerWaalsContact CG-O 3.29Å; P283-P346 WeakPolarHBondContact CG-O 3.48Å; P283-D347 HydrophobicContact CB-CB 4.01Å
284	K	98.6	Very high	98.4	Very high	157 Å²	157	49.1 Å²	49.1	68%	0.683	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-67.4	-20.7	171	-65.8	172.6	-175.4	164.8	0	113.3	D282 V286 R318	D282-K284 PolarHBondContact O-N 2.89Å; D282-K284 VanDerWaalsContact OD1-CB 3.29Å; D282-K284 WeakPolarHBondContact OD1-CB 3.24Å; D282-K284 WeakPolarHBondContact OD1-CG 3.33Å; D282-K284 PolarHBondContact OD1-N 3.1Å; K284-V286 VanDerWaalsContact C-N 3.28Å; K284-R318 PolarHBondContact O-NH1 2.9Å; K284-R318 PolarHBondContact O-NH2 3Å
285	Q	98.8	Very high	98.5	Very high	41 Å²	41	48.9 Å²	48.9	19%	0.192	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-76.4	-16.9	176.3	-66.1	-178.3	-77.9	0	0	112.6	I244 E245 D246 V281 D282 P283 V287	I244-Q285 CarbonylContact C-O 3.58Å; I244-Q285 VanDerWaalsContact CA-O 3.27Å; I244-Q285 WeakPolarHBondContact CA-O 3.3Å; I244-Q285 HydrophobicContact CB-CB 4.27Å; E245-Q285 PolarHBondContact N-O 3.48Å; E245-Q285 VanDerWaalsContact O-CB 3.31Å; E245-Q285 WeakPolarHBondContact O-CB 3.34Å; E245-Q285 WeakPolarHBondContact O-CG 3.41Å; E245-Q285 PolarHBondContact O-NE2 3.28Å; D246-Q285 PolarHBondContact OD1-NE2 3.01Å; V281-Q285 HydrophobicContact CG1-CB 4.32Å; D282-Q285 HydrophobicContact CB-CG 4.16Å; D282-Q285 VanDerWaalsContact N-OE1 3.14Å; D282-Q285 VanDerWaalsContact O-CB 3.24Å; D282-Q285 WeakPolarHBondContact O-CB 3.3Å; D282-Q285 PolarHBondContact O-N 2.95Å; P283-Q285 PolarHBondContact O-N 3.19Å; Q285-V287 WeakPolarHBondContact O-CG2 3.31Å; Q285-V287 PolarHBondContact O-N 3.37Å
286	V	98.8	Very high	98.6	Very high	30 Å²	30	45.1 Å²	45.1	18%	0.182	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-67.3	125	-179.4	-179.2	0	0	0	0	110.8	L242 I244 P283 K284 T288 R318 P346	L242-V286 HydrophobicContact CD1-CG1 4.21Å; L242-V286 HydrophobicContact CD1-CG2 4.05Å; L242-V286 HydrophobicContact CD2-CG1 4.1Å; L242-V286 HydrophobicContact CD2-CG2 4.1Å; I244-V286 HydrophobicContact CG2-CG2 4.25Å; P283-V286 WeakPolarHBondContact O-CB 3.27Å; P283-V286 PolarHBondContact O-N 2.93Å; K284-V286 VanDerWaalsContact C-N 3.28Å; V286-T288 VanDerWaalsContact CG1-O 3.26Å; V286-T288 WeakPolarHBondContact CG1-O 3.41Å; V286-R318 PolarHBondContact O-NH1 2.91Å; V286-P346 HydrophobicContact CG2-CB 4.12Å; V286-P346 HydrophobicContact CG2-CG 4.11Å
287	V	98.9	Very high	98.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.253	C	S	.	.			trans	-104.8	-24.6	-176.4	-179.1	0	0	0	0	111.9	A243 E245 Q285 I316 Q317 R318 D320 I322 V366	A243-V287 PolarHBondContact O-N 3.17Å; E245-V287 HydrophobicContact CB-CG2 4.02Å; Q285-V287 WeakPolarHBondContact O-CG2 3.31Å; Q285-V287 PolarHBondContact O-N 3.37Å; V287-I316 HydrophobicContact CG1-CG2 4.08Å; V287-Q317 WeakPolarHBondContact O-CB 3.48Å; V287-Q317 PolarHBondContact O-N 3.11Å; V287-R318 HydrophobicContact CG1-CG 4.41Å; V287-D320 HydrophobicContact CG1-CB 3.9Å; V287-D320 HydrophobicContact CG2-CB 3.93Å; V287-I322 HydrophobicContact CB-CD1 4.39Å; V287-I322 HydrophobicContact CB-CG1 4.1Å; V287-I322 HydrophobicContact CG1-CD1 4.07Å; V287-I322 HydrophobicContact CG1-CG1 3.96Å; V287-I322 HydrophobicContact CG2-CG1 4.32Å; V287-V366 HydrophobicContact CG1-CG2 3.93Å
288	T	98.9	Very high	98.7	Very high	7 Å²	7	45.2 Å²	45.2	4%	0.043	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-114.9	172.8	-175.3	63.7	0	0	0	0	112.5	A243 V286 L314 Q315 I316 I322	A243-T288 HydrophobicContact CB-CG2 3.75Å; A243-T288 PolarHBondContact N-OG1 3.24Å; V286-T288 VanDerWaalsContact CG1-O 3.26Å; V286-T288 WeakPolarHBondContact CG1-O 3.41Å; T288-L314 HydrophobicContact CG2-CB 3.9Å; T288-Q315 VanDerWaalsContact CA-O 3.24Å; T288-Q315 WeakPolarHBondContact CA-O 3.43Å; T288-Q315 WeakPolarHBondContact CB-O 3.29Å; T288-I316 HydrophobicContact CG2-CG1 4.17Å; T288-I322 HydrophobicContact CG2-CD1 4.19Å
289	N	98.8	Very high	98.7	Very high	62 Å²	62	46.1 Å²	46.1	33%	0.332	24%	0.242	S	C	.	.			trans	-67.9	-177.1	155.1	66.8	-17.1	0	0	0	110.6	L314 Q315	N289-L314 WeakPolarHBondContact O-CD2 3.28Å; N289-L314 WeakPolarHBondContact OD1-CA 3.29Å; N289-Q315 PolarHBondContact N-O 3.12Å; N289-Q315 VanDerWaalsContact N-O 3.11Å; N289-Q315 PolarHBondContact OD1-N 2.84Å; N289-Q315 PolarHBondContact OD1-O 2.93Å
290	S	98.7	Very high	98.7	Very high	47 Å²	47	48.6 Å²	48.6	33%	0.329	26%	0.258	S	S	.	.			trans	-109.2	144.1	174.5	-48.6	0	0	0	0	110.8	V241 Y328	V241-S290 CarbonylContact O-C 3.56Å; V241-S290 WeakPolarHBondContact O-CA 3.24Å; S290-Y328 WeakPolarHBondContact CB-OH 3.42Å; S290-Y328 PolarHBondContact OG-OH 2.94Å; S290-Y328 VanDerWaalsContact OG-OH 3.09Å
291	C	98.9	Very high	98.7	Very high	26 Å²	26	45.2 Å²	45.2	18%	0.176	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.8	177	-170.5	0	0	0	0	110.1	Y240 V241 V293 F312 L314	Y240-C291 CarbonylContact C-O 3.54Å; Y240-C291 WeakPolarHBondContact CA-O 3.48Å; V241-C291 HydrophobicContact CG1-CB 4.04Å; V241-C291 PolarHBondContact N-O 2.92Å; V241-C291 PolarHBondContact O-N 3.49Å; C291-V293 PolarHBondContact O-N 2.65Å; C291-F312 HydrophobicContact CB-CB 4.01Å; C291-L314 HydrophobicContact CB-CD2 3.68Å
292	L	98.9	Very high	98.7	Very high	69 Å²	69	51.1 Å²	51.1	36%	0.361	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	122.9	173.6	176.3	69.5	0	0	0	108.8	Y240 K294	Y240-L292 HydrophobicContact CD1-CB 4.08Å; Y240-L292 HydrophobicContact CD1-CD1 4.37Å; Y240-L292 HydrophobicContact CE1-CB 3.8Å; Y240-L292 HydrophobicContact CE1-CD1 3.92Å; Y240-L292 HydrophobicContact CE1-CG 4.46Å; Y240-L292 HydrophobicContact CE2-CD1 4.23Å; L292-K294 WeakPolarHBondContact CD1-O 3.45Å
293	V	98.7	Very high	98.6	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.03	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-23.8	179.7	-65.8	0	0	0	0	112.9	L239 V241 C291 S310 F312 I376	L239-V293 HydrophobicContact CB-CG2 4.09Å; L239-V293 HydrophobicContact CD2-CG2 3.88Å; L239-V293 HydrophobicContact CG-CG2 3.81Å; L239-V293 VanDerWaalsContact O-CG2 3.28Å; L239-V293 WeakPolarHBondContact O-CG2 3.41Å; L239-V293 PolarHBondContact O-N 2.73Å; V241-V293 HydrophobicContact CB-CG1 4.18Å; V241-V293 HydrophobicContact CG1-CG1 3.59Å; C291-V293 PolarHBondContact O-N 2.65Å; V293-S310 WeakPolarHBondContact O-CB 3.45Å; V293-S310 PolarHBondContact O-OG 2.88Å; V293-F312 HydrophobicContact CG1-CB 4.02Å; V293-I376 HydrophobicContact CB-CG2 3.71Å; V293-I376 HydrophobicContact CG1-CG2 3.72Å; V293-I376 HydrophobicContact CG2-CG2 4.18Å
294	K	98.7	Very high	98.5	Very high	37 Å²	37	54.2 Å²	54.2	16%	0.161	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	134.4	174.6	-168.5	62.7	167.9	-176.2	0	111.1	F210 S238 L239 L292 V296 D305 F308	F210-K294 HydrophobicContact CE2-CG 4.24Å; F210-K294 HydrophobicContact CZ-CG 3.92Å; S238-K294 CarbonylContact C-O 3.35Å; S238-K294 VanDerWaalsContact CA-O 3.3Å; S238-K294 WeakPolarHBondContact CA-O 3.11Å; L239-K294 HydrophobicContact CB-CB 4Å; L239-K294 PolarHBondContact N-O 3.29Å; L239-K294 PolarHBondContact O-N 3.36Å; L292-K294 WeakPolarHBondContact CD1-O 3.45Å; K294-V296 HydrophobicContact CG-CG2 4.15Å; K294-D305 VanDerWaalsContact CE-O 3.32Å; K294-D305 WeakPolarHBondContact CE-O 3.39Å; K294-D305 PolarHBondContact NZ-O 3.4Å; K294-F308 HydrophobicContact CB-CE1 4.02Å; K294-F308 HydrophobicContact CB-CE2 4.03Å; K294-F308 HydrophobicContact CB-CZ 3.59Å; K294-F308 HydrophobicContact CD-CD1 3.67Å; K294-F308 HydrophobicContact CD-CD2 4.14Å; K294-F308 HydrophobicContact CD-CE1 3.64Å; K294-F308 HydrophobicContact CD-CE2 4.16Å; K294-F308 HydrophobicContact CD-CG 3.91Å; K294-F308 HydrophobicContact CD-CZ 3.93Å; K294-F308 HydrophobicContact CG-CD1 4.19Å; K294-F308 HydrophobicContact CG-CE1 3.63Å; K294-F308 HydrophobicContact CG-CE2 4.38Å; K294-F308 HydrophobicContact CG-CZ 3.78Å
295	E	98.6	Very high	98.4	Very high	108 Å²	108	50.1 Å²	50.1	51%	0.505	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141.1	165.3	-169.5	173.2	176.4	0	0	108.7	R236	R236-E295 WeakPolarHBondContact CD-OE1 3.27Å
296	V	98.8	Very high	98.3	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	111.1	-179.2	-178.3	0	0	0	0	108	F210 L215 R236 A237 K294 I298 V301	F210-V296 HydrophobicContact CE1-CG2 3.9Å; F210-V296 HydrophobicContact CZ-CG2 3.67Å; L215-V296 HydrophobicContact CD2-CG1 4.12Å; R236-V296 WeakPolarHBondContact CA-O 3.1Å; A237-V296 HydrophobicContact CB-CB 4.3Å; A237-V296 PolarHBondContact N-O 3.5Å; A237-V296 PolarHBondContact O-N 3.22Å; K294-V296 HydrophobicContact CG-CG2 4.15Å; V296-I298 HydrophobicContact CG1-CG1 4.06Å; V296-V301 HydrophobicContact CG1-CB 4.08Å; V296-V301 HydrophobicContact CG1-CG1 3.84Å; V296-V301 HydrophobicContact CG1-CG2 4.18Å
297	D	98.8	Very high	98.2	Very high	66 Å²	66	50.3 Å²	50.3	35%	0.353	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	108.8	160.1	171.8	14.9	0	0	0	108.2	Y299 T300 V301	D297-Y299 PolarHBondContact O-N 2.94Å; D297-Y299 WeakPolarHBondContact OD1-CB 3.3Å; D297-Y299 VanDerWaalsContact OD1-CD2 3.31Å; D297-Y299 WeakPolarHBondContact OD1-CD2 3.42Å; D297-Y299 PolarHBondContact OD1-N 3.22Å; D297-Y299 VanDerWaalsContact OD1-N 3.07Å; D297-T300 VanDerWaalsContact CG-OG1 3.32Å; D297-T300 PolarHBondContact O-N 2.88Å; D297-T300 VanDerWaalsContact O-N 3.1Å; D297-T300 PolarHBondContact O-OG1 2.9Å; D297-T300 WeakPolarHBondContact OD2-CG2 3.4Å; D297-T300 PolarHBondContact OD2-OG1 3.37Å; D297-V301 WeakPolarHBondContact O-CB 3.43Å; D297-V301 PolarHBondContact O-N 2.9Å
298	I	98.8	Very high	98.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.9	-171.6	-49.5	177.2	0	0	0	110.9	W204 L215 V218 R222 M232 P234 D235 V296 T300	W204-I298 HydrophobicContact CZ2-CD1 3.58Å; W204-I298 HydrophobicContact CZ2-CG1 4.33Å; L215-I298 HydrophobicContact CD1-CG2 4.22Å; V218-I298 HydrophobicContact CG1-CG2 4.1Å; R222-I298 VanDerWaalsContact CD-O 3.3Å; R222-I298 WeakPolarHBondContact CD-O 3.29Å; R222-I298 PolarHBondContact NH1-O 3.23Å; M232-I298 HydrophobicContact CE-CB 4.36Å; M232-I298 HydrophobicContact CE-CG2 3.35Å; M232-I298 HydrophobicContact SD-CB 4.26Å; M232-I298 HydrophobicContact SD-CG2 3.81Å; P234-I298 HydrophobicContact CG-CD1 4.36Å; P234-I298 WeakPolarHBondContact O-CD1 3.4Å; D235-I298 WeakPolarHBondContact O-CG1 3.29Å; D235-I298 PolarHBondContact O-N 2.89Å; V296-I298 HydrophobicContact CG1-CG1 4.06Å; I298-T300 VanDerWaalsContact C-N 3.33Å; I298-T300 PolarHBondContact O-N 3.28Å
299	Y	98.8	Very high	98.2	Very high	57 Å²	57	55.3 Å²	55.3	22%	0.224	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-28.2	174.3	-66.5	-70.8	0	0	0	113.6	R222 G230 L231 M232 D235 D297 K335	R222-Y299 PolarHBondContact NH1-O 3.27Å; G230-Y299 WeakPolarHBondContact O-CE1 3.29Å; L231-Y299 WeakPolarHBondContact CA-OH 3.42Å; M232-Y299 HydrophobicContact CB-CE1 4.06Å; M232-Y299 HydrophobicContact CG-CD1 4.05Å; M232-Y299 HydrophobicContact CG-CE1 3.69Å; M232-Y299 PolarHBondContact N-OH 3.03Å; M232-Y299 VanDerWaalsContact N-OH 3.14Å; M232-Y299 HydrophobicContact SD-CD1 4.03Å; M232-Y299 HydrophobicContact SD-CE1 4.28Å; D235-Y299 HydrophobicContact CB-CD2 4.14Å; D235-Y299 HydrophobicContact CB-CE2 3.41Å; D235-Y299 VanDerWaalsContact CB-CE2 3.41Å; D297-Y299 PolarHBondContact O-N 2.94Å; D297-Y299 WeakPolarHBondContact OD1-CB 3.3Å; D297-Y299 VanDerWaalsContact OD1-CD2 3.31Å; D297-Y299 WeakPolarHBondContact OD1-CD2 3.42Å; D297-Y299 PolarHBondContact OD1-N 3.22Å; D297-Y299 VanDerWaalsContact OD1-N 3.07Å; Y299-K335 WeakPolarHBondContact OH-CE 3.28Å
300	T	98.6	Very high	98.2	Very high	90 Å²	90	53.8 Å²	53.8	55%	0.552	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	-22.3	-166.5	57.4	0	0	0	0	114.2	D297 I298	D297-T300 VanDerWaalsContact CG-OG1 3.32Å; D297-T300 PolarHBondContact O-N 2.88Å; D297-T300 VanDerWaalsContact O-N 3.1Å; D297-T300 PolarHBondContact O-OG1 2.9Å; D297-T300 WeakPolarHBondContact OD2-CG2 3.4Å; D297-T300 PolarHBondContact OD2-OG1 3.37Å; I298-T300 VanDerWaalsContact C-N 3.33Å; I298-T300 PolarHBondContact O-N 3.28Å
301	V	98.4	Very high	98.2	Very high	8 Å²	8	55.2 Å²	55.2	5%	0.048	31%	0.309	C	S	.	.			trans	-57.7	141	-179.6	70.8	0	0	0	0	112	I219 R222 V296 D297 D305 L306	I219-V301 HydrophobicContact CD1-CG1 3.96Å; I219-V301 HydrophobicContact CG1-CG1 4.1Å; R222-V301 PolarHBondContact NH1-O 3.45Å; R222-V301 PolarHBondContact NH2-O 3.23Å; R222-V301 VanDerWaalsContact NH2-O 3.1Å; V296-V301 HydrophobicContact CG1-CB 4.08Å; V296-V301 HydrophobicContact CG1-CG1 3.84Å; V296-V301 HydrophobicContact CG1-CG2 4.18Å; D297-V301 WeakPolarHBondContact O-CB 3.43Å; D297-V301 PolarHBondContact O-N 2.9Å; V301-D305 HydrophobicContact CG2-CB 3.89Å; V301-L306 HydrophobicContact CG2-CD2 3.73Å
302	K	98.3	Very high	98.2	Very high	127 Å²	127	54.4 Å²	54.4	55%	0.552	30%	0.302	S	S	*	.			trans	-111.3	159	174.5	-59.2	179.7	-176.8	177.6	0	110.5	D304 D305	K302-D304 PolarHBondContact O-N 2.96Å; K302-D305 WeakPolarHBondContact CB-OD2 3.29Å; K302-D305 PolarHBondContact N-OD2 2.97Å; K302-D305 WeakPolarHBondContact O-CB 3.38Å; K302-D305 PolarHBondContact O-N 2.87Å
303	P	96.1	Very high	98.2	Very high	61 Å²	61	53.5 Å²	53.5	40%	0.396	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-55.8	-38.3	177.8	-26.9	37.9	0	0	0	112.9	I219 D305 L306	I219-P303 HydrophobicContact CD1-CG 4.42Å; I219-P303 HydrophobicContact CG2-CG 4.12Å; P303-D305 PolarHBondContact O-N 2.62Å; P303-L306 WeakPolarHBondContact O-CB 3.33Å; P303-L306 PolarHBondContact O-N 2.94Å
304	D	96.3	Very high	98.2	Very high	139 Å²	139	53.2 Å²	53.2	74%	0.743	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-62.9	-26.5	178.1	-63.8	-14.1	0	0	0	112.7	K302 L306	K302-D304 PolarHBondContact O-N 2.96Å; D304-L306 PolarHBondContact O-N 2.97Å
305	D	97.2	Very high	98.2	Very high	71 Å²	71	55.3 Å²	55.3	38%	0.38	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-75	-14.3	177.7	-56.6	-43.8	0	0	0	112.2	K294 V301 K302 P303 S307	K294-D305 VanDerWaalsContact CE-O 3.32Å; K294-D305 WeakPolarHBondContact CE-O 3.39Å; K294-D305 PolarHBondContact NZ-O 3.4Å; V301-D305 HydrophobicContact CG2-CB 3.89Å; K302-D305 WeakPolarHBondContact CB-OD2 3.29Å; K302-D305 PolarHBondContact N-OD2 2.97Å; K302-D305 WeakPolarHBondContact O-CB 3.38Å; K302-D305 PolarHBondContact O-N 2.87Å; P303-D305 PolarHBondContact O-N 2.62Å; D305-S307 VanDerWaalsContact C-N 3.34Å
306	L	96.1	Very high	98.2	Very high	15 Å²	15	50.2 Å²	50.2	8%	0.079	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-81.7	-16.2	-177.6	-54.2	-173.8	0	0	0	112.7	F210 L215 N216 I219 V301 P303 D304	F210-L306 HydrophobicContact CD1-CD2 4.5Å; F210-L306 HydrophobicContact CE1-CD2 4.03Å; L215-L306 HydrophobicContact CB-CD1 4.27Å; L215-L306 HydrophobicContact CD2-CD1 3.92Å; L215-L306 HydrophobicContact CD2-CD2 3.6Å; L215-L306 HydrophobicContact CD2-CG 4.44Å; L215-L306 HydrophobicContact CG-CD1 4.1Å; N216-L306 WeakPolarHBondContact OD1-CD1 3.25Å; I219-L306 HydrophobicContact CD1-CD1 4.09Å; V301-L306 HydrophobicContact CG2-CD2 3.73Å; P303-L306 WeakPolarHBondContact O-CB 3.33Å; P303-L306 PolarHBondContact O-N 2.94Å; D304-L306 PolarHBondContact O-N 2.97Å
307	S	97.6	Very high	98.2	Very high	61 Å²	61	54.1 Å²	54.1	43%	0.427	30%	0.304	S	S	.	.	S	Bend	trans	-92.9	113.7	164.2	-61.9	0	0	0	0	108.7	D305 M378 P380	D305-S307 VanDerWaalsContact C-N 3.34Å; S307-M378 WeakPolarHBondContact CA-O 3.33Å; S307-P380 VanDerWaalsContact OG-CD 3.24Å; S307-P380 WeakPolarHBondContact OG-CD 3.44Å
308	F	98.4	Very high	98.2	Very high	22 Å²	22	55.2 Å²	55.2	10%	0.096	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	158.7	-173.7	67.2	-92.6	0	0	0	112.9	F210 L239 K294 T377 M378	F210-F308 HydrophobicContact CE2-CE1 4.2Å; L239-F308 HydrophobicContact CD2-CZ 4.39Å; K294-F308 HydrophobicContact CB-CE1 4.02Å; K294-F308 HydrophobicContact CB-CE2 4.03Å; K294-F308 HydrophobicContact CB-CZ 3.59Å; K294-F308 HydrophobicContact CD-CD1 3.67Å; K294-F308 HydrophobicContact CD-CD2 4.14Å; K294-F308 HydrophobicContact CD-CE1 3.64Å; K294-F308 HydrophobicContact CD-CE2 4.16Å; K294-F308 HydrophobicContact CD-CG 3.91Å; K294-F308 HydrophobicContact CD-CZ 3.93Å; K294-F308 HydrophobicContact CG-CD1 4.19Å; K294-F308 HydrophobicContact CG-CE1 3.63Å; K294-F308 HydrophobicContact CG-CE2 4.38Å; K294-F308 HydrophobicContact CG-CZ 3.78Å; F308-T377 CarbonylContact O-C 3.4Å; F308-T377 VanDerWaalsContact O-CA 3.27Å; F308-T377 WeakPolarHBondContact O-CA 3.45Å; F308-M378 HydrophobicContact CD1-CE 4.22Å; F308-M378 HydrophobicContact CE1-CB 4.44Å; F308-M378 HydrophobicContact CE1-CE 3.22Å; F308-M378 HydrophobicContact CZ-CB 4.32Å; F308-M378 HydrophobicContact CZ-CE 3.61Å; F308-M378 PolarHBondContact N-O 3Å; F308-M378 PolarHBondContact O-N 3.14Å
309	T	98.7	Very high	98.2	Very high	90 Å²	90	57.6 Å²	57.6	55%	0.552	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.4	163	-58.1	0	0	0	0	108.1	I376 T377	T309-I376 CarbonylContact C-O 3.52Å; T309-I376 VanDerWaalsContact CA-O 3.29Å; T309-I376 WeakPolarHBondContact CA-O 3.45Å; T309-T377 WeakPolarHBondContact CB-OG1 3.26Å; T309-T377 VanDerWaalsContact CG2-OG1 3.3Å; T309-T377 WeakPolarHBondContact CG2-OG1 3.04Å; T309-T377 WeakPolarHBondContact OG1-CG2 3.24Å; T309-T377 PolarHBondContact OG1-OG1 2.9Å
310	S	98.6	Very high	98.2	Very high	29 Å²	29	56.1 Å²	56.1	20%	0.203	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	132	-179.2	-167	0	0	0	0	110.7	V293 S375 I376	V293-S310 WeakPolarHBondContact O-CB 3.45Å; V293-S310 PolarHBondContact O-OG 2.88Å; S310-S375 CarbonylContact O-C 3.51Å; S310-S375 VanDerWaalsContact O-CA 3.26Å; S310-S375 WeakPolarHBondContact O-CA 3.13Å; S310-I376 PolarHBondContact N-O 3.23Å; S310-I376 PolarHBondContact O-N 3.49Å
311	A	98.6	Very high	98.2	Very high	78 Å²	78	52.4 Å²	52.4	65%	0.645	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	146.2	175.1	0	0	0	0	0	110.3	G374	A311-G374 CarbonylContact C-O 3.52Å; A311-G374 VanDerWaalsContact CA-O 3.23Å; A311-G374 WeakPolarHBondContact CA-O 3.42Å
312	F	98.7	Very high	98.2	Very high	8 Å²	8	52 Å²	52	4%	0.035	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	152.1	171.5	64.4	-98.7	0	0	0	111.2	V241 C291 V293 L314 L325 I372 T373 G374 F392	V241-F312 HydrophobicContact CG1-CB 3.77Å; V241-F312 HydrophobicContact CG1-CD1 4.29Å; V241-F312 HydrophobicContact CG1-CD2 4.32Å; V241-F312 HydrophobicContact CG1-CG 3.88Å; C291-F312 HydrophobicContact CB-CB 4.01Å; V293-F312 HydrophobicContact CG1-CB 4.02Å; F312-L314 HydrophobicContact CD2-CD1 4.17Å; F312-L314 HydrophobicContact CD2-CG 3.99Å; F312-L314 HydrophobicContact CE2-CD1 4.25Å; F312-L314 HydrophobicContact CE2-CG 4.49Å; F312-L325 HydrophobicContact CZ-CD1 4.11Å; F312-I372 HydrophobicContact CE2-CG2 4.16Å; F312-T373 WeakPolarHBondContact O-CA 3.4Å; F312-G374 PolarHBondContact N-O 3.04Å; F312-G374 PolarHBondContact O-N 2.91Å; F312-F392 AromaticContact CE1-CD1 3.85Å; F312-F392 HydrophobicContact CE1-CD1 3.85Å; F312-F392 HydrophobicContact CE1-CE1 4.15Å; F312-F392 HydrophobicContact CZ-CD1 4.26Å
313	C	98.7	Very high	98.2	Very high	50 Å²	50	46.3 Å²	46.3	34%	0.338	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126	168	-178.7	0	0	0	0	108.9	I372 T373	C313-I372 CarbonylContact C-O 3.55Å; C313-I372 WeakPolarHBondContact CA-O 3.44Å; C313-T373 HydrophobicContact CB-CG2 4.42Å
314	L	98.9	Very high	98.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	116.2	-179.1	-60.6	176	0	0	0	109.6	V241 A243 T288 N289 C291 F312 L325 E371 I372	V241-L314 HydrophobicContact CG1-CD2 4.27Å; V241-L314 WeakPolarHBondContact O-CD2 3.09Å; A243-L314 HydrophobicContact CB-CD1 4.13Å; T288-L314 HydrophobicContact CG2-CB 3.9Å; N289-L314 WeakPolarHBondContact O-CD2 3.28Å; N289-L314 WeakPolarHBondContact OD1-CA 3.29Å; C291-L314 HydrophobicContact CB-CD2 3.68Å; F312-L314 HydrophobicContact CD2-CD1 4.17Å; F312-L314 HydrophobicContact CD2-CG 3.99Å; F312-L314 HydrophobicContact CE2-CD1 4.25Å; F312-L314 HydrophobicContact CE2-CG 4.49Å; L314-L325 HydrophobicContact CD1-CD2 4.07Å; L314-E371 WeakPolarHBondContact O-CA 3.21Å; L314-I372 HydrophobicContact CB-CB 4.3Å; L314-I372 PolarHBondContact N-O 3.33Å; L314-I372 PolarHBondContact O-N 3.42Å
315	Q	98.8	Very high	98.5	Very high	80 Å²	80	36.8 Å²	36.8	37%	0.374	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.7	176.5	-171.8	-178.8	34.9	0	0	110.2	T288 N289 Q317	T288-Q315 VanDerWaalsContact CA-O 3.24Å; T288-Q315 WeakPolarHBondContact CA-O 3.43Å; T288-Q315 WeakPolarHBondContact CB-O 3.29Å; N289-Q315 PolarHBondContact N-O 3.12Å; N289-Q315 VanDerWaalsContact N-O 3.11Å; N289-Q315 PolarHBondContact OD1-N 2.84Å; N289-Q315 PolarHBondContact OD1-O 2.93Å; Q315-Q317 PolarHBondContact O-N 2.95Å; Q315-Q317 PolarHBondContact O-NE2 2.87Å
316	I	98.8	Very high	98.5	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-72.9	125	178.9	-68.9	92.6	0	0	0	110.8	V287 T288 R318 I322 V366 R367 G369 E370 I372 F396	V287-I316 HydrophobicContact CG1-CG2 4.08Å; T288-I316 HydrophobicContact CG2-CG1 4.17Å; I316-R318 WeakPolarHBondContact CG2-O 3.45Å; I316-I322 HydrophobicContact CG1-CD1 4.33Å; I316-V366 HydrophobicContact CB-CG2 4.48Å; I316-V366 HydrophobicContact CD1-CB 4.42Å; I316-V366 HydrophobicContact CD1-CG1 4.48Å; I316-V366 HydrophobicContact CG1-CB 3.88Å; I316-V366 HydrophobicContact CG1-CG1 4.25Å; I316-V366 HydrophobicContact CG1-CG2 3.93Å; I316-V366 HydrophobicContact CG2-CB 4.11Å; I316-V366 HydrophobicContact CG2-CG2 3.66Å; I316-R367 WeakPolarHBondContact CB-O 3.34Å; I316-R367 VanDerWaalsContact CG2-O 3.24Å; I316-R367 WeakPolarHBondContact CG2-O 3.48Å; I316-G369 PolarHBondContact O-N 2.73Å; I316-E370 HydrophobicContact CD1-CB 4.01Å; I316-E370 WeakPolarHBondContact CD1-O 3.49Å; I316-E370 PolarHBondContact N-O 3.37Å; I316-I372 HydrophobicContact CD1-CD1 4.43Å; I316-I372 HydrophobicContact CD1-CG1 3.95Å; I316-F396 HydrophobicContact CD1-CE2 4.02Å
317	Q	98.7	Very high	98.7	Very high	83 Å²	83	32.7 Å²	32.7	39%	0.388	19%	0.185	S	C	.	.			trans	-92.7	-21.4	-175.5	-58.1	-56.7	-43.4	0	0	113.2	V287 Q315 R368	V287-Q317 WeakPolarHBondContact O-CB 3.48Å; V287-Q317 PolarHBondContact O-N 3.11Å; Q315-Q317 PolarHBondContact O-N 2.95Å; Q315-Q317 PolarHBondContact O-NE2 2.87Å; Q317-R368 VanDerWaalsContact O-CD 3.3Å; Q317-R368 WeakPolarHBondContact O-CD 3.37Å; Q317-R368 WeakPolarHBondContact O-CG 3.36Å; Q317-R368 PolarHBondContact O-NE 3.03Å
318	R	98.6	Very high	98.7	Very high	89 Å²	89	30.7 Å²	30.7	34%	0.336	17%	0.168	S	C	.	.	S	Bend	trans	-151.1	157.1	178.7	66.5	179.9	-167.7	-137.9	8.6	111.9	K284 V286 V287 I316 D320	K284-R318 PolarHBondContact O-NH1 2.9Å; K284-R318 PolarHBondContact O-NH2 3Å; V286-R318 PolarHBondContact O-NH1 2.91Å; V287-R318 HydrophobicContact CG1-CG 4.41Å; I316-R318 WeakPolarHBondContact CG2-O 3.45Å; R318-D320 HydrophobicContact CG-CB 4.33Å; R318-D320 IonicContact CZ-OD2 3.85Å; R318-D320 IonicContact NE-OD2 2.81Å; R318-D320 PolarHBondContact NE-OD2 2.88Å; R318-D320 IonicContact NH2-OD2 2.93Å; R318-D320 PolarHBondContact NH2-OD2 2.81Å; R318-D320 PolarHBondContact O-N 2.93Å
319	N	98.8	Very high	98.8	Very high	51 Å²	51	29.7 Å²	29.7	27%	0.273	16%	0.164	S	C	.	.	S	Bend	trans	-67.2	122.8	172	-57.3	-12.9	0	0	0	108.8	V366 R367 R368	N319-V366 WeakPolarHBondContact CA-O 3.33Å; N319-R367 WeakPolarHBondContact OD1-CA 3.4Å; N319-R368 PolarHBondContact OD1-N 3.01Å
320	D	98.7	Very high	98.8	Very high	25 Å²	25	27.1 Å²	27.1	13%	0.134	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	-172.4	-177	-141.1	-27.7	0	0	0	112	E245 V287 R318 V366	E245-D320 WeakPolarHBondContact CG-OD1 3.33Å; V287-D320 HydrophobicContact CG1-CB 3.9Å; V287-D320 HydrophobicContact CG2-CB 3.93Å; R318-D320 HydrophobicContact CG-CB 4.33Å; R318-D320 IonicContact CZ-OD2 3.85Å; R318-D320 IonicContact NE-OD2 2.81Å; R318-D320 PolarHBondContact NE-OD2 2.88Å; R318-D320 IonicContact NH2-OD2 2.93Å; R318-D320 PolarHBondContact NH2-OD2 2.81Å; R318-D320 PolarHBondContact O-N 2.93Å; D320-V366 PolarHBondContact N-O 3.25Å; D320-V366 VanDerWaalsContact N-O 3.16Å; D320-V366 WeakPolarHBondContact O-CG2 3.34Å; D320-V366 PolarHBondContact O-N 3.49Å
321	Y	98.7	Very high	98.8	Very high	12 Å²	12	25.8 Å²	25.8	5%	0.047	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	137.9	166.8	-60.3	-78.3	0	0	0	111	R13 E245 H323 Y363 L364 T365	R13-Y321 HydrophobicContact CG-CE2 4.48Å; E245-Y321 VanDerWaalsContact CA-O 3.3Å; E245-Y321 WeakPolarHBondContact CA-O 3.39Å; E245-Y321 VanDerWaalsContact CB-O 3.26Å; E245-Y321 WeakPolarHBondContact CB-O 3.14Å; E245-Y321 WeakPolarHBondContact CG-O 3.39Å; Y321-H323 VanDerWaalsContact CB-CE1 3.47Å; Y321-H323 WeakPolarHBondContact CB-CE1 3.3Å; Y321-Y363 AromaticContact CD1-CD2 3.65Å; Y321-Y363 HydrophobicContact CD1-CD2 3.65Å; Y321-Y363 AromaticContact CD1-CE2 3.8Å; Y321-Y363 HydrophobicContact CD1-CE2 3.8Å; Y321-Y363 HydrophobicContact CE1-CD2 4.3Å; Y321-Y363 AromaticContact CE1-CE2 3.96Å; Y321-Y363 HydrophobicContact CE1-CE2 3.96Å; Y321-Y363 HydrophobicContact CG-CD2 4.47Å; Y321-L364 CarbonylContact C-O 3.52Å; Y321-L364 VanDerWaalsContact CA-O 3.24Å; Y321-L364 WeakPolarHBondContact CA-O 3.4Å; Y321-T365 HydrophobicContact CD1-CG2 4.23Å; Y321-T365 HydrophobicContact CE1-CG2 3.79Å; Y321-T365 WeakPolarHBondContact CE1-OG1 3.36Å
322	I	98.8	Very high	98.8	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124	175.5	-67.5	173.9	0	0	0	109.3	A243 I244 V287 T288 I316 L360 Y363 L364 V366 I372	A243-I322 HydrophobicContact CB-CD1 3.91Å; A243-I322 HydrophobicContact CB-CG1 4.33Å; A243-I322 HydrophobicContact CB-CG2 3.78Å; I244-I322 WeakPolarHBondContact O-CA 3.41Å; V287-I322 HydrophobicContact CB-CD1 4.39Å; V287-I322 HydrophobicContact CB-CG1 4.1Å; V287-I322 HydrophobicContact CG1-CD1 4.07Å; V287-I322 HydrophobicContact CG1-CG1 3.96Å; V287-I322 HydrophobicContact CG2-CG1 4.32Å; T288-I322 HydrophobicContact CG2-CD1 4.19Å; I316-I322 HydrophobicContact CG1-CD1 4.33Å; I322-L360 HydrophobicContact CG2-CD1 4.24Å; I322-Y363 CarbonylContact O-C 3.57Å; I322-Y363 WeakPolarHBondContact O-CA 3.49Å; I322-Y363 WeakPolarHBondContact O-CB 3.46Å; I322-L364 HydrophobicContact CB-CB 4.2Å; I322-L364 PolarHBondContact N-O 3.47Å; I322-L364 PolarHBondContact O-N 2.88Å; I322-V366 HydrophobicContact CD1-CB 4.49Å; I322-V366 HydrophobicContact CD1-CG1 3.81Å; I322-V366 HydrophobicContact CD1-CG2 3.96Å; I322-V366 HydrophobicContact CG1-CG1 4.31Å; I322-V366 HydrophobicContact CG1-CG2 4.11Å; I322-I372 HydrophobicContact CD1-CD1 3.5Å
323	H	98.8	Very high	98.8	Very high	8 Å²	8	23.8 Å²	23.8	4%	0.037	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-24.3	-176	-61.2	85.7	0	0	0	112.9	I244 E245 D246 R247 K250 Y321 L360	I244-H323 PolarHBondContact O-N 3.31Å; E245-H323 IonicContact OE1-CE1 2.84Å; E245-H323 PolarHBondContact OE1-CE1 3.43Å; E245-H323 IonicContact OE1-ND1 3.69Å; D246-H323 HydrophobicContact CB-CB 4.39Å; D246-H323 PolarHBondContact N-ND1 2.88Å; D246-H323 VanDerWaalsContact N-ND1 3.17Å; R247-H323 WeakPolarHBondContact CB-NE2 3.38Å; K250-H323 HydrophobicContact CD-CB 4.41Å; Y321-H323 VanDerWaalsContact CB-CE1 3.47Å; Y321-H323 WeakPolarHBondContact CB-CE1 3.3Å; H323-L360 PolarHBondContact O-N 3.03Å
324	A	98.7	Very high	98.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	154.9	-177.4	0	0	0	0	0	111.7	A243 I244 V357 F358 Y359	A243-A324 WeakPolarHBondContact CA-O 3.24Å; I244-A324 HydrophobicContact CD1-CB 4.3Å; I244-A324 HydrophobicContact CG1-CB 3.93Å; I244-A324 PolarHBondContact N-O 2.98Å; A324-V357 HydrophobicContact CB-CG1 3.53Å; A324-F358 CarbonylContact C-O 3.58Å; A324-F358 WeakPolarHBondContact CA-O 3.24Å; A324-F358 VanDerWaalsContact CB-O 3.3Å; A324-F358 WeakPolarHBondContact CB-O 3.33Å; A324-Y359 HydrophobicContact CB-CD1 3.75Å; A324-Y359 HydrophobicContact CB-CE1 4.13Å; A324-Y359 HydrophobicContact CB-CG 4.46Å
325	L	98.8	Very high	98.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	153.4	158.6	-59	177.8	0	0	0	108.9	V241 L242 A243 F312 L314 F358 F392 L394	V241-L325 HydrophobicContact CG2-CB 4.19Å; L242-L325 CarbonylContact O-C 3.52Å; L242-L325 WeakPolarHBondContact O-CA 3.46Å; A243-L325 HydrophobicContact CB-CD2 3.85Å; F312-L325 HydrophobicContact CZ-CD1 4.11Å; L314-L325 HydrophobicContact CD1-CD2 4.07Å; L325-F358 HydrophobicContact CB-CB 4.42Å; L325-F358 PolarHBondContact N-O 3.25Å; L325-F358 PolarHBondContact O-N 3.5Å; L325-F392 HydrophobicContact CB-CE1 4.47Å; L325-F392 HydrophobicContact CD1-CB 4.49Å; L325-F392 HydrophobicContact CD1-CD1 3.32Å; L325-F392 HydrophobicContact CD1-CE1 3.54Å; L325-F392 HydrophobicContact CD1-CG 3.97Å; L325-F392 HydrophobicContact CD1-CZ 4.35Å; L325-L394 HydrophobicContact CD1-CD1 4.27Å; L325-L394 HydrophobicContact CD2-CD1 4.37Å
326	V	98.9	Very high	98.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	133.7	179.3	-178.8	0	0	0	0	109	V241 L242 I244 V281 Q355 T356 V357	V241-V326 CarbonylContact C-O 3.51Å; V241-V326 VanDerWaalsContact CA-O 3.3Å; V241-V326 WeakPolarHBondContact CA-O 3.41Å; L242-V326 HydrophobicContact CD1-CB 3.65Å; L242-V326 HydrophobicContact CD1-CG1 4.4Å; L242-V326 HydrophobicContact CD1-CG2 4.01Å; L242-V326 HydrophobicContact CG-CB 4.21Å; L242-V326 PolarHBondContact N-O 2.89Å; L242-V326 PolarHBondContact O-N 3.2Å; I244-V326 HydrophobicContact CB-CG2 4.34Å; I244-V326 HydrophobicContact CD1-CG2 3.63Å; I244-V326 HydrophobicContact CG1-CG2 3.79Å; I244-V326 HydrophobicContact CG2-CG2 3.6Å; V281-V326 HydrophobicContact CG2-CG1 4.17Å; V281-V326 HydrophobicContact CG2-CG2 4.21Å; V326-Q355 HydrophobicContact CG1-CB 3.53Å; V326-Q355 HydrophobicContact CG1-CG 4.16Å; V326-T356 CarbonylContact C-O 3.44Å; V326-T356 VanDerWaalsContact CA-O 3.24Å; V326-T356 WeakPolarHBondContact CA-O 3.15Å; V326-V357 HydrophobicContact CG2-CG1 4.49Å; V326-V357 HydrophobicContact CG2-CG2 4.27Å
327	T	98.9	Very high	98.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	145.2	167.9	66.9	0	0	0	0	111.4	S208 Y240 V241 T356 F358 I376 F392	S208-T327 PolarHBondContact OG-OG1 3.41Å; Y240-T327 VanDerWaalsContact O-CA 3.24Å; Y240-T327 WeakPolarHBondContact O-CA 3.38Å; Y240-T327 WeakPolarHBondContact O-CB 3.38Å; V241-T327 HydrophobicContact CG2-CG2 4.46Å; T327-T356 PolarHBondContact N-O 2.9Å; T327-T356 PolarHBondContact O-N 2.85Å; T327-T356 WeakPolarHBondContact OG1-CB 3.47Å; T327-F358 HydrophobicContact CG2-CD2 4.37Å; T327-F358 HydrophobicContact CG2-CE2 3.64Å; T327-F358 HydrophobicContact CG2-CZ 4.34Å; T327-I376 HydrophobicContact CG2-CD1 4.32Å; T327-F392 HydrophobicContact CG2-CZ 4.33Å
328	Y	98.9	Very high	98.7	Very high	18 Å²	18	36.5 Å²	36.5	7%	0.071	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	166.2	172.5	72.2	-88.7	0	0	0	108.4	Y240 L242 S290 A345	Y240-Y328 VanDerWaalsContact CB-CE1 3.47Å; Y240-Y328 HydrophobicContact CD2-CD2 4.37Å; Y240-Y328 AromaticContact CD2-CE2 3.73Å; Y240-Y328 HydrophobicContact CD2-CE2 3.73Å; Y240-Y328 HydrophobicContact CG-CE1 4.32Å; Y240-Y328 AromaticContact CG-CE2 3.94Å; Y240-Y328 HydrophobicContact CG-CE2 3.94Å; Y240-Y328 AromaticContact CG-CZ 3.71Å; Y240-Y328 PolarHBondContact N-O 2.89Å; Y240-Y328 PolarHBondContact O-N 3.32Å; L242-Y328 HydrophobicContact CD2-CD1 4.03Å; L242-Y328 HydrophobicContact CD2-CE1 3.71Å; L242-Y328 HydrophobicContact CG-CD1 4.46Å; L242-Y328 HydrophobicContact CG-CE1 4.3Å; S290-Y328 WeakPolarHBondContact CB-OH 3.42Å; S290-Y328 PolarHBondContact OG-OH 2.94Å; S290-Y328 VanDerWaalsContact OG-OH 3.09Å; Y328-A345 HydrophobicContact CD1-CB 4.49Å; Y328-A345 VanDerWaalsContact CD2-CA 3.46Å; Y328-A345 HydrophobicContact CD2-CB 3.5Å; Y328-A345 HydrophobicContact CE1-CB 4.47Å; Y328-A345 HydrophobicContact CE2-CB 3.48Å; Y328-A345 VanDerWaalsContact CE2-CB 3.48Å; Y328-A345 HydrophobicContact CG-CB 4.03Å
329	F	98.9	Very high	98.6	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.009	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	160.5	-178.4	63.5	-94.4	0	0	0	113.5	M205 L209 S238 L239 I331 F342 T344 W353	M205-F329 HydrophobicContact CB-CE2 4.09Å; M205-F329 HydrophobicContact CB-CZ 3.96Å; M205-F329 HydrophobicContact CG-CE2 4.19Å; L209-F329 HydrophobicContact CB-CB 4.04Å; L209-F329 HydrophobicContact CB-CD1 3.86Å; L209-F329 HydrophobicContact CB-CG 3.98Å; L209-F329 HydrophobicContact CD1-CB 4.25Å; L209-F329 HydrophobicContact CD1-CD1 4.36Å; L209-F329 HydrophobicContact CD1-CD2 3.83Å; L209-F329 HydrophobicContact CD1-CE2 4.22Å; L209-F329 HydrophobicContact CD1-CG 3.9Å; L209-F329 HydrophobicContact CD2-CB 4.21Å; L209-F329 HydrophobicContact CG-CB 4.41Å; L209-F329 HydrophobicContact CG-CG 4.42Å; S238-F329 CarbonylContact O-C 3.53Å; S238-F329 WeakPolarHBondContact O-CA 3.24Å; S238-F329 WeakPolarHBondContact O-CB 3.4Å; L239-F329 HydrophobicContact CD1-CB 4.21Å; F329-I331 HydrophobicContact CD2-CD1 3.81Å; F329-I331 HydrophobicContact CD2-CG1 3.74Å; F329-I331 HydrophobicContact CE2-CD1 4Å; F329-I331 HydrophobicContact CE2-CG1 3.72Å; F329-F342 HydrophobicContact CE2-CE2 4.26Å; F329-T344 HydrophobicContact CD1-CG2 4.34Å; F329-T344 HydrophobicContact CD2-CG2 4.07Å; F329-T344 HydrophobicContact CE1-CG2 4Å; F329-T344 HydrophobicContact CE2-CG2 3.71Å; F329-T344 HydrophobicContact CG-CG2 4.39Å; F329-T344 HydrophobicContact CZ-CG2 3.68Å; F329-T344 PolarHBondContact N-OG1 3.28Å; F329-T344 PolarHBondContact O-N 2.98Å; F329-T344 PolarHBondContact O-OG1 2.9Å; F329-W353 HydrophobicContact CE1-CB 4.06Å; F329-W353 HydrophobicContact CE1-CD2 4.39Å; F329-W353 AromaticContact CE1-CG 3.94Å; F329-W353 HydrophobicContact CE1-CG 3.94Å; F329-W353 HydrophobicContact CE2-CD2 4.47Å; F329-W353 HydrophobicContact CZ-CB 4.11Å; F329-W353 AromaticContact CZ-CD1 3.93Å; F329-W353 AromaticContact CZ-CD2 3.6Å; F329-W353 HydrophobicContact CZ-CD2 3.6Å; F329-W353 AromaticContact CZ-CE2 3.88Å; F329-W353 HydrophobicContact CZ-CE3 4.06Å; F329-W353 AromaticContact CZ-CG 3.62Å; F329-W353 HydrophobicContact CZ-CG 3.62Å; F329-W353 HydrophobicContact CZ-CZ2 4.5Å
330	N	98.9	Very high	98.6	Very high	35 Å²	35	40.3 Å²	40.3	19%	0.187	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	146.7	172.2	-64	-13.8	0	0	0	109.5	A237 S238 Y240 F342 S343	A237-N330 WeakPolarHBondContact CA-O 3.47Å; S238-N330 PolarHBondContact N-O 2.64Å; S238-N330 PolarHBondContact O-N 2.68Å; Y240-N330 HydrophobicContact CE2-CB 4.23Å; Y240-N330 VanDerWaalsContact CE2-ND2 3.34Å; Y240-N330 WeakPolarHBondContact CE2-ND2 3.36Å; N330-F342 WeakPolarHBondContact CA-O 3.17Å; N330-S343 WeakPolarHBondContact OD1-CA 3.32Å; N330-S343 WeakPolarHBondContact OD1-CB 3.42Å; N330-S343 PolarHBondContact OD1-OG 2.9Å
331	I	98.9	Very high	98.6	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.1	177.9	-60.3	-62.5	0	0	0	109.2	M205 L209 P234 A237 F329 F333 G341 F342	M205-I331 HydrophobicContact CE-CD1 4.36Å; M205-I331 HydrophobicContact CE-CG1 4.14Å; M205-I331 HydrophobicContact CG-CD1 3.67Å; M205-I331 HydrophobicContact CG-CG1 4.31Å; M205-I331 HydrophobicContact SD-CD1 4.13Å; L209-I331 HydrophobicContact CD1-CD1 4.06Å; P234-I331 HydrophobicContact CB-CG2 3.41Å; P234-I331 VanDerWaalsContact CB-CG2 3.41Å; P234-I331 HydrophobicContact CG-CG2 3.6Å; A237-I331 HydrophobicContact CB-CD1 3.6Å; F329-I331 HydrophobicContact CD2-CD1 3.81Å; F329-I331 HydrophobicContact CD2-CG1 3.74Å; F329-I331 HydrophobicContact CE2-CD1 4Å; F329-I331 HydrophobicContact CE2-CG1 3.72Å; I331-F333 HydrophobicContact CG2-CE2 4.04Å; I331-G341 CarbonylContact O-C 3.56Å; I331-G341 WeakPolarHBondContact O-CA 3.3Å; I331-F342 HydrophobicContact CB-CD1 4.18Å; I331-F342 HydrophobicContact CB-CE1 3.77Å; I331-F342 HydrophobicContact CB-CE2 4.22Å; I331-F342 HydrophobicContact CB-CZ 3.8Å; I331-F342 HydrophobicContact CG1-CE1 4.14Å; I331-F342 HydrophobicContact CG1-CE2 3.93Å; I331-F342 HydrophobicContact CG1-CZ 3.63Å; I331-F342 HydrophobicContact CG2-CE1 3.94Å; I331-F342 HydrophobicContact CG2-CZ 4.27Å; I331-F342 PolarHBondContact N-O 3.02Å; I331-F342 PolarHBondContact O-N 2.89Å
332	E	98.9	Very high	98.7	Very high	41 Å²	41	41.1 Å²	41.1	19%	0.192	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	146.3	179.9	-62.6	-171.5	-126	0	0	112.1	P234 D235 R236 T334	P234-E332 VanDerWaalsContact CB-O 3.28Å; P234-E332 WeakPolarHBondContact CB-O 3.39Å; D235-E332 PolarHBondContact N-O 2.91Å; D235-E332 VanDerWaalsContact OD1-O 3.1Å; R236-E332 HydrophobicContact CB-CB 4.24Å; R236-E332 IonicContact CZ-OE1 2.87Å; R236-E332 IonicContact CZ-OE2 3.28Å; R236-E332 PolarHBondContact N-O 2.98Å; R236-E332 IonicContact NE-OE1 2.62Å; R236-E332 PolarHBondContact NE-OE1 3.39Å; R236-E332 IonicContact NE-OE2 3.69Å; R236-E332 IonicContact NH2-OE1 3.08Å; R236-E332 PolarHBondContact NH2-OE1 3.03Å; R236-E332 IonicContact NH2-OE2 4Å; R236-E332 PolarHBondContact NH2-OE2 3.24Å; R236-E332 PolarHBondContact O-N 2.87Å; E332-T334 HydrophobicContact CB-CG2 4.3Å
333	F	98.9	Very high	98.7	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.018	21%	0.212	C	C	.	.			trans	-113.7	78.5	174	-61.3	-101.1	0	0	0	107.9	T116 Y117 F233 P234 I331 K335 C336 T340	T116-F333 HydrophobicContact CG2-CD2 4.16Å; T116-F333 HydrophobicContact CG2-CE2 3.73Å; Y117-F333 AromaticContact CD1-CE1 3.97Å; Y117-F333 HydrophobicContact CD1-CE1 3.97Å; Y117-F333 AromaticContact CD1-CZ 3.9Å; Y117-F333 HydrophobicContact CD1-CZ 3.9Å; Y117-F333 HydrophobicContact CD2-CZ 4.15Å; Y117-F333 AromaticContact CE1-CE1 3.96Å; Y117-F333 HydrophobicContact CE1-CE1 3.96Å; Y117-F333 AromaticContact CE1-CZ 3.87Å; Y117-F333 HydrophobicContact CE1-CZ 3.87Å; Y117-F333 HydrophobicContact CE2-CZ 4.1Å; Y117-F333 HydrophobicContact CG-CZ 4.05Å; Y117-F333 AromaticContact CZ-CZ 3.97Å; F233-F333 HydrophobicContact CB-CD1 4.01Å; F233-F333 HydrophobicContact CB-CE1 4.01Å; F233-F333 AromaticContact CD1-CD1 3.56Å; F233-F333 HydrophobicContact CD1-CD1 3.56Å; F233-F333 HydrophobicContact CD1-CE1 4.15Å; F233-F333 HydrophobicContact CE1-CD1 4.38Å; F233-F333 HydrophobicContact CG-CD1 4.1Å; P234-F333 HydrophobicContact CB-CD1 4.03Å; P234-F333 HydrophobicContact CB-CD2 4.38Å; P234-F333 HydrophobicContact CB-CE1 3.83Å; P234-F333 HydrophobicContact CB-CE2 4.17Å; P234-F333 HydrophobicContact CB-CG 4.31Å; P234-F333 HydrophobicContact CB-CZ 3.9Å; P234-F333 HydrophobicContact CG-CZ 4.45Å; I331-F333 HydrophobicContact CG2-CE2 4.04Å; F333-K335 PolarHBondContact O-N 2.98Å; F333-K335 VanDerWaalsContact O-N 3.12Å; F333-C336 VanDerWaalsContact CB-SG 3.55Å; F333-C336 WeakPolarHBondContact O-CB 3.42Å; F333-C336 PolarHBondContact O-N 2.82Å; F333-T340 HydrophobicContact CB-CG2 4.44Å; F333-T340 HydrophobicContact CD2-CG2 4.2Å; F333-T340 PolarHBondContact N-O 2.82Å
334	T	98.8	Very high	98.7	Very high	60 Å²	60	42.3 Å²	42.3	37%	0.368	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.8	-167.7	77.9	0	0	0	0	113.5	D235 R236 E332 C336	D235-T334 VanDerWaalsContact CG-OG1 3.28Å; D235-T334 WeakPolarHBondContact OD1-CG2 3.21Å; D235-T334 PolarHBondContact OD1-N 3.24Å; D235-T334 PolarHBondContact OD1-OG1 3.42Å; D235-T334 PolarHBondContact OD2-N 2.73Å; D235-T334 PolarHBondContact OD2-OG1 2.81Å; R236-T334 HydrophobicContact CB-CG2 4.03Å; E332-T334 HydrophobicContact CB-CG2 4.3Å; T334-C336 VanDerWaalsContact C-N 3.31Å
335	K	98.5	Very high	98.7	Very high	88 Å²	88	42.4 Å²	42.4	38%	0.383	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-5.5	175.6	-50.2	-51.5	174.1	-162.4	0	114.6	I127 L231 F233 D235 Y299 F333	I127-K335 VanDerWaalsContact CD1-O 3.29Å; I127-K335 WeakPolarHBondContact CD1-O 3.41Å; L231-K335 HydrophobicContact CD2-CD 4.38Å; L231-K335 HydrophobicContact CD2-CG 4.12Å; F233-K335 HydrophobicContact CZ-CB 4.41Å; D235-K335 WeakPolarHBondContact OD2-CE 3.46Å; D235-K335 WeakPolarHBondContact OD2-CG 3.3Å; Y299-K335 WeakPolarHBondContact OH-CE 3.28Å; F333-K335 PolarHBondContact O-N 2.98Å; F333-K335 VanDerWaalsContact O-N 3.12Å
336	C	98.6	Very high	98.7	Very high	13 Å²	13	43 Å²	43	9%	0.088	22%	0.215	C	C	.	.	S	Bend	trans	-71	145.9	175.1	-68.1	0	0	0	0	111.2	N124 F333 T334 K338 T340	N124-C336 PolarHBondContact ND2-SG 3.43Å; F333-C336 VanDerWaalsContact CB-SG 3.55Å; F333-C336 WeakPolarHBondContact O-CB 3.42Å; F333-C336 PolarHBondContact O-N 2.82Å; T334-C336 VanDerWaalsContact C-N 3.31Å; C336-K338 VanDerWaalsContact CB-O 3.25Å; C336-K338 WeakPolarHBondContact CB-O 3.32Å; C336-K338 PolarHBondContact O-N 2.71Å; C336-T340 WeakPolarHBondContact CB-OG1 3.16Å
337	H	97.3	Very high	98.6	Very high	158 Å²	158	49.2 Å²	49.2	73%	0.731	25%	0.249	S	C	*	.	S	Bend	trans	-63.1	-30	178.3	-176.3	65.7	0	0	0	113.3	N124	N124-H337 PolarHBondContact OD1-N 2.83Å
338	K	98	Very high	98.6	Very high	162 Å²	162	50.9 Å²	50.9	70%	0.704	26%	0.263	S	S	*	.	S	Bend	trans	-114.7	152.4	170.8	-64.4	-170.8	179.6	-176.1	0	109.6	C336 T340	C336-K338 VanDerWaalsContact CB-O 3.25Å; C336-K338 WeakPolarHBondContact CB-O 3.32Å; C336-K338 PolarHBondContact O-N 2.71Å; K338-T340 PolarHBondContact O-N 2.63Å; K338-T340 PolarHBondContact O-OG1 2.81Å
339	K	98.1	Very high	98.6	Very high	198 Å²	198	53.1 Å²	53.1	86%	0.861	29%	0.285	S	S	*	.			trans	-50.9	113.8	172.1	-174.5	176	-177.6	178.2	0	109.2
340	T	98.7	Very high	98.6	Very high	22 Å²	22	59.1 Å²	59.1	14%	0.135	31%	0.308	C	S	.	.			trans	-131.8	127.7	-176	-56.6	0	0	0	0	107.6	T116 F333 C336 K338	T116-T340 HydrophobicContact CG2-CG2 3.97Å; F333-T340 HydrophobicContact CB-CG2 4.44Å; F333-T340 HydrophobicContact CD2-CG2 4.2Å; F333-T340 PolarHBondContact N-O 2.82Å; C336-T340 WeakPolarHBondContact CB-OG1 3.16Å; K338-T340 PolarHBondContact O-N 2.63Å; K338-T340 PolarHBondContact O-OG1 2.81Å
341	G	98.7	Very high	98.6	Very high	36 Å²	36	57.5 Å²	57.5	37%	0.371	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	166.8	173.1	-172.6	0	0	0	0	0	110.7	I331	I331-G341 CarbonylContact O-C 3.56Å; I331-G341 WeakPolarHBondContact O-CA 3.3Å
342	F	98.9	Very high	98.5	Very high	18 Å²	18	58.2 Å²	58.2	8%	0.079	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	165.8	177.5	64.3	-93.1	0	0	0	110.6	V112 T116 M205 F329 N330 I331 T344 W353	V112-F342 HydrophobicContact CG1-CB 3.65Å; V112-F342 HydrophobicContact CG1-CD2 4.34Å; V112-F342 HydrophobicContact CG1-CG 4.1Å; T116-F342 HydrophobicContact CG2-CD1 3.88Å; M205-F342 HydrophobicContact CE-CZ 3.92Å; F329-F342 HydrophobicContact CE2-CE2 4.26Å; N330-F342 WeakPolarHBondContact CA-O 3.17Å; I331-F342 HydrophobicContact CB-CD1 4.18Å; I331-F342 HydrophobicContact CB-CE1 3.77Å; I331-F342 HydrophobicContact CB-CE2 4.22Å; I331-F342 HydrophobicContact CB-CZ 3.8Å; I331-F342 HydrophobicContact CG1-CE1 4.14Å; I331-F342 HydrophobicContact CG1-CE2 3.93Å; I331-F342 HydrophobicContact CG1-CZ 3.63Å; I331-F342 HydrophobicContact CG2-CE1 3.94Å; I331-F342 HydrophobicContact CG2-CZ 4.27Å; I331-F342 PolarHBondContact N-O 3.02Å; I331-F342 PolarHBondContact O-N 2.89Å; F342-T344 HydrophobicContact CD2-CG2 4.39Å; F342-T344 HydrophobicContact CE2-CG2 4.16Å; F342-W353 HydrophobicContact CE2-CE3 4.1Å; F342-W353 HydrophobicContact CE2-CH2 4.08Å; F342-W353 AromaticContact CE2-CZ3 3.45Å; F342-W353 HydrophobicContact CE2-CZ3 3.45Å; F342-W353 VanDerWaalsContact CE2-CZ3 3.45Å; F342-W353 AromaticContact CZ-CH2 3.73Å; F342-W353 HydrophobicContact CZ-CH2 3.73Å; F342-W353 AromaticContact CZ-CZ3 3.56Å; F342-W353 HydrophobicContact CZ-CZ3 3.56Å
343	S	98.9	Very high	98.5	Very high	31 Å²	31	56.5 Å²	56.5	22%	0.217	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	147.2	176.1	-177.7	0	0	0	0	109.3	N330 A345 A348	N330-S343 WeakPolarHBondContact OD1-CA 3.32Å; N330-S343 WeakPolarHBondContact OD1-CB 3.42Å; N330-S343 PolarHBondContact OD1-OG 2.9Å; S343-A345 VanDerWaalsContact OG-CB 3.27Å; S343-A345 WeakPolarHBondContact OG-CB 3.48Å; S343-A345 PolarHBondContact OG-N 3.47Å; S343-A345 VanDerWaalsContact OG-N 3.09Å; S343-A348 WeakPolarHBondContact O-CB 3.18Å
344	T	98.9	Very high	98.5	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.006	30%	0.304	C	S	.	.			trans	-103.7	17.5	168.6	77	0	0	0	0	111.9	F329 F342 T351 W353 Q355	F329-T344 HydrophobicContact CD1-CG2 4.34Å; F329-T344 HydrophobicContact CD2-CG2 4.07Å; F329-T344 HydrophobicContact CE1-CG2 4Å; F329-T344 HydrophobicContact CE2-CG2 3.71Å; F329-T344 HydrophobicContact CG-CG2 4.39Å; F329-T344 HydrophobicContact CZ-CG2 3.68Å; F329-T344 PolarHBondContact N-OG1 3.28Å; F329-T344 PolarHBondContact O-N 2.98Å; F329-T344 PolarHBondContact O-OG1 2.9Å; F342-T344 HydrophobicContact CD2-CG2 4.39Å; F342-T344 HydrophobicContact CE2-CG2 4.16Å; T344-T351 HydrophobicContact CG2-CG2 4.34Å; T344-W353 HydrophobicContact CG2-CB 4.28Å; T344-W353 HydrophobicContact CG2-CE3 4.04Å; T344-Q355 WeakPolarHBondContact O-CG 3.37Å; T344-Q355 PolarHBondContact O-NE2 3.31Å
345	A	98.8	Very high	98.5	Very high	3 Å²	3	56.4 Å²	56.4	3%	0.025	29%	0.289	C	S	.	.	S	Bend	trans	-61.8	156.4	179.1	0	0	0	0	0	112.4	Y328 S343 D347 A348	Y328-A345 HydrophobicContact CD1-CB 4.49Å; Y328-A345 VanDerWaalsContact CD2-CA 3.46Å; Y328-A345 HydrophobicContact CD2-CB 3.5Å; Y328-A345 HydrophobicContact CE1-CB 4.47Å; Y328-A345 HydrophobicContact CE2-CB 3.48Å; Y328-A345 VanDerWaalsContact CE2-CB 3.48Å; Y328-A345 HydrophobicContact CG-CB 4.03Å; S343-A345 VanDerWaalsContact OG-CB 3.27Å; S343-A345 WeakPolarHBondContact OG-CB 3.48Å; S343-A345 PolarHBondContact OG-N 3.47Å; S343-A345 VanDerWaalsContact OG-N 3.09Å; A345-D347 WeakPolarHBondContact CB-OD1 3.39Å; A345-D347 PolarHBondContact O-N 3.01Å; A345-A348 HydrophobicContact CB-CB 4.32Å; A345-A348 WeakPolarHBondContact O-CB 3.44Å; A345-A348 PolarHBondContact O-N 3.29Å
346	P	98.8	Very high	98.5	Very high	11 Å²	11	52.3 Å²	52.3	7%	0.071	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-31.5	175.1	-27.1	35.6	0	0	0	114.3	L242 V281 P283 V286 Q355	L242-P346 HydrophobicContact CD2-CG 4.05Å; V281-P346 HydrophobicContact CB-CB 4.2Å; V281-P346 HydrophobicContact CB-CG 4.1Å; V281-P346 HydrophobicContact CG1-CB 4.15Å; V281-P346 HydrophobicContact CG1-CG 4.09Å; P283-P346 HydrophobicContact CB-CB 4.2Å; P283-P346 VanDerWaalsContact CD-O 3.28Å; P283-P346 WeakPolarHBondContact CD-O 3.49Å; P283-P346 VanDerWaalsContact CG-O 3.29Å; P283-P346 WeakPolarHBondContact CG-O 3.48Å; V286-P346 HydrophobicContact CG2-CB 4.12Å; V286-P346 HydrophobicContact CG2-CG 4.11Å; P346-Q355 HydrophobicContact CG-CG 4.08Å
347	D	98.2	Very high	98.5	Very high	131 Å²	131	51.9 Å²	51.9	70%	0.701	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-0.9	179.5	66	-37.1	0	0	0	113.8	P283 A345	P283-D347 HydrophobicContact CB-CB 4.01Å; A345-D347 WeakPolarHBondContact CB-OD1 3.39Å; A345-D347 PolarHBondContact O-N 3.01Å
348	A	98.5	Very high	98.6	Very high	36 Å²	36	44.3 Å²	44.3	30%	0.298	23%	0.234	S	C	.	.	S	Bend	trans	-88.5	169.7	174.4	0	0	0	0	0	112	S343 A345	S343-A348 WeakPolarHBondContact O-CB 3.18Å; A345-A348 HydrophobicContact CB-CB 4.32Å; A345-A348 WeakPolarHBondContact O-CB 3.44Å; A345-A348 PolarHBondContact O-N 3.29Å
349	A	98.4	Very high	98.6	Very high	64 Å²	64	37 Å²	37	53%	0.529	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-63.7	150.1	171.5	0	0	0	0	0	110.9	V112 T351	V112-A349 HydrophobicContact CG2-CB 3.76Å; A349-T351 PolarHBondContact O-N 3.38Å
350	Y	98.6	Very high	98.6	Very high	129 Å²	129	27.7 Å²	27.7	51%	0.506	16%	0.161	S	C	.	.	P	Polyproline II helix	trans	-53.5	137.6	179.4	174.8	-91.6	0	0	0	112.2	V280 K354	V280-Y350 HydrophobicContact CG2-CD2 3.82Å; V280-Y350 HydrophobicContact CG2-CE2 3.73Å; Y350-K354 HydrophobicContact CE2-CG 4.03Å
351	T	98.8	Very high	98.4	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	17%	0.172	C	C	.	.			trans	-132.4	157.5	167.2	70.2	0	0	0	0	108.7	D110 V112 T344 A349 W353 K354	D110-T351 VanDerWaalsContact OD2-CA 3.3Å; D110-T351 WeakPolarHBondContact OD2-CA 3.35Å; D110-T351 WeakPolarHBondContact OD2-CB 3.43Å; V112-T351 HydrophobicContact CB-CG2 4.02Å; V112-T351 HydrophobicContact CG1-CG2 3.86Å; T344-T351 HydrophobicContact CG2-CG2 4.34Å; A349-T351 PolarHBondContact O-N 3.38Å; T351-W353 PolarHBondContact O-N 2.87Å; T351-K354 PolarHBondContact O-N 3.36Å
352	H	98.1	Very high	98.2	Very high	15 Å²	15	34.1 Å²	34.1	7%	0.069	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.5	179.9	76.5	-76.9	0	0	0	113.1	E106 D110 K354	E106-H352 HydrophobicContact CG-CB 3.78Å; D110-H352 HydrophobicContact CB-CB 4.43Å; D110-H352 IonicContact OD2-CE1 2.65Å; D110-H352 IonicContact OD2-CG 2.86Å; D110-H352 PolarHBondContact OD2-N 2.71Å; D110-H352 IonicContact OD2-ND1 3.93Å; D110-H352 PolarHBondContact OD2-ND1 3.38Å; H352-K354 PolarHBondContact O-N 3.1Å
353	W	98.6	Very high	98.1	Very high	5 Å²	5	38.9 Å²	38.9	2%	0.019	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-26	173.3	-65.9	-72.5	0	0	0	113.7	R113 E203 M205 Y207 V278 F329 F342 T344 T351 Q355	R113-W353 HydrophobicContact CB-CH2 4.13Å; R113-W353 HydrophobicContact CB-CZ3 3.92Å; R113-W353 HydrophobicContact CG-CH2 3.56Å; R113-W353 HydrophobicContact CG-CZ3 3.9Å; E203-W353 HydrophobicContact CG-CH2 4.45Å; E203-W353 HydrophobicContact CG-CZ2 4.41Å; E203-W353 WeakPolarHBondContact OE1-CZ2 3.34Å; M205-W353 HydrophobicContact CB-CZ2 3.88Å; M205-W353 HydrophobicContact CE-CH2 3.68Å; M205-W353 HydrophobicContact CE-CZ2 3.79Å; M205-W353 PolarHBondContact O-NE1 3.47Å; Y207-W353 HydrophobicContact CD1-CB 4.5Å; V278-W353 WeakPolarHBondContact CG1-O 3.35Å; F329-W353 HydrophobicContact CE1-CB 4.06Å; F329-W353 HydrophobicContact CE1-CD2 4.39Å; F329-W353 AromaticContact CE1-CG 3.94Å; F329-W353 HydrophobicContact CE1-CG 3.94Å; F329-W353 HydrophobicContact CE2-CD2 4.47Å; F329-W353 HydrophobicContact CZ-CB 4.11Å; F329-W353 AromaticContact CZ-CD1 3.93Å; F329-W353 AromaticContact CZ-CD2 3.6Å; F329-W353 HydrophobicContact CZ-CD2 3.6Å; F329-W353 AromaticContact CZ-CE2 3.88Å; F329-W353 HydrophobicContact CZ-CE3 4.06Å; F329-W353 AromaticContact CZ-CG 3.62Å; F329-W353 HydrophobicContact CZ-CG 3.62Å; F329-W353 HydrophobicContact CZ-CZ2 4.5Å; F342-W353 HydrophobicContact CE2-CE3 4.1Å; F342-W353 HydrophobicContact CE2-CH2 4.08Å; F342-W353 AromaticContact CE2-CZ3 3.45Å; F342-W353 HydrophobicContact CE2-CZ3 3.45Å; F342-W353 VanDerWaalsContact CE2-CZ3 3.45Å; F342-W353 AromaticContact CZ-CH2 3.73Å; F342-W353 HydrophobicContact CZ-CH2 3.73Å; F342-W353 AromaticContact CZ-CZ3 3.56Å; F342-W353 HydrophobicContact CZ-CZ3 3.56Å; T344-W353 HydrophobicContact CG2-CB 4.28Å; T344-W353 HydrophobicContact CG2-CE3 4.04Å; T351-W353 PolarHBondContact O-N 2.87Å; W353-Q355 PolarHBondContact O-N 3.42Å
354	K	98.6	Very high	98.1	Very high	49 Å²	49	37.6 Å²	37.6	21%	0.213	19%	0.193	C	C	.	.			trans	49.3	-132.7	-174.1	-48.6	175.1	-177.6	177.9	0	110.4	V278 D279 V280 Y350 T351 H352	V278-K354 HydrophobicContact CG1-CB 4.4Å; V278-K354 HydrophobicContact CG1-CD 4.48Å; D279-K354 WeakPolarHBondContact O-CB 3.41Å; D279-K354 IonicContact OD1-NZ 3.22Å; V280-K354 HydrophobicContact CG2-CB 4.11Å; V280-K354 HydrophobicContact CG2-CD 3.79Å; V280-K354 HydrophobicContact CG2-CG 3.74Å; Y350-K354 HydrophobicContact CE2-CG 4.03Å; T351-K354 PolarHBondContact O-N 3.36Å; H352-K354 PolarHBondContact O-N 3.1Å
355	Q	98.8	Very high	98.1	Very high	13 Å²	13	38.2 Å²	38.2	6%	0.061	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	161.7	171.4	-59.7	80	47.7	0	0	110.6	V278 D279 V281 V326 T344 P346 W353	V278-Q355 WeakPolarHBondContact CA-O 3.44Å; D279-Q355 PolarHBondContact N-O 3.19Å; D279-Q355 PolarHBondContact O-N 3.18Å; D279-Q355 VanDerWaalsContact O-N 3.13Å; D279-Q355 VanDerWaalsContact O-O 3.13Å; D279-Q355 PolarHBondContact O-OE1 3.12Å; V281-Q355 HydrophobicContact CG2-CB 4.18Å; V326-Q355 HydrophobicContact CG1-CB 3.53Å; V326-Q355 HydrophobicContact CG1-CG 4.16Å; T344-Q355 WeakPolarHBondContact O-CG 3.37Å; T344-Q355 PolarHBondContact O-NE2 3.31Å; P346-Q355 HydrophobicContact CG-CG 4.08Å; W353-Q355 PolarHBondContact O-N 3.42Å
356	T	98.9	Very high	98.1	Very high	2 Å²	2	38 Å²	38	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.6	176.6	-54.9	0	0	0	0	110.1	S208 P276 L277 V326 T327 F358 M411	S208-T356 PolarHBondContact N-OG1 3.36Å; P276-T356 HydrophobicContact CB-CG2 3.5Å; L277-T356 CarbonylContact O-C 3.37Å; L277-T356 WeakPolarHBondContact O-CA 3.41Å; V326-T356 CarbonylContact C-O 3.44Å; V326-T356 VanDerWaalsContact CA-O 3.24Å; V326-T356 WeakPolarHBondContact CA-O 3.15Å; T327-T356 PolarHBondContact N-O 2.9Å; T327-T356 PolarHBondContact O-N 2.85Å; T327-T356 WeakPolarHBondContact OG1-CB 3.47Å; T356-F358 HydrophobicContact CG2-CD2 4.28Å; T356-F358 HydrophobicContact CG2-CE1 4.36Å; T356-F358 HydrophobicContact CG2-CE2 3.47Å; T356-F358 VanDerWaalsContact CG2-CE2 3.47Å; T356-F358 HydrophobicContact CG2-CZ 3.52Å; T356-F358 WeakPolarHBondContact O-CE2 3.24Å; T356-M411 HydrophobicContact CG2-CE 3.28Å
357	V	98.8	Very high	98.1	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.024	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.8	-174.9	-173.9	0	0	0	0	110.7	I244 P276 L277 V281 A324 V326 Y359	I244-V357 HydrophobicContact CD1-CG1 4.26Å; P276-V357 CarbonylContact C-O 3.47Å; P276-V357 VanDerWaalsContact CA-O 3.29Å; P276-V357 WeakPolarHBondContact CA-O 3.38Å; L277-V357 HydrophobicContact CB-CB 4.37Å; L277-V357 PolarHBondContact N-O 2.82Å; L277-V357 PolarHBondContact O-N 2.83Å; V281-V357 HydrophobicContact CG2-CG2 3.81Å; A324-V357 HydrophobicContact CB-CG1 3.53Å; V326-V357 HydrophobicContact CG2-CG1 4.49Å; V326-V357 HydrophobicContact CG2-CG2 4.27Å; V357-Y359 HydrophobicContact CG1-CE1 4.17Å; V357-Y359 HydrophobicContact CG1-CE2 4.41Å
358	F	98.7	Very high	98.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	98.9	-179.6	-59.1	-97.1	0	0	0	109.3	P276 A324 L325 T327 T356 F390 F392 Y409	P276-F358 HydrophobicContact CB-CD1 3.92Å; P276-F358 HydrophobicContact CB-CE1 3.73Å; P276-F358 HydrophobicContact CB-CG 4.5Å; P276-F358 HydrophobicContact CB-CZ 4.13Å; P276-F358 HydrophobicContact CG-CD1 3.72Å; P276-F358 HydrophobicContact CG-CE1 3.4Å; P276-F358 VanDerWaalsContact CG-CE1 3.4Å; P276-F358 HydrophobicContact CG-CZ 4.19Å; A324-F358 CarbonylContact C-O 3.58Å; A324-F358 WeakPolarHBondContact CA-O 3.24Å; A324-F358 VanDerWaalsContact CB-O 3.3Å; A324-F358 WeakPolarHBondContact CB-O 3.33Å; L325-F358 HydrophobicContact CB-CB 4.42Å; L325-F358 PolarHBondContact N-O 3.25Å; L325-F358 PolarHBondContact O-N 3.5Å; T327-F358 HydrophobicContact CG2-CD2 4.37Å; T327-F358 HydrophobicContact CG2-CE2 3.64Å; T327-F358 HydrophobicContact CG2-CZ 4.34Å; T356-F358 HydrophobicContact CG2-CD2 4.28Å; T356-F358 HydrophobicContact CG2-CE1 4.36Å; T356-F358 HydrophobicContact CG2-CE2 3.47Å; T356-F358 VanDerWaalsContact CG2-CE2 3.47Å; T356-F358 HydrophobicContact CG2-CZ 3.52Å; T356-F358 WeakPolarHBondContact O-CE2 3.24Å; F358-F390 HydrophobicContact CE1-CB 4.26Å; F358-F390 AromaticContact CE1-CD1 3.99Å; F358-F390 HydrophobicContact CE1-CD1 3.99Å; F358-F390 HydrophobicContact CE1-CD2 4.05Å; F358-F390 HydrophobicContact CE1-CE1 4.3Å; F358-F390 HydrophobicContact CE1-CE2 4.37Å; F358-F390 AromaticContact CE1-CG 3.85Å; F358-F390 HydrophobicContact CE1-CG 3.85Å; F358-F390 HydrophobicContact CE1-CZ 4.49Å; F358-F390 HydrophobicContact CZ-CD1 4.06Å; F358-F390 AromaticContact CZ-CE1 3.98Å; F358-F390 HydrophobicContact CZ-CE1 3.98Å; F358-F390 HydrophobicContact CZ-CG 4.36Å; F358-F390 HydrophobicContact CZ-CZ 4.25Å; F358-F392 HydrophobicContact CB-CE2 4.3Å; F358-F392 HydrophobicContact CD1-CD2 4.18Å; F358-F392 AromaticContact CD1-CE2 3.61Å; F358-F392 HydrophobicContact CD1-CE2 3.61Å; F358-F392 HydrophobicContact CD2-CE2 4.03Å; F358-F392 HydrophobicContact CD2-CZ 4.27Å; F358-F392 AromaticContact CE1-CE2 3.83Å; F358-F392 HydrophobicContact CE1-CE2 3.83Å; F358-F392 HydrophobicContact CE2-CE2 4.25Å; F358-F392 HydrophobicContact CE2-CZ 4.43Å; F358-F392 HydrophobicContact CG-CD2 4.4Å; F358-F392 AromaticContact CG-CE2 3.72Å; F358-F392 HydrophobicContact CG-CE2 3.72Å; F358-F392 HydrophobicContact CG-CZ 4.35Å; F358-F392 HydrophobicContact CZ-CE2 4.14Å; F358-Y409 HydrophobicContact CB-CE1 4.11Å; F358-Y409 HydrophobicContact CB-CE2 4.37Å; F358-Y409 HydrophobicContact CD1-CD1 4.05Å; F358-Y409 AromaticContact CD1-CD2 3.89Å; F358-Y409 HydrophobicContact CD1-CD2 3.89Å; F358-Y409 HydrophobicContact CD1-CE1 4.43Å; F358-Y409 HydrophobicContact CD1-CE2 4.28Å; F358-Y409 AromaticContact CD1-CG 3.77Å; F358-Y409 HydrophobicContact CD1-CG 3.77Å; F358-Y409 HydrophobicContact CE1-CG 4.46Å
359	Y	98.5	Very high	98.1	Very high	9 Å²	9	45.2 Å²	45.2	4%	0.035	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	132.5	-177.9	-74.3	-62.9	0	0	0	112.3	D246 K250 I254 M273 A324 V357 Y409	D246-Y359 HydrophobicContact CB-CE1 4.26Å; D246-Y359 VanDerWaalsContact OD2-CE1 3.29Å; D246-Y359 WeakPolarHBondContact OD2-CE1 3.26Å; D246-Y359 VanDerWaalsContact OD2-CZ 3.31Å; D246-Y359 PolarHBondContact OD2-OH 2.78Å; K250-Y359 HydrophobicContact CB-CD1 4.02Å; K250-Y359 HydrophobicContact CB-CE1 3.64Å; K250-Y359 HydrophobicContact CD-CD1 3.88Å; K250-Y359 HydrophobicContact CD-CE1 4.37Å; K250-Y359 HydrophobicContact CD-CG 4.46Å; K250-Y359 HydrophobicContact CG-CD1 3.84Å; K250-Y359 HydrophobicContact CG-CE1 3.98Å; K250-Y359 HydrophobicContact CG-CG 4.31Å; I254-Y359 HydrophobicContact CD1-CD2 4.13Å; I254-Y359 HydrophobicContact CG1-CD2 3.83Å; I254-Y359 HydrophobicContact CG1-CE2 4.13Å; I254-Y359 HydrophobicContact CG1-CG 4.38Å; M273-Y359 WeakPolarHBondContact CE-O 3.06Å; A324-Y359 HydrophobicContact CB-CD1 3.75Å; A324-Y359 HydrophobicContact CB-CE1 4.13Å; A324-Y359 HydrophobicContact CB-CG 4.46Å; V357-Y359 HydrophobicContact CG1-CE1 4.17Å; V357-Y359 HydrophobicContact CG1-CE2 4.41Å; Y359-Y409 PolarHBondContact O-OH 3.47Å
360	L	97.8	Very high	98.1	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	146.9	168.5	-55.8	178.9	0	0	0	109.8	K250 M273 I322 H323 D362 L364 L394	K250-L360 WeakPolarHBondContact CE-O 3.46Å; K250-L360 PolarHBondContact NZ-O 3.24Å; M273-L360 VanDerWaalsContact CE-C 3.49Å; M273-L360 WeakPolarHBondContact CE-O 3.49Å; I322-L360 HydrophobicContact CG2-CD1 4.24Å; H323-L360 PolarHBondContact O-N 3.03Å; L360-D362 WeakPolarHBondContact CB-O 3.22Å; L360-L364 HydrophobicContact CD1-CD1 4.26Å; L360-L364 HydrophobicContact CD1-CG 4.13Å; L360-L394 HydrophobicContact CD1-CD1 4.49Å; L360-L394 HydrophobicContact CD2-CD1 4.49Å
361	E	94.4	Very high	98.1	Very high	77 Å²	77	42.6 Å²	42.6	36%	0.36	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	-58.1	175.6	-175.6	62.8	-156.1	0	0	110.4	K250 R269	K250-E361 PolarHBondContact NZ-O 3.26Å; R269-E361 IonicContact CZ-OE1 2.62Å; R269-E361 IonicContact CZ-OE2 3.41Å; R269-E361 IonicContact NH1-OE1 3.38Å; R269-E361 PolarHBondContact NH1-OE1 2.56Å; R269-E361 IonicContact NH1-OE2 2.92Å; R269-E361 PolarHBondContact NH1-OE2 2.96Å; R269-E361 VanDerWaalsContact NH2-CD 3.33Å; R269-E361 IonicContact NH2-OE1 3.33Å; R269-E361 PolarHBondContact NH2-OE1 3.17Å; R269-E361 IonicContact NH2-OE2 3.69Å; R269-E361 PolarHBondContact NH2-OE2 2.88Å
362	D	94.3	Very high	98.1	Very high	116 Å²	116	42.6 Å²	42.6	62%	0.62	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	151.7	171.9	-67.2	-54.2	0	0	0	111	L360	L360-D362 WeakPolarHBondContact CB-O 3.22Å
363	Y	97.3	Very high	98.1	Very high	117 Å²	117	45 Å²	45	46%	0.459	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	151.7	174.3	59.7	-93.5	0	0	0	111.3	Y321 I322	Y321-Y363 AromaticContact CD1-CD2 3.65Å; Y321-Y363 HydrophobicContact CD1-CD2 3.65Å; Y321-Y363 AromaticContact CD1-CE2 3.8Å; Y321-Y363 HydrophobicContact CD1-CE2 3.8Å; Y321-Y363 HydrophobicContact CE1-CD2 4.3Å; Y321-Y363 AromaticContact CE1-CE2 3.96Å; Y321-Y363 HydrophobicContact CE1-CE2 3.96Å; Y321-Y363 HydrophobicContact CG-CD2 4.47Å; I322-Y363 CarbonylContact O-C 3.57Å; I322-Y363 WeakPolarHBondContact O-CA 3.49Å; I322-Y363 WeakPolarHBondContact O-CB 3.46Å
364	L	98.5	Very high	98	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	141.1	171.9	-48.4	176.8	0	0	0	109.8	Y321 I322 L360 V366 I372 L394 F396 A403 I405	Y321-L364 CarbonylContact C-O 3.52Å; Y321-L364 VanDerWaalsContact CA-O 3.24Å; Y321-L364 WeakPolarHBondContact CA-O 3.4Å; I322-L364 HydrophobicContact CB-CB 4.2Å; I322-L364 PolarHBondContact N-O 3.47Å; I322-L364 PolarHBondContact O-N 2.88Å; L360-L364 HydrophobicContact CD1-CD1 4.26Å; L360-L364 HydrophobicContact CD1-CG 4.13Å; L364-V366 HydrophobicContact CB-CG1 3.9Å; L364-I372 HydrophobicContact CD1-CD1 4.08Å; L364-I372 HydrophobicContact CD1-CG1 4.44Å; L364-L394 HydrophobicContact CD1-CD1 4.33Å; L364-L394 HydrophobicContact CD1-CD2 3.95Å; L364-F396 HydrophobicContact CB-CD1 4.46Å; L364-F396 HydrophobicContact CD1-CB 4.15Å; L364-F396 HydrophobicContact CD1-CD1 4.47Å; L364-F396 HydrophobicContact CD1-CG 4.23Å; L364-F396 HydrophobicContact CD2-CD1 4.47Å; L364-A403 HydrophobicContact CD2-CB 3.54Å; L364-I405 HydrophobicContact CD2-CD1 4.35Å
365	T	98.6	Very high	98	Very high	14 Å²	14	43.8 Å²	43.8	9%	0.086	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	111.3	171.1	-55	0	0	0	0	108.5	M16 Y321 L400 C401	M16-T365 HydrophobicContact CE-CG2 3.73Å; Y321-T365 HydrophobicContact CD1-CG2 4.23Å; Y321-T365 HydrophobicContact CE1-CG2 3.79Å; Y321-T365 WeakPolarHBondContact CE1-OG1 3.36Å; T365-L400 HydrophobicContact CG2-CB 3.89Å; T365-L400 HydrophobicContact CG2-CD1 3.78Å; T365-C401 PolarHBondContact N-SG 3.18Å; T365-C401 PolarHBondContact O-SG 3Å; T365-C401 VanDerWaalsContact O-SG 3.41Å
366	V	98.6	Very high	98	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	154.1	-166.6	-55.8	0	0	0	0	113	V287 I316 N319 D320 I322 L364 F396	V287-V366 HydrophobicContact CG1-CG2 3.93Å; I316-V366 HydrophobicContact CB-CG2 4.48Å; I316-V366 HydrophobicContact CD1-CB 4.42Å; I316-V366 HydrophobicContact CD1-CG1 4.48Å; I316-V366 HydrophobicContact CG1-CB 3.88Å; I316-V366 HydrophobicContact CG1-CG1 4.25Å; I316-V366 HydrophobicContact CG1-CG2 3.93Å; I316-V366 HydrophobicContact CG2-CB 4.11Å; I316-V366 HydrophobicContact CG2-CG2 3.66Å; N319-V366 WeakPolarHBondContact CA-O 3.33Å; D320-V366 PolarHBondContact N-O 3.25Å; D320-V366 VanDerWaalsContact N-O 3.16Å; D320-V366 WeakPolarHBondContact O-CG2 3.34Å; D320-V366 PolarHBondContact O-N 3.49Å; I322-V366 HydrophobicContact CD1-CB 4.49Å; I322-V366 HydrophobicContact CD1-CG1 3.81Å; I322-V366 HydrophobicContact CD1-CG2 3.96Å; I322-V366 HydrophobicContact CG1-CG1 4.31Å; I322-V366 HydrophobicContact CG1-CG2 4.11Å; L364-V366 HydrophobicContact CB-CG1 3.9Å; V366-F396 HydrophobicContact CB-CZ 4.1Å; V366-F396 HydrophobicContact CG1-CE1 4.01Å; V366-F396 HydrophobicContact CG1-CE2 3.91Å; V366-F396 HydrophobicContact CG1-CZ 3.54Å
367	R	98.6	Very high	98	Very high	97 Å²	97	44.6 Å²	44.6	37%	0.366	22%	0.222	S	C	.	.			trans	-117.7	149.5	172.2	-58.2	-171.9	69.2	-150.4	-5	110.7	I316 N319 G369 E370 L400	I316-R367 WeakPolarHBondContact CB-O 3.34Å; I316-R367 VanDerWaalsContact CG2-O 3.24Å; I316-R367 WeakPolarHBondContact CG2-O 3.48Å; N319-R367 WeakPolarHBondContact OD1-CA 3.4Å; R367-G369 PolarHBondContact O-N 3.16Å; R367-E370 HydrophobicContact CB-CG 4.2Å; R367-E370 PolarHBondContact N-OE2 3.4Å; R367-E370 WeakPolarHBondContact O-CB 3.41Å; R367-E370 WeakPolarHBondContact O-CG 3Å; R367-E370 PolarHBondContact O-N 3.36Å; R367-E370 VanDerWaalsContact O-N 3.14Å; R367-L400 HydrophobicContact CG-CD1 4.04Å; R367-L400 HydrophobicContact CG-CG 4.46Å
368	R	98.4	Very high	98	Very high	184 Å²	184	44.5 Å²	44.5	69%	0.694	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	132.9	174.4	-176.9	175.5	-178	-169.7	0.8	111	Q317 N319 E370	Q317-R368 VanDerWaalsContact O-CD 3.3Å; Q317-R368 WeakPolarHBondContact O-CD 3.37Å; Q317-R368 WeakPolarHBondContact O-CG 3.36Å; Q317-R368 PolarHBondContact O-NE 3.03Å; N319-R368 PolarHBondContact OD1-N 3.01Å; R368-E370 VanDerWaalsContact C-N 3.32Å
369	G	98.2	Very high	97.9	Very high	47 Å²	47	48.6 Å²	48.6	49%	0.485	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	-10	179	0	0	0	0	0	114.7	I316 R367	I316-G369 PolarHBondContact O-N 2.73Å; R367-G369 PolarHBondContact O-N 3.16Å
370	E	98.6	Very high	97.7	Very high	34 Å²	34	50 Å²	50	16%	0.159	25%	0.249	C	C	.	.			trans	-71.4	167.5	167.5	-62.5	177.2	152.4	0	0	110.3	I316 R367 R368 F396 G398 Q399	I316-E370 HydrophobicContact CD1-CB 4.01Å; I316-E370 WeakPolarHBondContact CD1-O 3.49Å; I316-E370 PolarHBondContact N-O 3.37Å; R367-E370 HydrophobicContact CB-CG 4.2Å; R367-E370 PolarHBondContact N-OE2 3.4Å; R367-E370 WeakPolarHBondContact O-CB 3.41Å; R367-E370 WeakPolarHBondContact O-CG 3Å; R367-E370 PolarHBondContact O-N 3.36Å; R367-E370 VanDerWaalsContact O-N 3.14Å; R368-E370 VanDerWaalsContact C-N 3.32Å; E370-F396 HydrophobicContact CB-CE2 4.02Å; E370-F396 HydrophobicContact CB-CZ 4.36Å; E370-F396 WeakPolarHBondContact OE2-CZ 3.24Å; E370-G398 VanDerWaalsContact OE1-CA 3.29Å; E370-G398 WeakPolarHBondContact OE1-CA 3.04Å; E370-Q399 PolarHBondContact OE1-N 3.34Å
371	E	98.4	Very high	97.6	Very high	105 Å²	105	50.9 Å²	50.9	49%	0.491	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	141.7	-176.1	-64.7	-177.2	160	0	0	111.5	L314 F396	L314-E371 WeakPolarHBondContact O-CA 3.21Å; E371-F396 WeakPolarHBondContact O-CD2 3.47Å
372	I	98.5	Very high	97.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	127.5	166.7	-55.6	169.2	0	0	0	107	A243 F312 C313 L314 I316 I322 L364 L394 F396	A243-I372 HydrophobicContact CB-CD1 4.39Å; F312-I372 HydrophobicContact CE2-CG2 4.16Å; C313-I372 CarbonylContact C-O 3.55Å; C313-I372 WeakPolarHBondContact CA-O 3.44Å; L314-I372 HydrophobicContact CB-CB 4.3Å; L314-I372 PolarHBondContact N-O 3.33Å; L314-I372 PolarHBondContact O-N 3.42Å; I316-I372 HydrophobicContact CD1-CD1 4.43Å; I316-I372 HydrophobicContact CD1-CG1 3.95Å; I322-I372 HydrophobicContact CD1-CD1 3.5Å; L364-I372 HydrophobicContact CD1-CD1 4.08Å; L364-I372 HydrophobicContact CD1-CG1 4.44Å; I372-L394 HydrophobicContact CG2-CD1 3.54Å; I372-L394 HydrophobicContact CG2-CD2 3.92Å; I372-L394 HydrophobicContact CG2-CG 3.44Å; I372-L394 VanDerWaalsContact CG2-CG 3.44Å; I372-F396 HydrophobicContact CG1-CD2 3.76Å; I372-F396 HydrophobicContact CG1-CE2 4.39Å; I372-F396 HydrophobicContact CG1-CG 4.5Å
373	T	98.5	Very high	97.2	Very high	65 Å²	65	59.6 Å²	59.6	40%	0.399	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	147	174.6	54.2	0	0	0	0	109.6	F312 C313 D395	F312-T373 WeakPolarHBondContact O-CA 3.4Å; C313-T373 HydrophobicContact CB-CG2 4.42Å; T373-D395 PolarHBondContact N-O 2.77Å; T373-D395 PolarHBondContact O-N 2.66Å; T373-D395 VanDerWaalsContact O-O 3.07Å
374	G	97.9	Very high	97	Very high	16 Å²	16	57.1 Å²	57.1	17%	0.165	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.5	-169.5	-177.9	0	0	0	0	0	113.6	A311 F312 E393	A311-G374 CarbonylContact C-O 3.52Å; A311-G374 VanDerWaalsContact CA-O 3.23Å; A311-G374 WeakPolarHBondContact CA-O 3.42Å; F312-G374 PolarHBondContact N-O 3.04Å; F312-G374 PolarHBondContact O-N 2.91Å; G374-E393 CarbonylContact C-O 3.58Å; G374-E393 WeakPolarHBondContact CA-O 3.46Å
375	S	98.6	Very high	96.6	Very high	14 Å²	14	62.5 Å²	62.5	10%	0.098	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	145	173.6	84.8	0	0	0	0	111	S310 F392 E393	S310-S375 CarbonylContact O-C 3.51Å; S310-S375 VanDerWaalsContact O-CA 3.26Å; S310-S375 WeakPolarHBondContact O-CA 3.13Å; S375-F392 WeakPolarHBondContact O-CA 3.29Å; S375-E393 PolarHBondContact N-O 2.87Å; S375-E393 PolarHBondContact O-N 2.92Å; S375-E393 PolarHBondContact OG-OE2 3.01Å
376	I	98.7	Very high	96.2	Very high	0 Å²	0	67 Å²	67	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.9	165.7	-177	-178.4	0	0	0	107.8	V293 T309 S310 T327 F390 F392	V293-I376 HydrophobicContact CB-CG2 3.71Å; V293-I376 HydrophobicContact CG1-CG2 3.72Å; V293-I376 HydrophobicContact CG2-CG2 4.18Å; T309-I376 CarbonylContact C-O 3.52Å; T309-I376 VanDerWaalsContact CA-O 3.29Å; T309-I376 WeakPolarHBondContact CA-O 3.45Å; S310-I376 PolarHBondContact N-O 3.23Å; S310-I376 PolarHBondContact O-N 3.49Å; T327-I376 HydrophobicContact CG2-CD1 4.32Å; I376-F390 HydrophobicContact CD1-CD1 4.41Å; I376-F392 HydrophobicContact CB-CD1 4.08Å; I376-F392 HydrophobicContact CB-CE1 3.74Å; I376-F392 HydrophobicContact CB-CZ 4.18Å; I376-F392 HydrophobicContact CD1-CE1 3.83Å; I376-F392 HydrophobicContact CD1-CE2 3.97Å; I376-F392 HydrophobicContact CD1-CZ 3.37Å; I376-F392 HydrophobicContact CG1-CD1 4.27Å; I376-F392 HydrophobicContact CG1-CE1 3.78Å; I376-F392 HydrophobicContact CG1-CE2 4.04Å; I376-F392 HydrophobicContact CG1-CZ 3.67Å
377	T	98.7	Very high	96.1	Very high	32 Å²	32	68.3 Å²	68.3	20%	0.196	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	134.8	167.3	-58.3	0	0	0	0	108.7	F308 T309 F390 T391	F308-T377 CarbonylContact O-C 3.4Å; F308-T377 VanDerWaalsContact O-CA 3.27Å; F308-T377 WeakPolarHBondContact O-CA 3.45Å; T309-T377 WeakPolarHBondContact CB-OG1 3.26Å; T309-T377 VanDerWaalsContact CG2-OG1 3.3Å; T309-T377 WeakPolarHBondContact CG2-OG1 3.04Å; T309-T377 WeakPolarHBondContact OG1-CG2 3.24Å; T309-T377 PolarHBondContact OG1-OG1 2.9Å; T377-F390 CarbonylContact O-C 3.52Å; T377-F390 VanDerWaalsContact O-CA 3.25Å; T377-F390 WeakPolarHBondContact O-CA 3.4Å; T377-T391 PolarHBondContact N-O 2.89Å; T377-T391 PolarHBondContact O-N 2.79Å
378	M	98.2	Very high	96	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	134	176.7	-176.9	-177.8	72.5	0	0	109.5	F210 S307 F308 L388 D389 F390	F210-M378 HydrophobicContact CB-CE 3.91Å; F210-M378 HydrophobicContact CB-SD 4.39Å; F210-M378 HydrophobicContact CD2-CE 3Å; F210-M378 HydrophobicContact CD2-SD 3.92Å; F210-M378 HydrophobicContact CE2-CE 3.5Å; F210-M378 VanDerWaalsContact CE2-CE 3.5Å; F210-M378 HydrophobicContact CG-CE 3.59Å; F210-M378 HydrophobicContact CZ-CE 4.45Å; S307-M378 WeakPolarHBondContact CA-O 3.33Å; F308-M378 HydrophobicContact CD1-CE 4.22Å; F308-M378 HydrophobicContact CE1-CB 4.44Å; F308-M378 HydrophobicContact CE1-CE 3.22Å; F308-M378 HydrophobicContact CZ-CB 4.32Å; F308-M378 HydrophobicContact CZ-CE 3.61Å; F308-M378 PolarHBondContact N-O 3Å; F308-M378 PolarHBondContact O-N 3.14Å; M378-L388 HydrophobicContact CG-CD2 4.42Å; M378-L388 HydrophobicContact SD-CD1 4.08Å; M378-D389 WeakPolarHBondContact CA-O 3.14Å; M378-F390 HydrophobicContact CB-CD1 4.05Å; M378-F390 HydrophobicContact CB-CE1 4.25Å; M378-F390 HydrophobicContact CG-CD1 3.81Å; M378-F390 HydrophobicContact CG-CE1 3.6Å; M378-F390 HydrophobicContact CG-CZ 4.16Å; M378-F390 HydrophobicContact SD-CD1 4.11Å; M378-F390 HydrophobicContact SD-CE1 3.35Å; M378-F390 WeakPolarHBondContact SD-CE1 3.27Å; M378-F390 HydrophobicContact SD-CZ 3.9Å
379	K	96.8	Very high	96	Very high	87 Å²	87	56.3 Å²	56.3	38%	0.378	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	154.6	178.9	61.8	-179.5	-178.5	174.6	0	111.2	D389	K379-D389 HydrophobicContact CG-CB 4.12Å; K379-D389 PolarHBondContact N-O 2.9Å; K379-D389 PolarHBondContact O-N 2.83Å
380	P	95	Very high	96	Very high	38 Å²	38	54.1 Å²	54.1	25%	0.247	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	144.5	168.3	-21.6	33.4	0	0	0	111.3	S307	S307-P380 VanDerWaalsContact OG-CD 3.24Å; S307-P380 WeakPolarHBondContact OG-CD 3.44Å
381	N	94.1	Very high	96	Very high	21 Å²	21	54 Å²	54	11%	0.112	27%	0.268	C	S	.	.			trans	-69.2	140.5	174.4	-174.8	-86	0	0	0	111.2	K383 N384 D387 D389	N381-K383 VanDerWaalsContact C-N 3.28Å; N381-K383 PolarHBondContact O-N 3.39Å; N381-K383 WeakPolarHBondContact OD1-CB 3.3Å; N381-K383 PolarHBondContact OD1-N 3.48Å; N381-N384 WeakPolarHBondContact CB-O 3.47Å; N381-N384 CarbonylContact O-C 3.49Å; N381-N384 PolarHBondContact OD1-N 3.23Å; N381-D387 HydrophobicContact CB-CB 3.78Å; N381-D387 PolarHBondContact N-O 2.83Å; N381-D389 VanDerWaalsContact ND2-CG 3.31Å; N381-D389 PolarHBondContact ND2-OD1 2.91Å; N381-D389 PolarHBondContact ND2-OD2 2.8Å
382	E	90.5	Very high	96	Very high	174 Å²	174	49.1 Å²	49.1	81%	0.813	25%	0.246	S	C	*	.	S	Bend	trans	-64.2	-28.8	-177.6	-66.3	177.7	-176.8	0	0	114
383	K	91.5	Very high	95.9	Very high	202 Å²	202	53.7 Å²	53.7	88%	0.878	27%	0.267	S	S	*	.	S	Bend	trans	-88.9	-37.3	-178.5	-63.8	-177.8	179.4	179.2	0	112.4	N381	N381-K383 VanDerWaalsContact C-N 3.28Å; N381-K383 PolarHBondContact O-N 3.39Å; N381-K383 WeakPolarHBondContact OD1-CB 3.3Å; N381-K383 PolarHBondContact OD1-N 3.48Å
384	N	91.6	Very high	95.9	Very high	65 Å²	65	50.8 Å²	50.8	35%	0.348	25%	0.249	S	C	.	.			trans	-137.6	106.8	179.1	-179.3	12.9	0	0	0	109.6	N381 R386 D387	N381-N384 WeakPolarHBondContact CB-O 3.47Å; N381-N384 CarbonylContact O-C 3.49Å; N381-N384 PolarHBondContact OD1-N 3.23Å; N384-R386 PolarHBondContact O-N 2.97Å; N384-R386 PolarHBondContact OD1-N 2.84Å; N384-D387 HydrophobicContact CB-CB 4.49Å; N384-D387 VanDerWaalsContact ND2-CG 3.34Å; N384-D387 PolarHBondContact ND2-OD1 2.74Å; N384-D387 PolarHBondContact ND2-OD2 3.21Å; N384-D387 PolarHBondContact O-N 2.85Å
385	I	90.9	Very high	95.8	Very high	116 Å²	116	53.8 Å²	53.8	60%	0.595	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-11.6	-176.6	64.6	172	0	0	0	114.1	S213	S213-I385 VanDerWaalsContact CB-O 3.3Å; S213-I385 WeakPolarHBondContact CB-O 3.32Å; S213-I385 PolarHBondContact OG-O 3.09Å
386	R	90.8	Very high	95.8	Very high	108 Å²	108	53.2 Å²	53.2	41%	0.408	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-22.3	174.4	-57.9	-165.9	87.2	-162.4	0.3	112.7	E212 N384	E212-R386 WeakPolarHBondContact CA-O 3.49Å; E212-R386 PolarHBondContact N-O 2.8Å; E212-R386 VanDerWaalsContact N-O 3.1Å; E212-R386 PolarHBondContact O-NE 3.49Å; E212-R386 IonicContact OE2-CZ 3.36Å; E212-R386 IonicContact OE2-NH2 3.7Å; E212-R386 PolarHBondContact OE2-NH2 3.28Å; N384-R386 PolarHBondContact O-N 2.97Å; N384-R386 PolarHBondContact OD1-N 2.84Å
387	D	94.8	Very high	95.8	Very high	29 Å²	29	61.2 Å²	61.2	16%	0.155	29%	0.292	C	S	.	.	S	Bend	trans	-83.6	155.5	175.7	-56.7	-5.3	0	0	0	109.5	N381 N384 M411 R412	N381-D387 HydrophobicContact CB-CB 3.78Å; N381-D387 PolarHBondContact N-O 2.83Å; N384-D387 HydrophobicContact CB-CB 4.49Å; N384-D387 VanDerWaalsContact ND2-CG 3.34Å; N384-D387 PolarHBondContact ND2-OD1 2.74Å; N384-D387 PolarHBondContact ND2-OD2 3.21Å; N384-D387 PolarHBondContact O-N 2.85Å; D387-M411 WeakPolarHBondContact CA-O 3.28Å; D387-M411 WeakPolarHBondContact CB-O 3.39Å; D387-R412 HydrophobicContact CB-CB 4.47Å
388	L	96.9	Very high	95.7	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131.4	178.1	-68.6	177.8	0	0	0	111.5	F210 M378 F390 K410 M411	F210-L388 HydrophobicContact CB-CD1 4.11Å; M378-L388 HydrophobicContact CG-CD2 4.42Å; M378-L388 HydrophobicContact SD-CD1 4.08Å; L388-F390 HydrophobicContact CB-CD2 4.21Å; L388-F390 HydrophobicContact CB-CE2 3.46Å; L388-F390 VanDerWaalsContact CB-CE2 3.46Å; L388-F390 HydrophobicContact CB-CZ 3.86Å; L388-F390 HydrophobicContact CD1-CE2 4.15Å; L388-F390 HydrophobicContact CD1-CZ 3.7Å; L388-F390 HydrophobicContact CG-CE2 4.49Å; L388-F390 HydrophobicContact CG-CZ 4.46Å; L388-K410 WeakPolarHBondContact O-CA 3.25Å; L388-M411 HydrophobicContact CB-CB 4.42Å; L388-M411 PolarHBondContact N-O 3.36Å; L388-M411 PolarHBondContact O-N 2.96Å
389	D	98.1	Very high	95.6	Very high	24 Å²	24	66.7 Å²	66.7	13%	0.128	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	131.4	166.2	-67.2	-32.3	0	0	0	108.9	M378 K379 N381 K410	M378-D389 WeakPolarHBondContact CA-O 3.14Å; K379-D389 HydrophobicContact CG-CB 4.12Å; K379-D389 PolarHBondContact N-O 2.9Å; K379-D389 PolarHBondContact O-N 2.83Å; N381-D389 VanDerWaalsContact ND2-CG 3.31Å; N381-D389 PolarHBondContact ND2-OD1 2.91Å; N381-D389 PolarHBondContact ND2-OD2 2.8Å; D389-K410 WeakPolarHBondContact OD1-CE 3.49Å; D389-K410 WeakPolarHBondContact OD1-CG 3.41Å
390	F	98.4	Very high	95.6	Very high	1 Å²	1	66.3 Å²	66.3	0%	0.004	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	144.2	175.1	-58.2	-101.2	0	0	0	109.9	F358 I376 T377 M378 L388 D408 Y409 M411	F358-F390 HydrophobicContact CE1-CB 4.26Å; F358-F390 AromaticContact CE1-CD1 3.99Å; F358-F390 HydrophobicContact CE1-CD1 3.99Å; F358-F390 HydrophobicContact CE1-CD2 4.05Å; F358-F390 HydrophobicContact CE1-CE1 4.3Å; F358-F390 HydrophobicContact CE1-CE2 4.37Å; F358-F390 AromaticContact CE1-CG 3.85Å; F358-F390 HydrophobicContact CE1-CG 3.85Å; F358-F390 HydrophobicContact CE1-CZ 4.49Å; F358-F390 HydrophobicContact CZ-CD1 4.06Å; F358-F390 AromaticContact CZ-CE1 3.98Å; F358-F390 HydrophobicContact CZ-CE1 3.98Å; F358-F390 HydrophobicContact CZ-CG 4.36Å; F358-F390 HydrophobicContact CZ-CZ 4.25Å; I376-F390 HydrophobicContact CD1-CD1 4.41Å; T377-F390 CarbonylContact O-C 3.52Å; T377-F390 VanDerWaalsContact O-CA 3.25Å; T377-F390 WeakPolarHBondContact O-CA 3.4Å; M378-F390 HydrophobicContact CB-CD1 4.05Å; M378-F390 HydrophobicContact CB-CE1 4.25Å; M378-F390 HydrophobicContact CG-CD1 3.81Å; M378-F390 HydrophobicContact CG-CE1 3.6Å; M378-F390 HydrophobicContact CG-CZ 4.16Å; M378-F390 HydrophobicContact SD-CD1 4.11Å; M378-F390 HydrophobicContact SD-CE1 3.35Å; M378-F390 WeakPolarHBondContact SD-CE1 3.27Å; M378-F390 HydrophobicContact SD-CZ 3.9Å; L388-F390 HydrophobicContact CB-CD2 4.21Å; L388-F390 HydrophobicContact CB-CE2 3.46Å; L388-F390 VanDerWaalsContact CB-CE2 3.46Å; L388-F390 HydrophobicContact CB-CZ 3.86Å; L388-F390 HydrophobicContact CD1-CE2 4.15Å; L388-F390 HydrophobicContact CD1-CZ 3.7Å; L388-F390 HydrophobicContact CG-CE2 4.49Å; L388-F390 HydrophobicContact CG-CZ 4.46Å; F390-D408 CarbonylContact O-C 3.52Å; F390-D408 VanDerWaalsContact O-CA 3.29Å; F390-D408 WeakPolarHBondContact O-CA 3.33Å; F390-Y409 PolarHBondContact N-O 2.81Å; F390-Y409 PolarHBondContact O-N 2.82Å; F390-M411 HydrophobicContact CE2-CB 3.87Å
391	T	98.6	Very high	95.7	Very high	32 Å²	32	66 Å²	66	20%	0.196	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	121.6	165.7	-57.5	0	0	0	0	108	T377 E393 H407 D408	T377-T391 PolarHBondContact N-O 2.89Å; T377-T391 PolarHBondContact O-N 2.79Å; T391-E393 HydrophobicContact CG2-CG 4.43Å; T391-H407 WeakPolarHBondContact CA-O 3.46Å; T391-D408 WeakPolarHBondContact CB-OD1 3.49Å; T391-D408 VanDerWaalsContact CG2-OD1 3.31Å; T391-D408 WeakPolarHBondContact CG2-OD1 3.34Å; T391-D408 PolarHBondContact OG1-OD1 2.78Å
392	F	98.3	Very high	95.8	Very high	3 Å²	3	72.3 Å²	72.3	1%	0.013	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123.9	169.6	-82.3	-87.7	0	0	0	109.6	V241 F312 L325 T327 F358 S375 I376 S406 H407 Y409	V241-F392 HydrophobicContact CG2-CE1 4.13Å; F312-F392 AromaticContact CE1-CD1 3.85Å; F312-F392 HydrophobicContact CE1-CD1 3.85Å; F312-F392 HydrophobicContact CE1-CE1 4.15Å; F312-F392 HydrophobicContact CZ-CD1 4.26Å; L325-F392 HydrophobicContact CB-CE1 4.47Å; L325-F392 HydrophobicContact CD1-CB 4.49Å; L325-F392 HydrophobicContact CD1-CD1 3.32Å; L325-F392 HydrophobicContact CD1-CE1 3.54Å; L325-F392 HydrophobicContact CD1-CG 3.97Å; L325-F392 HydrophobicContact CD1-CZ 4.35Å; T327-F392 HydrophobicContact CG2-CZ 4.33Å; F358-F392 HydrophobicContact CB-CE2 4.3Å; F358-F392 HydrophobicContact CD1-CD2 4.18Å; F358-F392 AromaticContact CD1-CE2 3.61Å; F358-F392 HydrophobicContact CD1-CE2 3.61Å; F358-F392 HydrophobicContact CD2-CE2 4.03Å; F358-F392 HydrophobicContact CD2-CZ 4.27Å; F358-F392 AromaticContact CE1-CE2 3.83Å; F358-F392 HydrophobicContact CE1-CE2 3.83Å; F358-F392 HydrophobicContact CE2-CE2 4.25Å; F358-F392 HydrophobicContact CE2-CZ 4.43Å; F358-F392 HydrophobicContact CG-CD2 4.4Å; F358-F392 AromaticContact CG-CE2 3.72Å; F358-F392 HydrophobicContact CG-CE2 3.72Å; F358-F392 HydrophobicContact CG-CZ 4.35Å; F358-F392 HydrophobicContact CZ-CE2 4.14Å; S375-F392 WeakPolarHBondContact O-CA 3.29Å; I376-F392 HydrophobicContact CB-CD1 4.08Å; I376-F392 HydrophobicContact CB-CE1 3.74Å; I376-F392 HydrophobicContact CB-CZ 4.18Å; I376-F392 HydrophobicContact CD1-CE1 3.83Å; I376-F392 HydrophobicContact CD1-CE2 3.97Å; I376-F392 HydrophobicContact CD1-CZ 3.37Å; I376-F392 HydrophobicContact CG1-CD1 4.27Å; I376-F392 HydrophobicContact CG1-CE1 3.78Å; I376-F392 HydrophobicContact CG1-CE2 4.04Å; I376-F392 HydrophobicContact CG1-CZ 3.67Å; F392-S406 CarbonylContact O-C 3.57Å; F392-S406 WeakPolarHBondContact O-CA 3.29Å; F392-H407 PolarHBondContact N-O 2.9Å; F392-H407 PolarHBondContact O-N 2.76Å; F392-Y409 HydrophobicContact CB-CE2 4.22Å; F392-Y409 AromaticContact CD2-CD2 3.96Å; F392-Y409 HydrophobicContact CD2-CD2 3.96Å; F392-Y409 AromaticContact CD2-CE2 3.75Å; F392-Y409 HydrophobicContact CD2-CE2 3.75Å; F392-Y409 HydrophobicContact CG-CE2 4.41Å
393	E	98.1	Very high	96.1	Very high	96 Å²	96	65.3 Å²	65.3	45%	0.449	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	130.3	165.4	-61.2	177.6	152.8	0	0	107.9	G374 S375 T391 I405	G374-E393 CarbonylContact C-O 3.58Å; G374-E393 WeakPolarHBondContact CA-O 3.46Å; S375-E393 PolarHBondContact N-O 2.87Å; S375-E393 PolarHBondContact O-N 2.92Å; S375-E393 PolarHBondContact OG-OE2 3.01Å; T391-E393 HydrophobicContact CG2-CG 4.43Å; E393-I405 CarbonylContact C-O 3.5Å; E393-I405 VanDerWaalsContact CA-O 3.31Å; E393-I405 WeakPolarHBondContact CA-O 3.5Å
394	L	96.6	Very high	96.3	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.016	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	127.7	-174.5	-179.1	156.4	0	0	0	109.5	L325 L360 L364 I372 F396 A404 I405	L325-L394 HydrophobicContact CD1-CD1 4.27Å; L325-L394 HydrophobicContact CD2-CD1 4.37Å; L360-L394 HydrophobicContact CD1-CD1 4.49Å; L360-L394 HydrophobicContact CD2-CD1 4.49Å; L364-L394 HydrophobicContact CD1-CD1 4.33Å; L364-L394 HydrophobicContact CD1-CD2 3.95Å; I372-L394 HydrophobicContact CG2-CD1 3.54Å; I372-L394 HydrophobicContact CG2-CD2 3.92Å; I372-L394 HydrophobicContact CG2-CG 3.44Å; I372-L394 VanDerWaalsContact CG2-CG 3.44Å; L394-F396 HydrophobicContact CD2-CB 4.01Å; L394-A404 CarbonylContact O-C 3.47Å; L394-A404 WeakPolarHBondContact O-CA 3.31Å; L394-I405 HydrophobicContact CB-CB 4.34Å; L394-I405 HydrophobicContact CD2-CD1 4.36Å; L394-I405 PolarHBondContact N-O 2.77Å; L394-I405 PolarHBondContact O-N 3.39Å
395	D	97.6	Very high	96.5	Very high	79 Å²	79	58.3 Å²	58.3	42%	0.422	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.7	169.2	-75.9	-64.4	0	0	0	109.7	T373 A403 A404	T373-D395 PolarHBondContact N-O 2.77Å; T373-D395 PolarHBondContact O-N 2.66Å; T373-D395 VanDerWaalsContact O-O 3.07Å; D395-A403 WeakPolarHBondContact CA-O 3.4Å; D395-A404 WeakPolarHBondContact OD1-CB 3.36Å
396	F	98.3	Very high	96.7	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.009	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	126.4	175.2	177.8	-105.9	0	0	0	109.8	I316 L364 V366 E370 E371 I372 L394 C401 E402 A403	I316-F396 HydrophobicContact CD1-CE2 4.02Å; L364-F396 HydrophobicContact CB-CD1 4.46Å; L364-F396 HydrophobicContact CD1-CB 4.15Å; L364-F396 HydrophobicContact CD1-CD1 4.47Å; L364-F396 HydrophobicContact CD1-CG 4.23Å; L364-F396 HydrophobicContact CD2-CD1 4.47Å; V366-F396 HydrophobicContact CB-CZ 4.1Å; V366-F396 HydrophobicContact CG1-CE1 4.01Å; V366-F396 HydrophobicContact CG1-CE2 3.91Å; V366-F396 HydrophobicContact CG1-CZ 3.54Å; E370-F396 HydrophobicContact CB-CE2 4.02Å; E370-F396 HydrophobicContact CB-CZ 4.36Å; E370-F396 WeakPolarHBondContact OE2-CZ 3.24Å; E371-F396 WeakPolarHBondContact O-CD2 3.47Å; I372-F396 HydrophobicContact CG1-CD2 3.76Å; I372-F396 HydrophobicContact CG1-CE2 4.39Å; I372-F396 HydrophobicContact CG1-CG 4.5Å; L394-F396 HydrophobicContact CD2-CB 4.01Å; F396-C401 WeakPolarHBondContact CD1-O 3.29Å; F396-C401 WeakPolarHBondContact CE1-O 3.36Å; F396-C401 WeakPolarHBondContact CE1-SG 3.35Å; F396-E402 CarbonylContact O-C 3.53Å; F396-E402 VanDerWaalsContact O-CA 3.28Å; F396-E402 WeakPolarHBondContact O-CA 3.33Å; F396-A403 PolarHBondContact N-O 3.14Å; F396-A403 PolarHBondContact O-N 2.85Å
397	K	97.9	Very high	97	Very high	168 Å²	168	52.7 Å²	52.7	73%	0.73	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	79.6	175.7	-67.7	-179.1	-178.4	175.1	0	109.4	E402	K397-E402 HydrophobicContact CG-CG 4.45Å
398	G	96.7	Very high	97.1	Very high	10 Å²	10	55.7 Å²	55.7	10%	0.103	30%	0.303	C	S	.	.			trans	-93.3	171	176.1	0	0	0	0	0	112.1	E370 L400 C401	E370-G398 VanDerWaalsContact OE1-CA 3.29Å; E370-G398 WeakPolarHBondContact OE1-CA 3.04Å; G398-L400 PolarHBondContact O-N 3.41Å; G398-C401 WeakPolarHBondContact CA-O 3.49Å; G398-C401 PolarHBondContact N-O 3.03Å
399	Q	96.9	Very high	97.2	Very high	138 Å²	138	55.5 Å²	55.5	65%	0.645	30%	0.302	S	S	*	.	S	Bend	trans	-66.5	-28.6	177	-169.8	-176.1	13.1	0	0	112.7	E370	E370-Q399 PolarHBondContact OE1-N 3.34Å
400	L	96.6	Very high	97.1	Very high	79 Å²	79	59.3 Å²	59.3	41%	0.414	32%	0.317	S	S	.	.	S	Bend	trans	-104.7	-20.6	-171.6	-61.2	179.6	0	0	0	113.8	M16 T365 R367 G398	M16-L400 HydrophobicContact CE-CD1 3.44Å; M16-L400 VanDerWaalsContact CE-CD1 3.44Å; T365-L400 HydrophobicContact CG2-CB 3.89Å; T365-L400 HydrophobicContact CG2-CD1 3.78Å; R367-L400 HydrophobicContact CG-CD1 4.04Å; R367-L400 HydrophobicContact CG-CG 4.46Å; G398-L400 PolarHBondContact O-N 3.41Å
401	C	96.4	Very high	97	Very high	33 Å²	33	59.8 Å²	59.8	22%	0.223	32%	0.32	C	S	.	.			trans	-156.6	156.4	170.2	68.1	0	0	0	0	111.5	T365 F396 G398	T365-C401 PolarHBondContact N-SG 3.18Å; T365-C401 PolarHBondContact O-SG 3Å; T365-C401 VanDerWaalsContact O-SG 3.41Å; F396-C401 WeakPolarHBondContact CD1-O 3.29Å; F396-C401 WeakPolarHBondContact CE1-O 3.36Å; F396-C401 WeakPolarHBondContact CE1-SG 3.35Å; G398-C401 WeakPolarHBondContact CA-O 3.49Å; G398-C401 PolarHBondContact N-O 3.03Å
402	E	96.9	Very high	96.6	Very high	153 Å²	153	66.5 Å²	66.5	72%	0.715	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	140.6	168.9	-61	-177	-171.7	0	0	108.3	F396 K397	F396-E402 CarbonylContact O-C 3.53Å; F396-E402 VanDerWaalsContact O-CA 3.28Å; F396-E402 WeakPolarHBondContact O-CA 3.33Å; K397-E402 HydrophobicContact CG-CG 4.45Å
403	A	95.9	Very high	96.5	Very high	26 Å²	26	69.7 Å²	69.7	22%	0.215	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	139.4	178.3	0	0	0	0	0	110.3	L364 D395 F396 I405	L364-A403 HydrophobicContact CD2-CB 3.54Å; D395-A403 WeakPolarHBondContact CA-O 3.4Å; F396-A403 PolarHBondContact N-O 3.14Å; F396-A403 PolarHBondContact O-N 2.85Å; A403-I405 HydrophobicContact CB-CD1 4.21Å; A403-I405 HydrophobicContact CB-CG1 4.19Å
404	A	96.3	Very high	96.5	Very high	83 Å²	83	68.3 Å²	68.3	69%	0.686	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.5	110.3	166.1	0	0	0	0	0	106.4	L394 D395	L394-A404 CarbonylContact O-C 3.47Å; L394-A404 WeakPolarHBondContact O-CA 3.31Å; D395-A404 WeakPolarHBondContact OD1-CB 3.36Å
405	I	95	Very high	96.5	Very high	38 Å²	38	71.9 Å²	71.9	20%	0.195	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135.3	-169.5	-56.6	176	0	0	0	108.3	L364 E393 L394 A403 H407	L364-I405 HydrophobicContact CD2-CD1 4.35Å; E393-I405 CarbonylContact C-O 3.5Å; E393-I405 VanDerWaalsContact CA-O 3.31Å; E393-I405 WeakPolarHBondContact CA-O 3.5Å; L394-I405 HydrophobicContact CB-CB 4.34Å; L394-I405 HydrophobicContact CD2-CD1 4.36Å; L394-I405 PolarHBondContact N-O 2.77Å; L394-I405 PolarHBondContact O-N 3.39Å; A403-I405 HydrophobicContact CB-CD1 4.21Å; A403-I405 HydrophobicContact CB-CG1 4.19Å; I405-H407 HydrophobicContact CG2-CB 4.32Å
406	S	96.6	Very high	96.4	Very high	82 Å²	82	71.5 Å²	71.5	57%	0.573	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.9	119.7	164.4	-177.9	0	0	0	0	107.4	F392	F392-S406 CarbonylContact O-C 3.57Å; F392-S406 WeakPolarHBondContact O-CA 3.29Å
407	H	96.1	Very high	96.3	Very high	24 Å²	24	75.9 Å²	75.9	11%	0.111	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	128.9	-174.5	-156.7	125.1	0	0	0	111.2	T391 F392 I405 Y409	T391-H407 WeakPolarHBondContact CA-O 3.46Å; F392-H407 PolarHBondContact N-O 2.9Å; F392-H407 PolarHBondContact O-N 2.76Å; I405-H407 HydrophobicContact CG2-CB 4.32Å; H407-Y409 HydrophobicContact CB-CE2 3.76Å; H407-Y409 AromaticContact CD2-CE1 3.69Å; H407-Y409 AromaticContact CD2-CE2 3.74Å; H407-Y409 AromaticContact CD2-CZ 3.5Å; H407-Y409 AromaticContact CG-CE2 3.9Å; H407-Y409 AromaticContact CG-CZ 3.64Å; H407-Y409 AromaticContact NE2-CE1 3.99Å; H407-Y409 WeakPolarHBondContact O-CE2 3.31Å
408	D	97.8	Very high	96.2	Very high	91 Å²	91	69.7 Å²	69.7	49%	0.487	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	130.3	176.2	-64.2	-34.7	0	0	0	111.9	F390 T391	F390-D408 CarbonylContact O-C 3.52Å; F390-D408 VanDerWaalsContact O-CA 3.29Å; F390-D408 WeakPolarHBondContact O-CA 3.33Å; T391-D408 WeakPolarHBondContact CB-OD1 3.49Å; T391-D408 VanDerWaalsContact CG2-OD1 3.31Å; T391-D408 WeakPolarHBondContact CG2-OD1 3.34Å; T391-D408 PolarHBondContact OG1-OD1 2.78Å
409	Y	98.2	Very high	96.1	Very high	1 Å²	1	74 Å²	74	0%	0.004	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	155.8	176.6	-50.5	-99.1	0	0	0	111.3	M273 K274 F358 Y359 F390 F392 H407	M273-Y409 WeakPolarHBondContact O-CE1 3.38Å; K274-Y409 CarbonylContact O-C 3.47Å; K274-Y409 WeakPolarHBondContact O-CA 3.01Å; K274-Y409 WeakPolarHBondContact O-CB 3.23Å; F358-Y409 HydrophobicContact CB-CE1 4.11Å; F358-Y409 HydrophobicContact CB-CE2 4.37Å; F358-Y409 HydrophobicContact CD1-CD1 4.05Å; F358-Y409 AromaticContact CD1-CD2 3.89Å; F358-Y409 HydrophobicContact CD1-CD2 3.89Å; F358-Y409 HydrophobicContact CD1-CE1 4.43Å; F358-Y409 HydrophobicContact CD1-CE2 4.28Å; F358-Y409 AromaticContact CD1-CG 3.77Å; F358-Y409 HydrophobicContact CD1-CG 3.77Å; F358-Y409 HydrophobicContact CE1-CG 4.46Å; Y359-Y409 PolarHBondContact O-OH 3.47Å; F390-Y409 PolarHBondContact N-O 2.81Å; F390-Y409 PolarHBondContact O-N 2.82Å; F392-Y409 HydrophobicContact CB-CE2 4.22Å; F392-Y409 AromaticContact CD2-CD2 3.96Å; F392-Y409 HydrophobicContact CD2-CD2 3.96Å; F392-Y409 AromaticContact CD2-CE2 3.75Å; F392-Y409 HydrophobicContact CD2-CE2 3.75Å; F392-Y409 HydrophobicContact CG-CE2 4.41Å; H407-Y409 HydrophobicContact CB-CE2 3.76Å; H407-Y409 AromaticContact CD2-CE1 3.69Å; H407-Y409 AromaticContact CD2-CE2 3.74Å; H407-Y409 AromaticContact CD2-CZ 3.5Å; H407-Y409 AromaticContact CG-CE2 3.9Å; H407-Y409 AromaticContact CG-CZ 3.64Å; H407-Y409 AromaticContact NE2-CE1 3.99Å; H407-Y409 WeakPolarHBondContact O-CE2 3.31Å
410	K	97.1	Very high	96.1	Very high	103 Å²	103	69.1 Å²	69.1	45%	0.448	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	121.1	178.3	-61.1	-168.9	173.5	-176.7	0	110.4	K274 P276 L388 D389	K274-K410 PolarHBondContact O-N 3.28Å; P276-K410 VanDerWaalsContact CD-O 3.24Å; P276-K410 WeakPolarHBondContact CD-O 3.31Å; L388-K410 WeakPolarHBondContact O-CA 3.25Å; D389-K410 WeakPolarHBondContact OD1-CE 3.49Å; D389-K410 WeakPolarHBondContact OD1-CG 3.41Å
411	M	96.4	Very high	96	Very high	12 Å²	12	68.3 Å²	68.3	6%	0.059	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.8	171.2	-173.6	179.3	-76.6	0	0	108.5	Y211 P276 V278 T356 D387 L388 F390	Y211-M411 HydrophobicContact CD1-SD 4.31Å; Y211-M411 HydrophobicContact CD2-CB 4.23Å; Y211-M411 HydrophobicContact CD2-CG 3.53Å; Y211-M411 HydrophobicContact CD2-SD 3.6Å; Y211-M411 VanDerWaalsContact CD2-SD 3.6Å; Y211-M411 HydrophobicContact CE2-CB 4.46Å; Y211-M411 HydrophobicContact CE2-CG 3.74Å; Y211-M411 HydrophobicContact CE2-SD 4.34Å; Y211-M411 HydrophobicContact CG-CG 4.09Å; Y211-M411 HydrophobicContact CG-SD 3.58Å; Y211-M411 VanDerWaalsContact CG-SD 3.58Å; P276-M411 HydrophobicContact CB-CE 4.03Å; P276-M411 HydrophobicContact CG-CB 4.47Å; P276-M411 HydrophobicContact CG-CE 4.4Å; V278-M411 HydrophobicContact CG2-CE 4.36Å; T356-M411 HydrophobicContact CG2-CE 3.28Å; D387-M411 WeakPolarHBondContact CA-O 3.28Å; D387-M411 WeakPolarHBondContact CB-O 3.39Å; L388-M411 HydrophobicContact CB-CB 4.42Å; L388-M411 PolarHBondContact N-O 3.36Å; L388-M411 PolarHBondContact O-N 2.96Å; F390-M411 HydrophobicContact CE2-CB 3.87Å
412	R	89.7	Confident	96	Very high	173 Å²	173	71.5 Å²	71.5	65%	0.653	38%	0.377	S	S	*	.			trans	-143.6	0	-168.7	44.4	175.9	169.6	-178.3	-4.6	110.9	Y211 E275 D387	Y211-R412 PolarHBondContact OH-OXT 2.85Å; E275-R412 IonicContact OE1-CZ 3.14Å; E275-R412 IonicContact OE1-NE 2.8Å; E275-R412 PolarHBondContact OE1-NE 3Å; E275-R412 IonicContact OE1-NH2 3.42Å; E275-R412 PolarHBondContact OE1-NH2 3.41Å; D387-R412 HydrophobicContact CB-CB 4.47Å

Retrieved 412 of 412 residues in 286.2 ms (Link to these results)

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