A0A096N0U7_PAPAN Loading...

Beta-galactosidase

AlphaFold DB , UniProt , Accession A0A096N0U7, Species PAPAN (Papio anubis, Olive baboon), Gene GLB1L3, Length 653 aa.

Structure Viewer

Loading PAE data...

(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	33.6	Very low	35.1	Very low	239 Å²	239	156.9 Å²	156.9	100%	1.177	84%	0.84	S	S	*	*				0	127.2	0	-83.8	176.3	171.2	0	0	108.4
2	K	32.4	Very low	34.5	Very low	203 Å²	203	151.7 Å²	151.7	88%	0.883	83%	0.825	S	S	*	*			trans	54.7	105.9	165.1	-74.8	-172.8	179.5	-179.1	0	116.5
3	S	28.7	Very low	34	Very low	106 Å²	106	156.3 Å²	156.3	74%	0.741	82%	0.823	S	S	*	*				152.1	-176.2	81	-61.5	0	0	0	0	107.3
4	P	44.4	Very low	33.7	Very low	124 Å²	124	158.5 Å²	158.5	81%	0.805	82%	0.815	S	S	*	*				-125.3	-144.9	-90.1	44.9	-23.6	0	0	0	111.6
5	P	53.4	Low	33.3	Very low	118 Å²	118	162.9 Å²	162.9	77%	0.766	82%	0.817	S	S	*	*			trans	-106.1	167.8	-134.6	35.3	-15.1	0	0	0	115.3
6	L	33.4	Very low	33.1	Very low	174 Å²	174	162.6 Å²	162.6	91%	0.911	82%	0.815	S	S	*	*			trans	-141.7	144.9	172.7	-94.1	161.2	0	0	0	113.8
7	L	30.4	Very low	32.8	Very low	159 Å²	159	159.8 Å²	159.8	83%	0.832	81%	0.808	S	S	*	*			trans	-71.3	162.4	-179.2	-74.4	106.4	0	0	0	114.2
8	S	29.7	Very low	32.6	Very low	102 Å²	102	155.6 Å²	155.6	71%	0.713	81%	0.811	S	S	*	*			trans	-46.6	174.4	165.9	82.3	0	0	0	0	114.7
9	P	44.2	Very low	32.4	Very low	103 Å²	103	152.2 Å²	152.2	67%	0.669	80%	0.798	S	S	*	*			cis	-154.7	174.4	38.2	33.5	-6.9	0	0	0	119.5
10	R	27.2	Very low	32.1	Very low	231 Å²	231	155.4 Å²	155.4	87%	0.872	81%	0.805	S	S	*	*			trans	46.3	129.1	139.2	-68.9	173.5	-177.7	-166.9	1.3	122.7
11	L	28.6	Very low	31.8	Very low	167 Å²	167	156.1 Å²	156.1	87%	0.874	80%	0.802	S	S	*	*				-166.1	108.7	126.8	-98.8	129.2	0	0	0	107.6
12	S	28.1	Very low	31.4	Very low	94 Å²	94	151 Å²	151	66%	0.657	78%	0.779	S	S	*	*				72.9	101.1	81.7	176.2	0	0	0	0	112.7
13	W	27.5	Very low	31.2	Very low	212 Å²	212	146.8 Å²	146.8	80%	0.803	77%	0.772	S	S	*	*				69.3	133.6	96.4	-92	14.2	0	0	0	112.8
14	R	29.6	Very low	31.2	Very low	187 Å²	187	151.1 Å²	151.1	71%	0.706	78%	0.778	S	S	*	*			cis	176.1	152.5	45.8	-123.3	168.3	-173.2	-150.8	2.3	108.6
15	R	27.9	Very low	30.4	Very low	224 Å²	224	152.6 Å²	152.6	85%	0.845	78%	0.778	S	S	*	*			trans	172.9	134.2	134.8	-96.7	174.5	-179.9	-160.2	3.1	106.4
16	M	31.3	Very low	29.5	Very low	159 Å²	159	155 Å²	155	78%	0.783	78%	0.783	S	S	*	*			cis	-157.5	147.4	4	-137.5	179	-65.4	0	0	107.4
17	V	27.6	Very low	29.1	Very low	115 Å²	115	152.3 Å²	152.3	70%	0.697	78%	0.776	S	S	*	*			trans	-90.5	137.8	-174.8	166.4	0	0	0	0	109.5	V19	V17-V19 HydrophobicContact CG1-CB 4.49Å; V17-V19 HydrophobicContact CG1-CG2 3.33Å
18	G	28.1	Very low	28.8	Very low	84 Å²	84	148.4 Å²	148.4	87%	0.866	77%	0.767	S	S	*	*			trans	-115.7	110.6	156.2	0	0	0	0	0	108.7
19	V	29.1	Very low	28.8	Very low	91 Å²	91	153.4 Å²	153.4	55%	0.552	78%	0.776	S	S	*	*			trans	-86.7	136.8	-176.5	175.2	0	0	0	0	110.4	V17 F21	V17-V19 HydrophobicContact CG1-CB 4.49Å; V17-V19 HydrophobicContact CG1-CG2 3.33Å; V19-F21 HydrophobicContact CG1-CD2 3.67Å; V19-F21 HydrophobicContact CG1-CE2 3.94Å
20	F	26.4	Very low	27.9	Very low	216 Å²	216	152.7 Å²	152.7	95%	0.947	78%	0.779	S	S	*	*			trans	-145.6	141.2	134.5	-99.8	-76.5	0	0	0	109.9
21	F	26	Very low	27.8	Very low	171 Å²	171	147.4 Å²	147.4	75%	0.75	78%	0.775	S	S	*	*			trans	-83.1	139.7	-165.9	-97.6	-108	0	0	0	114.5	V19	V19-F21 HydrophobicContact CG1-CD2 3.67Å; V19-F21 HydrophobicContact CG1-CE2 3.94Å
22	L	24.6	Very low	27.6	Very low	130 Å²	130	150.6 Å²	150.6	68%	0.681	78%	0.775	S	S	*	*			trans	31	146.9	136.2	-79.6	138.5	0	0	0	121.4	F24	L22-F24 HydrophobicContact CD2-CD2 4.41Å
23	P	28.3	Very low	27.6	Very low	115 Å²	115	156 Å²	156	75%	0.747	79%	0.787	S	S	*	*			cis	-136.1	166.8	38.7	33.7	-12.3	0	0	0	117.3	I25	P23-I25 PolarHBondContact O-N 2.84Å
24	F	29.9	Very low	27.4	Very low	197 Å²	197	155 Å²	155	86%	0.864	79%	0.788	S	S	*	*			trans	-51.1	116	168.4	-98	-101.3	0	0	0	112.8	L22	L22-F24 HydrophobicContact CD2-CD2 4.41Å
25	I	26.8	Very low	27.6	Very low	156 Å²	156	153.5 Å²	153.5	80%	0.8	79%	0.789	S	S	*	*			trans	-148.4	131.1	149.6	-59.2	-172.9	0	0	0	108.4	P23	P23-I25 PolarHBondContact O-N 2.84Å
26	L	34.1	Very low	27.6	Very low	168 Å²	168	151 Å²	151	88%	0.88	79%	0.787	S	S	*	*			trans	-54.8	147.5	171.9	-80.3	143.4	0	0	0	113.1
27	P	25.4	Very low	27.7	Very low	117 Å²	117	152.4 Å²	152.4	76%	0.76	79%	0.792	S	S	*	*			trans	-137.9	112.4	141.1	31.3	-13.6	0	0	0	113.5
28	A	23.8	Very low	28	Very low	78 Å²	78	150.3 Å²	150.3	65%	0.645	78%	0.783	S	S	*	*				20.5	123.4	112.7	0	0	0	0	0	119.8
29	F	30.5	Very low	28.6	Very low	206 Å²	206	151.8 Å²	151.8	90%	0.904	77%	0.77	S	S	*	*			trans	72.2	95.8	138	-68.8	-78.5	0	0	0	121.7
30	A	25.2	Very low	29.4	Very low	89 Å²	89	151.8 Å²	151.8	74%	0.736	77%	0.765	S	S	*	*			trans	-137.9	141.2	136.7	0	0	0	0	0	108.2	R32	A30-R32 PolarHBondContact O-N 3.05Å
31	P	25.7	Very low	30.1	Very low	119 Å²	119	149.6 Å²	149.6	77%	0.773	76%	0.762	S	S	*	*			trans	-75	106.8	-155.5	28.5	-32.4	0	0	0	111.8	F33	P31-F33 PolarHBondContact O-N 3.17Å; P31-F33 VanDerWaalsContact O-N 3.17Å
32	R	24.8	Very low	30.3	Very low	235 Å²	235	144.3 Å²	144.3	89%	0.887	76%	0.756	S	S	*	*			trans	-59.8	113.6	154.2	-83.2	178.8	171.6	173.4	-2.6	107.1	A30 K34	A30-R32 PolarHBondContact O-N 3.05Å; R32-K34 VanDerWaalsContact C-N 3.27Å; R32-K34 PolarHBondContact O-N 3.25Å
33	F	27.5	Very low	30.8	Very low	207 Å²	207	145.3 Å²	145.3	91%	0.908	77%	0.768	S	S	*	*			trans	-57.9	93.9	165.5	-104.3	-93.3	0	0	0	108.4	P31 Q35	P31-F33 PolarHBondContact O-N 3.17Å; P31-F33 VanDerWaalsContact O-N 3.17Å; F33-Q35 PolarHBondContact O-N 3.33Å; F33-Q35 VanDerWaalsContact O-N 3.16Å
34	K	24	Very low	31.2	Very low	190 Å²	190	143.7 Å²	143.7	83%	0.826	76%	0.764	S	S	*	*			trans	-68.3	102.1	161	-85.4	-177.8	173.6	-178.8	0	105.9	R32 E36	R32-K34 VanDerWaalsContact C-N 3.27Å; R32-K34 PolarHBondContact O-N 3.25Å; K34-E36 PolarHBondContact O-N 2.92Å; K34-E36 VanDerWaalsContact O-N 3.09Å
35	Q	32.5	Very low	31.6	Very low	156 Å²	156	143.5 Å²	143.5	73%	0.729	77%	0.765	S	S	*	*			trans	-66.2	103.4	159.9	-169.3	162.2	30.5	0	0	105.6	F33 E37	F33-Q35 PolarHBondContact O-N 3.33Å; F33-Q35 VanDerWaalsContact O-N 3.16Å; Q35-E37 PolarHBondContact O-N 2.94Å; Q35-E37 VanDerWaalsContact O-N 3.08Å
36	E	28.6	Very low	32.4	Very low	172 Å²	172	140.8 Å²	140.8	80%	0.804	76%	0.758	S	S	*	*			trans	-54.7	115	175.5	-81.8	178.7	150	0	0	109.7	K34 S38	K34-E36 PolarHBondContact O-N 2.92Å; K34-E36 VanDerWaalsContact O-N 3.09Å; E36-S38 PolarHBondContact O-N 2.93Å
37	E	33.9	Very low	33.3	Very low	189 Å²	189	138.5 Å²	138.5	88%	0.883	75%	0.753	S	S	*	*			trans	-60.2	84.2	152.2	-73.1	-178.9	130.6	0	0	108.4	Q35	Q35-E37 PolarHBondContact O-N 2.94Å; Q35-E37 VanDerWaalsContact O-N 3.08Å
38	S	32.6	Very low	34.8	Very low	71 Å²	71	137.8 Å²	137.8	50%	0.497	74%	0.739	S	S	.	*			trans	-134.2	87.5	167.2	178.4	0	0	0	0	108.4	E36	E36-S38 PolarHBondContact O-N 2.93Å
39	L	41.2	Very low	36.8	Very low	114 Å²	114	136.2 Å²	136.2	60%	0.597	72%	0.723	S	S	*	*	S	Bend	trans	-118.6	-1.3	158.8	-113.6	153.4	0	0	0	112.5	Y332	L39-Y332 HydrophobicContact CD2-CD1 4.4Å; L39-Y332 HydrophobicContact CD2-CE1 4.31Å
40	M	46.7	Very low	39.1	Very low	91 Å²	91	135.7 Å²	135.7	45%	0.448	72%	0.715	S	S	.	*	S	Bend	trans	-150.1	124	172.5	-67.2	-62.5	173	0	0	109.1
41	L	39.7	Very low	41.8	Very low	170 Å²	170	132.5 Å²	132.5	89%	0.89	68%	0.684	S	S	*	*			trans	80.6	82.8	-175.1	-70.1	94.8	0	0	0	117.2
42	G	31.3	Very low	44.5	Very low	60 Å²	60	130.3 Å²	130.3	62%	0.619	67%	0.666	S	S	*	*			trans	-130.8	113.2	148.6	0	0	0	0	0	108.6	A44	G42-A44 VanDerWaalsContact C-N 3.3Å; G42-A44 PolarHBondContact O-N 3.44Å; G42-A44 VanDerWaalsContact O-N 3.11Å
43	T	35.5	Very low	47.1	Very low	152 Å²	152	120.4 Å²	120.4	93%	0.933	63%	0.629	S	S	*	*			trans	-81.2	76.1	175.2	47.2	0	0	0	0	109.7
44	A	35.9	Very low	49.5	Very low	80 Å²	80	112.6 Å²	112.6	66%	0.661	60%	0.6	S	S	*	*			trans	-144.3	126.4	156.6	0	0	0	0	0	105.4	G42 P46	G42-A44 VanDerWaalsContact C-N 3.3Å; G42-A44 PolarHBondContact O-N 3.44Å; G42-A44 VanDerWaalsContact O-N 3.11Å; A44-P46 WeakPolarHBondContact O-CD 3.43Å
45	H	37.3	Very low	52.2	Low	194 Å²	194	106.5 Å²	106.5	90%	0.898	57%	0.574	S	S	*	*			trans	-85.7	95	176.1	-73.5	-65.3	0	0	0	108.5
46	P	44.6	Very low	54.6	Low	98 Å²	98	99.3 Å²	99.3	64%	0.636	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-60.1	147.4	163.1	27.6	-33.7	0	0	0	108.4	A44 Q48	A44-P46 WeakPolarHBondContact O-CD 3.43Å; P46-Q48 PolarHBondContact O-N 3.24Å
47	P	51.9	Low	57.5	Low	121 Å²	121	91.7 Å²	91.7	79%	0.786	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-54.7	132.1	172.3	22	-30.6	0	0	0	109
48	Q	58.1	Low	60.2	Low	101 Å²	101	82.7 Å²	82.7	47%	0.472	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-57.9	132.7	178	-79.2	-167.9	-14.8	0	0	109.5	P46 R50	P46-Q48 PolarHBondContact O-N 3.24Å; Q48-R50 PolarHBondContact O-N 3.17Å
49	P	64.8	Low	62.8	Low	46 Å²	46	84 Å²	84	30%	0.299	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-62	125	179.2	23.2	-30.4	0	0	0	109.5	F51	P49-F51 HydrophobicContact CB-CE2 4.13Å; P49-F51 HydrophobicContact CB-CZ 3.94Å; P49-F51 HydrophobicContact CG-CE2 3.97Å; P49-F51 HydrophobicContact CG-CZ 3.86Å; P49-F51 WeakPolarHBondContact O-CE2 3.48Å
50	R	78.7	Confident	65	Low	195 Å²	195	84.2 Å²	84.2	74%	0.736	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-87.9	127.6	169.3	-71.4	-171.3	177.9	-179.8	-0.4	109.4	Q48 V392 A394	Q48-R50 PolarHBondContact O-N 3.17Å; R50-V392 CarbonylContact C-O 3.39Å; R50-V392 WeakPolarHBondContact CA-O 3.48Å; R50-A394 HydrophobicContact CB-CB 4.47Å
51	F	82.2	Confident	66.8	Low	21 Å²	21	81 Å²	81	9%	0.092	45%	0.447	C	S	.	.	B	Isolated β-bridge	trans	-102.1	127.1	179.8	-60.8	-81.7	0	0	0	110.7	P49 W53 L88 I330 E333 V392 A394	P49-F51 HydrophobicContact CB-CE2 4.13Å; P49-F51 HydrophobicContact CB-CZ 3.94Å; P49-F51 HydrophobicContact CG-CE2 3.97Å; P49-F51 HydrophobicContact CG-CZ 3.86Å; P49-F51 WeakPolarHBondContact O-CE2 3.48Å; F51-W53 HydrophobicContact CB-CD2 4.22Å; F51-W53 VanDerWaalsContact CB-CE2 3.43Å; F51-W53 HydrophobicContact CB-CH2 4.19Å; F51-W53 HydrophobicContact CB-CZ2 3.4Å; F51-W53 VanDerWaalsContact CB-CZ2 3.4Å; F51-W53 HydrophobicContact CD1-CZ2 4.18Å; F51-W53 HydrophobicContact CD2-CZ2 4.11Å; F51-W53 AromaticContact CG-CZ2 3.64Å; F51-W53 HydrophobicContact CG-CZ2 3.64Å; F51-L88 HydrophobicContact CD1-CB 4.47Å; F51-L88 HydrophobicContact CD2-CD2 4.41Å; F51-L88 HydrophobicContact CE1-CB 4.21Å; F51-L88 HydrophobicContact CE1-CD2 4.28Å; F51-L88 HydrophobicContact CE2-CD2 3.86Å; F51-L88 HydrophobicContact CZ-CD2 3.79Å; F51-I330 HydrophobicContact CE2-CG2 4.23Å; F51-E333 HydrophobicContact CZ-CG 4.48Å; F51-V392 HydrophobicContact CD2-CB 4.44Å; F51-V392 PolarHBondContact N-O 2.75Å; F51-A394 WeakPolarHBondContact O-CB 3.32Å; F51-A394 PolarHBondContact O-N 2.78Å
52	N	81.8	Confident	68.7	Low	74 Å²	74	81.1 Å²	81.1	40%	0.396	44%	0.441	S	S	.	.			trans	-107.3	104.9	172.4	-170.9	-11.7	0	0	0	109.9	S54 H55 A394	N52-S54 PolarHBondContact OD1-N 2.99Å; N52-S54 VanDerWaalsContact OD1-N 3.17Å; N52-S54 PolarHBondContact OD1-OG 3.41Å; N52-H55 PolarHBondContact O-CE1 3.34Å; N52-H55 VanDerWaalsContact O-CE1 3.28Å; N52-A394 HydrophobicContact CB-CB 3.59Å
53	W	80.4	Confident	71.2	Confident	26 Å²	26	84.2 Å²	84.2	10%	0.098	44%	0.443	C	S	.	.			trans	-110	8.3	177.9	-51.3	-43.7	0	0	0	113.5	F51 H55 L56 L88 C90 N117	F51-W53 HydrophobicContact CB-CD2 4.22Å; F51-W53 VanDerWaalsContact CB-CE2 3.43Å; F51-W53 HydrophobicContact CB-CH2 4.19Å; F51-W53 HydrophobicContact CB-CZ2 3.4Å; F51-W53 VanDerWaalsContact CB-CZ2 3.4Å; F51-W53 HydrophobicContact CD1-CZ2 4.18Å; F51-W53 HydrophobicContact CD2-CZ2 4.11Å; F51-W53 AromaticContact CG-CZ2 3.64Å; F51-W53 HydrophobicContact CG-CZ2 3.64Å; W53-H55 VanDerWaalsContact C-N 3.31Å; W53-H55 PolarHBondContact O-N 3.19Å; W53-L56 CarbonylContact O-C 3.54Å; W53-L56 PolarHBondContact O-N 3.43Å; W53-L88 HydrophobicContact CZ2-CB 4.08Å; W53-L88 HydrophobicContact CZ2-CD2 4.46Å; W53-C90 HydrophobicContact CH2-CB 4.47Å; W53-C90 VanDerWaalsContact CH2-SG 3.58Å; W53-N117 HydrophobicContact CE3-CB 4.05Å; W53-N117 HydrophobicContact CZ3-CB 4.4Å
54	S	77.3	Confident	73.7	Confident	44 Å²	44	79.1 Å²	79.1	31%	0.308	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-49.4	-175	58.4	0	0	0	0	111.2	N52 L56 T57	N52-S54 PolarHBondContact OD1-N 2.99Å; N52-S54 VanDerWaalsContact OD1-N 3.17Å; N52-S54 PolarHBondContact OD1-OG 3.41Å; S54-L56 PolarHBondContact O-N 2.87Å; S54-T57 WeakPolarHBondContact O-CG2 3.3Å
55	H	80.6	Confident	75.9	Confident	61 Å²	61	78.6 Å²	78.6	28%	0.282	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-4.3	177.3	68.5	-76.8	0	0	0	115.7	N52 W53 E60 R85	N52-H55 PolarHBondContact O-CE1 3.34Å; N52-H55 VanDerWaalsContact O-CE1 3.28Å; W53-H55 VanDerWaalsContact C-N 3.31Å; W53-H55 PolarHBondContact O-N 3.19Å; H55-E60 WeakPolarHBondContact CA-OE2 3.33Å; H55-R85 PolarHBondContact CD2-NH1 3.49Å; H55-R85 WeakPolarHBondContact NE2-CD 3.27Å; H55-R85 PolarHBondContact NE2-NH1 3.07Å
56	L	84.1	Confident	78.2	Confident	5 Å²	5	73.2 Å²	73.2	3%	0.026	38%	0.379	C	S	.	.			trans	-110.2	44.6	-179	-68.8	179	0	0	0	110.4	W53 S54 L61 R85 F87 W156	W53-L56 CarbonylContact O-C 3.54Å; W53-L56 PolarHBondContact O-N 3.43Å; S54-L56 PolarHBondContact O-N 2.87Å; L56-L61 HydrophobicContact CD2-CD1 4.26Å; L56-L61 HydrophobicContact CD2-CD2 4.13Å; L56-R85 HydrophobicContact CD1-CB 4.32Å; L56-F87 HydrophobicContact CD1-CD2 4.11Å; L56-W156 VanDerWaalsContact O-CE2 3.27Å; L56-W156 VanDerWaalsContact O-CZ2 3.3Å; L56-W156 WeakPolarHBondContact O-CZ2 3.49Å; L56-W156 PolarHBondContact O-NE1 2.87Å
57	T	88.1	Confident	80.4	Confident	12 Å²	12	68.6 Å²	68.6	7%	0.074	35%	0.35	C	S	.	.	S	Bend	trans	-103.3	154.7	173	60	0	0	0	0	110.8	S54 L59 E60 L61 W156	S54-T57 WeakPolarHBondContact O-CG2 3.3Å; T57-L59 PolarHBondContact O-N 3.35Å; T57-E60 PolarHBondContact O-N 3.35Å; T57-E60 WeakPolarHBondContact OG1-CB 3.42Å; T57-E60 VanDerWaalsContact OG1-CG 3.29Å; T57-E60 WeakPolarHBondContact OG1-CG 3.36Å; T57-L61 WeakPolarHBondContact O-CB 3.41Å; T57-L61 PolarHBondContact O-N 2.98Å; T57-W156 VanDerWaalsContact C-CZ2 3.44Å
58	P	90.3	Very high	82.5	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.006	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-50.4	178.8	-28.8	31.3	0	0	0	114	R64 A151 L155 W156 P218	P58-R64 PolarHBondContact O-NH2 3.19Å; P58-A151 HydrophobicContact CB-CB 4.01Å; P58-A151 HydrophobicContact CG-CB 4.48Å; P58-L155 VanDerWaalsContact CG-O 3.32Å; P58-L155 WeakPolarHBondContact CG-O 3.26Å; P58-W156 VanDerWaalsContact CA-CH2 3.42Å; P58-W156 HydrophobicContact CB-CE3 4.35Å; P58-W156 HydrophobicContact CB-CH2 4.21Å; P58-W156 HydrophobicContact CB-CZ3 3.96Å; P58-W156 HydrophobicContact CG-CD2 3.94Å; P58-W156 HydrophobicContact CG-CE3 3.71Å; P58-W156 HydrophobicContact CG-CH2 4.12Å; P58-W156 HydrophobicContact CG-CZ2 4.32Å; P58-W156 HydrophobicContact CG-CZ3 3.8Å; P58-P218 HydrophobicContact CB-CB 4.35Å; P58-P218 HydrophobicContact CG-CB 4.15Å
59	L	88.6	Confident	84.2	Confident	97 Å²	97	59.4 Å²	59.4	51%	0.508	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-28.2	-173.9	-66	-176.8	0	0	0	114.1	T57 K62	T57-L59 PolarHBondContact O-N 3.35Å; L59-K62 VanDerWaalsContact O-CE 3.32Å; L59-K62 WeakPolarHBondContact O-CE 3.46Å; L59-K62 PolarHBondContact O-NZ 3.48Å
60	E	86	Confident	85.6	Confident	120 Å²	120	59.4 Å²	59.4	56%	0.561	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-33.4	-179	-65.9	-179.7	-168	0	0	112.7	H55 T57 K62	H55-E60 WeakPolarHBondContact CA-OE2 3.33Å; T57-E60 PolarHBondContact O-N 3.35Å; T57-E60 WeakPolarHBondContact OG1-CB 3.42Å; T57-E60 VanDerWaalsContact OG1-CG 3.29Å; T57-E60 WeakPolarHBondContact OG1-CG 3.36Å; E60-K62 PolarHBondContact O-N 2.89Å
61	L	85.6	Confident	86.1	Confident	22 Å²	22	51.8 Å²	51.8	12%	0.115	28%	0.279	C	S	.	.			trans	-79.2	90.8	-177.3	-166.6	61.8	0	0	0	110.9	L56 T57 R64 L82 E83 W156 Y213	L56-L61 HydrophobicContact CD2-CD1 4.26Å; L56-L61 HydrophobicContact CD2-CD2 4.13Å; T57-L61 WeakPolarHBondContact O-CB 3.41Å; T57-L61 PolarHBondContact O-N 2.98Å; L61-R64 WeakPolarHBondContact O-CG 3.45Å; L61-R64 PolarHBondContact O-NE 3.1Å; L61-L82 HydrophobicContact CD2-CD2 4.48Å; L61-L82 HydrophobicContact CD2-CG 4.44Å; L61-E83 HydrophobicContact CD1-CG 4.31Å; L61-E83 HydrophobicContact CD2-CG 3.85Å; L61-E83 HydrophobicContact CG-CG 4.3Å; L61-W156 HydrophobicContact CB-CH2 4.37Å; L61-W156 HydrophobicContact CD2-CH2 4.01Å; L61-W156 HydrophobicContact CD2-CZ2 4.02Å; L61-Y213 HydrophobicContact CD2-CE2 4Å; L61-Y213 WeakPolarHBondContact CD2-OH 3.44Å
62	K	80.5	Confident	86.1	Confident	173 Å²	173	54.1 Å²	54.1	75%	0.752	30%	0.298	S	S	*	.			trans	-80.9	-37.1	-177.6	-60.6	-52.3	-170.9	-166.1	0	114.4	L59 E60	L59-K62 VanDerWaalsContact O-CE 3.32Å; L59-K62 WeakPolarHBondContact O-CE 3.46Å; L59-K62 PolarHBondContact O-NZ 3.48Å; E60-K62 PolarHBondContact O-N 2.89Å
63	N	83.2	Confident	85	Confident	125 Å²	125	54.6 Å²	54.6	67%	0.668	30%	0.304	S	S	*	.			trans	-89.9	115.3	178.6	-160.6	5.9	0	0	0	109.3
64	R	86.9	Confident	83.8	Confident	45 Å²	45	57.6 Å²	57.6	17%	0.17	34%	0.343	C	S	.	.			trans	-133.3	85.1	-166.7	-60.5	-159.5	-177.4	180	9.9	111.1	P58 L61 Y213 G216 G217	P58-R64 PolarHBondContact O-NH2 3.19Å; L61-R64 WeakPolarHBondContact O-CG 3.45Å; L61-R64 PolarHBondContact O-NE 3.1Å; R64-Y213 HydrophobicContact CB-CD1 4.33Å; R64-Y213 HydrophobicContact CB-CE1 3.55Å; R64-Y213 WeakPolarHBondContact CD-O 3.48Å; R64-Y213 HydrophobicContact CG-CE1 4.03Å; R64-Y213 HydrophobicContact CG-CE2 4.29Å; R64-Y213 WeakPolarHBondContact CG-OH 3.21Å; R64-Y213 PolarHBondContact NH1-O 2.82Å; R64-G216 VanDerWaalsContact CZ-O 3.28Å; R64-G216 VanDerWaalsContact NH1-CA 3.32Å; R64-G216 PolarHBondContact NH1-O 3.4Å; R64-G216 PolarHBondContact NH2-O 3.29Å; R64-G216 VanDerWaalsContact NH2-O 3.14Å; R64-G217 PolarHBondContact NH1-O 2.9Å
65	S	82.9	Confident	82.8	Confident	70 Å²	70	67.8 Å²	67.8	49%	0.49	37%	0.374	S	S	.	.	S	Bend	trans	-116.3	-39.6	-166.7	60.7	0	0	0	0	113.8	E83	S65-E83 PolarHBondContact N-OE1 3.47Å; S65-E83 PolarHBondContact N-OE2 3.09Å; S65-E83 PolarHBondContact OG-OE2 3.16Å
66	V	84.6	Confident	82.2	Confident	81 Å²	81	66.4 Å²	66.4	49%	0.491	38%	0.377	S	S	.	.	S	Bend	trans	-108.4	-25.6	-171.1	-175.6	0	0	0	0	111.6	E83	V66-E83 PolarHBondContact N-OE1 2.79Å
67	G	91.6	Very high	82.1	Confident	1 Å²	1	72 Å²	72	1%	0.01	40%	0.401	C	S	.	.			trans	66.6	-159.5	-179.9	0	0	0	0	0	113.1	E83 Y213	G67-E83 PolarHBondContact N-OE1 3.21Å; G67-E83 PolarHBondContact O-N 3.25Å; G67-Y213 VanDerWaalsContact CA-CD1 3.46Å; G67-Y213 VanDerWaalsContact CA-CE1 3.46Å
68	L	96.2	Very high	82.3	Confident	11 Å²	11	73.2 Å²	73.2	6%	0.058	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	124.6	174.8	-172.2	74.5	0	0	0	109.9	F80 T81 L82 F87 I89 I220 A221 L253	L68-F80 HydrophobicContact CD1-CB 4.22Å; L68-F80 HydrophobicContact CD1-CD1 4.18Å; L68-F80 HydrophobicContact CD2-CD1 4.34Å; L68-F80 HydrophobicContact CG-CD1 4.2Å; L68-T81 CarbonylContact C-O 3.5Å; L68-T81 VanDerWaalsContact CA-O 3.31Å; L68-T81 WeakPolarHBondContact CA-O 3.4Å; L68-L82 HydrophobicContact CB-CD1 4.41Å; L68-F87 HydrophobicContact CD1-CD1 3.84Å; L68-F87 HydrophobicContact CD1-CE1 4.44Å; L68-I89 HydrophobicContact CD1-CD1 4.48Å; L68-I89 HydrophobicContact CD2-CD1 4.11Å; L68-I220 HydrophobicContact CB-CB 4.18Å; L68-I220 WeakPolarHBondContact CB-O 3.29Å; L68-I220 HydrophobicContact CD1-CD1 4.49Å; L68-I220 HydrophobicContact CD2-CD1 4.33Å; L68-A221 HydrophobicContact CD2-CB 4.1Å; L68-L253 HydrophobicContact CB-CB 4.42Å; L68-L253 HydrophobicContact CD2-CB 4.29Å; L68-L253 HydrophobicContact CD2-CD1 4.34Å; L68-L253 HydrophobicContact CD2-CD2 4.29Å; L68-L253 HydrophobicContact CG-CD1 4.4Å
69	G	94.6	Very high	82.5	Confident	17 Å²	17	74.8 Å²	74.8	18%	0.175	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	178.3	-178.7	0	0	0	0	0	113	F80 T81	G69-F80 WeakPolarHBondContact O-CA 3.42Å; G69-T81 PolarHBondContact N-O 3.33Å; G69-T81 PolarHBondContact O-N 2.86Å
70	T	93.5	Very high	82.9	Confident	46 Å²	46	70.3 Å²	70.3	28%	0.282	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.1	175.6	66.8	0	0	0	0	109.3	F80 L253 L272 K295 P296	T70-F80 HydrophobicContact CG2-CD1 4.42Å; T70-F80 HydrophobicContact CG2-CE1 4.35Å; T70-L253 HydrophobicContact CG2-CD1 4.28Å; T70-L272 HydrophobicContact CG2-CD1 4.26Å; T70-K295 HydrophobicContact CG2-CD 4.21Å; T70-K295 PolarHBondContact OG1-NZ 2.99Å; T70-P296 HydrophobicContact CG2-CG 3.71Å
71	A	90.2	Very high	83.3	Confident	35 Å²	35	65.2 Å²	65.2	29%	0.289	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	147	175.3	0	0	0	0	0	111.1	P78 H79 T81	A71-P78 WeakPolarHBondContact O-CA 3.45Å; A71-H79 PolarHBondContact N-O 2.96Å; A71-H79 PolarHBondContact O-N 3.34Å; A71-T81 HydrophobicContact CB-CG2 3.83Å
72	S	81.6	Confident	83.7	Confident	71 Å²	71	64.2 Å²	64.2	50%	0.497	36%	0.364	S	S	.	.			trans	-130.3	122.4	167.8	178	0	0	0	0	107.5
73	T	57.6	Low	84.2	Confident	84 Å²	84	57.5 Å²	57.5	52%	0.515	34%	0.335	S	S	.	.			trans	-78.9	134.4	163.7	56.2	0	0	0	0	106	R75 G76	T73-R75 PolarHBondContact O-N 2.98Å; T73-G76 PolarHBondContact O-N 3.33Å; T73-G76 WeakPolarHBondContact OG1-CA 3.47Å; T73-G76 PolarHBondContact OG1-N 3.47Å
74	G	56.6	Low	84.5	Confident	89 Å²	89	54.2 Å²	54.2	92%	0.918	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	3.6	-174.5	0	0	0	0	0	116.8
75	R	55	Low	84.6	Confident	258 Å²	258	58.8 Å²	58.8	97%	0.974	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.7	0.1	172.7	-63.6	-173.2	-176.2	-171.8	1.3	114.4	T73	T73-R75 PolarHBondContact O-N 2.98Å
76	G	68.2	Low	85.1	Confident	32 Å²	32	60.6 Å²	60.6	33%	0.33	34%	0.344	S	S	.	.	S	Bend	trans	-122.6	166.8	-173.4	0	0	0	0	0	114.2	T73	T73-G76 PolarHBondContact O-N 3.33Å; T73-G76 WeakPolarHBondContact OG1-CA 3.47Å; T73-G76 PolarHBondContact OG1-N 3.47Å
77	K	82.6	Confident	85.5	Confident	123 Å²	123	57 Å²	57	54%	0.535	32%	0.322	S	S	.	.			trans	-66.2	136.5	178.1	-68.7	-177.1	179.9	179.7	0	110.9	H79	K77-H79 PolarHBondContact O-ND1 3.27Å; K77-H79 VanDerWaalsContact O-ND1 3.15Å
78	P	92.1	Very high	85.7	Confident	37 Å²	37	57.2 Å²	57.2	24%	0.24	32%	0.323	C	S	.	.			trans	-55.4	139.1	171.3	-24.4	34	0	0	0	111.3	A71 K295	A71-P78 WeakPolarHBondContact O-CA 3.45Å; P78-K295 VanDerWaalsContact CB-C 3.42Å
79	H	93.9	Very high	85.8	Confident	33 Å²	33	56.7 Å²	56.7	15%	0.153	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	161	-178.5	53.1	-86.4	0	0	0	110.9	A71 K77	A71-H79 PolarHBondContact N-O 2.96Å; A71-H79 PolarHBondContact O-N 3.34Å; K77-H79 PolarHBondContact O-ND1 3.27Å; K77-H79 VanDerWaalsContact O-ND1 3.15Å
80	F	96.6	Very high	86	Confident	3 Å²	3	55.9 Å²	55.9	1%	0.013	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	150.8	170.1	-70.5	-79.2	0	0	0	111	L68 G69 T70 F87 I89 L253 L272 P296 L298 S335	L68-F80 HydrophobicContact CD1-CB 4.22Å; L68-F80 HydrophobicContact CD1-CD1 4.18Å; L68-F80 HydrophobicContact CD2-CD1 4.34Å; L68-F80 HydrophobicContact CG-CD1 4.2Å; G69-F80 WeakPolarHBondContact O-CA 3.42Å; T70-F80 HydrophobicContact CG2-CD1 4.42Å; T70-F80 HydrophobicContact CG2-CE1 4.35Å; F80-F87 WeakPolarHBondContact CB-O 3.49Å; F80-F87 PolarHBondContact O-N 3.14Å; F80-I89 HydrophobicContact CD2-CD1 4.29Å; F80-I89 HydrophobicContact CE2-CD1 4.3Å; F80-I89 HydrophobicContact CG-CD1 4.39Å; F80-I89 HydrophobicContact CZ-CD1 4.41Å; F80-L253 HydrophobicContact CE1-CD1 4.37Å; F80-L272 HydrophobicContact CE1-CD2 3.77Å; F80-L272 HydrophobicContact CZ-CD2 3.6Å; F80-P296 HydrophobicContact CD1-CG 3.8Å; F80-P296 HydrophobicContact CD2-CB 3.68Å; F80-P296 HydrophobicContact CD2-CG 3.77Å; F80-P296 HydrophobicContact CE1-CG 3.65Å; F80-P296 HydrophobicContact CE2-CB 3.62Å; F80-P296 HydrophobicContact CE2-CG 3.62Å; F80-P296 HydrophobicContact CG-CB 4.19Å; F80-P296 HydrophobicContact CG-CG 3.86Å; F80-P296 HydrophobicContact CZ-CB 4.08Å; F80-P296 HydrophobicContact CZ-CG 3.57Å; F80-L298 HydrophobicContact CE2-CB 4.07Å; F80-L298 HydrophobicContact CZ-CB 4.01Å; F80-L298 HydrophobicContact CZ-CD2 4.01Å; F80-S335 VanDerWaalsContact CD2-OG 3.28Å; F80-S335 WeakPolarHBondContact CD2-OG 3.46Å
81	T	94.9	Very high	86.3	Confident	14 Å²	14	53.7 Å²	53.7	9%	0.086	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	148	169.3	57.3	0	0	0	0	110.4	L68 G69 A71 R85	L68-T81 CarbonylContact C-O 3.5Å; L68-T81 VanDerWaalsContact CA-O 3.31Å; L68-T81 WeakPolarHBondContact CA-O 3.4Å; G69-T81 PolarHBondContact N-O 3.33Å; G69-T81 PolarHBondContact O-N 2.86Å; A71-T81 HydrophobicContact CB-CG2 3.83Å; T81-R85 CarbonylContact C-O 3.51Å; T81-R85 WeakPolarHBondContact CA-O 3.33Å; T81-R85 WeakPolarHBondContact CB-O 3.41Å
82	L	93.8	Very high	86.7	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	118.4	169.7	-175.3	64.2	0	0	0	107.4	L61 L68 G84 R85 F87 W156 Y213 I220	L61-L82 HydrophobicContact CD2-CD2 4.48Å; L61-L82 HydrophobicContact CD2-CG 4.44Å; L68-L82 HydrophobicContact CB-CD1 4.41Å; L82-G84 VanDerWaalsContact C-N 3.25Å; L82-G84 PolarHBondContact O-N 2.9Å; L82-R85 PolarHBondContact N-O 2.68Å; L82-R85 WeakPolarHBondContact O-CB 3.32Å; L82-R85 PolarHBondContact O-N 3.16Å; L82-R85 VanDerWaalsContact O-N 3.09Å; L82-F87 HydrophobicContact CB-CB 3.96Å; L82-F87 HydrophobicContact CB-CD1 4.34Å; L82-F87 HydrophobicContact CB-CD2 4.21Å; L82-F87 HydrophobicContact CB-CG 3.93Å; L82-F87 HydrophobicContact CD2-CD2 4.24Å; L82-F87 HydrophobicContact CD2-CE2 4.13Å; L82-F87 HydrophobicContact CD2-CZ 4.29Å; L82-W156 HydrophobicContact CD2-CD2 4.26Å; L82-W156 HydrophobicContact CD2-CH2 4.46Å; L82-W156 HydrophobicContact CD2-CZ2 3.67Å; L82-Y213 HydrophobicContact CD1-CD2 4.29Å; L82-Y213 HydrophobicContact CD1-CE2 3.92Å; L82-I220 HydrophobicContact CD1-CG2 4.14Å
83	E	91.2	Very high	87.5	Confident	32 Å²	32	48.7 Å²	48.7	15%	0.15	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	44.9	-166.6	-66.2	-59.4	116	0	0	112.9	L61 S65 V66 G67 R85 Y213	L61-E83 HydrophobicContact CD1-CG 4.31Å; L61-E83 HydrophobicContact CD2-CG 3.85Å; L61-E83 HydrophobicContact CG-CG 4.3Å; S65-E83 PolarHBondContact N-OE1 3.47Å; S65-E83 PolarHBondContact N-OE2 3.09Å; S65-E83 PolarHBondContact OG-OE2 3.16Å; V66-E83 PolarHBondContact N-OE1 2.79Å; G67-E83 PolarHBondContact N-OE1 3.21Å; G67-E83 PolarHBondContact O-N 3.25Å; E83-R85 PolarHBondContact O-N 2.8Å; E83-Y213 VanDerWaalsContact CD-OH 3.24Å; E83-Y213 HydrophobicContact CG-CE1 4.49Å; E83-Y213 WeakPolarHBondContact CG-OH 3.34Å; E83-Y213 VanDerWaalsContact OE1-CE1 3.22Å; E83-Y213 WeakPolarHBondContact OE1-CE1 3.5Å; E83-Y213 PolarHBondContact OE1-OH 3.1Å; E83-Y213 VanDerWaalsContact OE1-OH 3.12Å
84	G	89.9	Confident	89.5	Confident	56 Å²	56	44.8 Å²	44.8	58%	0.577	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	71	-8.6	-179.9	0	0	0	0	0	114.9	L82	L82-G84 VanDerWaalsContact C-N 3.25Å; L82-G84 PolarHBondContact O-N 2.9Å
85	R	90.1	Very high	91.5	Very high	141 Å²	141	40.6 Å²	40.6	53%	0.532	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	139.2	175.8	-59.2	-171.4	-177.1	-139.3	-5.2	110	H55 L56 T81 L82 E83 F87	H55-R85 PolarHBondContact CD2-NH1 3.49Å; H55-R85 WeakPolarHBondContact NE2-CD 3.27Å; H55-R85 PolarHBondContact NE2-NH1 3.07Å; L56-R85 HydrophobicContact CD1-CB 4.32Å; T81-R85 CarbonylContact C-O 3.51Å; T81-R85 WeakPolarHBondContact CA-O 3.33Å; T81-R85 WeakPolarHBondContact CB-O 3.41Å; L82-R85 PolarHBondContact N-O 2.68Å; L82-R85 WeakPolarHBondContact O-CB 3.32Å; L82-R85 PolarHBondContact O-N 3.16Å; L82-R85 VanDerWaalsContact O-N 3.09Å; E83-R85 PolarHBondContact O-N 2.8Å; R85-F87 PolarHBondContact O-N 2.9Å
86	R	91.9	Very high	93.6	Very high	108 Å²	108	28.3 Å²	28.3	41%	0.408	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	130.7	176.9	-171.1	170.4	-164	-128.9	3.5	111.4	E333	R86-E333 IonicContact CZ-OE1 3.84Å; R86-E333 IonicContact CZ-OE2 2.74Å; R86-E333 IonicContact NH1-OE1 2.62Å; R86-E333 PolarHBondContact NH1-OE1 2.94Å; R86-E333 IonicContact NH1-OE2 2.89Å; R86-E333 IonicContact NH2-OE1 3.76Å; R86-E333 PolarHBondContact NH2-OE1 3.01Å; R86-E333 IonicContact NH2-OE2 3.13Å; R86-E333 PolarHBondContact NH2-OE2 3.27Å
87	F	94.4	Very high	95	Very high	6 Å²	6	27 Å²	27	3%	0.026	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	136	-174.6	-168.2	-114.7	0	0	0	110.2	L56 L68 F80 L82 R85 I89 W156 I220	L56-F87 HydrophobicContact CD1-CD2 4.11Å; L68-F87 HydrophobicContact CD1-CD1 3.84Å; L68-F87 HydrophobicContact CD1-CE1 4.44Å; F80-F87 WeakPolarHBondContact CB-O 3.49Å; F80-F87 PolarHBondContact O-N 3.14Å; L82-F87 HydrophobicContact CB-CB 3.96Å; L82-F87 HydrophobicContact CB-CD1 4.34Å; L82-F87 HydrophobicContact CB-CD2 4.21Å; L82-F87 HydrophobicContact CB-CG 3.93Å; L82-F87 HydrophobicContact CD2-CD2 4.24Å; L82-F87 HydrophobicContact CD2-CE2 4.13Å; L82-F87 HydrophobicContact CD2-CZ 4.29Å; R85-F87 PolarHBondContact O-N 2.9Å; F87-I89 HydrophobicContact CD1-CG1 3.89Å; F87-I89 HydrophobicContact CE1-CG1 3.79Å; F87-W156 AromaticContact CZ-CD1 3.64Å; F87-I220 HydrophobicContact CE1-CD1 4.1Å
88	L	95.8	Very high	95.8	Very high	5 Å²	5	21.1 Å²	21.1	3%	0.026	11%	0.107	C	C	.	.			trans	-116.1	119	172.4	179.9	73.2	0	0	0	106.7	F51 W53 C90 N117	F51-L88 HydrophobicContact CD1-CB 4.47Å; F51-L88 HydrophobicContact CD2-CD2 4.41Å; F51-L88 HydrophobicContact CE1-CB 4.21Å; F51-L88 HydrophobicContact CE1-CD2 4.28Å; F51-L88 HydrophobicContact CE2-CD2 3.86Å; F51-L88 HydrophobicContact CZ-CD2 3.79Å; W53-L88 HydrophobicContact CZ2-CB 4.08Å; W53-L88 HydrophobicContact CZ2-CD2 4.46Å; L88-C90 PolarHBondContact O-N 3.01Å; L88-N117 PolarHBondContact O-ND2 3.41Å
89	I	98.2	Very high	96.1	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.096	C	C	.	.			trans	-78.8	116.4	179.4	-50	171.6	0	0	0	107.5	L68 F80 F87 T118 I158 S335 F336	L68-I89 HydrophobicContact CD1-CD1 4.48Å; L68-I89 HydrophobicContact CD2-CD1 4.11Å; F80-I89 HydrophobicContact CD2-CD1 4.29Å; F80-I89 HydrophobicContact CE2-CD1 4.3Å; F80-I89 HydrophobicContact CG-CD1 4.39Å; F80-I89 HydrophobicContact CZ-CD1 4.41Å; F87-I89 HydrophobicContact CD1-CG1 3.89Å; F87-I89 HydrophobicContact CE1-CG1 3.79Å; I89-T118 HydrophobicContact CG2-CG2 4.1Å; I89-I158 HydrophobicContact CD1-CD1 4.33Å; I89-I158 HydrophobicContact CG2-CD1 4.09Å; I89-S335 PolarHBondContact N-OG 2.64Å; I89-S335 WeakPolarHBondContact O-CA 3.48Å; I89-F336 PolarHBondContact O-N 3.28Å
90	C	98.3	Very high	96.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	88.5	167.4	-65	0	0	0	0	106.5	W53 L88 F116 N117 T118 F336	W53-C90 HydrophobicContact CH2-CB 4.47Å; W53-C90 VanDerWaalsContact CH2-SG 3.58Å; L88-C90 PolarHBondContact O-N 3.01Å; C90-F116 HydrophobicContact CB-CD1 4.41Å; C90-F116 WeakPolarHBondContact O-CB 3.11Å; C90-F116 WeakPolarHBondContact O-CD1 3.34Å; C90-N117 PolarHBondContact N-OD1 3.11Å; C90-N117 PolarHBondContact O-N 2.98Å; C90-N117 PolarHBondContact O-OD1 3.1Å; C90-T118 PolarHBondContact O-N 2.95Å; C90-F336 HydrophobicContact CB-CE1 4.43Å; C90-F336 HydrophobicContact CB-CZ 4.05Å
91	G	98.6	Very high	96.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	145.6	-173.9	0	0	0	0	0	113.6	F116 T118 F336 N337 V338	G91-F116 VanDerWaalsContact O-CD1 3.24Å; G91-F116 WeakPolarHBondContact O-CD1 3.41Å; G91-F116 WeakPolarHBondContact O-CE1 3.47Å; G91-T118 CarbonylContact C-O 3.6Å; G91-T118 VanDerWaalsContact CA-O 3.28Å; G91-T118 WeakPolarHBondContact CA-O 3.42Å; G91-F336 WeakPolarHBondContact CA-O 3.43Å; G91-F336 PolarHBondContact N-O 2.86Å; G91-N337 CarbonylContact O-C 3.6Å; G91-N337 VanDerWaalsContact O-CA 3.27Å; G91-N337 WeakPolarHBondContact O-CA 3.43Å; G91-N337 PolarHBondContact O-OD1 3.07Å; G91-V338 PolarHBondContact O-N 3.03Å
92	G	98.9	Very high	96.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	133.4	168.8	0	0	0	0	0	111.6	T118 V119 T120 N337	G92-T118 PolarHBondContact N-O 3.15Å; G92-V119 WeakPolarHBondContact O-CA 3.44Å; G92-T120 PolarHBondContact O-N 3.21Å; G92-N337 WeakPolarHBondContact CA-OD1 3.28Å; G92-N337 PolarHBondContact N-OD1 3.05Å; G92-N337 VanDerWaalsContact N-OD1 3.16Å
93	S	98.9	Very high	96.8	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.007	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	124.5	-179.9	-50.8	0	0	0	0	111	T120 N337 V338 Y339 F341 H342	S93-T120 WeakPolarHBondContact CA-O 3.49Å; S93-N337 PolarHBondContact N-OD1 3.02Å; S93-N337 PolarHBondContact OG-ND2 2.85Å; S93-N337 PolarHBondContact OG-OD1 3.18Å; S93-V338 WeakPolarHBondContact CB-O 3.34Å; S93-V338 PolarHBondContact N-O 2.93Å; S93-V338 PolarHBondContact OG-O 3.31Å; S93-V338 VanDerWaalsContact OG-O 3.11Å; S93-Y339 WeakPolarHBondContact OG-CD2 3.27Å; S93-F341 PolarHBondContact O-N 3.35Å; S93-H342 PolarHBondContact O-N 2.68Å; S93-H342 VanDerWaalsContact O-N 3.17Å
94	I	98.9	Very high	97.2	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	122	172.4	-55.6	-174.9	0	0	0	107.5	V99 R107 L108 L111 V119 T120 T121 F146 F341 H342	I94-V99 HydrophobicContact CG2-CG2 4.36Å; I94-R107 HydrophobicContact CD1-CB 4.23Å; I94-L108 HydrophobicContact CD1-CD2 4.39Å; I94-L111 HydrophobicContact CD1-CB 4.09Å; I94-L111 HydrophobicContact CD1-CD2 3.99Å; I94-V119 HydrophobicContact CB-CG2 4.13Å; I94-V119 HydrophobicContact CG1-CG2 4.31Å; I94-T120 PolarHBondContact N-O 2.61Å; I94-T121 WeakPolarHBondContact O-CB 3.46Å; I94-T121 PolarHBondContact O-OG1 2.73Å; I94-F146 HydrophobicContact CB-CZ 4.46Å; I94-F146 HydrophobicContact CG2-CZ 4.3Å; I94-F341 HydrophobicContact CD1-CD1 3.94Å; I94-F341 HydrophobicContact CG1-CB 4.44Å; I94-F341 HydrophobicContact CG1-CD1 4.17Å; I94-H342 HydrophobicContact CD1-CB 4.41Å; I94-H342 HydrophobicContact CG1-CB 4.13Å
95	H	98.9	Very high	97.6	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	12%	0.123	C	C	.	.			trans	-96.4	111.9	-179.1	-64.5	170	0	0	0	110.4	F97 R98 Y122 S167 Y339	H95-F97 HydrophobicContact CB-CD1 4.1Å; H95-F97 HydrophobicContact CB-CD2 4.32Å; H95-F97 HydrophobicContact CB-CE1 3.67Å; H95-F97 HydrophobicContact CB-CE2 3.92Å; H95-F97 HydrophobicContact CB-CG 4.42Å; H95-F97 HydrophobicContact CB-CZ 3.58Å; H95-F97 AromaticContact CG-CE1 3.94Å; H95-F97 AromaticContact CG-CZ 3.62Å; H95-F97 AromaticContact ND1-CZ 3.58Å; H95-F97 PolarHBondContact O-N 3.24Å; H95-F97 VanDerWaalsContact O-N 3.14Å; H95-R98 HydrophobicContact CB-CB 4.32Å; H95-R98 HydrophobicContact CB-CG 4.32Å; H95-R98 PolarHBondContact ND1-NH1 2.65Å; H95-R98 PolarHBondContact O-N 3.25Å; H95-Y122 AromaticContact CE1-CD2 3.5Å; H95-Y122 VanDerWaalsContact CE1-CD2 3.5Å; H95-Y122 WeakPolarHBondContact CE1-CD2 3.32Å; H95-Y122 AromaticContact NE2-CD2 3.38Å; H95-Y122 WeakPolarHBondContact NE2-CD2 3.3Å; H95-S167 PolarHBondContact CE1-OG 3.22Å; H95-S167 VanDerWaalsContact CE1-OG 3.23Å; H95-S167 PolarHBondContact ND1-OG 3.35Å; H95-Y339 AromaticContact CE1-CE2 3.97Å; H95-Y339 PolarHBondContact CE1-OH 2.91Å; H95-Y339 AromaticContact NE2-CE2 3.95Å
96	Y	98.8	Very high	98	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-56.5	-33.3	-177.8	62.8	-90.1	0	0	0	112.9	R98 V99 W104 T121 Y122 P124 H128 N140 L141 L143 F146	Y96-R98 VanDerWaalsContact C-N 3.28Å; Y96-R98 PolarHBondContact O-N 2.88Å; Y96-V99 PolarHBondContact O-N 2.83Å; Y96-W104 HydrophobicContact CD2-CZ2 4.33Å; Y96-W104 PolarHBondContact O-NE1 3.46Å; Y96-T121 HydrophobicContact CD1-CG2 4.2Å; Y96-T121 WeakPolarHBondContact CD1-OG1 3.43Å; Y96-T121 HydrophobicContact CE1-CG2 4.34Å; Y96-Y122 VanDerWaalsContact CE1-O 3.23Å; Y96-Y122 WeakPolarHBondContact CE1-O 3.29Å; Y96-P124 VanDerWaalsContact OH-CD 3.25Å; Y96-P124 WeakPolarHBondContact OH-CD 3.43Å; Y96-H128 AromaticContact CZ-NE2 3.74Å; Y96-H128 PolarHBondContact OH-CE1 3.44Å; Y96-H128 PolarHBondContact OH-NE2 3.37Å; Y96-N140 WeakPolarHBondContact CD2-O 3.28Å; Y96-N140 PolarHBondContact O-ND2 2.91Å; Y96-L141 HydrophobicContact CE2-CD2 4.41Å; Y96-L143 HydrophobicContact CD1-CD1 4.28Å; Y96-L143 HydrophobicContact CE1-CD1 3.64Å; Y96-F146 HydrophobicContact CD1-CD1 4.11Å; Y96-F146 HydrophobicContact CD1-CE1 4.48Å; Y96-F146 HydrophobicContact CD1-CG 4.47Å; Y96-F146 HydrophobicContact CG-CB 4.48Å; Y96-F146 HydrophobicContact CG-CD1 4.37Å; Y96-F146 HydrophobicContact CG-CG 4.28Å
97	F	98.6	Very high	98.3	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.018	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-72.3	-15.8	179.6	53.7	-93.4	0	0	0	114.2	H95 P124 L127 L141 I165 M169 M350	H95-F97 HydrophobicContact CB-CD1 4.1Å; H95-F97 HydrophobicContact CB-CD2 4.32Å; H95-F97 HydrophobicContact CB-CE1 3.67Å; H95-F97 HydrophobicContact CB-CE2 3.92Å; H95-F97 HydrophobicContact CB-CG 4.42Å; H95-F97 HydrophobicContact CB-CZ 3.58Å; H95-F97 AromaticContact CG-CE1 3.94Å; H95-F97 AromaticContact CG-CZ 3.62Å; H95-F97 AromaticContact ND1-CZ 3.58Å; H95-F97 PolarHBondContact O-N 3.24Å; H95-F97 VanDerWaalsContact O-N 3.14Å; F97-P124 HydrophobicContact CB-CG 4.03Å; F97-P124 HydrophobicContact CD1-CB 4.35Å; F97-P124 VanDerWaalsContact CD1-CD 3.49Å; F97-P124 HydrophobicContact CD1-CG 3.5Å; F97-P124 HydrophobicContact CD2-CG 4.29Å; F97-P124 HydrophobicContact CE1-CB 4.35Å; F97-P124 HydrophobicContact CE1-CG 3.92Å; F97-P124 HydrophobicContact CG-CB 4.47Å; F97-P124 HydrophobicContact CG-CG 3.7Å; F97-P124 HydrophobicContact CZ-CB 4.5Å; F97-P124 HydrophobicContact CZ-CG 4.47Å; F97-L127 HydrophobicContact CB-CD1 3.97Å; F97-L127 HydrophobicContact CG-CD1 4.48Å; F97-L141 HydrophobicContact CB-CD2 4.28Å; F97-I165 HydrophobicContact CZ-CD1 4.25Å; F97-M169 HydrophobicContact CD2-SD 4.45Å; F97-M169 HydrophobicContact CE2-SD 3.97Å; F97-M350 HydrophobicContact CD2-CE 3.73Å
98	R	98.8	Very high	98.5	Very high	1 Å²	1	18 Å²	18	0%	0.004	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-97.7	-3.4	175.3	-72.4	-171.5	165.3	132.3	-2.4	114	H95 Y96 S167 G343 T345 N346 M350 Y366	H95-R98 HydrophobicContact CB-CB 4.32Å; H95-R98 HydrophobicContact CB-CG 4.32Å; H95-R98 PolarHBondContact ND1-NH1 2.65Å; H95-R98 PolarHBondContact O-N 3.25Å; Y96-R98 VanDerWaalsContact C-N 3.28Å; Y96-R98 PolarHBondContact O-N 2.88Å; R98-S167 PolarHBondContact NH1-O 2.89Å; R98-S167 VanDerWaalsContact NH1-O 3.16Å; R98-S167 PolarHBondContact NH1-OG 2.95Å; R98-S167 PolarHBondContact NH2-O 3.19Å; R98-G343 WeakPolarHBondContact CB-O 3.47Å; R98-G343 WeakPolarHBondContact CD-O 3.48Å; R98-T345 WeakPolarHBondContact CB-O 3.29Å; R98-T345 WeakPolarHBondContact CG-O 3.2Å; R98-T345 PolarHBondContact O-N 3.3Å; R98-T345 VanDerWaalsContact O-N 3.14Å; R98-N346 PolarHBondContact NE-OD1 3.43Å; R98-N346 PolarHBondContact NH2-OD1 2.83Å; R98-M350 HydrophobicContact CG-CE 4.3Å; R98-Y366 VanDerWaalsContact CZ-CD1 3.41Å; R98-Y366 VanDerWaalsContact CZ-CE1 3.48Å
99	V	98.7	Very high	98.7	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	10%	0.103	C	C	.	.	S	Bend	trans	-123.5	129.1	-176.8	-176.8	0	0	0	0	108.3	I94 Y96 R101 W104 R107 N140	I94-V99 HydrophobicContact CG2-CG2 4.36Å; Y96-V99 PolarHBondContact O-N 2.83Å; V99-R101 PolarHBondContact O-N 2.78Å; V99-W104 PolarHBondContact O-NE1 3.23Å; V99-R107 HydrophobicContact CG1-CG 3.78Å; V99-N140 PolarHBondContact O-ND2 2.85Å; V99-N140 VanDerWaalsContact O-ND2 3.13Å; V99-N140 PolarHBondContact O-OD1 3.25Å
100	P	98.4	Very high	98.7	Very high	6 Å²	6	21.1 Å²	21.1	4%	0.039	10%	0.103	C	C	.	.			trans	-56	136.9	173.1	-25.7	35.1	0	0	0	111.8	A102 Y103 W104 N140 F347 P622 V624	P100-A102 PolarHBondContact O-N 3.12Å; P100-A102 VanDerWaalsContact O-N 3.09Å; P100-Y103 HydrophobicContact CB-CD2 4.25Å; P100-Y103 HydrophobicContact CG-CD2 4.18Å; P100-Y103 WeakPolarHBondContact O-CA 3.43Å; P100-Y103 WeakPolarHBondContact O-CB 3.38Å; P100-Y103 PolarHBondContact O-N 3.27Å; P100-W104 PolarHBondContact O-N 3.3Å; P100-N140 WeakPolarHBondContact CA-OD1 3.44Å; P100-F347 HydrophobicContact CG-CE2 4.24Å; P100-F347 HydrophobicContact CG-CZ 4.32Å; P100-P622 HydrophobicContact CG-CB 4Å; P100-P622 HydrophobicContact CG-CG 3.98Å; P100-V624 HydrophobicContact CB-CG2 3.74Å; P100-V624 HydrophobicContact CG-CG2 4.3Å
101	R	98.4	Very high	98.7	Very high	93 Å²	93	21.1 Å²	21.1	35%	0.351	10%	0.103	S	C	.	.	H	α-helix	trans	-49	-43.2	-175.8	-179.7	-174.5	-175.7	98.7	-8.2	113.6	V99 Y103 W104 G139 N140 D142	V99-R101 PolarHBondContact O-N 2.78Å; R101-Y103 PolarHBondContact O-N 3.3Å; R101-W104 HydrophobicContact CB-CD2 4.22Å; R101-W104 HydrophobicContact CB-CE3 4.35Å; R101-W104 HydrophobicContact CB-CH2 4.15Å; R101-W104 HydrophobicContact CB-CZ2 3.99Å; R101-W104 HydrophobicContact CB-CZ3 4.33Å; R101-W104 HydrophobicContact CG-CD2 4.06Å; R101-W104 HydrophobicContact CG-CE3 3.71Å; R101-W104 HydrophobicContact CG-CH2 3.9Å; R101-W104 HydrophobicContact CG-CZ2 4.22Å; R101-W104 HydrophobicContact CG-CZ3 3.64Å; R101-W104 VanDerWaalsContact NH1-CZ3 3.33Å; R101-W104 WeakPolarHBondContact O-CB 3.42Å; R101-W104 PolarHBondContact O-N 2.99Å; R101-W104 VanDerWaalsContact O-N 3.13Å; R101-G139 WeakPolarHBondContact CD-O 3.37Å; R101-G139 PolarHBondContact NH1-O 2.82Å; R101-N140 PolarHBondContact N-OD1 2.74Å; R101-D142 IonicContact CZ-OD2 2.93Å; R101-D142 VanDerWaalsContact CZ-OD2 3.29Å; R101-D142 VanDerWaalsContact NH1-CG 3.31Å; R101-D142 IonicContact NH1-OD2 3.52Å; R101-D142 PolarHBondContact NH1-OD2 2.92Å; R101-D142 IonicContact NH2-OD2 4Å; R101-D142 PolarHBondContact NH2-OD2 3.25Å
102	A	98.4	Very high	98.7	Very high	71 Å²	71	23.2 Å²	23.2	59%	0.587	11%	0.111	S	C	*	.	H	α-helix	trans	-59.3	-18.9	179.2	0	0	0	0	0	113.6	P100 V624	P100-A102 PolarHBondContact O-N 3.12Å; P100-A102 VanDerWaalsContact O-N 3.09Å; A102-V624 HydrophobicContact CB-CB 4.17Å; A102-V624 HydrophobicContact CB-CG1 3.63Å; A102-V624 HydrophobicContact CB-CG2 4.39Å
103	Y	98.8	Very high	98.7	Very high	33 Å²	33	23.2 Å²	23.2	13%	0.129	11%	0.112	C	C	.	.	H	α-helix	trans	-103	-9.9	-179.3	-67.4	-16.1	0	0	0	114.2	P100 R101 R105 D106 R107 D587 Y620 P622 A623 V624	P100-Y103 HydrophobicContact CB-CD2 4.25Å; P100-Y103 HydrophobicContact CG-CD2 4.18Å; P100-Y103 WeakPolarHBondContact O-CA 3.43Å; P100-Y103 WeakPolarHBondContact O-CB 3.38Å; P100-Y103 PolarHBondContact O-N 3.27Å; R101-Y103 PolarHBondContact O-N 3.3Å; Y103-R105 VanDerWaalsContact C-N 3.27Å; Y103-R105 PolarHBondContact O-N 2.74Å; Y103-D106 PolarHBondContact O-N 3.45Å; Y103-D106 VanDerWaalsContact O-N 3.08Å; Y103-R107 WeakPolarHBondContact O-CG 3.43Å; Y103-R107 PolarHBondContact O-N 3.2Å; Y103-R107 VanDerWaalsContact O-N 3.09Å; Y103-D587 PolarHBondContact OH-OD1 2.83Å; Y103-Y620 WeakPolarHBondContact CE2-OH 3.29Å; Y103-P622 HydrophobicContact CE2-CB 3.78Å; Y103-A623 WeakPolarHBondContact OH-CB 3.37Å; Y103-A623 PolarHBondContact OH-N 2.71Å; Y103-V624 HydrophobicContact CD1-CG1 4.27Å; Y103-V624 HydrophobicContact CD2-CG2 4.5Å; Y103-V624 HydrophobicContact CE1-CG1 3.52Å; Y103-V624 HydrophobicContact CE1-CG2 4.41Å; Y103-V624 HydrophobicContact CE2-CG2 4.05Å
104	W	98.8	Very high	98.7	Very high	1 Å²	1	23.2 Å²	23.2	0%	0.004	11%	0.111	C	C	.	.	H	α-helix	trans	-51.7	-46.4	179.4	-67	-13.5	0	0	0	112.6	Y96 V99 P100 R101 D106 R107 L108 N140 A145 F146 M149	Y96-W104 HydrophobicContact CD2-CZ2 4.33Å; Y96-W104 PolarHBondContact O-NE1 3.46Å; V99-W104 PolarHBondContact O-NE1 3.23Å; P100-W104 PolarHBondContact O-N 3.3Å; R101-W104 HydrophobicContact CB-CD2 4.22Å; R101-W104 HydrophobicContact CB-CE3 4.35Å; R101-W104 HydrophobicContact CB-CH2 4.15Å; R101-W104 HydrophobicContact CB-CZ2 3.99Å; R101-W104 HydrophobicContact CB-CZ3 4.33Å; R101-W104 HydrophobicContact CG-CD2 4.06Å; R101-W104 HydrophobicContact CG-CE3 3.71Å; R101-W104 HydrophobicContact CG-CH2 3.9Å; R101-W104 HydrophobicContact CG-CZ2 4.22Å; R101-W104 HydrophobicContact CG-CZ3 3.64Å; R101-W104 VanDerWaalsContact NH1-CZ3 3.33Å; R101-W104 WeakPolarHBondContact O-CB 3.42Å; R101-W104 PolarHBondContact O-N 2.99Å; R101-W104 VanDerWaalsContact O-N 3.13Å; W104-D106 VanDerWaalsContact C-N 3.33Å; W104-D106 PolarHBondContact O-N 3.26Å; W104-R107 PolarHBondContact O-N 2.63Å; W104-L108 WeakPolarHBondContact O-CB 3.22Å; W104-L108 WeakPolarHBondContact O-CG 3.37Å; W104-L108 PolarHBondContact O-N 2.81Å; W104-N140 WeakPolarHBondContact CZ2-O 3.5Å; W104-A145 HydrophobicContact CZ3-CB 4.48Å; W104-F146 HydrophobicContact CB-CD2 4.03Å; W104-F146 HydrophobicContact CB-CE2 4.26Å; W104-F146 HydrophobicContact CD2-CB 4.41Å; W104-F146 AromaticContact CD2-CD2 3.67Å; W104-F146 HydrophobicContact CD2-CD2 3.67Å; W104-F146 HydrophobicContact CD2-CE2 4.49Å; W104-F146 HydrophobicContact CE3-CB 3.91Å; W104-F146 AromaticContact CE3-CD2 3.92Å; W104-F146 HydrophobicContact CE3-CD2 3.92Å; W104-F146 HydrophobicContact CE3-CG 4.43Å; W104-F146 AromaticContact CG-CD2 3.73Å; W104-F146 HydrophobicContact CG-CD2 3.73Å; W104-F146 HydrophobicContact CG-CE2 4.13Å; W104-F146 HydrophobicContact CH2-CB 4.33Å; W104-F146 HydrophobicContact CZ3-CB 3.85Å; W104-M149 HydrophobicContact CB-SD 3.8Å
105	R	98.7	Very high	98.6	Very high	117 Å²	117	23.2 Å²	23.2	44%	0.442	11%	0.112	S	C	.	.	H	α-helix	trans	-59.8	-44.2	-179.5	-165.4	177.6	-174	84.7	0.2	111.7	Y103 L109 M149 E152 I153	Y103-R105 VanDerWaalsContact C-N 3.27Å; Y103-R105 PolarHBondContact O-N 2.74Å; R105-L109 HydrophobicContact CG-CD1 4.01Å; R105-L109 HydrophobicContact CG-CG 4.39Å; R105-L109 WeakPolarHBondContact O-CB 3.22Å; R105-L109 VanDerWaalsContact O-CG 3.22Å; R105-L109 WeakPolarHBondContact O-CG 3.49Å; R105-L109 PolarHBondContact O-N 2.79Å; R105-M149 VanDerWaalsContact CA-SD 3.51Å; R105-M149 HydrophobicContact CB-SD 3.61Å; R105-M149 HydrophobicContact CG-SD 4.24Å; R105-M149 PolarHBondContact N-SD 3.39Å; R105-E152 IonicContact NH1-OE2 3.13Å; R105-E152 PolarHBondContact NH1-OE2 2.89Å; R105-I153 HydrophobicContact CG-CD1 4.14Å
106	D	98.6	Very high	98.5	Very high	33 Å²	33	23.2 Å²	23.2	18%	0.176	11%	0.112	C	C	.	.	H	α-helix	trans	-61.7	-47.4	177.7	172.1	87.4	0	0	0	111.1	Y103 W104 L108 L109 K110	Y103-D106 PolarHBondContact O-N 3.45Å; Y103-D106 VanDerWaalsContact O-N 3.08Å; W104-D106 VanDerWaalsContact C-N 3.33Å; W104-D106 PolarHBondContact O-N 3.26Å; D106-L108 PolarHBondContact O-N 3.36Å; D106-L109 PolarHBondContact O-N 3.46Å; D106-K110 VanDerWaalsContact O-CG 3.32Å; D106-K110 WeakPolarHBondContact O-CG 2.92Å; D106-K110 PolarHBondContact O-N 3.46Å; D106-K110 VanDerWaalsContact OD1-CE 3.29Å; D106-K110 WeakPolarHBondContact OD1-CE 3.12Å; D106-K110 IonicContact OD1-NZ 2.67Å; D106-K110 PolarHBondContact OD1-NZ 3.09Å; D106-K110 VanDerWaalsContact OD2-CE 3.23Å; D106-K110 WeakPolarHBondContact OD2-CE 3.5Å; D106-K110 IonicContact OD2-NZ 3.21Å; D106-K110 PolarHBondContact OD2-NZ 2.72Å
107	R	98.8	Very high	98.5	Very high	10 Å²	10	23.4 Å²	23.4	4%	0.038	11%	0.113	C	C	.	.	H	α-helix	trans	-64.5	-40.7	-178.2	-50.4	-45.2	-178.5	-107.4	0.8	111.9	I94 V99 Y103 W104 K110 L111 H342 A375	I94-R107 HydrophobicContact CD1-CB 4.23Å; V99-R107 HydrophobicContact CG1-CG 3.78Å; Y103-R107 WeakPolarHBondContact O-CG 3.43Å; Y103-R107 PolarHBondContact O-N 3.2Å; Y103-R107 VanDerWaalsContact O-N 3.09Å; W104-R107 PolarHBondContact O-N 2.63Å; R107-K110 PolarHBondContact O-N 2.89Å; R107-L111 PolarHBondContact O-N 3.28Å; R107-H342 PolarHBondContact NE-NE2 2.94Å; R107-A375 PolarHBondContact NH2-O 3.48Å
108	L	98.9	Very high	98.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-69.1	-38.6	176.9	-69.9	170.4	0	0	0	112.4	I94 W104 D106 K110 L111 R112 V119 F146 M149 A150 I153 L155	I94-L108 HydrophobicContact CD1-CD2 4.39Å; W104-L108 WeakPolarHBondContact O-CB 3.22Å; W104-L108 WeakPolarHBondContact O-CG 3.37Å; W104-L108 PolarHBondContact O-N 2.81Å; D106-L108 PolarHBondContact O-N 3.36Å; L108-K110 VanDerWaalsContact C-N 3.32Å; L108-K110 PolarHBondContact O-N 2.85Å; L108-L111 WeakPolarHBondContact O-CB 3.33Å; L108-L111 PolarHBondContact O-N 3.17Å; L108-R112 WeakPolarHBondContact O-CB 2.77Å; L108-R112 PolarHBondContact O-N 3.47Å; L108-V119 HydrophobicContact CD2-CB 4.13Å; L108-V119 HydrophobicContact CD2-CG1 4.19Å; L108-V119 HydrophobicContact CD2-CG2 3.86Å; L108-F146 HydrophobicContact CD1-CD2 4.33Å; L108-F146 HydrophobicContact CD1-CE2 3.98Å; L108-F146 HydrophobicContact CD1-CZ 4.47Å; L108-F146 HydrophobicContact CD2-CE2 4.27Å; L108-F146 HydrophobicContact CD2-CZ 4.06Å; L108-F146 HydrophobicContact CG-CE2 4.23Å; L108-M149 HydrophobicContact CD1-CB 4.32Å; L108-M149 HydrophobicContact CD1-CG 4Å; L108-M149 HydrophobicContact CD1-SD 4.21Å; L108-A150 HydrophobicContact CD1-CB 4.29Å; L108-A150 HydrophobicContact CD2-CB 4.33Å; L108-I153 HydrophobicContact CB-CD1 3.33Å; L108-I153 HydrophobicContact CD1-CD1 4.02Å; L108-I153 HydrophobicContact CG-CD1 4.33Å; L108-L155 HydrophobicContact CB-CD1 4.18Å; L108-L155 HydrophobicContact CD2-CD1 3.91Å
109	L	98.8	Very high	98.5	Very high	65 Å²	65	23.1 Å²	23.1	34%	0.34	11%	0.112	S	C	.	.	H	α-helix	trans	-62.4	-40.9	173.6	-78	169.5	0	0	0	111.4	R105 D106 R112 A113 I153 P401	R105-L109 HydrophobicContact CG-CD1 4.01Å; R105-L109 HydrophobicContact CG-CG 4.39Å; R105-L109 WeakPolarHBondContact O-CB 3.22Å; R105-L109 VanDerWaalsContact O-CG 3.22Å; R105-L109 WeakPolarHBondContact O-CG 3.49Å; R105-L109 PolarHBondContact O-N 2.79Å; D106-L109 PolarHBondContact O-N 3.46Å; L109-R112 PolarHBondContact O-N 3.34Å; L109-A113 VanDerWaalsContact O-CB 3.28Å; L109-A113 WeakPolarHBondContact O-CB 3.45Å; L109-A113 PolarHBondContact O-N 2.92Å; L109-I153 HydrophobicContact CD2-CG1 4.23Å; L109-I153 HydrophobicContact CD2-CG2 4.16Å; L109-I153 HydrophobicContact CG-CD1 4.21Å; L109-I153 HydrophobicContact CG-CG1 4.44Å; L109-P401 HydrophobicContact CB-CG 3.79Å
110	K	98.9	Very high	98.5	Very high	5 Å²	5	23.1 Å²	23.1	2%	0.022	11%	0.112	C	C	.	.	H	α-helix	trans	-64.1	-42	174.9	-70.7	175.3	176	160.8	0	112.1	D106 R107 L108 R112 A113 C114 L372 G376 Y378 Y382 P401	D106-K110 VanDerWaalsContact O-CG 3.32Å; D106-K110 WeakPolarHBondContact O-CG 2.92Å; D106-K110 PolarHBondContact O-N 3.46Å; D106-K110 VanDerWaalsContact OD1-CE 3.29Å; D106-K110 WeakPolarHBondContact OD1-CE 3.12Å; D106-K110 IonicContact OD1-NZ 2.67Å; D106-K110 PolarHBondContact OD1-NZ 3.09Å; D106-K110 VanDerWaalsContact OD2-CE 3.23Å; D106-K110 WeakPolarHBondContact OD2-CE 3.5Å; D106-K110 IonicContact OD2-NZ 3.21Å; D106-K110 PolarHBondContact OD2-NZ 2.72Å; R107-K110 PolarHBondContact O-N 2.89Å; L108-K110 VanDerWaalsContact C-N 3.32Å; L108-K110 PolarHBondContact O-N 2.85Å; K110-R112 VanDerWaalsContact C-N 3.34Å; K110-R112 PolarHBondContact O-N 3.06Å; K110-A113 PolarHBondContact O-N 3.35Å; K110-C114 WeakPolarHBondContact O-CB 3.22Å; K110-C114 PolarHBondContact O-N 3.18Å; K110-L372 HydrophobicContact CB-CD1 3.83Å; K110-L372 HydrophobicContact CD-CD1 3.85Å; K110-L372 HydrophobicContact CD-CD2 4.31Å; K110-L372 HydrophobicContact CG-CD1 4.49Å; K110-G376 PolarHBondContact NZ-O 2.98Å; K110-Y378 HydrophobicContact CB-CE1 4.27Å; K110-Y378 HydrophobicContact CD-CE1 3.76Å; K110-Y378 VanDerWaalsContact CE-OH 3.27Å; K110-Y378 WeakPolarHBondContact CE-OH 3.36Å; K110-Y378 HydrophobicContact CG-CE1 3.74Å; K110-Y378 WeakPolarHBondContact CG-OH 3.41Å; K110-Y382 HydrophobicContact CB-CE2 4.31Å; K110-Y382 WeakPolarHBondContact O-CE2 3.44Å; K110-Y382 PolarHBondContact O-OH 3.22Å; K110-P401 HydrophobicContact CG-CB 4.41Å; K110-P401 HydrophobicContact CG-CG 4.02Å
111	L	98.8	Very high	98.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-56.5	-49	172.4	178.7	66.6	0	0	0	111.4	I94 R107 L108 C114 F116 V119 L155 F341	I94-L111 HydrophobicContact CD1-CB 4.09Å; I94-L111 HydrophobicContact CD1-CD2 3.99Å; R107-L111 PolarHBondContact O-N 3.28Å; L108-L111 WeakPolarHBondContact O-CB 3.33Å; L108-L111 PolarHBondContact O-N 3.17Å; L111-C114 PolarHBondContact O-N 3.18Å; L111-F116 HydrophobicContact CD1-CB 3.46Å; L111-F116 VanDerWaalsContact CD1-CB 3.46Å; L111-F116 HydrophobicContact CD1-CD1 3.95Å; L111-F116 HydrophobicContact CD1-CD2 3.77Å; L111-F116 HydrophobicContact CD1-CG 3.44Å; L111-F116 VanDerWaalsContact CD1-CG 3.44Å; L111-F116 HydrophobicContact CG-CB 3.81Å; L111-F116 HydrophobicContact CG-CG 4.33Å; L111-F116 PolarHBondContact O-N 3.47Å; L111-V119 HydrophobicContact CD2-CB 3.66Å; L111-V119 HydrophobicContact CD2-CG2 3.85Å; L111-L155 HydrophobicContact CD2-CD1 3.98Å; L111-L155 HydrophobicContact CD2-CD2 4.35Å; L111-L155 HydrophobicContact CG-CD1 4.46Å; L111-L155 HydrophobicContact CG-CD2 4.43Å; L111-F341 VanDerWaalsContact CA-CZ 3.43Å; L111-F341 HydrophobicContact CB-CD1 4.08Å; L111-F341 HydrophobicContact CB-CE1 3.69Å; L111-F341 HydrophobicContact CB-CZ 4.05Å; L111-F341 HydrophobicContact CD1-CB 4.17Å; L111-F341 HydrophobicContact CD1-CD1 3.64Å; L111-F341 HydrophobicContact CD1-CD2 3.44Å; L111-F341 VanDerWaalsContact CD1-CD2 3.44Å; L111-F341 HydrophobicContact CD1-CE1 3.83Å; L111-F341 HydrophobicContact CD1-CE2 3.65Å; L111-F341 HydrophobicContact CD1-CG 3.45Å; L111-F341 VanDerWaalsContact CD1-CG 3.45Å; L111-F341 HydrophobicContact CD1-CZ 3.85Å; L111-F341 HydrophobicContact CG-CD1 4.41Å; L111-F341 HydrophobicContact CG-CE1 4.37Å
112	R	98.2	Very high	98.6	Very high	44 Å²	44	18.6 Å²	18.6	17%	0.166	9%	0.094	C	C	.	.	H	α-helix	trans	-64.7	-44.3	179.6	-174.1	62.2	-179.7	143.8	-1.9	112.7	L108 L109 K110 C114 G115 F116 I153 L155 P398	L108-R112 WeakPolarHBondContact O-CB 2.77Å; L108-R112 PolarHBondContact O-N 3.47Å; L109-R112 PolarHBondContact O-N 3.34Å; K110-R112 VanDerWaalsContact C-N 3.34Å; K110-R112 PolarHBondContact O-N 3.06Å; R112-C114 VanDerWaalsContact C-N 3.26Å; R112-C114 PolarHBondContact O-N 2.94Å; R112-G115 PolarHBondContact O-N 2.81Å; R112-F116 PolarHBondContact NH1-O 2.79Å; R112-F116 VanDerWaalsContact NH1-O 3.13Å; R112-I153 HydrophobicContact CB-CG2 3.71Å; R112-I153 HydrophobicContact CG-CG2 4.01Å; R112-L155 HydrophobicContact CB-CD1 4.45Å; R112-L155 HydrophobicContact CB-CD2 4.23Å; R112-L155 HydrophobicContact CB-CG 4.36Å; R112-P398 HydrophobicContact CG-CG 4.28Å
113	A	98.3	Very high	98.6	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.008	7%	0.066	C	C	.	.	H	α-helix	trans	-68.1	-23.7	178.7	0	0	0	0	0	113.2	L109 K110 G115 Q386 V400	L109-A113 VanDerWaalsContact O-CB 3.28Å; L109-A113 WeakPolarHBondContact O-CB 3.45Å; L109-A113 PolarHBondContact O-N 2.92Å; K110-A113 PolarHBondContact O-N 3.35Å; A113-G115 PolarHBondContact O-N 3.06Å; A113-Q386 PolarHBondContact O-NE2 2.88Å; A113-V400 HydrophobicContact CB-CG2 4.46Å
114	C	98.4	Very high	98.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-14.7	171.3	-165.1	0	0	0	0	112.4	K110 L111 R112 F116 F341 Y382 Q386 L389	K110-C114 WeakPolarHBondContact O-CB 3.22Å; K110-C114 PolarHBondContact O-N 3.18Å; L111-C114 PolarHBondContact O-N 3.18Å; R112-C114 VanDerWaalsContact C-N 3.26Å; R112-C114 PolarHBondContact O-N 2.94Å; C114-F116 HydrophobicContact CB-CD2 3.92Å; C114-F116 HydrophobicContact CB-CE2 4.16Å; C114-F341 HydrophobicContact CB-CE2 4.06Å; C114-F341 HydrophobicContact CB-CZ 4.05Å; C114-Y382 HydrophobicContact CB-CD2 4.19Å; C114-Y382 HydrophobicContact CB-CE2 3.57Å; C114-Y382 PolarHBondContact N-OH 3.44Å; C114-Q386 WeakPolarHBondContact O-CA 3.31Å; C114-L389 VanDerWaalsContact O-CD1 3.3Å; C114-L389 WeakPolarHBondContact O-CD1 3.3Å
115	G	97.2	Very high	98.6	Very high	2 Å²	2	13.6 Å²	13.6	2%	0.021	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	104	6.9	177.1	0	0	0	0	0	114.8	R112 A113	R112-G115 PolarHBondContact O-N 2.81Å; A113-G115 PolarHBondContact O-N 3.06Å
116	F	98.2	Very high	98.6	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.039	C	C	.	.			trans	-72.9	151.3	172.4	-68.4	-102.6	0	0	0	110.6	C90 G91 L111 R112 C114 F336 V338 F341 L385 L389	C90-F116 HydrophobicContact CB-CD1 4.41Å; C90-F116 WeakPolarHBondContact O-CB 3.11Å; C90-F116 WeakPolarHBondContact O-CD1 3.34Å; G91-F116 VanDerWaalsContact O-CD1 3.24Å; G91-F116 WeakPolarHBondContact O-CD1 3.41Å; G91-F116 WeakPolarHBondContact O-CE1 3.47Å; L111-F116 HydrophobicContact CD1-CB 3.46Å; L111-F116 VanDerWaalsContact CD1-CB 3.46Å; L111-F116 HydrophobicContact CD1-CD1 3.95Å; L111-F116 HydrophobicContact CD1-CD2 3.77Å; L111-F116 HydrophobicContact CD1-CG 3.44Å; L111-F116 VanDerWaalsContact CD1-CG 3.44Å; L111-F116 HydrophobicContact CG-CB 3.81Å; L111-F116 HydrophobicContact CG-CG 4.33Å; L111-F116 PolarHBondContact O-N 3.47Å; R112-F116 PolarHBondContact NH1-O 2.79Å; R112-F116 VanDerWaalsContact NH1-O 3.13Å; C114-F116 HydrophobicContact CB-CD2 3.92Å; C114-F116 HydrophobicContact CB-CE2 4.16Å; F116-F336 AromaticContact CE1-CE2 3.97Å; F116-F336 HydrophobicContact CE1-CE2 3.97Å; F116-V338 HydrophobicContact CE1-CB 4.21Å; F116-V338 HydrophobicContact CE1-CG2 3.9Å; F116-V338 HydrophobicContact CZ-CB 4.44Å; F116-V338 HydrophobicContact CZ-CG2 4.01Å; F116-F341 HydrophobicContact CD2-CD2 4.15Å; F116-F341 AromaticContact CD2-CE2 3.78Å; F116-F341 HydrophobicContact CD2-CE2 3.78Å; F116-F341 HydrophobicContact CE1-CD2 4.45Å; F116-F341 AromaticContact CE2-CD2 3.76Å; F116-F341 HydrophobicContact CE2-CD2 3.76Å; F116-F341 AromaticContact CE2-CE2 3.5Å; F116-F341 HydrophobicContact CE2-CE2 3.5Å; F116-F341 VanDerWaalsContact CE2-CE2 3.5Å; F116-F341 AromaticContact CZ-CD2 3.92Å; F116-F341 HydrophobicContact CZ-CD2 3.92Å; F116-F341 HydrophobicContact CZ-CE2 4.13Å; F116-L385 HydrophobicContact CZ-CD1 4.37Å; F116-L389 HydrophobicContact CD2-CD1 3.9Å; F116-L389 HydrophobicContact CE2-CD1 3.75Å; F116-L389 HydrophobicContact CZ-CD1 4.27Å
117	N	97.9	Very high	98.6	Very high	4 Å²	4	7.9 Å²	7.9	2%	0.021	4%	0.038	C	C	.	.			trans	-116.6	-8.9	-179.1	63.9	25.2	0	0	0	113.1	W53 L88 C90 W156	W53-N117 HydrophobicContact CE3-CB 4.05Å; W53-N117 HydrophobicContact CZ3-CB 4.4Å; L88-N117 PolarHBondContact O-ND2 3.41Å; C90-N117 PolarHBondContact N-OD1 3.11Å; C90-N117 PolarHBondContact O-N 2.98Å; C90-N117 PolarHBondContact O-OD1 3.1Å; N117-W156 PolarHBondContact O-N 3.4Å
118	T	98.9	Very high	98.6	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	137.3	-175.4	-54.5	0	0	0	0	109.9	I89 C90 G91 G92 W156 I158 I220	I89-T118 HydrophobicContact CG2-CG2 4.1Å; C90-T118 PolarHBondContact O-N 2.95Å; G91-T118 CarbonylContact C-O 3.6Å; G91-T118 VanDerWaalsContact CA-O 3.28Å; G91-T118 WeakPolarHBondContact CA-O 3.42Å; G92-T118 PolarHBondContact N-O 3.15Å; T118-W156 CarbonylContact C-O 3.53Å; T118-W156 VanDerWaalsContact CA-O 3.29Å; T118-W156 WeakPolarHBondContact CA-O 3.4Å; T118-W156 HydrophobicContact CG2-CB 4.26Å; T118-I158 HydrophobicContact CG2-CD1 4.12Å; T118-I158 HydrophobicContact CG2-CG1 3.8Å; T118-I220 HydrophobicContact CG2-CD1 4.48Å
119	V	98.9	Very high	98.6	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	142.1	166.7	64.3	0	0	0	0	109.6	G92 I94 L108 L111 F146 A150 L155 W156 V157 I158	G92-V119 WeakPolarHBondContact O-CA 3.44Å; I94-V119 HydrophobicContact CB-CG2 4.13Å; I94-V119 HydrophobicContact CG1-CG2 4.31Å; L108-V119 HydrophobicContact CD2-CB 4.13Å; L108-V119 HydrophobicContact CD2-CG1 4.19Å; L108-V119 HydrophobicContact CD2-CG2 3.86Å; L111-V119 HydrophobicContact CD2-CB 3.66Å; L111-V119 HydrophobicContact CD2-CG2 3.85Å; V119-F146 HydrophobicContact CG2-CZ 4.42Å; V119-A150 HydrophobicContact CG1-CB 3.68Å; V119-L155 HydrophobicContact CG1-CB 4.47Å; V119-W156 PolarHBondContact N-O 2.79Å; V119-V157 HydrophobicContact CG1-CG2 3.77Å; V119-V157 WeakPolarHBondContact O-CA 3.29Å; V119-I158 PolarHBondContact O-N 3.28Å
120	T	98.9	Very high	98.4	Very high	1 Å²	1	7 Å²	7	1%	0.006	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.9	174.7	-51.9	0	0	0	0	109	G92 S93 I94 I158 R160 M300 N337	G92-T120 PolarHBondContact O-N 3.21Å; S93-T120 WeakPolarHBondContact CA-O 3.49Å; I94-T120 PolarHBondContact N-O 2.61Å; T120-I158 WeakPolarHBondContact CA-O 3.37Å; T120-I158 HydrophobicContact CG2-CB 4.22Å; T120-I158 HydrophobicContact CG2-CG2 4.28Å; T120-R160 VanDerWaalsContact CG2-CD 3.45Å; T120-R160 HydrophobicContact CG2-CG 4.01Å; T120-M300 HydrophobicContact CG2-SD 4.47Å; T120-N337 WeakPolarHBondContact CB-OD1 3.34Å; T120-N337 PolarHBondContact OG1-OD1 3.38Å
121	T	98.9	Very high	98.4	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	144.5	173	-171.1	0	0	0	0	111.8	I94 Y96 F146 I158 L159 R160	I94-T121 WeakPolarHBondContact O-CB 3.46Å; I94-T121 PolarHBondContact O-OG1 2.73Å; Y96-T121 HydrophobicContact CD1-CG2 4.2Å; Y96-T121 WeakPolarHBondContact CD1-OG1 3.43Å; Y96-T121 HydrophobicContact CE1-CG2 4.34Å; T121-F146 HydrophobicContact CG2-CD1 4.3Å; T121-F146 HydrophobicContact CG2-CE1 4Å; T121-I158 PolarHBondContact N-O 3.21Å; T121-L159 HydrophobicContact CG2-CD1 3.98Å; T121-R160 PolarHBondContact O-N 2.64Å
122	Y	98.9	Very high	98.2	Very high	3 Å²	3	13.4 Å²	13.4	1%	0.012	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	167	163.2	-73.1	-62.1	0	0	0	112.2	H95 Y96 R160 I165 N226 E301 Y339	H95-Y122 AromaticContact CE1-CD2 3.5Å; H95-Y122 VanDerWaalsContact CE1-CD2 3.5Å; H95-Y122 WeakPolarHBondContact CE1-CD2 3.32Å; H95-Y122 AromaticContact NE2-CD2 3.38Å; H95-Y122 WeakPolarHBondContact NE2-CD2 3.3Å; Y96-Y122 VanDerWaalsContact CE1-O 3.23Å; Y96-Y122 WeakPolarHBondContact CE1-O 3.29Å; Y122-R160 VanDerWaalsContact CA-O 3.29Å; Y122-R160 WeakPolarHBondContact CA-O 3.4Å; Y122-R160 HydrophobicContact CD1-CB 3.3Å; Y122-R160 HydrophobicContact CD1-CG 4.31Å; Y122-R160 WeakPolarHBondContact CD1-O 3.49Å; Y122-R160 HydrophobicContact CE1-CB 3.66Å; Y122-R160 HydrophobicContact CE1-CG 4.35Å; Y122-R160 VanDerWaalsContact CE1-CZ 3.43Å; Y122-R160 VanDerWaalsContact CE1-NE 3.28Å; Y122-R160 HydrophobicContact CG-CB 4.22Å; Y122-R160 PolarHBondContact OH-NH1 3.02Å; Y122-R160 VanDerWaalsContact OH-NH1 3.16Å; Y122-R160 PolarHBondContact OH-NH2 3.42Å; Y122-I165 HydrophobicContact CD1-CB 3.51Å; Y122-I165 HydrophobicContact CD1-CG2 3.51Å; Y122-I165 HydrophobicContact CD2-CB 4.29Å; Y122-I165 HydrophobicContact CE1-CB 3.92Å; Y122-I165 HydrophobicContact CE1-CG2 4.2Å; Y122-I165 HydrophobicContact CG-CB 3.72Å; Y122-I165 HydrophobicContact CG-CD1 4.22Å; Y122-I165 HydrophobicContact CG-CG2 3.96Å; Y122-I165 VanDerWaalsContact CZ-O 3.3Å; Y122-I165 PolarHBondContact OH-O 3.18Å; Y122-N226 HydrophobicContact CE1-CB 4.45Å; Y122-N226 VanDerWaalsContact OH-CG 3.23Å; Y122-N226 PolarHBondContact OH-ND2 3.02Å; Y122-N226 PolarHBondContact OH-OD1 2.84Å; Y122-E301 PolarHBondContact OH-OE1 3.13Å; Y122-Y339 AromaticContact CE2-CE2 3.85Å; Y122-Y339 HydrophobicContact CE2-CE2 3.85Å
123	V	98.9	Very high	98.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.08	C	C	.	.			trans	-120.5	113.4	169	-175.1	0	0	0	0	108.9	W125 H128 L143 L159 R160 P161 Y200 L204	V123-W125 PolarHBondContact O-N 2.68Å; V123-H128 VanDerWaalsContact CG1-CD2 3.48Å; V123-H128 WeakPolarHBondContact CG1-CD2 3.08Å; V123-L143 HydrophobicContact CG1-CD2 4.38Å; V123-L143 HydrophobicContact CG2-CD1 4.26Å; V123-L143 HydrophobicContact CG2-CD2 3.88Å; V123-L159 HydrophobicContact CG2-CD1 3.74Å; V123-L159 HydrophobicContact CG2-CG 4.27Å; V123-R160 PolarHBondContact N-O 3.44Å; V123-R160 VanDerWaalsContact N-O 3.16Å; V123-P161 HydrophobicContact CG2-CB 4.5Å; V123-Y200 VanDerWaalsContact CG1-OH 3.24Å; V123-Y200 WeakPolarHBondContact CG1-OH 3.24Å; V123-L204 HydrophobicContact CB-CD2 4.44Å; V123-L204 HydrophobicContact CG1-CD1 3.92Å; V123-L204 HydrophobicContact CG1-CD2 4.04Å
124	P	98.6	Very high	98.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.101	C	C	.	.			trans	-84	98.8	-175	33.3	-33.6	0	0	0	111.3	Y96 F97 N126 L127 H128 I165 M169	Y96-P124 VanDerWaalsContact OH-CD 3.25Å; Y96-P124 WeakPolarHBondContact OH-CD 3.43Å; F97-P124 HydrophobicContact CB-CG 4.03Å; F97-P124 HydrophobicContact CD1-CB 4.35Å; F97-P124 VanDerWaalsContact CD1-CD 3.49Å; F97-P124 HydrophobicContact CD1-CG 3.5Å; F97-P124 HydrophobicContact CD2-CG 4.29Å; F97-P124 HydrophobicContact CE1-CB 4.35Å; F97-P124 HydrophobicContact CE1-CG 3.92Å; F97-P124 HydrophobicContact CG-CB 4.47Å; F97-P124 HydrophobicContact CG-CG 3.7Å; F97-P124 HydrophobicContact CZ-CB 4.5Å; F97-P124 HydrophobicContact CZ-CG 4.47Å; P124-N126 VanDerWaalsContact C-N 3.29Å; P124-N126 PolarHBondContact O-N 3.26Å; P124-L127 HydrophobicContact CB-CB 4.34Å; P124-L127 HydrophobicContact CB-CD1 4.18Å; P124-L127 HydrophobicContact CB-CG 4.17Å; P124-L127 HydrophobicContact CG-CB 4.07Å; P124-L127 HydrophobicContact CG-CD1 3.88Å; P124-L127 HydrophobicContact CG-CG 4.19Å; P124-L127 PolarHBondContact O-N 3.19Å; P124-L127 VanDerWaalsContact O-N 3.09Å; P124-H128 PolarHBondContact O-CD2 3.31Å; P124-H128 PolarHBondContact O-N 2.88Å; P124-H128 VanDerWaalsContact O-N 3.16Å; P124-I165 HydrophobicContact CB-CD1 4.1Å; P124-M169 HydrophobicContact CB-CE 3.69Å; P124-M169 HydrophobicContact CB-SD 3.7Å
125	W	98.9	Very high	98.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-54.2	-43.7	-177.9	178.9	13.5	0	0	0	112.4	V123 L127 H128 E129 P163 G173 L174 P175 W177 L178 F193 A196 V197 Y200	V123-W125 PolarHBondContact O-N 2.68Å; W125-L127 VanDerWaalsContact C-N 3.26Å; W125-L127 PolarHBondContact O-N 3.05Å; W125-H128 CarbonylContact O-C 3.47Å; W125-H128 PolarHBondContact O-N 2.99Å; W125-E129 PolarHBondContact NE1-OE2 3.11Å; W125-E129 PolarHBondContact O-N 3.45Å; W125-P163 HydrophobicContact CE3-CB 3.62Å; W125-P163 HydrophobicContact CZ3-CB 3.75Å; W125-G173 CarbonylContact C-O 3.58Å; W125-G173 WeakPolarHBondContact CB-O 3.33Å; W125-G173 PolarHBondContact N-O 2.82Å; W125-L174 HydrophobicContact CE3-CD2 3.66Å; W125-L174 HydrophobicContact CZ3-CD2 3.89Å; W125-P175 HydrophobicContact CD2-CG 3.72Å; W125-P175 HydrophobicContact CE3-CG 4.46Å; W125-P175 HydrophobicContact CG-CG 3.71Å; W125-P175 HydrophobicContact CZ2-CG 4.34Å; W125-W177 HydrophobicContact CH2-CH2 4.44Å; W125-W177 AromaticContact CZ2-CH2 3.73Å; W125-W177 HydrophobicContact CZ2-CH2 3.73Å; W125-W177 HydrophobicContact CZ2-CZ2 4.01Å; W125-L178 HydrophobicContact CH2-CD1 4.02Å; W125-L178 HydrophobicContact CH2-CD2 4.36Å; W125-L178 HydrophobicContact CZ3-CD1 3.95Å; W125-F193 HydrophobicContact CZ3-CE2 4.33Å; W125-A196 HydrophobicContact CH2-CB 3.81Å; W125-A196 HydrophobicContact CZ2-CB 4.11Å; W125-A196 WeakPolarHBondContact CZ2-O 3.4Å; W125-V197 HydrophobicContact CH2-CG2 3.93Å; W125-V197 HydrophobicContact CZ3-CG2 3.77Å; W125-Y200 HydrophobicContact CB-CD1 4.39Å; W125-Y200 HydrophobicContact CB-CD2 4.29Å; W125-Y200 HydrophobicContact CB-CE1 3.98Å; W125-Y200 HydrophobicContact CB-CE2 3.87Å; W125-Y200 AromaticContact CD1-CD2 3.27Å; W125-Y200 AromaticContact CD1-CE2 3.63Å; W125-Y200 AromaticContact CD1-CG 3.63Å; W125-Y200 AromaticContact CD2-CD1 3.86Å; W125-Y200 HydrophobicContact CD2-CD1 3.86Å; W125-Y200 HydrophobicContact CD2-CD2 4.19Å; W125-Y200 HydrophobicContact CD2-CE1 4.31Å; W125-Y200 AromaticContact CD2-CG 3.77Å; W125-Y200 HydrophobicContact CD2-CG 3.77Å; W125-Y200 VanDerWaalsContact CE2-CB 3.49Å; W125-Y200 AromaticContact CE2-CG 3.7Å; W125-Y200 HydrophobicContact CE3-CD1 4.16Å; W125-Y200 HydrophobicContact CE3-CG 4.46Å; W125-Y200 AromaticContact CG-CD1 3.96Å; W125-Y200 HydrophobicContact CG-CD1 3.96Å; W125-Y200 AromaticContact CG-CD2 3.69Å; W125-Y200 HydrophobicContact CG-CD2 3.69Å; W125-Y200 HydrophobicContact CG-CE1 4.05Å; W125-Y200 AromaticContact CG-CE2 3.79Å; W125-Y200 HydrophobicContact CG-CE2 3.79Å; W125-Y200 AromaticContact CG-CG 3.76Å; W125-Y200 HydrophobicContact CG-CG 3.76Å; W125-Y200 AromaticContact CG-CZ 3.94Å; W125-Y200 HydrophobicContact CZ2-CG 4.32Å; W125-Y200 AromaticContact NE1-CD2 3.61Å; W125-Y200 AromaticContact NE1-CG 3.62Å
126	N	98.7	Very high	98.2	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-57.6	-31.1	178.3	61	-3.9	0	0	0	115.2	P124 P130 M169 D170 G173 L174 P175	P124-N126 VanDerWaalsContact C-N 3.29Å; P124-N126 PolarHBondContact O-N 3.26Å; N126-P130 WeakPolarHBondContact O-CA 3.29Å; N126-M169 WeakPolarHBondContact OD1-CE 3.41Å; N126-D170 PolarHBondContact ND2-O 3.47Å; N126-D170 VanDerWaalsContact ND2-O 3.07Å; N126-G173 PolarHBondContact N-O 3.13Å; N126-L174 WeakPolarHBondContact CB-O 3.17Å; N126-P175 HydrophobicContact CB-CG 4.5Å
127	L	98.5	Very high	98.2	Very high	30 Å²	30	24.7 Å²	24.7	16%	0.157	13%	0.13	C	C	.	.	H	α-helix	trans	-83.5	-32.5	175	-60.2	-176.1	0	0	0	112	F97 P124 W125 P130 L141 M169 M350	F97-L127 HydrophobicContact CB-CD1 3.97Å; F97-L127 HydrophobicContact CG-CD1 4.48Å; P124-L127 HydrophobicContact CB-CB 4.34Å; P124-L127 HydrophobicContact CB-CD1 4.18Å; P124-L127 HydrophobicContact CB-CG 4.17Å; P124-L127 HydrophobicContact CG-CB 4.07Å; P124-L127 HydrophobicContact CG-CD1 3.88Å; P124-L127 HydrophobicContact CG-CG 4.19Å; P124-L127 PolarHBondContact O-N 3.19Å; P124-L127 VanDerWaalsContact O-N 3.09Å; W125-L127 VanDerWaalsContact C-N 3.26Å; W125-L127 PolarHBondContact O-N 3.05Å; L127-P130 WeakPolarHBondContact O-CD 3.49Å; L127-L141 HydrophobicContact CB-CD1 3.97Å; L127-L141 HydrophobicContact CB-CD2 3.8Å; L127-L141 HydrophobicContact CD1-CD2 4.01Å; L127-L141 WeakPolarHBondContact O-CD1 3.31Å; L127-M169 HydrophobicContact CD1-CE 3.48Å; L127-M169 VanDerWaalsContact CD1-CE 3.48Å; L127-M169 HydrophobicContact CD2-CE 4.01Å; L127-M169 HydrophobicContact CG-CE 3.47Å; L127-M169 VanDerWaalsContact CG-CE 3.47Å; L127-M350 HydrophobicContact CD1-CE 3.94Å; L127-M350 HydrophobicContact CD1-SD 4.22Å; L127-M350 HydrophobicContact CD2-CG 4.35Å
128	H	98.8	Very high	98.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-76.3	-29.6	177	-71.4	-61.4	0	0	0	113	Y96 V123 P124 W125 P130 F135 D136 F137 L141	Y96-H128 AromaticContact CZ-NE2 3.74Å; Y96-H128 PolarHBondContact OH-CE1 3.44Å; Y96-H128 PolarHBondContact OH-NE2 3.37Å; V123-H128 VanDerWaalsContact CG1-CD2 3.48Å; V123-H128 WeakPolarHBondContact CG1-CD2 3.08Å; P124-H128 PolarHBondContact O-CD2 3.31Å; P124-H128 PolarHBondContact O-N 2.88Å; P124-H128 VanDerWaalsContact O-N 3.16Å; W125-H128 CarbonylContact O-C 3.47Å; W125-H128 PolarHBondContact O-N 2.99Å; H128-P130 VanDerWaalsContact C-CD 3.48Å; H128-F135 CarbonylContact O-C 3.58Å; H128-F135 WeakPolarHBondContact O-CA 3.39Å; H128-D136 PolarHBondContact ND1-O 3.35Å; H128-D136 PolarHBondContact O-N 2.85Å; H128-F137 HydrophobicContact CB-CZ 4.2Å; H128-F137 AromaticContact CE1-CD1 3.66Å; H128-F137 AromaticContact CE1-CE1 3.68Å; H128-F137 AromaticContact CG-CE1 3.87Å; H128-F137 AromaticContact ND1-CD1 3.51Å; H128-F137 AromaticContact ND1-CE1 3.43Å; H128-F137 WeakPolarHBondContact ND1-CE1 3.46Å; H128-F137 AromaticContact ND1-CZ 3.91Å; H128-L141 PolarHBondContact CE1-O 2.97Å
129	E	98.6	Very high	98.1	Very high	3 Å²	3	29.9 Å²	29.9	1%	0.014	17%	0.173	C	C	.	.			trans	-131.1	64.4	178.1	-164.3	-178.2	-178.5	0	0	110.7	W125 E131 G133 F135 W177	W125-E129 PolarHBondContact NE1-OE2 3.11Å; W125-E129 PolarHBondContact O-N 3.45Å; E129-E131 VanDerWaalsContact CG-O 3.31Å; E129-E131 WeakPolarHBondContact CG-O 3.41Å; E129-E131 PolarHBondContact O-N 3.43Å; E129-G133 WeakPolarHBondContact OE1-CA 3.44Å; E129-G133 PolarHBondContact OE1-N 3.08Å; E129-F135 HydrophobicContact CB-CD1 3.94Å; E129-F135 HydrophobicContact CB-CE1 3.65Å; E129-F135 HydrophobicContact CB-CZ 4.19Å; E129-F135 HydrophobicContact CG-CD1 4.22Å; E129-F135 HydrophobicContact CG-CE1 3.78Å; E129-F135 HydrophobicContact CG-CE2 4.2Å; E129-F135 HydrophobicContact CG-CZ 3.79Å; E129-F135 WeakPolarHBondContact OE2-CE1 3.31Å; E129-F135 WeakPolarHBondContact OE2-CZ 3.12Å; E129-W177 HydrophobicContact CG-CZ2 4.17Å; E129-W177 PolarHBondContact O-NE1 3.07Å
130	P	95.9	Very high	98	Very high	52 Å²	52	32.3 Å²	32.3	34%	0.338	19%	0.186	S	C	.	.	S	Bend	trans	-65.9	-27.4	-177	28.1	-35	0	0	0	112.1	N126 L127 H128	N126-P130 WeakPolarHBondContact O-CA 3.29Å; L127-P130 WeakPolarHBondContact O-CD 3.49Å; H128-P130 VanDerWaalsContact C-CD 3.48Å
131	E	97.1	Very high	98	Very high	37 Å²	37	33.3 Å²	33.3	17%	0.173	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-120	139.3	169.2	-69.4	177.6	-137.5	0	0	108.9	E129 G133 K134 N445 S448	E129-E131 VanDerWaalsContact CG-O 3.31Å; E129-E131 WeakPolarHBondContact CG-O 3.41Å; E129-E131 PolarHBondContact O-N 3.43Å; E131-G133 PolarHBondContact O-N 3.13Å; E131-G133 VanDerWaalsContact O-N 3.17Å; E131-K134 HydrophobicContact CB-CB 4.14Å; E131-K134 HydrophobicContact CB-CD 4.05Å; E131-K134 HydrophobicContact CB-CG 4.32Å; E131-K134 PolarHBondContact O-N 3.32Å; E131-K134 WeakPolarHBondContact OE2-CD 3.4Å; E131-K134 WeakPolarHBondContact OE2-CE 3.33Å; E131-K134 IonicContact OE2-NZ 3.73Å; E131-K134 PolarHBondContact OE2-NZ 3.3Å; E131-N445 HydrophobicContact CG-CB 3.98Å; E131-S448 WeakPolarHBondContact CA-OG 3.44Å
132	R	96.4	Very high	98	Very high	104 Å²	104	34.7 Å²	34.7	39%	0.392	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	122.2	-177.4	-170	-171.3	-63.2	-99.3	7.2	110.6	K134 W177 S448	R132-K134 VanDerWaalsContact C-N 3.33Å; R132-W177 HydrophobicContact CB-CD2 4.12Å; R132-W177 HydrophobicContact CB-CG 4.37Å; R132-W177 HydrophobicContact CG-CD2 4.41Å; R132-W177 HydrophobicContact CG-CE3 4.36Å; R132-W177 HydrophobicContact CG-CH2 4.39Å; R132-W177 HydrophobicContact CG-CZ2 4.45Å; R132-W177 HydrophobicContact CG-CZ3 4.35Å; R132-W177 VanDerWaalsContact NH2-CE3 3.31Å; R132-W177 PolarHBondContact NH2-O 3.09Å; R132-S448 PolarHBondContact N-OG 3.15Å
133	G	97	Very high	98	Very high	51 Å²	51	34.6 Å²	34.6	53%	0.526	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	-0.5	-179.1	0	0	0	0	0	115.7	E129 E131	E129-G133 WeakPolarHBondContact OE1-CA 3.44Å; E129-G133 PolarHBondContact OE1-N 3.08Å; E131-G133 PolarHBondContact O-N 3.13Å; E131-G133 VanDerWaalsContact O-N 3.17Å
134	K	97.9	Very high	97.9	Very high	105 Å²	105	37 Å²	37	46%	0.457	21%	0.209	S	C	.	.	B	Isolated β-bridge	trans	-109	106	178.1	-66.2	-172.5	-175.8	166.8	0	110.5	E131 R132	E131-K134 HydrophobicContact CB-CB 4.14Å; E131-K134 HydrophobicContact CB-CD 4.05Å; E131-K134 HydrophobicContact CB-CG 4.32Å; E131-K134 PolarHBondContact O-N 3.32Å; E131-K134 WeakPolarHBondContact OE2-CD 3.4Å; E131-K134 WeakPolarHBondContact OE2-CE 3.33Å; E131-K134 IonicContact OE2-NZ 3.73Å; E131-K134 PolarHBondContact OE2-NZ 3.3Å; R132-K134 VanDerWaalsContact C-N 3.33Å
135	F	98.3	Very high	98	Very high	48 Å²	48	38 Å²	38	21%	0.211	22%	0.217	C	C	.	.			trans	-97.1	134.4	-176.3	-67.9	-88.6	0	0	0	113.4	H128 E129 F137 Y200 H203	H128-F135 CarbonylContact O-C 3.58Å; H128-F135 WeakPolarHBondContact O-CA 3.39Å; E129-F135 HydrophobicContact CB-CD1 3.94Å; E129-F135 HydrophobicContact CB-CE1 3.65Å; E129-F135 HydrophobicContact CB-CZ 4.19Å; E129-F135 HydrophobicContact CG-CD1 4.22Å; E129-F135 HydrophobicContact CG-CE1 3.78Å; E129-F135 HydrophobicContact CG-CE2 4.2Å; E129-F135 HydrophobicContact CG-CZ 3.79Å; E129-F135 WeakPolarHBondContact OE2-CE1 3.31Å; E129-F135 WeakPolarHBondContact OE2-CZ 3.12Å; F135-F137 HydrophobicContact CB-CD2 4.3Å; F135-F137 HydrophobicContact CB-CE2 4Å; F135-F137 HydrophobicContact CD1-CE2 4.17Å; F135-F137 HydrophobicContact CG-CE2 4.47Å; F135-Y200 HydrophobicContact CE1-CD2 4.1Å; F135-H203 HydrophobicContact CD1-CB 3.93Å; F135-H203 HydrophobicContact CD2-CB 4.1Å; F135-H203 AromaticContact CD2-CD2 3.28Å; F135-H203 WeakPolarHBondContact CD2-CD2 3.43Å; F135-H203 AromaticContact CD2-CE1 3.85Å; F135-H203 AromaticContact CD2-CG 3.47Å; F135-H203 VanDerWaalsContact CD2-CG 3.47Å; F135-H203 AromaticContact CD2-ND1 3.83Å; F135-H203 AromaticContact CD2-NE2 3.54Å; F135-H203 HydrophobicContact CE1-CB 3.86Å; F135-H203 HydrophobicContact CE2-CB 4.05Å; F135-H203 AromaticContact CE2-CD2 3.54Å; F135-H203 AromaticContact CE2-CE1 3.34Å; F135-H203 WeakPolarHBondContact CE2-CE1 3.4Å; F135-H203 AromaticContact CE2-CG 3.33Å; F135-H203 AromaticContact CE2-ND1 3.21Å; F135-H203 WeakPolarHBondContact CE2-ND1 3.32Å; F135-H203 AromaticContact CE2-NE2 3.55Å; F135-H203 HydrophobicContact CG-CB 4.04Å; F135-H203 AromaticContact CG-CD2 3.86Å; F135-H203 AromaticContact CG-CG 3.91Å; F135-H203 HydrophobicContact CZ-CB 3.91Å; F135-H203 AromaticContact CZ-CG 3.63Å; F135-H203 AromaticContact CZ-ND1 3.49Å; F135-H203 WeakPolarHBondContact CZ-ND1 3.48Å
136	D	98	Very high	98	Very high	60 Å²	60	38 Å²	38	32%	0.321	22%	0.218	S	C	.	.			trans	-118.4	120.9	172.7	-172.8	11.6	0	0	0	111.4	H128 S138 L141	H128-D136 PolarHBondContact ND1-O 3.35Å; H128-D136 PolarHBondContact O-N 2.85Å; D136-S138 VanDerWaalsContact OD1-CB 3.27Å; D136-S138 WeakPolarHBondContact OD1-CB 3.46Å; D136-S138 PolarHBondContact OD1-N 3.12Å; D136-S138 PolarHBondContact OD1-OG 3.26Å; D136-L141 HydrophobicContact CB-CD1 4.26Å
137	F	98.1	Very high	98	Very high	20 Å²	20	38 Å²	38	9%	0.088	22%	0.217	C	C	.	.			trans	-129	31.4	173.1	-69.3	-89.2	0	0	0	110.5	H128 F135 L141 D142 L143 L204	H128-F137 HydrophobicContact CB-CZ 4.2Å; H128-F137 AromaticContact CE1-CD1 3.66Å; H128-F137 AromaticContact CE1-CE1 3.68Å; H128-F137 AromaticContact CG-CE1 3.87Å; H128-F137 AromaticContact ND1-CD1 3.51Å; H128-F137 AromaticContact ND1-CE1 3.43Å; H128-F137 WeakPolarHBondContact ND1-CE1 3.46Å; H128-F137 AromaticContact ND1-CZ 3.91Å; F135-F137 HydrophobicContact CB-CD2 4.3Å; F135-F137 HydrophobicContact CB-CE2 4Å; F135-F137 HydrophobicContact CD1-CE2 4.17Å; F135-F137 HydrophobicContact CG-CE2 4.47Å; F137-L141 WeakPolarHBondContact CA-O 3.43Å; F137-D142 WeakPolarHBondContact O-CA 3.48Å; F137-D142 WeakPolarHBondContact O-CB 3.4Å; F137-L143 HydrophobicContact CD1-CB 4.46Å; F137-L204 HydrophobicContact CE1-CD1 3.88Å; F137-L204 HydrophobicContact CZ-CD1 4.09Å
138	S	97.7	Very high	98	Very high	69 Å²	69	40.6 Å²	40.6	48%	0.483	23%	0.231	S	C	.	.	S	Bend	trans	-104.4	163.7	-178.9	75.3	0	0	0	0	111.9	D136 N140 L141	D136-S138 VanDerWaalsContact OD1-CB 3.27Å; D136-S138 WeakPolarHBondContact OD1-CB 3.46Å; D136-S138 PolarHBondContact OD1-N 3.12Å; D136-S138 PolarHBondContact OD1-OG 3.26Å; S138-N140 PolarHBondContact O-N 3.41Å; S138-L141 WeakPolarHBondContact O-CA 3.38Å; S138-L141 PolarHBondContact O-N 2.88Å
139	G	96.8	Very high	98	Very high	43 Å²	43	42.1 Å²	42.1	44%	0.443	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	55.3	-116.2	172.7	0	0	0	0	0	113.1	R101 L141	R101-G139 WeakPolarHBondContact CD-O 3.37Å; R101-G139 PolarHBondContact NH1-O 2.82Å; G139-L141 VanDerWaalsContact C-N 3.25Å; G139-L141 PolarHBondContact O-N 3.24Å
140	N	97.1	Very high	98	Very high	51 Å²	51	42 Å²	42	27%	0.273	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-78.3	-6.4	180	-144.6	71.6	0	0	0	113.9	Y96 V99 P100 R101 W104 S138	Y96-N140 WeakPolarHBondContact CD2-O 3.28Å; Y96-N140 PolarHBondContact O-ND2 2.91Å; V99-N140 PolarHBondContact O-ND2 2.85Å; V99-N140 VanDerWaalsContact O-ND2 3.13Å; V99-N140 PolarHBondContact O-OD1 3.25Å; P100-N140 WeakPolarHBondContact CA-OD1 3.44Å; R101-N140 PolarHBondContact N-OD1 2.74Å; W104-N140 WeakPolarHBondContact CZ2-O 3.5Å; S138-N140 PolarHBondContact O-N 3.41Å
141	L	98.6	Very high	98.1	Very high	22 Å²	22	40 Å²	40	12%	0.115	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-108.3	8.1	178.3	-61.8	-179.4	0	0	0	112.5	Y96 F97 L127 H128 D136 F137 S138 G139 L143	Y96-L141 HydrophobicContact CE2-CD2 4.41Å; F97-L141 HydrophobicContact CB-CD2 4.28Å; L127-L141 HydrophobicContact CB-CD1 3.97Å; L127-L141 HydrophobicContact CB-CD2 3.8Å; L127-L141 HydrophobicContact CD1-CD2 4.01Å; L127-L141 WeakPolarHBondContact O-CD1 3.31Å; H128-L141 PolarHBondContact CE1-O 2.97Å; D136-L141 HydrophobicContact CB-CD1 4.26Å; F137-L141 WeakPolarHBondContact CA-O 3.43Å; S138-L141 WeakPolarHBondContact O-CA 3.38Å; S138-L141 PolarHBondContact O-N 2.88Å; G139-L141 VanDerWaalsContact C-N 3.25Å; G139-L141 PolarHBondContact O-N 3.24Å; L141-L143 VanDerWaalsContact C-N 3.32Å; L141-L143 PolarHBondContact O-N 2.91Å
142	D	98.8	Very high	98.1	Very high	30 Å²	30	43.6 Å²	43.6	16%	0.16	24%	0.243	C	C	.	.			trans	-77.4	87	174.8	173.4	3.9	0	0	0	110.2	R101 F137 E144 A145 F146	R101-D142 IonicContact CZ-OD2 2.93Å; R101-D142 VanDerWaalsContact CZ-OD2 3.29Å; R101-D142 VanDerWaalsContact NH1-CG 3.31Å; R101-D142 IonicContact NH1-OD2 3.52Å; R101-D142 PolarHBondContact NH1-OD2 2.92Å; R101-D142 IonicContact NH2-OD2 4Å; R101-D142 PolarHBondContact NH2-OD2 3.25Å; F137-D142 WeakPolarHBondContact O-CA 3.48Å; F137-D142 WeakPolarHBondContact O-CB 3.4Å; D142-E144 VanDerWaalsContact C-N 3.31Å; D142-E144 PolarHBondContact O-N 3.32Å; D142-E144 PolarHBondContact OD1-N 3.32Å; D142-A145 HydrophobicContact CB-CB 4.43Å; D142-A145 WeakPolarHBondContact OD1-CB 3.47Å; D142-A145 PolarHBondContact OD1-N 3.17Å; D142-A145 WeakPolarHBondContact OD2-CB 3.28Å; D142-F146 PolarHBondContact O-N 2.91Å
143	L	98.8	Very high	98.2	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-59.2	-41.4	178.6	172.9	64.1	0	0	0	111.6	Y96 V123 F137 L141 A145 F146 V147 L159 L204	Y96-L143 HydrophobicContact CD1-CD1 4.28Å; Y96-L143 HydrophobicContact CE1-CD1 3.64Å; V123-L143 HydrophobicContact CG1-CD2 4.38Å; V123-L143 HydrophobicContact CG2-CD1 4.26Å; V123-L143 HydrophobicContact CG2-CD2 3.88Å; F137-L143 HydrophobicContact CD1-CB 4.46Å; L141-L143 VanDerWaalsContact C-N 3.32Å; L141-L143 PolarHBondContact O-N 2.91Å; L143-A145 PolarHBondContact O-N 3.49Å; L143-F146 PolarHBondContact O-N 3.19Å; L143-V147 HydrophobicContact CD1-CG2 3.88Å; L143-V147 HydrophobicContact CG-CG2 4.34Å; L143-V147 WeakPolarHBondContact O-CB 3.18Å; L143-V147 VanDerWaalsContact O-CG2 3.32Å; L143-V147 WeakPolarHBondContact O-CG2 3.46Å; L143-V147 PolarHBondContact O-N 3.34Å; L143-L159 HydrophobicContact CD1-CD1 4.03Å; L143-L204 HydrophobicContact CD2-CD1 3.72Å
144	E	98.7	Very high	98.2	Very high	50 Å²	50	37.6 Å²	37.6	23%	0.234	21%	0.208	C	C	.	.	H	α-helix	trans	-60.6	-48.5	-177.5	-70	160.1	95	0	0	110.2	D142 F146 V147 L148 R207 L211	D142-E144 VanDerWaalsContact C-N 3.31Å; D142-E144 PolarHBondContact O-N 3.32Å; D142-E144 PolarHBondContact OD1-N 3.32Å; E144-F146 PolarHBondContact O-N 3.02Å; E144-V147 PolarHBondContact O-N 3.46Å; E144-L148 WeakPolarHBondContact O-CB 3.46Å; E144-L148 VanDerWaalsContact O-CG 3.26Å; E144-L148 WeakPolarHBondContact O-CG 3.38Å; E144-L148 PolarHBondContact O-N 3.28Å; E144-R207 HydrophobicContact CG-CB 4.16Å; E144-R207 WeakPolarHBondContact OE2-CD 3.29Å; E144-R207 IonicContact OE2-CZ 3.64Å; E144-R207 IonicContact OE2-NH1 2.63Å; E144-R207 PolarHBondContact OE2-NH1 2.75Å; E144-L211 HydrophobicContact CG-CD1 4.1Å
145	A	98.8	Very high	98.2	Very high	21 Å²	21	32.6 Å²	32.6	17%	0.174	19%	0.186	C	C	.	.	H	α-helix	trans	-64.8	-37.8	177.5	0	0	0	0	0	113.2	W104 D142 L143 M149	W104-A145 HydrophobicContact CZ3-CB 4.48Å; D142-A145 HydrophobicContact CB-CB 4.43Å; D142-A145 WeakPolarHBondContact OD1-CB 3.47Å; D142-A145 PolarHBondContact OD1-N 3.17Å; D142-A145 WeakPolarHBondContact OD2-CB 3.28Å; L143-A145 PolarHBondContact O-N 3.49Å; A145-M149 WeakPolarHBondContact O-CB 3.34Å; A145-M149 PolarHBondContact O-N 3.06Å
146	F	98.9	Very high	98.2	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-62.8	-45.9	175.7	179.4	-102.2	0	0	0	111.6	I94 Y96 W104 L108 V119 T121 D142 L143 E144 M149 A150	I94-F146 HydrophobicContact CB-CZ 4.46Å; I94-F146 HydrophobicContact CG2-CZ 4.3Å; Y96-F146 HydrophobicContact CD1-CD1 4.11Å; Y96-F146 HydrophobicContact CD1-CE1 4.48Å; Y96-F146 HydrophobicContact CD1-CG 4.47Å; Y96-F146 HydrophobicContact CG-CB 4.48Å; Y96-F146 HydrophobicContact CG-CD1 4.37Å; Y96-F146 HydrophobicContact CG-CG 4.28Å; W104-F146 HydrophobicContact CB-CD2 4.03Å; W104-F146 HydrophobicContact CB-CE2 4.26Å; W104-F146 HydrophobicContact CD2-CB 4.41Å; W104-F146 AromaticContact CD2-CD2 3.67Å; W104-F146 HydrophobicContact CD2-CD2 3.67Å; W104-F146 HydrophobicContact CD2-CE2 4.49Å; W104-F146 HydrophobicContact CE3-CB 3.91Å; W104-F146 AromaticContact CE3-CD2 3.92Å; W104-F146 HydrophobicContact CE3-CD2 3.92Å; W104-F146 HydrophobicContact CE3-CG 4.43Å; W104-F146 AromaticContact CG-CD2 3.73Å; W104-F146 HydrophobicContact CG-CD2 3.73Å; W104-F146 HydrophobicContact CG-CE2 4.13Å; W104-F146 HydrophobicContact CH2-CB 4.33Å; W104-F146 HydrophobicContact CZ3-CB 3.85Å; L108-F146 HydrophobicContact CD1-CD2 4.33Å; L108-F146 HydrophobicContact CD1-CE2 3.98Å; L108-F146 HydrophobicContact CD1-CZ 4.47Å; L108-F146 HydrophobicContact CD2-CE2 4.27Å; L108-F146 HydrophobicContact CD2-CZ 4.06Å; L108-F146 HydrophobicContact CG-CE2 4.23Å; V119-F146 HydrophobicContact CG2-CZ 4.42Å; T121-F146 HydrophobicContact CG2-CD1 4.3Å; T121-F146 HydrophobicContact CG2-CE1 4Å; D142-F146 PolarHBondContact O-N 2.91Å; L143-F146 PolarHBondContact O-N 3.19Å; E144-F146 PolarHBondContact O-N 3.02Å; F146-M149 PolarHBondContact O-N 3.03Å; F146-A150 PolarHBondContact O-N 2.91Å
147	V	98.9	Very high	98.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.9	-44.9	179.5	170.8	0	0	0	0	111.2	L143 E144 M149 A150 A151 V157 L211 P218 V219	L143-V147 HydrophobicContact CD1-CG2 3.88Å; L143-V147 HydrophobicContact CG-CG2 4.34Å; L143-V147 WeakPolarHBondContact O-CB 3.18Å; L143-V147 VanDerWaalsContact O-CG2 3.32Å; L143-V147 WeakPolarHBondContact O-CG2 3.46Å; L143-V147 PolarHBondContact O-N 3.34Å; E144-V147 PolarHBondContact O-N 3.46Å; V147-M149 VanDerWaalsContact C-N 3.33Å; V147-M149 PolarHBondContact O-N 3.26Å; V147-A150 WeakPolarHBondContact O-CB 3.49Å; V147-A150 PolarHBondContact O-N 3.07Å; V147-A151 PolarHBondContact O-N 3.33Å; V147-A151 VanDerWaalsContact O-N 3.13Å; V147-V157 HydrophobicContact CG1-CG2 4.16Å; V147-V157 HydrophobicContact CG2-CG1 4.42Å; V147-L211 HydrophobicContact CB-CD1 4Å; V147-L211 HydrophobicContact CG1-CB 4.02Å; V147-L211 HydrophobicContact CG1-CD1 3.89Å; V147-L211 HydrophobicContact CG1-CD2 4.15Å; V147-L211 HydrophobicContact CG1-CG 4.24Å; V147-L211 HydrophobicContact CG2-CD1 4.31Å; V147-P218 HydrophobicContact CG1-CG 3.43Å; V147-P218 VanDerWaalsContact CG1-CG 3.43Å; V147-P218 WeakPolarHBondContact O-CG 3.23Å; V147-V219 HydrophobicContact CG1-CG2 3.92Å
148	L	98.6	Very high	98.3	Very high	85 Å²	85	26.6 Å²	26.6	45%	0.445	16%	0.158	S	C	.	.	H	α-helix	trans	-64.6	-37.1	176.6	-69.8	171.4	0	0	0	112	E144 A150 A151 E152 L211	E144-L148 WeakPolarHBondContact O-CB 3.46Å; E144-L148 VanDerWaalsContact O-CG 3.26Å; E144-L148 WeakPolarHBondContact O-CG 3.38Å; E144-L148 PolarHBondContact O-N 3.28Å; L148-A150 VanDerWaalsContact C-N 3.32Å; L148-A150 PolarHBondContact O-N 2.97Å; L148-A151 WeakPolarHBondContact O-CA 3.29Å; L148-A151 VanDerWaalsContact O-CB 3.24Å; L148-A151 WeakPolarHBondContact O-CB 3.38Å; L148-A151 PolarHBondContact O-N 2.89Å; L148-A151 VanDerWaalsContact O-N 3.07Å; L148-E152 PolarHBondContact O-N 3.04Å; L148-L211 HydrophobicContact CD1-CD2 4.42Å; L148-L211 HydrophobicContact CD2-CD2 3.83Å; L148-L211 HydrophobicContact CG-CD2 3.86Å
149	M	98.8	Very high	98.4	Very high	32 Å²	32	23.4 Å²	23.4	16%	0.158	14%	0.135	C	C	.	.	H	α-helix	trans	-63.6	-37.6	174.1	-174.3	179.5	-61.3	0	0	112.2	W104 R105 L108 A145 F146 V147 A151 E152 I153	W104-M149 HydrophobicContact CB-SD 3.8Å; R105-M149 VanDerWaalsContact CA-SD 3.51Å; R105-M149 HydrophobicContact CB-SD 3.61Å; R105-M149 HydrophobicContact CG-SD 4.24Å; R105-M149 PolarHBondContact N-SD 3.39Å; L108-M149 HydrophobicContact CD1-CB 4.32Å; L108-M149 HydrophobicContact CD1-CG 4Å; L108-M149 HydrophobicContact CD1-SD 4.21Å; A145-M149 WeakPolarHBondContact O-CB 3.34Å; A145-M149 PolarHBondContact O-N 3.06Å; F146-M149 PolarHBondContact O-N 3.03Å; V147-M149 VanDerWaalsContact C-N 3.33Å; V147-M149 PolarHBondContact O-N 3.26Å; M149-A151 VanDerWaalsContact C-N 3.29Å; M149-A151 PolarHBondContact O-N 2.9Å; M149-E152 PolarHBondContact O-N 2.62Å; M149-I153 HydrophobicContact CG-CD1 4.08Å; M149-I153 WeakPolarHBondContact O-CD1 3.49Å; M149-I153 WeakPolarHBondContact O-CG1 3.21Å; M149-I153 PolarHBondContact O-N 2.63Å; M149-I153 VanDerWaalsContact O-N 3.17Å
150	A	98.8	Very high	98.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.1	-40.5	171.5	0	0	0	0	0	111.3	L108 V119 F146 V147 L148 I153 G154 L155 V157	L108-A150 HydrophobicContact CD1-CB 4.29Å; L108-A150 HydrophobicContact CD2-CB 4.33Å; V119-A150 HydrophobicContact CG1-CB 3.68Å; F146-A150 PolarHBondContact O-N 2.91Å; V147-A150 WeakPolarHBondContact O-CB 3.49Å; V147-A150 PolarHBondContact O-N 3.07Å; L148-A150 VanDerWaalsContact C-N 3.32Å; L148-A150 PolarHBondContact O-N 2.97Å; A150-I153 PolarHBondContact O-N 3.14Å; A150-G154 PolarHBondContact O-N 3.07Å; A150-L155 CarbonylContact C-O 3.55Å; A150-L155 HydrophobicContact CB-CB 4.23Å; A150-L155 WeakPolarHBondContact O-CB 3.37Å; A150-L155 PolarHBondContact O-N 3.01Å; A150-V157 HydrophobicContact CB-CG2 3.93Å
151	A	98	Very high	98.5	Very high	10 Å²	10	19 Å²	19	8%	0.083	10%	0.101	C	C	.	.	H	α-helix	trans	-60.3	-46.6	175.3	0	0	0	0	0	112.4	P58 V147 L148 M149 I153 G154 P218	P58-A151 HydrophobicContact CB-CB 4.01Å; P58-A151 HydrophobicContact CG-CB 4.48Å; V147-A151 PolarHBondContact O-N 3.33Å; V147-A151 VanDerWaalsContact O-N 3.13Å; L148-A151 WeakPolarHBondContact O-CA 3.29Å; L148-A151 VanDerWaalsContact O-CB 3.24Å; L148-A151 WeakPolarHBondContact O-CB 3.38Å; L148-A151 PolarHBondContact O-N 2.89Å; L148-A151 VanDerWaalsContact O-N 3.07Å; M149-A151 VanDerWaalsContact C-N 3.29Å; M149-A151 PolarHBondContact O-N 2.9Å; A151-I153 VanDerWaalsContact C-N 3.25Å; A151-I153 PolarHBondContact O-N 2.77Å; A151-G154 PolarHBondContact O-N 2.85Å; A151-P218 HydrophobicContact CB-CB 3.76Å; A151-P218 HydrophobicContact CB-CG 3.82Å
152	E	97.8	Very high	98.4	Very high	112 Å²	112	18.2 Å²	18.2	52%	0.523	10%	0.098	S	C	.	.	H	α-helix	trans	-58.1	-37.2	177.7	-71	176.6	-170.5	0	0	112.9	R105 L148 M149 G154	R105-E152 IonicContact NH1-OE2 3.13Å; R105-E152 PolarHBondContact NH1-OE2 2.89Å; L148-E152 PolarHBondContact O-N 3.04Å; M149-E152 PolarHBondContact O-N 2.62Å; E152-G154 PolarHBondContact O-N 3.07Å
153	I	97.6	Very high	98.4	Very high	20 Å²	20	16.8 Å²	16.8	10%	0.103	9%	0.09	C	C	.	.	H	α-helix	trans	-77.6	-12.4	179.7	-68.3	167.1	0	0	0	111.6	R105 L108 L109 R112 M149 A150 A151 L155	R105-I153 HydrophobicContact CG-CD1 4.14Å; L108-I153 HydrophobicContact CB-CD1 3.33Å; L108-I153 HydrophobicContact CD1-CD1 4.02Å; L108-I153 HydrophobicContact CG-CD1 4.33Å; L109-I153 HydrophobicContact CD2-CG1 4.23Å; L109-I153 HydrophobicContact CD2-CG2 4.16Å; L109-I153 HydrophobicContact CG-CD1 4.21Å; L109-I153 HydrophobicContact CG-CG1 4.44Å; R112-I153 HydrophobicContact CB-CG2 3.71Å; R112-I153 HydrophobicContact CG-CG2 4.01Å; M149-I153 HydrophobicContact CG-CD1 4.08Å; M149-I153 WeakPolarHBondContact O-CD1 3.49Å; M149-I153 WeakPolarHBondContact O-CG1 3.21Å; M149-I153 PolarHBondContact O-N 2.63Å; M149-I153 VanDerWaalsContact O-N 3.17Å; A150-I153 PolarHBondContact O-N 3.14Å; A151-I153 VanDerWaalsContact C-N 3.25Å; A151-I153 PolarHBondContact O-N 2.77Å; I153-L155 HydrophobicContact CG2-CD1 4Å; I153-L155 HydrophobicContact CG2-CG 4.25Å
154	G	96.8	Very high	98.4	Very high	9 Å²	9	16.8 Å²	16.8	9%	0.093	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	30.3	-179.6	0	0	0	0	0	113.5	A150 A151 E152	A150-G154 PolarHBondContact O-N 3.07Å; A151-G154 PolarHBondContact O-N 2.85Å; E152-G154 PolarHBondContact O-N 3.07Å
155	L	98.4	Very high	98.4	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.079	C	C	.	.			trans	-106.9	135.2	175.6	-66.1	164.4	0	0	0	110.7	P58 L108 L111 R112 V119 A150 I153	P58-L155 VanDerWaalsContact CG-O 3.32Å; P58-L155 WeakPolarHBondContact CG-O 3.26Å; L108-L155 HydrophobicContact CB-CD1 4.18Å; L108-L155 HydrophobicContact CD2-CD1 3.91Å; L111-L155 HydrophobicContact CD2-CD1 3.98Å; L111-L155 HydrophobicContact CD2-CD2 4.35Å; L111-L155 HydrophobicContact CG-CD1 4.46Å; L111-L155 HydrophobicContact CG-CD2 4.43Å; R112-L155 HydrophobicContact CB-CD1 4.45Å; R112-L155 HydrophobicContact CB-CD2 4.23Å; R112-L155 HydrophobicContact CB-CG 4.36Å; V119-L155 HydrophobicContact CG1-CB 4.47Å; A150-L155 CarbonylContact C-O 3.55Å; A150-L155 HydrophobicContact CB-CB 4.23Å; A150-L155 WeakPolarHBondContact O-CB 3.37Å; A150-L155 PolarHBondContact O-N 3.01Å; I153-L155 HydrophobicContact CG2-CD1 4Å; I153-L155 HydrophobicContact CG2-CG 4.25Å
156	W	98.8	Very high	98.4	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.008	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	164.8	164.4	-60.1	107.2	0	0	0	111	L56 T57 P58 L61 L82 F87 N117 T118 V119 Y213 I220	L56-W156 VanDerWaalsContact O-CE2 3.27Å; L56-W156 VanDerWaalsContact O-CZ2 3.3Å; L56-W156 WeakPolarHBondContact O-CZ2 3.49Å; L56-W156 PolarHBondContact O-NE1 2.87Å; T57-W156 VanDerWaalsContact C-CZ2 3.44Å; P58-W156 VanDerWaalsContact CA-CH2 3.42Å; P58-W156 HydrophobicContact CB-CE3 4.35Å; P58-W156 HydrophobicContact CB-CH2 4.21Å; P58-W156 HydrophobicContact CB-CZ3 3.96Å; P58-W156 HydrophobicContact CG-CD2 3.94Å; P58-W156 HydrophobicContact CG-CE3 3.71Å; P58-W156 HydrophobicContact CG-CH2 4.12Å; P58-W156 HydrophobicContact CG-CZ2 4.32Å; P58-W156 HydrophobicContact CG-CZ3 3.8Å; L61-W156 HydrophobicContact CB-CH2 4.37Å; L61-W156 HydrophobicContact CD2-CH2 4.01Å; L61-W156 HydrophobicContact CD2-CZ2 4.02Å; L82-W156 HydrophobicContact CD2-CD2 4.26Å; L82-W156 HydrophobicContact CD2-CH2 4.46Å; L82-W156 HydrophobicContact CD2-CZ2 3.67Å; F87-W156 AromaticContact CZ-CD1 3.64Å; N117-W156 PolarHBondContact O-N 3.4Å; T118-W156 CarbonylContact C-O 3.53Å; T118-W156 VanDerWaalsContact CA-O 3.29Å; T118-W156 WeakPolarHBondContact CA-O 3.4Å; T118-W156 HydrophobicContact CG2-CB 4.26Å; V119-W156 PolarHBondContact N-O 2.79Å; W156-Y213 HydrophobicContact CE3-CD2 4.15Å; W156-Y213 AromaticContact CH2-CD2 3.95Å; W156-Y213 HydrophobicContact CH2-CD2 3.95Å; W156-Y213 AromaticContact CH2-CE2 3.54Å; W156-Y213 HydrophobicContact CH2-CE2 3.54Å; W156-Y213 HydrophobicContact CZ2-CE2 4.42Å; W156-Y213 AromaticContact CZ3-CD2 3.48Å; W156-Y213 HydrophobicContact CZ3-CD2 3.48Å; W156-Y213 VanDerWaalsContact CZ3-CD2 3.48Å; W156-Y213 AromaticContact CZ3-CE2 3.6Å; W156-Y213 HydrophobicContact CZ3-CE2 3.6Å; W156-I220 HydrophobicContact CB-CD1 3.63Å; W156-I220 HydrophobicContact CB-CG1 3.98Å; W156-I220 HydrophobicContact CB-CG2 4.19Å; W156-I220 HydrophobicContact CD2-CG2 3.83Å; W156-I220 HydrophobicContact CE3-CG2 3.49Å; W156-I220 VanDerWaalsContact CE3-CG2 3.49Å; W156-I220 HydrophobicContact CG-CD1 4.09Å; W156-I220 HydrophobicContact CG-CG2 4.15Å; W156-I220 HydrophobicContact CZ3-CG2 4.2Å
157	V	98.9	Very high	98.3	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.006	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.2	-179.4	-179.2	0	0	0	0	111.2	V119 V147 A150 P218 V219 I220	V119-V157 HydrophobicContact CG1-CG2 3.77Å; V119-V157 WeakPolarHBondContact O-CA 3.29Å; V147-V157 HydrophobicContact CG1-CG2 4.16Å; V147-V157 HydrophobicContact CG2-CG1 4.42Å; A150-V157 HydrophobicContact CB-CG2 3.93Å; V157-P218 HydrophobicContact CG2-CB 4.1Å; V157-P218 HydrophobicContact CG2-CG 3.89Å; V157-P218 PolarHBondContact N-O 3.19Å; V157-V219 HydrophobicContact CB-CG2 4.08Å; V157-V219 HydrophobicContact CG1-CG2 4.13Å; V157-V219 CarbonylContact O-C 3.54Å; V157-V219 WeakPolarHBondContact O-CA 3.48Å; V157-I220 WeakPolarHBondContact O-CG1 3.32Å; V157-I220 PolarHBondContact O-N 3.07Å
158	I	98.9	Very high	98.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	114.8	159.6	-62.2	178.7	0	0	0	107.3	I89 T118 V119 T120 T121 I220 A221 L255 M300	I89-I158 HydrophobicContact CD1-CD1 4.33Å; I89-I158 HydrophobicContact CG2-CD1 4.09Å; T118-I158 HydrophobicContact CG2-CD1 4.12Å; T118-I158 HydrophobicContact CG2-CG1 3.8Å; V119-I158 PolarHBondContact O-N 3.28Å; T120-I158 WeakPolarHBondContact CA-O 3.37Å; T120-I158 HydrophobicContact CG2-CB 4.22Å; T120-I158 HydrophobicContact CG2-CG2 4.28Å; T121-I158 PolarHBondContact N-O 3.21Å; I158-I220 HydrophobicContact CG1-CG1 4.42Å; I158-A221 WeakPolarHBondContact CA-O 3.3Å; I158-A221 HydrophobicContact CG1-CB 4.19Å; I158-A221 HydrophobicContact CG2-CB 4.36Å; I158-L255 HydrophobicContact CG2-CD2 4.26Å; I158-M300 HydrophobicContact CD1-CE 4.19Å; I158-M300 HydrophobicContact CG2-CE 4.37Å; I158-M300 HydrophobicContact CG2-SD 4.25Å
159	L	98.9	Very high	98.2	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	133.2	-178.2	-169.5	67	0	0	0	110.4	T121 V123 L143 P161 V208 V219 A221 V222 Q223	T121-L159 HydrophobicContact CG2-CD1 3.98Å; V123-L159 HydrophobicContact CG2-CD1 3.74Å; V123-L159 HydrophobicContact CG2-CG 4.27Å; L143-L159 HydrophobicContact CD1-CD1 4.03Å; L159-P161 VanDerWaalsContact O-CD 3.27Å; L159-P161 WeakPolarHBondContact O-CD 3.44Å; L159-V208 HydrophobicContact CD2-CB 4.35Å; L159-V208 HydrophobicContact CD2-CG1 3.73Å; L159-V208 HydrophobicContact CD2-CG2 3.59Å; L159-V219 HydrophobicContact CB-CG1 4.11Å; L159-A221 PolarHBondContact N-O 3.17Å; L159-V222 CarbonylContact O-C 3.54Å; L159-V222 VanDerWaalsContact O-CA 3.28Å; L159-V222 WeakPolarHBondContact O-CA 3.27Å; L159-Q223 PolarHBondContact O-N 3.11Å
160	R	98.9	Very high	98.2	Very high	3 Å²	3	9.1 Å²	9.1	1%	0.011	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	78.8	178.8	-55.5	175.8	72.7	-178.6	4.9	109.5	T120 T121 Y122 V123 G162 Q223 N226 S257 E301	T120-R160 VanDerWaalsContact CG2-CD 3.45Å; T120-R160 HydrophobicContact CG2-CG 4.01Å; T121-R160 PolarHBondContact O-N 2.64Å; Y122-R160 VanDerWaalsContact CA-O 3.29Å; Y122-R160 WeakPolarHBondContact CA-O 3.4Å; Y122-R160 HydrophobicContact CD1-CB 3.3Å; Y122-R160 HydrophobicContact CD1-CG 4.31Å; Y122-R160 WeakPolarHBondContact CD1-O 3.49Å; Y122-R160 HydrophobicContact CE1-CB 3.66Å; Y122-R160 HydrophobicContact CE1-CG 4.35Å; Y122-R160 VanDerWaalsContact CE1-CZ 3.43Å; Y122-R160 VanDerWaalsContact CE1-NE 3.28Å; Y122-R160 HydrophobicContact CG-CB 4.22Å; Y122-R160 PolarHBondContact OH-NH1 3.02Å; Y122-R160 VanDerWaalsContact OH-NH1 3.16Å; Y122-R160 PolarHBondContact OH-NH2 3.42Å; V123-R160 PolarHBondContact N-O 3.44Å; V123-R160 VanDerWaalsContact N-O 3.16Å; R160-G162 PolarHBondContact O-N 3.17Å; R160-G162 VanDerWaalsContact O-N 3.16Å; R160-Q223 HydrophobicContact CB-CB 4.12Å; R160-Q223 HydrophobicContact CG-CB 3.8Å; R160-Q223 VanDerWaalsContact CZ-OE1 3.31Å; R160-Q223 VanDerWaalsContact NE-CD 3.33Å; R160-N226 PolarHBondContact NH2-OD1 2.85Å; R160-S257 PolarHBondContact NH2-OG 3.43Å; R160-S257 VanDerWaalsContact NH2-OG 3.14Å; R160-E301 IonicContact CZ-OE1 3.52Å; R160-E301 IonicContact NH1-OE1 2.79Å; R160-E301 PolarHBondContact NH1-OE1 3.43Å; R160-E301 IonicContact NH2-OE1 2.97Å; R160-E301 PolarHBondContact NH2-OE1 2.88Å
161	P	98.3	Very high	98.2	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.049	C	C	.	.			trans	-71	-7.3	-166.9	28.4	-38.4	0	0	0	116	V123 L159 Y200 L204 V222 Q223	V123-P161 HydrophobicContact CG2-CB 4.5Å; L159-P161 VanDerWaalsContact O-CD 3.27Å; L159-P161 WeakPolarHBondContact O-CD 3.44Å; P161-Y200 PolarHBondContact O-OH 2.85Å; P161-L204 HydrophobicContact CB-CD2 3.66Å; P161-V222 HydrophobicContact CG-CG1 3.66Å; P161-Q223 VanDerWaalsContact CD-O 3.3Å; P161-Q223 WeakPolarHBondContact CD-O 3.48Å
162	G	97.1	Very high	98.3	Very high	4 Å²	4	8.7 Å²	8.7	4%	0.041	5%	0.045	C	C	.	.			trans	88.2	-143.6	-175.7	0	0	0	0	0	112.3	R160 V224	R160-G162 PolarHBondContact O-N 3.17Å; R160-G162 VanDerWaalsContact O-N 3.16Å; G162-V224 VanDerWaalsContact O-O 3.14Å
163	P	98.3	Very high	98.3	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.02	C	C	.	.	S	Bend	cis	-75.4	-26.5	20.3	28.9	-36.5	0	0	0	114.5	W125 L174 F193 V197 Y200 Y237 L241	W125-P163 HydrophobicContact CE3-CB 3.62Å; W125-P163 HydrophobicContact CZ3-CB 3.75Å; P163-L174 HydrophobicContact CB-CD2 4.36Å; P163-L174 WeakPolarHBondContact O-CD2 3.29Å; P163-F193 HydrophobicContact CG-CZ 4.38Å; P163-V197 HydrophobicContact CB-CG1 4.25Å; P163-V197 HydrophobicContact CB-CG2 3.92Å; P163-V197 HydrophobicContact CG-CG1 3.94Å; P163-V197 HydrophobicContact CG-CG2 3.7Å; P163-Y200 HydrophobicContact CB-CD1 4.26Å; P163-Y200 HydrophobicContact CB-CE1 4.35Å; P163-Y237 WeakPolarHBondContact CG-OH 3.43Å; P163-L241 HydrophobicContact CG-CD2 4.31Å
164	Y	98.8	Very high	98.4	Very high	2 Å²	2	2.4 Å²	2.4	1%	0.008	2%	0.015	C	C	.	.			trans	-97.8	134.7	170.5	166	-88.6	0	0	0	109.8	C166 L174 R187 N226 N516 I521	Y164-C166 HydrophobicContact CE1-CB 3.77Å; Y164-C166 WeakPolarHBondContact OH-CB 3.45Å; Y164-L174 HydrophobicContact CD2-CD1 4.1Å; Y164-L174 HydrophobicContact CD2-CG 4.26Å; Y164-R187 HydrophobicContact CG-CG 4.3Å; Y164-N226 HydrophobicContact CD1-CB 4.14Å; Y164-N226 HydrophobicContact CE1-CB 4.41Å; Y164-N226 WeakPolarHBondContact O-CB 3.38Å; Y164-N516 VanDerWaalsContact CE2-O 3.23Å; Y164-N516 WeakPolarHBondContact CE2-O 3.45Å; Y164-N516 PolarHBondContact OH-O 3.17Å; Y164-I521 HydrophobicContact CE2-CD1 4.38Å
165	I	98.8	Very high	98.4	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.011	C	C	.	.			trans	-121.9	-6.5	-175.5	62.4	165.5	0	0	0	113.8	F97 Y122 P124 S167 M169 G172 N226	F97-I165 HydrophobicContact CZ-CD1 4.25Å; Y122-I165 HydrophobicContact CD1-CB 3.51Å; Y122-I165 HydrophobicContact CD1-CG2 3.51Å; Y122-I165 HydrophobicContact CD2-CB 4.29Å; Y122-I165 HydrophobicContact CE1-CB 3.92Å; Y122-I165 HydrophobicContact CE1-CG2 4.2Å; Y122-I165 HydrophobicContact CG-CB 3.72Å; Y122-I165 HydrophobicContact CG-CD1 4.22Å; Y122-I165 HydrophobicContact CG-CG2 3.96Å; Y122-I165 VanDerWaalsContact CZ-O 3.3Å; Y122-I165 PolarHBondContact OH-O 3.18Å; P124-I165 HydrophobicContact CB-CD1 4.1Å; I165-S167 PolarHBondContact O-N 3.34Å; I165-M169 HydrophobicContact CD1-SD 4.19Å; I165-G172 VanDerWaalsContact CG1-O 3.26Å; I165-G172 WeakPolarHBondContact CG1-O 3.36Å; I165-G172 PolarHBondContact N-O 3.5Å; I165-N226 PolarHBondContact O-ND2 2.71Å
166	C	98.1	Very high	98.4	Very high	7 Å²	7	2.1 Å²	2.1	5%	0.047	1%	0.012	C	C	.	.			trans	54.6	-96	-169.6	-169.4	0	0	0	0	110.6	Y164 E168 M169 G172	Y164-C166 HydrophobicContact CE1-CB 3.77Å; Y164-C166 WeakPolarHBondContact OH-CB 3.45Å; C166-E168 PolarHBondContact O-N 3.4Å; C166-M169 PolarHBondContact O-N 3.08Å; C166-G172 PolarHBondContact N-O 2.91Å; C166-G172 WeakPolarHBondContact O-CA 3.29Å
167	S	97.3	Very high	98.4	Very high	1 Å²	1	2.1 Å²	2.1	1%	0.007	1%	0.012	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	23.2	170.4	-177.8	0	0	0	0	113.1	H95 R98 I165 M169	H95-S167 PolarHBondContact CE1-OG 3.22Å; H95-S167 VanDerWaalsContact CE1-OG 3.23Å; H95-S167 PolarHBondContact ND1-OG 3.35Å; R98-S167 PolarHBondContact NH1-O 2.89Å; R98-S167 VanDerWaalsContact NH1-O 3.16Å; R98-S167 PolarHBondContact NH1-OG 2.95Å; R98-S167 PolarHBondContact NH2-O 3.19Å; I165-S167 PolarHBondContact O-N 3.34Å; S167-M169 PolarHBondContact O-N 2.74Å; S167-M169 VanDerWaalsContact O-N 3.09Å
168	E	98.3	Very high	98.4	Very high	20 Å²	20	2.1 Å²	2.1	9%	0.093	1%	0.012	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	30.5	-177.6	-74.3	75.3	-101	0	0	113.8	C166 F307 G352 I362 Y366	C166-E168 PolarHBondContact O-N 3.4Å; E168-F307 HydrophobicContact CG-CB 4.19Å; E168-F307 HydrophobicContact CG-CD1 3.34Å; E168-F307 HydrophobicContact CG-CD2 3.88Å; E168-F307 HydrophobicContact CG-CE1 3.48Å; E168-F307 VanDerWaalsContact CG-CE1 3.48Å; E168-F307 HydrophobicContact CG-CE2 4.01Å; E168-F307 HydrophobicContact CG-CG 3.53Å; E168-F307 HydrophobicContact CG-CZ 3.82Å; E168-G352 PolarHBondContact O-N 3.15Å; E168-I362 HydrophobicContact CB-CD1 3.37Å; E168-I362 HydrophobicContact CB-CG2 4.44Å; E168-I362 HydrophobicContact CG-CD1 3.46Å; E168-I362 VanDerWaalsContact CG-CD1 3.46Å; E168-Y366 HydrophobicContact CB-CE2 3.6Å; E168-Y366 HydrophobicContact CG-CE2 4.11Å; E168-Y366 PolarHBondContact OE2-OH 2.9Å
169	M	97.9	Very high	98.4	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.013	C	C	.	.	B	Isolated β-bridge	trans	-110.8	152.6	-173.9	-173.4	175.8	-175.2	0	0	110.5	F97 P124 N126 L127 I165 C166 S167 L171 G172 M350 G352 N516	F97-M169 HydrophobicContact CD2-SD 4.45Å; F97-M169 HydrophobicContact CE2-SD 3.97Å; P124-M169 HydrophobicContact CB-CE 3.69Å; P124-M169 HydrophobicContact CB-SD 3.7Å; N126-M169 WeakPolarHBondContact OD1-CE 3.41Å; L127-M169 HydrophobicContact CD1-CE 3.48Å; L127-M169 VanDerWaalsContact CD1-CE 3.48Å; L127-M169 HydrophobicContact CD2-CE 4.01Å; L127-M169 HydrophobicContact CG-CE 3.47Å; L127-M169 VanDerWaalsContact CG-CE 3.47Å; I165-M169 HydrophobicContact CD1-SD 4.19Å; C166-M169 PolarHBondContact O-N 3.08Å; S167-M169 PolarHBondContact O-N 2.74Å; S167-M169 VanDerWaalsContact O-N 3.09Å; M169-L171 PolarHBondContact O-N 3.33Å; M169-L171 VanDerWaalsContact O-N 3.15Å; M169-G172 WeakPolarHBondContact O-CA 3.28Å; M169-G172 PolarHBondContact O-N 2.87Å; M169-M350 WeakPolarHBondContact CA-O 3.39Å; M169-M350 HydrophobicContact CE-CE 4.23Å; M169-M350 WeakPolarHBondContact CG-O 3.42Å; M169-G352 VanDerWaalsContact C-CA 3.45Å; M169-N516 WeakPolarHBondContact O-CB 3.49Å
170	D	98.6	Very high	98.3	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.021	C	C	.	.	G	3₁₀ helix	trans	-44.4	122.3	178	-171.8	-92.9	0	0	0	112	N126 G172 G173 M350 Y452 R514	N126-D170 PolarHBondContact ND2-O 3.47Å; N126-D170 VanDerWaalsContact ND2-O 3.07Å; D170-G172 PolarHBondContact O-N 3.5Å; D170-G173 PolarHBondContact O-N 3.39Å; D170-M350 PolarHBondContact N-O 2.91Å; D170-Y452 HydrophobicContact CB-CE1 3.95Å; D170-R514 IonicContact OD1-CZ 2.75Å; D170-R514 IonicContact OD1-NH1 3.43Å; D170-R514 PolarHBondContact OD1-NH1 3.26Å; D170-R514 WeakPolarHBondContact OD2-CB 3.3Å; D170-R514 WeakPolarHBondContact OD2-CG 3.27Å; D170-R514 PolarHBondContact OD2-N 3.45Å; D170-R514 IonicContact OD2-NH1 3.87Å; D170-R514 PolarHBondContact OD2-NH1 3.34Å
171	L	98.7	Very high	98	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	53	26.4	-178.8	-157	63.3	0	0	0	114.5	M169 G173 L174 L179 L186 R514 I521 E524	M169-L171 PolarHBondContact O-N 3.33Å; M169-L171 VanDerWaalsContact O-N 3.15Å; L171-G173 PolarHBondContact O-N 3.46Å; L171-L174 HydrophobicContact CB-CB 4.44Å; L171-L174 HydrophobicContact CD2-CB 4.02Å; L171-L174 HydrophobicContact CG-CB 4.06Å; L171-L174 WeakPolarHBondContact O-CB 3.49Å; L171-L174 PolarHBondContact O-N 3.45Å; L171-L179 HydrophobicContact CD1-CD1 4.07Å; L171-L179 HydrophobicContact CD2-CD1 3.7Å; L171-L179 HydrophobicContact CD2-CD2 4.37Å; L171-L179 HydrophobicContact CD2-CG 3.91Å; L171-L186 HydrophobicContact CD1-CD1 4.34Å; L171-L186 HydrophobicContact CD2-CD1 4.38Å; L171-L186 HydrophobicContact CG-CD1 4.45Å; L171-R514 HydrophobicContact CB-CB 3.9Å; L171-R514 HydrophobicContact CD1-CB 4.01Å; L171-I521 HydrophobicContact CD1-CB 4.15Å; L171-E524 HydrophobicContact CD1-CB 3.92Å; L171-E524 HydrophobicContact CD1-CG 4.3Å
172	G	98.4	Very high	97.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	64.9	27.7	-177.8	0	0	0	0	0	113.5	I165 C166 M169 D170	I165-G172 VanDerWaalsContact CG1-O 3.26Å; I165-G172 WeakPolarHBondContact CG1-O 3.36Å; I165-G172 PolarHBondContact N-O 3.5Å; C166-G172 PolarHBondContact N-O 2.91Å; C166-G172 WeakPolarHBondContact O-CA 3.29Å; M169-G172 WeakPolarHBondContact O-CA 3.28Å; M169-G172 PolarHBondContact O-N 2.87Å; D170-G172 PolarHBondContact O-N 3.5Å
173	G	98.6	Very high	97.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	83.9	3.3	-177	0	0	0	0	0	114.6	W125 N126 D170 L171	W125-G173 CarbonylContact C-O 3.58Å; W125-G173 WeakPolarHBondContact CB-O 3.33Å; W125-G173 PolarHBondContact N-O 2.82Å; N126-G173 PolarHBondContact N-O 3.13Å; D170-G173 PolarHBondContact O-N 3.39Å; L171-G173 PolarHBondContact O-N 3.46Å
174	L	98.9	Very high	97.3	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.			trans	-81.7	139.3	174.7	-62.6	176	0	0	0	110.8	W125 N126 P163 Y164 L171 L178 L186 R187 F193	W125-L174 HydrophobicContact CE3-CD2 3.66Å; W125-L174 HydrophobicContact CZ3-CD2 3.89Å; N126-L174 WeakPolarHBondContact CB-O 3.17Å; P163-L174 HydrophobicContact CB-CD2 4.36Å; P163-L174 WeakPolarHBondContact O-CD2 3.29Å; Y164-L174 HydrophobicContact CD2-CD1 4.1Å; Y164-L174 HydrophobicContact CD2-CG 4.26Å; L171-L174 HydrophobicContact CB-CB 4.44Å; L171-L174 HydrophobicContact CD2-CB 4.02Å; L171-L174 HydrophobicContact CG-CB 4.06Å; L171-L174 WeakPolarHBondContact O-CB 3.49Å; L171-L174 PolarHBondContact O-N 3.45Å; L174-L178 HydrophobicContact CB-CD1 4.07Å; L174-L178 HydrophobicContact CD2-CD1 4.45Å; L174-L186 HydrophobicContact CD1-CB 4.18Å; L174-L186 HydrophobicContact CD1-CD1 4Å; L174-L186 HydrophobicContact CD1-CD2 4.3Å; L174-L186 HydrophobicContact CD1-CG 4.41Å; L174-R187 HydrophobicContact CD1-CG 4.42Å; L174-F193 HydrophobicContact CD1-CE2 4.38Å; L174-F193 HydrophobicContact CD2-CE2 4.23Å; L174-F193 HydrophobicContact CD2-CZ 4.33Å
175	P	98.6	Very high	97.3	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.013	12%	0.119	C	C	.	.			trans	-64.3	138.5	176.9	-19.3	27.2	0	0	0	113.2	W125 N126 W177 L178	W125-P175 HydrophobicContact CD2-CG 3.72Å; W125-P175 HydrophobicContact CE3-CG 4.46Å; W125-P175 HydrophobicContact CG-CG 3.71Å; W125-P175 HydrophobicContact CZ2-CG 4.34Å; N126-P175 HydrophobicContact CB-CG 4.5Å; P175-W177 HydrophobicContact CB-CD2 3.93Å; P175-W177 HydrophobicContact CB-CG 4.04Å; P175-W177 HydrophobicContact CB-CZ2 3.85Å; P175-W177 HydrophobicContact CG-CZ2 3.72Å; P175-W177 PolarHBondContact O-N 2.98Å; P175-L178 WeakPolarHBondContact O-CB 3.12Å; P175-L178 WeakPolarHBondContact O-CG 3.1Å; P175-L178 PolarHBondContact O-N 3.33Å; P175-L178 VanDerWaalsContact O-N 3.12Å
176	S	98.1	Very high	97.3	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.007	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-61.6	-28.8	-179.7	57.4	0	0	0	0	113.8	L178 L179 E440 S451	S176-L178 PolarHBondContact O-N 3.17Å; S176-L179 WeakPolarHBondContact O-CB 3.37Å; S176-L179 PolarHBondContact O-N 3.29Å; S176-E440 WeakPolarHBondContact O-CG 3.4Å; S176-S451 WeakPolarHBondContact OG-CA 3.44Å; S176-S451 VanDerWaalsContact OG-CB 3.28Å; S176-S451 WeakPolarHBondContact OG-CB 3.31Å; S176-S451 PolarHBondContact OG-OG 3.32Å
177	W	98.5	Very high	97.3	Very high	2 Å²	2	24 Å²	24	1%	0.008	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-62.7	-14	178	56.4	-109.6	0	0	0	113.1	W125 E129 R132 P175 L179 Q180 A196	W125-W177 HydrophobicContact CH2-CH2 4.44Å; W125-W177 AromaticContact CZ2-CH2 3.73Å; W125-W177 HydrophobicContact CZ2-CH2 3.73Å; W125-W177 HydrophobicContact CZ2-CZ2 4.01Å; E129-W177 HydrophobicContact CG-CZ2 4.17Å; E129-W177 PolarHBondContact O-NE1 3.07Å; R132-W177 HydrophobicContact CB-CD2 4.12Å; R132-W177 HydrophobicContact CB-CG 4.37Å; R132-W177 HydrophobicContact CG-CD2 4.41Å; R132-W177 HydrophobicContact CG-CE3 4.36Å; R132-W177 HydrophobicContact CG-CH2 4.39Å; R132-W177 HydrophobicContact CG-CZ2 4.45Å; R132-W177 HydrophobicContact CG-CZ3 4.35Å; R132-W177 VanDerWaalsContact NH2-CE3 3.31Å; R132-W177 PolarHBondContact NH2-O 3.09Å; P175-W177 HydrophobicContact CB-CD2 3.93Å; P175-W177 HydrophobicContact CB-CG 4.04Å; P175-W177 HydrophobicContact CB-CZ2 3.85Å; P175-W177 HydrophobicContact CG-CZ2 3.72Å; P175-W177 PolarHBondContact O-N 2.98Å; W177-L179 PolarHBondContact O-N 3.36Å; W177-Q180 WeakPolarHBondContact O-CB 3.28Å; W177-Q180 WeakPolarHBondContact O-CG 3.22Å; W177-Q180 PolarHBondContact O-N 3.47Å; W177-Q180 PolarHBondContact O-OE1 3.45Å; W177-A196 HydrophobicContact CH2-CB 3.9Å; W177-A196 HydrophobicContact CZ3-CB 3.96Å
178	L	98.5	Very high	97.4	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-66.8	-23.5	170.1	-70.2	167.5	0	0	0	112.6	W125 L174 P175 S176 Q180 L184 L186 F193 A196	W125-L178 HydrophobicContact CH2-CD1 4.02Å; W125-L178 HydrophobicContact CH2-CD2 4.36Å; W125-L178 HydrophobicContact CZ3-CD1 3.95Å; L174-L178 HydrophobicContact CB-CD1 4.07Å; L174-L178 HydrophobicContact CD2-CD1 4.45Å; P175-L178 WeakPolarHBondContact O-CB 3.12Å; P175-L178 WeakPolarHBondContact O-CG 3.1Å; P175-L178 PolarHBondContact O-N 3.33Å; P175-L178 VanDerWaalsContact O-N 3.12Å; S176-L178 PolarHBondContact O-N 3.17Å; L178-Q180 VanDerWaalsContact C-N 3.3Å; L178-L184 HydrophobicContact CD2-CD1 4.35Å; L178-L186 HydrophobicContact CB-CD2 3.74Å; L178-L186 HydrophobicContact CD1-CD2 4.03Å; L178-L186 HydrophobicContact CG-CD2 4.41Å; L178-F193 HydrophobicContact CD1-CD2 4.38Å; L178-F193 HydrophobicContact CD1-CE2 4.12Å; L178-F193 HydrophobicContact CD2-CD2 4.31Å; L178-A196 HydrophobicContact CD2-CB 3.64Å
179	L	98.2	Very high	97.4	Very high	6 Å²	6	25.9 Å²	25.9	3%	0.031	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-86.5	3.3	-179.8	-58.6	174.2	0	0	0	113.1	L171 S176 W177 L186 E440 E524 Q525	L171-L179 HydrophobicContact CD1-CD1 4.07Å; L171-L179 HydrophobicContact CD2-CD1 3.7Å; L171-L179 HydrophobicContact CD2-CD2 4.37Å; L171-L179 HydrophobicContact CD2-CG 3.91Å; S176-L179 WeakPolarHBondContact O-CB 3.37Å; S176-L179 PolarHBondContact O-N 3.29Å; W177-L179 PolarHBondContact O-N 3.36Å; L179-L186 HydrophobicContact CD2-CD1 3.88Å; L179-E440 HydrophobicContact CB-CG 4.23Å; L179-E524 HydrophobicContact CD1-CB 4.07Å; L179-E524 WeakPolarHBondContact CD1-O 3.18Å; L179-Q525 HydrophobicContact CB-CG 4.02Å; L179-Q525 WeakPolarHBondContact O-CG 3.38Å; L179-Q525 PolarHBondContact O-NE2 3Å
180	Q	97.1	Very high	97.4	Very high	35 Å²	35	28.2 Å²	28.2	16%	0.164	14%	0.142	C	C	.	.	S	Bend	trans	-60.8	-46	177.8	-74.2	-179.1	-46.1	0	0	112.1	W177 L178 P182 E440 N441 G447	W177-Q180 WeakPolarHBondContact O-CB 3.28Å; W177-Q180 WeakPolarHBondContact O-CG 3.22Å; W177-Q180 PolarHBondContact O-N 3.47Å; W177-Q180 PolarHBondContact O-OE1 3.45Å; L178-Q180 VanDerWaalsContact C-N 3.3Å; Q180-P182 WeakPolarHBondContact O-CD 3.47Å; Q180-E440 HydrophobicContact CG-CB 4.18Å; Q180-E440 VanDerWaalsContact CG-O 3.23Å; Q180-E440 WeakPolarHBondContact CG-O 3.36Å; Q180-E440 PolarHBondContact NE2-O 3.13Å; Q180-N441 PolarHBondContact O-ND2 2.88Å; Q180-N441 PolarHBondContact O-OD1 3.13Å; Q180-G447 PolarHBondContact NE2-O 3.2Å
181	D	93.9	Very high	97.3	Very high	62 Å²	62	35.2 Å²	35.2	33%	0.332	17%	0.173	S	C	.	.	S	Bend	trans	-90.2	109.8	170.8	-172.7	-11.6	0	0	0	109.2	R183 L184	D181-R183 PolarHBondContact O-N 3.21Å; D181-R183 VanDerWaalsContact OD1-CB 3.3Å; D181-R183 WeakPolarHBondContact OD1-CB 3.42Å; D181-R183 IonicContact OD1-CZ 2.74Å; D181-R183 PolarHBondContact OD1-N 2.93Å; D181-R183 IonicContact OD1-NE 3.6Å; D181-R183 PolarHBondContact OD1-NE 3.17Å; D181-R183 IonicContact OD1-NH2 3.74Å; D181-R183 IonicContact OD2-CZ 3.87Å; D181-R183 IonicContact OD2-NE 2.9Å; D181-R183 IonicContact OD2-NH2 3.64Å; D181-R183 PolarHBondContact OD2-NH2 2.96Å; D181-L184 HydrophobicContact CB-CB 4.32Å; D181-L184 VanDerWaalsContact O-CB 3.32Å; D181-L184 WeakPolarHBondContact O-CB 3.32Å; D181-L184 PolarHBondContact O-N 2.9Å
182	P	90.1	Very high	97.2	Very high	93 Å²	93	36.7 Å²	36.7	60%	0.604	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-8.9	179.7	28.5	-36	0	0	0	113.5	Q180	Q180-P182 WeakPolarHBondContact O-CD 3.47Å
183	R	93.1	Very high	97.2	Very high	189 Å²	189	36.7 Å²	36.7	71%	0.713	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-8.4	175.6	-54.7	167.7	-61.5	171.8	8.6	112.7	D181 L185	D181-R183 PolarHBondContact O-N 3.21Å; D181-R183 VanDerWaalsContact OD1-CB 3.3Å; D181-R183 WeakPolarHBondContact OD1-CB 3.42Å; D181-R183 IonicContact OD1-CZ 2.74Å; D181-R183 PolarHBondContact OD1-N 2.93Å; D181-R183 IonicContact OD1-NE 3.6Å; D181-R183 PolarHBondContact OD1-NE 3.17Å; D181-R183 IonicContact OD1-NH2 3.74Å; D181-R183 IonicContact OD2-CZ 3.87Å; D181-R183 IonicContact OD2-NE 2.9Å; D181-R183 IonicContact OD2-NH2 3.64Å; D181-R183 PolarHBondContact OD2-NH2 2.96Å; R183-L185 PolarHBondContact O-N 2.72Å
184	L	95.9	Very high	97.2	Very high	21 Å²	21	37.3 Å²	37.3	11%	0.11	19%	0.191	C	C	.	.			trans	-72	122.4	176.4	-173.5	156	0	0	0	109	L178 D181 L186 F193	L178-L184 HydrophobicContact CD2-CD1 4.35Å; D181-L184 HydrophobicContact CB-CB 4.32Å; D181-L184 VanDerWaalsContact O-CB 3.32Å; D181-L184 WeakPolarHBondContact O-CB 3.32Å; D181-L184 PolarHBondContact O-N 2.9Å; L184-L186 HydrophobicContact CD2-CD2 3.51Å; L184-L186 HydrophobicContact CD2-CG 4.27Å; L184-F193 HydrophobicContact CD2-CB 3.82Å; L184-F193 HydrophobicContact CD2-CD2 4.03Å; L184-F193 HydrophobicContact CD2-CG 4.35Å; L184-F193 HydrophobicContact CG-CB 4.25Å
185	L	97.8	Very high	97.2	Very high	70 Å²	70	41.7 Å²	41.7	37%	0.366	21%	0.212	S	C	.	.			trans	-97.8	104.7	179.7	-62.4	177.7	0	0	0	110.8	R183 T188 N190 W519	R183-L185 PolarHBondContact O-N 2.72Å; L185-T188 HydrophobicContact CB-CG2 4.02Å; L185-T188 WeakPolarHBondContact CB-OG1 3.28Å; L185-T188 PolarHBondContact O-OG1 3.01Å; L185-N190 HydrophobicContact CB-CB 4.08Å; L185-W519 HydrophobicContact CD2-CH2 4.29Å; L185-W519 HydrophobicContact CD2-CZ2 4.4Å
186	L	98.6	Very high	97.2	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	144.2	176.7	-54.7	176.4	0	0	0	110.8	L171 L174 L178 L179 L184 T188 F193 F231 I521 Q522	L171-L186 HydrophobicContact CD1-CD1 4.34Å; L171-L186 HydrophobicContact CD2-CD1 4.38Å; L171-L186 HydrophobicContact CG-CD1 4.45Å; L174-L186 HydrophobicContact CD1-CB 4.18Å; L174-L186 HydrophobicContact CD1-CD1 4Å; L174-L186 HydrophobicContact CD1-CD2 4.3Å; L174-L186 HydrophobicContact CD1-CG 4.41Å; L178-L186 HydrophobicContact CB-CD2 3.74Å; L178-L186 HydrophobicContact CD1-CD2 4.03Å; L178-L186 HydrophobicContact CG-CD2 4.41Å; L179-L186 HydrophobicContact CD2-CD1 3.88Å; L184-L186 HydrophobicContact CD2-CD2 3.51Å; L184-L186 HydrophobicContact CD2-CG 4.27Å; L186-T188 VanDerWaalsContact C-N 3.3Å; L186-T188 PolarHBondContact O-N 2.69Å; L186-F193 HydrophobicContact CB-CD2 4.46Å; L186-F193 HydrophobicContact CB-CE2 4.31Å; L186-F193 HydrophobicContact CD2-CD2 3.74Å; L186-F193 HydrophobicContact CD2-CE2 3.85Å; L186-F231 WeakPolarHBondContact O-CZ 3.08Å; L186-I521 HydrophobicContact CB-CD1 4.25Å; L186-I521 HydrophobicContact CD1-CB 4.49Å; L186-I521 HydrophobicContact CD1-CD1 4.32Å; L186-I521 HydrophobicContact CD1-CG1 4.19Å; L186-I521 WeakPolarHBondContact CD1-O 3.49Å; L186-Q522 PolarHBondContact O-NE2 3.3Å
187	R	98.3	Very high	97.2	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	37.6	176.9	-51.8	177	68.6	-165.1	0.5	113.7	Y164 L174 F193 E225 N226 Y228 F231 Y237 I521	Y164-R187 HydrophobicContact CG-CG 4.3Å; L174-R187 HydrophobicContact CD1-CG 4.42Å; R187-F193 VanDerWaalsContact CA-CE1 3.48Å; R187-F193 HydrophobicContact CG-CZ 4.43Å; R187-F193 VanDerWaalsContact N-CZ 3.29Å; R187-E225 IonicContact CZ-OE1 3.34Å; R187-E225 IonicContact CZ-OE2 3.71Å; R187-E225 IonicContact NE-OE1 3.58Å; R187-E225 PolarHBondContact NE-OE1 2.65Å; R187-E225 IonicContact NE-OE2 3.75Å; R187-E225 IonicContact NH2-OE1 3.31Å; R187-E225 PolarHBondContact NH2-OE1 2.79Å; R187-E225 IonicContact NH2-OE2 3.93Å; R187-E225 PolarHBondContact NH2-OE2 2.88Å; R187-N226 PolarHBondContact NH2-O 3.25Å; R187-Y228 HydrophobicContact CB-CE2 4.24Å; R187-Y228 WeakPolarHBondContact O-CE2 3.38Å; R187-Y228 PolarHBondContact O-OH 2.97Å; R187-Y228 VanDerWaalsContact O-OH 3.07Å; R187-F231 HydrophobicContact CB-CD1 4.17Å; R187-F231 HydrophobicContact CB-CE1 3.72Å; R187-F231 HydrophobicContact CB-CZ 3.94Å; R187-F231 WeakPolarHBondContact O-CE1 3.33Å; R187-Y237 HydrophobicContact CB-CE1 4.1Å; R187-I521 HydrophobicContact CG-CD1 4.25Å
188	T	98.5	Very high	97.2	Very high	9 Å²	9	43.6 Å²	43.6	6%	0.055	22%	0.221	C	C	.	.	S	Bend	trans	-135.5	177.2	173.7	71.9	0	0	0	0	110.3	L185 L186 N190 F193 F231 D234 Y237	L185-T188 HydrophobicContact CB-CG2 4.02Å; L185-T188 WeakPolarHBondContact CB-OG1 3.28Å; L185-T188 PolarHBondContact O-OG1 3.01Å; L186-T188 VanDerWaalsContact C-N 3.3Å; L186-T188 PolarHBondContact O-N 2.69Å; T188-N190 PolarHBondContact O-N 3.04Å; T188-N190 VanDerWaalsContact OG1-CB 3.22Å; T188-N190 WeakPolarHBondContact OG1-CB 3.41Å; T188-N190 PolarHBondContact OG1-N 3Å; T188-N190 VanDerWaalsContact OG1-N 3.14Å; T188-F193 WeakPolarHBondContact O-CD1 3.43Å; T188-F231 HydrophobicContact CG2-CE1 4.47Å; T188-D234 HydrophobicContact CG2-CB 4.2Å; T188-Y237 VanDerWaalsContact C-CD2 3.48Å; T188-Y237 VanDerWaalsContact O-CD2 3.29Å; T188-Y237 WeakPolarHBondContact O-CD2 3.42Å
189	T	98.3	Very high	97.2	Very high	51 Å²	51	49.1 Å²	49.1	31%	0.313	25%	0.245	S	C	.	.			trans	-80.7	12.9	170.8	58.1	0	0	0	0	113.8	K191 D234 T236	T189-K191 PolarHBondContact O-N 2.96Å; T189-D234 VanDerWaalsContact CB-OD2 3.31Å; T189-D234 WeakPolarHBondContact CB-OD2 3.48Å; T189-D234 WeakPolarHBondContact CG2-OD2 3.17Å; T189-D234 PolarHBondContact N-OD2 3.17Å; T189-D234 PolarHBondContact OG1-OD2 2.93Å; T189-T236 WeakPolarHBondContact CG2-OG1 3.35Å; T189-T236 PolarHBondContact OG1-OG1 3.31Å
190	N	98.1	Very high	97.3	Very high	49 Å²	49	48.8 Å²	48.8	26%	0.262	24%	0.244	S	C	.	.			trans	-48	126.1	168.4	177.7	-71.9	0	0	0	110	L185 T188 G192 F193 T194	L185-N190 HydrophobicContact CB-CB 4.08Å; T188-N190 PolarHBondContact O-N 3.04Å; T188-N190 VanDerWaalsContact OG1-CB 3.22Å; T188-N190 WeakPolarHBondContact OG1-CB 3.41Å; T188-N190 PolarHBondContact OG1-N 3Å; T188-N190 VanDerWaalsContact OG1-N 3.14Å; N190-G192 VanDerWaalsContact C-N 3.3Å; N190-G192 PolarHBondContact O-N 3.36Å; N190-G192 PolarHBondContact OD1-N 2.89Å; N190-F193 HydrophobicContact CB-CB 4.35Å; N190-F193 PolarHBondContact O-N 3.16Å; N190-F193 PolarHBondContact OD1-N 2.81Å; N190-T194 PolarHBondContact O-N 3.02Å; N190-T194 PolarHBondContact O-OG1 2.84Å
191	K	97.4	Very high	97.3	Very high	147 Å²	147	47.1 Å²	47.1	64%	0.639	24%	0.236	S	C	*	.	H	α-helix	trans	-54.8	-43.2	-172.5	-178.5	177.7	172.1	-177.8	0	112.8	T189 F193 T194 E195	T189-K191 PolarHBondContact O-N 2.96Å; K191-F193 VanDerWaalsContact C-N 3.34Å; K191-F193 PolarHBondContact O-N 3.24Å; K191-T194 PolarHBondContact O-N 3.01Å; K191-T194 PolarHBondContact O-OG1 3.13Å; K191-E195 WeakPolarHBondContact CE-OE1 3.47Å; K191-E195 HydrophobicContact CG-CG 4.29Å; K191-E195 WeakPolarHBondContact CG-OE1 3.43Å; K191-E195 IonicContact NZ-OE1 2.95Å; K191-E195 VanDerWaalsContact O-CB 3.31Å; K191-E195 WeakPolarHBondContact O-CB 3.47Å; K191-E195 VanDerWaalsContact O-CG 3.22Å; K191-E195 WeakPolarHBondContact O-CG 3.48Å; K191-E195 PolarHBondContact O-N 2.9Å
192	G	97.3	Very high	97.6	Very high	30 Å²	30	48.3 Å²	48.3	31%	0.309	24%	0.242	S	C	.	.	H	α-helix	trans	-65.6	-37.7	-180	0	0	0	0	0	112.6	N190 A196	N190-G192 VanDerWaalsContact C-N 3.3Å; N190-G192 PolarHBondContact O-N 3.36Å; N190-G192 PolarHBondContact OD1-N 2.89Å; G192-A196 PolarHBondContact O-N 3.01Å
193	F	98.6	Very high	97.9	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-71.3	-47	176	-176.7	-107	0	0	0	111.9	W125 P163 L174 L178 L184 L186 R187 T188 N190 K191 E195 A196 V197 Y237	W125-F193 HydrophobicContact CZ3-CE2 4.33Å; P163-F193 HydrophobicContact CG-CZ 4.38Å; L174-F193 HydrophobicContact CD1-CE2 4.38Å; L174-F193 HydrophobicContact CD2-CE2 4.23Å; L174-F193 HydrophobicContact CD2-CZ 4.33Å; L178-F193 HydrophobicContact CD1-CD2 4.38Å; L178-F193 HydrophobicContact CD1-CE2 4.12Å; L178-F193 HydrophobicContact CD2-CD2 4.31Å; L184-F193 HydrophobicContact CD2-CB 3.82Å; L184-F193 HydrophobicContact CD2-CD2 4.03Å; L184-F193 HydrophobicContact CD2-CG 4.35Å; L184-F193 HydrophobicContact CG-CB 4.25Å; L186-F193 HydrophobicContact CB-CD2 4.46Å; L186-F193 HydrophobicContact CB-CE2 4.31Å; L186-F193 HydrophobicContact CD2-CD2 3.74Å; L186-F193 HydrophobicContact CD2-CE2 3.85Å; R187-F193 VanDerWaalsContact CA-CE1 3.48Å; R187-F193 HydrophobicContact CG-CZ 4.43Å; R187-F193 VanDerWaalsContact N-CZ 3.29Å; T188-F193 WeakPolarHBondContact O-CD1 3.43Å; N190-F193 HydrophobicContact CB-CB 4.35Å; N190-F193 PolarHBondContact O-N 3.16Å; N190-F193 PolarHBondContact OD1-N 2.81Å; K191-F193 VanDerWaalsContact C-N 3.34Å; K191-F193 PolarHBondContact O-N 3.24Å; F193-E195 PolarHBondContact O-N 2.97Å; F193-A196 WeakPolarHBondContact O-CB 3.32Å; F193-A196 PolarHBondContact O-N 3.04Å; F193-V197 HydrophobicContact CD1-CG2 4.15Å; F193-V197 HydrophobicContact CE1-CG2 3.71Å; F193-V197 HydrophobicContact CE2-CG2 4.19Å; F193-V197 HydrophobicContact CZ-CG2 3.74Å; F193-V197 WeakPolarHBondContact O-CG2 3.45Å; F193-V197 PolarHBondContact O-N 2.81Å; F193-Y237 HydrophobicContact CD1-CE2 4.2Å; F193-Y237 AromaticContact CE1-CE2 3.69Å; F193-Y237 HydrophobicContact CE1-CE2 3.69Å; F193-Y237 AromaticContact CE1-CZ 3.79Å; F193-Y237 WeakPolarHBondContact CE1-OH 3.3Å
194	T	98.4	Very high	98.2	Very high	13 Å²	13	39 Å²	39	8%	0.08	20%	0.199	C	C	.	.	H	α-helix	trans	-65.5	-39.4	-179.5	50.7	0	0	0	0	112.3	N190 K191 A196 V197 E198 Y240	N190-T194 PolarHBondContact O-N 3.02Å; N190-T194 PolarHBondContact O-OG1 2.84Å; K191-T194 PolarHBondContact O-N 3.01Å; K191-T194 PolarHBondContact O-OG1 3.13Å; T194-A196 VanDerWaalsContact C-N 3.28Å; T194-A196 PolarHBondContact O-N 3.25Å; T194-V197 PolarHBondContact O-N 2.85Å; T194-E198 VanDerWaalsContact O-CG 3.3Å; T194-E198 WeakPolarHBondContact O-CG 3.49Å; T194-E198 PolarHBondContact O-N 3.33Å; T194-Y240 HydrophobicContact CG2-CD1 4.11Å; T194-Y240 HydrophobicContact CG2-CE1 3.8Å; T194-Y240 HydrophobicContact CG2-CE2 4.32Å
195	E	98.3	Very high	98.3	Very high	93 Å²	93	38 Å²	38	44%	0.435	19%	0.194	S	C	.	.	H	α-helix	trans	-59.9	-37.2	173.2	-75.9	175.4	173.3	0	0	112.7	K191 F193 K199	K191-E195 WeakPolarHBondContact CE-OE1 3.47Å; K191-E195 HydrophobicContact CG-CG 4.29Å; K191-E195 WeakPolarHBondContact CG-OE1 3.43Å; K191-E195 IonicContact NZ-OE1 2.95Å; K191-E195 VanDerWaalsContact O-CB 3.31Å; K191-E195 WeakPolarHBondContact O-CB 3.47Å; K191-E195 VanDerWaalsContact O-CG 3.22Å; K191-E195 WeakPolarHBondContact O-CG 3.48Å; K191-E195 PolarHBondContact O-N 2.9Å; F193-E195 PolarHBondContact O-N 2.97Å; E195-K199 WeakPolarHBondContact O-CG 3.38Å; E195-K199 PolarHBondContact O-N 2.92Å
196	A	98.5	Very high	98.4	Very high	5 Å²	5	38.1 Å²	38.1	4%	0.041	20%	0.199	C	C	.	.	H	α-helix	trans	-68	-43.5	174.4	0	0	0	0	0	111.7	W125 W177 L178 G192 F193 T194 E198 K199 Y200	W125-A196 HydrophobicContact CH2-CB 3.81Å; W125-A196 HydrophobicContact CZ2-CB 4.11Å; W125-A196 WeakPolarHBondContact CZ2-O 3.4Å; W177-A196 HydrophobicContact CH2-CB 3.9Å; W177-A196 HydrophobicContact CZ3-CB 3.96Å; L178-A196 HydrophobicContact CD2-CB 3.64Å; G192-A196 PolarHBondContact O-N 3.01Å; F193-A196 WeakPolarHBondContact O-CB 3.32Å; F193-A196 PolarHBondContact O-N 3.04Å; T194-A196 VanDerWaalsContact C-N 3.28Å; T194-A196 PolarHBondContact O-N 3.25Å; A196-E198 PolarHBondContact O-N 2.75Å; A196-K199 PolarHBondContact O-N 2.8Å; A196-Y200 PolarHBondContact O-N 2.74Å
197	V	98.8	Very high	98.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.4	-41.6	176.4	172.5	0	0	0	0	111.7	W125 P163 F193 T194 K199 Y200 F201 L241	W125-V197 HydrophobicContact CH2-CG2 3.93Å; W125-V197 HydrophobicContact CZ3-CG2 3.77Å; P163-V197 HydrophobicContact CB-CG1 4.25Å; P163-V197 HydrophobicContact CB-CG2 3.92Å; P163-V197 HydrophobicContact CG-CG1 3.94Å; P163-V197 HydrophobicContact CG-CG2 3.7Å; F193-V197 HydrophobicContact CD1-CG2 4.15Å; F193-V197 HydrophobicContact CE1-CG2 3.71Å; F193-V197 HydrophobicContact CE2-CG2 4.19Å; F193-V197 HydrophobicContact CZ-CG2 3.74Å; F193-V197 WeakPolarHBondContact O-CG2 3.45Å; F193-V197 PolarHBondContact O-N 2.81Å; T194-V197 PolarHBondContact O-N 2.85Å; V197-K199 VanDerWaalsContact C-N 3.34Å; V197-K199 PolarHBondContact O-N 3.28Å; V197-Y200 PolarHBondContact O-N 3.37Å; V197-F201 HydrophobicContact CG1-CD2 3.93Å; V197-F201 HydrophobicContact CG1-CE2 3.88Å; V197-F201 HydrophobicContact CG1-CG 4.45Å; V197-F201 HydrophobicContact CG1-CZ 4.36Å; V197-F201 WeakPolarHBondContact O-CB 3.11Å; V197-F201 PolarHBondContact O-N 3.14Å; V197-L241 HydrophobicContact CG1-CD2 3.73Å
198	E	98.5	Very high	98.4	Very high	39 Å²	39	42.5 Å²	42.5	18%	0.182	22%	0.215	C	C	.	.	H	α-helix	trans	-58.4	-46.6	176	-68	-67.8	121.6	0	0	110.7	T194 A196 Y200 F201 D202 Y240 A244 R248	T194-E198 VanDerWaalsContact O-CG 3.3Å; T194-E198 WeakPolarHBondContact O-CG 3.49Å; T194-E198 PolarHBondContact O-N 3.33Å; A196-E198 PolarHBondContact O-N 2.75Å; E198-Y200 PolarHBondContact O-N 3.21Å; E198-F201 PolarHBondContact O-N 2.81Å; E198-D202 WeakPolarHBondContact O-CB 3.31Å; E198-D202 PolarHBondContact O-N 2.79Å; E198-Y240 WeakPolarHBondContact CG-OH 3.38Å; E198-Y240 WeakPolarHBondContact OE1-CE1 3.34Å; E198-Y240 VanDerWaalsContact OE1-CZ 3.28Å; E198-Y240 PolarHBondContact OE1-OH 3.49Å; E198-A244 WeakPolarHBondContact OE1-CB 3.26Å; E198-R248 VanDerWaalsContact CD-NH2 3.32Å; E198-R248 PolarHBondContact O-NH2 3.28Å; E198-R248 IonicContact OE1-NH1 3.46Å; E198-R248 PolarHBondContact OE1-NH1 3.39Å; E198-R248 IonicContact OE2-CZ 3.15Å; E198-R248 IonicContact OE2-NH1 2.81Å; E198-R248 PolarHBondContact OE2-NH1 3.03Å; E198-R248 IonicContact OE2-NH2 2.63Å; E198-R248 PolarHBondContact OE2-NH2 3.42Å
199	K	98.4	Very high	98.4	Very high	117 Å²	117	44.9 Å²	44.9	51%	0.509	23%	0.227	S	C	.	.	H	α-helix	trans	-62.8	-40.9	178.1	-71.2	174.5	-176.3	177.3	0	112.8	E195 A196 V197 D202 H203	E195-K199 WeakPolarHBondContact O-CG 3.38Å; E195-K199 PolarHBondContact O-N 2.92Å; A196-K199 PolarHBondContact O-N 2.8Å; V197-K199 VanDerWaalsContact C-N 3.34Å; V197-K199 PolarHBondContact O-N 3.28Å; K199-D202 PolarHBondContact O-N 2.76Å; K199-H203 PolarHBondContact O-N 2.79Å; K199-H203 PolarHBondContact O-ND1 3.23Å
200	Y	98.8	Very high	98.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.9	-48.7	174.1	167.9	-125.1	0	0	0	111.4	V123 W125 F135 P161 P163 A196 V197 E198 D202 H203 L204	V123-Y200 VanDerWaalsContact CG1-OH 3.24Å; V123-Y200 WeakPolarHBondContact CG1-OH 3.24Å; W125-Y200 HydrophobicContact CB-CD1 4.39Å; W125-Y200 HydrophobicContact CB-CD2 4.29Å; W125-Y200 HydrophobicContact CB-CE1 3.98Å; W125-Y200 HydrophobicContact CB-CE2 3.87Å; W125-Y200 AromaticContact CD1-CD2 3.27Å; W125-Y200 AromaticContact CD1-CE2 3.63Å; W125-Y200 AromaticContact CD1-CG 3.63Å; W125-Y200 AromaticContact CD2-CD1 3.86Å; W125-Y200 HydrophobicContact CD2-CD1 3.86Å; W125-Y200 HydrophobicContact CD2-CD2 4.19Å; W125-Y200 HydrophobicContact CD2-CE1 4.31Å; W125-Y200 AromaticContact CD2-CG 3.77Å; W125-Y200 HydrophobicContact CD2-CG 3.77Å; W125-Y200 VanDerWaalsContact CE2-CB 3.49Å; W125-Y200 AromaticContact CE2-CG 3.7Å; W125-Y200 HydrophobicContact CE3-CD1 4.16Å; W125-Y200 HydrophobicContact CE3-CG 4.46Å; W125-Y200 AromaticContact CG-CD1 3.96Å; W125-Y200 HydrophobicContact CG-CD1 3.96Å; W125-Y200 AromaticContact CG-CD2 3.69Å; W125-Y200 HydrophobicContact CG-CD2 3.69Å; W125-Y200 HydrophobicContact CG-CE1 4.05Å; W125-Y200 AromaticContact CG-CE2 3.79Å; W125-Y200 HydrophobicContact CG-CE2 3.79Å; W125-Y200 AromaticContact CG-CG 3.76Å; W125-Y200 HydrophobicContact CG-CG 3.76Å; W125-Y200 AromaticContact CG-CZ 3.94Å; W125-Y200 HydrophobicContact CZ2-CG 4.32Å; W125-Y200 AromaticContact NE1-CD2 3.61Å; W125-Y200 AromaticContact NE1-CG 3.62Å; F135-Y200 HydrophobicContact CE1-CD2 4.1Å; P161-Y200 PolarHBondContact O-OH 2.85Å; P163-Y200 HydrophobicContact CB-CD1 4.26Å; P163-Y200 HydrophobicContact CB-CE1 4.35Å; A196-Y200 PolarHBondContact O-N 2.74Å; V197-Y200 PolarHBondContact O-N 3.37Å; E198-Y200 PolarHBondContact O-N 3.21Å; Y200-D202 VanDerWaalsContact C-N 3.33Å; Y200-D202 PolarHBondContact O-N 2.95Å; Y200-H203 PolarHBondContact O-N 3.06Å; Y200-H203 VanDerWaalsContact O-N 3.12Å; Y200-L204 HydrophobicContact CE1-CD2 4.08Å; Y200-L204 HydrophobicContact CE2-CB 4.19Å; Y200-L204 HydrophobicContact CE2-CD2 4.15Å; Y200-L204 WeakPolarHBondContact O-CB 3.47Å; Y200-L204 PolarHBondContact O-N 3.42Å; Y200-L204 WeakPolarHBondContact OH-CD2 3.24Å
201	F	98.8	Very high	98.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-68.6	-29.2	178.5	-74.7	-11.5	0	0	0	113.4	V197 E198 H203 L204 I205 L241 A244 L245	V197-F201 HydrophobicContact CG1-CD2 3.93Å; V197-F201 HydrophobicContact CG1-CE2 3.88Å; V197-F201 HydrophobicContact CG1-CG 4.45Å; V197-F201 HydrophobicContact CG1-CZ 4.36Å; V197-F201 WeakPolarHBondContact O-CB 3.11Å; V197-F201 PolarHBondContact O-N 3.14Å; E198-F201 PolarHBondContact O-N 2.81Å; F201-H203 PolarHBondContact O-N 3.36Å; F201-L204 HydrophobicContact CD1-CD2 4.49Å; F201-I205 HydrophobicContact CB-CG1 3.95Å; F201-I205 HydrophobicContact CD1-CG1 4.47Å; F201-I205 HydrophobicContact CG-CG1 4.27Å; F201-I205 VanDerWaalsContact O-CB 3.29Å; F201-I205 WeakPolarHBondContact O-CB 3.45Å; F201-I205 VanDerWaalsContact O-CG1 3.28Å; F201-I205 WeakPolarHBondContact O-CG1 3.48Å; F201-I205 PolarHBondContact O-N 2.71Å; F201-L241 HydrophobicContact CE2-CD2 4.05Å; F201-A244 HydrophobicContact CD2-CB 4.36Å; F201-L245 HydrophobicContact CD2-CD2 4.21Å; F201-L245 HydrophobicContact CE1-CD2 4.5Å; F201-L245 HydrophobicContact CE2-CD2 3.82Å; F201-L245 HydrophobicContact CE2-CG 4.18Å; F201-L245 HydrophobicContact CZ-CD2 3.98Å
202	D	98.6	Very high	98.4	Very high	86 Å²	86	36.8 Å²	36.8	46%	0.46	19%	0.192	S	C	.	.	H	α-helix	trans	-63.8	-23.9	171.7	-70.9	-21.6	0	0	0	112.6	E198 K199 Y200 P206 R248	E198-D202 WeakPolarHBondContact O-CB 3.31Å; E198-D202 PolarHBondContact O-N 2.79Å; K199-D202 PolarHBondContact O-N 2.76Å; Y200-D202 VanDerWaalsContact C-N 3.33Å; Y200-D202 PolarHBondContact O-N 2.95Å; D202-P206 WeakPolarHBondContact O-CD 3.4Å; D202-P206 VanDerWaalsContact O-CG 3.27Å; D202-P206 WeakPolarHBondContact O-CG 3.2Å; D202-R248 IonicContact OD1-CZ 3.13Å; D202-R248 IonicContact OD1-NE 2.6Å; D202-R248 PolarHBondContact OD1-NE 2.88Å; D202-R248 IonicContact OD1-NH2 2.71Å; D202-R248 PolarHBondContact OD1-NH2 3.42Å; D202-R248 IonicContact OD2-NH2 3.54Å
203	H	98.2	Very high	98.4	Very high	87 Å²	87	35.3 Å²	35.3	40%	0.403	18%	0.178	S	C	.	.	H	α-helix	trans	-93.9	-42.8	174.2	-71.8	80.3	0	0	0	112.8	F135 K199 Y200 F201	F135-H203 HydrophobicContact CD1-CB 3.93Å; F135-H203 HydrophobicContact CD2-CB 4.1Å; F135-H203 AromaticContact CD2-CD2 3.28Å; F135-H203 WeakPolarHBondContact CD2-CD2 3.43Å; F135-H203 AromaticContact CD2-CE1 3.85Å; F135-H203 AromaticContact CD2-CG 3.47Å; F135-H203 VanDerWaalsContact CD2-CG 3.47Å; F135-H203 AromaticContact CD2-ND1 3.83Å; F135-H203 AromaticContact CD2-NE2 3.54Å; F135-H203 HydrophobicContact CE1-CB 3.86Å; F135-H203 HydrophobicContact CE2-CB 4.05Å; F135-H203 AromaticContact CE2-CD2 3.54Å; F135-H203 AromaticContact CE2-CE1 3.34Å; F135-H203 WeakPolarHBondContact CE2-CE1 3.4Å; F135-H203 AromaticContact CE2-CG 3.33Å; F135-H203 AromaticContact CE2-ND1 3.21Å; F135-H203 WeakPolarHBondContact CE2-ND1 3.32Å; F135-H203 AromaticContact CE2-NE2 3.55Å; F135-H203 HydrophobicContact CG-CB 4.04Å; F135-H203 AromaticContact CG-CD2 3.86Å; F135-H203 AromaticContact CG-CG 3.91Å; F135-H203 HydrophobicContact CZ-CB 3.91Å; F135-H203 AromaticContact CZ-CG 3.63Å; F135-H203 AromaticContact CZ-ND1 3.49Å; F135-H203 WeakPolarHBondContact CZ-ND1 3.48Å; K199-H203 PolarHBondContact O-N 2.79Å; K199-H203 PolarHBondContact O-ND1 3.23Å; Y200-H203 PolarHBondContact O-N 3.06Å; Y200-H203 VanDerWaalsContact O-N 3.12Å; F201-H203 PolarHBondContact O-N 3.36Å
204	L	98.7	Very high	98.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-72.9	-50.5	-176.1	176.7	64.5	0	0	0	112.2	V123 F137 L143 P161 Y200 F201 R207 V208	V123-L204 HydrophobicContact CB-CD2 4.44Å; V123-L204 HydrophobicContact CG1-CD1 3.92Å; V123-L204 HydrophobicContact CG1-CD2 4.04Å; F137-L204 HydrophobicContact CE1-CD1 3.88Å; F137-L204 HydrophobicContact CZ-CD1 4.09Å; L143-L204 HydrophobicContact CD2-CD1 3.72Å; P161-L204 HydrophobicContact CB-CD2 3.66Å; Y200-L204 HydrophobicContact CE1-CD2 4.08Å; Y200-L204 HydrophobicContact CE2-CB 4.19Å; Y200-L204 HydrophobicContact CE2-CD2 4.15Å; Y200-L204 WeakPolarHBondContact O-CB 3.47Å; Y200-L204 PolarHBondContact O-N 3.42Å; Y200-L204 WeakPolarHBondContact OH-CD2 3.24Å; F201-L204 HydrophobicContact CD1-CD2 4.49Å; L204-R207 WeakPolarHBondContact O-CB 3.33Å; L204-R207 PolarHBondContact O-N 2.81Å; L204-R207 VanDerWaalsContact O-N 3.08Å; L204-V208 HydrophobicContact CD1-CG2 4.17Å; L204-V208 HydrophobicContact CG-CG2 4.19Å; L204-V208 PolarHBondContact O-N 3.17Å
205	I	98.6	Very high	98	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-64.5	-39.9	-167.8	-57.9	-60.1	0	0	0	112.5	F201 R207 V208 I209 L245 R248 I250	F201-I205 HydrophobicContact CB-CG1 3.95Å; F201-I205 HydrophobicContact CD1-CG1 4.47Å; F201-I205 HydrophobicContact CG-CG1 4.27Å; F201-I205 VanDerWaalsContact O-CB 3.29Å; F201-I205 WeakPolarHBondContact O-CB 3.45Å; F201-I205 VanDerWaalsContact O-CG1 3.28Å; F201-I205 WeakPolarHBondContact O-CG1 3.48Å; F201-I205 PolarHBondContact O-N 2.71Å; I205-R207 PolarHBondContact O-N 3.24Å; I205-R207 VanDerWaalsContact O-N 3.13Å; I205-V208 CarbonylContact O-C 3.5Å; I205-V208 WeakPolarHBondContact O-CA 3.37Å; I205-V208 WeakPolarHBondContact O-CB 3.42Å; I205-V208 PolarHBondContact O-N 2.92Å; I205-I209 HydrophobicContact CG2-CG1 4.34Å; I205-I209 WeakPolarHBondContact O-CG1 3.37Å; I205-I209 PolarHBondContact O-N 2.66Å; I205-L245 HydrophobicContact CD1-CD2 3.67Å; I205-L245 HydrophobicContact CG1-CD2 4.41Å; I205-R248 HydrophobicContact CB-CB 3.94Å; I205-R248 HydrophobicContact CG1-CB 4.23Å; I205-R248 HydrophobicContact CG2-CB 3.57Å; I205-R248 VanDerWaalsContact CG2-O 3.3Å; I205-R248 WeakPolarHBondContact CG2-O 3.44Å; I205-I250 HydrophobicContact CD1-CD1 4.12Å; I205-I250 HydrophobicContact CD1-CG1 4.1Å; I205-I250 HydrophobicContact CG2-CD1 3.79Å; I205-I250 HydrophobicContact CG2-CG1 3.93Å
206	P	98.6	Very high	97.7	Very high	72 Å²	72	44.1 Å²	44.1	47%	0.468	22%	0.224	S	C	.	.	H	α-helix	trans	-54.8	-31.2	173.8	-29.8	38.4	0	0	0	114.7	D202 P210	D202-P206 WeakPolarHBondContact O-CD 3.4Å; D202-P206 VanDerWaalsContact O-CG 3.27Å; D202-P206 WeakPolarHBondContact O-CG 3.2Å; P206-P210 VanDerWaalsContact O-CD 3.27Å; P206-P210 WeakPolarHBondContact O-CD 3.49Å
207	R	98.4	Very high	97.6	Very high	93 Å²	93	44.1 Å²	44.1	35%	0.351	23%	0.225	S	C	.	.	H	α-helix	trans	-75.2	-30.5	174	-60.5	177.5	176.5	-79.8	-2.8	112.7	E144 L204 I205 P210	E144-R207 HydrophobicContact CG-CB 4.16Å; E144-R207 WeakPolarHBondContact OE2-CD 3.29Å; E144-R207 IonicContact OE2-CZ 3.64Å; E144-R207 IonicContact OE2-NH1 2.63Å; E144-R207 PolarHBondContact OE2-NH1 2.75Å; L204-R207 WeakPolarHBondContact O-CB 3.33Å; L204-R207 PolarHBondContact O-N 2.81Å; L204-R207 VanDerWaalsContact O-N 3.08Å; I205-R207 PolarHBondContact O-N 3.24Å; I205-R207 VanDerWaalsContact O-N 3.13Å; R207-P210 WeakPolarHBondContact O-CD 3.29Å; R207-P210 WeakPolarHBondContact O-CG 3.46Å
208	V	98.6	Very high	97.6	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-76.8	-31.5	177.1	178.6	0	0	0	0	111.7	L159 L204 I205 L211 Q212 I250	L159-V208 HydrophobicContact CD2-CB 4.35Å; L159-V208 HydrophobicContact CD2-CG1 3.73Å; L159-V208 HydrophobicContact CD2-CG2 3.59Å; L204-V208 HydrophobicContact CD1-CG2 4.17Å; L204-V208 HydrophobicContact CG-CG2 4.19Å; L204-V208 PolarHBondContact O-N 3.17Å; I205-V208 CarbonylContact O-C 3.5Å; I205-V208 WeakPolarHBondContact O-CA 3.37Å; I205-V208 WeakPolarHBondContact O-CB 3.42Å; I205-V208 PolarHBondContact O-N 2.92Å; V208-L211 WeakPolarHBondContact O-CA 3.37Å; V208-L211 WeakPolarHBondContact O-CB 3.49Å; V208-L211 PolarHBondContact O-N 3.01Å; V208-Q212 HydrophobicContact CG1-CG 4.49Å; V208-Q212 PolarHBondContact O-N 3.04Å; V208-I250 HydrophobicContact CB-CD1 4.41Å; V208-I250 HydrophobicContact CG1-CD1 3.83Å
209	I	98.4	Very high	97.6	Very high	58 Å²	58	42.2 Å²	42.2	30%	0.297	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-46.6	-55.7	-179.3	-71.2	172.4	0	0	0	112.8	I205 L211 Q212 Q215 R248	I205-I209 HydrophobicContact CG2-CG1 4.34Å; I205-I209 WeakPolarHBondContact O-CG1 3.37Å; I205-I209 PolarHBondContact O-N 2.66Å; I209-L211 PolarHBondContact O-N 3.11Å; I209-Q212 WeakPolarHBondContact O-CB 3.3Å; I209-Q212 PolarHBondContact O-N 3.26Å; I209-Q215 HydrophobicContact CG2-CG 4.44Å; I209-Q215 WeakPolarHBondContact O-CB 3.41Å; I209-Q215 VanDerWaalsContact O-CG 3.26Å; I209-Q215 WeakPolarHBondContact O-CG 3.47Å; I209-R248 WeakPolarHBondContact CD1-O 3.37Å
210	P	97.9	Very high	97.6	Very high	71 Å²	71	36.7 Å²	36.7	46%	0.461	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-67.7	-16.3	-179.2	27.7	-36.5	0	0	0	113.8	P206 R207	P206-P210 VanDerWaalsContact O-CD 3.27Å; P206-P210 WeakPolarHBondContact O-CD 3.49Å; R207-P210 WeakPolarHBondContact O-CD 3.29Å; R207-P210 WeakPolarHBondContact O-CG 3.46Å
211	L	98.5	Very high	97.6	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.026	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-88	-11.4	-179.7	-52.9	176.1	0	0	0	112.8	E144 V147 L148 V208 I209 G217 P218 V219	E144-L211 HydrophobicContact CG-CD1 4.1Å; V147-L211 HydrophobicContact CB-CD1 4Å; V147-L211 HydrophobicContact CG1-CB 4.02Å; V147-L211 HydrophobicContact CG1-CD1 3.89Å; V147-L211 HydrophobicContact CG1-CD2 4.15Å; V147-L211 HydrophobicContact CG1-CG 4.24Å; V147-L211 HydrophobicContact CG2-CD1 4.31Å; L148-L211 HydrophobicContact CD1-CD2 4.42Å; L148-L211 HydrophobicContact CD2-CD2 3.83Å; L148-L211 HydrophobicContact CG-CD2 3.86Å; V208-L211 WeakPolarHBondContact O-CA 3.37Å; V208-L211 WeakPolarHBondContact O-CB 3.49Å; V208-L211 PolarHBondContact O-N 3.01Å; I209-L211 PolarHBondContact O-N 3.11Å; L211-G217 CarbonylContact O-C 3.6Å; L211-G217 WeakPolarHBondContact O-CA 3.26Å; L211-P218 WeakPolarHBondContact O-CD 3.14Å; L211-P218 VanDerWaalsContact O-N 3.16Å; L211-V219 HydrophobicContact CB-CG2 3.93Å; L211-V219 VanDerWaalsContact O-CB 3.29Å; L211-V219 WeakPolarHBondContact O-CB 3.33Å; L211-V219 WeakPolarHBondContact O-CG2 3.34Å; L211-V219 PolarHBondContact O-N 2.84Å
212	Q	98.1	Very high	97.6	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-62.9	143.5	176.7	-69.7	-171.7	100.1	0	0	111.6	V208 I209 R214 Q215 G216 G217 G249 I250 E252	V208-Q212 HydrophobicContact CG1-CG 4.49Å; V208-Q212 PolarHBondContact O-N 3.04Å; I209-Q212 WeakPolarHBondContact O-CB 3.3Å; I209-Q212 PolarHBondContact O-N 3.26Å; Q212-R214 VanDerWaalsContact C-N 3.28Å; Q212-R214 PolarHBondContact O-N 2.91Å; Q212-Q215 HydrophobicContact CB-CB 4.42Å; Q212-Q215 HydrophobicContact CB-CG 4.24Å; Q212-Q215 CarbonylContact O-C 3.48Å; Q212-Q215 WeakPolarHBondContact O-CA 3.14Å; Q212-Q215 PolarHBondContact O-N 3.48Å; Q212-G216 PolarHBondContact O-N 3.31Å; Q212-G217 PolarHBondContact O-N 2.72Å; Q212-G249 PolarHBondContact NE2-O 2.89Å; Q212-G249 PolarHBondContact OE1-O 3.12Å; Q212-I250 VanDerWaalsContact OE1-CA 3.26Å; Q212-E252 HydrophobicContact CB-CG 3.95Å; Q212-E252 WeakPolarHBondContact CB-OE1 3.32Å; Q212-E252 HydrophobicContact CG-CG 4Å
213	Y	96.9	Very high	97.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-49.9	-47.5	177.9	177.6	-85.7	0	0	0	112.7	L61 R64 G67 L82 E83 W156 Q215 G216 G217 V219 I220 E252	L61-Y213 HydrophobicContact CD2-CE2 4Å; L61-Y213 WeakPolarHBondContact CD2-OH 3.44Å; R64-Y213 HydrophobicContact CB-CD1 4.33Å; R64-Y213 HydrophobicContact CB-CE1 3.55Å; R64-Y213 WeakPolarHBondContact CD-O 3.48Å; R64-Y213 HydrophobicContact CG-CE1 4.03Å; R64-Y213 HydrophobicContact CG-CE2 4.29Å; R64-Y213 WeakPolarHBondContact CG-OH 3.21Å; R64-Y213 PolarHBondContact NH1-O 2.82Å; G67-Y213 VanDerWaalsContact CA-CD1 3.46Å; G67-Y213 VanDerWaalsContact CA-CE1 3.46Å; L82-Y213 HydrophobicContact CD1-CD2 4.29Å; L82-Y213 HydrophobicContact CD1-CE2 3.92Å; E83-Y213 VanDerWaalsContact CD-OH 3.24Å; E83-Y213 HydrophobicContact CG-CE1 4.49Å; E83-Y213 WeakPolarHBondContact CG-OH 3.34Å; E83-Y213 VanDerWaalsContact OE1-CE1 3.22Å; E83-Y213 WeakPolarHBondContact OE1-CE1 3.5Å; E83-Y213 PolarHBondContact OE1-OH 3.1Å; E83-Y213 VanDerWaalsContact OE1-OH 3.12Å; W156-Y213 HydrophobicContact CE3-CD2 4.15Å; W156-Y213 AromaticContact CH2-CD2 3.95Å; W156-Y213 HydrophobicContact CH2-CD2 3.95Å; W156-Y213 AromaticContact CH2-CE2 3.54Å; W156-Y213 HydrophobicContact CH2-CE2 3.54Å; W156-Y213 HydrophobicContact CZ2-CE2 4.42Å; W156-Y213 AromaticContact CZ3-CD2 3.48Å; W156-Y213 HydrophobicContact CZ3-CD2 3.48Å; W156-Y213 VanDerWaalsContact CZ3-CD2 3.48Å; W156-Y213 AromaticContact CZ3-CE2 3.6Å; W156-Y213 HydrophobicContact CZ3-CE2 3.6Å; Y213-Q215 PolarHBondContact O-N 2.93Å; Y213-G216 PolarHBondContact O-N 2.89Å; Y213-G217 VanDerWaalsContact CA-O 3.29Å; Y213-G217 WeakPolarHBondContact CA-O 3.28Å; Y213-V219 WeakPolarHBondContact CB-O 3.3Å; Y213-V219 PolarHBondContact N-O 3.02Å; Y213-I220 HydrophobicContact CD2-CG2 3.77Å; Y213-I220 HydrophobicContact CG-CG2 4.27Å; Y213-E252 WeakPolarHBondContact CA-OE1 3.36Å; Y213-E252 WeakPolarHBondContact CB-OE1 3.3Å; Y213-E252 PolarHBondContact N-OE1 2.9Å
214	R	93.3	Very high	97.7	Very high	125 Å²	125	28.6 Å²	28.6	47%	0.472	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-65.9	-17.1	178.6	-71.3	-171.4	174.3	-158.3	-2.6	114	Q212 V251 E252	Q212-R214 VanDerWaalsContact C-N 3.28Å; Q212-R214 PolarHBondContact O-N 2.91Å; R214-V251 HydrophobicContact CB-CG2 4.15Å; R214-V251 HydrophobicContact CG-CG2 4.37Å; R214-E252 WeakPolarHBondContact CB-OE1 3.36Å; R214-E252 WeakPolarHBondContact CG-OE1 3.43Å; R214-E252 PolarHBondContact N-OE1 3.31Å
215	Q	94.3	Very high	97.6	Very high	120 Å²	120	28.8 Å²	28.8	56%	0.561	15%	0.153	S	C	*	.	G	3₁₀ helix	trans	-100.4	7.5	174.7	-58.6	-61.3	-19.4	0	0	112.5	I209 Q212 Y213	I209-Q215 HydrophobicContact CG2-CG 4.44Å; I209-Q215 WeakPolarHBondContact O-CB 3.41Å; I209-Q215 VanDerWaalsContact O-CG 3.26Å; I209-Q215 WeakPolarHBondContact O-CG 3.47Å; Q212-Q215 HydrophobicContact CB-CB 4.42Å; Q212-Q215 HydrophobicContact CB-CG 4.24Å; Q212-Q215 CarbonylContact O-C 3.48Å; Q212-Q215 WeakPolarHBondContact O-CA 3.14Å; Q212-Q215 PolarHBondContact O-N 3.48Å; Y213-Q215 PolarHBondContact O-N 2.93Å
216	G	92.9	Very high	97.6	Very high	45 Å²	45	28.9 Å²	28.9	46%	0.464	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.1	-1.7	179.9	0	0	0	0	0	114.9	R64 Q212 Y213	R64-G216 VanDerWaalsContact CZ-O 3.28Å; R64-G216 VanDerWaalsContact NH1-CA 3.32Å; R64-G216 PolarHBondContact NH1-O 3.4Å; R64-G216 PolarHBondContact NH2-O 3.29Å; R64-G216 VanDerWaalsContact NH2-O 3.14Å; Q212-G216 PolarHBondContact O-N 3.31Å; Y213-G216 PolarHBondContact O-N 2.89Å
217	G	96.6	Very high	97.6	Very high	5 Å²	5	26.4 Å²	26.4	5%	0.052	14%	0.135	C	C	.	.	S	Bend	trans	-88.5	178.6	176.6	0	0	0	0	0	114.5	R64 L211 Q212 Y213	R64-G217 PolarHBondContact NH1-O 2.9Å; L211-G217 CarbonylContact O-C 3.6Å; L211-G217 WeakPolarHBondContact O-CA 3.26Å; Q212-G217 PolarHBondContact O-N 2.72Å; Y213-G217 VanDerWaalsContact CA-O 3.29Å; Y213-G217 WeakPolarHBondContact CA-O 3.28Å
218	P	98.3	Very high	97.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-90	-3.4	-173.5	38.3	-41	0	0	0	114.6	P58 V147 A151 V157 L211 I220	P58-P218 HydrophobicContact CB-CB 4.35Å; P58-P218 HydrophobicContact CG-CB 4.15Å; V147-P218 HydrophobicContact CG1-CG 3.43Å; V147-P218 VanDerWaalsContact CG1-CG 3.43Å; V147-P218 WeakPolarHBondContact O-CG 3.23Å; A151-P218 HydrophobicContact CB-CB 3.76Å; A151-P218 HydrophobicContact CB-CG 3.82Å; V157-P218 HydrophobicContact CG2-CB 4.1Å; V157-P218 HydrophobicContact CG2-CG 3.89Å; V157-P218 PolarHBondContact N-O 3.19Å; L211-P218 WeakPolarHBondContact O-CD 3.14Å; L211-P218 VanDerWaalsContact O-N 3.16Å; P218-I220 PolarHBondContact O-N 3.06Å
219	V	98.8	Very high	97.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	110.3	-174.9	178.9	0	0	0	0	110.1	V147 V157 L159 L211 Y213 V222 E252	V147-V219 HydrophobicContact CG1-CG2 3.92Å; V157-V219 HydrophobicContact CB-CG2 4.08Å; V157-V219 HydrophobicContact CG1-CG2 4.13Å; V157-V219 CarbonylContact O-C 3.54Å; V157-V219 WeakPolarHBondContact O-CA 3.48Å; L159-V219 HydrophobicContact CB-CG1 4.11Å; L211-V219 HydrophobicContact CB-CG2 3.93Å; L211-V219 VanDerWaalsContact O-CB 3.29Å; L211-V219 WeakPolarHBondContact O-CB 3.33Å; L211-V219 WeakPolarHBondContact O-CG2 3.34Å; L211-V219 PolarHBondContact O-N 2.84Å; Y213-V219 WeakPolarHBondContact CB-O 3.3Å; Y213-V219 PolarHBondContact N-O 3.02Å; V219-V222 HydrophobicContact CG1-CG2 3.85Å; V219-E252 WeakPolarHBondContact O-CG 3.5Å
220	I	98.6	Very high	97.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-17.3	-176.4	56.5	167.7	0	0	0	113.6	L68 L82 F87 T118 W156 V157 I158 Y213 P218	L68-I220 HydrophobicContact CB-CB 4.18Å; L68-I220 WeakPolarHBondContact CB-O 3.29Å; L68-I220 HydrophobicContact CD1-CD1 4.49Å; L68-I220 HydrophobicContact CD2-CD1 4.33Å; L82-I220 HydrophobicContact CD1-CG2 4.14Å; F87-I220 HydrophobicContact CE1-CD1 4.1Å; T118-I220 HydrophobicContact CG2-CD1 4.48Å; W156-I220 HydrophobicContact CB-CD1 3.63Å; W156-I220 HydrophobicContact CB-CG1 3.98Å; W156-I220 HydrophobicContact CB-CG2 4.19Å; W156-I220 HydrophobicContact CD2-CG2 3.83Å; W156-I220 HydrophobicContact CE3-CG2 3.49Å; W156-I220 VanDerWaalsContact CE3-CG2 3.49Å; W156-I220 HydrophobicContact CG-CD1 4.09Å; W156-I220 HydrophobicContact CG-CG2 4.15Å; W156-I220 HydrophobicContact CZ3-CG2 4.2Å; V157-I220 WeakPolarHBondContact O-CG1 3.32Å; V157-I220 PolarHBondContact O-N 3.07Å; I158-I220 HydrophobicContact CG1-CG1 4.42Å; Y213-I220 HydrophobicContact CD2-CG2 3.77Å; Y213-I220 HydrophobicContact CG-CG2 4.27Å; P218-I220 PolarHBondContact O-N 3.06Å
221	A	98.9	Very high	97.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	153.7	174.8	0	0	0	0	0	111.4	L68 I158 L159 L253 L255	L68-A221 HydrophobicContact CD2-CB 4.1Å; I158-A221 WeakPolarHBondContact CA-O 3.3Å; I158-A221 HydrophobicContact CG1-CB 4.19Å; I158-A221 HydrophobicContact CG2-CB 4.36Å; L159-A221 PolarHBondContact N-O 3.17Å; A221-L253 CarbonylContact C-O 3.58Å; A221-L253 WeakPolarHBondContact CA-O 3.33Å; A221-L253 HydrophobicContact CB-CB 4.31Å; A221-L253 HydrophobicContact CB-CD2 4.02Å; A221-L253 WeakPolarHBondContact CB-O 3.49Å; A221-L255 HydrophobicContact CB-CD2 4.02Å
222	V	98.9	Very high	97.2	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.1	178.2	-178	0	0	0	0	110.2	L159 P161 V219 I250 L253 L254 L255	L159-V222 CarbonylContact O-C 3.54Å; L159-V222 VanDerWaalsContact O-CA 3.28Å; L159-V222 WeakPolarHBondContact O-CA 3.27Å; P161-V222 HydrophobicContact CG-CG1 3.66Å; V219-V222 HydrophobicContact CG1-CG2 3.85Å; V222-I250 HydrophobicContact CB-CG2 4.06Å; V222-I250 HydrophobicContact CG1-CG2 4.42Å; V222-I250 HydrophobicContact CG2-CG2 3.95Å; V222-L253 PolarHBondContact N-O 2.99Å; V222-L254 HydrophobicContact CB-CD2 3.91Å; V222-L254 HydrophobicContact CG1-CD2 4.37Å; V222-L254 VanDerWaalsContact O-CA 3.3Å; V222-L254 WeakPolarHBondContact O-CA 3.33Å; V222-L254 WeakPolarHBondContact O-CD2 3.26Å; V222-L255 PolarHBondContact O-N 3.03Å
223	Q	98.9	Very high	97.1	Very high	3 Å²	3	26.7 Å²	26.7	1%	0.014	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	136	176.5	178.8	161.6	-24.3	0	0	111.8	L159 R160 P161 E225 N226 L255 S257	L159-Q223 PolarHBondContact O-N 3.11Å; R160-Q223 HydrophobicContact CB-CB 4.12Å; R160-Q223 HydrophobicContact CG-CB 3.8Å; R160-Q223 VanDerWaalsContact CZ-OE1 3.31Å; R160-Q223 VanDerWaalsContact NE-CD 3.33Å; P161-Q223 VanDerWaalsContact CD-O 3.3Å; P161-Q223 WeakPolarHBondContact CD-O 3.48Å; Q223-E225 WeakPolarHBondContact CG-O 3.23Å; Q223-E225 PolarHBondContact NE2-O 3.13Å; Q223-N226 PolarHBondContact NE2-OD1 3.07Å; Q223-L255 CarbonylContact C-O 3.58Å; Q223-L255 VanDerWaalsContact CA-O 3.29Å; Q223-L255 WeakPolarHBondContact CA-O 3.45Å; Q223-L255 HydrophobicContact CB-CD1 3.7Å; Q223-L255 HydrophobicContact CB-CG 4.24Å; Q223-L255 HydrophobicContact CG-CD1 3.78Å; Q223-S257 PolarHBondContact NE2-OG 3.42Å; Q223-S257 PolarHBondContact OE1-OG 3.16Å
224	V	98.7	Very high	97.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.			trans	-77.9	-42	-171.8	177.5	0	0	0	0	113.8	G162 M238 L241 H242 L245 L254 L255 V271	G162-V224 VanDerWaalsContact O-O 3.14Å; V224-M238 HydrophobicContact CG1-CE 4.39Å; V224-L241 HydrophobicContact CG1-CB 3.82Å; V224-H242 HydrophobicContact CG1-CB 4.17Å; V224-L245 HydrophobicContact CB-CD1 4.24Å; V224-L245 HydrophobicContact CG1-CD1 4.19Å; V224-L245 HydrophobicContact CG2-CD1 4.15Å; V224-L254 HydrophobicContact CG2-CB 4.06Å; V224-L254 HydrophobicContact CG2-CD1 4.3Å; V224-L254 HydrophobicContact CG2-CD2 4.28Å; V224-L254 HydrophobicContact CG2-CG 4.46Å; V224-L255 PolarHBondContact N-O 3.11Å; V224-V271 HydrophobicContact CG2-CG1 3.9Å; V224-V271 HydrophobicContact CG2-CG2 4.2Å
225	E	98.5	Very high	97.3	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.019	16%	0.16	C	C	.	.	S	Bend	trans	-156.2	179.2	177.9	-143.6	-87.9	173.8	0	0	107	R187 Q223 Y237 M238 L241	R187-E225 IonicContact CZ-OE1 3.34Å; R187-E225 IonicContact CZ-OE2 3.71Å; R187-E225 IonicContact NE-OE1 3.58Å; R187-E225 PolarHBondContact NE-OE1 2.65Å; R187-E225 IonicContact NE-OE2 3.75Å; R187-E225 IonicContact NH2-OE1 3.31Å; R187-E225 PolarHBondContact NH2-OE1 2.79Å; R187-E225 IonicContact NH2-OE2 3.93Å; R187-E225 PolarHBondContact NH2-OE2 2.88Å; Q223-E225 WeakPolarHBondContact CG-O 3.23Å; Q223-E225 PolarHBondContact NE2-O 3.13Å; E225-Y237 HydrophobicContact CG-CE1 3.8Å; E225-M238 HydrophobicContact CB-CE 3.7Å; E225-M238 HydrophobicContact CB-SD 3.4Å; E225-M238 WeakPolarHBondContact CB-SD 2.86Å; E225-M238 HydrophobicContact CG-SD 3.92Å; E225-L241 HydrophobicContact CB-CD1 3.77Å; E225-L241 HydrophobicContact CG-CD1 3.3Å
226	N	98.7	Very high	97.5	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.016	16%	0.156	C	C	.	.	S	Bend	trans	-119.4	115	-178.2	-168.4	60.2	0	0	0	114.5	Y122 R160 Y164 I165 R187 Q223 Y228	Y122-N226 HydrophobicContact CE1-CB 4.45Å; Y122-N226 VanDerWaalsContact OH-CG 3.23Å; Y122-N226 PolarHBondContact OH-ND2 3.02Å; Y122-N226 PolarHBondContact OH-OD1 2.84Å; R160-N226 PolarHBondContact NH2-OD1 2.85Å; Y164-N226 HydrophobicContact CD1-CB 4.14Å; Y164-N226 HydrophobicContact CE1-CB 4.41Å; Y164-N226 WeakPolarHBondContact O-CB 3.38Å; I165-N226 PolarHBondContact O-ND2 2.71Å; R187-N226 PolarHBondContact NH2-O 3.25Å; Q223-N226 PolarHBondContact NE2-OD1 3.07Å; N226-Y228 PolarHBondContact O-N 3.28Å; N226-Y228 VanDerWaalsContact O-N 3.17Å
227	E	98.3	Very high	97.7	Very high	20 Å²	20	26.4 Å²	26.4	9%	0.093	13%	0.134	C	C	.	.	S	Bend	trans	50.1	39.3	174.8	-59.6	-157	126.1	0	0	114	G229 S230 S257 D258 N276	E227-G229 PolarHBondContact O-N 2.81Å; E227-G229 VanDerWaalsContact O-N 3.11Å; E227-S230 WeakPolarHBondContact O-CB 3.38Å; E227-S230 PolarHBondContact O-N 2.92Å; E227-S230 PolarHBondContact O-OG 3.19Å; E227-S257 WeakPolarHBondContact CA-O 3.37Å; E227-S257 PolarHBondContact N-O 2.83Å; E227-D258 WeakPolarHBondContact CA-OD1 3.47Å; E227-N276 VanDerWaalsContact CD-ND2 3.34Å; E227-N276 VanDerWaalsContact CG-ND2 3.27Å; E227-N276 WeakPolarHBondContact CG-ND2 3.31Å; E227-N276 WeakPolarHBondContact OE1-CB 3.23Å; E227-N276 PolarHBondContact OE1-ND2 2.76Å
228	Y	98.4	Very high	97.8	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.008	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-59.1	-28.6	-175	-166.7	-104.5	0	0	0	112.7	R187 N226 S230 F231 N232 D234 Y237 M238 D258	R187-Y228 HydrophobicContact CB-CE2 4.24Å; R187-Y228 WeakPolarHBondContact O-CE2 3.38Å; R187-Y228 PolarHBondContact O-OH 2.97Å; R187-Y228 VanDerWaalsContact O-OH 3.07Å; N226-Y228 PolarHBondContact O-N 3.28Å; N226-Y228 VanDerWaalsContact O-N 3.17Å; Y228-S230 PolarHBondContact O-N 3.27Å; Y228-F231 HydrophobicContact CD2-CB 4.43Å; Y228-F231 HydrophobicContact CD2-CD1 4.28Å; Y228-F231 HydrophobicContact CE2-CB 4.48Å; Y228-F231 AromaticContact CE2-CD1 3.55Å; Y228-F231 HydrophobicContact CE2-CD1 3.55Å; Y228-F231 HydrophobicContact CE2-CE1 4.22Å; Y228-F231 HydrophobicContact CE2-CG 4.4Å; Y228-F231 AromaticContact CZ-CD1 3.98Å; Y228-F231 CarbonylContact O-C 3.51Å; Y228-F231 WeakPolarHBondContact O-CA 3.27Å; Y228-F231 PolarHBondContact O-N 3.35Å; Y228-N232 WeakPolarHBondContact O-CA 3.4Å; Y228-N232 PolarHBondContact O-N 2.96Å; Y228-D234 WeakPolarHBondContact CE1-O 3.35Å; Y228-D234 PolarHBondContact OH-N 3.05Å; Y228-D234 PolarHBondContact OH-O 3.21Å; Y228-D234 VanDerWaalsContact OH-O 3.07Å; Y228-Y237 AromaticContact CD2-CD1 3.83Å; Y228-Y237 HydrophobicContact CD2-CD1 3.83Å; Y228-Y237 AromaticContact CD2-CE1 3.99Å; Y228-Y237 HydrophobicContact CD2-CE1 3.99Å; Y228-Y237 HydrophobicContact CE1-CD1 4.42Å; Y228-Y237 AromaticContact CE2-CD1 3.32Å; Y228-Y237 HydrophobicContact CE2-CD1 3.32Å; Y228-Y237 AromaticContact CE2-CE1 3.73Å; Y228-Y237 HydrophobicContact CE2-CE1 3.73Å; Y228-Y237 HydrophobicContact CE2-CG 4.38Å; Y228-Y237 AromaticContact CZ-CD1 3.65Å; Y228-M238 VanDerWaalsContact CB-SD 3.51Å; Y228-M238 HydrophobicContact CD1-CG 3.37Å; Y228-M238 HydrophobicContact CD1-SD 4Å; Y228-M238 HydrophobicContact CD2-SD 4.21Å; Y228-M238 HydrophobicContact CE1-CG 4Å; Y228-M238 HydrophobicContact CG-CG 3.67Å; Y228-M238 HydrophobicContact CG-SD 3.62Å; Y228-D258 PolarHBondContact N-OD1 2.77Å
229	G	97.7	Very high	97.8	Very high	7 Å²	7	29.5 Å²	29.5	7%	0.072	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-60.6	-26.1	177.1	0	0	0	0	0	113.9	E227 F231 D258 N262	E227-G229 PolarHBondContact O-N 2.81Å; E227-G229 VanDerWaalsContact O-N 3.11Å; G229-F231 VanDerWaalsContact C-N 3.29Å; G229-D258 WeakPolarHBondContact CA-OD1 3.27Å; G229-D258 PolarHBondContact N-OD1 3.11Å; G229-N262 WeakPolarHBondContact CA-O 3.45Å
230	S	95.5	Very high	97.8	Very high	36 Å²	36	32.8 Å²	32.8	25%	0.252	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-75.5	-18.3	173.6	71.8	0	0	0	0	113.3	E227 Y228	E227-S230 WeakPolarHBondContact O-CB 3.38Å; E227-S230 PolarHBondContact O-N 2.92Å; E227-S230 PolarHBondContact O-OG 3.19Å; Y228-S230 PolarHBondContact O-N 3.27Å
231	F	96.6	Very high	97.8	Very high	7 Å²	7	32.8 Å²	32.8	3%	0.031	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-60.4	-180	-173.2	-93.2	0	0	0	110.9	L186 R187 T188 Y228 G229 K233 W519 I521	L186-F231 WeakPolarHBondContact O-CZ 3.08Å; R187-F231 HydrophobicContact CB-CD1 4.17Å; R187-F231 HydrophobicContact CB-CE1 3.72Å; R187-F231 HydrophobicContact CB-CZ 3.94Å; R187-F231 WeakPolarHBondContact O-CE1 3.33Å; T188-F231 HydrophobicContact CG2-CE1 4.47Å; Y228-F231 HydrophobicContact CD2-CB 4.43Å; Y228-F231 HydrophobicContact CD2-CD1 4.28Å; Y228-F231 HydrophobicContact CE2-CB 4.48Å; Y228-F231 AromaticContact CE2-CD1 3.55Å; Y228-F231 HydrophobicContact CE2-CD1 3.55Å; Y228-F231 HydrophobicContact CE2-CE1 4.22Å; Y228-F231 HydrophobicContact CE2-CG 4.4Å; Y228-F231 AromaticContact CZ-CD1 3.98Å; Y228-F231 CarbonylContact O-C 3.51Å; Y228-F231 WeakPolarHBondContact O-CA 3.27Å; Y228-F231 PolarHBondContact O-N 3.35Å; G229-F231 VanDerWaalsContact C-N 3.29Å; F231-K233 HydrophobicContact CD1-CB 4.24Å; F231-K233 HydrophobicContact CD1-CG 4.06Å; F231-K233 HydrophobicContact CE1-CB 3.94Å; F231-K233 HydrophobicContact CE1-CG 3.94Å; F231-K233 HydrophobicContact CZ-CG 4.39Å; F231-K233 VanDerWaalsContact O-CD 3.29Å; F231-K233 WeakPolarHBondContact O-CD 3.36Å; F231-K233 WeakPolarHBondContact O-CE 3.21Å; F231-K233 VanDerWaalsContact O-CG 3.27Å; F231-K233 WeakPolarHBondContact O-CG 3.49Å; F231-K233 PolarHBondContact O-N 3.49Å; F231-W519 HydrophobicContact CE1-CE3 4.11Å; F231-W519 AromaticContact CE1-CZ3 3.91Å; F231-W519 HydrophobicContact CE1-CZ3 3.91Å; F231-W519 AromaticContact CE2-CE3 3.63Å; F231-W519 HydrophobicContact CE2-CE3 3.63Å; F231-W519 HydrophobicContact CE2-CZ3 4.17Å; F231-W519 AromaticContact CZ-CE3 3.38Å; F231-W519 HydrophobicContact CZ-CE3 3.38Å; F231-W519 AromaticContact CZ-CZ3 3.43Å; F231-W519 HydrophobicContact CZ-CZ3 3.43Å; F231-W519 VanDerWaalsContact CZ-CZ3 3.43Å; F231-I521 HydrophobicContact CE2-CD1 4.03Å; F231-I521 HydrophobicContact CE2-CG1 4.33Å
232	N	94.7	Very high	97.8	Very high	54 Å²	54	34.2 Å²	34.2	29%	0.289	17%	0.172	S	C	.	.			trans	40.3	54.7	167.8	-172.3	35.4	0	0	0	114.7	Y228 S265	Y228-N232 WeakPolarHBondContact O-CA 3.4Å; Y228-N232 PolarHBondContact O-N 2.96Å; N232-S265 VanDerWaalsContact ND2-CB 3.32Å; N232-S265 WeakPolarHBondContact ND2-CB 3.43Å; N232-S265 PolarHBondContact ND2-OG 3.22Å
233	K	96.3	Very high	97.8	Very high	128 Å²	128	39.4 Å²	39.4	56%	0.557	20%	0.195	S	C	*	.			trans	-102.1	-15.5	177.8	-58.6	-52.7	-173	175.3	0	113.9	F231 W519	F231-K233 HydrophobicContact CD1-CB 4.24Å; F231-K233 HydrophobicContact CD1-CG 4.06Å; F231-K233 HydrophobicContact CE1-CB 3.94Å; F231-K233 HydrophobicContact CE1-CG 3.94Å; F231-K233 HydrophobicContact CZ-CG 4.39Å; F231-K233 VanDerWaalsContact O-CD 3.29Å; F231-K233 WeakPolarHBondContact O-CD 3.36Å; F231-K233 WeakPolarHBondContact O-CE 3.21Å; F231-K233 VanDerWaalsContact O-CG 3.27Å; F231-K233 WeakPolarHBondContact O-CG 3.49Å; F231-K233 PolarHBondContact O-N 3.49Å; K233-W519 HydrophobicContact CB-CE3 4.25Å; K233-W519 HydrophobicContact CB-CH2 4.35Å; K233-W519 HydrophobicContact CB-CZ3 3.67Å; K233-W519 HydrophobicContact CD-CE3 4.33Å; K233-W519 HydrophobicContact CD-CZ3 4.49Å; K233-W519 HydrophobicContact CG-CD2 4.38Å; K233-W519 HydrophobicContact CG-CE3 3.44Å; K233-W519 VanDerWaalsContact CG-CE3 3.44Å; K233-W519 HydrophobicContact CG-CH2 4.29Å; K233-W519 HydrophobicContact CG-CZ3 3.4Å
234	D	97.4	Very high	97.8	Very high	28 Å²	28	39.4 Å²	39.4	15%	0.15	20%	0.195	C	C	.	.			trans	-142	110.8	178.5	-176.4	-12.1	0	0	0	111.1	T188 T189 Y228 T236 Y237	T188-D234 HydrophobicContact CG2-CB 4.2Å; T189-D234 VanDerWaalsContact CB-OD2 3.31Å; T189-D234 WeakPolarHBondContact CB-OD2 3.48Å; T189-D234 WeakPolarHBondContact CG2-OD2 3.17Å; T189-D234 PolarHBondContact N-OD2 3.17Å; T189-D234 PolarHBondContact OG1-OD2 2.93Å; Y228-D234 WeakPolarHBondContact CE1-O 3.35Å; Y228-D234 PolarHBondContact OH-N 3.05Å; Y228-D234 PolarHBondContact OH-O 3.21Å; Y228-D234 VanDerWaalsContact OH-O 3.07Å; D234-T236 PolarHBondContact O-N 2.97Å; D234-T236 WeakPolarHBondContact OD1-CB 3.17Å; D234-T236 PolarHBondContact OD1-N 3Å; D234-T236 PolarHBondContact OD1-OG1 3.33Å; D234-Y237 PolarHBondContact O-N 3.24Å
235	K	96.3	Very high	97.8	Very high	177 Å²	177	39.4 Å²	39.4	77%	0.77	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-16.6	-178.6	-63.7	-176.8	179.4	179.1	0	113.7	P239	K235-P239 WeakPolarHBondContact O-CD 3.21Å
236	T	97.9	Very high	97.8	Very high	79 Å²	79	43.2 Å²	43.2	49%	0.485	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-15.2	-178.3	65.5	0	0	0	0	112.9	T189 D234 P239 Y240	T189-T236 WeakPolarHBondContact CG2-OG1 3.35Å; T189-T236 PolarHBondContact OG1-OG1 3.31Å; D234-T236 PolarHBondContact O-N 2.97Å; D234-T236 WeakPolarHBondContact OD1-CB 3.17Å; D234-T236 PolarHBondContact OD1-N 3Å; D234-T236 PolarHBondContact OD1-OG1 3.33Å; T236-P239 WeakPolarHBondContact O-CD 3.48Å; T236-Y240 WeakPolarHBondContact O-CB 3.25Å; T236-Y240 PolarHBondContact O-N 3.31Å; T236-Y240 VanDerWaalsContact O-N 3.1Å
237	Y	98.5	Very high	97.7	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69.1	-45.1	-176.3	177.2	-114.4	0	0	0	113.8	P163 R187 T188 F193 E225 Y228 D234 Y240 L241	P163-Y237 WeakPolarHBondContact CG-OH 3.43Å; R187-Y237 HydrophobicContact CB-CE1 4.1Å; T188-Y237 VanDerWaalsContact C-CD2 3.48Å; T188-Y237 VanDerWaalsContact O-CD2 3.29Å; T188-Y237 WeakPolarHBondContact O-CD2 3.42Å; F193-Y237 HydrophobicContact CD1-CE2 4.2Å; F193-Y237 AromaticContact CE1-CE2 3.69Å; F193-Y237 HydrophobicContact CE1-CE2 3.69Å; F193-Y237 AromaticContact CE1-CZ 3.79Å; F193-Y237 WeakPolarHBondContact CE1-OH 3.3Å; E225-Y237 HydrophobicContact CG-CE1 3.8Å; Y228-Y237 AromaticContact CD2-CD1 3.83Å; Y228-Y237 HydrophobicContact CD2-CD1 3.83Å; Y228-Y237 AromaticContact CD2-CE1 3.99Å; Y228-Y237 HydrophobicContact CD2-CE1 3.99Å; Y228-Y237 HydrophobicContact CE1-CD1 4.42Å; Y228-Y237 AromaticContact CE2-CD1 3.32Å; Y228-Y237 HydrophobicContact CE2-CD1 3.32Å; Y228-Y237 AromaticContact CE2-CE1 3.73Å; Y228-Y237 HydrophobicContact CE2-CE1 3.73Å; Y228-Y237 HydrophobicContact CE2-CG 4.38Å; Y228-Y237 AromaticContact CZ-CD1 3.65Å; D234-Y237 PolarHBondContact O-N 3.24Å; Y237-Y240 WeakPolarHBondContact O-CA 3.48Å; Y237-Y240 VanDerWaalsContact O-CB 3.29Å; Y237-Y240 WeakPolarHBondContact O-CB 3.23Å; Y237-Y240 PolarHBondContact O-N 2.79Å; Y237-Y240 VanDerWaalsContact O-N 3.11Å; Y237-L241 HydrophobicContact CD1-CD1 4.38Å; Y237-L241 HydrophobicContact CD2-CG 4.37Å; Y237-L241 HydrophobicContact CE1-CD1 3.69Å; Y237-L241 HydrophobicContact CE1-CG 4.34Å; Y237-L241 HydrophobicContact CE2-CD1 4.01Å; Y237-L241 HydrophobicContact CE2-CD2 4.03Å; Y237-L241 HydrophobicContact CE2-CG 3.86Å; Y237-L241 VanDerWaalsContact CZ-CD1 3.46Å; Y237-L241 PolarHBondContact O-N 3.16Å; Y237-L241 WeakPolarHBondContact OH-CD1 3.33Å
238	M	98.5	Very high	97.7	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.039	25%	0.247	C	C	.	.	H	α-helix	trans	-63.3	-45	178.1	-69.7	-61.4	-71.9	0	0	113	V224 E225 Y228 Y240 L241 H242 T256	V224-M238 HydrophobicContact CG1-CE 4.39Å; E225-M238 HydrophobicContact CB-CE 3.7Å; E225-M238 HydrophobicContact CB-SD 3.4Å; E225-M238 WeakPolarHBondContact CB-SD 2.86Å; E225-M238 HydrophobicContact CG-SD 3.92Å; Y228-M238 VanDerWaalsContact CB-SD 3.51Å; Y228-M238 HydrophobicContact CD1-CG 3.37Å; Y228-M238 HydrophobicContact CD1-SD 4Å; Y228-M238 HydrophobicContact CD2-SD 4.21Å; Y228-M238 HydrophobicContact CE1-CG 4Å; Y228-M238 HydrophobicContact CG-CG 3.67Å; Y228-M238 HydrophobicContact CG-SD 3.62Å; M238-Y240 VanDerWaalsContact C-N 3.28Å; M238-Y240 PolarHBondContact O-N 2.69Å; M238-L241 PolarHBondContact O-N 3.16Å; M238-H242 WeakPolarHBondContact O-CB 3.48Å; M238-H242 PolarHBondContact O-N 3.5Å; M238-T256 HydrophobicContact CE-CG2 3.58Å
239	P	98.4	Very high	97.7	Very high	63 Å²	63	53.1 Å²	53.1	41%	0.409	26%	0.26	S	S	.	.	H	α-helix	trans	-58.1	-36.8	169.2	-27.2	35	0	0	0	113.9	K235 T236 K243	K235-P239 WeakPolarHBondContact O-CD 3.21Å; T236-P239 WeakPolarHBondContact O-CD 3.48Å; P239-K243 WeakPolarHBondContact O-CB 3.44Å; P239-K243 PolarHBondContact O-N 3.2Å; P239-K243 VanDerWaalsContact O-N 3.09Å
240	Y	98.6	Very high	97.7	Very high	68 Å²	68	52.8 Å²	52.8	27%	0.267	26%	0.257	S	S	.	.	H	α-helix	trans	-61.4	-53.7	177.2	178.1	-82.6	0	0	0	111.4	T194 E198 T236 Y237 M238 H242 K243 A244	T194-Y240 HydrophobicContact CG2-CD1 4.11Å; T194-Y240 HydrophobicContact CG2-CE1 3.8Å; T194-Y240 HydrophobicContact CG2-CE2 4.32Å; E198-Y240 WeakPolarHBondContact CG-OH 3.38Å; E198-Y240 WeakPolarHBondContact OE1-CE1 3.34Å; E198-Y240 VanDerWaalsContact OE1-CZ 3.28Å; E198-Y240 PolarHBondContact OE1-OH 3.49Å; T236-Y240 WeakPolarHBondContact O-CB 3.25Å; T236-Y240 PolarHBondContact O-N 3.31Å; T236-Y240 VanDerWaalsContact O-N 3.1Å; Y237-Y240 WeakPolarHBondContact O-CA 3.48Å; Y237-Y240 VanDerWaalsContact O-CB 3.29Å; Y237-Y240 WeakPolarHBondContact O-CB 3.23Å; Y237-Y240 PolarHBondContact O-N 2.79Å; Y237-Y240 VanDerWaalsContact O-N 3.11Å; M238-Y240 VanDerWaalsContact C-N 3.28Å; M238-Y240 PolarHBondContact O-N 2.69Å; Y240-H242 PolarHBondContact O-N 2.76Å; Y240-K243 WeakPolarHBondContact O-CB 3.5Å; Y240-K243 PolarHBondContact O-N 3.09Å; Y240-K243 VanDerWaalsContact O-N 3.16Å; Y240-A244 HydrophobicContact CE1-CB 4.49Å; Y240-A244 PolarHBondContact O-N 3.26Å
241	L	98.6	Very high	97.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62	-42.5	179.5	-71.7	-176.8	0	0	0	112.6	P163 V197 F201 V224 E225 Y237 M238 K243 A244 L245	P163-L241 HydrophobicContact CG-CD2 4.31Å; V197-L241 HydrophobicContact CG1-CD2 3.73Å; F201-L241 HydrophobicContact CE2-CD2 4.05Å; V224-L241 HydrophobicContact CG1-CB 3.82Å; E225-L241 HydrophobicContact CB-CD1 3.77Å; E225-L241 HydrophobicContact CG-CD1 3.3Å; Y237-L241 HydrophobicContact CD1-CD1 4.38Å; Y237-L241 HydrophobicContact CD2-CG 4.37Å; Y237-L241 HydrophobicContact CE1-CD1 3.69Å; Y237-L241 HydrophobicContact CE1-CG 4.34Å; Y237-L241 HydrophobicContact CE2-CD1 4.01Å; Y237-L241 HydrophobicContact CE2-CD2 4.03Å; Y237-L241 HydrophobicContact CE2-CG 3.86Å; Y237-L241 VanDerWaalsContact CZ-CD1 3.46Å; Y237-L241 PolarHBondContact O-N 3.16Å; Y237-L241 WeakPolarHBondContact OH-CD1 3.33Å; M238-L241 PolarHBondContact O-N 3.16Å; L241-K243 VanDerWaalsContact C-N 3.26Å; L241-K243 PolarHBondContact O-N 3.05Å; L241-A244 WeakPolarHBondContact O-CB 3.49Å; L241-A244 PolarHBondContact O-N 3.29Å; L241-A244 VanDerWaalsContact O-N 3.1Å; L241-L245 WeakPolarHBondContact O-CG 3.36Å; L241-L245 PolarHBondContact O-N 3.23Å
242	H	98.6	Very high	97.9	Very high	30 Å²	30	54.3 Å²	54.3	14%	0.139	26%	0.264	C	S	.	.	H	α-helix	trans	-53.8	-48.1	175.1	177.3	-162.8	0	0	0	110.4	V224 M238 Y240 L245 L246 L254 T268 K269 V271	V224-H242 HydrophobicContact CG1-CB 4.17Å; M238-H242 WeakPolarHBondContact O-CB 3.48Å; M238-H242 PolarHBondContact O-N 3.5Å; Y240-H242 PolarHBondContact O-N 2.76Å; H242-L245 PolarHBondContact O-N 3.29Å; H242-L246 WeakPolarHBondContact NE2-CD1 3.34Å; H242-L246 WeakPolarHBondContact O-CG 3.15Å; H242-L246 PolarHBondContact O-N 3.16Å; H242-L254 WeakPolarHBondContact CD2-CD1 3.41Å; H242-T268 HydrophobicContact CB-CG2 4.49Å; H242-K269 PolarHBondContact CE1-O 2.99Å; H242-K269 VanDerWaalsContact CE1-O 3.25Å; H242-K269 PolarHBondContact ND1-O 2.87Å; H242-V271 VanDerWaalsContact CE1-CG2 3.46Å; H242-V271 WeakPolarHBondContact CE1-CG2 3.33Å
243	K	98.4	Very high	98	Very high	111 Å²	111	53 Å²	53	48%	0.483	26%	0.257	S	S	.	.	H	α-helix	trans	-66.4	-38.1	177.6	-162.1	-177.7	-164.6	-176.7	0	112.5	P239 Y240 L241 L245 L246 R247	P239-K243 WeakPolarHBondContact O-CB 3.44Å; P239-K243 PolarHBondContact O-N 3.2Å; P239-K243 VanDerWaalsContact O-N 3.09Å; Y240-K243 WeakPolarHBondContact O-CB 3.5Å; Y240-K243 PolarHBondContact O-N 3.09Å; Y240-K243 VanDerWaalsContact O-N 3.16Å; L241-K243 VanDerWaalsContact C-N 3.26Å; L241-K243 PolarHBondContact O-N 3.05Å; K243-L245 VanDerWaalsContact C-N 3.35Å; K243-L246 PolarHBondContact O-N 2.8Å; K243-R247 HydrophobicContact CG-CG 4.33Å; K243-R247 WeakPolarHBondContact O-CB 3.34Å; K243-R247 WeakPolarHBondContact O-CD 3.28Å; K243-R247 WeakPolarHBondContact O-CG 3.44Å; K243-R247 PolarHBondContact O-N 3.3Å
244	A	98.4	Very high	98.1	Very high	2 Å²	2	47.5 Å²	47.5	2%	0.017	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-41.3	179.2	0	0	0	0	0	112	E198 F201 Y240 L241 R248	E198-A244 WeakPolarHBondContact OE1-CB 3.26Å; F201-A244 HydrophobicContact CD2-CB 4.36Å; Y240-A244 HydrophobicContact CE1-CB 4.49Å; Y240-A244 PolarHBondContact O-N 3.26Å; L241-A244 WeakPolarHBondContact O-CB 3.49Å; L241-A244 PolarHBondContact O-N 3.29Å; L241-A244 VanDerWaalsContact O-N 3.1Å; A244-R248 WeakPolarHBondContact O-CG 3.46Å; A244-R248 PolarHBondContact O-N 2.97Å; A244-R248 PolarHBondContact O-NH1 2.62Å
245	L	98.7	Very high	98.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-67.7	-49.1	176.2	-68.5	171	0	0	0	112	F201 I205 V224 L241 H242 K243 R247 R248 G249 I250 L254	F201-L245 HydrophobicContact CD2-CD2 4.21Å; F201-L245 HydrophobicContact CE1-CD2 4.5Å; F201-L245 HydrophobicContact CE2-CD2 3.82Å; F201-L245 HydrophobicContact CE2-CG 4.18Å; F201-L245 HydrophobicContact CZ-CD2 3.98Å; I205-L245 HydrophobicContact CD1-CD2 3.67Å; I205-L245 HydrophobicContact CG1-CD2 4.41Å; V224-L245 HydrophobicContact CB-CD1 4.24Å; V224-L245 HydrophobicContact CG1-CD1 4.19Å; V224-L245 HydrophobicContact CG2-CD1 4.15Å; L241-L245 WeakPolarHBondContact O-CG 3.36Å; L241-L245 PolarHBondContact O-N 3.23Å; H242-L245 PolarHBondContact O-N 3.29Å; K243-L245 VanDerWaalsContact C-N 3.35Å; L245-R247 VanDerWaalsContact C-N 3.35Å; L245-R247 PolarHBondContact O-N 3.05Å; L245-R248 PolarHBondContact O-N 3.04Å; L245-R248 VanDerWaalsContact O-N 3.17Å; L245-G249 PolarHBondContact O-N 2.89Å; L245-I250 HydrophobicContact CB-CB 4.28Å; L245-I250 HydrophobicContact CB-CG1 4.23Å; L245-I250 HydrophobicContact CD2-CG1 4.29Å; L245-I250 PolarHBondContact O-N 3.21Å; L245-L254 HydrophobicContact CD1-CD2 4.46Å
246	L	98.4	Very high	98.3	Very high	85 Å²	85	37.8 Å²	37.8	45%	0.445	19%	0.19	S	C	.	.	H	α-helix	trans	-59.9	-44.2	179.8	-70.3	-179.4	0	0	0	112.2	H242 K243 R248 G249 I250 L254	H242-L246 WeakPolarHBondContact NE2-CD1 3.34Å; H242-L246 WeakPolarHBondContact O-CG 3.15Å; H242-L246 PolarHBondContact O-N 3.16Å; K243-L246 PolarHBondContact O-N 2.8Å; L246-R248 PolarHBondContact O-N 3.37Å; L246-G249 PolarHBondContact O-N 3.05Å; L246-G249 VanDerWaalsContact O-N 3.07Å; L246-I250 WeakPolarHBondContact CD2-O 3.32Å; L246-L254 HydrophobicContact CD2-CD1 3.74Å; L246-L254 HydrophobicContact CG-CD1 4.08Å
247	R	98.3	Very high	98.3	Very high	165 Å²	165	34 Å²	34	62%	0.623	17%	0.167	S	C	*	.	H	α-helix	trans	-62.1	-26.9	179.4	-77.6	170.4	166.9	-179.5	-11.6	113.3	K243 L245 G249	K243-R247 HydrophobicContact CG-CG 4.33Å; K243-R247 WeakPolarHBondContact O-CB 3.34Å; K243-R247 WeakPolarHBondContact O-CD 3.28Å; K243-R247 WeakPolarHBondContact O-CG 3.44Å; K243-R247 PolarHBondContact O-N 3.3Å; L245-R247 VanDerWaalsContact C-N 3.35Å; L245-R247 PolarHBondContact O-N 3.05Å; R247-G249 VanDerWaalsContact C-N 3.32Å
248	R	98.3	Very high	98.3	Very high	39 Å²	39	34.1 Å²	34.1	15%	0.147	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	6.6	178.8	-69.3	174.2	171.7	76.5	6.8	113.2	E198 D202 I205 I209 A244 L245 L246	E198-R248 VanDerWaalsContact CD-NH2 3.32Å; E198-R248 PolarHBondContact O-NH2 3.28Å; E198-R248 IonicContact OE1-NH1 3.46Å; E198-R248 PolarHBondContact OE1-NH1 3.39Å; E198-R248 IonicContact OE2-CZ 3.15Å; E198-R248 IonicContact OE2-NH1 2.81Å; E198-R248 PolarHBondContact OE2-NH1 3.03Å; E198-R248 IonicContact OE2-NH2 2.63Å; E198-R248 PolarHBondContact OE2-NH2 3.42Å; D202-R248 IonicContact OD1-CZ 3.13Å; D202-R248 IonicContact OD1-NE 2.6Å; D202-R248 PolarHBondContact OD1-NE 2.88Å; D202-R248 IonicContact OD1-NH2 2.71Å; D202-R248 PolarHBondContact OD1-NH2 3.42Å; D202-R248 IonicContact OD2-NH2 3.54Å; I205-R248 HydrophobicContact CB-CB 3.94Å; I205-R248 HydrophobicContact CG1-CB 4.23Å; I205-R248 HydrophobicContact CG2-CB 3.57Å; I205-R248 VanDerWaalsContact CG2-O 3.3Å; I205-R248 WeakPolarHBondContact CG2-O 3.44Å; I209-R248 WeakPolarHBondContact CD1-O 3.37Å; A244-R248 WeakPolarHBondContact O-CG 3.46Å; A244-R248 PolarHBondContact O-N 2.97Å; A244-R248 PolarHBondContact O-NH1 2.62Å; L245-R248 PolarHBondContact O-N 3.04Å; L245-R248 VanDerWaalsContact O-N 3.17Å; L246-R248 PolarHBondContact O-N 3.37Å
249	G	97.9	Very high	98.2	Very high	28 Å²	28	34.3 Å²	34.3	29%	0.289	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.5	15.9	172	0	0	0	0	0	114.9	Q212 L245 L246 R247 V251	Q212-G249 PolarHBondContact NE2-O 2.89Å; Q212-G249 PolarHBondContact OE1-O 3.12Å; L245-G249 PolarHBondContact O-N 2.89Å; L246-G249 PolarHBondContact O-N 3.05Å; L246-G249 VanDerWaalsContact O-N 3.07Å; R247-G249 VanDerWaalsContact C-N 3.32Å; G249-V251 PolarHBondContact O-N 3.23Å
250	I	98.4	Very high	97.9	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.165	C	C	.	.			trans	-70.8	119.5	164.6	-58.6	-58.1	0	0	0	108.9	I205 V208 Q212 V222 L245 L246 L254	I205-I250 HydrophobicContact CD1-CD1 4.12Å; I205-I250 HydrophobicContact CD1-CG1 4.1Å; I205-I250 HydrophobicContact CG2-CD1 3.79Å; I205-I250 HydrophobicContact CG2-CG1 3.93Å; V208-I250 HydrophobicContact CB-CD1 4.41Å; V208-I250 HydrophobicContact CG1-CD1 3.83Å; Q212-I250 VanDerWaalsContact OE1-CA 3.26Å; V222-I250 HydrophobicContact CB-CG2 4.06Å; V222-I250 HydrophobicContact CG1-CG2 4.42Å; V222-I250 HydrophobicContact CG2-CG2 3.95Å; L245-I250 HydrophobicContact CB-CB 4.28Å; L245-I250 HydrophobicContact CB-CG1 4.23Å; L245-I250 HydrophobicContact CD2-CG1 4.29Å; L245-I250 PolarHBondContact O-N 3.21Å; L246-I250 WeakPolarHBondContact CD2-O 3.32Å; I250-L254 HydrophobicContact CG2-CD2 3.69Å
251	V	96.8	Very high	97.5	Very high	65 Å²	65	39.4 Å²	39.4	39%	0.394	19%	0.19	S	C	.	.			trans	-121.1	-9.8	-175.5	-65.4	0	0	0	0	113.4	R214 G249	R214-V251 HydrophobicContact CB-CG2 4.15Å; R214-V251 HydrophobicContact CG-CG2 4.37Å; G249-V251 PolarHBondContact O-N 3.23Å
252	E	97.6	Very high	97.4	Very high	10 Å²	10	42.1 Å²	42.1	5%	0.047	20%	0.204	C	C	.	.	S	Bend	trans	-73.7	170.8	178.8	-55.7	-53.4	159	0	0	112.5	Q212 Y213 R214 V219 L254	Q212-E252 HydrophobicContact CB-CG 3.95Å; Q212-E252 WeakPolarHBondContact CB-OE1 3.32Å; Q212-E252 HydrophobicContact CG-CG 4Å; Y213-E252 WeakPolarHBondContact CA-OE1 3.36Å; Y213-E252 WeakPolarHBondContact CB-OE1 3.3Å; Y213-E252 PolarHBondContact N-OE1 2.9Å; R214-E252 WeakPolarHBondContact CB-OE1 3.36Å; R214-E252 WeakPolarHBondContact CG-OE1 3.43Å; R214-E252 PolarHBondContact N-OE1 3.31Å; V219-E252 WeakPolarHBondContact O-CG 3.5Å; E252-L254 PolarHBondContact O-N 3.33Å
253	L	98.1	Very high	97.3	Very high	26 Å²	26	40.7 Å²	40.7	14%	0.136	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	118.5	176.9	-177.5	139.7	0	0	0	109.9	L68 T70 F80 A221 V222 L255 L272	L68-L253 HydrophobicContact CB-CB 4.42Å; L68-L253 HydrophobicContact CD2-CB 4.29Å; L68-L253 HydrophobicContact CD2-CD1 4.34Å; L68-L253 HydrophobicContact CD2-CD2 4.29Å; L68-L253 HydrophobicContact CG-CD1 4.4Å; T70-L253 HydrophobicContact CG2-CD1 4.28Å; F80-L253 HydrophobicContact CE1-CD1 4.37Å; A221-L253 CarbonylContact C-O 3.58Å; A221-L253 WeakPolarHBondContact CA-O 3.33Å; A221-L253 HydrophobicContact CB-CB 4.31Å; A221-L253 HydrophobicContact CB-CD2 4.02Å; A221-L253 WeakPolarHBondContact CB-O 3.49Å; V222-L253 PolarHBondContact N-O 2.99Å; L253-L255 HydrophobicContact CD2-CB 4.28Å; L253-L255 HydrophobicContact CD2-CD2 4.31Å; L253-L272 HydrophobicContact CD2-CB 4.19Å; L253-L272 HydrophobicContact CD2-CD2 4.06Å
254	L	98.6	Very high	97.2	Very high	12 Å²	12	39 Å²	39	6%	0.063	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	140.7	173.5	-67.4	-178.6	0	0	0	110.3	V222 V224 H242 L245 L246 I250 E252 V271 L272	V222-L254 HydrophobicContact CB-CD2 3.91Å; V222-L254 HydrophobicContact CG1-CD2 4.37Å; V222-L254 VanDerWaalsContact O-CA 3.3Å; V222-L254 WeakPolarHBondContact O-CA 3.33Å; V222-L254 WeakPolarHBondContact O-CD2 3.26Å; V224-L254 HydrophobicContact CG2-CB 4.06Å; V224-L254 HydrophobicContact CG2-CD1 4.3Å; V224-L254 HydrophobicContact CG2-CD2 4.28Å; V224-L254 HydrophobicContact CG2-CG 4.46Å; H242-L254 WeakPolarHBondContact CD2-CD1 3.41Å; L245-L254 HydrophobicContact CD1-CD2 4.46Å; L246-L254 HydrophobicContact CD2-CD1 3.74Å; L246-L254 HydrophobicContact CG-CD1 4.08Å; I250-L254 HydrophobicContact CG2-CD2 3.69Å; E252-L254 PolarHBondContact O-N 3.33Å; L254-V271 HydrophobicContact CB-CB 4.49Å; L254-V271 HydrophobicContact CB-CG1 4.02Å; L254-V271 HydrophobicContact CB-CG2 4.03Å; L254-V271 WeakPolarHBondContact O-CG1 3.39Å; L254-L272 PolarHBondContact O-N 2.82Å
255	L	98.8	Very high	97	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	157.5	174.4	67.8	88	0	0	0	113.9	I158 A221 V222 Q223 V224 L253 L272 L298 M300	I158-L255 HydrophobicContact CG2-CD2 4.26Å; A221-L255 HydrophobicContact CB-CD2 4.02Å; V222-L255 PolarHBondContact O-N 3.03Å; Q223-L255 CarbonylContact C-O 3.58Å; Q223-L255 VanDerWaalsContact CA-O 3.29Å; Q223-L255 WeakPolarHBondContact CA-O 3.45Å; Q223-L255 HydrophobicContact CB-CD1 3.7Å; Q223-L255 HydrophobicContact CB-CG 4.24Å; Q223-L255 HydrophobicContact CG-CD1 3.78Å; V224-L255 PolarHBondContact N-O 3.11Å; L253-L255 HydrophobicContact CD2-CB 4.28Å; L253-L255 HydrophobicContact CD2-CD2 4.31Å; L255-L272 CarbonylContact C-O 3.54Å; L255-L272 WeakPolarHBondContact CA-O 3.5Å; L255-L272 HydrophobicContact CB-CB 4.16Å; L255-L272 HydrophobicContact CB-CD2 4.43Å; L255-L272 WeakPolarHBondContact CB-O 3.38Å; L255-L298 HydrophobicContact CD2-CD2 4.12Å; L255-M300 HydrophobicContact CD1-CE 3.71Å; L255-M300 HydrophobicContact CD1-CG 4.36Å; L255-M300 HydrophobicContact CD1-SD 4.44Å; L255-M300 HydrophobicContact CD2-CE 3.43Å; L255-M300 VanDerWaalsContact CD2-CE 3.43Å; L255-M300 HydrophobicContact CG-CE 4.23Å
256	T	98.7	Very high	96.9	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	159.3	161.4	65.6	0	0	0	0	109	M238 T268 V271 L272 A274	M238-T256 HydrophobicContact CE-CG2 3.58Å; T256-T268 HydrophobicContact CG2-CG2 3.89Å; T256-V271 HydrophobicContact CG2-CG1 3.79Å; T256-L272 PolarHBondContact N-O 3.23Å; T256-A274 WeakPolarHBondContact O-CA 3.38Å; T256-A274 VanDerWaalsContact O-CB 3.28Å; T256-A274 WeakPolarHBondContact O-CB 3.42Å; T256-A274 PolarHBondContact O-N 2.83Å
257	S	98.2	Very high	96.9	Very high	1 Å²	1	41 Å²	41	1%	0.007	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	135.4	169.7	70.6	0	0	0	0	110.8	R160 Q223 E227 A274 N276	R160-S257 PolarHBondContact NH2-OG 3.43Å; R160-S257 VanDerWaalsContact NH2-OG 3.14Å; Q223-S257 PolarHBondContact NE2-OG 3.42Å; Q223-S257 PolarHBondContact OE1-OG 3.16Å; E227-S257 WeakPolarHBondContact CA-O 3.37Å; E227-S257 PolarHBondContact N-O 2.83Å; S257-A274 WeakPolarHBondContact CA-O 3.43Å; S257-N276 WeakPolarHBondContact CB-OD1 3.45Å; S257-N276 PolarHBondContact OG-ND2 3.48Å
258	D	98.3	Very high	96.8	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	154	-177	-69.2	-81.1	0	0	0	110.9	E227 Y228 G229 N262 V263 G266 A274 I275 N276	E227-D258 WeakPolarHBondContact CA-OD1 3.47Å; Y228-D258 PolarHBondContact N-OD1 2.77Å; G229-D258 WeakPolarHBondContact CA-OD1 3.27Å; G229-D258 PolarHBondContact N-OD1 3.11Å; D258-N262 HydrophobicContact CB-CB 4.32Å; D258-V263 HydrophobicContact CB-CB 4.16Å; D258-G266 WeakPolarHBondContact OD2-CA 3.11Å; D258-A274 PolarHBondContact N-O 2.81Å; D258-I275 CarbonylContact O-C 3.55Å; D258-I275 VanDerWaalsContact O-CA 3.28Å; D258-I275 WeakPolarHBondContact O-CA 3.48Å; D258-N276 PolarHBondContact O-N 2.7Å
259	G	95.8	Very high	96.6	Very high	12 Å²	12	40.9 Å²	40.9	12%	0.124	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	155.3	167.2	0	0	0	0	0	112.9	K261 N262 V263	G259-K261 VanDerWaalsContact C-N 3.26Å; G259-K261 PolarHBondContact O-N 2.88Å; G259-K261 VanDerWaalsContact O-N 3.07Å; G259-N262 WeakPolarHBondContact O-CA 3.24Å; G259-N262 PolarHBondContact O-N 2.85Å; G259-V263 PolarHBondContact O-N 3.09Å
260	E	91.6	Very high	96.5	Very high	58 Å²	58	43.2 Å²	43.2	27%	0.271	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45	-46.8	-176.4	179.4	180	164	0	0	114.3	N262 V263 I275 T284 Q287	E260-N262 VanDerWaalsContact C-N 3.31Å; E260-V263 WeakPolarHBondContact O-CG1 3.34Å; E260-I275 HydrophobicContact CB-CD1 3.83Å; E260-I275 HydrophobicContact CG-CD1 4.25Å; E260-T284 WeakPolarHBondContact CG-O 3.33Å; E260-Q287 WeakPolarHBondContact O-CB 3.38Å
261	K	91.3	Very high	96.4	Very high	180 Å²	180	43.9 Å²	43.9	78%	0.783	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-18.6	-176.8	-64.4	177.9	177.5	174.7	0	113.1	G259	G259-K261 VanDerWaalsContact C-N 3.26Å; G259-K261 PolarHBondContact O-N 2.88Å; G259-K261 VanDerWaalsContact O-N 3.07Å
262	N	96	Very high	96.5	Very high	58 Å²	58	41.3 Å²	41.3	31%	0.31	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-17.2	-169.7	-64.6	-25.1	0	0	0	112.6	G229 D258 G259 E260 L264 S265 G266	G229-N262 WeakPolarHBondContact CA-O 3.45Å; D258-N262 HydrophobicContact CB-CB 4.32Å; G259-N262 WeakPolarHBondContact O-CA 3.24Å; G259-N262 PolarHBondContact O-N 2.85Å; E260-N262 VanDerWaalsContact C-N 3.31Å; N262-L264 PolarHBondContact O-N 2.78Å; N262-L264 VanDerWaalsContact O-N 3.17Å; N262-S265 WeakPolarHBondContact O-CA 3.39Å; N262-S265 WeakPolarHBondContact O-CB 3.38Å; N262-S265 PolarHBondContact O-N 3.14Å; N262-G266 PolarHBondContact O-N 3.36Å
263	V	96.3	Very high	96.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-56.9	-33.6	-177.3	73.2	0	0	0	0	114.1	D258 G259 E260 S265 G266 H267 A273 Q287 L288	D258-V263 HydrophobicContact CB-CB 4.16Å; G259-V263 PolarHBondContact O-N 3.09Å; E260-V263 WeakPolarHBondContact O-CG1 3.34Å; V263-S265 PolarHBondContact O-N 3.17Å; V263-G266 PolarHBondContact O-N 3.12Å; V263-H267 PolarHBondContact O-N 3.25Å; V263-H267 PolarHBondContact O-ND1 2.75Å; V263-A273 HydrophobicContact CG2-CB 4.12Å; V263-Q287 HydrophobicContact CG1-CB 3.72Å; V263-L288 HydrophobicContact CG2-CD1 3.91Å
264	L	95.8	Very high	96.5	Very high	75 Å²	75	39.6 Å²	39.6	39%	0.393	22%	0.215	S	C	.	.	H	α-helix	trans	-61.5	-26.1	175.7	-66.9	-178.9	0	0	0	112.7	N262 H267 Q287 K290 V291	N262-L264 PolarHBondContact O-N 2.78Å; N262-L264 VanDerWaalsContact O-N 3.17Å; L264-H267 PolarHBondContact O-CE1 3.4Å; L264-H267 PolarHBondContact O-ND1 3.42Å; L264-Q287 HydrophobicContact CG-CB 4.38Å; L264-K290 HydrophobicContact CD2-CB 4.12Å; L264-K290 HydrophobicContact CD2-CD 4.48Å; L264-V291 HydrophobicContact CD2-CG2 3.82Å
265	S	96.1	Very high	96.5	Very high	53 Å²	53	39.1 Å²	39.1	37%	0.371	21%	0.212	S	C	.	.	H	α-helix	trans	-102.5	-23.8	-176.6	-66.2	0	0	0	0	113.4	N232 N262 V263	N232-S265 VanDerWaalsContact ND2-CB 3.32Å; N232-S265 WeakPolarHBondContact ND2-CB 3.43Å; N232-S265 PolarHBondContact ND2-OG 3.22Å; N262-S265 WeakPolarHBondContact O-CA 3.39Å; N262-S265 WeakPolarHBondContact O-CB 3.38Å; N262-S265 PolarHBondContact O-N 3.14Å; V263-S265 PolarHBondContact O-N 3.17Å
266	G	96.4	Very high	96.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-96.8	-19.4	-176.5	0	0	0	0	0	115.2	D258 N262 V263	D258-G266 WeakPolarHBondContact OD2-CA 3.11Å; N262-G266 PolarHBondContact O-N 3.36Å; V263-G266 PolarHBondContact O-N 3.12Å
267	H	96.6	Very high	96.3	Very high	77 Å²	77	39.7 Å²	39.7	36%	0.356	22%	0.215	S	C	.	.			trans	-64.5	154.4	178.5	78.9	-75.6	0	0	0	112.8	V263 L264 A273 V291	V263-H267 PolarHBondContact O-N 3.25Å; V263-H267 PolarHBondContact O-ND1 2.75Å; L264-H267 PolarHBondContact O-CE1 3.4Å; L264-H267 PolarHBondContact O-ND1 3.42Å; H267-A273 HydrophobicContact CB-CB 4.23Å; H267-V291 HydrophobicContact CB-CG1 3.7Å
268	T	96.8	Very high	96.1	Very high	10 Å²	10	43.8 Å²	43.8	6%	0.061	24%	0.235	C	C	.	.			trans	-134	146.6	174.6	-170.1	0	0	0	0	110.9	H242 T256 G270 V271	H242-T268 HydrophobicContact CB-CG2 4.49Å; T256-T268 HydrophobicContact CG2-CG2 3.89Å; T268-G270 PolarHBondContact O-N 3.4Å; T268-V271 HydrophobicContact CG2-CB 3.54Å; T268-V271 HydrophobicContact CG2-CG1 4.03Å; T268-V271 HydrophobicContact CG2-CG2 3.44Å; T268-V271 VanDerWaalsContact CG2-CG2 3.44Å; T268-V271 PolarHBondContact O-N 2.82Å
269	K	95.6	Very high	95.6	Very high	191 Å²	191	48.5 Å²	48.5	83%	0.83	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	136	-174.6	-175.5	-179.9	178.7	-178.7	0	110.9	H242 V271	H242-K269 PolarHBondContact CE1-O 2.99Å; H242-K269 VanDerWaalsContact CE1-O 3.25Å; H242-K269 PolarHBondContact ND1-O 2.87Å; K269-V271 VanDerWaalsContact C-N 3.3Å
270	G	94.1	Very high	95.1	Very high	76 Å²	76	49.7 Å²	49.7	78%	0.784	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	6.2	178	0	0	0	0	0	114.4	T268	T268-G270 PolarHBondContact O-N 3.4Å
271	V	97.8	Very high	94.8	Very high	15 Å²	15	53.2 Å²	53.2	9%	0.091	28%	0.276	C	S	.	.	S	Bend	trans	-123.4	138.8	-177.5	177.8	0	0	0	0	108.4	V224 H242 L254 T256 T268 K269 A273	V224-V271 HydrophobicContact CG2-CG1 3.9Å; V224-V271 HydrophobicContact CG2-CG2 4.2Å; H242-V271 VanDerWaalsContact CE1-CG2 3.46Å; H242-V271 WeakPolarHBondContact CE1-CG2 3.33Å; L254-V271 HydrophobicContact CB-CB 4.49Å; L254-V271 HydrophobicContact CB-CG1 4.02Å; L254-V271 HydrophobicContact CB-CG2 4.03Å; L254-V271 WeakPolarHBondContact O-CG1 3.39Å; T256-V271 HydrophobicContact CG2-CG1 3.79Å; T268-V271 HydrophobicContact CG2-CB 3.54Å; T268-V271 HydrophobicContact CG2-CG1 4.03Å; T268-V271 HydrophobicContact CG2-CG2 3.44Å; T268-V271 VanDerWaalsContact CG2-CG2 3.44Å; T268-V271 PolarHBondContact O-N 2.82Å; K269-V271 VanDerWaalsContact C-N 3.3Å; V271-A273 PolarHBondContact O-N 3.43Å
272	L	98.3	Very high	94.2	Very high	12 Å²	12	53.9 Å²	53.9	6%	0.063	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	128.2	178.2	-178.5	86.4	0	0	0	109.9	T70 F80 L253 L254 L255 T256 K295 L298	T70-L272 HydrophobicContact CG2-CD1 4.26Å; F80-L272 HydrophobicContact CE1-CD2 3.77Å; F80-L272 HydrophobicContact CZ-CD2 3.6Å; L253-L272 HydrophobicContact CD2-CB 4.19Å; L253-L272 HydrophobicContact CD2-CD2 4.06Å; L254-L272 PolarHBondContact O-N 2.82Å; L255-L272 CarbonylContact C-O 3.54Å; L255-L272 WeakPolarHBondContact CA-O 3.5Å; L255-L272 HydrophobicContact CB-CB 4.16Å; L255-L272 HydrophobicContact CB-CD2 4.43Å; L255-L272 WeakPolarHBondContact CB-O 3.38Å; T256-L272 PolarHBondContact N-O 3.23Å; L272-K295 HydrophobicContact CD1-CB 3.89Å; L272-K295 HydrophobicContact CD1-CG 4.28Å; L272-L298 HydrophobicContact CD2-CD2 4.09Å
273	A	98.3	Very high	93.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	129.5	171.4	0	0	0	0	0	110.7	V263 H267 V271 L288 V291 Q292	V263-A273 HydrophobicContact CG2-CB 4.12Å; H267-A273 HydrophobicContact CB-CB 4.23Å; V271-A273 PolarHBondContact O-N 3.43Å; A273-L288 HydrophobicContact CB-CD1 3.61Å; A273-V291 HydrophobicContact CB-CG1 3.99Å; A273-Q292 HydrophobicContact CB-CG 4.21Å; A273-Q292 PolarHBondContact O-NE2 3.29Å
274	A	98	Very high	93.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	164.7	170.7	0	0	0	0	0	110.2	T256 S257 D258 L298 M300	T256-A274 WeakPolarHBondContact O-CA 3.38Å; T256-A274 VanDerWaalsContact O-CB 3.28Å; T256-A274 WeakPolarHBondContact O-CB 3.42Å; T256-A274 PolarHBondContact O-N 2.83Å; S257-A274 WeakPolarHBondContact CA-O 3.43Å; D258-A274 PolarHBondContact N-O 2.81Å; A274-L298 WeakPolarHBondContact CA-O 3.34Å; A274-L298 HydrophobicContact CB-CB 4.1Å; A274-L298 HydrophobicContact CB-CD2 4.25Å; A274-L298 HydrophobicContact CB-CG 4Å; A274-L298 WeakPolarHBondContact CB-O 3.45Å; A274-M300 HydrophobicContact CB-CB 3.75Å; A274-M300 HydrophobicContact CB-CE 4.49Å
275	I	97.7	Very high	93.2	Very high	1 Å²	1	53 Å²	53	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	146	-178.6	-163	166.3	0	0	0	111.7	D258 E260 L277 T284 F285 L298 V299 M300	D258-I275 CarbonylContact O-C 3.55Å; D258-I275 VanDerWaalsContact O-CA 3.28Å; D258-I275 WeakPolarHBondContact O-CA 3.48Å; E260-I275 HydrophobicContact CB-CD1 3.83Å; E260-I275 HydrophobicContact CG-CD1 4.25Å; I275-L277 HydrophobicContact CG2-CD2 4.01Å; I275-T284 HydrophobicContact CD1-CG2 4.13Å; I275-T284 VanDerWaalsContact CD1-O 3.23Å; I275-T284 WeakPolarHBondContact CD1-O 3.37Å; I275-F285 HydrophobicContact CG2-CD1 4.25Å; I275-F285 HydrophobicContact CG2-CE1 3.78Å; I275-L298 PolarHBondContact N-O 2.99Å; I275-V299 HydrophobicContact CG2-CB 4.47Å; I275-V299 HydrophobicContact CG2-CG2 3.96Å; I275-V299 CarbonylContact O-C 3.56Å; I275-V299 VanDerWaalsContact O-CA 3.26Å; I275-V299 WeakPolarHBondContact O-CA 3.49Å; I275-M300 PolarHBondContact O-N 3.01Å
276	N	98.1	Very high	93.1	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.016	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	136.3	170.4	-59.8	-19.7	0	0	0	109.4	E227 S257 D258 E301 W303	E227-N276 VanDerWaalsContact CD-ND2 3.34Å; E227-N276 VanDerWaalsContact CG-ND2 3.27Å; E227-N276 WeakPolarHBondContact CG-ND2 3.31Å; E227-N276 WeakPolarHBondContact OE1-CB 3.23Å; E227-N276 PolarHBondContact OE1-ND2 2.76Å; S257-N276 WeakPolarHBondContact CB-OD1 3.45Å; S257-N276 PolarHBondContact OG-ND2 3.48Å; D258-N276 PolarHBondContact O-N 2.7Å; N276-E301 WeakPolarHBondContact CA-O 3.43Å; N276-E301 HydrophobicContact CB-CB 3.94Å; N276-E301 WeakPolarHBondContact OD1-CB 3.49Å; N276-E301 PolarHBondContact OD1-N 2.71Å; N276-W303 HydrophobicContact CB-CH2 3.97Å; N276-W303 HydrophobicContact CB-CZ2 3.7Å
277	L	96.1	Very high	93	Very high	10 Å²	10	56.6 Å²	56.6	5%	0.052	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	154	-175.4	62.1	91.2	0	0	0	113.3	I275 V280 T284 V299 E301 Y302 W303 F329	I275-L277 HydrophobicContact CG2-CD2 4.01Å; L277-V280 HydrophobicContact CD1-CG2 4.19Å; L277-T284 HydrophobicContact CD2-CG2 3.55Å; L277-V299 HydrophobicContact CD1-CG1 4.4Å; L277-V299 HydrophobicContact CD2-CG1 4.02Å; L277-V299 HydrophobicContact CD2-CG2 3.91Å; L277-V299 HydrophobicContact CG-CG1 3.85Å; L277-E301 PolarHBondContact N-O 3.05Å; L277-Y302 HydrophobicContact CD1-CD2 3.71Å; L277-Y302 HydrophobicContact CD1-CE2 4.17Å; L277-W303 PolarHBondContact O-N 3.49Å; L277-W303 VanDerWaalsContact O-N 3.1Å; L277-F329 HydrophobicContact CD1-CZ 4.26Å
278	Q	92.4	Very high	92.9	Very high	88 Å²	88	53 Å²	53	41%	0.411	27%	0.265	S	S	.	.	S	Bend	trans	-92.8	-31.8	170.9	-158.2	175.1	28	0	0	112.8	Y302 W303 K317	Q278-Y302 WeakPolarHBondContact O-CE2 3.33Å; Q278-W303 HydrophobicContact CB-CE3 3.91Å; Q278-K317 PolarHBondContact O-NZ 3.33Å
279	K	89.1	Confident	92.8	Very high	99 Å²	99	55.9 Å²	55.9	43%	0.43	28%	0.278	S	S	.	.	S	Bend	trans	-145.3	144.9	-174.8	-58	-167.1	-174	-135.4	0	110.6	E321	K279-E321 WeakPolarHBondContact CD-OE1 3.32Å; K279-E321 WeakPolarHBondContact CE-OE1 3.23Å; K279-E321 WeakPolarHBondContact CG-OE1 3.27Å; K279-E321 IonicContact NZ-OE1 2.64Å; K279-E321 PolarHBondContact NZ-OE1 2.95Å; K279-E321 IonicContact NZ-OE2 3.61Å; K279-E321 PolarHBondContact NZ-OE2 3.48Å; K279-E321 VanDerWaalsContact NZ-OE2 3.13Å
280	V	85.1	Confident	92.7	Very high	38 Å²	38	53.6 Å²	53.6	23%	0.23	27%	0.268	C	S	.	.			trans	-84.9	128.9	172.3	-173.2	0	0	0	0	108.8	L277 F329	L277-V280 HydrophobicContact CD1-CG2 4.19Å; V280-F329 HydrophobicContact CG2-CD1 4.32Å; V280-F329 HydrophobicContact CG2-CE1 3.33Å; V280-F329 HydrophobicContact CG2-CZ 3.74Å
281	Q	85.5	Confident	92.7	Very high	131 Å²	131	51.9 Å²	51.9	61%	0.612	24%	0.242	S	C	*	.			trans	-128.9	163.7	176.1	-58.6	-176.3	18.7	0	0	109.4	N283 T284	Q281-N283 PolarHBondContact O-N 3.16Å; Q281-T284 WeakPolarHBondContact CA-OG1 3.27Å; Q281-T284 PolarHBondContact N-OG1 3.49Å; Q281-T284 WeakPolarHBondContact O-CB 3.35Å; Q281-T284 PolarHBondContact O-N 3.04Å; Q281-T284 VanDerWaalsContact O-N 3.11Å; Q281-T284 PolarHBondContact O-OG1 2.89Å
282	R	79	Confident	92.5	Very high	194 Å²	194	51.9 Å²	51.9	73%	0.732	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-32.6	-176.2	-173.7	175.9	178.2	178	-0.5	113.8
283	N	86.9	Confident	92.1	Very high	88 Å²	88	59.3 Å²	59.3	47%	0.471	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	5	-173	-67.3	-24.1	0	0	0	114.4	Q281 F285 N286	Q281-N283 PolarHBondContact O-N 3.16Å; N283-F285 PolarHBondContact O-N 2.66Å; N283-N286 WeakPolarHBondContact CB-ND2 3.45Å; N283-N286 VanDerWaalsContact CG-ND2 3.34Å; N283-N286 VanDerWaalsContact O-CB 3.31Å; N283-N286 WeakPolarHBondContact O-CB 3.46Å; N283-N286 PolarHBondContact O-N 2.93Å; N283-N286 PolarHBondContact OD1-ND2 3.3Å; N283-N286 VanDerWaalsContact OD1-ND2 3.13Å
284	T	87.9	Confident	91.7	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.006	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-37.7	-172.1	-71	0	0	0	0	114	E260 I275 L277 Q281	E260-T284 WeakPolarHBondContact CG-O 3.33Å; I275-T284 HydrophobicContact CD1-CG2 4.13Å; I275-T284 VanDerWaalsContact CD1-O 3.23Å; I275-T284 WeakPolarHBondContact CD1-O 3.37Å; L277-T284 HydrophobicContact CD2-CG2 3.55Å; Q281-T284 WeakPolarHBondContact CA-OG1 3.27Å; Q281-T284 PolarHBondContact N-OG1 3.49Å; Q281-T284 WeakPolarHBondContact O-CB 3.35Å; Q281-T284 PolarHBondContact O-N 3.04Å; Q281-T284 VanDerWaalsContact O-N 3.11Å; Q281-T284 PolarHBondContact O-OG1 2.89Å
285	F	92.6	Very high	91.6	Very high	26 Å²	26	67.7 Å²	67.7	11%	0.114	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	1.4	-175.7	-57	-72.2	0	0	0	113.9	I275 N283 Q287 L288 H289 L297 V299 I334	I275-F285 HydrophobicContact CG2-CD1 4.25Å; I275-F285 HydrophobicContact CG2-CE1 3.78Å; N283-F285 PolarHBondContact O-N 2.66Å; F285-Q287 PolarHBondContact O-N 3.35Å; F285-L288 HydrophobicContact CD1-CD2 4.16Å; F285-L288 PolarHBondContact O-N 2.75Å; F285-H289 PolarHBondContact O-CD2 3.47Å; F285-H289 PolarHBondContact O-N 3.2Å; F285-L297 HydrophobicContact CB-CD2 4.31Å; F285-L297 HydrophobicContact CD1-CD1 4.14Å; F285-L297 HydrophobicContact CD1-CD2 3.82Å; F285-L297 HydrophobicContact CD1-CG 4.47Å; F285-L297 HydrophobicContact CD2-CD1 4.14Å; F285-L297 HydrophobicContact CE1-CD1 4.33Å; F285-L297 HydrophobicContact CE1-CD2 4.42Å; F285-L297 HydrophobicContact CE2-CD1 4.36Å; F285-L297 HydrophobicContact CG-CD1 4.02Å; F285-L297 HydrophobicContact CG-CD2 4.16Å; F285-L297 HydrophobicContact CZ-CD1 4.45Å; F285-V299 HydrophobicContact CE1-CG2 4.19Å; F285-V299 HydrophobicContact CZ-CG2 4.22Å; F285-I334 HydrophobicContact CE2-CD1 3.81Å; F285-I334 HydrophobicContact CZ-CD1 3.84Å; F285-I334 HydrophobicContact CZ-CG2 4.37Å
286	N	93.3	Very high	91.4	Very high	76 Å²	76	67.9 Å²	67.9	41%	0.406	31%	0.311	S	S	.	.	H	α-helix	trans	-62	-41.5	-174.3	-73.7	-6.1	0	0	0	112.5	N283 K290	N283-N286 WeakPolarHBondContact CB-ND2 3.45Å; N283-N286 VanDerWaalsContact CG-ND2 3.34Å; N283-N286 VanDerWaalsContact O-CB 3.31Å; N283-N286 WeakPolarHBondContact O-CB 3.46Å; N283-N286 PolarHBondContact O-N 2.93Å; N283-N286 PolarHBondContact OD1-ND2 3.3Å; N283-N286 VanDerWaalsContact OD1-ND2 3.13Å; N286-K290 PolarHBondContact O-N 3.45Å
287	Q	93.8	Very high	91.3	Very high	52 Å²	52	69.4 Å²	69.4	24%	0.243	32%	0.319	C	S	.	.	H	α-helix	trans	-71.1	-38.8	177.5	-56.7	-59.3	-10.8	0	0	111.3	E260 V263 L264 F285 H289 K290 V291	E260-Q287 WeakPolarHBondContact O-CB 3.38Å; V263-Q287 HydrophobicContact CG1-CB 3.72Å; L264-Q287 HydrophobicContact CG-CB 4.38Å; F285-Q287 PolarHBondContact O-N 3.35Å; Q287-H289 VanDerWaalsContact C-N 3.31Å; Q287-H289 PolarHBondContact O-N 3.23Å; Q287-K290 WeakPolarHBondContact O-CB 3.31Å; Q287-K290 PolarHBondContact O-N 2.96Å; Q287-K290 VanDerWaalsContact O-N 3.11Å; Q287-V291 PolarHBondContact O-N 3.46Å
288	L	94.8	Very high	91.4	Very high	1 Å²	1	69 Å²	69	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-61.6	-39.1	175.7	-176.8	63.3	0	0	0	111.8	V263 A273 F285 K290 V291 Q292 L297	V263-L288 HydrophobicContact CG2-CD1 3.91Å; A273-L288 HydrophobicContact CB-CD1 3.61Å; F285-L288 HydrophobicContact CD1-CD2 4.16Å; F285-L288 PolarHBondContact O-N 2.75Å; L288-K290 PolarHBondContact O-N 2.91Å; L288-V291 WeakPolarHBondContact O-CA 3.49Å; L288-V291 WeakPolarHBondContact O-CB 3.46Å; L288-V291 PolarHBondContact O-N 2.96Å; L288-Q292 HydrophobicContact CD1-CG 3.87Å; L288-Q292 HydrophobicContact CG-CG 4.29Å; L288-Q292 PolarHBondContact O-N 2.99Å; L288-L297 HydrophobicContact CD2-CD2 3.67Å
289	H	94.1	Very high	91.7	Very high	71 Å²	71	64.8 Å²	64.8	33%	0.329	30%	0.297	S	S	.	.	H	α-helix	trans	-65.7	-23.6	175.8	-74.6	-45.8	0	0	0	114	F285 Q287 V291 R293	F285-H289 PolarHBondContact O-CD2 3.47Å; F285-H289 PolarHBondContact O-N 3.2Å; Q287-H289 VanDerWaalsContact C-N 3.31Å; Q287-H289 PolarHBondContact O-N 3.23Å; H289-V291 VanDerWaalsContact C-N 3.28Å; H289-R293 WeakPolarHBondContact O-CB 3.5Å; H289-R293 PolarHBondContact O-N 2.92Å
290	K	94.4	Very high	92.2	Very high	143 Å²	143	60.1 Å²	60.1	62%	0.622	28%	0.277	S	S	*	.	H	α-helix	trans	-72.6	-25.6	170.9	-63.9	174.8	-172	169.9	0	112.2	L264 N286 Q287 L288	L264-K290 HydrophobicContact CD2-CB 4.12Å; L264-K290 HydrophobicContact CD2-CD 4.48Å; N286-K290 PolarHBondContact O-N 3.45Å; Q287-K290 WeakPolarHBondContact O-CB 3.31Å; Q287-K290 PolarHBondContact O-N 2.96Å; Q287-K290 VanDerWaalsContact O-N 3.11Å; L288-K290 PolarHBondContact O-N 2.91Å
291	V	93.7	Very high	92.8	Very high	40 Å²	40	58.7 Å²	58.7	24%	0.242	27%	0.268	C	S	.	.	H	α-helix	trans	-85.3	-45	177	179.9	0	0	0	0	111.2	L264 H267 A273 Q287 L288 H289	L264-V291 HydrophobicContact CD2-CG2 3.82Å; H267-V291 HydrophobicContact CB-CG1 3.7Å; A273-V291 HydrophobicContact CB-CG1 3.99Å; Q287-V291 PolarHBondContact O-N 3.46Å; L288-V291 WeakPolarHBondContact O-CA 3.49Å; L288-V291 WeakPolarHBondContact O-CB 3.46Å; L288-V291 PolarHBondContact O-N 2.96Å; H289-V291 VanDerWaalsContact C-N 3.28Å
292	Q	92.8	Very high	93.4	Very high	16 Å²	16	52.5 Å²	52.5	8%	0.075	24%	0.239	C	C	.	.	H	α-helix	trans	-153.6	73.2	-171.4	53.9	163.9	39.2	0	0	113.7	A273 L288 D294 K295	A273-Q292 HydrophobicContact CB-CG 4.21Å; A273-Q292 PolarHBondContact O-NE2 3.29Å; L288-Q292 HydrophobicContact CD1-CG 3.87Å; L288-Q292 HydrophobicContact CG-CG 4.29Å; L288-Q292 PolarHBondContact O-N 2.99Å; Q292-D294 VanDerWaalsContact C-N 3.26Å; Q292-D294 PolarHBondContact O-N 3.02Å; Q292-K295 HydrophobicContact CB-CB 4Å; Q292-K295 HydrophobicContact CB-CG 3.82Å; Q292-K295 HydrophobicContact CG-CB 4.24Å; Q292-K295 PolarHBondContact O-N 2.83Å
293	R	90.9	Very high	94.4	Very high	168 Å²	168	45.3 Å²	45.3	63%	0.634	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-31.1	-177.2	-170.2	178.6	179.5	-179.9	3.4	114.2	H289	H289-R293 WeakPolarHBondContact O-CB 3.5Å; H289-R293 PolarHBondContact O-N 2.92Å
294	D	90.3	Very high	94.9	Very high	103 Å²	103	41.1 Å²	41.1	55%	0.551	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	10.1	-171.5	58.7	-48.5	0	0	0	113.6	Q292	Q292-D294 VanDerWaalsContact C-N 3.26Å; Q292-D294 PolarHBondContact O-N 3.02Å
295	K	94.3	Very high	95.4	Very high	73 Å²	73	41.1 Å²	41.1	32%	0.317	19%	0.19	S	C	.	.	S	Bend	trans	-111.1	152.8	-179.9	-62.6	-57.7	-171.2	-177.8	0	112.2	T70 P78 L272 Q292	T70-K295 HydrophobicContact CG2-CD 4.21Å; T70-K295 PolarHBondContact OG1-NZ 2.99Å; P78-K295 VanDerWaalsContact CB-C 3.42Å; L272-K295 HydrophobicContact CD1-CB 3.89Å; L272-K295 HydrophobicContact CD1-CG 4.28Å; Q292-K295 HydrophobicContact CB-CB 4Å; Q292-K295 HydrophobicContact CB-CG 3.82Å; Q292-K295 HydrophobicContact CG-CB 4.24Å; Q292-K295 PolarHBondContact O-N 2.83Å
296	P	95.3	Very high	95.6	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.032	20%	0.198	C	C	.	.			trans	-62.6	152	175.5	26.4	-35.2	0	0	0	111.9	T70 F80	T70-P296 HydrophobicContact CG2-CG 3.71Å; F80-P296 HydrophobicContact CD1-CG 3.8Å; F80-P296 HydrophobicContact CD2-CB 3.68Å; F80-P296 HydrophobicContact CD2-CG 3.77Å; F80-P296 HydrophobicContact CE1-CG 3.65Å; F80-P296 HydrophobicContact CE2-CB 3.62Å; F80-P296 HydrophobicContact CE2-CG 3.62Å; F80-P296 HydrophobicContact CG-CB 4.19Å; F80-P296 HydrophobicContact CG-CG 3.86Å; F80-P296 HydrophobicContact CZ-CB 4.08Å; F80-P296 HydrophobicContact CZ-CG 3.57Å
297	L	96.1	Very high	95.9	Very high	35 Å²	35	40.8 Å²	40.8	18%	0.183	18%	0.183	C	C	.	.			trans	-82.8	133.3	175.5	-62.8	177.8	0	0	0	110.3	F285 L288 I334 S335	F285-L297 HydrophobicContact CB-CD2 4.31Å; F285-L297 HydrophobicContact CD1-CD1 4.14Å; F285-L297 HydrophobicContact CD1-CD2 3.82Å; F285-L297 HydrophobicContact CD1-CG 4.47Å; F285-L297 HydrophobicContact CD2-CD1 4.14Å; F285-L297 HydrophobicContact CE1-CD1 4.33Å; F285-L297 HydrophobicContact CE1-CD2 4.42Å; F285-L297 HydrophobicContact CE2-CD1 4.36Å; F285-L297 HydrophobicContact CG-CD1 4.02Å; F285-L297 HydrophobicContact CG-CD2 4.16Å; F285-L297 HydrophobicContact CZ-CD1 4.45Å; L288-L297 HydrophobicContact CD2-CD2 3.67Å; L297-I334 HydrophobicContact CB-CB 4.44Å; L297-I334 HydrophobicContact CB-CG1 4.17Å; L297-I334 HydrophobicContact CB-CG2 3.98Å; L297-I334 HydrophobicContact CD1-CD1 4.28Å; L297-I334 HydrophobicContact CD1-CG1 4Å; L297-S335 PolarHBondContact O-N 2.66Å
298	L	97.9	Very high	96.1	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	118.9	174.3	178	53.5	0	0	0	109.5	F80 L255 L272 A274 I275 M300 S335	F80-L298 HydrophobicContact CE2-CB 4.07Å; F80-L298 HydrophobicContact CZ-CB 4.01Å; F80-L298 HydrophobicContact CZ-CD2 4.01Å; L255-L298 HydrophobicContact CD2-CD2 4.12Å; L272-L298 HydrophobicContact CD2-CD2 4.09Å; A274-L298 WeakPolarHBondContact CA-O 3.34Å; A274-L298 HydrophobicContact CB-CB 4.1Å; A274-L298 HydrophobicContact CB-CD2 4.25Å; A274-L298 HydrophobicContact CB-CG 4Å; A274-L298 WeakPolarHBondContact CB-O 3.45Å; I275-L298 PolarHBondContact N-O 2.99Å; L298-M300 HydrophobicContact CD1-CE 4.14Å; L298-M300 HydrophobicContact CD2-CE 3.29Å; L298-M300 HydrophobicContact CG-CE 3.72Å; L298-S335 CarbonylContact C-O 3.1Å; L298-S335 VanDerWaalsContact CA-O 3.3Å; L298-S335 WeakPolarHBondContact CA-O 3.28Å
299	V	98.6	Very high	96.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	99.6	166.7	-179.1	0	0	0	0	107.2	I275 L277 F285 F329 I334 S335 F336 N337	I275-V299 HydrophobicContact CG2-CB 4.47Å; I275-V299 HydrophobicContact CG2-CG2 3.96Å; I275-V299 CarbonylContact O-C 3.56Å; I275-V299 VanDerWaalsContact O-CA 3.26Å; I275-V299 WeakPolarHBondContact O-CA 3.49Å; L277-V299 HydrophobicContact CD1-CG1 4.4Å; L277-V299 HydrophobicContact CD2-CG1 4.02Å; L277-V299 HydrophobicContact CD2-CG2 3.91Å; L277-V299 HydrophobicContact CG-CG1 3.85Å; F285-V299 HydrophobicContact CE1-CG2 4.19Å; F285-V299 HydrophobicContact CZ-CG2 4.22Å; V299-F329 HydrophobicContact CG1-CZ 4.39Å; V299-F329 HydrophobicContact CG2-CE1 3.96Å; V299-F329 HydrophobicContact CG2-CZ 4.12Å; V299-I334 HydrophobicContact CG2-CG2 3.85Å; V299-S335 PolarHBondContact N-O 3.19Å; V299-F336 HydrophobicContact CB-CB 4.29Å; V299-F336 CarbonylContact O-C 3.55Å; V299-F336 VanDerWaalsContact O-CA 3.3Å; V299-F336 WeakPolarHBondContact O-CA 3.22Å; V299-N337 PolarHBondContact O-N 3.45Å
300	M	98.7	Very high	96.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-29	-175.2	-175.3	55.2	52.4	0	0	112.2	T120 I158 L255 A274 I275 L298 N337	T120-M300 HydrophobicContact CG2-SD 4.47Å; I158-M300 HydrophobicContact CD1-CE 4.19Å; I158-M300 HydrophobicContact CG2-CE 4.37Å; I158-M300 HydrophobicContact CG2-SD 4.25Å; L255-M300 HydrophobicContact CD1-CE 3.71Å; L255-M300 HydrophobicContact CD1-CG 4.36Å; L255-M300 HydrophobicContact CD1-SD 4.44Å; L255-M300 HydrophobicContact CD2-CE 3.43Å; L255-M300 VanDerWaalsContact CD2-CE 3.43Å; L255-M300 HydrophobicContact CG-CE 4.23Å; A274-M300 HydrophobicContact CB-CB 3.75Å; A274-M300 HydrophobicContact CB-CE 4.49Å; I275-M300 PolarHBondContact O-N 3.01Å; L298-M300 HydrophobicContact CD1-CE 4.14Å; L298-M300 HydrophobicContact CD2-CE 3.29Å; L298-M300 HydrophobicContact CG-CE 3.72Å; M300-N337 VanDerWaalsContact O-CB 3.27Å; M300-N337 WeakPolarHBondContact O-CB 3.38Å; M300-N337 PolarHBondContact O-ND2 3.24Å; M300-N337 HydrophobicContact SD-CB 4.45Å
301	E	98.6	Very high	96.5	Very high	8 Å²	8	33.8 Å²	33.8	4%	0.037	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	106.5	168.4	-60.4	-176.9	-177.6	0	0	109.7	Y122 R160 N276 L277 W303 Y339	Y122-E301 PolarHBondContact OH-OE1 3.13Å; R160-E301 IonicContact CZ-OE1 3.52Å; R160-E301 IonicContact NH1-OE1 2.79Å; R160-E301 PolarHBondContact NH1-OE1 3.43Å; R160-E301 IonicContact NH2-OE1 2.97Å; R160-E301 PolarHBondContact NH2-OE1 2.88Å; N276-E301 WeakPolarHBondContact CA-O 3.43Å; N276-E301 HydrophobicContact CB-CB 3.94Å; N276-E301 WeakPolarHBondContact OD1-CB 3.49Å; N276-E301 PolarHBondContact OD1-N 2.71Å; L277-E301 PolarHBondContact N-O 3.05Å; E301-W303 PolarHBondContact OE2-NE1 3.22Å; E301-Y339 HydrophobicContact CB-CG 4.36Å; E301-Y339 HydrophobicContact CG-CD2 3.96Å; E301-Y339 HydrophobicContact CG-CG 4.2Å
302	Y	98.6	Very high	96.6	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	105	162	177.4	-129.3	0	0	0	109	L277 Q278 V304 K317 V322 A325 V326 F329 N337 V338 Y339	L277-Y302 HydrophobicContact CD1-CD2 3.71Å; L277-Y302 HydrophobicContact CD1-CE2 4.17Å; Q278-Y302 WeakPolarHBondContact O-CE2 3.33Å; Y302-V304 HydrophobicContact CD1-CG1 3.49Å; Y302-V304 VanDerWaalsContact CD1-CG1 3.49Å; Y302-V304 HydrophobicContact CE1-CG1 3.54Å; Y302-V304 HydrophobicContact CG-CG1 4.39Å; Y302-V304 PolarHBondContact O-N 3.39Å; Y302-V304 VanDerWaalsContact O-N 3.07Å; Y302-K317 PolarHBondContact OH-NZ 3.36Å; Y302-V322 HydrophobicContact CE1-CG1 4.25Å; Y302-A325 HydrophobicContact CE1-CB 4Å; Y302-A325 HydrophobicContact CE2-CB 4.03Å; Y302-A325 VanDerWaalsContact CZ-CB 3.48Å; Y302-A325 WeakPolarHBondContact OH-CB 3.38Å; Y302-V326 HydrophobicContact CD1-CG2 4.32Å; Y302-V326 HydrophobicContact CE1-CG2 4.16Å; Y302-F329 AromaticContact CD1-CE2 3.92Å; Y302-F329 HydrophobicContact CD1-CE2 3.92Å; Y302-F329 HydrophobicContact CD2-CE2 4.14Å; Y302-F329 HydrophobicContact CD2-CZ 4.08Å; Y302-F329 HydrophobicContact CE1-CE2 4.42Å; Y302-F329 AromaticContact CG-CE2 3.78Å; Y302-F329 HydrophobicContact CG-CE2 3.78Å; Y302-F329 HydrophobicContact CG-CZ 4.17Å; Y302-N337 PolarHBondContact N-O 3.39Å; Y302-V338 HydrophobicContact CD1-CG2 4.46Å; Y302-Y339 PolarHBondContact O-N 3.09Å; Y302-Y339 VanDerWaalsContact O-O 3.1Å
303	W	98.4	Very high	96.8	Very high	43 Å²	43	42.4 Å²	42.4	16%	0.163	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	101.3	-178	-55.5	-52.3	0	0	0	111	N276 L277 Q278 E301 G305 W306 K317 Y339 Y368	N276-W303 HydrophobicContact CB-CH2 3.97Å; N276-W303 HydrophobicContact CB-CZ2 3.7Å; L277-W303 PolarHBondContact O-N 3.49Å; L277-W303 VanDerWaalsContact O-N 3.1Å; Q278-W303 HydrophobicContact CB-CE3 3.91Å; E301-W303 PolarHBondContact OE2-NE1 3.22Å; W303-G305 VanDerWaalsContact C-N 3.35Å; W303-W306 HydrophobicContact CB-CE3 4.38Å; W303-W306 HydrophobicContact CB-CZ3 4.22Å; W303-W306 AromaticContact CD2-CZ3 3.92Å; W303-W306 HydrophobicContact CD2-CZ3 3.92Å; W303-W306 HydrophobicContact CE3-CZ3 4.1Å; W303-W306 AromaticContact CG-CZ3 3.97Å; W303-W306 HydrophobicContact CG-CZ3 3.97Å; W303-K317 PolarHBondContact O-NZ 3.08Å; W303-Y339 CarbonylContact C-O 3.56Å; W303-Y339 VanDerWaalsContact CA-O 3.23Å; W303-Y339 WeakPolarHBondContact CA-O 3.4Å; W303-Y339 AromaticContact CD1-CD1 3.73Å; W303-Y368 VanDerWaalsContact CD1-OH 3.31Å
304	V	97.8	Very high	97.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-87	-4.7	-176.4	-67.4	0	0	0	0	114.5	Y302 K317 V322 V338 Y339 M340 V371 K381	Y302-V304 HydrophobicContact CD1-CG1 3.49Å; Y302-V304 VanDerWaalsContact CD1-CG1 3.49Å; Y302-V304 HydrophobicContact CE1-CG1 3.54Å; Y302-V304 HydrophobicContact CG-CG1 4.39Å; Y302-V304 PolarHBondContact O-N 3.39Å; Y302-V304 VanDerWaalsContact O-N 3.07Å; V304-K317 WeakPolarHBondContact O-CB 3.5Å; V304-V322 HydrophobicContact CB-CG1 4.36Å; V304-V322 HydrophobicContact CB-CG2 4.09Å; V304-V322 HydrophobicContact CG1-CG1 3.85Å; V304-V322 HydrophobicContact CG1-CG2 4.24Å; V304-V338 HydrophobicContact CB-CG1 4.17Å; V304-V338 HydrophobicContact CG1-CB 4.38Å; V304-V338 HydrophobicContact CG1-CG1 3.5Å; V304-V338 HydrophobicContact CG1-CG2 4.26Å; V304-V338 HydrophobicContact CG2-CG1 3.6Å; V304-Y339 PolarHBondContact N-O 3.17Å; V304-M340 VanDerWaalsContact CG2-O 3.22Å; V304-M340 WeakPolarHBondContact CG2-O 2.98Å; V304-V371 HydrophobicContact CG2-CG2 4.37Å; V304-K381 PolarHBondContact O-NZ 2.89Å
305	G	97.9	Very high	97.5	Very high	2 Å²	2	35.2 Å²	35.2	2%	0.021	17%	0.169	C	C	.	.	S	Bend	trans	-162.8	-148.6	173.5	0	0	0	0	0	108.1	W303 Y368	W303-G305 VanDerWaalsContact C-N 3.35Å; G305-Y368 VanDerWaalsContact C-CE1 3.44Å; G305-Y368 CarbonylContact C-O 3.43Å; G305-Y368 WeakPolarHBondContact CA-O 3.32Å; G305-Y368 WeakPolarHBondContact O-CE1 3.48Å
306	W	98.3	Very high	97.6	Very high	77 Å²	77	36.9 Å²	36.9	29%	0.292	18%	0.184	S	C	.	.			trans	-158.3	160.9	178.6	-155.2	-109.6	0	0	0	111	W303 H315 Y368	W303-W306 HydrophobicContact CB-CE3 4.38Å; W303-W306 HydrophobicContact CB-CZ3 4.22Å; W303-W306 AromaticContact CD2-CZ3 3.92Å; W303-W306 HydrophobicContact CD2-CZ3 3.92Å; W303-W306 HydrophobicContact CE3-CZ3 4.1Å; W303-W306 AromaticContact CG-CZ3 3.97Å; W303-W306 HydrophobicContact CG-CZ3 3.97Å; W306-H315 HydrophobicContact CB-CB 3.72Å; W306-H315 AromaticContact CD1-CD2 3.88Å; W306-Y368 PolarHBondContact N-O 2.76Å; W306-Y368 CarbonylContact O-C 3.51Å; W306-Y368 VanDerWaalsContact O-CA 3.27Å; W306-Y368 WeakPolarHBondContact O-CA 3.14Å
307	F	98	Very high	97.6	Very high	18 Å²	18	37.6 Å²	37.6	8%	0.079	19%	0.187	C	C	.	.			trans	-85.2	159.1	175.6	63.9	-89.8	0	0	0	111.8	E168 R309 H315 T354 I362 Y366 Y368	E168-F307 HydrophobicContact CG-CB 4.19Å; E168-F307 HydrophobicContact CG-CD1 3.34Å; E168-F307 HydrophobicContact CG-CD2 3.88Å; E168-F307 HydrophobicContact CG-CE1 3.48Å; E168-F307 VanDerWaalsContact CG-CE1 3.48Å; E168-F307 HydrophobicContact CG-CE2 4.01Å; E168-F307 HydrophobicContact CG-CG 3.53Å; E168-F307 HydrophobicContact CG-CZ 3.82Å; F307-R309 HydrophobicContact CD2-CG 4.35Å; F307-R309 HydrophobicContact CE2-CG 4.08Å; F307-H315 PolarHBondContact O-ND1 3.14Å; F307-T354 HydrophobicContact CE2-CG2 3.99Å; F307-T354 HydrophobicContact CZ-CG2 4.12Å; F307-I362 HydrophobicContact CD2-CD1 3.84Å; F307-I362 HydrophobicContact CD2-CG1 4.01Å; F307-I362 HydrophobicContact CD2-CG2 4.17Å; F307-I362 HydrophobicContact CE2-CD1 3.75Å; F307-I362 HydrophobicContact CE2-CG1 4.03Å; F307-I362 HydrophobicContact CZ-CD1 4.46Å; F307-Y366 HydrophobicContact CB-CD2 4.29Å; F307-Y366 HydrophobicContact CB-CE2 3.82Å; F307-Y368 HydrophobicContact CB-CD2 4.11Å; F307-Y368 HydrophobicContact CB-CE2 4.26Å; F307-Y368 HydrophobicContact CD1-CE2 4.28Å
308	D	98.4	Very high	97.6	Very high	8 Å²	8	40 Å²	40	4%	0.043	20%	0.2	C	C	.	.			trans	-105.6	159	177.4	-60.6	-43.9	0	0	0	113.3	H314 H315 I362 V363 P615	D308-H314 WeakPolarHBondContact OD1-CA 3.22Å; D308-H314 IonicContact OD1-ND1 3.17Å; D308-H314 IonicContact OD2-CE1 2.73Å; D308-H314 IonicContact OD2-CG 2.92Å; D308-H314 IonicContact OD2-ND1 3.24Å; D308-H314 PolarHBondContact OD2-ND1 3.49Å; D308-H315 IonicContact OD1-CE1 2.74Å; D308-H315 IonicContact OD1-CG 2.93Å; D308-H315 PolarHBondContact OD1-N 3.28Å; D308-H315 IonicContact OD1-ND1 2.6Å; D308-H315 PolarHBondContact OD1-ND1 2.79Å; D308-I362 WeakPolarHBondContact O-CA 3.23Å; D308-I362 WeakPolarHBondContact O-CG2 3.43Å; D308-V363 HydrophobicContact CB-CG1 4.03Å; D308-V363 HydrophobicContact CB-CG2 3.73Å; D308-V363 PolarHBondContact O-N 3.07Å; D308-P615 HydrophobicContact CB-CG 3.91Å
309	R	98	Very high	97.7	Very high	54 Å²	54	40.3 Å²	40.3	20%	0.204	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-124.7	150.2	174.8	-59.6	177	-62.5	-176.4	0.3	109.4	F307 G311 D312 T354 T360 I362 P615	F307-R309 HydrophobicContact CD2-CG 4.35Å; F307-R309 HydrophobicContact CE2-CG 4.08Å; R309-G311 PolarHBondContact O-N 3.47Å; R309-D312 IonicContact CZ-OD2 3.61Å; R309-D312 IonicContact NE-OD2 3.19Å; R309-D312 PolarHBondContact NE-OD2 2.78Å; R309-D312 IonicContact NH2-OD1 2.85Å; R309-D312 IonicContact NH2-OD2 3.61Å; R309-D312 PolarHBondContact NH2-OD2 3.13Å; R309-D312 WeakPolarHBondContact O-CB 3.46Å; R309-D312 PolarHBondContact O-N 2.74Å; R309-D312 VanDerWaalsContact O-N 3.13Å; R309-T354 WeakPolarHBondContact CD-OG1 3.34Å; R309-T354 PolarHBondContact NH1-OG1 2.86Å; R309-T360 HydrophobicContact CB-CG2 3.75Å; R309-I362 HydrophobicContact CG-CG1 4.41Å; R309-P615 VanDerWaalsContact O-CD 3.24Å; R309-P615 WeakPolarHBondContact O-CD 3.48Å
310	W	97.9	Very high	97.6	Very high	11 Å²	11	46.1 Å²	46.1	4%	0.042	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	127.6	178.5	-66.1	107.8	0	0	0	111.2	T360 G361 I362 V363 R609 W611 I613 G614 Q616	W310-T360 WeakPolarHBondContact O-CG2 3.38Å; W310-G361 PolarHBondContact N-O 2.98Å; W310-G361 VanDerWaalsContact N-O 3.13Å; W310-I362 PolarHBondContact NE1-O 2.89Å; W310-V363 HydrophobicContact CD2-CB 4.37Å; W310-V363 HydrophobicContact CD2-CG1 3.77Å; W310-V363 HydrophobicContact CE3-CG1 4.03Å; W310-V363 HydrophobicContact CG-CG1 4.12Å; W310-V363 HydrophobicContact CH2-CB 4.37Å; W310-V363 HydrophobicContact CZ2-CB 4.01Å; W310-V363 HydrophobicContact CZ2-CG1 4.29Å; W310-V363 HydrophobicContact CZ3-CG1 4.38Å; W310-R609 HydrophobicContact CZ2-CB 4.25Å; W310-R609 HydrophobicContact CZ2-CG 4.1Å; W310-R609 WeakPolarHBondContact CZ2-O 3.38Å; W310-W611 HydrophobicContact CB-CE3 3.79Å; W310-W611 HydrophobicContact CB-CZ3 4.08Å; W310-W611 HydrophobicContact CD2-CB 4.03Å; W310-W611 HydrophobicContact CD2-CE3 4.2Å; W310-W611 HydrophobicContact CE3-CB 3.63Å; W310-W611 AromaticContact CG-CE3 3.77Å; W310-W611 HydrophobicContact CG-CE3 3.77Å; W310-W611 HydrophobicContact CG-CZ3 4.36Å; W310-W611 HydrophobicContact CH2-CB 4.32Å; W310-W611 HydrophobicContact CZ3-CB 3.8Å; W310-I613 HydrophobicContact CB-CD1 4Å; W310-I613 HydrophobicContact CB-CG1 4.34Å; W310-G614 CarbonylContact C-O 3.57Å; W310-G614 WeakPolarHBondContact CA-O 3.32Å; W310-G614 VanDerWaalsContact CE3-O 3.26Å; W310-Q616 HydrophobicContact CH2-CB 3.99Å; W310-Q616 HydrophobicContact CH2-CG 4.32Å; W310-Q616 HydrophobicContact CZ3-CB 4Å; W310-Q616 WeakPolarHBondContact CZ3-O 3.46Å
311	G	96.5	Very high	97.5	Very high	46 Å²	46	48.8 Å²	48.8	47%	0.474	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	-6.2	-177.9	0	0	0	0	0	115.6	R309 G614	R309-G311 PolarHBondContact O-N 3.47Å; G311-G614 PolarHBondContact N-O 2.82Å
312	D	95.9	Very high	97.5	Very high	55 Å²	55	48.4 Å²	48.4	29%	0.294	24%	0.239	S	C	.	.	S	Bend	trans	-86.7	176.9	175.1	-75.4	-8.8	0	0	0	112.1	R309 P615	R309-D312 IonicContact CZ-OD2 3.61Å; R309-D312 IonicContact NE-OD2 3.19Å; R309-D312 PolarHBondContact NE-OD2 2.78Å; R309-D312 IonicContact NH2-OD1 2.85Å; R309-D312 IonicContact NH2-OD2 3.61Å; R309-D312 PolarHBondContact NH2-OD2 3.13Å; R309-D312 WeakPolarHBondContact O-CB 3.46Å; R309-D312 PolarHBondContact O-N 2.74Å; R309-D312 VanDerWaalsContact O-N 3.13Å; D312-P615 WeakPolarHBondContact O-CB 3.46Å; D312-P615 VanDerWaalsContact O-CD 3.28Å; D312-P615 WeakPolarHBondContact O-CD 3.39Å; D312-P615 WeakPolarHBondContact O-CG 3.38Å
313	K	97	Very high	97.4	Very high	183 Å²	183	51.1 Å²	51.1	80%	0.796	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-83.6	146.9	166.5	-66	-177.3	178.8	-179.2	0	110.1	H315	K313-H315 PolarHBondContact O-N 3.06Å; K313-H315 PolarHBondContact O-ND1 2.86Å
314	H	97.9	Very high	97.3	Very high	56 Å²	56	57.2 Å²	57.2	26%	0.259	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-58	127.5	171.2	-178.3	55.7	0	0	0	110.9	D308 P615	D308-H314 WeakPolarHBondContact OD1-CA 3.22Å; D308-H314 IonicContact OD1-ND1 3.17Å; D308-H314 IonicContact OD2-CE1 2.73Å; D308-H314 IonicContact OD2-CG 2.92Å; D308-H314 IonicContact OD2-ND1 3.24Å; D308-H314 PolarHBondContact OD2-ND1 3.49Å; H314-P615 HydrophobicContact CB-CB 4.22Å
315	H	97.1	Very high	97.3	Very high	64 Å²	64	57.7 Å²	57.7	30%	0.296	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-85.6	129	-179.1	-66.2	79.4	0	0	0	111.3	W306 F307 D308 K313 D369	W306-H315 HydrophobicContact CB-CB 3.72Å; W306-H315 AromaticContact CD1-CD2 3.88Å; F307-H315 PolarHBondContact O-ND1 3.14Å; D308-H315 IonicContact OD1-CE1 2.74Å; D308-H315 IonicContact OD1-CG 2.93Å; D308-H315 PolarHBondContact OD1-N 3.28Å; D308-H315 IonicContact OD1-ND1 2.6Å; D308-H315 PolarHBondContact OD1-ND1 2.79Å; K313-H315 PolarHBondContact O-N 3.06Å; K313-H315 PolarHBondContact O-ND1 2.86Å; H315-D369 WeakPolarHBondContact O-CB 3.44Å
316	V	96.1	Very high	97.3	Very high	107 Å²	107	57.6 Å²	57.6	65%	0.648	28%	0.277	S	S	*	.			trans	-130.6	149.6	174.7	-62.4	0	0	0	0	111.1	D369	V316-D369 WeakPolarHBondContact CA-OD2 3.48Å
317	K	95.8	Very high	97.2	Very high	20 Å²	20	55.8 Å²	55.8	9%	0.087	28%	0.276	C	S	.	.			trans	-128.5	132.2	175.7	-176.7	170.3	175.9	-177.1	0	110	Q278 Y302 W303 V304 A319 V322 D369 K381	Q278-K317 PolarHBondContact O-NZ 3.33Å; Y302-K317 PolarHBondContact OH-NZ 3.36Å; W303-K317 PolarHBondContact O-NZ 3.08Å; V304-K317 WeakPolarHBondContact O-CB 3.5Å; K317-A319 PolarHBondContact O-N 3.04Å; K317-V322 HydrophobicContact CD-CG2 4.2Å; K317-V322 HydrophobicContact CG-CG2 4.23Å; K317-D369 PolarHBondContact N-OD2 3.34Å; K317-K381 WeakPolarHBondContact O-CE 3.38Å; K317-K381 PolarHBondContact O-NZ 2.83Å; K317-K381 VanDerWaalsContact O-NZ 3.08Å
318	D	97.2	Very high	97.1	Very high	87 Å²	87	57.6 Å²	57.6	47%	0.465	29%	0.285	S	S	.	.			trans	-60.1	133.5	-176.2	177.4	-97.3	0	0	0	112.8	K320 E321 V322	D318-K320 VanDerWaalsContact C-N 3.3Å; D318-K320 PolarHBondContact O-N 2.95Å; D318-K320 VanDerWaalsContact OD1-CA 3.3Å; D318-K320 WeakPolarHBondContact OD1-CA 3.26Å; D318-K320 WeakPolarHBondContact OD1-CB 3.28Å; D318-K320 PolarHBondContact OD1-N 3.22Å; D318-E321 HydrophobicContact CB-CB 4.29Å; D318-E321 WeakPolarHBondContact O-CB 3.32Å; D318-E321 PolarHBondContact O-N 3.31Å; D318-E321 PolarHBondContact OD1-N 3.31Å; D318-V322 PolarHBondContact O-N 3.43Å
319	A	98.1	Very high	96.9	Very high	7 Å²	7	57.2 Å²	57.2	6%	0.058	28%	0.283	C	S	.	.	H	α-helix	trans	-68.5	-27.7	-176.2	0	0	0	0	0	113	K317 V322 E323 E380 K381 K384	K317-A319 PolarHBondContact O-N 3.04Å; A319-V322 PolarHBondContact O-N 3.02Å; A319-E323 WeakPolarHBondContact O-CB 3.5Å; A319-E323 PolarHBondContact O-N 2.98Å; A319-E380 HydrophobicContact CB-CB 4.22Å; A319-E380 HydrophobicContact CB-CG 4.04Å; A319-K381 HydrophobicContact CB-CG 3.63Å; A319-K384 HydrophobicContact CB-CD 3.78Å
320	K	97.4	Very high	96.8	Very high	122 Å²	122	54.8 Å²	54.8	53%	0.53	27%	0.274	S	S	.	.	H	α-helix	trans	-74.5	-33.8	175.5	-54.4	173.3	-179.7	169.5	0	111.2	D318 V322 R324	D318-K320 VanDerWaalsContact C-N 3.3Å; D318-K320 PolarHBondContact O-N 2.95Å; D318-K320 VanDerWaalsContact OD1-CA 3.3Å; D318-K320 WeakPolarHBondContact OD1-CA 3.26Å; D318-K320 WeakPolarHBondContact OD1-CB 3.28Å; D318-K320 PolarHBondContact OD1-N 3.22Å; K320-V322 VanDerWaalsContact C-N 3.32Å; K320-R324 VanDerWaalsContact O-CB 3.32Å; K320-R324 WeakPolarHBondContact O-CB 3.37Å; K320-R324 PolarHBondContact O-N 2.83Å
321	E	96.5	Very high	96.5	Very high	56 Å²	56	60.1 Å²	60.1	26%	0.262	30%	0.298	S	S	.	.	H	α-helix	trans	-61.4	-43.5	171.1	-172.2	177.7	155	0	0	110.7	K279 D318 R324 A325	K279-E321 WeakPolarHBondContact CD-OE1 3.32Å; K279-E321 WeakPolarHBondContact CE-OE1 3.23Å; K279-E321 WeakPolarHBondContact CG-OE1 3.27Å; K279-E321 IonicContact NZ-OE1 2.64Å; K279-E321 PolarHBondContact NZ-OE1 2.95Å; K279-E321 IonicContact NZ-OE2 3.61Å; K279-E321 PolarHBondContact NZ-OE2 3.48Å; K279-E321 VanDerWaalsContact NZ-OE2 3.13Å; D318-E321 HydrophobicContact CB-CB 4.29Å; D318-E321 WeakPolarHBondContact O-CB 3.32Å; D318-E321 PolarHBondContact O-N 3.31Å; D318-E321 PolarHBondContact OD1-N 3.31Å; E321-R324 PolarHBondContact O-N 3.43Å; E321-A325 PolarHBondContact O-N 3.32Å; E321-A325 VanDerWaalsContact O-N 3.1Å
322	V	97.9	Very high	96.3	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.6	-49.9	175.6	173.4	0	0	0	0	111.8	Y302 V304 K317 D318 A319 K320 R324 A325 V326 K381 L385	Y302-V322 HydrophobicContact CE1-CG1 4.25Å; V304-V322 HydrophobicContact CB-CG1 4.36Å; V304-V322 HydrophobicContact CB-CG2 4.09Å; V304-V322 HydrophobicContact CG1-CG1 3.85Å; V304-V322 HydrophobicContact CG1-CG2 4.24Å; K317-V322 HydrophobicContact CD-CG2 4.2Å; K317-V322 HydrophobicContact CG-CG2 4.23Å; D318-V322 PolarHBondContact O-N 3.43Å; A319-V322 PolarHBondContact O-N 3.02Å; K320-V322 VanDerWaalsContact C-N 3.32Å; V322-R324 VanDerWaalsContact C-N 3.33Å; V322-R324 PolarHBondContact O-N 3.41Å; V322-A325 PolarHBondContact O-N 3.47Å; V322-V326 WeakPolarHBondContact O-CG2 3.28Å; V322-V326 PolarHBondContact O-N 3.35Å; V322-K381 HydrophobicContact CG2-CD 4.39Å; V322-L385 HydrophobicContact CG1-CD1 4.16Å; V322-L385 HydrophobicContact CG1-CD2 4.18Å; V322-L385 HydrophobicContact CG1-CG 4.42Å
323	E	97.8	Very high	96.1	Very high	57 Å²	57	60.5 Å²	60.5	27%	0.266	28%	0.284	S	S	.	.	H	α-helix	trans	-56.3	-44.5	176.8	-179.4	179.9	-161.3	0	0	112.1	A319 S327 K384	A319-E323 WeakPolarHBondContact O-CB 3.5Å; A319-E323 PolarHBondContact O-N 2.98Å; E323-S327 VanDerWaalsContact O-CB 3.28Å; E323-S327 WeakPolarHBondContact O-CB 3.32Å; E323-S327 PolarHBondContact O-N 2.76Å; E323-K384 HydrophobicContact CB-CB 4.34Å; E323-K384 HydrophobicContact CB-CD 4.43Å; E323-K384 HydrophobicContact CG-CB 4.41Å; E323-K384 WeakPolarHBondContact OE2-CD 3.26Å; E323-K384 IonicContact OE2-NZ 3.39Å; E323-K384 PolarHBondContact OE2-NZ 3.28Å
324	R	96.6	Very high	96.1	Very high	171 Å²	171	52.2 Å²	52.2	65%	0.645	25%	0.248	S	C	*	.	H	α-helix	trans	-62.6	-48.2	179.1	-173.7	-175.1	-58.7	167.3	3.4	111.9	K320 E321 V322 S327 E328	K320-R324 VanDerWaalsContact O-CB 3.32Å; K320-R324 WeakPolarHBondContact O-CB 3.37Å; K320-R324 PolarHBondContact O-N 2.83Å; E321-R324 PolarHBondContact O-N 3.43Å; V322-R324 VanDerWaalsContact C-N 3.33Å; V322-R324 PolarHBondContact O-N 3.41Å; R324-S327 WeakPolarHBondContact O-CB 3.49Å; R324-S327 PolarHBondContact O-N 3.37Å; R324-E328 PolarHBondContact O-N 3.15Å
325	A	96.7	Very high	96.1	Very high	10 Å²	10	49.7 Å²	49.7	8%	0.083	24%	0.236	C	C	.	.	H	α-helix	trans	-62.8	-43.8	-179.7	0	0	0	0	0	111.9	Y302 E321 V322 S327 E328 F329	Y302-A325 HydrophobicContact CE1-CB 4Å; Y302-A325 HydrophobicContact CE2-CB 4.03Å; Y302-A325 VanDerWaalsContact CZ-CB 3.48Å; Y302-A325 WeakPolarHBondContact OH-CB 3.38Å; E321-A325 PolarHBondContact O-N 3.32Å; E321-A325 VanDerWaalsContact O-N 3.1Å; V322-A325 PolarHBondContact O-N 3.47Å; A325-S327 VanDerWaalsContact C-N 3.33Å; A325-S327 PolarHBondContact O-N 3.46Å; A325-E328 WeakPolarHBondContact O-CB 3.47Å; A325-E328 PolarHBondContact O-N 3.27Å; A325-F329 WeakPolarHBondContact O-CD2 3.31Å; A325-F329 VanDerWaalsContact O-CG 3.31Å; A325-F329 WeakPolarHBondContact O-CG 3.3Å; A325-F329 PolarHBondContact O-N 2.98Å
326	V	97.6	Very high	96.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-66.7	-36.5	177.4	176.4	0	0	0	0	111.4	Y302 V322 E328 F329 I330 F336 L385 L388	Y302-V326 HydrophobicContact CD1-CG2 4.32Å; Y302-V326 HydrophobicContact CE1-CG2 4.16Å; V322-V326 WeakPolarHBondContact O-CG2 3.28Å; V322-V326 PolarHBondContact O-N 3.35Å; V326-E328 VanDerWaalsContact C-N 3.32Å; V326-E328 PolarHBondContact O-N 2.99Å; V326-F329 HydrophobicContact CG2-CD2 4.37Å; V326-F329 WeakPolarHBondContact O-CB 3.4Å; V326-F329 PolarHBondContact O-N 3.46Å; V326-I330 HydrophobicContact CG1-CD1 3.93Å; V326-I330 HydrophobicContact CG1-CG1 4.44Å; V326-I330 WeakPolarHBondContact O-CG1 3.37Å; V326-I330 PolarHBondContact O-N 3.17Å; V326-F336 HydrophobicContact CG1-CE1 4.16Å; V326-F336 HydrophobicContact CG1-CE2 3.98Å; V326-F336 HydrophobicContact CG1-CZ 3.61Å; V326-F336 HydrophobicContact CG2-CE2 4.45Å; V326-L385 HydrophobicContact CB-CD2 3.82Å; V326-L385 HydrophobicContact CG1-CD2 3.99Å; V326-L385 HydrophobicContact CG2-CD2 3.72Å; V326-L388 HydrophobicContact CB-CD2 4.08Å; V326-L388 HydrophobicContact CG1-CD2 3.85Å
327	S	96.8	Very high	96.3	Very high	39 Å²	39	41.5 Å²	41.5	27%	0.273	19%	0.191	S	C	.	.	H	α-helix	trans	-61.4	-40.8	173.4	-175.5	0	0	0	0	111.9	E323 R324 A325 I330 K331	E323-S327 VanDerWaalsContact O-CB 3.28Å; E323-S327 WeakPolarHBondContact O-CB 3.32Å; E323-S327 PolarHBondContact O-N 2.76Å; R324-S327 WeakPolarHBondContact O-CB 3.49Å; R324-S327 PolarHBondContact O-N 3.37Å; A325-S327 VanDerWaalsContact C-N 3.33Å; A325-S327 PolarHBondContact O-N 3.46Å; S327-I330 PolarHBondContact O-N 3.45Å; S327-K331 VanDerWaalsContact O-CB 3.23Å; S327-K331 WeakPolarHBondContact O-CB 3.39Å; S327-K331 PolarHBondContact O-N 2.93Å
328	E	95	Very high	96.4	Very high	56 Å²	56	40.6 Å²	40.6	26%	0.262	19%	0.187	S	C	.	.	H	α-helix	trans	-63	-44.2	172.1	-72.1	179.3	178.6	0	0	111.8	R324 A325 V326 I330 K331 Y332	R324-E328 PolarHBondContact O-N 3.15Å; A325-E328 WeakPolarHBondContact O-CB 3.47Å; A325-E328 PolarHBondContact O-N 3.27Å; V326-E328 VanDerWaalsContact C-N 3.32Å; V326-E328 PolarHBondContact O-N 2.99Å; E328-I330 VanDerWaalsContact C-N 3.33Å; E328-I330 PolarHBondContact O-N 3.35Å; E328-K331 PolarHBondContact O-N 2.87Å; E328-Y332 HydrophobicContact CB-CD2 4.27Å; E328-Y332 HydrophobicContact CB-CE2 4.41Å; E328-Y332 HydrophobicContact CG-CE2 4.5Å; E328-Y332 WeakPolarHBondContact O-CB 3.34Å; E328-Y332 WeakPolarHBondContact O-CD2 3.46Å; E328-Y332 PolarHBondContact O-N 3.26Å
329	F	96	Very high	96.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.2	-47.2	176.6	-60.9	-29	0	0	0	111.8	L277 V280 V299 Y302 A325 V326 Y332 E333 I334 F336	L277-F329 HydrophobicContact CD1-CZ 4.26Å; V280-F329 HydrophobicContact CG2-CD1 4.32Å; V280-F329 HydrophobicContact CG2-CE1 3.33Å; V280-F329 HydrophobicContact CG2-CZ 3.74Å; V299-F329 HydrophobicContact CG1-CZ 4.39Å; V299-F329 HydrophobicContact CG2-CE1 3.96Å; V299-F329 HydrophobicContact CG2-CZ 4.12Å; Y302-F329 AromaticContact CD1-CE2 3.92Å; Y302-F329 HydrophobicContact CD1-CE2 3.92Å; Y302-F329 HydrophobicContact CD2-CE2 4.14Å; Y302-F329 HydrophobicContact CD2-CZ 4.08Å; Y302-F329 HydrophobicContact CE1-CE2 4.42Å; Y302-F329 AromaticContact CG-CE2 3.78Å; Y302-F329 HydrophobicContact CG-CE2 3.78Å; Y302-F329 HydrophobicContact CG-CZ 4.17Å; A325-F329 WeakPolarHBondContact O-CD2 3.31Å; A325-F329 VanDerWaalsContact O-CG 3.31Å; A325-F329 WeakPolarHBondContact O-CG 3.3Å; A325-F329 PolarHBondContact O-N 2.98Å; V326-F329 HydrophobicContact CG2-CD2 4.37Å; V326-F329 WeakPolarHBondContact O-CB 3.4Å; V326-F329 PolarHBondContact O-N 3.46Å; F329-Y332 CarbonylContact O-C 3.56Å; F329-Y332 PolarHBondContact O-N 3.33Å; F329-E333 CarbonylContact O-C 3.52Å; F329-E333 WeakPolarHBondContact O-CA 3.37Å; F329-E333 PolarHBondContact O-N 3.41Å; F329-I334 HydrophobicContact CB-CB 4.22Å; F329-I334 HydrophobicContact CD1-CB 4.22Å; F329-I334 HydrophobicContact CD1-CD1 4.23Å; F329-I334 HydrophobicContact CD1-CG2 4.09Å; F329-I334 PolarHBondContact O-N 3.07Å; F329-F336 HydrophobicContact CB-CB 4.48Å; F329-F336 HydrophobicContact CB-CD1 3.69Å; F329-F336 HydrophobicContact CB-CE1 4.27Å; F329-F336 HydrophobicContact CB-CG 4.28Å; F329-F336 HydrophobicContact CD2-CB 3.64Å; F329-F336 AromaticContact CD2-CD1 3.99Å; F329-F336 HydrophobicContact CD2-CD1 3.99Å; F329-F336 HydrophobicContact CD2-CD2 4.31Å; F329-F336 AromaticContact CD2-CG 3.72Å; F329-F336 HydrophobicContact CD2-CG 3.72Å; F329-F336 HydrophobicContact CE2-CB 4.12Å; F329-F336 HydrophobicContact CG-CB 4.21Å; F329-F336 HydrophobicContact CG-CD1 4.25Å; F329-F336 HydrophobicContact CG-CG 4.36Å
330	I	94.7	Very high	96.5	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-64.6	-47.8	178.4	-65.3	164.8	0	0	0	110.9	F51 V326 S327 E328 Y332 E333 F336 L388 L389 V392	F51-I330 HydrophobicContact CE2-CG2 4.23Å; V326-I330 HydrophobicContact CG1-CD1 3.93Å; V326-I330 HydrophobicContact CG1-CG1 4.44Å; V326-I330 WeakPolarHBondContact O-CG1 3.37Å; V326-I330 PolarHBondContact O-N 3.17Å; S327-I330 PolarHBondContact O-N 3.45Å; E328-I330 VanDerWaalsContact C-N 3.33Å; E328-I330 PolarHBondContact O-N 3.35Å; I330-Y332 VanDerWaalsContact C-N 3.28Å; I330-Y332 PolarHBondContact O-N 2.97Å; I330-E333 PolarHBondContact O-N 2.94Å; I330-E333 VanDerWaalsContact O-N 3.1Å; I330-F336 HydrophobicContact CG1-CE1 4.1Å; I330-L388 HydrophobicContact CD1-CD2 4.11Å; I330-L388 HydrophobicContact CD1-CG 4Å; I330-L389 HydrophobicContact CD1-CD2 3.84Å; I330-V392 HydrophobicContact CD1-CG2 4.32Å; I330-V392 HydrophobicContact CG2-CB 4.32Å; I330-V392 HydrophobicContact CG2-CG1 3.94Å; I330-V392 HydrophobicContact CG2-CG2 4.14Å
331	K	92.6	Very high	96.6	Very high	122 Å²	122	30.4 Å²	30.4	53%	0.53	14%	0.137	S	C	.	.	H	α-helix	trans	-58.6	-38.7	-179.5	-179.9	-175.7	176.9	-170.2	0	112.5	S327 E328	S327-K331 VanDerWaalsContact O-CB 3.23Å; S327-K331 WeakPolarHBondContact O-CB 3.39Å; S327-K331 PolarHBondContact O-N 2.93Å; E328-K331 PolarHBondContact O-N 2.87Å
332	Y	91.1	Very high	96.7	Very high	54 Å²	54	27.8 Å²	27.8	21%	0.212	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	5.7	-179.7	-63.2	-65.7	0	0	0	113.5	L39 E328 F329 I330 I334	L39-Y332 HydrophobicContact CD2-CD1 4.4Å; L39-Y332 HydrophobicContact CD2-CE1 4.31Å; E328-Y332 HydrophobicContact CB-CD2 4.27Å; E328-Y332 HydrophobicContact CB-CE2 4.41Å; E328-Y332 HydrophobicContact CG-CE2 4.5Å; E328-Y332 WeakPolarHBondContact O-CB 3.34Å; E328-Y332 WeakPolarHBondContact O-CD2 3.46Å; E328-Y332 PolarHBondContact O-N 3.26Å; F329-Y332 CarbonylContact O-C 3.56Å; F329-Y332 PolarHBondContact O-N 3.33Å; I330-Y332 VanDerWaalsContact C-N 3.28Å; I330-Y332 PolarHBondContact O-N 2.97Å; Y332-I334 PolarHBondContact O-N 3.17Å
333	E	92.8	Very high	96.7	Very high	56 Å²	56	27.8 Å²	27.8	26%	0.262	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	35.4	177	-54.6	172	130.9	0	0	112.8	F51 R86 F329 I330	F51-E333 HydrophobicContact CZ-CG 4.48Å; R86-E333 IonicContact CZ-OE1 3.84Å; R86-E333 IonicContact CZ-OE2 2.74Å; R86-E333 IonicContact NH1-OE1 2.62Å; R86-E333 PolarHBondContact NH1-OE1 2.94Å; R86-E333 IonicContact NH1-OE2 2.89Å; R86-E333 IonicContact NH2-OE1 3.76Å; R86-E333 PolarHBondContact NH2-OE1 3.01Å; R86-E333 IonicContact NH2-OE2 3.13Å; R86-E333 PolarHBondContact NH2-OE2 3.27Å; F329-E333 CarbonylContact O-C 3.52Å; F329-E333 WeakPolarHBondContact O-CA 3.37Å; F329-E333 PolarHBondContact O-N 3.41Å; I330-E333 PolarHBondContact O-N 2.94Å; I330-E333 VanDerWaalsContact O-N 3.1Å
334	I	95.4	Very high	96.8	Very high	9 Å²	9	25.1 Å²	25.1	5%	0.046	11%	0.113	C	C	.	.			trans	-81.3	118.1	172.2	-59.4	169.4	0	0	0	106.4	F285 L297 V299 F329 Y332	F285-I334 HydrophobicContact CE2-CD1 3.81Å; F285-I334 HydrophobicContact CZ-CD1 3.84Å; F285-I334 HydrophobicContact CZ-CG2 4.37Å; L297-I334 HydrophobicContact CB-CB 4.44Å; L297-I334 HydrophobicContact CB-CG1 4.17Å; L297-I334 HydrophobicContact CB-CG2 3.98Å; L297-I334 HydrophobicContact CD1-CD1 4.28Å; L297-I334 HydrophobicContact CD1-CG1 4Å; V299-I334 HydrophobicContact CG2-CG2 3.85Å; F329-I334 HydrophobicContact CB-CB 4.22Å; F329-I334 HydrophobicContact CD1-CB 4.22Å; F329-I334 HydrophobicContact CD1-CD1 4.23Å; F329-I334 HydrophobicContact CD1-CG2 4.09Å; F329-I334 PolarHBondContact O-N 3.07Å; Y332-I334 PolarHBondContact O-N 3.17Å
335	S	98.1	Very high	96.9	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.014	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	144.2	170.9	-73.8	0	0	0	0	109.5	F80 I89 L297 L298 V299	F80-S335 VanDerWaalsContact CD2-OG 3.28Å; F80-S335 WeakPolarHBondContact CD2-OG 3.46Å; I89-S335 PolarHBondContact N-OG 2.64Å; I89-S335 WeakPolarHBondContact O-CA 3.48Å; L297-S335 PolarHBondContact O-N 2.66Å; L298-S335 CarbonylContact C-O 3.1Å; L298-S335 VanDerWaalsContact CA-O 3.3Å; L298-S335 WeakPolarHBondContact CA-O 3.28Å; V299-S335 PolarHBondContact N-O 3.19Å
336	F	98.6	Very high	97	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	155.1	-174.3	65.3	-88.2	0	0	0	111.8	I89 C90 G91 F116 V299 V326 F329 I330 V338	I89-F336 PolarHBondContact O-N 3.28Å; C90-F336 HydrophobicContact CB-CE1 4.43Å; C90-F336 HydrophobicContact CB-CZ 4.05Å; G91-F336 WeakPolarHBondContact CA-O 3.43Å; G91-F336 PolarHBondContact N-O 2.86Å; F116-F336 AromaticContact CE1-CE2 3.97Å; F116-F336 HydrophobicContact CE1-CE2 3.97Å; V299-F336 HydrophobicContact CB-CB 4.29Å; V299-F336 CarbonylContact O-C 3.55Å; V299-F336 VanDerWaalsContact O-CA 3.3Å; V299-F336 WeakPolarHBondContact O-CA 3.22Å; V326-F336 HydrophobicContact CG1-CE1 4.16Å; V326-F336 HydrophobicContact CG1-CE2 3.98Å; V326-F336 HydrophobicContact CG1-CZ 3.61Å; V326-F336 HydrophobicContact CG2-CE2 4.45Å; F329-F336 HydrophobicContact CB-CB 4.48Å; F329-F336 HydrophobicContact CB-CD1 3.69Å; F329-F336 HydrophobicContact CB-CE1 4.27Å; F329-F336 HydrophobicContact CB-CG 4.28Å; F329-F336 HydrophobicContact CD2-CB 3.64Å; F329-F336 AromaticContact CD2-CD1 3.99Å; F329-F336 HydrophobicContact CD2-CD1 3.99Å; F329-F336 HydrophobicContact CD2-CD2 4.31Å; F329-F336 AromaticContact CD2-CG 3.72Å; F329-F336 HydrophobicContact CD2-CG 3.72Å; F329-F336 HydrophobicContact CE2-CB 4.12Å; F329-F336 HydrophobicContact CG-CB 4.21Å; F329-F336 HydrophobicContact CG-CD1 4.25Å; F329-F336 HydrophobicContact CG-CG 4.36Å; I330-F336 HydrophobicContact CG1-CE1 4.1Å; F336-V338 HydrophobicContact CD2-CG2 4.07Å; F336-V338 HydrophobicContact CE2-CG2 4.08Å
337	N	98.9	Very high	97	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	120.3	168.9	172.4	64.3	0	0	0	109.5	G91 G92 S93 T120 V299 M300 Y302 Y339	G91-N337 CarbonylContact O-C 3.6Å; G91-N337 VanDerWaalsContact O-CA 3.27Å; G91-N337 WeakPolarHBondContact O-CA 3.43Å; G91-N337 PolarHBondContact O-OD1 3.07Å; G92-N337 WeakPolarHBondContact CA-OD1 3.28Å; G92-N337 PolarHBondContact N-OD1 3.05Å; G92-N337 VanDerWaalsContact N-OD1 3.16Å; S93-N337 PolarHBondContact N-OD1 3.02Å; S93-N337 PolarHBondContact OG-ND2 2.85Å; S93-N337 PolarHBondContact OG-OD1 3.18Å; T120-N337 WeakPolarHBondContact CB-OD1 3.34Å; T120-N337 PolarHBondContact OG1-OD1 3.38Å; V299-N337 PolarHBondContact O-N 3.45Å; M300-N337 VanDerWaalsContact O-CB 3.27Å; M300-N337 WeakPolarHBondContact O-CB 3.38Å; M300-N337 PolarHBondContact O-ND2 3.24Å; M300-N337 HydrophobicContact SD-CB 4.45Å; Y302-N337 PolarHBondContact N-O 3.39Å; N337-Y339 PolarHBondContact O-N 3.39Å
338	V	98.8	Very high	97.1	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	123.4	178	167.3	0	0	0	0	109.3	G91 S93 F116 Y302 V304 F336 F341 V371	G91-V338 PolarHBondContact O-N 3.03Å; S93-V338 WeakPolarHBondContact CB-O 3.34Å; S93-V338 PolarHBondContact N-O 2.93Å; S93-V338 PolarHBondContact OG-O 3.31Å; S93-V338 VanDerWaalsContact OG-O 3.11Å; F116-V338 HydrophobicContact CE1-CB 4.21Å; F116-V338 HydrophobicContact CE1-CG2 3.9Å; F116-V338 HydrophobicContact CZ-CB 4.44Å; F116-V338 HydrophobicContact CZ-CG2 4.01Å; Y302-V338 HydrophobicContact CD1-CG2 4.46Å; V304-V338 HydrophobicContact CB-CG1 4.17Å; V304-V338 HydrophobicContact CG1-CB 4.38Å; V304-V338 HydrophobicContact CG1-CG1 3.5Å; V304-V338 HydrophobicContact CG1-CG2 4.26Å; V304-V338 HydrophobicContact CG2-CG1 3.6Å; F336-V338 HydrophobicContact CD2-CG2 4.07Å; F336-V338 HydrophobicContact CE2-CG2 4.08Å; V338-F341 PolarHBondContact O-N 3.16Å; V338-V371 HydrophobicContact CG1-CG2 3.69Å
339	Y	98.8	Very high	97.2	Very high	3 Å²	3	14.3 Å²	14.3	1%	0.012	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	109.9	176.9	-165.4	-78.5	0	0	0	109	S93 H95 Y122 E301 Y302 W303 V304 N337 Y366 Y368	S93-Y339 WeakPolarHBondContact OG-CD2 3.27Å; H95-Y339 AromaticContact CE1-CE2 3.97Å; H95-Y339 PolarHBondContact CE1-OH 2.91Å; H95-Y339 AromaticContact NE2-CE2 3.95Å; Y122-Y339 AromaticContact CE2-CE2 3.85Å; Y122-Y339 HydrophobicContact CE2-CE2 3.85Å; E301-Y339 HydrophobicContact CB-CG 4.36Å; E301-Y339 HydrophobicContact CG-CD2 3.96Å; E301-Y339 HydrophobicContact CG-CG 4.2Å; Y302-Y339 PolarHBondContact O-N 3.09Å; Y302-Y339 VanDerWaalsContact O-O 3.1Å; W303-Y339 CarbonylContact C-O 3.56Å; W303-Y339 VanDerWaalsContact CA-O 3.23Å; W303-Y339 WeakPolarHBondContact CA-O 3.4Å; W303-Y339 AromaticContact CD1-CD1 3.73Å; V304-Y339 PolarHBondContact N-O 3.17Å; N337-Y339 PolarHBondContact O-N 3.39Å; Y339-Y366 PolarHBondContact OH-OH 3.12Å; Y339-Y368 HydrophobicContact CD1-CE1 4.17Å; Y339-Y368 HydrophobicContact CD1-CE2 4.33Å; Y339-Y368 AromaticContact CD1-CZ 3.77Å; Y339-Y368 HydrophobicContact CE1-CE2 4.05Å; Y339-Y368 AromaticContact CE1-CZ 3.95Å; Y339-Y368 VanDerWaalsContact O-CE1 3.25Å; Y339-Y368 WeakPolarHBondContact O-CE1 3.34Å
340	M	98.8	Very high	97.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-95.2	143.4	-7.2	-64.3	-57	-70.6	0	0	111.5	V304 H342 Y366 Y368 A370 V371	V304-M340 VanDerWaalsContact CG2-O 3.22Å; V304-M340 WeakPolarHBondContact CG2-O 2.98Å; M340-H342 WeakPolarHBondContact CE-O 3.23Å; M340-Y366 HydrophobicContact CG-CE1 3.83Å; M340-Y366 HydrophobicContact SD-CE1 4.36Å; M340-Y368 HydrophobicContact CB-CD1 4.05Å; M340-Y368 HydrophobicContact CB-CG 4.22Å; M340-Y368 HydrophobicContact CG-CD1 4Å; M340-Y368 HydrophobicContact CG-CD2 4.14Å; M340-Y368 HydrophobicContact CG-CE1 4.35Å; M340-Y368 HydrophobicContact CG-CE2 4.47Å; M340-Y368 HydrophobicContact CG-CG 3.9Å; M340-A370 HydrophobicContact CB-CB 3.96Å; M340-A370 VanDerWaalsContact O-CB 3.28Å; M340-A370 WeakPolarHBondContact O-CB 3.25Å; M340-V371 PolarHBondContact O-N 3.23Å
341	F	98.9	Very high	97.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-45.8	162.4	-177.6	-88.7	0	0	0	109.5	S93 I94 L111 C114 F116 V338 V371 L372 Y382	S93-F341 PolarHBondContact O-N 3.35Å; I94-F341 HydrophobicContact CD1-CD1 3.94Å; I94-F341 HydrophobicContact CG1-CB 4.44Å; I94-F341 HydrophobicContact CG1-CD1 4.17Å; L111-F341 VanDerWaalsContact CA-CZ 3.43Å; L111-F341 HydrophobicContact CB-CD1 4.08Å; L111-F341 HydrophobicContact CB-CE1 3.69Å; L111-F341 HydrophobicContact CB-CZ 4.05Å; L111-F341 HydrophobicContact CD1-CB 4.17Å; L111-F341 HydrophobicContact CD1-CD1 3.64Å; L111-F341 HydrophobicContact CD1-CD2 3.44Å; L111-F341 VanDerWaalsContact CD1-CD2 3.44Å; L111-F341 HydrophobicContact CD1-CE1 3.83Å; L111-F341 HydrophobicContact CD1-CE2 3.65Å; L111-F341 HydrophobicContact CD1-CG 3.45Å; L111-F341 VanDerWaalsContact CD1-CG 3.45Å; L111-F341 HydrophobicContact CD1-CZ 3.85Å; L111-F341 HydrophobicContact CG-CD1 4.41Å; L111-F341 HydrophobicContact CG-CE1 4.37Å; C114-F341 HydrophobicContact CB-CE2 4.06Å; C114-F341 HydrophobicContact CB-CZ 4.05Å; F116-F341 HydrophobicContact CD2-CD2 4.15Å; F116-F341 AromaticContact CD2-CE2 3.78Å; F116-F341 HydrophobicContact CD2-CE2 3.78Å; F116-F341 HydrophobicContact CE1-CD2 4.45Å; F116-F341 AromaticContact CE2-CD2 3.76Å; F116-F341 HydrophobicContact CE2-CD2 3.76Å; F116-F341 AromaticContact CE2-CE2 3.5Å; F116-F341 HydrophobicContact CE2-CE2 3.5Å; F116-F341 VanDerWaalsContact CE2-CE2 3.5Å; F116-F341 AromaticContact CZ-CD2 3.92Å; F116-F341 HydrophobicContact CZ-CD2 3.92Å; F116-F341 HydrophobicContact CZ-CE2 4.13Å; V338-F341 PolarHBondContact O-N 3.16Å; F341-V371 HydrophobicContact CD2-CB 3.77Å; F341-V371 HydrophobicContact CD2-CG1 3.94Å; F341-V371 HydrophobicContact CD2-CG2 3.94Å; F341-V371 HydrophobicContact CE2-CB 3.94Å; F341-V371 HydrophobicContact CE2-CG1 3.6Å; F341-V371 HydrophobicContact CE2-CG2 4.44Å; F341-V371 HydrophobicContact CG-CB 4.23Å; F341-V371 HydrophobicContact CZ-CG1 4.17Å; F341-V371 CarbonylContact O-C 3.58Å; F341-V371 WeakPolarHBondContact O-CB 3.35Å; F341-V371 PolarHBondContact O-N 2.94Å; F341-L372 HydrophobicContact CD1-CD1 4.29Å; F341-L372 HydrophobicContact CD1-CG 4.39Å; F341-L372 HydrophobicContact CE1-CD1 3.64Å; F341-L372 HydrophobicContact CE1-CG 3.81Å; F341-L372 HydrophobicContact CZ-CD1 4.45Å; F341-L372 HydrophobicContact CZ-CG 4.3Å; F341-L372 PolarHBondContact O-N 3.14Å; F341-Y382 HydrophobicContact CZ-CD2 4.12Å; F341-Y382 HydrophobicContact CZ-CE2 4.04Å
342	H	98.9	Very high	97.8	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.005	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	117.8	169.6	177.5	50.7	0	0	0	108.9	S93 I94 R107 M340 L372 T373 E374	S93-H342 PolarHBondContact O-N 2.68Å; S93-H342 VanDerWaalsContact O-N 3.17Å; I94-H342 HydrophobicContact CD1-CB 4.41Å; I94-H342 HydrophobicContact CG1-CB 4.13Å; R107-H342 PolarHBondContact NE-NE2 2.94Å; M340-H342 WeakPolarHBondContact CE-O 3.23Å; H342-L372 HydrophobicContact CB-CB 4.14Å; H342-L372 HydrophobicContact CB-CD1 4.25Å; H342-T373 PolarHBondContact CE1-O 3.45Å; H342-T373 PolarHBondContact ND1-O 3.31Å; H342-E374 PolarHBondContact CE1-O 3.17Å; H342-E374 VanDerWaalsContact CE1-O 3.28Å
343	G	98.8	Very high	98.1	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.035	C	C	.	.			trans	-83.9	-46.2	-177.7	0	0	0	0	0	113.4	R98 Y366	R98-G343 WeakPolarHBondContact CB-O 3.47Å; R98-G343 WeakPolarHBondContact CD-O 3.48Å; G343-Y366 CarbonylContact C-O 3.48Å; G343-Y366 VanDerWaalsContact C-O 3.22Å; G343-Y366 WeakPolarHBondContact CA-O 3.43Å
344	G	98.6	Very high	98.2	Very high	1 Å²	1	4.7 Å²	4.7	1%	0.01	3%	0.025	C	C	.	.			trans	82.9	-139.5	178.5	0	0	0	0	0	113	Y366 D367	G344-Y366 PolarHBondContact N-O 3.44Å; G344-Y366 CarbonylContact O-C 3.56Å; G344-Y366 WeakPolarHBondContact O-CA 3.38Å; G344-Y366 WeakPolarHBondContact O-CB 3.2Å; G344-Y366 PolarHBondContact O-N 3.06Å; G344-D367 PolarHBondContact O-N 3.45Å
345	T	98.9	Very high	98.1	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.012	3%	0.034	C	C	.	.	B	Isolated β-bridge	trans	-131	138.3	-173.9	-49.2	0	0	0	0	111.7	R98 F347 T364 E374	R98-T345 WeakPolarHBondContact CB-O 3.29Å; R98-T345 WeakPolarHBondContact CG-O 3.2Å; R98-T345 PolarHBondContact O-N 3.3Å; R98-T345 VanDerWaalsContact O-N 3.14Å; T345-F347 VanDerWaalsContact C-N 3.27Å; T345-F347 HydrophobicContact CG2-CD1 3.75Å; T345-F347 HydrophobicContact CG2-CD2 4.41Å; T345-F347 HydrophobicContact CG2-CE1 3.71Å; T345-F347 HydrophobicContact CG2-CE2 4.37Å; T345-F347 HydrophobicContact CG2-CG 4.11Å; T345-F347 HydrophobicContact CG2-CZ 4.04Å; T345-F347 PolarHBondContact O-N 3.38Å; T345-F347 VanDerWaalsContact O-N 3.1Å; T345-T364 HydrophobicContact CG2-CG2 3.91Å; T345-T364 WeakPolarHBondContact CG2-O 3.34Å; T345-E374 WeakPolarHBondContact CB-OE1 3.45Å; T345-E374 VanDerWaalsContact CG2-OE1 3.27Å; T345-E374 WeakPolarHBondContact CG2-OE1 3.46Å; T345-E374 WeakPolarHBondContact OG1-CG 3.42Å; T345-E374 PolarHBondContact OG1-OE1 3.27Å
346	N	98.8	Very high	97.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.066	C	C	.	.			trans	-78.8	73.1	165	-63.2	-44.2	0	0	0	109.9	R98 M350 N351 V363 T364	R98-N346 PolarHBondContact NE-OD1 3.43Å; R98-N346 PolarHBondContact NH2-OD1 2.83Å; N346-M350 HydrophobicContact CB-CB 4.45Å; N346-N351 HydrophobicContact CB-CB 4.2Å; N346-V363 PolarHBondContact ND2-O 2.99Å; N346-T364 WeakPolarHBondContact CA-O 3.28Å; N346-T364 WeakPolarHBondContact CB-O 3.39Å; N346-T364 PolarHBondContact N-O 2.87Å
347	F	98.6	Very high	96.8	Very high	17 Å²	17	16.8 Å²	16.8	8%	0.075	10%	0.099	C	C	.	.			trans	-59.3	148.5	-178.3	-69.4	-67.7	0	0	0	112.5	P100 T345 F349 M350 Y620 P622 W625	P100-F347 HydrophobicContact CG-CE2 4.24Å; P100-F347 HydrophobicContact CG-CZ 4.32Å; T345-F347 VanDerWaalsContact C-N 3.27Å; T345-F347 HydrophobicContact CG2-CD1 3.75Å; T345-F347 HydrophobicContact CG2-CD2 4.41Å; T345-F347 HydrophobicContact CG2-CE1 3.71Å; T345-F347 HydrophobicContact CG2-CE2 4.37Å; T345-F347 HydrophobicContact CG2-CG 4.11Å; T345-F347 HydrophobicContact CG2-CZ 4.04Å; T345-F347 PolarHBondContact O-N 3.38Å; T345-F347 VanDerWaalsContact O-N 3.1Å; F347-F349 PolarHBondContact O-N 2.84Å; F347-M350 HydrophobicContact CB-SD 4.35Å; F347-M350 VanDerWaalsContact O-CB 3.32Å; F347-M350 WeakPolarHBondContact O-CB 3.49Å; F347-M350 WeakPolarHBondContact O-CG 3.38Å; F347-M350 PolarHBondContact O-N 3.02Å; F347-Y620 HydrophobicContact CZ-CD1 4.25Å; F347-P622 HydrophobicContact CZ-CG 4.26Å; F347-W625 HydrophobicContact CB-CH2 4.07Å; F347-W625 AromaticContact CD1-CH2 3.35Å; F347-W625 HydrophobicContact CD1-CH2 3.35Å; F347-W625 HydrophobicContact CD1-CZ2 4.24Å; F347-W625 AromaticContact CD1-CZ3 3.74Å; F347-W625 HydrophobicContact CD1-CZ3 3.74Å; F347-W625 HydrophobicContact CD2-CH2 4Å; F347-W625 HydrophobicContact CD2-CZ2 4.24Å; F347-W625 AromaticContact CE1-CH2 3.67Å; F347-W625 HydrophobicContact CE1-CH2 3.67Å; F347-W625 HydrophobicContact CE1-CZ2 4.26Å; F347-W625 AromaticContact CE1-CZ3 3.93Å; F347-W625 HydrophobicContact CE1-CZ3 3.93Å; F347-W625 HydrophobicContact CE2-CH2 4.27Å; F347-W625 HydrophobicContact CE2-CZ2 4.26Å; F347-W625 AromaticContact CG-CH2 3.54Å; F347-W625 HydrophobicContact CG-CH2 3.54Å; F347-W625 HydrophobicContact CG-CZ2 4.23Å; F347-W625 HydrophobicContact CG-CZ3 4.35Å; F347-W625 HydrophobicContact CZ-CH2 4.12Å; F347-W625 HydrophobicContact CZ-CZ2 4.27Å
348	G	97.6	Very high	96.3	Very high	8 Å²	8	23.2 Å²	23.2	8%	0.082	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	-119.2	178.4	0	0	0	0	0	114	N606 G608	G348-N606 WeakPolarHBondContact CA-ND2 3.34Å; G348-N606 PolarHBondContact N-O 2.77Å; G348-G608 WeakPolarHBondContact O-CA 3.2Å
349	F	97.9	Very high	96.1	Very high	22 Å²	22	23.8 Å²	23.8	10%	0.096	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	23.7	-178.2	-58.3	-72.9	0	0	0	112.5	F347 N351 Y452 F454 M549 F599 N606	F347-F349 PolarHBondContact O-N 2.84Å; F349-N351 VanDerWaalsContact C-N 3.25Å; F349-N351 PolarHBondContact O-N 3.33Å; F349-Y452 HydrophobicContact CB-CD1 4.01Å; F349-Y452 HydrophobicContact CB-CG 3.89Å; F349-F454 HydrophobicContact CE1-CE2 4.34Å; F349-F454 HydrophobicContact CZ-CE2 4.46Å; F349-M549 HydrophobicContact CE2-CB 4.18Å; F349-M549 HydrophobicContact CZ-CB 4.36Å; F349-M549 HydrophobicContact CZ-SD 4.16Å; F349-F599 HydrophobicContact CD1-CD1 4.35Å; F349-F599 AromaticContact CD1-CE1 3.52Å; F349-F599 HydrophobicContact CD1-CE1 3.52Å; F349-F599 AromaticContact CD1-CZ 3.86Å; F349-F599 HydrophobicContact CD1-CZ 3.86Å; F349-F599 AromaticContact CE1-CD1 3.74Å; F349-F599 HydrophobicContact CE1-CD1 3.74Å; F349-F599 HydrophobicContact CE1-CD2 4.49Å; F349-F599 AromaticContact CE1-CE1 3.17Å; F349-F599 HydrophobicContact CE1-CE1 3.17Å; F349-F599 HydrophobicContact CE1-CE2 4.06Å; F349-F599 HydrophobicContact CE1-CG 4.36Å; F349-F599 AromaticContact CE1-CZ 3.37Å; F349-F599 HydrophobicContact CE1-CZ 3.37Å; F349-F599 HydrophobicContact CZ-CD1 4.18Å; F349-F599 HydrophobicContact CZ-CE1 4.06Å; F349-F599 HydrophobicContact CZ-CZ 4.41Å; F349-N606 VanDerWaalsContact CE2-ND2 3.32Å; F349-N606 WeakPolarHBondContact CE2-ND2 3.45Å
350	M	97.6	Very high	96	Very high	22 Å²	22	24.9 Å²	24.9	11%	0.108	14%	0.136	C	C	.	.			trans	-72	-17.6	-176.6	-72.2	171.6	53.2	0	0	113.8	F97 R98 L127 M169 D170 N346 F347	F97-M350 HydrophobicContact CD2-CE 3.73Å; R98-M350 HydrophobicContact CG-CE 4.3Å; L127-M350 HydrophobicContact CD1-CE 3.94Å; L127-M350 HydrophobicContact CD1-SD 4.22Å; L127-M350 HydrophobicContact CD2-CG 4.35Å; M169-M350 WeakPolarHBondContact CA-O 3.39Å; M169-M350 HydrophobicContact CE-CE 4.23Å; M169-M350 WeakPolarHBondContact CG-O 3.42Å; D170-M350 PolarHBondContact N-O 2.91Å; N346-M350 HydrophobicContact CB-CB 4.45Å; F347-M350 HydrophobicContact CB-SD 4.35Å; F347-M350 VanDerWaalsContact O-CB 3.32Å; F347-M350 WeakPolarHBondContact O-CB 3.49Å; F347-M350 WeakPolarHBondContact O-CG 3.38Å; F347-M350 PolarHBondContact O-N 3.02Å
351	N	98.6	Very high	95.9	Very high	3 Å²	3	25 Å²	25	2%	0.016	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-60.6	139.9	-174.9	75.2	-86.2	0	0	0	111.2	N346 F349 I362 Q512 G513	N346-N351 HydrophobicContact CB-CB 4.2Å; F349-N351 VanDerWaalsContact C-N 3.25Å; F349-N351 PolarHBondContact O-N 3.33Å; N351-I362 WeakPolarHBondContact CB-O 3.43Å; N351-I362 PolarHBondContact ND2-O 3.34Å; N351-Q512 PolarHBondContact ND2-O 3.2Å; N351-G513 WeakPolarHBondContact O-CA 3.45Å
352	G	98.4	Very high	95.9	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.			trans	-85.7	-170.7	165.4	0	0	0	0	0	112	E168 M169 I362 R514	E168-G352 PolarHBondContact O-N 3.15Å; M169-G352 VanDerWaalsContact C-CA 3.45Å; G352-I362 WeakPolarHBondContact O-CB 3.27Å; G352-I362 WeakPolarHBondContact O-CG1 3.43Å; G352-I362 PolarHBondContact O-N 2.73Å; G352-R514 WeakPolarHBondContact CA-O 3.48Å
353	A	98.1	Very high	95.9	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	165.4	170.3	0	0	0	0	0	112.4	H359 T360 G513 R514 V515 N516	A353-H359 WeakPolarHBondContact CB-CE1 3.4Å; A353-H359 VanDerWaalsContact CB-NE2 3.26Å; A353-H359 WeakPolarHBondContact CB-NE2 3.29Å; A353-T360 WeakPolarHBondContact CA-O 3.39Å; A353-T360 WeakPolarHBondContact CB-O 3.39Å; A353-G513 WeakPolarHBondContact CB-O 3.33Å; A353-R514 PolarHBondContact N-O 2.96Å; A353-V515 HydrophobicContact CB-CG2 4.31Å; A353-V515 WeakPolarHBondContact O-CA 3.31Å; A353-N516 PolarHBondContact N-ND2 3.05Å; A353-N516 PolarHBondContact O-N 2.73Å; A353-N516 VanDerWaalsContact O-N 3.16Å; A353-N516 PolarHBondContact O-ND2 2.89Å
354	T	95.9	Very high	95.9	Very high	9 Å²	9	25.1 Å²	25.1	6%	0.055	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	153	168	66.6	0	0	0	0	110.1	F307 R309 F356 T360	F307-T354 HydrophobicContact CE2-CG2 3.99Å; F307-T354 HydrophobicContact CZ-CG2 4.12Å; R309-T354 WeakPolarHBondContact CD-OG1 3.34Å; R309-T354 PolarHBondContact NH1-OG1 2.86Å; T354-F356 HydrophobicContact CG2-CE2 4.05Å; T354-T360 PolarHBondContact N-O 3.16Å; T354-T360 PolarHBondContact O-N 3.33Å
355	N	91.9	Very high	95.9	Very high	43 Å²	43	25.3 Å²	25.3	23%	0.23	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	102.1	170	-171.9	-10	0	0	0	110.4	G357 K358 V515 Q520	N355-G357 PolarHBondContact OD1-N 2.54Å; N355-K358 PolarHBondContact OD1-N 3.03Å; N355-V515 HydrophobicContact CB-CG2 3.87Å; N355-Q520 HydrophobicContact CB-CG 4.11Å
356	F	85.7	Confident	95.9	Very high	154 Å²	154	25.3 Å²	25.3	68%	0.675	14%	0.14	S	C	*	.	S	Bend	trans	-121.3	53.1	173.3	-58.8	-68.7	0	0	0	110.2	T354	T354-F356 HydrophobicContact CG2-CE2 4.05Å
357	G	84	Confident	95.9	Very high	68 Å²	68	26 Å²	26	70%	0.701	14%	0.143	S	C	*	.	S	Bend	trans	94.1	-8.2	-173.6	0	0	0	0	0	113.8	N355	N355-G357 PolarHBondContact OD1-N 2.54Å
358	K	89.1	Confident	95.9	Very high	134 Å²	134	25.3 Å²	25.3	58%	0.583	14%	0.14	S	C	*	.	S	Bend	trans	-151.2	137.4	171.2	-178.1	-177.9	174.2	-174	0	108.6	N355 T360	N355-K358 PolarHBondContact OD1-N 3.03Å; K358-T360 PolarHBondContact O-N 3.2Å
359	H	94.3	Very high	95.9	Very high	12 Å²	12	26.3 Å²	26.3	6%	0.056	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	119	166.9	-174	103	0	0	0	110.1	A353 D473 E489 G513 K526	A353-H359 WeakPolarHBondContact CB-CE1 3.4Å; A353-H359 VanDerWaalsContact CB-NE2 3.26Å; A353-H359 WeakPolarHBondContact CB-NE2 3.29Å; H359-D473 IonicContact CD2-OD1 3.74Å; H359-D473 VanDerWaalsContact CE1-CG 3.49Å; H359-D473 IonicContact CE1-OD1 2.81Å; H359-D473 PolarHBondContact CE1-OD1 3.47Å; H359-D473 VanDerWaalsContact CE1-OD1 3.31Å; H359-D473 IonicContact CE1-OD2 3.02Å; H359-D473 IonicContact CG-OD1 3.83Å; H359-D473 IonicContact ND1-OD1 3.9Å; H359-D473 PolarHBondContact ND1-OD1 2.84Å; H359-D473 IonicContact NE2-OD1 3.54Å; H359-D473 IonicContact NE2-OD2 3.87Å; H359-D473 PolarHBondContact NE2-OD2 3.18Å; H359-E489 WeakPolarHBondContact CB-OE2 3.27Å; H359-G513 PolarHBondContact CE1-O 3.05Å; H359-G513 PolarHBondContact NE2-O 3.26Å; H359-G513 VanDerWaalsContact NE2-O 3.17Å; H359-K526 PolarHBondContact CE1-NZ 3.06Å
360	T	95.9	Very high	96	Very high	26 Å²	26	25.3 Å²	25.3	16%	0.16	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	117.3	176	-49.1	0	0	0	0	109.9	R309 W310 A353 T354 K358	R309-T360 HydrophobicContact CB-CG2 3.75Å; W310-T360 WeakPolarHBondContact O-CG2 3.38Å; A353-T360 WeakPolarHBondContact CA-O 3.39Å; A353-T360 WeakPolarHBondContact CB-O 3.39Å; T354-T360 PolarHBondContact N-O 3.16Å; T354-T360 PolarHBondContact O-N 3.33Å; K358-T360 PolarHBondContact O-N 3.2Å
361	G	97.4	Very high	96	Very high	3 Å²	3	24.3 Å²	24.3	3%	0.031	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	142.4	175.5	0	0	0	0	0	112.4	W310	W310-G361 PolarHBondContact N-O 2.98Å; W310-G361 VanDerWaalsContact N-O 3.13Å
362	I	98.6	Very high	96	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-74.6	145.1	172.9	-63.3	179.2	0	0	0	108.8	E168 F307 D308 R309 W310 N351 G352 N516	E168-I362 HydrophobicContact CB-CD1 3.37Å; E168-I362 HydrophobicContact CB-CG2 4.44Å; E168-I362 HydrophobicContact CG-CD1 3.46Å; E168-I362 VanDerWaalsContact CG-CD1 3.46Å; F307-I362 HydrophobicContact CD2-CD1 3.84Å; F307-I362 HydrophobicContact CD2-CG1 4.01Å; F307-I362 HydrophobicContact CD2-CG2 4.17Å; F307-I362 HydrophobicContact CE2-CD1 3.75Å; F307-I362 HydrophobicContact CE2-CG1 4.03Å; F307-I362 HydrophobicContact CZ-CD1 4.46Å; D308-I362 WeakPolarHBondContact O-CA 3.23Å; D308-I362 WeakPolarHBondContact O-CG2 3.43Å; R309-I362 HydrophobicContact CG-CG1 4.41Å; W310-I362 PolarHBondContact NE1-O 2.89Å; N351-I362 WeakPolarHBondContact CB-O 3.43Å; N351-I362 PolarHBondContact ND2-O 3.34Å; G352-I362 WeakPolarHBondContact O-CB 3.27Å; G352-I362 WeakPolarHBondContact O-CG1 3.43Å; G352-I362 PolarHBondContact O-N 2.73Å; I362-N516 WeakPolarHBondContact CD1-ND2 3.46Å
363	V	98.7	Very high	96.1	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-68.8	164.7	-177.7	-51.4	0	0	0	0	112.2	D308 W310 N346 S365 Q616	D308-V363 HydrophobicContact CB-CG1 4.03Å; D308-V363 HydrophobicContact CB-CG2 3.73Å; D308-V363 PolarHBondContact O-N 3.07Å; W310-V363 HydrophobicContact CD2-CB 4.37Å; W310-V363 HydrophobicContact CD2-CG1 3.77Å; W310-V363 HydrophobicContact CE3-CG1 4.03Å; W310-V363 HydrophobicContact CG-CG1 4.12Å; W310-V363 HydrophobicContact CH2-CB 4.37Å; W310-V363 HydrophobicContact CZ2-CB 4.01Å; W310-V363 HydrophobicContact CZ2-CG1 4.29Å; W310-V363 HydrophobicContact CZ3-CG1 4.38Å; N346-V363 PolarHBondContact ND2-O 2.99Å; V363-S365 VanDerWaalsContact CG2-O 3.29Å; V363-S365 WeakPolarHBondContact CG2-O 3.06Å; V363-Q616 HydrophobicContact CB-CB 4.3Å; V363-Q616 HydrophobicContact CG2-CB 4.48Å
364	T	98.9	Very high	96.1	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.012	14%	0.143	C	C	.	.	S	Bend	trans	-67.8	-41.6	-179.4	-59.6	0	0	0	0	111	T345 N346 Y366 L607 R609 L619	T345-T364 HydrophobicContact CG2-CG2 3.91Å; T345-T364 WeakPolarHBondContact CG2-O 3.34Å; N346-T364 WeakPolarHBondContact CA-O 3.28Å; N346-T364 WeakPolarHBondContact CB-O 3.39Å; N346-T364 PolarHBondContact N-O 2.87Å; T364-Y366 PolarHBondContact O-N 3.41Å; T364-L607 WeakPolarHBondContact CG2-O 3.49Å; T364-R609 PolarHBondContact OG1-N 3.1Å; T364-R609 PolarHBondContact OG1-O 3.23Å; T364-L619 HydrophobicContact CG2-CD2 3.63Å
365	S	98.8	Very high	96.2	Very high	6 Å²	6	25.4 Å²	25.4	4%	0.042	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-63.7	134.2	172.6	-172.1	0	0	0	0	109.9	V363 D367 E374	V363-S365 VanDerWaalsContact CG2-O 3.29Å; V363-S365 WeakPolarHBondContact CG2-O 3.06Å; S365-D367 WeakPolarHBondContact OG-CB 3.22Å; S365-D367 PolarHBondContact OG-N 2.81Å; S365-E374 VanDerWaalsContact CB-OE2 3.28Å; S365-E374 WeakPolarHBondContact CB-OE2 3.35Å; S365-E374 PolarHBondContact OG-OE2 2.88Å
366	Y	98.8	Very high	96.5	Very high	1 Å²	1	23.4 Å²	23.4	0%	0.004	13%	0.131	C	C	.	.			trans	-117.9	39.2	166	-158.1	-108.2	0	0	0	109	R98 E168 F307 Y339 M340 G343 G344 T364 Y368	R98-Y366 VanDerWaalsContact CZ-CD1 3.41Å; R98-Y366 VanDerWaalsContact CZ-CE1 3.48Å; E168-Y366 HydrophobicContact CB-CE2 3.6Å; E168-Y366 HydrophobicContact CG-CE2 4.11Å; E168-Y366 PolarHBondContact OE2-OH 2.9Å; F307-Y366 HydrophobicContact CB-CD2 4.29Å; F307-Y366 HydrophobicContact CB-CE2 3.82Å; Y339-Y366 PolarHBondContact OH-OH 3.12Å; M340-Y366 HydrophobicContact CG-CE1 3.83Å; M340-Y366 HydrophobicContact SD-CE1 4.36Å; G343-Y366 CarbonylContact C-O 3.48Å; G343-Y366 VanDerWaalsContact C-O 3.22Å; G343-Y366 WeakPolarHBondContact CA-O 3.43Å; G344-Y366 PolarHBondContact N-O 3.44Å; G344-Y366 CarbonylContact O-C 3.56Å; G344-Y366 WeakPolarHBondContact O-CA 3.38Å; G344-Y366 WeakPolarHBondContact O-CB 3.2Å; G344-Y366 PolarHBondContact O-N 3.06Å; T364-Y366 PolarHBondContact O-N 3.41Å; Y366-Y368 HydrophobicContact CE1-CD2 4.04Å; Y366-Y368 HydrophobicContact CE2-CD2 4.05Å; Y366-Y368 HydrophobicContact CE2-CE2 4.49Å; Y366-Y368 AromaticContact CZ-CD2 3.74Å; Y366-Y368 PolarHBondContact O-N 3Å
367	D	98.8	Very high	97.1	Very high	14 Å²	14	17.7 Å²	17.7	8%	0.075	11%	0.108	C	C	.	.			trans	-50.3	-42.1	173.6	-178.7	-88.7	0	0	0	111.5	G344 S365 D369 A370 T373 E374 L653	G344-D367 PolarHBondContact O-N 3.45Å; S365-D367 WeakPolarHBondContact OG-CB 3.22Å; S365-D367 PolarHBondContact OG-N 2.81Å; D367-D369 PolarHBondContact O-N 3.1Å; D367-D369 VanDerWaalsContact O-N 3.13Å; D367-D369 VanDerWaalsContact OD1-CA 3.27Å; D367-D369 WeakPolarHBondContact OD1-CA 3.36Å; D367-D369 PolarHBondContact OD1-N 3.06Å; D367-A370 WeakPolarHBondContact O-CB 3.12Å; D367-A370 PolarHBondContact O-N 3.1Å; D367-T373 WeakPolarHBondContact OD2-CA 3.43Å; D367-T373 WeakPolarHBondContact OD2-CB 3.33Å; D367-E374 HydrophobicContact CB-CB 3.95Å; D367-E374 PolarHBondContact OD2-N 3.09Å; D367-L653 HydrophobicContact CB-CD1 3.51Å
368	Y	98.8	Very high	97.8	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.016	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	4.2	175.3	-157.9	-92.3	0	0	0	113.9	W303 G305 W306 F307 Y339 M340 Y366 A370	W303-Y368 VanDerWaalsContact CD1-OH 3.31Å; G305-Y368 VanDerWaalsContact C-CE1 3.44Å; G305-Y368 CarbonylContact C-O 3.43Å; G305-Y368 WeakPolarHBondContact CA-O 3.32Å; G305-Y368 WeakPolarHBondContact O-CE1 3.48Å; W306-Y368 PolarHBondContact N-O 2.76Å; W306-Y368 CarbonylContact O-C 3.51Å; W306-Y368 VanDerWaalsContact O-CA 3.27Å; W306-Y368 WeakPolarHBondContact O-CA 3.14Å; F307-Y368 HydrophobicContact CB-CD2 4.11Å; F307-Y368 HydrophobicContact CB-CE2 4.26Å; F307-Y368 HydrophobicContact CD1-CE2 4.28Å; Y339-Y368 HydrophobicContact CD1-CE1 4.17Å; Y339-Y368 HydrophobicContact CD1-CE2 4.33Å; Y339-Y368 AromaticContact CD1-CZ 3.77Å; Y339-Y368 HydrophobicContact CE1-CE2 4.05Å; Y339-Y368 AromaticContact CE1-CZ 3.95Å; Y339-Y368 VanDerWaalsContact O-CE1 3.25Å; Y339-Y368 WeakPolarHBondContact O-CE1 3.34Å; M340-Y368 HydrophobicContact CB-CD1 4.05Å; M340-Y368 HydrophobicContact CB-CG 4.22Å; M340-Y368 HydrophobicContact CG-CD1 4Å; M340-Y368 HydrophobicContact CG-CD2 4.14Å; M340-Y368 HydrophobicContact CG-CE1 4.35Å; M340-Y368 HydrophobicContact CG-CE2 4.47Å; M340-Y368 HydrophobicContact CG-CG 3.9Å; Y366-Y368 HydrophobicContact CE1-CD2 4.04Å; Y366-Y368 HydrophobicContact CE2-CD2 4.05Å; Y366-Y368 HydrophobicContact CE2-CE2 4.49Å; Y366-Y368 AromaticContact CZ-CD2 3.74Å; Y366-Y368 PolarHBondContact O-N 3Å; Y368-A370 PolarHBondContact O-N 3.39Å
369	D	98.6	Very high	98.3	Very high	29 Å²	29	11 Å²	11	16%	0.155	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	45.8	-158.9	-175.4	23.3	0	0	0	110.1	H315 V316 K317 D367 K381	H315-D369 WeakPolarHBondContact O-CB 3.44Å; V316-D369 WeakPolarHBondContact CA-OD2 3.48Å; K317-D369 PolarHBondContact N-OD2 3.34Å; D367-D369 PolarHBondContact O-N 3.1Å; D367-D369 VanDerWaalsContact O-N 3.13Å; D367-D369 VanDerWaalsContact OD1-CA 3.27Å; D367-D369 WeakPolarHBondContact OD1-CA 3.36Å; D367-D369 PolarHBondContact OD1-N 3.06Å; D369-K381 PolarHBondContact O-NZ 3.07Å; D369-K381 IonicContact OD1-NZ 3.92Å; D369-K381 PolarHBondContact OD1-NZ 3.25Å; D369-K381 IonicContact OD2-NZ 3.19Å; D369-K381 PolarHBondContact OD2-NZ 2.86Å
370	A	98.8	Very high	98.5	Very high	1 Å²	1	16 Å²	16	1%	0.008	8%	0.084	C	C	.	.			trans	-72.7	-177.9	-177	0	0	0	0	0	112.5	M340 D367 Y368 L372	M340-A370 HydrophobicContact CB-CB 3.96Å; M340-A370 VanDerWaalsContact O-CB 3.28Å; M340-A370 WeakPolarHBondContact O-CB 3.25Å; D367-A370 WeakPolarHBondContact O-CB 3.12Å; D367-A370 PolarHBondContact O-N 3.1Å; Y368-A370 PolarHBondContact O-N 3.39Å; A370-L372 VanDerWaalsContact C-N 3.29Å; A370-L372 WeakPolarHBondContact CB-O 3.46Å; A370-L372 PolarHBondContact O-N 3.09Å
371	V	98.9	Very high	98.6	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	-65.8	-35.1	174.8	-172.7	0	0	0	0	111.2	V304 V338 M340 F341 T379 Y382 L385	V304-V371 HydrophobicContact CG2-CG2 4.37Å; V338-V371 HydrophobicContact CG1-CG2 3.69Å; M340-V371 PolarHBondContact O-N 3.23Å; F341-V371 HydrophobicContact CD2-CB 3.77Å; F341-V371 HydrophobicContact CD2-CG1 3.94Å; F341-V371 HydrophobicContact CD2-CG2 3.94Å; F341-V371 HydrophobicContact CE2-CB 3.94Å; F341-V371 HydrophobicContact CE2-CG1 3.6Å; F341-V371 HydrophobicContact CE2-CG2 4.44Å; F341-V371 HydrophobicContact CG-CB 4.23Å; F341-V371 HydrophobicContact CZ-CG1 4.17Å; F341-V371 CarbonylContact O-C 3.58Å; F341-V371 WeakPolarHBondContact O-CB 3.35Å; F341-V371 PolarHBondContact O-N 2.94Å; V371-T379 WeakPolarHBondContact O-CG2 3.48Å; V371-T379 PolarHBondContact O-OG1 3.47Å; V371-Y382 HydrophobicContact CG1-CD2 4.04Å; V371-Y382 HydrophobicContact CG1-CG 4.42Å; V371-L385 HydrophobicContact CG1-CD1 4.15Å; V371-L385 HydrophobicContact CG2-CD1 3.81Å
372	L	98.8	Very high	98.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-113.6	143.7	166.9	-61.5	-178.7	0	0	0	110.2	K110 F341 H342 A370 D377 Y378 Y382	K110-L372 HydrophobicContact CB-CD1 3.83Å; K110-L372 HydrophobicContact CD-CD1 3.85Å; K110-L372 HydrophobicContact CD-CD2 4.31Å; K110-L372 HydrophobicContact CG-CD1 4.49Å; F341-L372 HydrophobicContact CD1-CD1 4.29Å; F341-L372 HydrophobicContact CD1-CG 4.39Å; F341-L372 HydrophobicContact CE1-CD1 3.64Å; F341-L372 HydrophobicContact CE1-CG 3.81Å; F341-L372 HydrophobicContact CZ-CD1 4.45Å; F341-L372 HydrophobicContact CZ-CG 4.3Å; F341-L372 PolarHBondContact O-N 3.14Å; H342-L372 HydrophobicContact CB-CB 4.14Å; H342-L372 HydrophobicContact CB-CD1 4.25Å; A370-L372 VanDerWaalsContact C-N 3.29Å; A370-L372 WeakPolarHBondContact CB-O 3.46Å; A370-L372 PolarHBondContact O-N 3.09Å; L372-D377 WeakPolarHBondContact CA-O 3.33Å; L372-D377 WeakPolarHBondContact CD2-O 3.14Å; L372-Y378 HydrophobicContact CD2-CD1 3.74Å; L372-Y378 HydrophobicContact CD2-CE1 4.17Å; L372-Y382 HydrophobicContact CD2-CD2 3.54Å; L372-Y382 HydrophobicContact CD2-CE2 3.99Å; L372-Y382 HydrophobicContact CD2-CG 4.34Å; L372-Y382 HydrophobicContact CG-CD2 4.45Å
373	T	98.8	Very high	98.7	Very high	30 Å²	30	19.8 Å²	19.8	18%	0.184	10%	0.097	C	C	.	.			trans	-62.2	171.1	175.8	69.9	0	0	0	0	112.2	H342 D367 A375 G376 D377 T379	H342-T373 PolarHBondContact CE1-O 3.45Å; H342-T373 PolarHBondContact ND1-O 3.31Å; D367-T373 WeakPolarHBondContact OD2-CA 3.43Å; D367-T373 WeakPolarHBondContact OD2-CB 3.33Å; T373-A375 PolarHBondContact O-N 2.84Å; T373-A375 PolarHBondContact OG1-N 2.81Å; T373-G376 WeakPolarHBondContact O-CA 3.45Å; T373-G376 PolarHBondContact O-N 2.71Å; T373-D377 HydrophobicContact CG2-CB 4.11Å; T373-D377 PolarHBondContact N-O 3.29Å; T373-D377 WeakPolarHBondContact OG1-CB 3.22Å; T373-D377 PolarHBondContact OG1-N 2.8Å; T373-T379 HydrophobicContact CG2-CG2 3.81Å
374	E	98.9	Very high	98.7	Very high	3 Å²	3	21.6 Å²	21.6	1%	0.014	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-41.1	171.9	171.2	170.6	-155	0	0	112.8	H342 T345 S365 D367 G376 Y620	H342-E374 PolarHBondContact CE1-O 3.17Å; H342-E374 VanDerWaalsContact CE1-O 3.28Å; T345-E374 WeakPolarHBondContact CB-OE1 3.45Å; T345-E374 VanDerWaalsContact CG2-OE1 3.27Å; T345-E374 WeakPolarHBondContact CG2-OE1 3.46Å; T345-E374 WeakPolarHBondContact OG1-CG 3.42Å; T345-E374 PolarHBondContact OG1-OE1 3.27Å; S365-E374 VanDerWaalsContact CB-OE2 3.28Å; S365-E374 WeakPolarHBondContact CB-OE2 3.35Å; S365-E374 PolarHBondContact OG-OE2 2.88Å; D367-E374 HydrophobicContact CB-CB 3.95Å; D367-E374 PolarHBondContact OD2-N 3.09Å; E374-G376 VanDerWaalsContact C-N 3.29Å; E374-G376 PolarHBondContact O-N 3.49Å; E374-Y620 HydrophobicContact CG-CD1 4.16Å; E374-Y620 HydrophobicContact CG-CG 4.23Å; E374-Y620 WeakPolarHBondContact OE1-CB 3.45Å
375	A	98.4	Very high	98.7	Very high	3 Å²	3	21.6 Å²	21.6	3%	0.025	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	5	178.9	0	0	0	0	0	113.7	R107 T373 F589 Y620	R107-A375 PolarHBondContact NH2-O 3.48Å; T373-A375 PolarHBondContact O-N 2.84Å; T373-A375 PolarHBondContact OG1-N 2.81Å; A375-F589 HydrophobicContact CB-CE1 4.27Å; A375-F589 HydrophobicContact CB-CZ 3.77Å; A375-Y620 HydrophobicContact CB-CD2 4Å; A375-Y620 HydrophobicContact CB-CE2 3.58Å
376	G	98.3	Very high	98.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.			trans	80.8	20.5	178.6	0	0	0	0	0	114.5	K110 T373 E374	K110-G376 PolarHBondContact NZ-O 2.98Å; T373-G376 WeakPolarHBondContact O-CA 3.45Å; T373-G376 PolarHBondContact O-N 2.71Å; E374-G376 VanDerWaalsContact C-N 3.29Å; E374-G376 PolarHBondContact O-N 3.49Å
377	D	98.5	Very high	98.6	Very high	35 Å²	35	29.9 Å²	29.9	19%	0.187	14%	0.141	C	C	.	.			trans	-79.6	156.8	177.5	-55.7	-47.4	0	0	0	111.5	L372 T373 L403 K406	L372-D377 WeakPolarHBondContact CA-O 3.33Å; L372-D377 WeakPolarHBondContact CD2-O 3.14Å; T373-D377 HydrophobicContact CG2-CB 4.11Å; T373-D377 PolarHBondContact N-O 3.29Å; T373-D377 WeakPolarHBondContact OG1-CB 3.22Å; T373-D377 PolarHBondContact OG1-N 2.8Å; D377-L403 HydrophobicContact CB-CD2 4.4Å; D377-K406 IonicContact OD1-NZ 2.68Å; D377-K406 PolarHBondContact OD1-NZ 3.45Å; D377-K406 WeakPolarHBondContact OD2-CE 3.36Å; D377-K406 IonicContact OD2-NZ 2.84Å; D377-K406 PolarHBondContact OD2-NZ 3.49Å
378	Y	98.6	Very high	98.5	Very high	35 Å²	35	30.1 Å²	30.1	14%	0.137	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-73.9	144	177.8	-57	-57.6	0	0	0	111.6	K110 L372 Y382 F383 V400 P401 L403	K110-Y378 HydrophobicContact CB-CE1 4.27Å; K110-Y378 HydrophobicContact CD-CE1 3.76Å; K110-Y378 VanDerWaalsContact CE-OH 3.27Å; K110-Y378 WeakPolarHBondContact CE-OH 3.36Å; K110-Y378 HydrophobicContact CG-CE1 3.74Å; K110-Y378 WeakPolarHBondContact CG-OH 3.41Å; L372-Y378 HydrophobicContact CD2-CD1 3.74Å; L372-Y378 HydrophobicContact CD2-CE1 4.17Å; Y378-Y382 AromaticContact CD1-CD1 3.57Å; Y378-Y382 HydrophobicContact CD1-CD1 3.57Å; Y378-Y382 AromaticContact CD1-CD2 3.71Å; Y378-Y382 HydrophobicContact CD1-CD2 3.71Å; Y378-Y382 AromaticContact CD1-CE1 3.61Å; Y378-Y382 HydrophobicContact CD1-CE1 3.61Å; Y378-Y382 AromaticContact CD1-CE2 3.7Å; Y378-Y382 HydrophobicContact CD1-CE2 3.7Å; Y378-Y382 AromaticContact CD1-CG 3.64Å; Y378-Y382 HydrophobicContact CD1-CG 3.64Å; Y378-Y382 AromaticContact CD1-CZ 3.67Å; Y378-Y382 HydrophobicContact CE1-CD1 4.21Å; Y378-Y382 HydrophobicContact CE1-CD2 4.17Å; Y378-Y382 AromaticContact CE1-CE1 3.77Å; Y378-Y382 HydrophobicContact CE1-CE1 3.77Å; Y378-Y382 AromaticContact CE1-CE2 3.68Å; Y378-Y382 HydrophobicContact CE1-CE2 3.68Å; Y378-Y382 HydrophobicContact CE1-CG 4.42Å; Y378-Y382 AromaticContact CE1-CZ 3.47Å; Y378-Y382 VanDerWaalsContact CE1-CZ 3.47Å; Y378-Y382 HydrophobicContact CG-CD1 4.19Å; Y378-Y382 HydrophobicContact CG-CE1 4.41Å; Y378-Y382 HydrophobicContact CG-CG 4.43Å; Y378-F383 HydrophobicContact CD2-CZ 4.06Å; Y378-F383 HydrophobicContact CG-CE2 4.41Å; Y378-F383 AromaticContact CG-CZ 3.96Å; Y378-F383 HydrophobicContact CG-CZ 3.96Å; Y378-V400 HydrophobicContact CD2-CG1 4.45Å; Y378-V400 HydrophobicContact CE1-CG1 3.83Å; Y378-V400 HydrophobicContact CE2-CG1 3.55Å; Y378-V400 WeakPolarHBondContact OH-CG1 3.39Å; Y378-P401 WeakPolarHBondContact OH-CD 3.4Å; Y378-P401 PolarHBondContact OH-O 3.13Å; Y378-L403 HydrophobicContact CD2-CD1 3.82Å; Y378-L403 HydrophobicContact CD2-CD2 3.64Å; Y378-L403 HydrophobicContact CD2-CG 3.67Å; Y378-L403 HydrophobicContact CE2-CD1 4.31Å; Y378-L403 HydrophobicContact CE2-CD2 3.57Å; Y378-L403 HydrophobicContact CE2-CG 3.65Å; Y378-L403 HydrophobicContact CG-CD2 4.34Å
379	T	98.6	Very high	98.4	Very high	26 Å²	26	30.1 Å²	30.1	16%	0.16	14%	0.142	C	C	.	.			trans	-116.7	172.9	177.2	68.2	0	0	0	0	110.8	V371 T373 K381 Y382 F383	V371-T379 WeakPolarHBondContact O-CG2 3.48Å; V371-T379 PolarHBondContact O-OG1 3.47Å; T373-T379 HydrophobicContact CG2-CG2 3.81Å; T379-K381 PolarHBondContact O-N 2.72Å; T379-K381 WeakPolarHBondContact OG1-CB 3.48Å; T379-K381 PolarHBondContact OG1-N 2.74Å; T379-Y382 WeakPolarHBondContact O-CB 3.12Å; T379-Y382 PolarHBondContact O-N 2.84Å; T379-Y382 PolarHBondContact OG1-N 3.38Å; T379-Y382 VanDerWaalsContact OG1-N 3.15Å; T379-F383 VanDerWaalsContact O-CD2 3.31Å; T379-F383 WeakPolarHBondContact O-CD2 3.46Å; T379-F383 PolarHBondContact O-N 2.79Å
380	E	98.5	Very high	98.2	Very high	117 Å²	117	33.8 Å²	33.8	55%	0.547	16%	0.158	S	C	.	.	H	α-helix	trans	-57.7	-38	168.7	-170.2	-175	163.5	0	0	111.7	A319 Y382 F383 K384	A319-E380 HydrophobicContact CB-CB 4.22Å; A319-E380 HydrophobicContact CB-CG 4.04Å; E380-Y382 VanDerWaalsContact C-N 3.31Å; E380-Y382 PolarHBondContact O-N 3.2Å; E380-F383 PolarHBondContact O-N 3.14Å; E380-K384 HydrophobicContact CG-CD 4.09Å; E380-K384 HydrophobicContact CG-CG 4.48Å; E380-K384 WeakPolarHBondContact O-CG 3.34Å; E380-K384 PolarHBondContact O-N 3.31Å; E380-K384 WeakPolarHBondContact OE1-CE 3.41Å
381	K	98.8	Very high	98	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-59.9	-42.4	176.6	-65.9	174.3	-171.3	172.9	0	111.3	V304 K317 A319 V322 D369 T379 F383 K384 L385	V304-K381 PolarHBondContact O-NZ 2.89Å; K317-K381 WeakPolarHBondContact O-CE 3.38Å; K317-K381 PolarHBondContact O-NZ 2.83Å; K317-K381 VanDerWaalsContact O-NZ 3.08Å; A319-K381 HydrophobicContact CB-CG 3.63Å; V322-K381 HydrophobicContact CG2-CD 4.39Å; D369-K381 PolarHBondContact O-NZ 3.07Å; D369-K381 IonicContact OD1-NZ 3.92Å; D369-K381 PolarHBondContact OD1-NZ 3.25Å; D369-K381 IonicContact OD2-NZ 3.19Å; D369-K381 PolarHBondContact OD2-NZ 2.86Å; T379-K381 PolarHBondContact O-N 2.72Å; T379-K381 WeakPolarHBondContact OG1-CB 3.48Å; T379-K381 PolarHBondContact OG1-N 2.74Å; K381-F383 PolarHBondContact O-N 2.62Å; K381-K384 PolarHBondContact O-N 2.96Å; K381-L385 WeakPolarHBondContact O-CB 3.27Å; K381-L385 VanDerWaalsContact O-CG 3.27Å; K381-L385 WeakPolarHBondContact O-CG 3.1Å; K381-L385 PolarHBondContact O-N 2.76Å
382	Y	98.8	Very high	97.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-56.1	-53.8	177.8	-177.4	-84.5	0	0	0	111.6	K110 C114 F341 V371 L372 Y378 T379 E380 K384 L385 Q386 V400	K110-Y382 HydrophobicContact CB-CE2 4.31Å; K110-Y382 WeakPolarHBondContact O-CE2 3.44Å; K110-Y382 PolarHBondContact O-OH 3.22Å; C114-Y382 HydrophobicContact CB-CD2 4.19Å; C114-Y382 HydrophobicContact CB-CE2 3.57Å; C114-Y382 PolarHBondContact N-OH 3.44Å; F341-Y382 HydrophobicContact CZ-CD2 4.12Å; F341-Y382 HydrophobicContact CZ-CE2 4.04Å; V371-Y382 HydrophobicContact CG1-CD2 4.04Å; V371-Y382 HydrophobicContact CG1-CG 4.42Å; L372-Y382 HydrophobicContact CD2-CD2 3.54Å; L372-Y382 HydrophobicContact CD2-CE2 3.99Å; L372-Y382 HydrophobicContact CD2-CG 4.34Å; L372-Y382 HydrophobicContact CG-CD2 4.45Å; Y378-Y382 AromaticContact CD1-CD1 3.57Å; Y378-Y382 HydrophobicContact CD1-CD1 3.57Å; Y378-Y382 AromaticContact CD1-CD2 3.71Å; Y378-Y382 HydrophobicContact CD1-CD2 3.71Å; Y378-Y382 AromaticContact CD1-CE1 3.61Å; Y378-Y382 HydrophobicContact CD1-CE1 3.61Å; Y378-Y382 AromaticContact CD1-CE2 3.7Å; Y378-Y382 HydrophobicContact CD1-CE2 3.7Å; Y378-Y382 AromaticContact CD1-CG 3.64Å; Y378-Y382 HydrophobicContact CD1-CG 3.64Å; Y378-Y382 AromaticContact CD1-CZ 3.67Å; Y378-Y382 HydrophobicContact CE1-CD1 4.21Å; Y378-Y382 HydrophobicContact CE1-CD2 4.17Å; Y378-Y382 AromaticContact CE1-CE1 3.77Å; Y378-Y382 HydrophobicContact CE1-CE1 3.77Å; Y378-Y382 AromaticContact CE1-CE2 3.68Å; Y378-Y382 HydrophobicContact CE1-CE2 3.68Å; Y378-Y382 HydrophobicContact CE1-CG 4.42Å; Y378-Y382 AromaticContact CE1-CZ 3.47Å; Y378-Y382 VanDerWaalsContact CE1-CZ 3.47Å; Y378-Y382 HydrophobicContact CG-CD1 4.19Å; Y378-Y382 HydrophobicContact CG-CE1 4.41Å; Y378-Y382 HydrophobicContact CG-CG 4.43Å; T379-Y382 WeakPolarHBondContact O-CB 3.12Å; T379-Y382 PolarHBondContact O-N 2.84Å; T379-Y382 PolarHBondContact OG1-N 3.38Å; T379-Y382 VanDerWaalsContact OG1-N 3.15Å; E380-Y382 VanDerWaalsContact C-N 3.31Å; E380-Y382 PolarHBondContact O-N 3.2Å; Y382-K384 PolarHBondContact O-N 3.22Å; Y382-L385 PolarHBondContact O-N 3.1Å; Y382-Q386 HydrophobicContact CE1-CB 4.42Å; Y382-Q386 VanDerWaalsContact O-CB 3.26Å; Y382-Q386 WeakPolarHBondContact O-CB 3.39Å; Y382-Q386 PolarHBondContact O-N 3Å; Y382-V400 HydrophobicContact CE1-CG1 4.4Å; Y382-V400 HydrophobicContact CE1-CG2 4.48Å
383	F	98.6	Very high	97.3	Very high	102 Å²	102	37.8 Å²	37.8	45%	0.447	19%	0.186	S	C	.	.	H	α-helix	trans	-69.6	-33.6	-175.3	-66.7	-63.4	0	0	0	112.7	Y378 T379 E380 K381 K387	Y378-F383 HydrophobicContact CD2-CZ 4.06Å; Y378-F383 HydrophobicContact CG-CE2 4.41Å; Y378-F383 AromaticContact CG-CZ 3.96Å; Y378-F383 HydrophobicContact CG-CZ 3.96Å; T379-F383 VanDerWaalsContact O-CD2 3.31Å; T379-F383 WeakPolarHBondContact O-CD2 3.46Å; T379-F383 PolarHBondContact O-N 2.79Å; E380-F383 PolarHBondContact O-N 3.14Å; K381-F383 PolarHBondContact O-N 2.62Å; F383-K387 WeakPolarHBondContact O-CB 3.4Å; F383-K387 PolarHBondContact O-N 2.83Å
384	K	98.6	Very high	96.8	Very high	40 Å²	40	38.6 Å²	38.6	17%	0.174	20%	0.196	C	C	.	.	H	α-helix	trans	-64.4	-49.2	173.5	-76.7	178.6	165.6	-64.9	0	112.2	A319 E323 E380 K381 Y382 Q386 K387 L388	A319-K384 HydrophobicContact CB-CD 3.78Å; E323-K384 HydrophobicContact CB-CB 4.34Å; E323-K384 HydrophobicContact CB-CD 4.43Å; E323-K384 HydrophobicContact CG-CB 4.41Å; E323-K384 WeakPolarHBondContact OE2-CD 3.26Å; E323-K384 IonicContact OE2-NZ 3.39Å; E323-K384 PolarHBondContact OE2-NZ 3.28Å; E380-K384 HydrophobicContact CG-CD 4.09Å; E380-K384 HydrophobicContact CG-CG 4.48Å; E380-K384 WeakPolarHBondContact O-CG 3.34Å; E380-K384 PolarHBondContact O-N 3.31Å; E380-K384 WeakPolarHBondContact OE1-CE 3.41Å; K381-K384 PolarHBondContact O-N 2.96Å; Y382-K384 PolarHBondContact O-N 3.22Å; K384-Q386 VanDerWaalsContact C-N 3.34Å; K384-K387 PolarHBondContact O-N 2.65Å; K384-L388 WeakPolarHBondContact O-CB 3.26Å; K384-L388 PolarHBondContact O-N 2.78Å
385	L	98.6	Very high	96.2	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-65.2	-40	178	-68	-179.8	0	0	0	111.5	F116 V322 V326 V371 K381 Y382 L388 L389	F116-L385 HydrophobicContact CZ-CD1 4.37Å; V322-L385 HydrophobicContact CG1-CD1 4.16Å; V322-L385 HydrophobicContact CG1-CD2 4.18Å; V322-L385 HydrophobicContact CG1-CG 4.42Å; V326-L385 HydrophobicContact CB-CD2 3.82Å; V326-L385 HydrophobicContact CG1-CD2 3.99Å; V326-L385 HydrophobicContact CG2-CD2 3.72Å; V371-L385 HydrophobicContact CG1-CD1 4.15Å; V371-L385 HydrophobicContact CG2-CD1 3.81Å; K381-L385 WeakPolarHBondContact O-CB 3.27Å; K381-L385 VanDerWaalsContact O-CG 3.27Å; K381-L385 WeakPolarHBondContact O-CG 3.1Å; K381-L385 PolarHBondContact O-N 2.76Å; Y382-L385 PolarHBondContact O-N 3.1Å; L385-L388 PolarHBondContact O-N 3.06Å; L385-L389 WeakPolarHBondContact O-CB 3.4Å; L385-L389 WeakPolarHBondContact O-CG 3.43Å; L385-L389 PolarHBondContact O-N 3.44Å
386	Q	98.3	Very high	95.8	Very high	28 Å²	28	46.6 Å²	46.6	13%	0.131	25%	0.247	C	C	.	.	H	α-helix	trans	-59	-51.2	175.6	-177.8	178.5	43.4	0	0	111.7	A113 C114 Y382 K384 L388 L389 E390 L397	A113-Q386 PolarHBondContact O-NE2 2.88Å; C114-Q386 WeakPolarHBondContact O-CA 3.31Å; Y382-Q386 HydrophobicContact CE1-CB 4.42Å; Y382-Q386 VanDerWaalsContact O-CB 3.26Å; Y382-Q386 WeakPolarHBondContact O-CB 3.39Å; Y382-Q386 PolarHBondContact O-N 3Å; K384-Q386 VanDerWaalsContact C-N 3.34Å; Q386-L388 VanDerWaalsContact C-N 3.3Å; Q386-L388 PolarHBondContact O-N 3.09Å; Q386-L389 PolarHBondContact O-N 2.63Å; Q386-E390 VanDerWaalsContact O-CB 3.28Å; Q386-E390 WeakPolarHBondContact O-CB 3.35Å; Q386-E390 PolarHBondContact O-N 3.38Å; Q386-L397 HydrophobicContact CG-CD1 3.98Å
387	K	97.8	Very high	95.6	Very high	153 Å²	153	48.1 Å²	48.1	67%	0.665	26%	0.255	S	S	*	.	H	α-helix	trans	-60.5	-40.4	178.8	-175.9	178.1	-179.9	179.1	0	112	F383 K384 S391	F383-K387 WeakPolarHBondContact O-CB 3.4Å; F383-K387 PolarHBondContact O-N 2.83Å; K384-K387 PolarHBondContact O-N 2.65Å; K387-S391 PolarHBondContact O-N 3.05Å; K387-S391 VanDerWaalsContact O-N 3.12Å
388	L	97.1	Very high	95.4	Very high	19 Å²	19	49.3 Å²	49.3	10%	0.099	27%	0.265	C	S	.	.	H	α-helix	trans	-63.9	-48.7	177.1	176.8	62.8	0	0	0	111.2	V326 I330 K384 L385 Q386 E390 S391	V326-L388 HydrophobicContact CB-CD2 4.08Å; V326-L388 HydrophobicContact CG1-CD2 3.85Å; I330-L388 HydrophobicContact CD1-CD2 4.11Å; I330-L388 HydrophobicContact CD1-CG 4Å; K384-L388 WeakPolarHBondContact O-CB 3.26Å; K384-L388 PolarHBondContact O-N 2.78Å; L385-L388 PolarHBondContact O-N 3.06Å; Q386-L388 VanDerWaalsContact C-N 3.3Å; Q386-L388 PolarHBondContact O-N 3.09Å; L388-E390 VanDerWaalsContact C-N 3.35Å; L388-S391 PolarHBondContact O-N 3.49Å; L388-S391 PolarHBondContact O-OG 2.8Å
389	L	96.3	Very high	95.1	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-68.3	-34.2	-179.9	-71.2	170	0	0	0	112.1	C114 F116 I330 L385 Q386 S391 V392 S393	C114-L389 VanDerWaalsContact O-CD1 3.3Å; C114-L389 WeakPolarHBondContact O-CD1 3.3Å; F116-L389 HydrophobicContact CD2-CD1 3.9Å; F116-L389 HydrophobicContact CE2-CD1 3.75Å; F116-L389 HydrophobicContact CZ-CD1 4.27Å; I330-L389 HydrophobicContact CD1-CD2 3.84Å; L385-L389 WeakPolarHBondContact O-CB 3.4Å; L385-L389 WeakPolarHBondContact O-CG 3.43Å; L385-L389 PolarHBondContact O-N 3.44Å; Q386-L389 PolarHBondContact O-N 2.63Å; L389-S391 VanDerWaalsContact C-N 3.35Å; L389-V392 WeakPolarHBondContact O-CG2 3.45Å; L389-V392 PolarHBondContact O-N 2.89Å; L389-S393 WeakPolarHBondContact O-CB 3.14Å; L389-S393 PolarHBondContact O-N 2.95Å; L389-S393 VanDerWaalsContact O-N 3.09Å
390	E	95.2	Very high	95	Very high	106 Å²	106	56.7 Å²	56.7	50%	0.495	30%	0.302	S	S	.	.	H	α-helix	trans	-60.7	-42.9	172	-173.6	173.4	-149	0	0	111.5	Q386 L388 V392 S393 L397	Q386-E390 VanDerWaalsContact O-CB 3.28Å; Q386-E390 WeakPolarHBondContact O-CB 3.35Å; Q386-E390 PolarHBondContact O-N 3.38Å; L388-E390 VanDerWaalsContact C-N 3.35Å; E390-V392 PolarHBondContact O-N 3.42Å; E390-S393 PolarHBondContact O-N 2.74Å; E390-S393 VanDerWaalsContact O-N 3.14Å; E390-L397 HydrophobicContact CB-CD1 3.77Å; E390-L397 HydrophobicContact CB-CG 4.12Å; E390-L397 HydrophobicContact CG-CD1 4.45Å; E390-L397 HydrophobicContact CG-CG 4.35Å
391	S	94.1	Very high	94.9	Very high	63 Å²	63	52.4 Å²	52.4	44%	0.441	28%	0.284	S	S	.	.	H	α-helix	trans	-63.8	-22.8	-178.9	73.8	0	0	0	0	114.7	K387 L388 L389	K387-S391 PolarHBondContact O-N 3.05Å; K387-S391 VanDerWaalsContact O-N 3.12Å; L388-S391 PolarHBondContact O-N 3.49Å; L388-S391 PolarHBondContact O-OG 2.8Å; L389-S391 VanDerWaalsContact C-N 3.35Å
392	V	92	Very high	94.7	Very high	3 Å²	3	61 Å²	61	2%	0.018	32%	0.321	C	S	.	.	H	α-helix	trans	-106.8	-0.3	178.9	-57.9	0	0	0	0	112.9	R50 F51 I330 L389 E390	R50-V392 CarbonylContact C-O 3.39Å; R50-V392 WeakPolarHBondContact CA-O 3.48Å; F51-V392 HydrophobicContact CD2-CB 4.44Å; F51-V392 PolarHBondContact N-O 2.75Å; I330-V392 HydrophobicContact CD1-CG2 4.32Å; I330-V392 HydrophobicContact CG2-CB 4.32Å; I330-V392 HydrophobicContact CG2-CG1 3.94Å; I330-V392 HydrophobicContact CG2-CG2 4.14Å; L389-V392 WeakPolarHBondContact O-CG2 3.45Å; L389-V392 PolarHBondContact O-N 2.89Å; E390-V392 PolarHBondContact O-N 3.42Å
393	S	90.5	Very high	94.4	Very high	19 Å²	19	64.9 Å²	64.9	13%	0.133	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-82.4	137.1	175.2	-173.5	0	0	0	0	110.7	L389 E390 T395	L389-S393 WeakPolarHBondContact O-CB 3.14Å; L389-S393 PolarHBondContact O-N 2.95Å; L389-S393 VanDerWaalsContact O-N 3.09Å; E390-S393 PolarHBondContact O-N 2.74Å; E390-S393 VanDerWaalsContact O-N 3.14Å; S393-T395 VanDerWaalsContact C-N 3.31Å; S393-T395 WeakPolarHBondContact CB-O 3.26Å; S393-T395 PolarHBondContact OG-N 3.06Å; S393-T395 PolarHBondContact OG-O 3.26Å
394	A	89.1	Confident	94	Very high	48 Å²	48	64 Å²	64	40%	0.397	35%	0.345	S	S	.	.	S	Bend	trans	-78.5	-17.5	173.2	0	0	0	0	0	113	R50 F51 N52	R50-A394 HydrophobicContact CB-CB 4.47Å; F51-A394 WeakPolarHBondContact O-CB 3.32Å; F51-A394 PolarHBondContact O-N 2.78Å; N52-A394 HydrophobicContact CB-CB 3.59Å
395	T	86.1	Confident	93.8	Very high	54 Å²	54	65.7 Å²	65.7	33%	0.331	36%	0.36	S	S	.	.	S	Bend	trans	-123.5	150.5	178.9	55.8	0	0	0	0	110.5	S393 L397	S393-T395 VanDerWaalsContact C-N 3.31Å; S393-T395 WeakPolarHBondContact CB-O 3.26Å; S393-T395 PolarHBondContact OG-N 3.06Å; S393-T395 PolarHBondContact OG-O 3.26Å; T395-L397 PolarHBondContact O-N 3.01Å
396	P	89.8	Confident	93.8	Very high	120 Å²	120	67.2 Å²	67.2	78%	0.779	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-54.2	141.7	173.9	-24.9	34.5	0	0	0	111.9
397	L	93.5	Very high	93.8	Very high	32 Å²	32	66.8 Å²	66.8	17%	0.168	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-70.7	151.7	174.1	-63.8	-172.7	0	0	0	110.5	Q386 E390 T395	Q386-L397 HydrophobicContact CG-CD1 3.98Å; E390-L397 HydrophobicContact CB-CD1 3.77Å; E390-L397 HydrophobicContact CB-CG 4.12Å; E390-L397 HydrophobicContact CG-CD1 4.45Å; E390-L397 HydrophobicContact CG-CG 4.35Å; T395-L397 PolarHBondContact O-N 3.01Å
398	P	93.9	Very high	93.8	Very high	59 Å²	59	63.9 Å²	63.9	38%	0.383	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-58.3	155.2	173.6	-24.6	35.6	0	0	0	112.5	R112 V400	R112-P398 HydrophobicContact CG-CG 4.28Å; P398-V400 PolarHBondContact O-N 3.35Å
399	Q	94.1	Very high	93.9	Very high	174 Å²	174	63.8 Å²	63.8	81%	0.813	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-61.7	136.5	176.6	-172.3	177.9	9.5	0	0	111.4	P401	Q399-P401 WeakPolarHBondContact O-CD 3.46Å
400	V	95.4	Very high	93.9	Very high	43 Å²	43	67.5 Å²	67.5	26%	0.261	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-67.4	126.2	175.7	-179.3	0	0	0	0	110.3	A113 Y378 Y382 P398	A113-V400 HydrophobicContact CB-CG2 4.46Å; Y378-V400 HydrophobicContact CD2-CG1 4.45Å; Y378-V400 HydrophobicContact CE1-CG1 3.83Å; Y378-V400 HydrophobicContact CE2-CG1 3.55Å; Y378-V400 WeakPolarHBondContact OH-CG1 3.39Å; Y382-V400 HydrophobicContact CE1-CG1 4.4Å; Y382-V400 HydrophobicContact CE1-CG2 4.48Å; P398-V400 PolarHBondContact O-N 3.35Å
401	P	96.2	Very high	94	Very high	27 Å²	27	66.5 Å²	66.5	18%	0.175	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-57.6	146.3	175	-26.2	35	0	0	0	112.8	L109 K110 Y378 Q399	L109-P401 HydrophobicContact CB-CG 3.79Å; K110-P401 HydrophobicContact CG-CB 4.41Å; K110-P401 HydrophobicContact CG-CG 4.02Å; Y378-P401 WeakPolarHBondContact OH-CD 3.4Å; Y378-P401 PolarHBondContact OH-O 3.13Å; Q399-P401 WeakPolarHBondContact O-CD 3.46Å
402	K	94.6	Very high	94	Very high	185 Å²	185	64 Å²	64	80%	0.804	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-69.5	139.2	175.3	-66.9	-176.8	-179.6	179.5	0	110.3
403	L	93.1	Very high	94.2	Very high	82 Å²	82	73 Å²	73	43%	0.429	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-68.6	142.5	172.6	-70.5	178.6	0	0	0	110.7	D377 Y378	D377-L403 HydrophobicContact CB-CD2 4.4Å; Y378-L403 HydrophobicContact CD2-CD1 3.82Å; Y378-L403 HydrophobicContact CD2-CD2 3.64Å; Y378-L403 HydrophobicContact CD2-CG 3.67Å; Y378-L403 HydrophobicContact CE2-CD1 4.31Å; Y378-L403 HydrophobicContact CE2-CD2 3.57Å; Y378-L403 HydrophobicContact CE2-CG 3.65Å; Y378-L403 HydrophobicContact CG-CD2 4.34Å
404	T	90.1	Very high	94.5	Very high	84 Å²	84	72.8 Å²	72.8	52%	0.515	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-86.6	125.7	170.4	-58	0	0	0	0	108.2
405	P	94.8	Very high	94.8	Very high	76 Å²	76	74.2 Å²	74.2	49%	0.494	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-65	148.2	178.3	27.1	-33.9	0	0	0	110.4	K586	P405-K586 HydrophobicContact CG-CD 4.14Å; P405-K586 WeakPolarHBondContact O-CD 3.5Å
406	K	98	Very high	95.3	Very high	33 Å²	33	74.2 Å²	74.2	14%	0.143	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-94.1	155.9	174.3	-67.7	170.8	168.2	53.2	0	110.2	D377 D587 F589 D649	D377-K406 IonicContact OD1-NZ 2.68Å; D377-K406 PolarHBondContact OD1-NZ 3.45Å; D377-K406 WeakPolarHBondContact OD2-CE 3.36Å; D377-K406 IonicContact OD2-NZ 2.84Å; D377-K406 PolarHBondContact OD2-NZ 3.49Å; K406-D587 CarbonylContact C-O 3.57Å; K406-D587 WeakPolarHBondContact CA-O 3.36Å; K406-D587 WeakPolarHBondContact CB-O 3.3Å; K406-D587 HydrophobicContact CG-CB 3.98Å; K406-F589 HydrophobicContact CD-CD2 4.37Å; K406-F589 HydrophobicContact CD-CE2 3.48Å; K406-F589 VanDerWaalsContact CD-CE2 3.48Å; K406-F589 HydrophobicContact CD-CZ 4.1Å; K406-D649 HydrophobicContact CB-CB 3.96Å; K406-D649 WeakPolarHBondContact CD-O 3.46Å
407	A	97.8	Very high	95.7	Very high	18 Å²	18	70.2 Å²	70.2	15%	0.149	38%	0.376	C	S	.	.			trans	-110.1	150.6	-178.7	0	0	0	0	0	112	Y409 K586 D587 T588	A407-Y409 HydrophobicContact CB-CD1 4.33Å; A407-Y409 HydrophobicContact CB-CE1 3.73Å; A407-Y409 HydrophobicContact CB-CE2 4.11Å; A407-K586 HydrophobicContact CB-CB 3.9Å; A407-K586 HydrophobicContact CB-CD 4.41Å; A407-D587 PolarHBondContact N-O 2.93Å; A407-T588 WeakPolarHBondContact O-CB 3.46Å; A407-T588 PolarHBondContact O-OG1 2.88Å
408	V	98.3	Very high	95.9	Very high	92 Å²	92	68.8 Å²	68.8	56%	0.558	37%	0.368	S	S	*	.			trans	-108.5	110.7	161.6	179.6	0	0	0	0	106.8	D649	V408-D649 HydrophobicContact CG2-CB 3.92Å
409	Y	98.1	Very high	96	Very high	18 Å²	18	66.2 Å²	66.2	7%	0.071	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-87.8	157.3	173.4	-56.5	-61.1	0	0	0	111.8	A407 L579 A581 P585 K586 T588 L626 S647	A407-Y409 HydrophobicContact CB-CD1 4.33Å; A407-Y409 HydrophobicContact CB-CE1 3.73Å; A407-Y409 HydrophobicContact CB-CE2 4.11Å; Y409-L579 HydrophobicContact CD2-CD1 4.35Å; Y409-L579 HydrophobicContact CD2-CD2 4.42Å; Y409-L579 HydrophobicContact CG-CD1 4.42Å; Y409-A581 HydrophobicContact CD1-CB 4.46Å; Y409-A581 VanDerWaalsContact CE1-CA 3.49Å; Y409-A581 HydrophobicContact CE1-CB 3.97Å; Y409-A581 VanDerWaalsContact CE1-O 3.24Å; Y409-A581 WeakPolarHBondContact CE1-O 3.35Å; Y409-P585 WeakPolarHBondContact OH-CA 3.24Å; Y409-K586 PolarHBondContact OH-N 3.14Å; Y409-K586 PolarHBondContact OH-O 2.67Å; Y409-T588 HydrophobicContact CD2-CG2 3.83Å; Y409-T588 HydrophobicContact CE2-CG2 3.61Å; Y409-L626 HydrophobicContact CE2-CD1 3.98Å; Y409-S647 WeakPolarHBondContact CA-OG 2.93Å; Y409-S647 WeakPolarHBondContact CB-OG 3.39Å; Y409-S647 PolarHBondContact N-OG 2.91Å; Y409-S647 PolarHBondContact O-OG 3.22Å
410	P	97.3	Very high	96.2	Very high	82 Å²	82	58 Å²	58	53%	0.532	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-52.9	142.5	172.5	-25.9	35.2	0	0	0	112.2	M412	P410-M412 PolarHBondContact O-N 3.2Å
411	P	96.6	Very high	96.2	Very high	85 Å²	85	56.7 Å²	56.7	55%	0.552	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-54.6	135.1	175.2	-25.6	34.3	0	0	0	111.8	K646	P411-K646 HydrophobicContact CB-CG 4.39Å
412	M	95.4	Very high	96.2	Very high	9 Å²	9	57.9 Å²	57.9	4%	0.044	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-100.6	122.9	178.1	-173.4	-78.3	-63.5	0	0	109.2	P410 P414 T578 V633 D644 I645	P410-M412 PolarHBondContact O-N 3.2Å; M412-P414 HydrophobicContact CE-CG 4.36Å; M412-P414 HydrophobicContact SD-CG 4.21Å; M412-T578 WeakPolarHBondContact CG-O 3.41Å; M412-V633 HydrophobicContact CE-CB 3.63Å; M412-V633 HydrophobicContact CE-CG1 3.59Å; M412-V633 HydrophobicContact CE-CG2 4.02Å; M412-D644 WeakPolarHBondContact O-CA 3.39Å; M412-I645 HydrophobicContact CE-CB 4.03Å; M412-I645 HydrophobicContact CE-CD1 3.45Å; M412-I645 VanDerWaalsContact CE-CD1 3.45Å; M412-I645 HydrophobicContact CE-CG1 3.82Å; M412-I645 PolarHBondContact N-O 3.4Å; M412-I645 PolarHBondContact O-N 3.45Å
413	R	95.8	Very high	96.3	Very high	193 Å²	193	49.1 Å²	49.1	73%	0.728	27%	0.27	S	S	*	.			trans	-104.2	122.2	171	-70.7	178.9	-178.2	160.2	0.6	108.5	S415 D644	R413-S415 PolarHBondContact O-N 3.42Å; R413-D644 HydrophobicContact CG-CB 3.84Å
414	P	96.3	Very high	96.4	Very high	15 Å²	15	46 Å²	46	10%	0.097	25%	0.254	C	S	.	.			trans	-58.1	136.6	170.4	-21.5	33	0	0	0	109.8	M412 V565 Y575 R576 W595	M412-P414 HydrophobicContact CE-CG 4.36Å; M412-P414 HydrophobicContact SD-CG 4.21Å; P414-V565 HydrophobicContact CB-CG2 4.21Å; P414-V565 WeakPolarHBondContact O-CG2 3.41Å; P414-Y575 HydrophobicContact CB-CD1 4.48Å; P414-R576 WeakPolarHBondContact CA-O 3.16Å; P414-W595 HydrophobicContact CG-CH2 4.25Å; P414-W595 HydrophobicContact CG-CZ2 3.91Å
415	S	95.9	Very high	96.6	Very high	78 Å²	78	46.5 Å²	46.5	55%	0.545	26%	0.261	S	S	.	.			trans	-107.2	-19.5	177.4	55.5	0	0	0	0	112.1	R413 V565 R576	R413-S415 PolarHBondContact O-N 3.42Å; S415-V565 PolarHBondContact O-N 2.71Å; S415-R576 PolarHBondContact N-O 2.71Å
416	L	97.3	Very high	96.7	Very high	54 Å²	54	46 Å²	46	28%	0.283	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140.6	-177	-67.3	177.8	0	0	0	110.2	W562 K563 Y575 R576	L416-W562 HydrophobicContact CB-CB 4.02Å; L416-W562 HydrophobicContact CB-CD2 4.37Å; L416-W562 HydrophobicContact CB-CE3 3.92Å; L416-W562 HydrophobicContact CB-CG 4.43Å; L416-W562 HydrophobicContact CD1-CB 4.11Å; L416-W562 HydrophobicContact CD1-CG 4.44Å; L416-W562 HydrophobicContact CD2-CB 4.07Å; L416-W562 HydrophobicContact CG-CB 4.29Å; L416-K563 CarbonylContact C-O 3.55Å; L416-K563 VanDerWaalsContact CA-O 3.31Å; L416-K563 WeakPolarHBondContact CA-O 3.25Å; L416-Y575 CarbonylContact O-C 3.37Å; L416-Y575 WeakPolarHBondContact O-CA 3.41Å; L416-R576 HydrophobicContact CB-CB 4.11Å; L416-R576 PolarHBondContact N-O 3.41Å; L416-R576 PolarHBondContact O-N 3.15Å
417	Y	96.4	Very high	96.4	Very high	36 Å²	36	45.4 Å²	45.4	14%	0.141	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	155.2	171.9	95.2	-68.9	0	0	0	111.8	P419 K563 P564 P566 F574	Y417-P419 HydrophobicContact CD2-CG 4.16Å; Y417-P419 HydrophobicContact CE2-CG 3.52Å; Y417-K563 HydrophobicContact CD1-CB 3.69Å; Y417-K563 WeakPolarHBondContact CD1-O 3.49Å; Y417-K563 HydrophobicContact CE1-CB 3.31Å; Y417-K563 HydrophobicContact CE1-CD 4.09Å; Y417-K563 HydrophobicContact CE1-CG 4.33Å; Y417-K563 PolarHBondContact N-O 3.2Å; Y417-K563 PolarHBondContact O-N 2.95Å; Y417-P564 WeakPolarHBondContact CD1-O 3.37Å; Y417-P564 WeakPolarHBondContact CE1-O 3.19Å; Y417-P566 HydrophobicContact CE1-CG 4.37Å; Y417-P566 HydrophobicContact CE2-CG 4.29Å; Y417-F574 CarbonylContact C-O 3.5Å; Y417-F574 WeakPolarHBondContact CA-O 3.43Å
418	L	97.6	Very high	96.2	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	107.6	177.1	177.6	67	0	0	0	108.4	D422 A423 L557 A560 W562 A573 F574	L418-D422 HydrophobicContact CD1-CB 3.71Å; L418-A423 HydrophobicContact CD2-CB 3.82Å; L418-A423 HydrophobicContact CG-CB 4.09Å; L418-L557 HydrophobicContact CD2-CD2 4.38Å; L418-L557 HydrophobicContact CD2-CG 4.25Å; L418-A560 HydrophobicContact CD1-CB 4.32Å; L418-A560 HydrophobicContact CD2-CB 3.65Å; L418-W562 HydrophobicContact CB-CD2 4.03Å; L418-W562 HydrophobicContact CB-CE3 3.66Å; L418-W562 HydrophobicContact CB-CH2 4.11Å; L418-W562 HydrophobicContact CB-CZ2 4.43Å; L418-W562 HydrophobicContact CB-CZ3 3.71Å; L418-W562 HydrophobicContact CD2-CH2 4.48Å; L418-W562 HydrophobicContact CD2-CZ2 4.17Å; L418-A573 WeakPolarHBondContact O-CA 3.27Å; L418-F574 HydrophobicContact CB-CB 4.4Å; L418-F574 PolarHBondContact N-O 3.44Å; L418-F574 PolarHBondContact O-N 3.35Å
419	P	97.3	Very high	96	Very high	6 Å²	6	53.7 Å²	53.7	4%	0.039	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	144.4	170.8	-24.4	33.3	0	0	0	111.2	Y417 W421 D422 A423	Y417-P419 HydrophobicContact CD2-CG 4.16Å; Y417-P419 HydrophobicContact CE2-CG 3.52Å; P419-W421 PolarHBondContact O-N 3.07Å; P419-W421 VanDerWaalsContact O-N 3.14Å; P419-D422 HydrophobicContact CB-CB 4.5Å; P419-D422 WeakPolarHBondContact CD-OD2 3.46Å; P419-D422 PolarHBondContact O-N 3.37Å; P419-A423 PolarHBondContact O-N 3.05Å; P419-A423 VanDerWaalsContact O-N 3.12Å
420	L	97.6	Very high	96	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-54.5	-35.9	175.7	176.2	61.4	0	0	0	111.7	A423 L424 L508 L547 P572 F574	L420-A423 WeakPolarHBondContact O-CB 3.14Å; L420-A423 PolarHBondContact O-N 3.42Å; L420-A423 VanDerWaalsContact O-N 3.17Å; L420-L424 HydrophobicContact CD1-CD2 4.47Å; L420-L424 WeakPolarHBondContact O-CG 3.32Å; L420-L424 PolarHBondContact O-N 2.92Å; L420-L508 HydrophobicContact CD2-CD1 3.99Å; L420-L508 HydrophobicContact CD2-CD2 3.73Å; L420-L508 HydrophobicContact CD2-CG 4.46Å; L420-L547 HydrophobicContact CD1-CD1 4.17Å; L420-L547 HydrophobicContact CD1-CD2 3.83Å; L420-L547 HydrophobicContact CD2-CD1 4.42Å; L420-P572 HydrophobicContact CB-CB 4Å; L420-P572 HydrophobicContact CB-CG 4.01Å; L420-P572 VanDerWaalsContact CB-O 3.27Å; L420-P572 WeakPolarHBondContact CB-O 3.39Å; L420-P572 HydrophobicContact CD2-CB 3.91Å; L420-P572 HydrophobicContact CD2-CG 3.84Å; L420-P572 PolarHBondContact N-O 3.49Å; L420-F574 HydrophobicContact CD1-CE2 4.01Å; L420-F574 HydrophobicContact CD1-CZ 4.46Å
421	W	96.1	Very high	96	Very high	17 Å²	17	52 Å²	52	6%	0.064	27%	0.271	C	S	.	.	H	α-helix	trans	-63.7	-43.1	-178.1	-39.9	128.8	0	0	0	112.3	P419 A423 L424 L456 F478 E481 P572	P419-W421 PolarHBondContact O-N 3.07Å; P419-W421 VanDerWaalsContact O-N 3.14Å; W421-A423 VanDerWaalsContact C-N 3.3Å; W421-A423 PolarHBondContact O-N 3.11Å; W421-L424 WeakPolarHBondContact O-CB 3.49Å; W421-L424 WeakPolarHBondContact O-CG 3.3Å; W421-L424 PolarHBondContact O-N 2.79Å; W421-L456 HydrophobicContact CZ3-CD1 4.27Å; W421-L456 HydrophobicContact CZ3-CD2 4.15Å; W421-F478 HydrophobicContact CH2-CD1 4.17Å; W421-F478 AromaticContact CH2-CD2 3.75Å; W421-F478 HydrophobicContact CH2-CD2 3.75Å; W421-F478 HydrophobicContact CH2-CE1 4.27Å; W421-F478 AromaticContact CH2-CE2 3.85Å; W421-F478 HydrophobicContact CH2-CE2 3.85Å; W421-F478 AromaticContact CH2-CG 3.93Å; W421-F478 HydrophobicContact CH2-CG 3.93Å; W421-F478 HydrophobicContact CH2-CZ 4.13Å; W421-F478 AromaticContact CZ2-CD1 3.72Å; W421-F478 HydrophobicContact CZ2-CD1 3.72Å; W421-F478 HydrophobicContact CZ2-CD2 4.17Å; W421-F478 AromaticContact CZ2-CE1 3.82Å; W421-F478 HydrophobicContact CZ2-CE1 3.82Å; W421-F478 HydrophobicContact CZ2-CE2 4.24Å; W421-F478 AromaticContact CZ2-CG 3.93Å; W421-F478 HydrophobicContact CZ2-CG 3.93Å; W421-F478 HydrophobicContact CZ2-CZ 4.08Å; W421-E481 HydrophobicContact CB-CG 4.46Å; W421-E481 HydrophobicContact CD2-CG 4.48Å; W421-E481 HydrophobicContact CG-CG 3.87Å; W421-P572 HydrophobicContact CH2-CG 3.86Å; W421-P572 HydrophobicContact CZ2-CG 3.62Å
422	D	96.4	Very high	96.1	Very high	52 Å²	52	57.7 Å²	57.7	28%	0.278	28%	0.282	S	S	.	.	H	α-helix	trans	-68.7	-32.9	174.8	-69.5	-19.3	0	0	0	111.3	L418 P419 L424 S425 K563	L418-D422 HydrophobicContact CD1-CB 3.71Å; P419-D422 HydrophobicContact CB-CB 4.5Å; P419-D422 WeakPolarHBondContact CD-OD2 3.46Å; P419-D422 PolarHBondContact O-N 3.37Å; D422-L424 VanDerWaalsContact C-N 3.26Å; D422-L424 PolarHBondContact O-N 3.39Å; D422-S425 PolarHBondContact O-OG 2.95Å; D422-S425 VanDerWaalsContact O-OG 3.08Å; D422-K563 IonicContact OD2-NZ 2.7Å; D422-K563 PolarHBondContact OD2-NZ 3.33Å
423	A	96.6	Very high	96.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-67	-24.3	179.5	0	0	0	0	0	113.2	L418 P419 L420 W421 S425 Y426 L427 F574	L418-A423 HydrophobicContact CD2-CB 3.82Å; L418-A423 HydrophobicContact CG-CB 4.09Å; P419-A423 PolarHBondContact O-N 3.05Å; P419-A423 VanDerWaalsContact O-N 3.12Å; L420-A423 WeakPolarHBondContact O-CB 3.14Å; L420-A423 PolarHBondContact O-N 3.42Å; L420-A423 VanDerWaalsContact O-N 3.17Å; W421-A423 VanDerWaalsContact C-N 3.3Å; W421-A423 PolarHBondContact O-N 3.11Å; A423-S425 PolarHBondContact O-N 2.6Å; A423-S425 VanDerWaalsContact O-N 3.15Å; A423-Y426 PolarHBondContact O-N 3.43Å; A423-L427 WeakPolarHBondContact O-CG 3.41Å; A423-F574 HydrophobicContact CB-CD2 4.4Å; A423-F574 HydrophobicContact CB-CE2 4.14Å
424	L	95.5	Very high	96.2	Very high	16 Å²	16	55 Å²	55	8%	0.084	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-55.7	-35.2	-175.7	-61.9	-175.2	0	0	0	113	L420 W421 D422 Y426 L427 L456 Y545	L420-L424 HydrophobicContact CD1-CD2 4.47Å; L420-L424 WeakPolarHBondContact O-CG 3.32Å; L420-L424 PolarHBondContact O-N 2.92Å; W421-L424 WeakPolarHBondContact O-CB 3.49Å; W421-L424 WeakPolarHBondContact O-CG 3.3Å; W421-L424 PolarHBondContact O-N 2.79Å; D422-L424 VanDerWaalsContact C-N 3.26Å; D422-L424 PolarHBondContact O-N 3.39Å; L424-Y426 PolarHBondContact O-N 2.86Å; L424-L427 HydrophobicContact CD2-CD1 3.81Å; L424-L427 PolarHBondContact O-N 3.01Å; L424-L456 HydrophobicContact CD1-CD2 3.85Å; L424-L456 HydrophobicContact CD2-CD2 3.76Å; L424-L456 HydrophobicContact CG-CD2 4.46Å; L424-Y545 HydrophobicContact CB-CD1 4.43Å; L424-Y545 HydrophobicContact CB-CE1 4.07Å; L424-Y545 HydrophobicContact CD1-CE2 4.33Å; L424-Y545 HydrophobicContact CD2-CD1 4.08Å; L424-Y545 HydrophobicContact CD2-CD2 4.48Å; L424-Y545 HydrophobicContact CD2-CE1 4.45Å; L424-Y545 HydrophobicContact CD2-CG 4.1Å
425	S	94.6	Very high	96.1	Very high	96 Å²	96	57.4 Å²	57.4	67%	0.671	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-68.2	-17.4	179.1	62.9	0	0	0	0	114.5	D422 A423	D422-S425 PolarHBondContact O-OG 2.95Å; D422-S425 VanDerWaalsContact O-OG 3.08Å; A423-S425 PolarHBondContact O-N 2.6Å; A423-S425 VanDerWaalsContact O-N 3.15Å
426	Y	95.3	Very high	96.1	Very high	64 Å²	64	54.6 Å²	54.6	25%	0.251	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-102.6	0.2	179.5	-57.2	-87.6	0	0	0	112.7	A423 L424 R556 A560 T561	A423-Y426 PolarHBondContact O-N 3.43Å; L424-Y426 PolarHBondContact O-N 2.86Å; Y426-R556 WeakPolarHBondContact O-CB 3.35Å; Y426-R556 WeakPolarHBondContact O-CD 3.32Å; Y426-R556 PolarHBondContact O-NE 3.27Å; Y426-A560 HydrophobicContact CD1-CB 4.08Å; Y426-A560 HydrophobicContact CD2-CB 3.69Å; Y426-A560 VanDerWaalsContact CE1-CA 3.48Å; Y426-A560 HydrophobicContact CE1-CB 4.07Å; Y426-A560 HydrophobicContact CE2-CB 3.68Å; Y426-A560 HydrophobicContact CG-CB 3.9Å; Y426-T561 PolarHBondContact OH-N 3.34Å; Y426-T561 PolarHBondContact OH-OG1 3.31Å
427	L	93.1	Very high	96.1	Very high	21 Å²	21	53.4 Å²	53.4	11%	0.11	27%	0.266	C	S	.	.	S	Bend	trans	-78.8	171	177.6	-56.1	-171.9	0	0	0	111	A423 L424 Y545 L547 F553 L557	A423-L427 WeakPolarHBondContact O-CG 3.41Å; L424-L427 HydrophobicContact CD2-CD1 3.81Å; L424-L427 PolarHBondContact O-N 3.01Å; L427-Y545 HydrophobicContact CD1-CD1 4.19Å; L427-L547 HydrophobicContact CD1-CD2 3.52Å; L427-L547 HydrophobicContact CD2-CD2 4.49Å; L427-F553 HydrophobicContact CD2-CD2 3.97Å; L427-F553 HydrophobicContact CD2-CE2 3.29Å; L427-F553 HydrophobicContact CD2-CZ 3.87Å; L427-L557 HydrophobicContact CD2-CD1 4.01Å
428	N	93.3	Very high	96.2	Very high	101 Å²	101	52.4 Å²	52.4	54%	0.54	26%	0.263	S	S	.	.	S	Bend	trans	-61.6	159.6	167.1	-68.3	-22.9	0	0	0	109.6	R556	N428-R556 PolarHBondContact OD1-NH1 3.01Å
429	E	94.4	Very high	96.2	Very high	183 Å²	183	52.3 Å²	52.3	86%	0.855	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-52	130.8	176.8	-67.6	-153.3	146.9	0	0	111.2
430	P	97.3	Very high	96.3	Very high	38 Å²	38	52 Å²	52	25%	0.247	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-71.9	150.3	179.9	29.2	-34.3	0	0	0	111.1	R432 T543 I544 Y545	P430-R432 PolarHBondContact O-N 3.17Å; P430-T543 HydrophobicContact CB-CG2 3.49Å; P430-T543 VanDerWaalsContact CB-CG2 3.49Å; P430-T543 HydrophobicContact CG-CG2 3.6Å; P430-I544 CarbonylContact C-O 3.44Å; P430-I544 WeakPolarHBondContact CA-O 3.04Å; P430-I544 WeakPolarHBondContact CB-O 3.34Å; P430-Y545 HydrophobicContact CB-CD1 3.78Å; P430-Y545 HydrophobicContact CB-CD2 4.38Å; P430-Y545 HydrophobicContact CB-CE1 3.67Å; P430-Y545 HydrophobicContact CB-CE2 4.27Å; P430-Y545 HydrophobicContact CB-CG 4.13Å; P430-Y545 HydrophobicContact CG-CD1 4.39Å; P430-Y545 HydrophobicContact CG-CE1 3.82Å
431	V	98.2	Very high	96.3	Very high	27 Å²	27	55 Å²	55	16%	0.164	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	122.3	173.5	177.1	0	0	0	0	108.4	L442 P443 I444 I544	V431-L442 HydrophobicContact CB-CD2 4.44Å; V431-L442 HydrophobicContact CG2-CD2 4.43Å; V431-P443 HydrophobicContact CG1-CG 3.72Å; V431-P443 HydrophobicContact CG2-CG 3.97Å; V431-I444 HydrophobicContact CG2-CG2 4.07Å; V431-I544 HydrophobicContact CB-CB 4.33Å; V431-I544 PolarHBondContact N-O 3.36Å; V431-I544 PolarHBondContact O-N 2.8Å
432	R	98.2	Very high	96.4	Very high	204 Å²	204	54.4 Å²	54.4	77%	0.77	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	129	170.6	-63.8	-175.5	-178.8	113.6	-0.3	109.3	P430 F542	P430-R432 PolarHBondContact O-N 3.17Å; R432-F542 WeakPolarHBondContact CA-O 3.39Å
433	S	97.3	Very high	96.4	Very high	33 Å²	33	56.3 Å²	56.3	23%	0.231	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	144.5	-178.4	-178.7	0	0	0	0	111.7	Q435 V437 G541 F542	S433-Q435 VanDerWaalsContact C-N 3.32Å; S433-Q435 WeakPolarHBondContact CB-O 3.3Å; S433-Q435 PolarHBondContact OG-N 3.46Å; S433-Q435 PolarHBondContact OG-O 2.96Å; S433-V437 WeakPolarHBondContact OG-CG2 3.48Å; S433-G541 CarbonylContact O-C 3.59Å; S433-G541 WeakPolarHBondContact O-CA 3.11Å; S433-F542 PolarHBondContact N-O 2.97Å; S433-F542 PolarHBondContact O-N 2.92Å
434	H	96.1	Very high	96.4	Very high	112 Å²	112	58.1 Å²	58.1	52%	0.519	30%	0.299	S	S	.	.	S	Bend	trans	-64	-39.1	174.6	-172.8	-104.3	0	0	0	111.9	E540 G541	H434-E540 IonicContact CE1-OE1 2.69Å; H434-E540 PolarHBondContact CE1-OE1 3.19Å; H434-E540 IonicContact CE1-OE2 3.47Å; H434-E540 PolarHBondContact CE1-OE2 2.81Å; H434-E540 IonicContact ND1-OE1 2.71Å; H434-E540 VanDerWaalsContact NE2-CD 3.33Å; H434-E540 IonicContact NE2-OE1 3.14Å; H434-E540 IonicContact NE2-OE2 2.81Å; H434-E540 PolarHBondContact NE2-OE2 2.92Å; H434-E540 VanDerWaalsContact NE2-OE2 3.09Å; H434-E540 CarbonylContact O-C 3.45Å; H434-E540 WeakPolarHBondContact O-CA 3.36Å; H434-E540 WeakPolarHBondContact O-CB 3.43Å; H434-G541 PolarHBondContact O-N 2.64Å
435	Q	94.9	Very high	96.4	Very high	67 Å²	67	58.9 Å²	58.9	31%	0.313	30%	0.303	S	S	.	.	S	Bend	trans	-116.1	154.3	178	-67.3	-69	-31.6	0	0	110.1	S433 V437 E540	S433-Q435 VanDerWaalsContact C-N 3.32Å; S433-Q435 WeakPolarHBondContact CB-O 3.3Å; S433-Q435 PolarHBondContact OG-N 3.46Å; S433-Q435 PolarHBondContact OG-O 2.96Å; Q435-V437 PolarHBondContact O-N 3.42Å; Q435-E540 PolarHBondContact NE2-OE1 2.69Å
436	P	95.5	Very high	96.5	Very high	18 Å²	18	60.7 Å²	60.7	12%	0.117	31%	0.305	C	S	.	.			trans	-53.7	137.5	168	-18.8	28.6	0	0	0	110.7	Y457 I528 V532 F542	P436-Y457 HydrophobicContact CB-CD1 4.27Å; P436-Y457 HydrophobicContact CB-CE1 4.18Å; P436-I528 HydrophobicContact CB-CB 4.08Å; P436-I528 HydrophobicContact CB-CG2 3.74Å; P436-I528 HydrophobicContact CG-CG2 4.23Å; P436-V532 HydrophobicContact CG-CB 4.33Å; P436-V532 HydrophobicContact CG-CG2 3.7Å; P436-F542 HydrophobicContact CG-CD2 3.91Å; P436-F542 HydrophobicContact CG-CE2 3.64Å; P436-F542 HydrophobicContact CG-CZ 4.14Å
437	V	97.3	Very high	96.5	Very high	30 Å²	30	59.7 Å²	59.7	18%	0.182	31%	0.314	C	S	.	.			trans	-117.5	126.9	176.8	-176.4	0	0	0	0	108.4	S433 Q435 N441 L442 Y457 I544	S433-V437 WeakPolarHBondContact OG-CG2 3.48Å; Q435-V437 PolarHBondContact O-N 3.42Å; V437-N441 VanDerWaalsContact CG1-C 3.45Å; V437-N441 HydrophobicContact CG1-CB 3.75Å; V437-N441 WeakPolarHBondContact CG1-O 3.43Å; V437-L442 HydrophobicContact CB-CD2 4.09Å; V437-L442 HydrophobicContact CG1-CD2 4.16Å; V437-Y457 VanDerWaalsContact O-CE1 3.22Å; V437-Y457 WeakPolarHBondContact O-CE1 3.43Å; V437-Y457 PolarHBondContact O-OH 2.6Å; V437-I544 HydrophobicContact CB-CD1 4.12Å; V437-I544 HydrophobicContact CG2-CD1 4.31Å
438	N	97.9	Very high	96.7	Very high	14 Å²	14	58.8 Å²	58.8	8%	0.075	31%	0.31	C	S	.	.			trans	-64.2	162	176.1	70.1	34.9	0	0	0	111.5	E440 N441 L442 Q525 K526 I528 T529	N438-E440 VanDerWaalsContact C-N 3.3Å; N438-E440 PolarHBondContact O-N 2.95Å; N438-E440 PolarHBondContact OD1-N 2.97Å; N438-N441 PolarHBondContact ND2-ND2 3.21Å; N438-N441 PolarHBondContact O-N 2.94Å; N438-N441 VanDerWaalsContact O-N 3.17Å; N438-N441 VanDerWaalsContact OD1-CB 3.31Å; N438-N441 WeakPolarHBondContact OD1-CB 3.38Å; N438-N441 PolarHBondContact OD1-N 3.37Å; N438-N441 PolarHBondContact OD1-ND2 3.43Å; N438-L442 PolarHBondContact O-N 2.79Å; N438-Q525 PolarHBondContact ND2-NE2 3.36Å; N438-Q525 PolarHBondContact ND2-OE1 3.13Å; N438-K526 WeakPolarHBondContact CB-O 3.49Å; N438-I528 PolarHBondContact N-O 2.93Å; N438-T529 HydrophobicContact CB-CG2 4.41Å
439	M	98.4	Very high	97	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-55.4	-44.7	-173.5	-71.4	174.7	66.9	0	0	111.8	N441 L442 Q450 V455 N511 K526	M439-N441 VanDerWaalsContact C-N 3.31Å; M439-N441 PolarHBondContact O-N 3.22Å; M439-L442 PolarHBondContact O-N 2.78Å; M439-Q450 CarbonylContact C-O 3.56Å; M439-Q450 HydrophobicContact CB-CB 4.1Å; M439-Q450 HydrophobicContact CE-CB 4.48Å; M439-Q450 HydrophobicContact CE-CG 3.71Å; M439-Q450 WeakPolarHBondContact O-CB 3.34Å; M439-Q450 PolarHBondContact O-N 2.59Å; M439-V455 HydrophobicContact CG-CB 4.04Å; M439-V455 HydrophobicContact CG-CG1 3.53Å; M439-V455 HydrophobicContact SD-CG1 3.89Å; M439-N511 HydrophobicContact CE-CB 3.86Å; M439-N511 HydrophobicContact SD-CB 3.97Å; M439-K526 HydrophobicContact CB-CB 4.34Å; M439-K526 WeakPolarHBondContact CB-O 3.41Å; M439-K526 HydrophobicContact CG-CB 4.26Å; M439-K526 WeakPolarHBondContact CG-O 3.45Å; M439-K526 PolarHBondContact N-O 2.92Å; M439-K526 HydrophobicContact SD-CB 3.45Å; M439-K526 WeakPolarHBondContact SD-CB 3.34Å
440	E	98.4	Very high	97.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-68.4	-28	-176.4	-61.6	79.8	-170.6	0	0	113.3	S176 L179 Q180 N438 G449 R514 Q525 K526	S176-E440 WeakPolarHBondContact O-CG 3.4Å; L179-E440 HydrophobicContact CB-CG 4.23Å; Q180-E440 HydrophobicContact CG-CB 4.18Å; Q180-E440 VanDerWaalsContact CG-O 3.23Å; Q180-E440 WeakPolarHBondContact CG-O 3.36Å; Q180-E440 PolarHBondContact NE2-O 3.13Å; N438-E440 VanDerWaalsContact C-N 3.3Å; N438-E440 PolarHBondContact O-N 2.95Å; N438-E440 PolarHBondContact OD1-N 2.97Å; E440-G449 VanDerWaalsContact O-CA 3.32Å; E440-G449 WeakPolarHBondContact O-CA 3.48Å; E440-R514 IonicContact OE1-CZ 4Å; E440-R514 IonicContact OE1-NE 3.86Å; E440-R514 PolarHBondContact OE1-NE 2.96Å; E440-R514 IonicContact OE1-NH2 2.78Å; E440-R514 PolarHBondContact OE1-NH2 3.46Å; E440-Q525 WeakPolarHBondContact OE2-CA 3.44Å; E440-K526 PolarHBondContact OE1-N 3.2Å; E440-K526 VanDerWaalsContact OE1-N 3.07Å; E440-K526 PolarHBondContact OE2-N 3.24Å
441	N	98	Very high	97.1	Very high	63 Å²	63	43.9 Å²	43.9	34%	0.337	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-97.1	4	-179.5	-71.9	-64	0	0	0	114	Q180 V437 N438 M439	Q180-N441 PolarHBondContact O-ND2 2.88Å; Q180-N441 PolarHBondContact O-OD1 3.13Å; V437-N441 VanDerWaalsContact CG1-C 3.45Å; V437-N441 HydrophobicContact CG1-CB 3.75Å; V437-N441 WeakPolarHBondContact CG1-O 3.43Å; N438-N441 PolarHBondContact ND2-ND2 3.21Å; N438-N441 PolarHBondContact O-N 2.94Å; N438-N441 VanDerWaalsContact O-N 3.17Å; N438-N441 VanDerWaalsContact OD1-CB 3.31Å; N438-N441 WeakPolarHBondContact OD1-CB 3.38Å; N438-N441 PolarHBondContact OD1-N 3.37Å; N438-N441 PolarHBondContact OD1-ND2 3.43Å; M439-N441 VanDerWaalsContact C-N 3.31Å; M439-N441 PolarHBondContact O-N 3.22Å
442	L	98.1	Very high	97.1	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.016	23%	0.234	C	C	.	.	S	Bend	trans	-59.3	136.5	172.8	-72.2	174	0	0	0	110.4	V431 V437 N438 M439 I444 G449 Q450 V455 I544	V431-L442 HydrophobicContact CB-CD2 4.44Å; V431-L442 HydrophobicContact CG2-CD2 4.43Å; V437-L442 HydrophobicContact CB-CD2 4.09Å; V437-L442 HydrophobicContact CG1-CD2 4.16Å; N438-L442 PolarHBondContact O-N 2.79Å; M439-L442 PolarHBondContact O-N 2.78Å; L442-I444 HydrophobicContact CB-CD1 4.42Å; L442-I444 HydrophobicContact CB-CG1 4.03Å; L442-I444 PolarHBondContact O-N 3.06Å; L442-G449 VanDerWaalsContact O-CA 3.26Å; L442-G449 WeakPolarHBondContact O-CA 3.41Å; L442-Q450 HydrophobicContact CD1-CB 4.01Å; L442-V455 HydrophobicContact CD1-CG2 4.26Å; L442-I544 HydrophobicContact CD2-CB 4.45Å; L442-I544 HydrophobicContact CD2-CD1 4.3Å; L442-I544 HydrophobicContact CD2-CG2 3.92Å
443	P	97.3	Very high	97.1	Very high	92 Å²	92	34.8 Å²	34.8	60%	0.597	20%	0.198	S	C	*	.	S	Bend	trans	-77.8	52.7	179.8	34	-37.7	0	0	0	111.8	V431	V431-P443 HydrophobicContact CG1-CG 3.72Å; V431-P443 HydrophobicContact CG2-CG 3.97Å
444	I	96.2	Very high	97.2	Very high	38 Å²	38	33.2 Å²	33.2	20%	0.195	19%	0.187	C	C	.	.			trans	-122.7	174.3	178.6	69.3	170.9	0	0	0	110.1	V431 L442 N446 G447 S448 G449 Q450 S546	V431-I444 HydrophobicContact CG2-CG2 4.07Å; L442-I444 HydrophobicContact CB-CD1 4.42Å; L442-I444 HydrophobicContact CB-CG1 4.03Å; L442-I444 PolarHBondContact O-N 3.06Å; I444-N446 VanDerWaalsContact C-N 3.28Å; I444-N446 PolarHBondContact O-N 3.39Å; I444-G447 PolarHBondContact O-N 2.99Å; I444-S448 PolarHBondContact O-N 3.21Å; I444-G449 PolarHBondContact O-N 3.44Å; I444-Q450 HydrophobicContact CD1-CB 3.87Å; I444-S546 WeakPolarHBondContact CD1-OG 3.48Å
445	N	95.8	Very high	97.3	Very high	33 Å²	33	27.9 Å²	27.9	18%	0.176	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	50.1	49.4	176.3	-61.7	-36	0	0	0	112.5	E131 G447 S448 G449 E548 K550	E131-N445 HydrophobicContact CG-CB 3.98Å; N445-G447 PolarHBondContact O-N 3.11Å; N445-S448 VanDerWaalsContact O-CB 3.3Å; N445-S448 WeakPolarHBondContact O-CB 3.46Å; N445-S448 PolarHBondContact O-N 2.9Å; N445-S448 PolarHBondContact O-OG 2.87Å; N445-G449 WeakPolarHBondContact CB-O 3.32Å; N445-G449 PolarHBondContact ND2-O 3.15Å; N445-E548 PolarHBondContact ND2-OE1 3.05Å; N445-E548 PolarHBondContact OD1-OE2 3.22Å; N445-K550 PolarHBondContact OD1-NZ 2.67Å
446	N	94.9	Very high	97.5	Very high	134 Å²	134	24.7 Å²	24.7	72%	0.717	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	54.7	37.8	-178.2	-158.4	48.3	0	0	0	113.8	I444 S448	I444-N446 VanDerWaalsContact C-N 3.28Å; I444-N446 PolarHBondContact O-N 3.39Å; N446-S448 VanDerWaalsContact C-N 3.33Å; N446-S448 PolarHBondContact O-N 3.11Å
447	G	96.5	Very high	97.6	Very high	42 Å²	42	23.9 Å²	23.9	43%	0.433	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	78.3	11.5	-179.2	0	0	0	0	0	114.4	Q180 I444 N445 G449	Q180-G447 PolarHBondContact NE2-O 3.2Å; I444-G447 PolarHBondContact O-N 2.99Å; N445-G447 PolarHBondContact O-N 3.11Å; G447-G449 VanDerWaalsContact C-N 3.34Å
448	S	97.6	Very high	97.7	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.021	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-7.1	173.8	-53.9	0	0	0	0	113.1	E131 R132 I444 N445 N446	E131-S448 WeakPolarHBondContact CA-OG 3.44Å; R132-S448 PolarHBondContact N-OG 3.15Å; I444-S448 PolarHBondContact O-N 3.21Å; N445-S448 VanDerWaalsContact O-CB 3.3Å; N445-S448 WeakPolarHBondContact O-CB 3.46Å; N445-S448 PolarHBondContact O-N 2.9Å; N445-S448 PolarHBondContact O-OG 2.87Å; N446-S448 VanDerWaalsContact C-N 3.33Å; N446-S448 PolarHBondContact O-N 3.11Å
449	G	98.1	Very high	97.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.145	C	C	.	.			trans	71.4	-170.7	-176	0	0	0	0	0	113.8	E440 L442 I444 N445 G447	E440-G449 VanDerWaalsContact O-CA 3.32Å; E440-G449 WeakPolarHBondContact O-CA 3.48Å; L442-G449 VanDerWaalsContact O-CA 3.26Å; L442-G449 WeakPolarHBondContact O-CA 3.41Å; I444-G449 PolarHBondContact O-N 3.44Å; N445-G449 WeakPolarHBondContact CB-O 3.32Å; N445-G449 PolarHBondContact ND2-O 3.15Å; G447-G449 VanDerWaalsContact C-N 3.34Å
450	Q	98.2	Very high	97.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.16	C	C	.	.			trans	-92.6	119.2	176.6	-179.1	171.1	-3.9	0	0	110.6	M439 L442 I444 Y452 F454 S546 E548	M439-Q450 CarbonylContact C-O 3.56Å; M439-Q450 HydrophobicContact CB-CB 4.1Å; M439-Q450 HydrophobicContact CE-CB 4.48Å; M439-Q450 HydrophobicContact CE-CG 3.71Å; M439-Q450 WeakPolarHBondContact O-CB 3.34Å; M439-Q450 PolarHBondContact O-N 2.59Å; L442-Q450 HydrophobicContact CD1-CB 4.01Å; I444-Q450 HydrophobicContact CD1-CB 3.87Å; Q450-Y452 WeakPolarHBondContact CG-O 3.31Å; Q450-Y452 PolarHBondContact NE2-O 2.75Å; Q450-F454 PolarHBondContact NE2-O 3.39Å; Q450-S546 PolarHBondContact NE2-OG 2.92Å; Q450-S546 PolarHBondContact OE1-OG 3.21Å; Q450-E548 HydrophobicContact CG-CG 4.08Å
451	S	97.4	Very high	97.6	Very high	9 Å²	9	28 Å²	28	6%	0.063	16%	0.163	C	C	.	.			trans	-81.1	-40.4	-179.6	-46.3	0	0	0	0	112.9	S176 N511 R514	S176-S451 WeakPolarHBondContact OG-CA 3.44Å; S176-S451 VanDerWaalsContact OG-CB 3.28Å; S176-S451 WeakPolarHBondContact OG-CB 3.31Å; S176-S451 PolarHBondContact OG-OG 3.32Å; S451-N511 PolarHBondContact O-ND2 3.48Å; S451-R514 VanDerWaalsContact O-CZ 3.32Å; S451-R514 PolarHBondContact O-NH1 2.89Å; S451-R514 PolarHBondContact O-NH2 3.09Å
452	Y	97.9	Very high	97.5	Very high	40 Å²	40	28.6 Å²	28.6	16%	0.157	17%	0.171	C	C	.	.	S	Bend	trans	-141.5	171.6	-166.9	-52.7	-62.6	0	0	0	112.8	D170 F349 Q450	D170-Y452 HydrophobicContact CB-CE1 3.95Å; F349-Y452 HydrophobicContact CB-CD1 4.01Å; F349-Y452 HydrophobicContact CB-CG 3.89Å; Q450-Y452 WeakPolarHBondContact CG-O 3.31Å; Q450-Y452 PolarHBondContact NE2-O 2.75Å
453	G	97.5	Very high	97.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	88.1	-140.2	173.4	0	0	0	0	0	113	N511	G453-N511 PolarHBondContact O-N 2.98Å; G453-N511 VanDerWaalsContact O-N 3.16Å
454	F	98.6	Very high	97.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	155.9	-175	-56.1	-105.1	0	0	0	111.2	F349 Q450 L508 V509 E510 L547 M549 F599 F636 K638	F349-F454 HydrophobicContact CE1-CE2 4.34Å; F349-F454 HydrophobicContact CZ-CE2 4.46Å; Q450-F454 PolarHBondContact NE2-O 3.39Å; F454-L508 HydrophobicContact CB-CD1 4.03Å; F454-L508 HydrophobicContact CD1-CD1 4.46Å; F454-V509 CarbonylContact C-O 3.48Å; F454-V509 VanDerWaalsContact CA-O 3.24Å; F454-V509 WeakPolarHBondContact CA-O 3.24Å; F454-V509 WeakPolarHBondContact CB-O 3.47Å; F454-E510 HydrophobicContact CD1-CB 3.59Å; F454-E510 HydrophobicContact CD1-CG 3.85Å; F454-E510 HydrophobicContact CE1-CB 3.5Å; F454-E510 VanDerWaalsContact CE1-CB 3.5Å; F454-E510 HydrophobicContact CE1-CG 3.41Å; F454-E510 VanDerWaalsContact CE1-CG 3.41Å; F454-E510 HydrophobicContact CZ-CB 4.45Å; F454-E510 HydrophobicContact CZ-CG 3.89Å; F454-L547 HydrophobicContact CB-CB 3.9Å; F454-L547 HydrophobicContact CB-CD1 3.74Å; F454-L547 HydrophobicContact CB-CG 4.45Å; F454-L547 PolarHBondContact N-O 2.89Å; F454-L547 VanDerWaalsContact N-O 3.11Å; F454-L547 WeakPolarHBondContact O-CA 3.48Å; F454-L547 VanDerWaalsContact O-CB 3.31Å; F454-L547 WeakPolarHBondContact O-CB 3.25Å; F454-L547 PolarHBondContact O-N 2.89Å; F454-M549 HydrophobicContact CD2-CE 3.5Å; F454-M549 VanDerWaalsContact CD2-CE 3.5Å; F454-M549 HydrophobicContact CD2-SD 4.06Å; F454-M549 HydrophobicContact CE2-CE 3.71Å; F454-M549 HydrophobicContact CE2-SD 4Å; F454-M549 HydrophobicContact CG-CE 4.46Å; F454-F599 AromaticContact CE2-CD2 3.94Å; F454-F599 HydrophobicContact CE2-CD2 3.94Å; F454-F599 AromaticContact CE2-CE2 3.75Å; F454-F599 HydrophobicContact CE2-CE2 3.75Å; F454-F599 AromaticContact CZ-CD2 3.9Å; F454-F599 HydrophobicContact CZ-CD2 3.9Å; F454-F599 AromaticContact CZ-CE2 3.49Å; F454-F599 HydrophobicContact CZ-CE2 3.49Å; F454-F599 VanDerWaalsContact CZ-CE2 3.49Å; F454-F599 HydrophobicContact CZ-CZ 4.45Å; F454-F636 HydrophobicContact CD2-CE1 4.28Å; F454-F636 HydrophobicContact CE1-CE1 4.03Å; F454-F636 HydrophobicContact CE2-CD1 4.03Å; F454-F636 AromaticContact CE2-CE1 3.78Å; F454-F636 HydrophobicContact CE2-CE1 3.78Å; F454-F636 HydrophobicContact CZ-CD1 4.05Å; F454-F636 AromaticContact CZ-CE1 3.62Å; F454-F636 HydrophobicContact CZ-CE1 3.62Å; F454-K638 HydrophobicContact CE1-CD 3.76Å; F454-K638 HydrophobicContact CE1-CG 4.43Å; F454-K638 HydrophobicContact CZ-CD 3.94Å
455	V	98.6	Very high	97.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	131.5	171	56.9	0	0	0	0	108.9	M439 L442 Y457 V509 I544 Y545	M439-V455 HydrophobicContact CG-CB 4.04Å; M439-V455 HydrophobicContact CG-CG1 3.53Å; M439-V455 HydrophobicContact SD-CG1 3.89Å; L442-V455 HydrophobicContact CD1-CG2 4.26Å; V455-Y457 HydrophobicContact CB-CE2 4.27Å; V455-Y457 HydrophobicContact CG1-CD2 4.46Å; V455-Y457 HydrophobicContact CG1-CE2 3.55Å; V455-Y457 HydrophobicContact CG2-CD2 4.34Å; V455-Y457 HydrophobicContact CG2-CE1 4.48Å; V455-Y457 HydrophobicContact CG2-CE2 3.78Å; V455-V509 HydrophobicContact CG1-CB 3.91Å; V455-V509 HydrophobicContact CG1-CG2 4.36Å; V455-V509 PolarHBondContact N-O 2.84Å; V455-V509 PolarHBondContact O-N 2.94Å; V455-I544 HydrophobicContact CG2-CG2 3.42Å; V455-I544 VanDerWaalsContact CG2-CG2 3.42Å; V455-Y545 WeakPolarHBondContact CA-O 3.48Å
456	L	98.7	Very high	97.4	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.6	177.2	172.5	68.1	0	0	0	109.2	W421 L424 R506 L508 I544 Y545 L547	W421-L456 HydrophobicContact CZ3-CD1 4.27Å; W421-L456 HydrophobicContact CZ3-CD2 4.15Å; L424-L456 HydrophobicContact CD1-CD2 3.85Å; L424-L456 HydrophobicContact CD2-CD2 3.76Å; L424-L456 HydrophobicContact CG-CD2 4.46Å; L456-R506 HydrophobicContact CD1-CB 3.93Å; L456-R506 HydrophobicContact CD1-CG 4.34Å; L456-L508 HydrophobicContact CB-CD1 4.15Å; L456-L508 HydrophobicContact CD1-CB 4.13Å; L456-I544 CarbonylContact O-C 3.49Å; L456-I544 VanDerWaalsContact O-CA 3.31Å; L456-I544 WeakPolarHBondContact O-CA 3.2Å; L456-Y545 HydrophobicContact CD2-CD2 4Å; L456-Y545 HydrophobicContact CG-CD2 4.31Å; L456-Y545 PolarHBondContact N-O 2.78Å; L456-Y545 PolarHBondContact O-N 3.13Å; L456-L547 HydrophobicContact CB-CD1 4.46Å
457	Y	98.7	Very high	97.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.3	170.2	-57.7	-97	0	0	0	109	P436 V437 V455 R506 I507 V509 I528 I544	P436-Y457 HydrophobicContact CB-CD1 4.27Å; P436-Y457 HydrophobicContact CB-CE1 4.18Å; V437-Y457 VanDerWaalsContact O-CE1 3.22Å; V437-Y457 WeakPolarHBondContact O-CE1 3.43Å; V437-Y457 PolarHBondContact O-OH 2.6Å; V455-Y457 HydrophobicContact CB-CE2 4.27Å; V455-Y457 HydrophobicContact CG1-CD2 4.46Å; V455-Y457 HydrophobicContact CG1-CE2 3.55Å; V455-Y457 HydrophobicContact CG2-CD2 4.34Å; V455-Y457 HydrophobicContact CG2-CE1 4.48Å; V455-Y457 HydrophobicContact CG2-CE2 3.78Å; Y457-R506 CarbonylContact O-C 3.53Å; Y457-R506 WeakPolarHBondContact O-CA 3.47Å; Y457-I507 PolarHBondContact N-O 3.35Å; Y457-I507 PolarHBondContact O-N 3.2Å; Y457-V509 HydrophobicContact CD2-CG2 3.92Å; Y457-V509 HydrophobicContact CE2-CG2 3.73Å; Y457-I528 HydrophobicContact CD1-CD1 4.08Å; Y457-I528 HydrophobicContact CD2-CD1 3.43Å; Y457-I528 VanDerWaalsContact CD2-CD1 3.43Å; Y457-I528 HydrophobicContact CD2-CG1 3.74Å; Y457-I528 HydrophobicContact CE1-CB 4.24Å; Y457-I528 HydrophobicContact CE1-CD1 4.41Å; Y457-I528 HydrophobicContact CE1-CG1 4.47Å; Y457-I528 HydrophobicContact CE2-CB 3.99Å; Y457-I528 HydrophobicContact CE2-CD1 3.8Å; Y457-I528 HydrophobicContact CE2-CG1 3.54Å; Y457-I528 HydrophobicContact CG-CD1 3.59Å; Y457-I528 HydrophobicContact CG-CG1 4.28Å; Y457-I528 PolarHBondContact OH-N 2.85Å; Y457-I544 HydrophobicContact CD1-CB 4.5Å; Y457-I544 HydrophobicContact CD1-CD1 3.93Å; Y457-I544 HydrophobicContact CD1-CG1 3.78Å; Y457-I544 HydrophobicContact CD1-CG2 4.01Å; Y457-I544 HydrophobicContact CE1-CD1 3.86Å; Y457-I544 HydrophobicContact CE1-CG1 4.14Å; Y457-I544 HydrophobicContact CE1-CG2 3.93Å
458	E	98.4	Very high	97.6	Very high	18 Å²	18	23.7 Å²	23.7	8%	0.084	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.2	-179.2	-174.6	179.5	73.5	0	0	111.1	Y504 L505 R506 T543 Y545	E458-Y504 HydrophobicContact CG-CD1 3.8Å; E458-Y504 HydrophobicContact CG-CG 4.43Å; E458-L505 WeakPolarHBondContact CA-O 3.24Å; E458-R506 HydrophobicContact CB-CG 4.36Å; E458-R506 HydrophobicContact CG-CG 3.96Å; E458-R506 IonicContact OE2-CZ 3.96Å; E458-R506 VanDerWaalsContact OE2-CZ 3.3Å; E458-R506 IonicContact OE2-NE 3.05Å; E458-R506 PolarHBondContact OE2-NE 3.25Å; E458-R506 IonicContact OE2-NH2 3.33Å; E458-R506 PolarHBondContact OE2-NH2 3.09Å; E458-T543 PolarHBondContact N-O 2.86Å; E458-T543 PolarHBondContact O-N 2.7Å; E458-Y545 HydrophobicContact CB-CE2 4.38Å
459	K	97.4	Very high	97.6	Very high	59 Å²	59	23.6 Å²	23.6	26%	0.257	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	136.8	174.7	176.8	65.1	-178.8	84.6	0	110.8	I461 L505 E540 G541 F542	K459-I461 HydrophobicContact CG-CG2 4.24Å; K459-L505 PolarHBondContact N-O 2.9Å; K459-L505 WeakPolarHBondContact O-CA 3.47Å; K459-L505 WeakPolarHBondContact O-CB 3.27Å; K459-L505 PolarHBondContact O-N 2.78Å; K459-E540 VanDerWaalsContact CD-O 3.29Å; K459-E540 WeakPolarHBondContact CD-O 3.28Å; K459-E540 WeakPolarHBondContact CE-O 3.37Å; K459-G541 WeakPolarHBondContact CD-O 3.42Å; K459-F542 HydrophobicContact CB-CD1 3.92Å; K459-F542 HydrophobicContact CB-CE1 3.79Å; K459-F542 HydrophobicContact CB-CZ 4.39Å
460	S	97.6	Very high	97.4	Very high	45 Å²	45	26.6 Å²	26.6	32%	0.315	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	127.2	167.7	-177.8	0	0	0	0	111.2	R503	S460-R503 CarbonylContact C-O 3.59Å; S460-R503 WeakPolarHBondContact CA-O 3.17Å
461	I	97.6	Very high	97.3	Very high	9 Å²	9	26.6 Å²	26.6	5%	0.046	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	145.1	177.3	60.6	165	0	0	0	110	K459 L479 I496 L499 C502 R503 L505 I534 L539	K459-I461 HydrophobicContact CG-CG2 4.24Å; I461-L479 HydrophobicContact CD1-CD2 3.9Å; I461-I496 HydrophobicContact CD1-CD1 3.84Å; I461-I496 HydrophobicContact CD1-CG2 4.07Å; I461-L499 HydrophobicContact CD1-CD1 3.78Å; I461-L499 HydrophobicContact CG1-CD1 3.75Å; I461-C502 CarbonylContact O-C 3.41Å; I461-C502 WeakPolarHBondContact O-CA 3.4Å; I461-R503 PolarHBondContact N-O 2.64Å; I461-R503 PolarHBondContact O-N 2.83Å; I461-L505 HydrophobicContact CD1-CB 3.94Å; I461-L505 HydrophobicContact CG1-CB 4.01Å; I461-L505 HydrophobicContact CG2-CB 4.01Å; I461-L505 HydrophobicContact CG2-CD2 4.26Å; I461-I534 HydrophobicContact CB-CD1 4.37Å; I461-I534 HydrophobicContact CD1-CD1 3.92Å; I461-I534 HydrophobicContact CG2-CD1 4.05Å; I461-L539 HydrophobicContact CG2-CD1 4Å; I461-L539 HydrophobicContact CG2-CD2 4.46Å
462	C	96.4	Very high	97.2	Very high	76 Å²	76	27.7 Å²	27.7	51%	0.514	15%	0.151	S	C	.	.	S	Bend	trans	-117.6	4.7	-177.6	-49.9	0	0	0	0	113.2	C502	C462-C502 HydrophobicContact CB-CB 4.07Å; C462-C502 WeakPolarHBondContact CB-SG 2.94Å; C462-C502 WeakPolarHBondContact SG-CB 3.49Å; C462-C502 CovalentContact SG-SG 2.04Å; C462-C502 PolarHBondContact SG-SG 2.81Å
463	S	94.9	Very high	96.9	Very high	72 Å²	72	26 Å²	26	50%	0.503	15%	0.145	S	C	.	.			trans	-141.8	144.8	177.3	60.5	0	0	0	0	110.9
464	G	95.6	Very high	96.9	Very high	14 Å²	14	27.4 Å²	27.4	14%	0.144	15%	0.152	C	C	.	.			trans	-83.3	-178.2	171.3	0	0	0	0	0	112.7	P497	G464-P497 WeakPolarHBondContact CA-O 3.46Å
465	G	97.1	Very high	96.8	Very high	9 Å²	9	27.4 Å²	27.4	9%	0.093	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.6	-167	178.6	0	0	0	0	0	113.9	L467 I496 N535	G465-L467 PolarHBondContact O-N 2.86Å; G465-I496 PolarHBondContact N-O 2.95Å; G465-I496 PolarHBondContact O-N 2.94Å; G465-N535 WeakPolarHBondContact CA-OD1 3.46Å
466	R	97.8	Very high	96.8	Very high	120 Å²	120	27.5 Å²	27.5	45%	0.453	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	105.8	175.8	-174.2	177.9	73.5	143.9	-2.4	110	D493 I534 N535 N536	R466-D493 WeakPolarHBondContact CD-OD1 3.5Å; R466-D493 IonicContact CZ-OD1 2.97Å; R466-D493 IonicContact NE-OD1 2.77Å; R466-D493 IonicContact NH1-OD1 3.3Å; R466-D493 PolarHBondContact NH1-OD1 3.13Å; R466-I534 CarbonylContact O-C 3.53Å; R466-I534 VanDerWaalsContact O-CA 3.32Å; R466-I534 WeakPolarHBondContact O-CA 3.35Å; R466-N535 PolarHBondContact N-OD1 2.91Å; R466-N535 PolarHBondContact O-N 2.85Å; R466-N536 PolarHBondContact NH2-OD1 2.95Å
467	L	98.2	Very high	96.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	131.5	168.2	177.7	68	0	0	0	109.5	G465 V477 L487 D493 L494 I496 L505 V532 S533 I534	G465-L467 PolarHBondContact O-N 2.86Å; L467-V477 HydrophobicContact CD2-CG1 3.78Å; L467-V477 HydrophobicContact CD2-CG2 4.34Å; L467-L487 HydrophobicContact CD2-CD1 4.33Å; L467-D493 CarbonylContact O-C 3.54Å; L467-D493 VanDerWaalsContact O-CA 3.3Å; L467-D493 WeakPolarHBondContact O-CA 3.22Å; L467-L494 WeakPolarHBondContact CA-O 3.35Å; L467-L494 HydrophobicContact CB-CB 4.47Å; L467-L494 WeakPolarHBondContact CB-O 3.33Å; L467-L494 HydrophobicContact CD2-CB 4.48Å; L467-L494 PolarHBondContact N-O 3.04Å; L467-L494 PolarHBondContact O-N 3.11Å; L467-I496 HydrophobicContact CB-CD1 3.77Å; L467-I496 HydrophobicContact CB-CG1 3.89Å; L467-I496 HydrophobicContact CD1-CD1 4.26Å; L467-I496 HydrophobicContact CD2-CD1 4.22Å; L467-I496 HydrophobicContact CG-CD1 4.31Å; L467-L505 HydrophobicContact CD1-CD2 3.95Å; L467-L505 HydrophobicContact CD2-CD1 4.27Å; L467-V532 HydrophobicContact CD1-CG1 3.61Å; L467-S533 CarbonylContact C-O 3.59Å; L467-S533 VanDerWaalsContact CA-O 3.3Å; L467-S533 WeakPolarHBondContact CA-O 3.36Å; L467-I534 HydrophobicContact CD1-CG1 4.25Å
468	C	97.7	Very high	96.8	Very high	24 Å²	24	27.6 Å²	27.6	16%	0.162	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	128.6	169.3	-175.3	0	0	0	0	109.7	Q492 V532 S533	C468-Q492 WeakPolarHBondContact CA-O 3.4Å; C468-V532 WeakPolarHBondContact O-CA 3.48Å; C468-S533 PolarHBondContact N-O 2.82Å; C468-S533 PolarHBondContact O-N 3.01Å
469	A	96.9	Very high	96.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	139.1	174.9	0	0	0	0	0	112.3	A471 L487 Q492 V532	A469-A471 PolarHBondContact O-N 2.93Å; A469-L487 HydrophobicContact CB-CD1 3.87Å; A469-Q492 PolarHBondContact N-O 2.63Å; A469-V532 HydrophobicContact CB-CB 4.46Å; A469-V532 HydrophobicContact CB-CG1 4.27Å; A469-V532 HydrophobicContact CB-CG2 3.88Å
470	H	94.9	Very high	96.7	Very high	64 Å²	64	26.1 Å²	26.1	30%	0.296	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	86.7	176.4	-60.5	-79.6	0	0	0	110.6	Q492 I528 T529	H470-Q492 PolarHBondContact CE1-OE1 3.13Å; H470-Q492 PolarHBondContact ND1-NE2 3.48Å; H470-Q492 VanDerWaalsContact ND1-NE2 3.13Å; H470-Q492 PolarHBondContact ND1-OE1 2.87Å; H470-I528 WeakPolarHBondContact O-CA 3.19Å; H470-T529 PolarHBondContact O-N 2.8Å; H470-T529 VanDerWaalsContact O-N 3.11Å; H470-T529 PolarHBondContact O-OG1 2.74Å
471	A	95.3	Very high	96.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	127.9	179.8	0	0	0	0	0	112	A469 A475 L487 V509	A469-A471 PolarHBondContact O-N 2.93Å; A471-A475 HydrophobicContact CB-CB 3.64Å; A471-L487 HydrophobicContact CB-CB 4.17Å; A471-V509 HydrophobicContact CB-CG1 4.46Å
472	H	95.1	Very high	96.5	Very high	32 Å²	32	32.7 Å²	32.7	15%	0.148	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	116	175.1	-71.2	-106.5	0	0	0	110.3	E489 V509 K526 G527 T529	H472-E489 IonicContact CE1-OE1 2.71Å; H472-E489 IonicContact CG-OE1 3.34Å; H472-E489 IonicContact ND1-OE1 2.7Å; H472-E489 PolarHBondContact ND1-OE1 3.45Å; H472-V509 WeakPolarHBondContact O-CG1 3.41Å; H472-K526 HydrophobicContact CB-CD 4.28Å; H472-G527 PolarHBondContact N-O 2.88Å; H472-G527 PolarHBondContact O-N 3.42Å; H472-T529 PolarHBondContact CD2-OG1 2.93Å
473	D	93.1	Very high	96.5	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	17%	0.168	C	C	.	.	S	Bend	cis	-102.8	-35.9	8.5	-59.6	-55	0	0	0	113.2	H359 N488 E510 Q512 K526	H359-D473 IonicContact CD2-OD1 3.74Å; H359-D473 VanDerWaalsContact CE1-CG 3.49Å; H359-D473 IonicContact CE1-OD1 2.81Å; H359-D473 PolarHBondContact CE1-OD1 3.47Å; H359-D473 VanDerWaalsContact CE1-OD1 3.31Å; H359-D473 IonicContact CE1-OD2 3.02Å; H359-D473 IonicContact CG-OD1 3.83Å; H359-D473 IonicContact ND1-OD1 3.9Å; H359-D473 PolarHBondContact ND1-OD1 2.84Å; H359-D473 IonicContact NE2-OD1 3.54Å; H359-D473 IonicContact NE2-OD2 3.87Å; H359-D473 PolarHBondContact NE2-OD2 3.18Å; D473-N488 WeakPolarHBondContact O-CA 3.43Å; D473-N488 WeakPolarHBondContact O-CB 3.37Å; D473-E510 PolarHBondContact N-O 3.3Å; D473-E510 VanDerWaalsContact N-O 3.13Å; D473-Q512 HydrophobicContact CB-CB 3.95Å; D473-Q512 HydrophobicContact CB-CG 3.99Å; D473-Q512 PolarHBondContact OD2-N 2.88Å; D473-K526 IonicContact OD1-NZ 3.29Å; D473-K526 PolarHBondContact OD1-NZ 2.87Å; D473-K526 IonicContact OD2-NZ 2.88Å; D473-K526 PolarHBondContact OD2-NZ 2.75Å
474	M	95.7	Very high	96.6	Very high	30 Å²	30	30.5 Å²	30.5	15%	0.148	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	134.4	178.1	-176.2	-152.8	-77.2	0	0	109.2	I486 L487 V509 E510 Y597 W611	M474-I486 HydrophobicContact CG-CG2 3.63Å; M474-I486 HydrophobicContact SD-CG2 4.3Å; M474-L487 CarbonylContact C-O 3.54Å; M474-L487 WeakPolarHBondContact CA-O 3.44Å; M474-V509 WeakPolarHBondContact O-CA 3.33Å; M474-E510 PolarHBondContact O-N 3.33Å; M474-Y597 HydrophobicContact CE-CE1 4.27Å; M474-W611 HydrophobicContact CE-CH2 4.15Å; M474-W611 HydrophobicContact CE-CZ2 4.35Å
475	A	97.9	Very high	96.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.1	172.7	0	0	0	0	0	112.5	A471 I486 L487 I507 L508 V509	A471-A475 HydrophobicContact CB-CB 3.64Å; A475-I486 CarbonylContact O-C 3.52Å; A475-I486 VanDerWaalsContact O-CA 3.25Å; A475-I486 WeakPolarHBondContact O-CA 3.16Å; A475-L487 HydrophobicContact CB-CB 4.31Å; A475-L487 PolarHBondContact N-O 2.78Å; A475-L487 PolarHBondContact O-N 2.97Å; A475-I507 HydrophobicContact CB-CG2 3.67Å; A475-L508 CarbonylContact C-O 3.6Å; A475-L508 WeakPolarHBondContact CA-O 3.46Å; A475-V509 HydrophobicContact CB-CB 4.35Å; A475-V509 HydrophobicContact CB-CG1 4.4Å; A475-V509 HydrophobicContact CB-CG2 3.89Å
476	Q	98.4	Very high	96.7	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.009	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	129.3	164.3	-65.7	172.6	-89.6	0	0	108.4	F478 M483 L508 K638	Q476-F478 HydrophobicContact CB-CD2 4.34Å; Q476-F478 HydrophobicContact CB-CE2 3.34Å; Q476-F478 HydrophobicContact CB-CZ 3.54Å; Q476-F478 HydrophobicContact CG-CZ 4.42Å; Q476-F478 WeakPolarHBondContact O-CD2 3.29Å; Q476-F478 WeakPolarHBondContact O-CE2 2.75Å; Q476-M483 HydrophobicContact CB-CE 4.11Å; Q476-M483 HydrophobicContact CB-SD 4.46Å; Q476-M483 HydrophobicContact CG-CE 3.82Å; Q476-M483 HydrophobicContact CG-SD 4.33Å; Q476-L508 PolarHBondContact N-O 2.68Å; Q476-L508 PolarHBondContact O-N 2.72Å; Q476-K638 PolarHBondContact NE2-O 3.06Å
477	V	98.5	Very high	96.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.7	-179.9	-172.8	0	0	0	0	109.4	L467 M483 I484 G485 L487 L494 L505 R506 I507	L467-V477 HydrophobicContact CD2-CG1 3.78Å; L467-V477 HydrophobicContact CD2-CG2 4.34Å; V477-M483 CarbonylContact O-C 3.07Å; V477-M483 WeakPolarHBondContact O-CA 3.29Å; V477-I484 HydrophobicContact CB-CG1 4.12Å; V477-I484 HydrophobicContact CG1-CD1 3.84Å; V477-I484 HydrophobicContact CG1-CG1 3.83Å; V477-I484 WeakPolarHBondContact O-CG1 3.1Å; V477-I484 PolarHBondContact O-N 2.82Å; V477-G485 PolarHBondContact N-O 2.89Å; V477-G485 PolarHBondContact O-N 3.48Å; V477-L487 HydrophobicContact CG2-CD1 3.81Å; V477-L487 HydrophobicContact CG2-CG 3.8Å; V477-L494 HydrophobicContact CB-CD2 3.63Å; V477-L494 HydrophobicContact CG1-CD2 3.88Å; V477-L494 HydrophobicContact CG2-CD2 3.89Å; V477-L505 HydrophobicContact CG1-CD1 3.65Å; V477-R506 CarbonylContact C-O 3.57Å; V477-R506 WeakPolarHBondContact CA-O 3.16Å; V477-I507 HydrophobicContact CG1-CG1 4.42Å
478	F	98.5	Very high	96.4	Very high	1 Å²	1	29.4 Å²	29.4	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	147.2	-178.2	-49.2	-105.1	0	0	0	111.3	W421 Q476 T482 M483 R506 L508 P572	W421-F478 HydrophobicContact CH2-CD1 4.17Å; W421-F478 AromaticContact CH2-CD2 3.75Å; W421-F478 HydrophobicContact CH2-CD2 3.75Å; W421-F478 HydrophobicContact CH2-CE1 4.27Å; W421-F478 AromaticContact CH2-CE2 3.85Å; W421-F478 HydrophobicContact CH2-CE2 3.85Å; W421-F478 AromaticContact CH2-CG 3.93Å; W421-F478 HydrophobicContact CH2-CG 3.93Å; W421-F478 HydrophobicContact CH2-CZ 4.13Å; W421-F478 AromaticContact CZ2-CD1 3.72Å; W421-F478 HydrophobicContact CZ2-CD1 3.72Å; W421-F478 HydrophobicContact CZ2-CD2 4.17Å; W421-F478 AromaticContact CZ2-CE1 3.82Å; W421-F478 HydrophobicContact CZ2-CE1 3.82Å; W421-F478 HydrophobicContact CZ2-CE2 4.24Å; W421-F478 AromaticContact CZ2-CG 3.93Å; W421-F478 HydrophobicContact CZ2-CG 3.93Å; W421-F478 HydrophobicContact CZ2-CZ 4.08Å; Q476-F478 HydrophobicContact CB-CD2 4.34Å; Q476-F478 HydrophobicContact CB-CE2 3.34Å; Q476-F478 HydrophobicContact CB-CZ 3.54Å; Q476-F478 HydrophobicContact CG-CZ 4.42Å; Q476-F478 WeakPolarHBondContact O-CD2 3.29Å; Q476-F478 WeakPolarHBondContact O-CE2 2.75Å; F478-T482 CarbonylContact C-O 3.55Å; F478-T482 WeakPolarHBondContact CA-O 3.45Å; F478-M483 VanDerWaalsContact CD1-CA 3.49Å; F478-M483 HydrophobicContact CD1-CB 3.69Å; F478-M483 HydrophobicContact CD1-CG 4.28Å; F478-M483 HydrophobicContact CE1-CB 3.65Å; F478-M483 HydrophobicContact CE1-CG 4.03Å; F478-M483 HydrophobicContact CE1-SD 4.47Å; F478-M483 HydrophobicContact CZ-CG 4.44Å; F478-R506 HydrophobicContact CB-CB 4.11Å; F478-R506 HydrophobicContact CD2-CB 4.47Å; F478-R506 PolarHBondContact N-O 2.96Å; F478-R506 PolarHBondContact O-N 2.75Å; F478-L508 HydrophobicContact CE2-CB 4.05Å; F478-P572 HydrophobicContact CE1-CG 4.42Å; F478-P572 HydrophobicContact CZ-CG 4.01Å
479	L	97.5	Very high	95.9	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	114.6	159.6	-71.2	179.8	0	0	0	108.6	I461 E481 T482 I484 I496 P497 L499 R503 Y504 L505	I461-L479 HydrophobicContact CD1-CD2 3.9Å; L479-E481 PolarHBondContact O-N 3.23Å; L479-T482 PolarHBondContact N-O 3.16Å; L479-T482 PolarHBondContact O-N 2.72Å; L479-I484 HydrophobicContact CB-CG2 4.38Å; L479-I484 HydrophobicContact CD1-CD1 4.5Å; L479-I484 HydrophobicContact CD1-CG2 4.17Å; L479-I484 HydrophobicContact CG-CD1 4.06Å; L479-I484 HydrophobicContact CG-CG2 4.11Å; L479-I496 HydrophobicContact CD1-CG2 3.98Å; L479-I496 HydrophobicContact CD2-CG2 4.1Å; L479-I496 HydrophobicContact CG-CG2 4.48Å; L479-P497 HydrophobicContact CD1-CG 3.77Å; L479-L499 HydrophobicContact CD1-CD2 3.96Å; L479-R503 PolarHBondContact O-NH2 3.43Å; L479-Y504 CarbonylContact C-O 3.55Å; L479-Y504 WeakPolarHBondContact CA-O 2.94Å; L479-L505 HydrophobicContact CD2-CD1 4.47Å
480	D	95.6	Very high	95.4	Very high	46 Å²	46	35.7 Å²	35.7	25%	0.246	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	-100.6	-161.8	-50.9	-45.8	0	0	0	110.3	R503 Y504 R506	D480-R503 IonicContact OD2-CZ 3.14Å; D480-R503 IonicContact OD2-NE 2.79Å; D480-R503 PolarHBondContact OD2-NE 3.08Å; D480-R503 IonicContact OD2-NH2 2.73Å; D480-R503 PolarHBondContact OD2-NH2 3.44Å; D480-Y504 PolarHBondContact N-O 2.7Å; D480-Y504 PolarHBondContact OD1-N 2.91Å; D480-R506 VanDerWaalsContact O-CD 3.31Å; D480-R506 WeakPolarHBondContact O-CD 3.4Å; D480-R506 PolarHBondContact O-NH1 3.03Å
481	E	95.4	Very high	95.3	Very high	103 Å²	103	36 Å²	36	48%	0.481	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-6.5	-179.9	-54.5	-169.5	178.6	0	0	112.5	W421 L479	W421-E481 HydrophobicContact CB-CG 4.46Å; W421-E481 HydrophobicContact CD2-CG 4.48Å; W421-E481 HydrophobicContact CG-CG 3.87Å; L479-E481 PolarHBondContact O-N 3.23Å
482	T	95.8	Very high	95.3	Very high	88 Å²	88	38.6 Å²	38.6	54%	0.54	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	118.8	-176.5	-51.3	0	0	0	0	110.7	F478 L479 I484	F478-T482 CarbonylContact C-O 3.55Å; F478-T482 WeakPolarHBondContact CA-O 3.45Å; L479-T482 PolarHBondContact N-O 3.16Å; L479-T482 PolarHBondContact O-N 2.72Å; T482-I484 PolarHBondContact O-N 2.91Å
483	M	97	Very high	95.4	Very high	56 Å²	56	40 Å²	40	28%	0.276	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	128.7	176.2	-170.9	174.7	170.2	0	0	110.7	Q476 V477 F478 G485 I486	Q476-M483 HydrophobicContact CB-CE 4.11Å; Q476-M483 HydrophobicContact CB-SD 4.46Å; Q476-M483 HydrophobicContact CG-CE 3.82Å; Q476-M483 HydrophobicContact CG-SD 4.33Å; V477-M483 CarbonylContact O-C 3.07Å; V477-M483 WeakPolarHBondContact O-CA 3.29Å; F478-M483 VanDerWaalsContact CD1-CA 3.49Å; F478-M483 HydrophobicContact CD1-CB 3.69Å; F478-M483 HydrophobicContact CD1-CG 4.28Å; F478-M483 HydrophobicContact CE1-CB 3.65Å; F478-M483 HydrophobicContact CE1-CG 4.03Å; F478-M483 HydrophobicContact CE1-SD 4.47Å; F478-M483 HydrophobicContact CZ-CG 4.44Å; M483-G485 WeakPolarHBondContact CE-O 3.43Å; M483-I486 HydrophobicContact CE-CD1 3.81Å; M483-I486 HydrophobicContact CE-CG1 3.26Å
484	I	97.3	Very high	95.6	Very high	46 Å²	46	41.2 Å²	41.2	24%	0.236	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-14	179.5	56.9	156.5	0	0	0	113.3	V477 L479 T482 L494 I496	V477-I484 HydrophobicContact CB-CG1 4.12Å; V477-I484 HydrophobicContact CG1-CD1 3.84Å; V477-I484 HydrophobicContact CG1-CG1 3.83Å; V477-I484 WeakPolarHBondContact O-CG1 3.1Å; V477-I484 PolarHBondContact O-N 2.82Å; L479-I484 HydrophobicContact CB-CG2 4.38Å; L479-I484 HydrophobicContact CD1-CD1 4.5Å; L479-I484 HydrophobicContact CD1-CG2 4.17Å; L479-I484 HydrophobicContact CG-CD1 4.06Å; L479-I484 HydrophobicContact CG-CG2 4.11Å; T482-I484 PolarHBondContact O-N 2.91Å; I484-L494 HydrophobicContact CD1-CD2 3.81Å; I484-L494 HydrophobicContact CG1-CD2 3.85Å; I484-I496 HydrophobicContact CD1-CG1 3.93Å
485	G	97.3	Very high	95.7	Very high	16 Å²	16	46.1 Å²	46.1	17%	0.165	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.3	-173.7	174.8	0	0	0	0	0	115.1	V477 M483	V477-G485 PolarHBondContact N-O 2.89Å; V477-G485 PolarHBondContact O-N 3.48Å; M483-G485 WeakPolarHBondContact CE-O 3.43Å
486	I	97.1	Very high	95.7	Very high	55 Å²	55	46.1 Å²	46.1	28%	0.282	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.2	179.4	-61	177.1	0	0	0	109.5	M474 A475 M483 N491	M474-I486 HydrophobicContact CG-CG2 3.63Å; M474-I486 HydrophobicContact SD-CG2 4.3Å; A475-I486 CarbonylContact O-C 3.52Å; A475-I486 VanDerWaalsContact O-CA 3.25Å; A475-I486 WeakPolarHBondContact O-CA 3.16Å; M483-I486 HydrophobicContact CE-CD1 3.81Å; M483-I486 HydrophobicContact CE-CG1 3.26Å; I486-N491 PolarHBondContact O-ND2 3.23Å
487	L	97	Very high	95.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	147.9	166.5	-59.1	175.7	0	0	0	109.8	L467 A469 A471 M474 A475 V477 N491 L494	L467-L487 HydrophobicContact CD2-CD1 4.33Å; A469-L487 HydrophobicContact CB-CD1 3.87Å; A471-L487 HydrophobicContact CB-CB 4.17Å; M474-L487 CarbonylContact C-O 3.54Å; M474-L487 WeakPolarHBondContact CA-O 3.44Å; A475-L487 HydrophobicContact CB-CB 4.31Å; A475-L487 PolarHBondContact N-O 2.78Å; A475-L487 PolarHBondContact O-N 2.97Å; V477-L487 HydrophobicContact CG2-CD1 3.81Å; V477-L487 HydrophobicContact CG2-CG 3.8Å; L487-N491 CarbonylContact C-O 3.6Å; L487-N491 VanDerWaalsContact CA-O 3.25Å; L487-N491 WeakPolarHBondContact CA-O 3.31Å; L487-L494 HydrophobicContact CD2-CB 3.9Å
488	N	93.1	Very high	95.3	Very high	49 Å²	49	57.8 Å²	57.8	26%	0.262	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	-178.8	172.5	60.4	60.3	0	0	0	109.7	D473 N490 N491	D473-N488 WeakPolarHBondContact O-CA 3.43Å; D473-N488 WeakPolarHBondContact O-CB 3.37Å; N488-N490 PolarHBondContact O-N 3.36Å; N488-N490 VanDerWaalsContact O-N 3.09Å; N488-N490 WeakPolarHBondContact OD1-CA 3.41Å; N488-N490 WeakPolarHBondContact OD1-CB 3.47Å; N488-N490 PolarHBondContact OD1-N 2.79Å; N488-N491 PolarHBondContact N-O 3.44Å; N488-N491 CarbonylContact O-C 3.56Å; N488-N491 VanDerWaalsContact O-C 3.22Å; N488-N491 PolarHBondContact O-N 3.49Å; N488-N491 PolarHBondContact OD1-N 2.87Å
489	E	86.8	Confident	95.2	Very high	39 Å²	39	59.1 Å²	59.1	18%	0.182	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-31	-179	-59.2	-172.4	156	0	0	114.2	H359 H472	H359-E489 WeakPolarHBondContact CB-OE2 3.27Å; H472-E489 IonicContact CE1-OE1 2.71Å; H472-E489 IonicContact CG-OE1 3.34Å; H472-E489 IonicContact ND1-OE1 2.7Å; H472-E489 PolarHBondContact ND1-OE1 3.45Å
490	N	87.4	Confident	94.8	Very high	118 Å²	118	70.7 Å²	70.7	63%	0.631	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-13.1	179.9	-63.7	-41.3	0	0	0	113.7	N488	N488-N490 PolarHBondContact O-N 3.36Å; N488-N490 VanDerWaalsContact O-N 3.09Å; N488-N490 WeakPolarHBondContact OD1-CA 3.41Å; N488-N490 WeakPolarHBondContact OD1-CB 3.47Å; N488-N490 PolarHBondContact OD1-N 2.79Å
491	N	92.4	Very high	94.7	Very high	71 Å²	71	74.5 Å²	74.5	38%	0.38	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-138.5	97.1	179.9	-175.2	43.8	0	0	0	110.3	I486 L487 N488 D493	I486-N491 PolarHBondContact O-ND2 3.23Å; L487-N491 CarbonylContact C-O 3.6Å; L487-N491 VanDerWaalsContact CA-O 3.25Å; L487-N491 WeakPolarHBondContact CA-O 3.31Å; N488-N491 PolarHBondContact N-O 3.44Å; N488-N491 CarbonylContact O-C 3.56Å; N488-N491 VanDerWaalsContact O-C 3.22Å; N488-N491 PolarHBondContact O-N 3.49Å; N488-N491 PolarHBondContact OD1-N 2.87Å; N491-D493 PolarHBondContact ND2-O 3.47Å; N491-D493 PolarHBondContact OD1-O 3.44Å
492	Q	94.5	Very high	94.8	Very high	54 Å²	54	73 Å²	73	25%	0.252	37%	0.371	S	S	.	.			trans	-102.8	-3.2	-174.6	-65.8	175.4	-11.2	0	0	113.2	C468 A469 H470	C468-Q492 WeakPolarHBondContact CA-O 3.4Å; A469-Q492 PolarHBondContact N-O 2.63Å; H470-Q492 PolarHBondContact CE1-OE1 3.13Å; H470-Q492 PolarHBondContact ND1-NE2 3.48Å; H470-Q492 VanDerWaalsContact ND1-NE2 3.13Å; H470-Q492 PolarHBondContact ND1-OE1 2.87Å
493	D	96.4	Very high	94.9	Very high	61 Å²	61	72.6 Å²	72.6	33%	0.326	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	143.4	179.7	-66.5	-96.7	0	0	0	111.2	R466 L467 N491	R466-D493 WeakPolarHBondContact CD-OD1 3.5Å; R466-D493 IonicContact CZ-OD1 2.97Å; R466-D493 IonicContact NE-OD1 2.77Å; R466-D493 IonicContact NH1-OD1 3.3Å; R466-D493 PolarHBondContact NH1-OD1 3.13Å; L467-D493 CarbonylContact O-C 3.54Å; L467-D493 VanDerWaalsContact O-CA 3.3Å; L467-D493 WeakPolarHBondContact O-CA 3.22Å; N491-D493 PolarHBondContact ND2-O 3.47Å; N491-D493 PolarHBondContact OD1-O 3.44Å
494	L	97.4	Very high	94.9	Very high	29 Å²	29	75.3 Å²	75.3	15%	0.152	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	146	172.1	-175.3	68.4	0	0	0	110.1	L467 V477 I484 L487	L467-L494 WeakPolarHBondContact CA-O 3.35Å; L467-L494 HydrophobicContact CB-CB 4.47Å; L467-L494 WeakPolarHBondContact CB-O 3.33Å; L467-L494 HydrophobicContact CD2-CB 4.48Å; L467-L494 PolarHBondContact N-O 3.04Å; L467-L494 PolarHBondContact O-N 3.11Å; V477-L494 HydrophobicContact CB-CD2 3.63Å; V477-L494 HydrophobicContact CG1-CD2 3.88Å; V477-L494 HydrophobicContact CG2-CD2 3.89Å; I484-L494 HydrophobicContact CD1-CD2 3.81Å; I484-L494 HydrophobicContact CG1-CD2 3.85Å; L487-L494 HydrophobicContact CD2-CB 3.9Å
495	H	97.8	Very high	95	Very high	134 Å²	134	73.2 Å²	73.2	62%	0.62	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	124	173.5	-175.6	63.9	0	0	0	111.1
496	I	97.8	Very high	95	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.9	169.6	-59.7	-179.7	0	0	0	107.9	I461 G465 L467 L479 I484 L505 I534	I461-I496 HydrophobicContact CD1-CD1 3.84Å; I461-I496 HydrophobicContact CD1-CG2 4.07Å; G465-I496 PolarHBondContact N-O 2.95Å; G465-I496 PolarHBondContact O-N 2.94Å; L467-I496 HydrophobicContact CB-CD1 3.77Å; L467-I496 HydrophobicContact CB-CG1 3.89Å; L467-I496 HydrophobicContact CD1-CD1 4.26Å; L467-I496 HydrophobicContact CD2-CD1 4.22Å; L467-I496 HydrophobicContact CG-CD1 4.31Å; L479-I496 HydrophobicContact CD1-CG2 3.98Å; L479-I496 HydrophobicContact CD2-CG2 4.1Å; L479-I496 HydrophobicContact CG-CG2 4.48Å; I484-I496 HydrophobicContact CD1-CG1 3.93Å; I496-L505 HydrophobicContact CD1-CD1 4.08Å; I496-L505 HydrophobicContact CD1-CD2 4.4Å; I496-I534 HydrophobicContact CD1-CD1 3.75Å; I496-I534 HydrophobicContact CD1-CG1 4.15Å
497	P	95.7	Very high	95.1	Very high	58 Å²	58	71 Å²	71	38%	0.377	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-61.5	158.7	177.5	27.4	-35.8	0	0	0	111.9	G464 L479 L499	G464-P497 WeakPolarHBondContact CA-O 3.46Å; L479-P497 HydrophobicContact CD1-CG 3.77Å; P497-L499 WeakPolarHBondContact O-CD2 3.39Å; P497-L499 PolarHBondContact O-N 2.69Å
498	E	94.7	Very high	95.2	Very high	189 Å²	189	71 Å²	71	88%	0.883	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-57.5	138.2	173.6	-67.3	-174	170.4	0	0	111.4
499	L	94.6	Very high	95.4	Very high	29 Å²	29	68.7 Å²	68.7	15%	0.152	33%	0.328	C	S	.	.			trans	-109	132.2	-174.5	-57.4	-174.7	0	0	0	109.8	I461 L479 P497	I461-L499 HydrophobicContact CD1-CD1 3.78Å; I461-L499 HydrophobicContact CG1-CD1 3.75Å; L479-L499 HydrophobicContact CD1-CD2 3.96Å; P497-L499 WeakPolarHBondContact O-CD2 3.39Å; P497-L499 PolarHBondContact O-N 2.69Å
500	R	89.8	Confident	96	Very high	243 Å²	243	67 Å²	67	92%	0.917	32%	0.32	S	S	*	.	S	Bend	trans	-82.4	-36.3	172.5	-65.1	-177.3	-178.9	179	-0.1	111.9
501	D	94.4	Very high	96.5	Very high	126 Å²	126	61.6 Å²	61.6	67%	0.674	29%	0.291	S	S	*	.	S	Bend	trans	-133.8	165.1	-179.1	-59.1	-63.7	0	0	0	109.8	R503	D501-R503 PolarHBondContact O-N 2.84Å
502	C	96.8	Very high	96.7	Very high	73 Å²	73	58.9 Å²	58.9	49%	0.493	28%	0.276	S	S	.	.			trans	-66.7	133.3	174.5	-52.9	0	0	0	0	111	I461 C462	I461-C502 CarbonylContact O-C 3.41Å; I461-C502 WeakPolarHBondContact O-CA 3.4Å; C462-C502 HydrophobicContact CB-CB 4.07Å; C462-C502 WeakPolarHBondContact CB-SG 2.94Å; C462-C502 WeakPolarHBondContact SG-CB 3.49Å; C462-C502 CovalentContact SG-SG 2.04Å; C462-C502 PolarHBondContact SG-SG 2.81Å
503	R	97.4	Very high	96.9	Very high	78 Å²	78	56.4 Å²	56.4	29%	0.294	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	161.9	-179.1	-58.7	-172.8	71.3	-169.3	-3.5	110.8	S460 I461 L479 D480 D501 L505	S460-R503 CarbonylContact C-O 3.59Å; S460-R503 WeakPolarHBondContact CA-O 3.17Å; I461-R503 PolarHBondContact N-O 2.64Å; I461-R503 PolarHBondContact O-N 2.83Å; L479-R503 PolarHBondContact O-NH2 3.43Å; D480-R503 IonicContact OD2-CZ 3.14Å; D480-R503 IonicContact OD2-NE 2.79Å; D480-R503 PolarHBondContact OD2-NE 3.08Å; D480-R503 IonicContact OD2-NH2 2.73Å; D480-R503 PolarHBondContact OD2-NH2 3.44Å; D501-R503 PolarHBondContact O-N 2.84Å; R503-L505 PolarHBondContact O-N 3.03Å
504	Y	97.6	Very high	97	Very high	114 Å²	114	53.5 Å²	53.5	45%	0.447	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	116.2	173.2	-71	-71.8	0	0	0	110.8	E458 L479 D480	E458-Y504 HydrophobicContact CG-CD1 3.8Å; E458-Y504 HydrophobicContact CG-CG 4.43Å; L479-Y504 CarbonylContact C-O 3.55Å; L479-Y504 WeakPolarHBondContact CA-O 2.94Å; D480-Y504 PolarHBondContact N-O 2.7Å; D480-Y504 PolarHBondContact OD1-N 2.91Å
505	L	98.4	Very high	97	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	122.8	160.2	177.1	63.8	0	0	0	108.5	E458 K459 I461 L467 V477 L479 I496 R503 I507 L539	E458-L505 WeakPolarHBondContact CA-O 3.24Å; K459-L505 PolarHBondContact N-O 2.9Å; K459-L505 WeakPolarHBondContact O-CA 3.47Å; K459-L505 WeakPolarHBondContact O-CB 3.27Å; K459-L505 PolarHBondContact O-N 2.78Å; I461-L505 HydrophobicContact CD1-CB 3.94Å; I461-L505 HydrophobicContact CG1-CB 4.01Å; I461-L505 HydrophobicContact CG2-CB 4.01Å; I461-L505 HydrophobicContact CG2-CD2 4.26Å; L467-L505 HydrophobicContact CD1-CD2 3.95Å; L467-L505 HydrophobicContact CD2-CD1 4.27Å; V477-L505 HydrophobicContact CG1-CD1 3.65Å; L479-L505 HydrophobicContact CD2-CD1 4.47Å; I496-L505 HydrophobicContact CD1-CD1 4.08Å; I496-L505 HydrophobicContact CD1-CD2 4.4Å; R503-L505 PolarHBondContact O-N 3.03Å; L505-I507 HydrophobicContact CD1-CG1 4.45Å; L505-I507 HydrophobicContact CD2-CD1 4.38Å; L505-I507 HydrophobicContact CG-CG1 4.3Å; L505-L539 HydrophobicContact CD2-CD1 3.74Å
506	R	98.6	Very high	97	Very high	24 Å²	24	46 Å²	46	9%	0.091	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.9	178.9	-74.8	-177.5	-174.3	154.2	-8	110	L456 Y457 E458 V477 F478 D480	L456-R506 HydrophobicContact CD1-CB 3.93Å; L456-R506 HydrophobicContact CD1-CG 4.34Å; Y457-R506 CarbonylContact O-C 3.53Å; Y457-R506 WeakPolarHBondContact O-CA 3.47Å; E458-R506 HydrophobicContact CB-CG 4.36Å; E458-R506 HydrophobicContact CG-CG 3.96Å; E458-R506 IonicContact OE2-CZ 3.96Å; E458-R506 VanDerWaalsContact OE2-CZ 3.3Å; E458-R506 IonicContact OE2-NE 3.05Å; E458-R506 PolarHBondContact OE2-NE 3.25Å; E458-R506 IonicContact OE2-NH2 3.33Å; E458-R506 PolarHBondContact OE2-NH2 3.09Å; V477-R506 CarbonylContact C-O 3.57Å; V477-R506 WeakPolarHBondContact CA-O 3.16Å; F478-R506 HydrophobicContact CB-CB 4.11Å; F478-R506 HydrophobicContact CD2-CB 4.47Å; F478-R506 PolarHBondContact N-O 2.96Å; F478-R506 PolarHBondContact O-N 2.75Å; D480-R506 VanDerWaalsContact O-CD 3.31Å; D480-R506 WeakPolarHBondContact O-CD 3.4Å; D480-R506 PolarHBondContact O-NH1 3.03Å
507	I	98.6	Very high	96.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	99.4	179.3	-52.6	174.4	0	0	0	107.3	Y457 A475 V477 L505 V509 I528 V532	Y457-I507 PolarHBondContact N-O 3.35Å; Y457-I507 PolarHBondContact O-N 3.2Å; A475-I507 HydrophobicContact CB-CG2 3.67Å; V477-I507 HydrophobicContact CG1-CG1 4.42Å; L505-I507 HydrophobicContact CD1-CG1 4.45Å; L505-I507 HydrophobicContact CD2-CD1 4.38Å; L505-I507 HydrophobicContact CG-CG1 4.3Å; I507-V509 HydrophobicContact CG2-CG2 4.07Å; I507-I528 HydrophobicContact CB-CD1 4.33Å; I507-I528 HydrophobicContact CD1-CD1 4.04Å; I507-I528 HydrophobicContact CG2-CD1 4.06Å; I507-V532 HydrophobicContact CD1-CG1 4.19Å; I507-V532 HydrophobicContact CD1-CG2 4.43Å
508	L	98.8	Very high	96.8	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	105.6	178.4	178.3	65	0	0	0	109.2	L420 F454 L456 A475 Q476 F478 L547 P572	L420-L508 HydrophobicContact CD2-CD1 3.99Å; L420-L508 HydrophobicContact CD2-CD2 3.73Å; L420-L508 HydrophobicContact CD2-CG 4.46Å; F454-L508 HydrophobicContact CB-CD1 4.03Å; F454-L508 HydrophobicContact CD1-CD1 4.46Å; L456-L508 HydrophobicContact CB-CD1 4.15Å; L456-L508 HydrophobicContact CD1-CB 4.13Å; A475-L508 CarbonylContact C-O 3.6Å; A475-L508 WeakPolarHBondContact CA-O 3.46Å; Q476-L508 PolarHBondContact N-O 2.68Å; Q476-L508 PolarHBondContact O-N 2.72Å; F478-L508 HydrophobicContact CE2-CB 4.05Å; L508-L547 HydrophobicContact CD1-CD1 3.61Å; L508-P572 HydrophobicContact CD2-CB 4.01Å; L508-P572 HydrophobicContact CD2-CG 4.03Å
509	V	98.6	Very high	96.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134.2	-179.5	-163.1	0	0	0	0	110.6	F454 V455 Y457 A471 H472 M474 A475 I507 I528	F454-V509 CarbonylContact C-O 3.48Å; F454-V509 VanDerWaalsContact CA-O 3.24Å; F454-V509 WeakPolarHBondContact CA-O 3.24Å; F454-V509 WeakPolarHBondContact CB-O 3.47Å; V455-V509 HydrophobicContact CG1-CB 3.91Å; V455-V509 HydrophobicContact CG1-CG2 4.36Å; V455-V509 PolarHBondContact N-O 2.84Å; V455-V509 PolarHBondContact O-N 2.94Å; Y457-V509 HydrophobicContact CD2-CG2 3.92Å; Y457-V509 HydrophobicContact CE2-CG2 3.73Å; A471-V509 HydrophobicContact CB-CG1 4.46Å; H472-V509 WeakPolarHBondContact O-CG1 3.41Å; M474-V509 WeakPolarHBondContact O-CA 3.33Å; A475-V509 HydrophobicContact CB-CB 4.35Å; A475-V509 HydrophobicContact CB-CG1 4.4Å; A475-V509 HydrophobicContact CB-CG2 3.89Å; I507-V509 HydrophobicContact CG2-CG2 4.07Å; V509-I528 HydrophobicContact CG2-CG1 4.08Å
510	E	98.3	Very high	96.7	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.009	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130.4	170.7	-176.4	-178.2	175.7	0	0	110.9	F454 D473 M474 Q512 Y597 R609 K638	F454-E510 HydrophobicContact CD1-CB 3.59Å; F454-E510 HydrophobicContact CD1-CG 3.85Å; F454-E510 HydrophobicContact CE1-CB 3.5Å; F454-E510 VanDerWaalsContact CE1-CB 3.5Å; F454-E510 HydrophobicContact CE1-CG 3.41Å; F454-E510 VanDerWaalsContact CE1-CG 3.41Å; F454-E510 HydrophobicContact CZ-CB 4.45Å; F454-E510 HydrophobicContact CZ-CG 3.89Å; D473-E510 PolarHBondContact N-O 3.3Å; D473-E510 VanDerWaalsContact N-O 3.13Å; M474-E510 PolarHBondContact O-N 3.33Å; E510-Q512 HydrophobicContact CG-CG 4.08Å; E510-Q512 PolarHBondContact O-N 2.83Å; E510-Y597 PolarHBondContact OE1-OH 3Å; E510-Y597 PolarHBondContact OE2-OH 3.45Å; E510-R609 IonicContact OE1-CZ 2.72Å; E510-R609 IonicContact OE1-NE 3.71Å; E510-R609 IonicContact OE1-NH1 3.09Å; E510-R609 PolarHBondContact OE1-NH1 2.86Å; E510-R609 IonicContact OE1-NH2 2.66Å; E510-R609 PolarHBondContact OE1-NH2 3.13Å; E510-K638 WeakPolarHBondContact OE2-CE 3.4Å; E510-K638 IonicContact OE2-NZ 2.81Å; E510-K638 PolarHBondContact OE2-NZ 3.39Å
511	N	97.9	Very high	97	Very high	5 Å²	5	34 Å²	34	3%	0.027	16%	0.162	C	C	.	.			trans	-76.1	112.9	160.1	175.3	2.9	0	0	0	108.7	M439 S451 G453 G513 R514 K526 R609	M439-N511 HydrophobicContact CE-CB 3.86Å; M439-N511 HydrophobicContact SD-CB 3.97Å; S451-N511 PolarHBondContact O-ND2 3.48Å; G453-N511 PolarHBondContact O-N 2.98Å; G453-N511 VanDerWaalsContact O-N 3.16Å; N511-G513 PolarHBondContact O-N 2.64Å; N511-G513 WeakPolarHBondContact OD1-CA 3.17Å; N511-G513 PolarHBondContact OD1-N 3.13Å; N511-R514 PolarHBondContact ND2-NH1 2.95Å; N511-K526 HydrophobicContact CB-CB 4.18Å; N511-K526 HydrophobicContact CB-CG 4.16Å; N511-R609 PolarHBondContact O-NH2 2.92Å
512	Q	97.3	Very high	97.1	Very high	14 Å²	14	28.7 Å²	28.7	7%	0.065	13%	0.133	C	C	.	.			trans	-86.4	8.3	-179.1	-65.9	-166.3	-35.3	0	0	114.3	N351 D473 E510 Y597	N351-Q512 PolarHBondContact ND2-O 3.2Å; D473-Q512 HydrophobicContact CB-CB 3.95Å; D473-Q512 HydrophobicContact CB-CG 3.99Å; D473-Q512 PolarHBondContact OD2-N 2.88Å; E510-Q512 HydrophobicContact CG-CG 4.08Å; E510-Q512 PolarHBondContact O-N 2.83Å; Q512-Y597 PolarHBondContact NE2-OH 2.93Å
513	G	97.8	Very high	97	Very high	2 Å²	2	30 Å²	30	2%	0.021	14%	0.135	C	C	.	.			trans	101.9	129.8	-173.1	0	0	0	0	0	109.6	N351 A353 H359 N511	N351-G513 WeakPolarHBondContact O-CA 3.45Å; A353-G513 WeakPolarHBondContact CB-O 3.33Å; H359-G513 PolarHBondContact CE1-O 3.05Å; H359-G513 PolarHBondContact NE2-O 3.26Å; H359-G513 VanDerWaalsContact NE2-O 3.17Å; N511-G513 PolarHBondContact O-N 2.64Å; N511-G513 WeakPolarHBondContact OD1-CA 3.17Å; N511-G513 PolarHBondContact OD1-N 3.13Å
514	R	98.5	Very high	96.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.121	C	C	.	.			trans	-67.9	143.8	177.9	-67.8	-178.8	-172.5	77.6	4.7	111.1	D170 L171 G352 A353 E440 S451 N511 N516 E524 K526	D170-R514 IonicContact OD1-CZ 2.75Å; D170-R514 IonicContact OD1-NH1 3.43Å; D170-R514 PolarHBondContact OD1-NH1 3.26Å; D170-R514 WeakPolarHBondContact OD2-CB 3.3Å; D170-R514 WeakPolarHBondContact OD2-CG 3.27Å; D170-R514 PolarHBondContact OD2-N 3.45Å; D170-R514 IonicContact OD2-NH1 3.87Å; D170-R514 PolarHBondContact OD2-NH1 3.34Å; L171-R514 HydrophobicContact CB-CB 3.9Å; L171-R514 HydrophobicContact CD1-CB 4.01Å; G352-R514 WeakPolarHBondContact CA-O 3.48Å; A353-R514 PolarHBondContact N-O 2.96Å; E440-R514 IonicContact OE1-CZ 4Å; E440-R514 IonicContact OE1-NE 3.86Å; E440-R514 PolarHBondContact OE1-NE 2.96Å; E440-R514 IonicContact OE1-NH2 2.78Å; E440-R514 PolarHBondContact OE1-NH2 3.46Å; S451-R514 VanDerWaalsContact O-CZ 3.32Å; S451-R514 PolarHBondContact O-NH1 2.89Å; S451-R514 PolarHBondContact O-NH2 3.09Å; N511-R514 PolarHBondContact ND2-NH1 2.95Å; R514-N516 PolarHBondContact O-N 2.92Å; R514-E524 WeakPolarHBondContact CA-OE2 3.18Å; R514-E524 HydrophobicContact CB-CB 4.01Å; R514-E524 HydrophobicContact CB-CG 4.4Å; R514-E524 WeakPolarHBondContact CD-O 3.33Å; R514-E524 HydrophobicContact CG-CB 3.97Å; R514-E524 PolarHBondContact NE-O 3.18Å; R514-K526 HydrophobicContact CG-CD 4.48Å; R514-K526 VanDerWaalsContact CG-CE 3.44Å; R514-K526 HydrophobicContact CG-CG 4.19Å
515	V	98.1	Very high	96.9	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.012	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-55.2	133.3	172.1	175	0	0	0	0	109.2	A353 N355 F517 Q520 I521 E524	A353-V515 HydrophobicContact CB-CG2 4.31Å; A353-V515 WeakPolarHBondContact O-CA 3.31Å; N355-V515 HydrophobicContact CB-CG2 3.87Å; V515-F517 VanDerWaalsContact CG1-O 3.29Å; V515-F517 WeakPolarHBondContact CG1-O 3.33Å; V515-Q520 HydrophobicContact CB-CG 4.15Å; V515-Q520 HydrophobicContact CG1-CB 4.01Å; V515-Q520 HydrophobicContact CG1-CG 4.02Å; V515-Q520 HydrophobicContact CG2-CG 4.09Å; V515-I521 WeakPolarHBondContact O-CG2 3.48Å; V515-E524 VanDerWaalsContact CB-CD 3.47Å; V515-E524 HydrophobicContact CB-CG 3.95Å; V515-E524 WeakPolarHBondContact CB-OE1 3.42Å; V515-E524 WeakPolarHBondContact CG2-OE1 3.5Å; V515-E524 PolarHBondContact N-OE2 2.85Å
516	N	97.6	Very high	96.9	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.016	11%	0.107	C	C	.	.			trans	-109.6	-1.6	-170.2	66.4	63.6	0	0	0	114.3	Y164 M169 A353 I362 R514	Y164-N516 VanDerWaalsContact CE2-O 3.23Å; Y164-N516 WeakPolarHBondContact CE2-O 3.45Å; Y164-N516 PolarHBondContact OH-O 3.17Å; M169-N516 WeakPolarHBondContact O-CB 3.49Å; A353-N516 PolarHBondContact N-ND2 3.05Å; A353-N516 PolarHBondContact O-N 2.73Å; A353-N516 VanDerWaalsContact O-N 3.16Å; A353-N516 PolarHBondContact O-ND2 2.89Å; I362-N516 WeakPolarHBondContact CD1-ND2 3.46Å; R514-N516 PolarHBondContact O-N 2.92Å
517	F	95.1	Very high	96.8	Very high	69 Å²	69	21.3 Å²	21.3	30%	0.303	10%	0.103	S	C	.	.	S	Bend	trans	-142.2	156.2	-175.7	-174.9	-98.2	0	0	0	111.4	V515	V515-F517 VanDerWaalsContact CG1-O 3.29Å; V515-F517 WeakPolarHBondContact CG1-O 3.33Å
518	S	93.1	Very high	96.8	Very high	40 Å²	40	21.4 Å²	21.4	28%	0.28	10%	0.103	S	C	.	.	S	Bend	trans	75.1	-174.1	-179.6	86.6	0	0	0	0	115.8	Q520	S518-Q520 PolarHBondContact O-N 2.76Å; S518-Q520 WeakPolarHBondContact OG-CB 3.31Å; S518-Q520 PolarHBondContact OG-N 2.83Å; S518-Q520 VanDerWaalsContact OG-N 3.14Å
519	W	94.3	Very high	96.6	Very high	104 Å²	104	23.8 Å²	23.8	39%	0.394	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-67.2	-16.9	173.4	-172.8	-106	0	0	0	113	L185 F231 K233 I521 Q522	L185-W519 HydrophobicContact CD2-CH2 4.29Å; L185-W519 HydrophobicContact CD2-CZ2 4.4Å; F231-W519 HydrophobicContact CE1-CE3 4.11Å; F231-W519 AromaticContact CE1-CZ3 3.91Å; F231-W519 HydrophobicContact CE1-CZ3 3.91Å; F231-W519 AromaticContact CE2-CE3 3.63Å; F231-W519 HydrophobicContact CE2-CE3 3.63Å; F231-W519 HydrophobicContact CE2-CZ3 4.17Å; F231-W519 AromaticContact CZ-CE3 3.38Å; F231-W519 HydrophobicContact CZ-CE3 3.38Å; F231-W519 AromaticContact CZ-CZ3 3.43Å; F231-W519 HydrophobicContact CZ-CZ3 3.43Å; F231-W519 VanDerWaalsContact CZ-CZ3 3.43Å; K233-W519 HydrophobicContact CB-CE3 4.25Å; K233-W519 HydrophobicContact CB-CH2 4.35Å; K233-W519 HydrophobicContact CB-CZ3 3.67Å; K233-W519 HydrophobicContact CD-CE3 4.33Å; K233-W519 HydrophobicContact CD-CZ3 4.49Å; K233-W519 HydrophobicContact CG-CD2 4.38Å; K233-W519 HydrophobicContact CG-CE3 3.44Å; K233-W519 VanDerWaalsContact CG-CE3 3.44Å; K233-W519 HydrophobicContact CG-CH2 4.29Å; K233-W519 HydrophobicContact CG-CZ3 3.4Å; W519-I521 PolarHBondContact O-N 2.91Å; W519-I521 VanDerWaalsContact O-N 3.12Å; W519-Q522 HydrophobicContact CD2-CG 4Å; W519-Q522 HydrophobicContact CE3-CG 4.16Å; W519-Q522 HydrophobicContact CH2-CG 4.29Å; W519-Q522 HydrophobicContact CZ2-CG 4.09Å; W519-Q522 HydrophobicContact CZ3-CG 4.29Å; W519-Q522 WeakPolarHBondContact O-CG 3.46Å; W519-Q522 PolarHBondContact O-N 2.78Å
520	Q	93.8	Very high	96.2	Very high	54 Å²	54	25.2 Å²	25.2	25%	0.252	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-59.3	-26.2	-178.6	-175.3	60.4	26.6	0	0	113.1	N355 V515 S518 Q522 N523 E524	N355-Q520 HydrophobicContact CB-CG 4.11Å; V515-Q520 HydrophobicContact CB-CG 4.15Å; V515-Q520 HydrophobicContact CG1-CB 4.01Å; V515-Q520 HydrophobicContact CG1-CG 4.02Å; V515-Q520 HydrophobicContact CG2-CG 4.09Å; S518-Q520 PolarHBondContact O-N 2.76Å; S518-Q520 WeakPolarHBondContact OG-CB 3.31Å; S518-Q520 PolarHBondContact OG-N 2.83Å; S518-Q520 VanDerWaalsContact OG-N 3.14Å; Q520-Q522 PolarHBondContact O-N 3.27Å; Q520-N523 PolarHBondContact O-N 2.97Å; Q520-E524 PolarHBondContact NE2-OE1 3.15Å
521	I	96.6	Very high	96	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-55.8	-19.4	-179.9	70.9	176.1	0	0	0	114.2	Y164 L171 L186 R187 F231 V515 W519 N523	Y164-I521 HydrophobicContact CE2-CD1 4.38Å; L171-I521 HydrophobicContact CD1-CB 4.15Å; L186-I521 HydrophobicContact CB-CD1 4.25Å; L186-I521 HydrophobicContact CD1-CB 4.49Å; L186-I521 HydrophobicContact CD1-CD1 4.32Å; L186-I521 HydrophobicContact CD1-CG1 4.19Å; L186-I521 WeakPolarHBondContact CD1-O 3.49Å; R187-I521 HydrophobicContact CG-CD1 4.25Å; F231-I521 HydrophobicContact CE2-CD1 4.03Å; F231-I521 HydrophobicContact CE2-CG1 4.33Å; V515-I521 WeakPolarHBondContact O-CG2 3.48Å; W519-I521 PolarHBondContact O-N 2.91Å; W519-I521 VanDerWaalsContact O-N 3.12Å; I521-N523 VanDerWaalsContact C-N 3.25Å; I521-N523 PolarHBondContact O-N 3.02Å
522	Q	96.3	Very high	96	Very high	16 Å²	16	27.8 Å²	27.8	8%	0.075	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-68.3	-24.6	177.9	-54.5	-58.2	-30.8	0	0	112.8	L186 W519 Q520	L186-Q522 PolarHBondContact O-NE2 3.3Å; W519-Q522 HydrophobicContact CD2-CG 4Å; W519-Q522 HydrophobicContact CE3-CG 4.16Å; W519-Q522 HydrophobicContact CH2-CG 4.29Å; W519-Q522 HydrophobicContact CZ2-CG 4.09Å; W519-Q522 HydrophobicContact CZ3-CG 4.29Å; W519-Q522 WeakPolarHBondContact O-CG 3.46Å; W519-Q522 PolarHBondContact O-N 2.78Å; Q520-Q522 PolarHBondContact O-N 3.27Å
523	N	93.4	Very high	96	Very high	101 Å²	101	27.9 Å²	27.9	54%	0.54	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-117.2	35.4	-168.1	-59	-43.3	0	0	0	112.6	Q520 I521	Q520-N523 PolarHBondContact O-N 2.97Å; I521-N523 VanDerWaalsContact C-N 3.25Å; I521-N523 PolarHBondContact O-N 3.02Å
524	E	96.3	Very high	95.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.155	C	C	.	.			trans	-104.8	31.7	-172.4	-68	-66.3	134.7	0	0	113.3	L171 L179 R514 V515 Q520 K526	L171-E524 HydrophobicContact CD1-CB 3.92Å; L171-E524 HydrophobicContact CD1-CG 4.3Å; L179-E524 HydrophobicContact CD1-CB 4.07Å; L179-E524 WeakPolarHBondContact CD1-O 3.18Å; R514-E524 WeakPolarHBondContact CA-OE2 3.18Å; R514-E524 HydrophobicContact CB-CB 4.01Å; R514-E524 HydrophobicContact CB-CG 4.4Å; R514-E524 WeakPolarHBondContact CD-O 3.33Å; R514-E524 HydrophobicContact CG-CB 3.97Å; R514-E524 PolarHBondContact NE-O 3.18Å; V515-E524 VanDerWaalsContact CB-CD 3.47Å; V515-E524 HydrophobicContact CB-CG 3.95Å; V515-E524 WeakPolarHBondContact CB-OE1 3.42Å; V515-E524 WeakPolarHBondContact CG2-OE1 3.5Å; V515-E524 PolarHBondContact N-OE2 2.85Å; Q520-E524 PolarHBondContact NE2-OE1 3.15Å; E524-K526 WeakPolarHBondContact OE2-CE 3.32Å; E524-K526 IonicContact OE2-NZ 2.79Å; E524-K526 PolarHBondContact OE2-NZ 3.27Å
525	Q	97.2	Very high	95.8	Very high	34 Å²	34	32.6 Å²	32.6	16%	0.159	18%	0.178	C	C	.	.			trans	-64.7	138.9	166.5	-71.2	179.2	-39.7	0	0	109.5	L179 N438 E440 T529	L179-Q525 HydrophobicContact CB-CG 4.02Å; L179-Q525 WeakPolarHBondContact O-CG 3.38Å; L179-Q525 PolarHBondContact O-NE2 3Å; N438-Q525 PolarHBondContact ND2-NE2 3.36Å; N438-Q525 PolarHBondContact ND2-OE1 3.13Å; E440-Q525 WeakPolarHBondContact OE2-CA 3.44Å; Q525-T529 HydrophobicContact CB-CG2 3.93Å
526	K	97.8	Very high	95.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.208	C	C	.	.			trans	-116.6	162	-171.8	-58.9	-65.4	174.4	178.7	0	112.3	H359 N438 M439 E440 H472 D473 N511 R514 E524	H359-K526 PolarHBondContact CE1-NZ 3.06Å; N438-K526 WeakPolarHBondContact CB-O 3.49Å; M439-K526 HydrophobicContact CB-CB 4.34Å; M439-K526 WeakPolarHBondContact CB-O 3.41Å; M439-K526 HydrophobicContact CG-CB 4.26Å; M439-K526 WeakPolarHBondContact CG-O 3.45Å; M439-K526 PolarHBondContact N-O 2.92Å; M439-K526 HydrophobicContact SD-CB 3.45Å; M439-K526 WeakPolarHBondContact SD-CB 3.34Å; E440-K526 PolarHBondContact OE1-N 3.2Å; E440-K526 VanDerWaalsContact OE1-N 3.07Å; E440-K526 PolarHBondContact OE2-N 3.24Å; H472-K526 HydrophobicContact CB-CD 4.28Å; D473-K526 IonicContact OD1-NZ 3.29Å; D473-K526 PolarHBondContact OD1-NZ 2.87Å; D473-K526 IonicContact OD2-NZ 2.88Å; D473-K526 PolarHBondContact OD2-NZ 2.75Å; N511-K526 HydrophobicContact CB-CB 4.18Å; N511-K526 HydrophobicContact CB-CG 4.16Å; R514-K526 HydrophobicContact CG-CD 4.48Å; R514-K526 VanDerWaalsContact CG-CE 3.44Å; R514-K526 HydrophobicContact CG-CG 4.19Å; E524-K526 WeakPolarHBondContact OE2-CE 3.32Å; E524-K526 IonicContact OE2-NZ 2.79Å; E524-K526 PolarHBondContact OE2-NZ 3.27Å
527	G	97.8	Very high	95.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.6	-142.4	-171.4	0	0	0	0	0	111.2	H472	H472-G527 PolarHBondContact N-O 2.88Å; H472-G527 PolarHBondContact O-N 3.42Å
528	I	97.6	Very high	95.5	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	117.6	173.2	-63	177.2	0	0	0	108.8	P436 N438 Y457 H470 I507 V509 G530 V532	P436-I528 HydrophobicContact CB-CB 4.08Å; P436-I528 HydrophobicContact CB-CG2 3.74Å; P436-I528 HydrophobicContact CG-CG2 4.23Å; N438-I528 PolarHBondContact N-O 2.93Å; Y457-I528 HydrophobicContact CD1-CD1 4.08Å; Y457-I528 HydrophobicContact CD2-CD1 3.43Å; Y457-I528 VanDerWaalsContact CD2-CD1 3.43Å; Y457-I528 HydrophobicContact CD2-CG1 3.74Å; Y457-I528 HydrophobicContact CE1-CB 4.24Å; Y457-I528 HydrophobicContact CE1-CD1 4.41Å; Y457-I528 HydrophobicContact CE1-CG1 4.47Å; Y457-I528 HydrophobicContact CE2-CB 3.99Å; Y457-I528 HydrophobicContact CE2-CD1 3.8Å; Y457-I528 HydrophobicContact CE2-CG1 3.54Å; Y457-I528 HydrophobicContact CG-CD1 3.59Å; Y457-I528 HydrophobicContact CG-CG1 4.28Å; Y457-I528 PolarHBondContact OH-N 2.85Å; H470-I528 WeakPolarHBondContact O-CA 3.19Å; I507-I528 HydrophobicContact CB-CD1 4.33Å; I507-I528 HydrophobicContact CD1-CD1 4.04Å; I507-I528 HydrophobicContact CG2-CD1 4.06Å; V509-I528 HydrophobicContact CG2-CG1 4.08Å; I528-G530 VanDerWaalsContact CG2-O 3.26Å; I528-G530 WeakPolarHBondContact CG2-O 3.16Å; I528-V532 HydrophobicContact CD1-CG2 3.8Å; I528-V532 HydrophobicContact CG2-CG2 3.91Å
529	T	94.1	Very high	95.7	Very high	53 Å²	53	40.7 Å²	40.7	33%	0.325	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-3.3	-173.3	54	0	0	0	0	114.1	N438 H470 H472 Q525	N438-T529 HydrophobicContact CB-CG2 4.41Å; H470-T529 PolarHBondContact O-N 2.8Å; H470-T529 VanDerWaalsContact O-N 3.11Å; H470-T529 PolarHBondContact O-OG1 2.74Å; H472-T529 PolarHBondContact CD2-OG1 2.93Å; Q525-T529 HydrophobicContact CB-CG2 3.93Å
530	G	91.1	Very high	95.7	Very high	29 Å²	29	40 Å²	40	30%	0.299	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	-165.5	179.4	0	0	0	0	0	113.1	I528	I528-G530 VanDerWaalsContact CG2-O 3.26Å; I528-G530 WeakPolarHBondContact CG2-O 3.16Å
531	S	93.8	Very high	95.9	Very high	62 Å²	62	39.4 Å²	39.4	43%	0.434	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	151.2	174.8	55.6	0	0	0	0	111.7
532	V	97.4	Very high	95.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135	165.9	179.1	0	0	0	0	107.5	P436 L467 C468 A469 I507 I528 L539 F542	P436-V532 HydrophobicContact CG-CB 4.33Å; P436-V532 HydrophobicContact CG-CG2 3.7Å; L467-V532 HydrophobicContact CD1-CG1 3.61Å; C468-V532 WeakPolarHBondContact O-CA 3.48Å; A469-V532 HydrophobicContact CB-CB 4.46Å; A469-V532 HydrophobicContact CB-CG1 4.27Å; A469-V532 HydrophobicContact CB-CG2 3.88Å; I507-V532 HydrophobicContact CD1-CG1 4.19Å; I507-V532 HydrophobicContact CD1-CG2 4.43Å; I528-V532 HydrophobicContact CD1-CG2 3.8Å; I528-V532 HydrophobicContact CG2-CG2 3.91Å; V532-L539 HydrophobicContact CG1-CB 4.49Å; V532-L539 HydrophobicContact CG1-CD1 3.92Å; V532-L539 HydrophobicContact CG1-CG 4.39Å; V532-L539 PolarHBondContact O-N 2.73Å; V532-F542 HydrophobicContact CB-CE2 4.47Å; V532-F542 HydrophobicContact CB-CZ 3.83Å; V532-F542 HydrophobicContact CG1-CZ 4.17Å; V532-F542 HydrophobicContact CG2-CZ 4.03Å
533	S	97.4	Very high	96.1	Very high	16 Å²	16	40.3 Å²	40.3	11%	0.112	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	153.3	179.9	65	0	0	0	0	113	L467 C468 S537	L467-S533 CarbonylContact C-O 3.59Å; L467-S533 VanDerWaalsContact CA-O 3.3Å; L467-S533 WeakPolarHBondContact CA-O 3.36Å; C468-S533 PolarHBondContact N-O 2.82Å; C468-S533 PolarHBondContact O-N 3.01Å; S533-S537 CarbonylContact C-O 3.57Å; S533-S537 WeakPolarHBondContact CA-O 3.42Å; S533-S537 VanDerWaalsContact CB-O 3.24Å; S533-S537 WeakPolarHBondContact CB-O 3.35Å
534	I	97.6	Very high	96.3	Very high	8 Å²	8	35.5 Å²	35.5	4%	0.041	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.3	167	-63.7	175.9	0	0	0	107.8	I461 R466 L467 I496 N536 S537 L539	I461-I534 HydrophobicContact CB-CD1 4.37Å; I461-I534 HydrophobicContact CD1-CD1 3.92Å; I461-I534 HydrophobicContact CG2-CD1 4.05Å; R466-I534 CarbonylContact O-C 3.53Å; R466-I534 VanDerWaalsContact O-CA 3.32Å; R466-I534 WeakPolarHBondContact O-CA 3.35Å; L467-I534 HydrophobicContact CD1-CG1 4.25Å; I496-I534 HydrophobicContact CD1-CD1 3.75Å; I496-I534 HydrophobicContact CD1-CG1 4.15Å; I534-N536 PolarHBondContact O-N 2.65Å; I534-S537 PolarHBondContact N-O 2.6Å; I534-S537 WeakPolarHBondContact O-CB 3.37Å; I534-S537 PolarHBondContact O-N 2.91Å; I534-L539 HydrophobicContact CD1-CD1 3.91Å; I534-L539 HydrophobicContact CD1-CD2 4.1Å; I534-L539 HydrophobicContact CD1-CG 4.45Å; I534-L539 HydrophobicContact CG1-CD1 4.01Å; I534-L539 HydrophobicContact CG1-CD2 4.2Å; I534-L539 HydrophobicContact CG1-CG 4.28Å
535	N	95.5	Very high	96.4	Very high	92 Å²	92	37.1 Å²	37.1	49%	0.492	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	41.5	-176.7	-59.8	-27.8	0	0	0	112.5	G465 R466 S537	G465-N535 WeakPolarHBondContact CA-OD1 3.46Å; R466-N535 PolarHBondContact N-OD1 2.91Å; R466-N535 PolarHBondContact O-N 2.85Å; N535-S537 PolarHBondContact O-N 2.93Å; N535-S537 VanDerWaalsContact O-N 3.16Å
536	N	93.3	Very high	96.4	Very high	121 Å²	121	37 Å²	37	65%	0.647	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	7.8	-176	-48.4	-29.6	0	0	0	115.2	R466 I534	R466-N536 PolarHBondContact NH2-OD1 2.95Å; I534-N536 PolarHBondContact O-N 2.65Å
537	S	95.4	Very high	96.4	Very high	80 Å²	80	37 Å²	37	56%	0.559	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	121.3	170.9	-58.6	0	0	0	0	109.4	S533 I534 N535 L539	S533-S537 CarbonylContact C-O 3.57Å; S533-S537 WeakPolarHBondContact CA-O 3.42Å; S533-S537 VanDerWaalsContact CB-O 3.24Å; S533-S537 WeakPolarHBondContact CB-O 3.35Å; I534-S537 PolarHBondContact N-O 2.6Å; I534-S537 WeakPolarHBondContact O-CB 3.37Å; I534-S537 PolarHBondContact O-N 2.91Å; N535-S537 PolarHBondContact O-N 2.93Å; N535-S537 VanDerWaalsContact O-N 3.16Å; S537-L539 PolarHBondContact O-N 2.76Å
538	S	95.9	Very high	96.2	Very high	58 Å²	58	38.4 Å²	38.4	41%	0.406	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	135.4	-179.3	-167.4	0	0	0	0	111
539	L	96.4	Very high	96.1	Very high	26 Å²	26	38.7 Å²	38.7	14%	0.136	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-87.8	140.1	168.5	-61	-171.1	0	0	0	109.3	I461 L505 V532 I534 S537 F542	I461-L539 HydrophobicContact CG2-CD1 4Å; I461-L539 HydrophobicContact CG2-CD2 4.46Å; L505-L539 HydrophobicContact CD2-CD1 3.74Å; V532-L539 HydrophobicContact CG1-CB 4.49Å; V532-L539 HydrophobicContact CG1-CD1 3.92Å; V532-L539 HydrophobicContact CG1-CG 4.39Å; V532-L539 PolarHBondContact O-N 2.73Å; I534-L539 HydrophobicContact CD1-CD1 3.91Å; I534-L539 HydrophobicContact CD1-CD2 4.1Å; I534-L539 HydrophobicContact CD1-CG 4.45Å; I534-L539 HydrophobicContact CG1-CD1 4.01Å; I534-L539 HydrophobicContact CG1-CD2 4.2Å; I534-L539 HydrophobicContact CG1-CG 4.28Å; S537-L539 PolarHBondContact O-N 2.76Å; L539-F542 HydrophobicContact CB-CE2 4.08Å; L539-F542 HydrophobicContact CB-CZ 3.86Å; L539-F542 WeakPolarHBondContact O-CE2 3.49Å
540	E	95.7	Very high	96	Very high	90 Å²	90	40.1 Å²	40.1	42%	0.421	24%	0.241	S	C	.	.			trans	-133.8	157.4	-177.7	-57.3	-177.2	148.2	0	0	110.3	H434 Q435 K459	H434-E540 IonicContact CE1-OE1 2.69Å; H434-E540 PolarHBondContact CE1-OE1 3.19Å; H434-E540 IonicContact CE1-OE2 3.47Å; H434-E540 PolarHBondContact CE1-OE2 2.81Å; H434-E540 IonicContact ND1-OE1 2.71Å; H434-E540 VanDerWaalsContact NE2-CD 3.33Å; H434-E540 IonicContact NE2-OE1 3.14Å; H434-E540 IonicContact NE2-OE2 2.81Å; H434-E540 PolarHBondContact NE2-OE2 2.92Å; H434-E540 VanDerWaalsContact NE2-OE2 3.09Å; H434-E540 CarbonylContact O-C 3.45Å; H434-E540 WeakPolarHBondContact O-CA 3.36Å; H434-E540 WeakPolarHBondContact O-CB 3.43Å; Q435-E540 PolarHBondContact NE2-OE1 2.69Å; K459-E540 VanDerWaalsContact CD-O 3.29Å; K459-E540 WeakPolarHBondContact CD-O 3.28Å; K459-E540 WeakPolarHBondContact CE-O 3.37Å
541	G	96.8	Very high	96.1	Very high	40 Å²	40	42.4 Å²	42.4	41%	0.412	25%	0.245	S	C	.	.			trans	79	60.9	174.9	0	0	0	0	0	114	S433 H434 K459	S433-G541 CarbonylContact O-C 3.59Å; S433-G541 WeakPolarHBondContact O-CA 3.11Å; H434-G541 PolarHBondContact O-N 2.64Å; K459-G541 WeakPolarHBondContact CD-O 3.42Å
542	F	98.3	Very high	96	Very high	3 Å²	3	42.6 Å²	42.6	1%	0.013	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	144.5	178.4	-73.1	-90.6	0	0	0	112.7	R432 S433 P436 K459 V532 L539 I544	R432-F542 WeakPolarHBondContact CA-O 3.39Å; S433-F542 PolarHBondContact N-O 2.97Å; S433-F542 PolarHBondContact O-N 2.92Å; P436-F542 HydrophobicContact CG-CD2 3.91Å; P436-F542 HydrophobicContact CG-CE2 3.64Å; P436-F542 HydrophobicContact CG-CZ 4.14Å; K459-F542 HydrophobicContact CB-CD1 3.92Å; K459-F542 HydrophobicContact CB-CE1 3.79Å; K459-F542 HydrophobicContact CB-CZ 4.39Å; V532-F542 HydrophobicContact CB-CE2 4.47Å; V532-F542 HydrophobicContact CB-CZ 3.83Å; V532-F542 HydrophobicContact CG1-CZ 4.17Å; V532-F542 HydrophobicContact CG2-CZ 4.03Å; L539-F542 HydrophobicContact CB-CE2 4.08Å; L539-F542 HydrophobicContact CB-CZ 3.86Å; L539-F542 WeakPolarHBondContact O-CE2 3.49Å; F542-I544 HydrophobicContact CB-CD1 4.48Å; F542-I544 HydrophobicContact CB-CG1 4.06Å
543	T	98.6	Very high	95.8	Very high	32 Å²	32	42.8 Å²	42.8	20%	0.196	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.6	162	-58.1	0	0	0	0	107.9	P430 E458 Y545	P430-T543 HydrophobicContact CB-CG2 3.49Å; P430-T543 VanDerWaalsContact CB-CG2 3.49Å; P430-T543 HydrophobicContact CG-CG2 3.6Å; E458-T543 PolarHBondContact N-O 2.86Å; E458-T543 PolarHBondContact O-N 2.7Å; T543-Y545 HydrophobicContact CG2-CD2 4.37Å; T543-Y545 HydrophobicContact CG2-CE2 3.57Å
544	I	98.7	Very high	95.6	Very high	1 Å²	1	42 Å²	42	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119.9	-169.6	-48.3	172.4	0	0	0	109.8	P430 V431 V437 L442 V455 L456 Y457 F542	P430-I544 CarbonylContact C-O 3.44Å; P430-I544 WeakPolarHBondContact CA-O 3.04Å; P430-I544 WeakPolarHBondContact CB-O 3.34Å; V431-I544 HydrophobicContact CB-CB 4.33Å; V431-I544 PolarHBondContact N-O 3.36Å; V431-I544 PolarHBondContact O-N 2.8Å; V437-I544 HydrophobicContact CB-CD1 4.12Å; V437-I544 HydrophobicContact CG2-CD1 4.31Å; L442-I544 HydrophobicContact CD2-CB 4.45Å; L442-I544 HydrophobicContact CD2-CD1 4.3Å; L442-I544 HydrophobicContact CD2-CG2 3.92Å; V455-I544 HydrophobicContact CG2-CG2 3.42Å; V455-I544 VanDerWaalsContact CG2-CG2 3.42Å; L456-I544 CarbonylContact O-C 3.49Å; L456-I544 VanDerWaalsContact O-CA 3.31Å; L456-I544 WeakPolarHBondContact O-CA 3.2Å; Y457-I544 HydrophobicContact CD1-CB 4.5Å; Y457-I544 HydrophobicContact CD1-CD1 3.93Å; Y457-I544 HydrophobicContact CD1-CG1 3.78Å; Y457-I544 HydrophobicContact CD1-CG2 4.01Å; Y457-I544 HydrophobicContact CE1-CD1 3.86Å; Y457-I544 HydrophobicContact CE1-CG1 4.14Å; Y457-I544 HydrophobicContact CE1-CG2 3.93Å; F542-I544 HydrophobicContact CB-CD1 4.48Å; F542-I544 HydrophobicContact CB-CG1 4.06Å
545	Y	98.4	Very high	95.3	Very high	33 Å²	33	46.7 Å²	46.7	13%	0.129	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	126	179	-58.4	-99.7	0	0	0	110.6	L424 L427 P430 V455 L456 E458 T543	L424-Y545 HydrophobicContact CB-CD1 4.43Å; L424-Y545 HydrophobicContact CB-CE1 4.07Å; L424-Y545 HydrophobicContact CD1-CE2 4.33Å; L424-Y545 HydrophobicContact CD2-CD1 4.08Å; L424-Y545 HydrophobicContact CD2-CD2 4.48Å; L424-Y545 HydrophobicContact CD2-CE1 4.45Å; L424-Y545 HydrophobicContact CD2-CG 4.1Å; L427-Y545 HydrophobicContact CD1-CD1 4.19Å; P430-Y545 HydrophobicContact CB-CD1 3.78Å; P430-Y545 HydrophobicContact CB-CD2 4.38Å; P430-Y545 HydrophobicContact CB-CE1 3.67Å; P430-Y545 HydrophobicContact CB-CE2 4.27Å; P430-Y545 HydrophobicContact CB-CG 4.13Å; P430-Y545 HydrophobicContact CG-CD1 4.39Å; P430-Y545 HydrophobicContact CG-CE1 3.82Å; V455-Y545 WeakPolarHBondContact CA-O 3.48Å; L456-Y545 HydrophobicContact CD2-CD2 4Å; L456-Y545 HydrophobicContact CG-CD2 4.31Å; L456-Y545 PolarHBondContact N-O 2.78Å; L456-Y545 PolarHBondContact O-N 3.13Å; E458-Y545 HydrophobicContact CB-CE2 4.38Å; T543-Y545 HydrophobicContact CG2-CD2 4.37Å; T543-Y545 HydrophobicContact CG2-CE2 3.57Å
546	S	97.6	Very high	95.2	Very high	33 Å²	33	45.4 Å²	45.4	23%	0.231	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	125.4	174.1	-174.1	0	0	0	0	110.9	I444 Q450 E548	I444-S546 WeakPolarHBondContact CD1-OG 3.48Å; Q450-S546 PolarHBondContact NE2-OG 2.92Å; Q450-S546 PolarHBondContact OE1-OG 3.21Å; S546-E548 WeakPolarHBondContact OG-CG 3.45Å
547	L	97.4	Very high	95.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	66.4	179.9	-57.1	157.4	0	0	0	109.1	L420 L427 F454 L456 L508 M549 F553	L420-L547 HydrophobicContact CD1-CD1 4.17Å; L420-L547 HydrophobicContact CD1-CD2 3.83Å; L420-L547 HydrophobicContact CD2-CD1 4.42Å; L427-L547 HydrophobicContact CD1-CD2 3.52Å; L427-L547 HydrophobicContact CD2-CD2 4.49Å; F454-L547 HydrophobicContact CB-CB 3.9Å; F454-L547 HydrophobicContact CB-CD1 3.74Å; F454-L547 HydrophobicContact CB-CG 4.45Å; F454-L547 PolarHBondContact N-O 2.89Å; F454-L547 VanDerWaalsContact N-O 3.11Å; F454-L547 WeakPolarHBondContact O-CA 3.48Å; F454-L547 VanDerWaalsContact O-CB 3.31Å; F454-L547 WeakPolarHBondContact O-CB 3.25Å; F454-L547 PolarHBondContact O-N 2.89Å; L456-L547 HydrophobicContact CB-CD1 4.46Å; L508-L547 HydrophobicContact CD1-CD1 3.61Å; L547-M549 HydrophobicContact CB-CE 4.41Å; L547-M549 PolarHBondContact O-N 2.9Å; L547-F553 HydrophobicContact CD2-CE2 3.83Å; L547-F553 HydrophobicContact CD2-CZ 4.07Å
548	E	94.4	Very high	95.1	Very high	29 Å²	29	38.8 Å²	38.8	14%	0.136	21%	0.205	C	C	.	.			trans	-68.5	-20	-179.3	-55.9	-164.8	98.9	0	0	113.6	N445 Q450 S546 K550	N445-E548 PolarHBondContact ND2-OE1 3.05Å; N445-E548 PolarHBondContact OD1-OE2 3.22Å; Q450-E548 HydrophobicContact CG-CG 4.08Å; S546-E548 WeakPolarHBondContact OG-CG 3.45Å; E548-K550 HydrophobicContact CB-CD 4.24Å; E548-K550 HydrophobicContact CB-CG 4.05Å; E548-K550 PolarHBondContact O-N 3.28Å; E548-K550 VanDerWaalsContact O-N 3.09Å; E548-K550 WeakPolarHBondContact OE1-CE 3.36Å; E548-K550 IonicContact OE1-NZ 2.72Å; E548-K550 PolarHBondContact OE1-NZ 3.01Å; E548-K550 WeakPolarHBondContact OE2-CE 3.28Å; E548-K550 IonicContact OE2-NZ 2.85Å; E548-K550 PolarHBondContact OE2-NZ 2.89Å
549	M	95.1	Very high	94.9	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.03	22%	0.215	C	C	.	.			trans	50.8	35.1	-179.8	-57	-178.8	179.6	0	0	113.8	F349 F454 L547 F553 F554 F574 F601 F636	F349-M549 HydrophobicContact CE2-CB 4.18Å; F349-M549 HydrophobicContact CZ-CB 4.36Å; F349-M549 HydrophobicContact CZ-SD 4.16Å; F454-M549 HydrophobicContact CD2-CE 3.5Å; F454-M549 VanDerWaalsContact CD2-CE 3.5Å; F454-M549 HydrophobicContact CD2-SD 4.06Å; F454-M549 HydrophobicContact CE2-CE 3.71Å; F454-M549 HydrophobicContact CE2-SD 4Å; F454-M549 HydrophobicContact CG-CE 4.46Å; L547-M549 HydrophobicContact CB-CE 4.41Å; L547-M549 PolarHBondContact O-N 2.9Å; M549-F553 HydrophobicContact CG-CD1 4.36Å; M549-F553 HydrophobicContact CG-CE1 4.2Å; M549-F553 HydrophobicContact CG-CZ 4.41Å; M549-F554 HydrophobicContact CB-CE2 4.16Å; M549-F554 HydrophobicContact CB-CZ 4.24Å; M549-F554 WeakPolarHBondContact O-CE2 3.32Å; M549-F574 HydrophobicContact CE-CE1 4.15Å; M549-F574 HydrophobicContact CE-CZ 4.11Å; M549-F601 HydrophobicContact CB-CE1 3.97Å; M549-F601 HydrophobicContact CB-CZ 3.91Å; M549-F601 HydrophobicContact CG-CZ 4.37Å; M549-F601 HydrophobicContact SD-CE2 4.32Å; M549-F601 HydrophobicContact SD-CZ 3.73Å; M549-F636 HydrophobicContact CE-CD1 3.64Å; M549-F636 HydrophobicContact CE-CD2 4.23Å; M549-F636 HydrophobicContact CE-CE1 3.74Å; M549-F636 HydrophobicContact CE-CE2 4.32Å; M549-F636 HydrophobicContact CE-CG 3.89Å; M549-F636 HydrophobicContact CE-CZ 4.09Å; M549-F636 HydrophobicContact SD-CD1 4.41Å
550	K	92.3	Very high	94.9	Very high	84 Å²	84	39.3 Å²	39.3	37%	0.365	21%	0.212	S	C	.	.			trans	-70.5	168.7	169.2	-66.9	173.6	-178.3	160.3	0	110.4	N445 E548 S552 F553	N445-K550 PolarHBondContact OD1-NZ 2.67Å; E548-K550 HydrophobicContact CB-CD 4.24Å; E548-K550 HydrophobicContact CB-CG 4.05Å; E548-K550 PolarHBondContact O-N 3.28Å; E548-K550 VanDerWaalsContact O-N 3.09Å; E548-K550 WeakPolarHBondContact OE1-CE 3.36Å; E548-K550 IonicContact OE1-NZ 2.72Å; E548-K550 PolarHBondContact OE1-NZ 3.01Å; E548-K550 WeakPolarHBondContact OE2-CE 3.28Å; E548-K550 IonicContact OE2-NZ 2.85Å; E548-K550 PolarHBondContact OE2-NZ 2.89Å; K550-S552 PolarHBondContact O-N 3.16Å; K550-S552 VanDerWaalsContact O-N 3.15Å; K550-F553 WeakPolarHBondContact O-CA 3.44Å; K550-F553 WeakPolarHBondContact O-CB 3.16Å; K550-F553 PolarHBondContact O-N 3.2Å
551	M	91.6	Very high	94.9	Very high	77 Å²	77	39.6 Å²	39.6	38%	0.379	22%	0.22	S	C	.	.	H	α-helix	trans	-51	-43.1	177.1	-173.1	65.1	68.2	0	0	112.9	F553 F554 E555 G604 R605	M551-F553 PolarHBondContact O-N 3.13Å; M551-F554 PolarHBondContact O-N 3.37Å; M551-E555 PolarHBondContact O-N 3.02Å; M551-G604 VanDerWaalsContact CE-O 3.3Å; M551-G604 WeakPolarHBondContact CE-O 3.24Å; M551-G604 VanDerWaalsContact SD-CA 3.59Å; M551-R605 HydrophobicContact CE-CG 4.09Å
552	S	91.8	Very high	94.9	Very high	66 Å²	66	39.3 Å²	39.3	46%	0.462	21%	0.206	S	C	.	.	H	α-helix	trans	-62.1	-25.8	178.2	58.5	0	0	0	0	114	K550 R556	K550-S552 PolarHBondContact O-N 3.16Å; K550-S552 VanDerWaalsContact O-N 3.15Å; S552-R556 PolarHBondContact O-N 2.91Å; S552-R556 PolarHBondContact O-NH1 2.94Å; S552-R556 VanDerWaalsContact O-NH1 3.15Å
553	F	93.3	Very high	94.8	Very high	4 Å²	4	43 Å²	43	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-48.4	171.7	179.7	-88.7	0	0	0	110.5	L427 L547 M549 K550 M551 R556 L557 F574	L427-F553 HydrophobicContact CD2-CD2 3.97Å; L427-F553 HydrophobicContact CD2-CE2 3.29Å; L427-F553 HydrophobicContact CD2-CZ 3.87Å; L547-F553 HydrophobicContact CD2-CE2 3.83Å; L547-F553 HydrophobicContact CD2-CZ 4.07Å; M549-F553 HydrophobicContact CG-CD1 4.36Å; M549-F553 HydrophobicContact CG-CE1 4.2Å; M549-F553 HydrophobicContact CG-CZ 4.41Å; K550-F553 WeakPolarHBondContact O-CA 3.44Å; K550-F553 WeakPolarHBondContact O-CB 3.16Å; K550-F553 PolarHBondContact O-N 3.2Å; M551-F553 PolarHBondContact O-N 3.13Å; F553-R556 PolarHBondContact O-N 2.82Å; F553-L557 HydrophobicContact CD1-CD1 3.78Å; F553-L557 HydrophobicContact CD1-CD2 4.12Å; F553-L557 HydrophobicContact CD2-CD1 4.38Å; F553-L557 HydrophobicContact CE1-CD1 3.48Å; F553-L557 VanDerWaalsContact CE1-CD1 3.48Å; F553-L557 HydrophobicContact CE1-CD2 3.41Å; F553-L557 VanDerWaalsContact CE1-CD2 3.41Å; F553-L557 HydrophobicContact CE1-CG 4.07Å; F553-L557 HydrophobicContact CE2-CD1 4.13Å; F553-L557 HydrophobicContact CG-CD1 4.21Å; F553-L557 HydrophobicContact CZ-CD1 3.65Å; F553-L557 HydrophobicContact CZ-CD2 4.03Å; F553-L557 VanDerWaalsContact O-CD1 3.31Å; F553-L557 WeakPolarHBondContact O-CD1 3.3Å; F553-L557 PolarHBondContact O-N 3.13Å; F553-F574 AromaticContact CE1-CE1 3.8Å; F553-F574 HydrophobicContact CE1-CE1 3.8Å; F553-F574 AromaticContact CE1-CZ 3.69Å; F553-F574 HydrophobicContact CE1-CZ 3.69Å; F553-F574 HydrophobicContact CZ-CE1 4.23Å; F553-F574 HydrophobicContact CZ-CE2 4.37Å; F553-F574 AromaticContact CZ-CZ 3.64Å; F553-F574 HydrophobicContact CZ-CZ 3.64Å
554	F	93.3	Very high	94.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-71.1	-32.1	-179.3	-66.6	-69.7	0	0	0	113.2	M549 M551 R556 L557 R558 F574 F601 I634	M549-F554 HydrophobicContact CB-CE2 4.16Å; M549-F554 HydrophobicContact CB-CZ 4.24Å; M549-F554 WeakPolarHBondContact O-CE2 3.32Å; M551-F554 PolarHBondContact O-N 3.37Å; F554-R556 PolarHBondContact O-N 2.8Å; F554-L557 PolarHBondContact O-N 3.01Å; F554-R558 WeakPolarHBondContact O-CG 3.32Å; F554-R558 PolarHBondContact O-N 2.9Å; F554-F574 HydrophobicContact CE1-CD1 4.44Å; F554-F574 HydrophobicContact CE1-CE1 4.4Å; F554-F601 HydrophobicContact CD2-CD1 4.17Å; F554-F601 HydrophobicContact CE1-CD1 4.43Å; F554-F601 HydrophobicContact CE1-CD2 4.07Å; F554-F601 HydrophobicContact CE1-CE2 4.37Å; F554-F601 HydrophobicContact CE1-CG 4.13Å; F554-F601 HydrophobicContact CE2-CB 4.36Å; F554-F601 AromaticContact CE2-CD1 3.16Å; F554-F601 HydrophobicContact CE2-CD1 3.16Å; F554-F601 HydrophobicContact CE2-CD2 4.22Å; F554-F601 AromaticContact CE2-CE1 3.32Å; F554-F601 HydrophobicContact CE2-CE1 3.32Å; F554-F601 HydrophobicContact CE2-CE2 4.36Å; F554-F601 AromaticContact CE2-CG 3.66Å; F554-F601 HydrophobicContact CE2-CG 3.66Å; F554-F601 AromaticContact CE2-CZ 3.97Å; F554-F601 HydrophobicContact CE2-CZ 3.97Å; F554-F601 HydrophobicContact CZ-CB 4.23Å; F554-F601 AromaticContact CZ-CD1 3.34Å; F554-F601 HydrophobicContact CZ-CD1 3.34Å; F554-F601 AromaticContact CZ-CD2 3.49Å; F554-F601 HydrophobicContact CZ-CD2 3.49Å; F554-F601 VanDerWaalsContact CZ-CD2 3.49Å; F554-F601 AromaticContact CZ-CE1 3.39Å; F554-F601 HydrophobicContact CZ-CE1 3.39Å; F554-F601 AromaticContact CZ-CE2 3.57Å; F554-F601 HydrophobicContact CZ-CE2 3.57Å; F554-F601 AromaticContact CZ-CG 3.4Å; F554-F601 HydrophobicContact CZ-CG 3.4Å; F554-F601 AromaticContact CZ-CZ 3.53Å; F554-F601 HydrophobicContact CZ-CZ 3.53Å; F554-I634 HydrophobicContact CD1-CD1 3.65Å; F554-I634 HydrophobicContact CD1-CG2 4.24Å; F554-I634 HydrophobicContact CE1-CB 4.34Å; F554-I634 HydrophobicContact CE1-CD1 4.3Å; F554-I634 HydrophobicContact CE1-CG2 3.81Å; F554-I634 HydrophobicContact CG-CD1 4.42Å
555	E	92.4	Very high	94.6	Very high	106 Å²	106	48.9 Å²	48.9	50%	0.495	26%	0.26	S	S	.	.	H	α-helix	trans	-56.3	-41.7	171.5	-65.5	-54.4	152.7	0	0	111.7	M551 R558	M551-E555 PolarHBondContact O-N 3.02Å; E555-R558 IonicContact OE1-CZ 2.72Å; E555-R558 IonicContact OE1-NH1 3.09Å; E555-R558 PolarHBondContact OE1-NH1 3.35Å; E555-R558 IonicContact OE2-CZ 3.03Å; E555-R558 IonicContact OE2-NH1 2.75Å; E555-R558 PolarHBondContact OE2-NH1 3.11Å
556	R	93	Very high	94.4	Very high	64 Å²	64	49.3 Å²	49.3	24%	0.242	27%	0.267	C	S	.	.	H	α-helix	trans	-69.9	-47	174.9	-65.4	-170	-58.5	-84.4	1.4	112.1	Y426 N428 S552 F553 F554 R558 S559	Y426-R556 WeakPolarHBondContact O-CB 3.35Å; Y426-R556 WeakPolarHBondContact O-CD 3.32Å; Y426-R556 PolarHBondContact O-NE 3.27Å; N428-R556 PolarHBondContact OD1-NH1 3.01Å; S552-R556 PolarHBondContact O-N 2.91Å; S552-R556 PolarHBondContact O-NH1 2.94Å; S552-R556 VanDerWaalsContact O-NH1 3.15Å; F553-R556 PolarHBondContact O-N 2.82Å; F554-R556 PolarHBondContact O-N 2.8Å; R556-R558 PolarHBondContact O-N 3.28Å; R556-S559 WeakPolarHBondContact O-CB 3.3Å; R556-S559 PolarHBondContact O-N 3.32Å; R556-S559 PolarHBondContact O-OG 3.44Å
557	L	93.2	Very high	94.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59.8	-27.9	179.7	-95.9	71.3	0	0	0	113.5	L418 L427 F553 F554 S559 A560 W562 F574	L418-L557 HydrophobicContact CD2-CD2 4.38Å; L418-L557 HydrophobicContact CD2-CG 4.25Å; L427-L557 HydrophobicContact CD2-CD1 4.01Å; F553-L557 HydrophobicContact CD1-CD1 3.78Å; F553-L557 HydrophobicContact CD1-CD2 4.12Å; F553-L557 HydrophobicContact CD2-CD1 4.38Å; F553-L557 HydrophobicContact CE1-CD1 3.48Å; F553-L557 VanDerWaalsContact CE1-CD1 3.48Å; F553-L557 HydrophobicContact CE1-CD2 3.41Å; F553-L557 VanDerWaalsContact CE1-CD2 3.41Å; F553-L557 HydrophobicContact CE1-CG 4.07Å; F553-L557 HydrophobicContact CE2-CD1 4.13Å; F553-L557 HydrophobicContact CG-CD1 4.21Å; F553-L557 HydrophobicContact CZ-CD1 3.65Å; F553-L557 HydrophobicContact CZ-CD2 4.03Å; F553-L557 VanDerWaalsContact O-CD1 3.31Å; F553-L557 WeakPolarHBondContact O-CD1 3.3Å; F553-L557 PolarHBondContact O-N 3.13Å; F554-L557 PolarHBondContact O-N 3.01Å; L557-S559 PolarHBondContact O-N 2.97Å; L557-A560 WeakPolarHBondContact O-CB 3.49Å; L557-A560 PolarHBondContact O-N 2.84Å; L557-W562 HydrophobicContact CB-CZ2 4.49Å; L557-W562 PolarHBondContact O-NE1 3.26Å; L557-F574 HydrophobicContact CD2-CD1 3.97Å; L557-F574 HydrophobicContact CD2-CD2 3.88Å; L557-F574 HydrophobicContact CD2-CE1 4.01Å; L557-F574 HydrophobicContact CD2-CE2 3.93Å; L557-F574 HydrophobicContact CD2-CG 3.91Å; L557-F574 HydrophobicContact CD2-CZ 4Å
558	R	93.1	Very high	93.9	Very high	62 Å²	62	60 Å²	60	23%	0.234	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-23	174.4	-75.4	178	-164.8	119.6	3.5	113.3	F554 E555 R556 A560 E632	F554-R558 WeakPolarHBondContact O-CG 3.32Å; F554-R558 PolarHBondContact O-N 2.9Å; E555-R558 IonicContact OE1-CZ 2.72Å; E555-R558 IonicContact OE1-NH1 3.09Å; E555-R558 PolarHBondContact OE1-NH1 3.35Å; E555-R558 IonicContact OE2-CZ 3.03Å; E555-R558 IonicContact OE2-NH1 2.75Å; E555-R558 PolarHBondContact OE2-NH1 3.11Å; R556-R558 PolarHBondContact O-N 3.28Å; R558-A560 VanDerWaalsContact C-N 3.34Å; R558-E632 IonicContact CZ-OE2 3.58Å; R558-E632 VanDerWaalsContact CZ-OE2 3.24Å; R558-E632 IonicContact NE-OE1 3.27Å; R558-E632 PolarHBondContact NE-OE1 2.77Å; R558-E632 IonicContact NE-OE2 3.24Å; R558-E632 PolarHBondContact NE-OE2 2.94Å; R558-E632 IonicContact NH2-OE2 3.2Å; R558-E632 PolarHBondContact NH2-OE2 3.14Å
559	S	92.7	Very high	93.9	Very high	86 Å²	86	60.1 Å²	60.1	60%	0.601	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-6.8	173.6	73.5	0	0	0	0	113.5	R556 L557	R556-S559 WeakPolarHBondContact O-CB 3.3Å; R556-S559 PolarHBondContact O-N 3.32Å; R556-S559 PolarHBondContact O-OG 3.44Å; L557-S559 PolarHBondContact O-N 2.97Å
560	A	95.3	Very high	93.9	Very high	9 Å²	9	67 Å²	67	7%	0.074	36%	0.36	C	S	.	.	S	Bend	trans	-67	158.2	179.6	0	0	0	0	0	112.7	L418 Y426 L557 R558 W562	L418-A560 HydrophobicContact CD1-CB 4.32Å; L418-A560 HydrophobicContact CD2-CB 3.65Å; Y426-A560 HydrophobicContact CD1-CB 4.08Å; Y426-A560 HydrophobicContact CD2-CB 3.69Å; Y426-A560 VanDerWaalsContact CE1-CA 3.48Å; Y426-A560 HydrophobicContact CE1-CB 4.07Å; Y426-A560 HydrophobicContact CE2-CB 3.68Å; Y426-A560 HydrophobicContact CG-CB 3.9Å; L557-A560 WeakPolarHBondContact O-CB 3.49Å; L557-A560 PolarHBondContact O-N 2.84Å; R558-A560 VanDerWaalsContact C-N 3.34Å; A560-W562 PolarHBondContact O-N 2.88Å; A560-W562 VanDerWaalsContact O-N 3.13Å
561	T	95.8	Very high	94	Very high	97 Å²	97	63.2 Å²	63.2	60%	0.595	35%	0.345	S	S	*	.			trans	-79.6	95.3	172.3	-57.3	0	0	0	0	109.6	Y426	Y426-T561 PolarHBondContact OH-N 3.34Å; Y426-T561 PolarHBondContact OH-OG1 3.31Å
562	W	97.3	Very high	94.3	Very high	33 Å²	33	59.5 Å²	59.5	13%	0.125	33%	0.327	C	S	.	.			trans	-78.3	139.2	175.5	-66.9	81.2	0	0	0	111.2	L416 L418 L557 A560 F574 R576 I634	L416-W562 HydrophobicContact CB-CB 4.02Å; L416-W562 HydrophobicContact CB-CD2 4.37Å; L416-W562 HydrophobicContact CB-CE3 3.92Å; L416-W562 HydrophobicContact CB-CG 4.43Å; L416-W562 HydrophobicContact CD1-CB 4.11Å; L416-W562 HydrophobicContact CD1-CG 4.44Å; L416-W562 HydrophobicContact CD2-CB 4.07Å; L416-W562 HydrophobicContact CG-CB 4.29Å; L418-W562 HydrophobicContact CB-CD2 4.03Å; L418-W562 HydrophobicContact CB-CE3 3.66Å; L418-W562 HydrophobicContact CB-CH2 4.11Å; L418-W562 HydrophobicContact CB-CZ2 4.43Å; L418-W562 HydrophobicContact CB-CZ3 3.71Å; L418-W562 HydrophobicContact CD2-CH2 4.48Å; L418-W562 HydrophobicContact CD2-CZ2 4.17Å; L557-W562 HydrophobicContact CB-CZ2 4.49Å; L557-W562 PolarHBondContact O-NE1 3.26Å; A560-W562 PolarHBondContact O-N 2.88Å; A560-W562 VanDerWaalsContact O-N 3.13Å; W562-F574 HydrophobicContact CH2-CB 3.65Å; W562-F574 HydrophobicContact CZ3-CB 3.92Å; W562-R576 HydrophobicContact CD2-CB 4.5Å; W562-R576 HydrophobicContact CE3-CB 3.93Å; W562-R576 HydrophobicContact CH2-CB 3.89Å; W562-R576 HydrophobicContact CZ2-CB 4.46Å; W562-R576 HydrophobicContact CZ3-CB 3.6Å; W562-I634 HydrophobicContact CH2-CG2 4.47Å
563	K	96.9	Very high	94.6	Very high	80 Å²	80	56.4 Å²	56.4	35%	0.348	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	157.8	179.2	-65.5	168.5	-178.6	167.5	0	109.9	L416 Y417 D422	L416-K563 CarbonylContact C-O 3.55Å; L416-K563 VanDerWaalsContact CA-O 3.31Å; L416-K563 WeakPolarHBondContact CA-O 3.25Å; Y417-K563 HydrophobicContact CD1-CB 3.69Å; Y417-K563 WeakPolarHBondContact CD1-O 3.49Å; Y417-K563 HydrophobicContact CE1-CB 3.31Å; Y417-K563 HydrophobicContact CE1-CD 4.09Å; Y417-K563 HydrophobicContact CE1-CG 4.33Å; Y417-K563 PolarHBondContact N-O 3.2Å; Y417-K563 PolarHBondContact O-N 2.95Å; D422-K563 IonicContact OD2-NZ 2.7Å; D422-K563 PolarHBondContact OD2-NZ 3.33Å
564	P	96.9	Very high	94.9	Very high	107 Å²	107	56.2 Å²	56.2	70%	0.695	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	138.7	169.7	-22	33.7	0	0	0	111.3	Y417	Y417-P564 WeakPolarHBondContact CD1-O 3.37Å; Y417-P564 WeakPolarHBondContact CE1-O 3.19Å
565	V	95.8	Very high	95.1	Very high	50 Å²	50	56.3 Å²	56.3	30%	0.303	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-57.5	128.6	179.1	173.5	0	0	0	0	110.4	P414 S415 Y575	P414-V565 HydrophobicContact CB-CG2 4.21Å; P414-V565 WeakPolarHBondContact O-CG2 3.41Å; S415-V565 PolarHBondContact O-N 2.71Å; V565-Y575 HydrophobicContact CG1-CD1 4.46Å; V565-Y575 HydrophobicContact CG1-CE1 4.38Å; V565-Y575 HydrophobicContact CG2-CD1 4.21Å
566	P	94.2	Very high	95.4	Very high	43 Å²	43	54.5 Å²	54.5	28%	0.279	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-77.1	166.1	175.6	33.8	-36	0	0	0	111.2	Y417 S568 H569	Y417-P566 HydrophobicContact CE1-CG 4.37Å; Y417-P566 HydrophobicContact CE2-CG 4.29Å; P566-S568 PolarHBondContact O-N 3.08Å; P566-H569 HydrophobicContact CG-CB 3.91Å
567	D	91.1	Very high	95.5	Very high	178 Å²	178	51.7 Å²	51.7	95%	0.952	28%	0.284	S	S	*	.	S	Bend	trans	-57.8	-35.6	176.1	-68.2	-24.1	0	0	0	112.6
568	S	92.8	Very high	95.8	Very high	78 Å²	78	55 Å²	55	55%	0.545	30%	0.304	S	S	.	.			trans	-155.9	142.8	174.8	-177.3	0	0	0	0	110.4	P566 S641	P566-S568 PolarHBondContact O-N 3.08Å; S568-S641 WeakPolarHBondContact CA-OG 3.42Å
569	H	94.3	Very high	96	Very high	32 Å²	32	52.4 Å²	52.4	15%	0.148	30%	0.295	C	S	.	.			trans	-138	132	172.4	179.2	75.3	0	0	0	110.3	P566 S641	P566-H569 HydrophobicContact CG-CB 3.91Å; H569-S641 PolarHBondContact N-OG 3.42Å; H569-S641 PolarHBondContact O-N 3.24Å; H569-S641 PolarHBondContact O-OG 2.83Å
570	Q	94.9	Very high	96.3	Very high	151 Å²	151	54.6 Å²	54.6	71%	0.706	29%	0.293	S	S	*	.	B	Isolated β-bridge	trans	-104.4	127.4	176	-171.4	176	13.8	0	0	109.7
571	G	95.4	Very high	96.3	Very high	4 Å²	4	54.5 Å²	54.5	4%	0.041	29%	0.293	C	S	.	.	S	Bend	trans	110.9	-176.9	-179.9	0	0	0	0	0	114.4	A573 K638 M639	G571-A573 PolarHBondContact O-N 3.17Å; G571-K638 CarbonylContact C-O 3.41Å; G571-M639 PolarHBondContact N-O 3.49Å
572	P	97.9	Very high	96.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.274	C	S	.	.			trans	-75.2	121	-171.5	29.1	-34.1	0	0	0	112.4	L420 W421 F478 L508 F636 E637	L420-P572 HydrophobicContact CB-CB 4Å; L420-P572 HydrophobicContact CB-CG 4.01Å; L420-P572 VanDerWaalsContact CB-O 3.27Å; L420-P572 WeakPolarHBondContact CB-O 3.39Å; L420-P572 HydrophobicContact CD2-CB 3.91Å; L420-P572 HydrophobicContact CD2-CG 3.84Å; L420-P572 PolarHBondContact N-O 3.49Å; W421-P572 HydrophobicContact CH2-CG 3.86Å; W421-P572 HydrophobicContact CZ2-CG 3.62Å; F478-P572 HydrophobicContact CE1-CG 4.42Å; F478-P572 HydrophobicContact CZ-CG 4.01Å; L508-P572 HydrophobicContact CD2-CB 4.01Å; L508-P572 HydrophobicContact CD2-CG 4.03Å; P572-F636 HydrophobicContact CB-CE2 4.01Å; P572-F636 HydrophobicContact CB-CZ 3.87Å; P572-E637 CarbonylContact C-O 3.45Å; P572-E637 VanDerWaalsContact CA-O 3.26Å; P572-E637 WeakPolarHBondContact CA-O 3.44Å
573	A	98	Very high	96.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	154.8	177.6	0	0	0	0	0	112.3	L418 G571 Y575 F636 E637	L418-A573 WeakPolarHBondContact O-CA 3.27Å; G571-A573 PolarHBondContact O-N 3.17Å; A573-Y575 HydrophobicContact CB-CE2 3.73Å; A573-F636 WeakPolarHBondContact O-CA 3.29Å; A573-E637 PolarHBondContact N-O 2.97Å; A573-E637 PolarHBondContact O-N 3.12Å
574	F	98.3	Very high	96.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	140	169.9	-57.7	-88.2	0	0	0	110	Y417 L418 L420 A423 M549 F553 F554 L557 W562 I634 L635 F636	Y417-F574 CarbonylContact C-O 3.5Å; Y417-F574 WeakPolarHBondContact CA-O 3.43Å; L418-F574 HydrophobicContact CB-CB 4.4Å; L418-F574 PolarHBondContact N-O 3.44Å; L418-F574 PolarHBondContact O-N 3.35Å; L420-F574 HydrophobicContact CD1-CE2 4.01Å; L420-F574 HydrophobicContact CD1-CZ 4.46Å; A423-F574 HydrophobicContact CB-CD2 4.4Å; A423-F574 HydrophobicContact CB-CE2 4.14Å; M549-F574 HydrophobicContact CE-CE1 4.15Å; M549-F574 HydrophobicContact CE-CZ 4.11Å; F553-F574 AromaticContact CE1-CE1 3.8Å; F553-F574 HydrophobicContact CE1-CE1 3.8Å; F553-F574 AromaticContact CE1-CZ 3.69Å; F553-F574 HydrophobicContact CE1-CZ 3.69Å; F553-F574 HydrophobicContact CZ-CE1 4.23Å; F553-F574 HydrophobicContact CZ-CE2 4.37Å; F553-F574 AromaticContact CZ-CZ 3.64Å; F553-F574 HydrophobicContact CZ-CZ 3.64Å; F554-F574 HydrophobicContact CE1-CD1 4.44Å; F554-F574 HydrophobicContact CE1-CE1 4.4Å; L557-F574 HydrophobicContact CD2-CD1 3.97Å; L557-F574 HydrophobicContact CD2-CD2 3.88Å; L557-F574 HydrophobicContact CD2-CE1 4.01Å; L557-F574 HydrophobicContact CD2-CE2 3.93Å; L557-F574 HydrophobicContact CD2-CG 3.91Å; L557-F574 HydrophobicContact CD2-CZ 4Å; W562-F574 HydrophobicContact CH2-CB 3.65Å; W562-F574 HydrophobicContact CZ3-CB 3.92Å; F574-I634 HydrophobicContact CB-CG2 4.34Å; F574-I634 HydrophobicContact CD1-CG2 4.15Å; F574-L635 CarbonylContact C-O 3.22Å; F574-L635 VanDerWaalsContact CA-O 3.27Å; F574-L635 WeakPolarHBondContact CA-O 3.4Å; F574-F636 HydrophobicContact CD1-CB 3.92Å; F574-F636 AromaticContact CD1-CD2 3.71Å; F574-F636 HydrophobicContact CD1-CD2 3.71Å; F574-F636 HydrophobicContact CD1-CG 4.23Å; F574-F636 HydrophobicContact CD2-CD2 4.21Å; F574-F636 HydrophobicContact CE1-CB 3.89Å; F574-F636 AromaticContact CE1-CD2 3.41Å; F574-F636 HydrophobicContact CE1-CD2 3.41Å; F574-F636 VanDerWaalsContact CE1-CD2 3.41Å; F574-F636 HydrophobicContact CE1-CE2 4.2Å; F574-F636 AromaticContact CE1-CG 3.88Å; F574-F636 HydrophobicContact CE1-CG 3.88Å; F574-F636 AromaticContact CE2-CD2 3.95Å; F574-F636 HydrophobicContact CE2-CD2 3.95Å; F574-F636 HydrophobicContact CE2-CE2 4.07Å; F574-F636 HydrophobicContact CG-CD2 4.09Å; F574-F636 AromaticContact CZ-CD2 3.53Å; F574-F636 HydrophobicContact CZ-CD2 3.53Å; F574-F636 AromaticContact CZ-CE2 3.84Å; F574-F636 HydrophobicContact CZ-CE2 3.84Å; F574-F636 HydrophobicContact CZ-CG 4.33Å
575	Y	98.3	Very high	96.4	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.9	178.7	-63.7	-95.9	0	0	0	108.5	P414 L416 V565 A573 W595 I634 L635 E637 S641	P414-Y575 HydrophobicContact CB-CD1 4.48Å; L416-Y575 CarbonylContact O-C 3.37Å; L416-Y575 WeakPolarHBondContact O-CA 3.41Å; V565-Y575 HydrophobicContact CG1-CD1 4.46Å; V565-Y575 HydrophobicContact CG1-CE1 4.38Å; V565-Y575 HydrophobicContact CG2-CD1 4.21Å; A573-Y575 HydrophobicContact CB-CE2 3.73Å; Y575-W595 AromaticContact CD1-CH2 3.81Å; Y575-W595 HydrophobicContact CD1-CH2 3.81Å; Y575-W595 HydrophobicContact CD1-CZ3 4.33Å; Y575-W595 AromaticContact CD2-CH2 3.85Å; Y575-W595 HydrophobicContact CD2-CH2 3.85Å; Y575-W595 AromaticContact CD2-CZ3 3.69Å; Y575-W595 HydrophobicContact CD2-CZ3 3.69Å; Y575-W595 HydrophobicContact CE1-CH2 4.23Å; Y575-W595 HydrophobicContact CE1-CZ3 4.43Å; Y575-W595 HydrophobicContact CE2-CH2 4.3Å; Y575-W595 AromaticContact CE2-CZ3 3.85Å; Y575-W595 HydrophobicContact CE2-CZ3 3.85Å; Y575-W595 AromaticContact CG-CH2 3.6Å; Y575-W595 HydrophobicContact CG-CH2 3.6Å; Y575-W595 AromaticContact CG-CZ3 3.96Å; Y575-W595 HydrophobicContact CG-CZ3 3.96Å; Y575-I634 CarbonylContact O-C 3.56Å; Y575-I634 VanDerWaalsContact O-CA 3.3Å; Y575-I634 WeakPolarHBondContact O-CA 3.41Å; Y575-L635 HydrophobicContact CD2-CD2 3.97Å; Y575-L635 PolarHBondContact N-O 2.7Å; Y575-L635 PolarHBondContact O-N 2.94Å; Y575-E637 HydrophobicContact CD2-CB 4.23Å; Y575-E637 HydrophobicContact CE2-CB 3.84Å; Y575-S641 VanDerWaalsContact OH-CB 3.23Å; Y575-S641 WeakPolarHBondContact OH-CB 3.23Å
576	R	97.7	Very high	96.5	Very high	69 Å²	69	52.6 Å²	52.6	26%	0.26	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.9	-176.1	-177.5	-179.1	-172	-153.3	1.5	110.8	P414 S415 L416 W562 E632 V633 I634	P414-R576 WeakPolarHBondContact CA-O 3.16Å; S415-R576 PolarHBondContact N-O 2.71Å; L416-R576 HydrophobicContact CB-CB 4.11Å; L416-R576 PolarHBondContact N-O 3.41Å; L416-R576 PolarHBondContact O-N 3.15Å; W562-R576 HydrophobicContact CD2-CB 4.5Å; W562-R576 HydrophobicContact CE3-CB 3.93Å; W562-R576 HydrophobicContact CH2-CB 3.89Å; W562-R576 HydrophobicContact CZ2-CB 4.46Å; W562-R576 HydrophobicContact CZ3-CB 3.6Å; R576-E632 IonicContact CZ-OE1 3Å; R576-E632 VanDerWaalsContact CZ-OE1 3.24Å; R576-E632 IonicContact NE-OE1 2.66Å; R576-E632 PolarHBondContact NE-OE1 2.88Å; R576-E632 IonicContact NH2-OE1 2.7Å; R576-E632 PolarHBondContact NH2-OE1 3.17Å; R576-V633 WeakPolarHBondContact CA-O 3.49Å; R576-I634 HydrophobicContact CB-CG1 4.31Å; R576-I634 HydrophobicContact CG-CG1 4.12Å
577	G	96.9	Very high	96.7	Very high	4 Å²	4	50.9 Å²	50.9	4%	0.041	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	-174.3	174.7	0	0	0	0	0	112.1	V633	G577-V633 PolarHBondContact N-O 3.48Å; G577-V633 PolarHBondContact O-N 3.25Å
578	T	97.8	Very high	97.1	Very high	71 Å²	71	42.4 Å²	42.4	44%	0.436	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	119.3	-175.1	-55.9	0	0	0	0	110.6	M412 D630 N631	M412-T578 WeakPolarHBondContact CG-O 3.41Å; T578-D630 HydrophobicContact CG2-CB 3.61Å; T578-N631 CarbonylContact C-O 3.58Å; T578-N631 WeakPolarHBondContact CA-O 3.5Å
579	L	98.1	Very high	97.4	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	125	169.7	177.6	71.3	0	0	0	109.2	Y409 L621 L626 N631 V633	Y409-L579 HydrophobicContact CD2-CD1 4.35Å; Y409-L579 HydrophobicContact CD2-CD2 4.42Å; Y409-L579 HydrophobicContact CG-CD1 4.42Å; L579-L621 HydrophobicContact CD2-CD2 3.8Å; L579-L626 HydrophobicContact CD2-CD2 3.93Å; L579-N631 HydrophobicContact CB-CB 4.28Å; L579-N631 PolarHBondContact N-O 2.84Å; L579-N631 PolarHBondContact O-N 3.18Å; L579-V633 HydrophobicContact CB-CG2 3.59Å
580	K	97.8	Very high	97.6	Very high	132 Å²	132	37.4 Å²	37.4	57%	0.574	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	101.2	178	-60.1	-170.9	175.8	-173	0	110.1
581	A	97.3	Very high	97.7	Very high	7 Å²	7	30.6 Å²	30.6	6%	0.058	17%	0.173	C	C	.	.			trans	-90.3	-9.1	-176.8	0	0	0	0	0	113.8	Y409 P585 L626 E629	Y409-A581 HydrophobicContact CD1-CB 4.46Å; Y409-A581 VanDerWaalsContact CE1-CA 3.49Å; Y409-A581 HydrophobicContact CE1-CB 3.97Å; Y409-A581 VanDerWaalsContact CE1-O 3.24Å; Y409-A581 WeakPolarHBondContact CE1-O 3.35Å; A581-P585 HydrophobicContact CB-CB 4.04Å; A581-P585 HydrophobicContact CB-CG 3.91Å; A581-L626 HydrophobicContact CB-CD1 4.21Å; A581-E629 PolarHBondContact N-O 2.72Å
582	G	96.8	Very high	97.6	Very high	20 Å²	20	30.8 Å²	30.8	21%	0.206	17%	0.173	C	C	.	.			trans	67.3	-174.1	-173.7	0	0	0	0	0	113	S584 E629	G582-S584 VanDerWaalsContact C-N 3.3Å; G582-S584 PolarHBondContact O-N 3.18Å; G582-E629 PolarHBondContact O-N 2.9Å
583	P	97.1	Very high	97.3	Very high	95 Å²	95	35.4 Å²	35.4	62%	0.617	20%	0.197	S	C	*	.	S	Bend	trans	-72.8	-22.2	-166.6	25.2	-34.6	0	0	0	113.9	E629	P583-E629 VanDerWaalsContact CA-OE1 3.23Å; P583-E629 WeakPolarHBondContact CA-OE1 3.4Å; P583-E629 WeakPolarHBondContact CB-OE1 3.49Å; P583-E629 VanDerWaalsContact CD-OE1 3.29Å; P583-E629 WeakPolarHBondContact CD-OE1 3.37Å
584	S	96.7	Very high	97	Very high	96 Å²	96	38.9 Å²	38.9	67%	0.671	22%	0.216	S	C	*	.	S	Bend	trans	-131.8	79.8	-177.2	-62.3	0	0	0	0	110.8	G582	G582-S584 VanDerWaalsContact C-N 3.3Å; G582-S584 PolarHBondContact O-N 3.18Å
585	P	97.3	Very high	96.9	Very high	31 Å²	31	39 Å²	39	20%	0.201	22%	0.216	C	C	.	.			trans	-58.3	144.1	-179.1	-23.6	33.3	0	0	0	112.9	Y409 A581 L626 R627	Y409-P585 WeakPolarHBondContact OH-CA 3.24Å; A581-P585 HydrophobicContact CB-CB 4.04Å; A581-P585 HydrophobicContact CB-CG 3.91Å; P585-L626 HydrophobicContact CB-CB 3.59Å; P585-L626 HydrophobicContact CB-CD1 3.85Å; P585-L626 HydrophobicContact CB-CG 4.36Å; P585-L626 HydrophobicContact CG-CB 4Å; P585-R627 WeakPolarHBondContact CG-O 3.4Å
586	K	98.1	Very high	96.9	Very high	86 Å²	86	40.9 Å²	40.9	37%	0.374	23%	0.227	S	C	.	.			trans	-125.1	165.6	173.3	-64.6	171.3	179.5	176.3	0	110.6	P405 A407 Y409	P405-K586 HydrophobicContact CG-CD 4.14Å; P405-K586 WeakPolarHBondContact O-CD 3.5Å; A407-K586 HydrophobicContact CB-CB 3.9Å; A407-K586 HydrophobicContact CB-CD 4.41Å; Y409-K586 PolarHBondContact OH-N 3.14Å; Y409-K586 PolarHBondContact OH-O 2.67Å
587	D	98.7	Very high	96.9	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.037	22%	0.215	C	C	.	.			trans	-57.5	144.8	173.6	-78.9	7.1	0	0	0	110.1	Y103 K406 A407 Y620 P622 A623	Y103-D587 PolarHBondContact OH-OD1 2.83Å; K406-D587 CarbonylContact C-O 3.57Å; K406-D587 WeakPolarHBondContact CA-O 3.36Å; K406-D587 WeakPolarHBondContact CB-O 3.3Å; K406-D587 HydrophobicContact CG-CB 3.98Å; A407-D587 PolarHBondContact N-O 2.93Å; D587-Y620 HydrophobicContact CB-CE2 4Å; D587-Y620 VanDerWaalsContact CG-OH 3.28Å; D587-Y620 WeakPolarHBondContact OD2-CE2 3.33Å; D587-Y620 PolarHBondContact OD2-OH 3.46Å; D587-P622 WeakPolarHBondContact OD1-CA 3.2Å; D587-A623 WeakPolarHBondContact OD1-CB 3.35Å; D587-A623 PolarHBondContact OD1-N 2.99Å
588	T	98.8	Very high	96.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	175.5	175.9	-164.9	0	0	0	0	110.1	A407 Y409 L590 L621 S647 T648	A407-T588 WeakPolarHBondContact O-CB 3.46Å; A407-T588 PolarHBondContact O-OG1 2.88Å; Y409-T588 HydrophobicContact CD2-CG2 3.83Å; Y409-T588 HydrophobicContact CE2-CG2 3.61Å; T588-L590 HydrophobicContact CG2-CD2 4.35Å; T588-L621 HydrophobicContact CG2-CB 3.8Å; T588-L621 HydrophobicContact CG2-CD2 3.9Å; T588-L621 HydrophobicContact CG2-CG 4.02Å; T588-L621 PolarHBondContact N-O 2.92Å; T588-L621 PolarHBondContact O-N 2.91Å; T588-S647 WeakPolarHBondContact OG1-CB 3.43Å; T588-T648 PolarHBondContact OG1-O 2.87Å; T588-T648 VanDerWaalsContact OG1-O 3.09Å
589	F	98.8	Very high	97	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.009	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.9	171.9	-57	-85.6	0	0	0	109.8	A375 K406 T618 L619 Y620 S647 T648 P651	A375-F589 HydrophobicContact CB-CE1 4.27Å; A375-F589 HydrophobicContact CB-CZ 3.77Å; K406-F589 HydrophobicContact CD-CD2 4.37Å; K406-F589 HydrophobicContact CD-CE2 3.48Å; K406-F589 VanDerWaalsContact CD-CE2 3.48Å; K406-F589 HydrophobicContact CD-CZ 4.1Å; F589-T618 HydrophobicContact CB-CG2 4.36Å; F589-L619 CarbonylContact C-O 3.43Å; F589-L619 VanDerWaalsContact CA-O 3.32Å; F589-L619 WeakPolarHBondContact CA-O 3.34Å; F589-Y620 HydrophobicContact CD1-CD2 4.03Å; F589-Y620 HydrophobicContact CD1-CG 4.46Å; F589-Y620 AromaticContact CE1-CD2 3.61Å; F589-Y620 HydrophobicContact CE1-CD2 3.61Å; F589-Y620 HydrophobicContact CE1-CG 4.11Å; F589-Y620 HydrophobicContact CZ-CD2 4.21Å; F589-S647 CarbonylContact O-C 3.43Å; F589-S647 WeakPolarHBondContact O-CA 3.27Å; F589-T648 PolarHBondContact N-O 2.77Å; F589-T648 PolarHBondContact O-N 2.85Å; F589-P651 HydrophobicContact CD1-CB 3.82Å; F589-P651 HydrophobicContact CD2-CB 4.41Å; F589-P651 HydrophobicContact CE1-CB 3.7Å; F589-P651 HydrophobicContact CE1-CG 4.19Å; F589-P651 HydrophobicContact CE2-CB 4.25Å; F589-P651 VanDerWaalsContact CE2-CD 3.47Å; F589-P651 HydrophobicContact CE2-CG 4.27Å; F589-P651 HydrophobicContact CG-CB 4.18Å; F589-P651 HydrophobicContact CZ-CB 3.92Å; F589-P651 HydrophobicContact CZ-CG 3.94Å
590	L	98.6	Very high	97	Very high	3 Å²	3	34 Å²	34	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	118.9	177.8	-58.8	-174.7	0	0	0	109.7	T588 L592 V600 I602 L607 T618 L619 L621 I645 K646	T588-L590 HydrophobicContact CG2-CD2 4.35Å; L590-L592 HydrophobicContact CB-CD1 4.33Å; L590-L592 WeakPolarHBondContact O-CD1 3.22Å; L590-V600 HydrophobicContact CD1-CG1 3.87Å; L590-I602 HydrophobicContact CD1-CD1 4.1Å; L590-L607 HydrophobicContact CD1-CD1 3.67Å; L590-T618 CarbonylContact O-C 3.49Å; L590-T618 WeakPolarHBondContact O-CA 3.37Å; L590-L619 HydrophobicContact CB-CB 4.47Å; L590-L619 PolarHBondContact N-O 3.37Å; L590-L619 PolarHBondContact O-N 2.89Å; L590-L621 HydrophobicContact CD1-CD2 4.1Å; L590-L621 HydrophobicContact CD2-CD2 3.96Å; L590-L621 HydrophobicContact CG-CB 4.3Å; L590-L621 HydrophobicContact CG-CD2 4.1Å; L590-I645 HydrophobicContact CB-CG2 3.95Å; L590-I645 HydrophobicContact CD1-CG2 4.41Å; L590-I645 HydrophobicContact CD2-CG2 4.21Å; L590-I645 HydrophobicContact CG-CG2 4.42Å; L590-K646 CarbonylContact C-O 3.22Å; L590-K646 WeakPolarHBondContact CA-O 3.48Å
591	S	97.1	Very high	97	Very high	8 Å²	8	27.7 Å²	27.7	6%	0.056	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	124.5	174.9	178.4	0	0	0	0	110.2	L593 K646	S591-L593 WeakPolarHBondContact OG-CG 3.44Å; S591-K646 PolarHBondContact N-O 2.92Å; S591-K646 PolarHBondContact O-N 3.47Å
592	L	93.6	Very high	97	Very high	7 Å²	7	27.4 Å²	27.4	4%	0.037	16%	0.161	C	C	.	.			trans	-117	31.8	-175.5	-66.1	117.4	0	0	0	112.1	L590 N594 W595 V600 Y610 L619 L635 I645	L590-L592 HydrophobicContact CB-CD1 4.33Å; L590-L592 WeakPolarHBondContact O-CD1 3.22Å; L592-N594 PolarHBondContact O-N 2.96Å; L592-N594 VanDerWaalsContact O-N 3.14Å; L592-W595 HydrophobicContact CB-CB 4.32Å; L592-W595 HydrophobicContact CD2-CG 4.33Å; L592-W595 WeakPolarHBondContact O-CB 3.43Å; L592-W595 PolarHBondContact O-N 3.09Å; L592-V600 HydrophobicContact CD1-CG2 4.09Å; L592-V600 HydrophobicContact CD2-CG2 3.61Å; L592-V600 HydrophobicContact CG-CG2 4.49Å; L592-Y610 HydrophobicContact CB-CD2 3.9Å; L592-Y610 HydrophobicContact CB-CE2 4.41Å; L592-Y610 HydrophobicContact CB-CG 4.03Å; L592-Y610 HydrophobicContact CD1-CD1 4.27Å; L592-Y610 HydrophobicContact CD1-CG 4.07Å; L592-Y610 HydrophobicContact CD2-CD1 3.71Å; L592-Y610 HydrophobicContact CD2-CD2 4.29Å; L592-Y610 HydrophobicContact CD2-CE1 3.79Å; L592-Y610 HydrophobicContact CD2-CE2 4.4Å; L592-Y610 HydrophobicContact CD2-CG 3.97Å; L592-Y610 HydrophobicContact CG-CD1 4.41Å; L592-Y610 HydrophobicContact CG-CG 4.23Å; L592-L619 HydrophobicContact CD1-CB 4.48Å; L592-L619 HydrophobicContact CD1-CD1 3.95Å; L592-L619 HydrophobicContact CD1-CG 4.08Å; L592-L635 HydrophobicContact CD2-CD1 3.4Å; L592-I645 HydrophobicContact CD2-CD1 4.16Å; L592-I645 HydrophobicContact CD2-CG1 4.3Å
593	L	91.3	Very high	97	Very high	97 Å²	97	27.1 Å²	27.1	51%	0.508	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.8	-175.9	-63.6	175	0	0	0	114.1	S591 W595 Q617	S591-L593 WeakPolarHBondContact OG-CG 3.44Å; L593-W595 VanDerWaalsContact C-N 3.32Å; L593-Q617 HydrophobicContact CD2-CB 3.96Å; L593-Q617 HydrophobicContact CD2-CG 4.08Å
594	N	92.9	Very high	96.9	Very high	73 Å²	73	22.8 Å²	22.8	39%	0.39	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	5	177.9	-65.1	-22.3	0	0	0	112.9	L592 G642 S643 D644	L592-N594 PolarHBondContact O-N 2.96Å; L592-N594 VanDerWaalsContact O-N 3.14Å; N594-G642 WeakPolarHBondContact O-CA 3.31Å; N594-S643 WeakPolarHBondContact CB-OG 3.49Å; N594-S643 PolarHBondContact ND2-OG 2.9Å; N594-D644 PolarHBondContact ND2-OD1 2.87Å
595	W	96.3	Very high	96.8	Very high	3 Å²	3	24.1 Å²	24.1	1%	0.011	12%	0.118	C	C	.	.			trans	-116.3	166.9	178.6	-63.6	82.7	0	0	0	110.3	P414 Y575 L592 L593 Y610 L635 E637 G642 D644	P414-W595 HydrophobicContact CG-CH2 4.25Å; P414-W595 HydrophobicContact CG-CZ2 3.91Å; Y575-W595 AromaticContact CD1-CH2 3.81Å; Y575-W595 HydrophobicContact CD1-CH2 3.81Å; Y575-W595 HydrophobicContact CD1-CZ3 4.33Å; Y575-W595 AromaticContact CD2-CH2 3.85Å; Y575-W595 HydrophobicContact CD2-CH2 3.85Å; Y575-W595 AromaticContact CD2-CZ3 3.69Å; Y575-W595 HydrophobicContact CD2-CZ3 3.69Å; Y575-W595 HydrophobicContact CE1-CH2 4.23Å; Y575-W595 HydrophobicContact CE1-CZ3 4.43Å; Y575-W595 HydrophobicContact CE2-CH2 4.3Å; Y575-W595 AromaticContact CE2-CZ3 3.85Å; Y575-W595 HydrophobicContact CE2-CZ3 3.85Å; Y575-W595 AromaticContact CG-CH2 3.6Å; Y575-W595 HydrophobicContact CG-CH2 3.6Å; Y575-W595 AromaticContact CG-CZ3 3.96Å; Y575-W595 HydrophobicContact CG-CZ3 3.96Å; L592-W595 HydrophobicContact CB-CB 4.32Å; L592-W595 HydrophobicContact CD2-CG 4.33Å; L592-W595 WeakPolarHBondContact O-CB 3.43Å; L592-W595 PolarHBondContact O-N 3.09Å; L593-W595 VanDerWaalsContact C-N 3.32Å; W595-Y610 HydrophobicContact CB-CD2 4.28Å; W595-Y610 HydrophobicContact CB-CE2 3.39Å; W595-Y610 HydrophobicContact CG-CE2 4.45Å; W595-L635 HydrophobicContact CD2-CD1 3.71Å; W595-L635 HydrophobicContact CD2-CD2 4.08Å; W595-L635 HydrophobicContact CE3-CD1 3.98Å; W595-L635 HydrophobicContact CE3-CD2 3.46Å; W595-L635 VanDerWaalsContact CE3-CD2 3.46Å; W595-L635 HydrophobicContact CE3-CG 4.42Å; W595-L635 HydrophobicContact CG-CD1 4.15Å; W595-L635 HydrophobicContact CH2-CD1 4.43Å; W595-L635 HydrophobicContact CH2-CD2 3.87Å; W595-L635 HydrophobicContact CZ2-CD1 4.19Å; W595-L635 HydrophobicContact CZ2-CD2 4.44Å; W595-L635 HydrophobicContact CZ3-CD1 4.33Å; W595-L635 HydrophobicContact CZ3-CD2 3.34Å; W595-L635 HydrophobicContact CZ3-CG 4.48Å; W595-E637 HydrophobicContact CE3-CB 3.75Å; W595-E637 HydrophobicContact CE3-CG 3.86Å; W595-E637 HydrophobicContact CZ3-CB 3.74Å; W595-E637 HydrophobicContact CZ3-CG 4.08Å; W595-G642 VanDerWaalsContact CE3-N 3.28Å; W595-G642 VanDerWaalsContact CZ3-N 3.28Å; W595-D644 PolarHBondContact NE1-O 3.03Å
596	N	97.3	Very high	96.8	Very high	42 Å²	42	23.8 Å²	23.8	23%	0.225	11%	0.114	C	C	.	.			trans	-106.2	-66.7	-171.8	-71.1	-86.4	0	0	0	112.1	N612 E637 M639 L640	N596-N612 WeakPolarHBondContact O-CB 3.31Å; N596-N612 PolarHBondContact O-N 2.84Å; N596-N612 PolarHBondContact O-OD1 3Å; N596-N612 PolarHBondContact OD1-ND2 2.88Å; N596-E637 PolarHBondContact N-OE2 2.88Å; N596-M639 HydrophobicContact CB-CB 3.94Å; N596-M639 HydrophobicContact CB-CG 4.49Å; N596-L640 PolarHBondContact ND2-O 3.48Å
597	Y	97.5	Very high	96.8	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.016	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	118.5	-175.6	-176.8	-177.8	0	0	0	110.7	M474 E510 Q512 R609 Y610 W611 E637 K638	M474-Y597 HydrophobicContact CE-CE1 4.27Å; E510-Y597 PolarHBondContact OE1-OH 3Å; E510-Y597 PolarHBondContact OE2-OH 3.45Å; Q512-Y597 PolarHBondContact NE2-OH 2.93Å; Y597-R609 HydrophobicContact CD2-CG 4.32Å; Y597-R609 HydrophobicContact CE2-CG 3.81Å; Y597-R609 PolarHBondContact OH-NH1 3.05Å; Y597-Y610 WeakPolarHBondContact CD2-O 3.26Å; Y597-W611 AromaticContact CD1-CD1 3.94Å; Y597-W611 AromaticContact CD1-CD2 3.78Å; Y597-W611 HydrophobicContact CD1-CD2 3.78Å; Y597-W611 AromaticContact CD1-CE2 3.47Å; Y597-W611 VanDerWaalsContact CD1-CE2 3.47Å; Y597-W611 HydrophobicContact CD1-CE3 4.38Å; Y597-W611 HydrophobicContact CD1-CG 4.09Å; Y597-W611 HydrophobicContact CD1-CH2 4.45Å; Y597-W611 AromaticContact CD1-CZ2 3.86Å; Y597-W611 HydrophobicContact CD1-CZ2 3.86Å; Y597-W611 AromaticContact CD1-NE1 3.6Å; Y597-W611 HydrophobicContact CD2-CB 4.2Å; Y597-W611 HydrophobicContact CD2-CD2 4.19Å; Y597-W611 AromaticContact CD2-CG 4Å; Y597-W611 HydrophobicContact CD2-CG 4Å; Y597-W611 AromaticContact CE1-CD2 3.76Å; Y597-W611 HydrophobicContact CE1-CD2 3.76Å; Y597-W611 AromaticContact CE1-CE2 3.62Å; Y597-W611 AromaticContact CE1-CE3 3.9Å; Y597-W611 HydrophobicContact CE1-CE3 3.9Å; Y597-W611 HydrophobicContact CE1-CG 4.46Å; Y597-W611 AromaticContact CE1-CH2 3.79Å; Y597-W611 HydrophobicContact CE1-CH2 3.79Å; Y597-W611 AromaticContact CE1-CZ2 3.65Å; Y597-W611 HydrophobicContact CE1-CZ2 3.65Å; Y597-W611 AromaticContact CE1-CZ3 3.91Å; Y597-W611 HydrophobicContact CE1-CZ3 3.91Å; Y597-W611 HydrophobicContact CE2-CD2 4.28Å; Y597-W611 HydrophobicContact CE2-CE3 4.26Å; Y597-W611 HydrophobicContact CE2-CG 4.49Å; Y597-W611 HydrophobicContact CG-CB 4.46Å; Y597-W611 AromaticContact CG-CD1 3.76Å; Y597-W611 HydrophobicContact CG-CD2 4Å; Y597-W611 AromaticContact CG-CG 3.84Å; Y597-W611 HydrophobicContact CG-CG 3.84Å; Y597-W611 AromaticContact CG-NE1 3.91Å; Y597-W611 AromaticContact CZ-CE3 3.85Å; Y597-E637 PolarHBondContact N-OE1 2.7Å; Y597-E637 PolarHBondContact N-OE2 3.45Å; Y597-K638 HydrophobicContact CD2-CD 4.42Å; Y597-K638 HydrophobicContact CE2-CD 4.42Å; Y597-K638 HydrophobicContact CG-CD 4.45Å; Y597-K638 WeakPolarHBondContact O-CB 3.33Å; Y597-K638 PolarHBondContact O-N 2.9Å
598	G	97.9	Very high	96.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	-158.1	-178.3	0	0	0	0	0	115.6	R609 Y610 F636	G598-R609 WeakPolarHBondContact O-CA 3.27Å; G598-Y610 VanDerWaalsContact C-CD1 3.4Å; G598-Y610 PolarHBondContact N-O 2.95Å; G598-Y610 VanDerWaalsContact N-O 3.1Å; G598-Y610 WeakPolarHBondContact O-CD1 2.91Å; G598-Y610 PolarHBondContact O-N 2.61Å; G598-F636 CarbonylContact C-O 3.59Å; G598-F636 WeakPolarHBondContact CA-O 3.44Å
599	F	98.5	Very high	96.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146.5	179.6	-69.4	-97.9	0	0	0	110.5	F349 F454 F601 G608 R609 L635 F636	F349-F599 HydrophobicContact CD1-CD1 4.35Å; F349-F599 AromaticContact CD1-CE1 3.52Å; F349-F599 HydrophobicContact CD1-CE1 3.52Å; F349-F599 AromaticContact CD1-CZ 3.86Å; F349-F599 HydrophobicContact CD1-CZ 3.86Å; F349-F599 AromaticContact CE1-CD1 3.74Å; F349-F599 HydrophobicContact CE1-CD1 3.74Å; F349-F599 HydrophobicContact CE1-CD2 4.49Å; F349-F599 AromaticContact CE1-CE1 3.17Å; F349-F599 HydrophobicContact CE1-CE1 3.17Å; F349-F599 HydrophobicContact CE1-CE2 4.06Å; F349-F599 HydrophobicContact CE1-CG 4.36Å; F349-F599 AromaticContact CE1-CZ 3.37Å; F349-F599 HydrophobicContact CE1-CZ 3.37Å; F349-F599 HydrophobicContact CZ-CD1 4.18Å; F349-F599 HydrophobicContact CZ-CE1 4.06Å; F349-F599 HydrophobicContact CZ-CZ 4.41Å; F454-F599 AromaticContact CE2-CD2 3.94Å; F454-F599 HydrophobicContact CE2-CD2 3.94Å; F454-F599 AromaticContact CE2-CE2 3.75Å; F454-F599 HydrophobicContact CE2-CE2 3.75Å; F454-F599 AromaticContact CZ-CD2 3.9Å; F454-F599 HydrophobicContact CZ-CD2 3.9Å; F454-F599 AromaticContact CZ-CE2 3.49Å; F454-F599 HydrophobicContact CZ-CE2 3.49Å; F454-F599 VanDerWaalsContact CZ-CE2 3.49Å; F454-F599 HydrophobicContact CZ-CZ 4.45Å; F599-F601 HydrophobicContact CB-CE2 3.62Å; F599-F601 HydrophobicContact CB-CZ 3.82Å; F599-G608 WeakPolarHBondContact CA-O 3.5Å; F599-R609 HydrophobicContact CD1-CB 4.2Å; F599-R609 HydrophobicContact CE1-CB 3.69Å; F599-R609 HydrophobicContact CE1-CG 4.39Å; F599-R609 HydrophobicContact CE2-CG 4.43Å; F599-R609 HydrophobicContact CZ-CB 3.89Å; F599-R609 HydrophobicContact CZ-CG 4.1Å; F599-L635 CarbonylContact O-C 3.6Å; F599-L635 WeakPolarHBondContact O-CA 3.45Å; F599-F636 PolarHBondContact N-O 3.23Å; F599-F636 PolarHBondContact O-N 2.73Å
600	V	98.5	Very high	96.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	136	176.9	-175.1	0	0	0	0	110.6	L590 L592 I602 L607 G608 Y610 L619 V633 L635	L590-V600 HydrophobicContact CD1-CG1 3.87Å; L592-V600 HydrophobicContact CD1-CG2 4.09Å; L592-V600 HydrophobicContact CD2-CG2 3.61Å; L592-V600 HydrophobicContact CG-CG2 4.49Å; V600-I602 HydrophobicContact CG1-CD1 4.21Å; V600-L607 HydrophobicContact CB-CD1 4.32Å; V600-L607 HydrophobicContact CG1-CD1 4Å; V600-L607 WeakPolarHBondContact O-CB 3.4Å; V600-L607 PolarHBondContact O-N 2.94Å; V600-G608 PolarHBondContact N-O 2.88Å; V600-Y610 HydrophobicContact CG2-CD1 3.97Å; V600-Y610 HydrophobicContact CG2-CE1 4.25Å; V600-L619 HydrophobicContact CB-CD1 3.89Å; V600-L619 HydrophobicContact CG2-CD1 3.71Å; V600-V633 HydrophobicContact CG1-CG1 3.98Å; V600-L635 HydrophobicContact CG2-CD1 4.18Å; V600-L635 HydrophobicContact CG2-CG 4.43Å
601	F	98.3	Very high	96.7	Very high	1 Å²	1	22 Å²	22	0%	0.004	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	127.7	179.8	-53.9	-95.8	0	0	0	109.9	M549 F554 F599 R605 N606 V633 I634 F636	M549-F601 HydrophobicContact CB-CE1 3.97Å; M549-F601 HydrophobicContact CB-CZ 3.91Å; M549-F601 HydrophobicContact CG-CZ 4.37Å; M549-F601 HydrophobicContact SD-CE2 4.32Å; M549-F601 HydrophobicContact SD-CZ 3.73Å; F554-F601 HydrophobicContact CD2-CD1 4.17Å; F554-F601 HydrophobicContact CE1-CD1 4.43Å; F554-F601 HydrophobicContact CE1-CD2 4.07Å; F554-F601 HydrophobicContact CE1-CE2 4.37Å; F554-F601 HydrophobicContact CE1-CG 4.13Å; F554-F601 HydrophobicContact CE2-CB 4.36Å; F554-F601 AromaticContact CE2-CD1 3.16Å; F554-F601 HydrophobicContact CE2-CD1 3.16Å; F554-F601 HydrophobicContact CE2-CD2 4.22Å; F554-F601 AromaticContact CE2-CE1 3.32Å; F554-F601 HydrophobicContact CE2-CE1 3.32Å; F554-F601 HydrophobicContact CE2-CE2 4.36Å; F554-F601 AromaticContact CE2-CG 3.66Å; F554-F601 HydrophobicContact CE2-CG 3.66Å; F554-F601 AromaticContact CE2-CZ 3.97Å; F554-F601 HydrophobicContact CE2-CZ 3.97Å; F554-F601 HydrophobicContact CZ-CB 4.23Å; F554-F601 AromaticContact CZ-CD1 3.34Å; F554-F601 HydrophobicContact CZ-CD1 3.34Å; F554-F601 AromaticContact CZ-CD2 3.49Å; F554-F601 HydrophobicContact CZ-CD2 3.49Å; F554-F601 VanDerWaalsContact CZ-CD2 3.49Å; F554-F601 AromaticContact CZ-CE1 3.39Å; F554-F601 HydrophobicContact CZ-CE1 3.39Å; F554-F601 AromaticContact CZ-CE2 3.57Å; F554-F601 HydrophobicContact CZ-CE2 3.57Å; F554-F601 AromaticContact CZ-CG 3.4Å; F554-F601 HydrophobicContact CZ-CG 3.4Å; F554-F601 AromaticContact CZ-CZ 3.53Å; F554-F601 HydrophobicContact CZ-CZ 3.53Å; F599-F601 HydrophobicContact CB-CE2 3.62Å; F599-F601 HydrophobicContact CB-CZ 3.82Å; F601-R605 CarbonylContact C-O 3.43Å; F601-R605 WeakPolarHBondContact CA-O 3.17Å; F601-N606 HydrophobicContact CD1-CB 3.59Å; F601-N606 HydrophobicContact CE1-CB 3.48Å; F601-N606 VanDerWaalsContact CE1-CB 3.48Å; F601-N606 WeakPolarHBondContact CE1-ND2 3.5Å; F601-V633 WeakPolarHBondContact O-CA 3.49Å; F601-I634 WeakPolarHBondContact CA-O 3.15Å; F601-I634 HydrophobicContact CB-CB 4.34Å; F601-I634 WeakPolarHBondContact CB-O 3.39Å; F601-I634 WeakPolarHBondContact CD2-O 3.08Å; F601-I634 PolarHBondContact N-O 2.67Å; F601-I634 PolarHBondContact O-N 3.47Å; F601-F636 HydrophobicContact CE2-CB 4.28Å
602	I	97.8	Very high	96.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	118.5	178.2	-57.8	-62.5	0	0	0	109.1	L590 V600 G604 R605 L607 L621 L626 E632 V633	L590-I602 HydrophobicContact CD1-CD1 4.1Å; V600-I602 HydrophobicContact CG1-CD1 4.21Å; I602-G604 PolarHBondContact O-N 2.83Å; I602-G604 VanDerWaalsContact O-N 3.13Å; I602-R605 PolarHBondContact N-O 2.75Å; I602-R605 WeakPolarHBondContact O-CB 3.11Å; I602-R605 PolarHBondContact O-N 3.46Å; I602-L607 HydrophobicContact CD1-CD1 4.3Å; I602-L607 HydrophobicContact CG1-CD1 3.5Å; I602-L607 VanDerWaalsContact CG1-CD1 3.5Å; I602-L607 HydrophobicContact CG1-CD2 4.37Å; I602-L607 HydrophobicContact CG1-CG 3.88Å; I602-L621 HydrophobicContact CB-CD1 4.26Å; I602-L621 HydrophobicContact CD1-CD2 4.21Å; I602-L621 HydrophobicContact CG1-CD1 3.9Å; I602-L621 HydrophobicContact CG1-CD2 4.11Å; I602-L621 HydrophobicContact CG2-CD1 4.13Å; I602-L626 HydrophobicContact CG2-CD2 4.06Å; I602-E632 WeakPolarHBondContact CA-O 3.23Å; I602-V633 HydrophobicContact CD1-CB 4.12Å; I602-V633 HydrophobicContact CD1-CG1 3.85Å; I602-V633 HydrophobicContact CD1-CG2 3.6Å
603	N	96.3	Very high	96.8	Very high	14 Å²	14	29.4 Å²	29.4	8%	0.075	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	37.9	-174.9	-58.5	-45.9	0	0	0	111.9	R605 W625 N631 E632	N603-R605 VanDerWaalsContact C-N 3.3Å; N603-R605 PolarHBondContact O-N 2.04Å; N603-W625 PolarHBondContact ND2-O 3.19Å; N603-N631 PolarHBondContact ND2-OD1 3.44Å; N603-E632 PolarHBondContact N-O 2.91Å; N603-E632 PolarHBondContact OD1-N 2.85Å
604	G	93.8	Very high	97.1	Very high	5 Å²	5	25 Å²	25	5%	0.052	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	1	-176.1	0	0	0	0	0	116.6	M551 I602	M551-G604 VanDerWaalsContact CE-O 3.3Å; M551-G604 WeakPolarHBondContact CE-O 3.24Å; M551-G604 VanDerWaalsContact SD-CA 3.59Å; I602-G604 PolarHBondContact O-N 2.83Å; I602-G604 VanDerWaalsContact O-N 3.13Å
605	R	95.4	Very high	97.3	Very high	124 Å²	124	22.2 Å²	22.2	47%	0.468	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	128.8	172.8	-61.9	178.8	175.4	-88.1	-3.2	110.5	M551 F601 I602 N603 L607 W625	M551-R605 HydrophobicContact CE-CG 4.09Å; F601-R605 CarbonylContact C-O 3.43Å; F601-R605 WeakPolarHBondContact CA-O 3.17Å; I602-R605 PolarHBondContact N-O 2.75Å; I602-R605 WeakPolarHBondContact O-CB 3.11Å; I602-R605 PolarHBondContact O-N 3.46Å; N603-R605 VanDerWaalsContact C-N 3.3Å; N603-R605 PolarHBondContact O-N 2.04Å; R605-L607 PolarHBondContact O-N 2.92Å; R605-W625 HydrophobicContact CB-CD2 4.37Å; R605-W625 HydrophobicContact CB-CE3 3.81Å; R605-W625 HydrophobicContact CB-CZ3 3.94Å
606	N	97.6	Very high	97.4	Very high	23 Å²	23	22.2 Å²	22.2	12%	0.123	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	112.1	179.8	-168.1	-12.6	0	0	0	111	G348 F349 F601 G608	G348-N606 WeakPolarHBondContact CA-ND2 3.34Å; G348-N606 PolarHBondContact N-O 2.77Å; F349-N606 VanDerWaalsContact CE2-ND2 3.32Å; F349-N606 WeakPolarHBondContact CE2-ND2 3.45Å; F601-N606 HydrophobicContact CD1-CB 3.59Å; F601-N606 HydrophobicContact CE1-CB 3.48Å; F601-N606 VanDerWaalsContact CE1-CB 3.48Å; F601-N606 WeakPolarHBondContact CE1-ND2 3.5Å; N606-G608 VanDerWaalsContact C-N 3.31Å; N606-G608 WeakPolarHBondContact OD1-CA 3.38Å; N606-G608 PolarHBondContact OD1-N 2.8Å
607	L	98	Very high	97.4	Very high	1 Å²	1	24 Å²	24	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	-30.9	174.4	-69.7	179.7	0	0	0	111.9	T364 L590 V600 I602 R605 L619 L621 W625	T364-L607 WeakPolarHBondContact CG2-O 3.49Å; L590-L607 HydrophobicContact CD1-CD1 3.67Å; V600-L607 HydrophobicContact CB-CD1 4.32Å; V600-L607 HydrophobicContact CG1-CD1 4Å; V600-L607 WeakPolarHBondContact O-CB 3.4Å; V600-L607 PolarHBondContact O-N 2.94Å; I602-L607 HydrophobicContact CD1-CD1 4.3Å; I602-L607 HydrophobicContact CG1-CD1 3.5Å; I602-L607 VanDerWaalsContact CG1-CD1 3.5Å; I602-L607 HydrophobicContact CG1-CD2 4.37Å; I602-L607 HydrophobicContact CG1-CG 3.88Å; R605-L607 PolarHBondContact O-N 2.92Å; L607-L619 HydrophobicContact CB-CD1 4.32Å; L607-L621 HydrophobicContact CD1-CB 4.36Å; L607-L621 HydrophobicContact CD1-CD1 4.34Å; L607-L621 HydrophobicContact CD2-CD1 3.91Å; L607-W625 HydrophobicContact CD2-CE3 3.61Å; L607-W625 HydrophobicContact CD2-CZ3 3.62Å
608	G	98.1	Very high	97.4	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	122	-167.2	-178.4	0	0	0	0	0	112.5	G348 F599 V600 N606	G348-G608 WeakPolarHBondContact O-CA 3.2Å; F599-G608 WeakPolarHBondContact CA-O 3.5Å; V600-G608 PolarHBondContact N-O 2.88Å; N606-G608 VanDerWaalsContact C-N 3.31Å; N606-G608 WeakPolarHBondContact OD1-CA 3.38Å; N606-G608 PolarHBondContact OD1-N 2.8Å
609	R	98.5	Very high	97.5	Very high	1 Å²	1	24 Å²	24	0%	0.004	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	140.2	-171.7	-177.2	-175.8	-57.8	-150.1	-5.7	112.1	W310 T364 E510 N511 Y597 G598 F599 L619	W310-R609 HydrophobicContact CZ2-CB 4.25Å; W310-R609 HydrophobicContact CZ2-CG 4.1Å; W310-R609 WeakPolarHBondContact CZ2-O 3.38Å; T364-R609 PolarHBondContact OG1-N 3.1Å; T364-R609 PolarHBondContact OG1-O 3.23Å; E510-R609 IonicContact OE1-CZ 2.72Å; E510-R609 IonicContact OE1-NE 3.71Å; E510-R609 IonicContact OE1-NH1 3.09Å; E510-R609 PolarHBondContact OE1-NH1 2.86Å; E510-R609 IonicContact OE1-NH2 2.66Å; E510-R609 PolarHBondContact OE1-NH2 3.13Å; N511-R609 PolarHBondContact O-NH2 2.92Å; Y597-R609 HydrophobicContact CD2-CG 4.32Å; Y597-R609 HydrophobicContact CE2-CG 3.81Å; Y597-R609 PolarHBondContact OH-NH1 3.05Å; G598-R609 WeakPolarHBondContact O-CA 3.27Å; F599-R609 HydrophobicContact CD1-CB 4.2Å; F599-R609 HydrophobicContact CE1-CB 3.69Å; F599-R609 HydrophobicContact CE1-CG 4.39Å; F599-R609 HydrophobicContact CE2-CG 4.43Å; F599-R609 HydrophobicContact CZ-CB 3.89Å; F599-R609 HydrophobicContact CZ-CG 4.1Å; R609-L619 WeakPolarHBondContact O-CD2 3.38Å
610	Y	98.3	Very high	97.5	Very high	9 Å²	9	24.2 Å²	24.2	4%	0.035	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	149.4	159.6	73.1	-88.2	0	0	0	110.1	L592 W595 Y597 G598 V600 L635 E637	L592-Y610 HydrophobicContact CB-CD2 3.9Å; L592-Y610 HydrophobicContact CB-CE2 4.41Å; L592-Y610 HydrophobicContact CB-CG 4.03Å; L592-Y610 HydrophobicContact CD1-CD1 4.27Å; L592-Y610 HydrophobicContact CD1-CG 4.07Å; L592-Y610 HydrophobicContact CD2-CD1 3.71Å; L592-Y610 HydrophobicContact CD2-CD2 4.29Å; L592-Y610 HydrophobicContact CD2-CE1 3.79Å; L592-Y610 HydrophobicContact CD2-CE2 4.4Å; L592-Y610 HydrophobicContact CD2-CG 3.97Å; L592-Y610 HydrophobicContact CG-CD1 4.41Å; L592-Y610 HydrophobicContact CG-CG 4.23Å; W595-Y610 HydrophobicContact CB-CD2 4.28Å; W595-Y610 HydrophobicContact CB-CE2 3.39Å; W595-Y610 HydrophobicContact CG-CE2 4.45Å; Y597-Y610 WeakPolarHBondContact CD2-O 3.26Å; G598-Y610 VanDerWaalsContact C-CD1 3.4Å; G598-Y610 PolarHBondContact N-O 2.95Å; G598-Y610 VanDerWaalsContact N-O 3.1Å; G598-Y610 WeakPolarHBondContact O-CD1 2.91Å; G598-Y610 PolarHBondContact O-N 2.61Å; V600-Y610 HydrophobicContact CG2-CD1 3.97Å; V600-Y610 HydrophobicContact CG2-CE1 4.25Å; Y610-L635 HydrophobicContact CE1-CD1 3.91Å; Y610-L635 HydrophobicContact CE1-CD2 4.43Å; Y610-L635 HydrophobicContact CE1-CG 4.04Å; Y610-E637 PolarHBondContact OH-OE2 3.4Å
611	W	97.7	Very high	97.5	Very high	49 Å²	49	24.2 Å²	24.2	19%	0.186	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	127.2	174.5	-162.1	-8.8	0	0	0	109.9	W310 M474 Y597 I613 G614	W310-W611 HydrophobicContact CB-CE3 3.79Å; W310-W611 HydrophobicContact CB-CZ3 4.08Å; W310-W611 HydrophobicContact CD2-CB 4.03Å; W310-W611 HydrophobicContact CD2-CE3 4.2Å; W310-W611 HydrophobicContact CE3-CB 3.63Å; W310-W611 AromaticContact CG-CE3 3.77Å; W310-W611 HydrophobicContact CG-CE3 3.77Å; W310-W611 HydrophobicContact CG-CZ3 4.36Å; W310-W611 HydrophobicContact CH2-CB 4.32Å; W310-W611 HydrophobicContact CZ3-CB 3.8Å; M474-W611 HydrophobicContact CE-CH2 4.15Å; M474-W611 HydrophobicContact CE-CZ2 4.35Å; Y597-W611 AromaticContact CD1-CD1 3.94Å; Y597-W611 AromaticContact CD1-CD2 3.78Å; Y597-W611 HydrophobicContact CD1-CD2 3.78Å; Y597-W611 AromaticContact CD1-CE2 3.47Å; Y597-W611 VanDerWaalsContact CD1-CE2 3.47Å; Y597-W611 HydrophobicContact CD1-CE3 4.38Å; Y597-W611 HydrophobicContact CD1-CG 4.09Å; Y597-W611 HydrophobicContact CD1-CH2 4.45Å; Y597-W611 AromaticContact CD1-CZ2 3.86Å; Y597-W611 HydrophobicContact CD1-CZ2 3.86Å; Y597-W611 AromaticContact CD1-NE1 3.6Å; Y597-W611 HydrophobicContact CD2-CB 4.2Å; Y597-W611 HydrophobicContact CD2-CD2 4.19Å; Y597-W611 AromaticContact CD2-CG 4Å; Y597-W611 HydrophobicContact CD2-CG 4Å; Y597-W611 AromaticContact CE1-CD2 3.76Å; Y597-W611 HydrophobicContact CE1-CD2 3.76Å; Y597-W611 AromaticContact CE1-CE2 3.62Å; Y597-W611 AromaticContact CE1-CE3 3.9Å; Y597-W611 HydrophobicContact CE1-CE3 3.9Å; Y597-W611 HydrophobicContact CE1-CG 4.46Å; Y597-W611 AromaticContact CE1-CH2 3.79Å; Y597-W611 HydrophobicContact CE1-CH2 3.79Å; Y597-W611 AromaticContact CE1-CZ2 3.65Å; Y597-W611 HydrophobicContact CE1-CZ2 3.65Å; Y597-W611 AromaticContact CE1-CZ3 3.91Å; Y597-W611 HydrophobicContact CE1-CZ3 3.91Å; Y597-W611 HydrophobicContact CE2-CD2 4.28Å; Y597-W611 HydrophobicContact CE2-CE3 4.26Å; Y597-W611 HydrophobicContact CE2-CG 4.49Å; Y597-W611 HydrophobicContact CG-CB 4.46Å; Y597-W611 AromaticContact CG-CD1 3.76Å; Y597-W611 HydrophobicContact CG-CD2 4Å; Y597-W611 AromaticContact CG-CG 3.84Å; Y597-W611 HydrophobicContact CG-CG 3.84Å; Y597-W611 AromaticContact CG-NE1 3.91Å; Y597-W611 AromaticContact CZ-CE3 3.85Å; W611-I613 HydrophobicContact CB-CG1 4.31Å; W611-I613 HydrophobicContact CD2-CD1 3.58Å; W611-I613 HydrophobicContact CD2-CG1 3.67Å; W611-I613 VanDerWaalsContact CE2-CD1 3.5Å; W611-I613 HydrophobicContact CE3-CD1 3.8Å; W611-I613 HydrophobicContact CE3-CG1 4.21Å; W611-I613 HydrophobicContact CG-CD1 4.18Å; W611-I613 HydrophobicContact CG-CG1 3.7Å; W611-I613 HydrophobicContact CH2-CD1 3.9Å; W611-I613 HydrophobicContact CZ2-CD1 3.67Å; W611-I613 HydrophobicContact CZ2-CG1 4.49Å; W611-I613 HydrophobicContact CZ3-CD1 3.96Å; W611-I613 PolarHBondContact O-N 3.35Å; W611-G614 PolarHBondContact O-N 3.37Å; W611-G614 VanDerWaalsContact O-N 3.13Å
612	N	96.1	Very high	97.5	Very high	90 Å²	90	24.2 Å²	24.2	48%	0.481	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-11.8	-177.3	68	-7.2	0	0	0	115.2	N596 G614	N596-N612 WeakPolarHBondContact O-CB 3.31Å; N596-N612 PolarHBondContact O-N 2.84Å; N596-N612 PolarHBondContact O-OD1 3Å; N596-N612 PolarHBondContact OD1-ND2 2.88Å; N612-G614 PolarHBondContact O-N 3.46Å
613	I	96.9	Very high	97.5	Very high	81 Å²	81	25 Å²	25	42%	0.415	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-9.8	175.3	67.7	173.6	0	0	0	113.2	W310 W611	W310-I613 HydrophobicContact CB-CD1 4Å; W310-I613 HydrophobicContact CB-CG1 4.34Å; W611-I613 HydrophobicContact CB-CG1 4.31Å; W611-I613 HydrophobicContact CD2-CD1 3.58Å; W611-I613 HydrophobicContact CD2-CG1 3.67Å; W611-I613 VanDerWaalsContact CE2-CD1 3.5Å; W611-I613 HydrophobicContact CE3-CD1 3.8Å; W611-I613 HydrophobicContact CE3-CG1 4.21Å; W611-I613 HydrophobicContact CG-CD1 4.18Å; W611-I613 HydrophobicContact CG-CG1 3.7Å; W611-I613 HydrophobicContact CH2-CD1 3.9Å; W611-I613 HydrophobicContact CZ2-CD1 3.67Å; W611-I613 HydrophobicContact CZ2-CG1 4.49Å; W611-I613 HydrophobicContact CZ3-CD1 3.96Å; W611-I613 PolarHBondContact O-N 3.35Å
614	G	97.1	Very high	97.6	Very high	4 Å²	4	27.4 Å²	27.4	4%	0.041	14%	0.136	C	C	.	.	S	Bend	trans	68.8	-166.8	177.3	0	0	0	0	0	114	W310 G311 W611 N612	W310-G614 CarbonylContact C-O 3.57Å; W310-G614 WeakPolarHBondContact CA-O 3.32Å; W310-G614 VanDerWaalsContact CE3-O 3.26Å; G311-G614 PolarHBondContact N-O 2.82Å; W611-G614 PolarHBondContact O-N 3.37Å; W611-G614 VanDerWaalsContact O-N 3.13Å; N612-G614 PolarHBondContact O-N 3.46Å
615	P	97.4	Very high	97.8	Very high	15 Å²	15	28.9 Å²	28.9	10%	0.097	14%	0.141	C	C	.	.	S	Bend	cis	-72.4	-30.4	6	31.7	-35.9	0	0	0	112	D308 R309 D312 H314 Q617 L653	D308-P615 HydrophobicContact CB-CG 3.91Å; R309-P615 VanDerWaalsContact O-CD 3.24Å; R309-P615 WeakPolarHBondContact O-CD 3.48Å; D312-P615 WeakPolarHBondContact O-CB 3.46Å; D312-P615 VanDerWaalsContact O-CD 3.28Å; D312-P615 WeakPolarHBondContact O-CD 3.39Å; D312-P615 WeakPolarHBondContact O-CG 3.38Å; H314-P615 HydrophobicContact CB-CB 4.22Å; P615-Q617 PolarHBondContact O-N 3.4Å; P615-L653 WeakPolarHBondContact CB-OXT 3.5Å; P615-L653 CarbonylContact O-C 3.55Å; P615-L653 VanDerWaalsContact O-OXT 3.11Å
616	Q	98.3	Very high	97.9	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.019	12%	0.123	C	C	.	.			trans	-61.7	126	176.6	-179.3	178.2	11.5	0	0	112.4	W310 V363 T618 L653	W310-Q616 HydrophobicContact CH2-CB 3.99Å; W310-Q616 HydrophobicContact CH2-CG 4.32Å; W310-Q616 HydrophobicContact CZ3-CB 4Å; W310-Q616 WeakPolarHBondContact CZ3-O 3.46Å; V363-Q616 HydrophobicContact CB-CB 4.3Å; V363-Q616 HydrophobicContact CG2-CB 4.48Å; Q616-T618 WeakPolarHBondContact CG-O 3.46Å; Q616-T618 PolarHBondContact NE2-O 2.95Å; Q616-L653 HydrophobicContact CG-CD2 4.07Å; Q616-L653 PolarHBondContact N-OXT 2.9Å; Q616-L653 VanDerWaalsContact N-OXT 3.13Å
617	Q	97.1	Very high	97.9	Very high	80 Å²	80	30 Å²	30	37%	0.374	14%	0.144	S	C	.	.			trans	-119.2	-9.7	179.4	-70.8	171.6	44.1	0	0	113.5	L593 P615 M652	L593-Q617 HydrophobicContact CD2-CB 3.96Å; L593-Q617 HydrophobicContact CD2-CG 4.08Å; P615-Q617 PolarHBondContact O-N 3.4Å; Q617-M652 HydrophobicContact CB-CB 3.92Å; Q617-M652 PolarHBondContact N-O 2.81Å
618	T	98.4	Very high	97.9	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.9	177.5	58.1	0	0	0	0	112.9	F589 L590 Q616 P651 M652	F589-T618 HydrophobicContact CB-CG2 4.36Å; L590-T618 CarbonylContact O-C 3.49Å; L590-T618 WeakPolarHBondContact O-CA 3.37Å; Q616-T618 WeakPolarHBondContact CG-O 3.46Å; Q616-T618 PolarHBondContact NE2-O 2.95Å; T618-P651 WeakPolarHBondContact OG1-CA 3.44Å; T618-M652 HydrophobicContact CG2-CB 4.02Å; T618-M652 HydrophobicContact CG2-CG 4.22Å; T618-M652 PolarHBondContact N-O 3.27Å; T618-M652 PolarHBondContact OG1-N 2.78Å; T618-M652 PolarHBondContact OG1-O 3.19Å
619	L	98.9	Very high	97.9	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.6	171.9	-72.4	179.2	0	0	0	111.1	T364 F589 L590 L592 V600 L607 R609 L621	T364-L619 HydrophobicContact CG2-CD2 3.63Å; F589-L619 CarbonylContact C-O 3.43Å; F589-L619 VanDerWaalsContact CA-O 3.32Å; F589-L619 WeakPolarHBondContact CA-O 3.34Å; L590-L619 HydrophobicContact CB-CB 4.47Å; L590-L619 PolarHBondContact N-O 3.37Å; L590-L619 PolarHBondContact O-N 2.89Å; L592-L619 HydrophobicContact CD1-CB 4.48Å; L592-L619 HydrophobicContact CD1-CD1 3.95Å; L592-L619 HydrophobicContact CD1-CG 4.08Å; V600-L619 HydrophobicContact CB-CD1 3.89Å; V600-L619 HydrophobicContact CG2-CD1 3.71Å; L607-L619 HydrophobicContact CB-CD1 4.32Å; R609-L619 WeakPolarHBondContact O-CD2 3.38Å; L619-L621 PolarHBondContact O-N 2.66Å
620	Y	98.9	Very high	97.8	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	127.8	173.1	174.3	-127.7	0	0	0	111.4	Y103 F347 E374 A375 D587 F589 P622	Y103-Y620 WeakPolarHBondContact CE2-OH 3.29Å; F347-Y620 HydrophobicContact CZ-CD1 4.25Å; E374-Y620 HydrophobicContact CG-CD1 4.16Å; E374-Y620 HydrophobicContact CG-CG 4.23Å; E374-Y620 WeakPolarHBondContact OE1-CB 3.45Å; A375-Y620 HydrophobicContact CB-CD2 4Å; A375-Y620 HydrophobicContact CB-CE2 3.58Å; D587-Y620 HydrophobicContact CB-CE2 4Å; D587-Y620 VanDerWaalsContact CG-OH 3.28Å; D587-Y620 WeakPolarHBondContact OD2-CE2 3.33Å; D587-Y620 PolarHBondContact OD2-OH 3.46Å; F589-Y620 HydrophobicContact CD1-CD2 4.03Å; F589-Y620 HydrophobicContact CD1-CG 4.46Å; F589-Y620 AromaticContact CE1-CD2 3.61Å; F589-Y620 HydrophobicContact CE1-CD2 3.61Å; F589-Y620 HydrophobicContact CE1-CG 4.11Å; F589-Y620 HydrophobicContact CZ-CD2 4.21Å; Y620-P622 HydrophobicContact CE1-CB 3.95Å; Y620-P622 HydrophobicContact CE1-CG 4.39Å
621	L	98.8	Very high	97.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	102.9	175.1	172.9	48.7	0	0	0	109.4	L579 T588 L590 I602 L607 L619 W625 L626	L579-L621 HydrophobicContact CD2-CD2 3.8Å; T588-L621 HydrophobicContact CG2-CB 3.8Å; T588-L621 HydrophobicContact CG2-CD2 3.9Å; T588-L621 HydrophobicContact CG2-CG 4.02Å; T588-L621 PolarHBondContact N-O 2.92Å; T588-L621 PolarHBondContact O-N 2.91Å; L590-L621 HydrophobicContact CD1-CD2 4.1Å; L590-L621 HydrophobicContact CD2-CD2 3.96Å; L590-L621 HydrophobicContact CG-CB 4.3Å; L590-L621 HydrophobicContact CG-CD2 4.1Å; I602-L621 HydrophobicContact CB-CD1 4.26Å; I602-L621 HydrophobicContact CD1-CD2 4.21Å; I602-L621 HydrophobicContact CG1-CD1 3.9Å; I602-L621 HydrophobicContact CG1-CD2 4.11Å; I602-L621 HydrophobicContact CG2-CD1 4.13Å; L607-L621 HydrophobicContact CD1-CB 4.36Å; L607-L621 HydrophobicContact CD1-CD1 4.34Å; L607-L621 HydrophobicContact CD2-CD1 3.91Å; L619-L621 PolarHBondContact O-N 2.66Å; L621-W625 HydrophobicContact CD1-CB 4.45Å; L621-L626 HydrophobicContact CD1-CD2 4.35Å; L621-L626 HydrophobicContact CD1-CG 4.34Å; L621-L626 HydrophobicContact CD2-CD1 4.45Å; L621-L626 HydrophobicContact CD2-CD2 4.01Å; L621-L626 HydrophobicContact CD2-CG 4.47Å; L621-L626 HydrophobicContact CG-CD1 4.36Å; L621-L626 HydrophobicContact CG-CD2 4.38Å; L621-L626 HydrophobicContact CG-CG 4.36Å
622	P	98.4	Very high	97.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.211	C	C	.	.			trans	-70.7	136.5	178.2	28.5	-34.5	0	0	0	111.3	P100 Y103 F347 D587 Y620 V624 W625	P100-P622 HydrophobicContact CG-CB 4Å; P100-P622 HydrophobicContact CG-CG 3.98Å; Y103-P622 HydrophobicContact CE2-CB 3.78Å; F347-P622 HydrophobicContact CZ-CG 4.26Å; D587-P622 WeakPolarHBondContact OD1-CA 3.2Å; Y620-P622 HydrophobicContact CE1-CB 3.95Å; Y620-P622 HydrophobicContact CE1-CG 4.39Å; P622-V624 HydrophobicContact CB-CG2 4Å; P622-V624 PolarHBondContact O-N 2.84Å; P622-V624 VanDerWaalsContact O-N 3.11Å; P622-W625 HydrophobicContact CG-CB 4.32Å; P622-W625 HydrophobicContact CG-CD2 3.74Å; P622-W625 HydrophobicContact CG-CE3 4.21Å; P622-W625 HydrophobicContact CG-CG 3.81Å; P622-W625 PolarHBondContact O-N 2.78Å
623	A	98.3	Very high	97.9	Very high	16 Å²	16	37.5 Å²	37.5	13%	0.132	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-53.8	-34.4	179.2	0	0	0	0	0	112.7	Y103 D587 W625 L626	Y103-A623 WeakPolarHBondContact OH-CB 3.37Å; Y103-A623 PolarHBondContact OH-N 2.71Å; D587-A623 WeakPolarHBondContact OD1-CB 3.35Å; D587-A623 PolarHBondContact OD1-N 2.99Å; A623-W625 PolarHBondContact O-N 2.79Å; A623-W625 VanDerWaalsContact O-N 3.11Å; A623-L626 WeakPolarHBondContact O-CA 3.44Å; A623-L626 WeakPolarHBondContact O-CB 3.22Å; A623-L626 PolarHBondContact O-N 3.03Å
624	V	97.8	Very high	98	Very high	65 Å²	65	33.7 Å²	33.7	39%	0.394	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-68.1	-7.7	-178.7	-64.7	0	0	0	0	113.6	P100 A102 Y103 P622	P100-V624 HydrophobicContact CB-CG2 3.74Å; P100-V624 HydrophobicContact CG-CG2 4.3Å; A102-V624 HydrophobicContact CB-CB 4.17Å; A102-V624 HydrophobicContact CB-CG1 3.63Å; A102-V624 HydrophobicContact CB-CG2 4.39Å; Y103-V624 HydrophobicContact CD1-CG1 4.27Å; Y103-V624 HydrophobicContact CD2-CG2 4.5Å; Y103-V624 HydrophobicContact CE1-CG1 3.52Å; Y103-V624 HydrophobicContact CE1-CG2 4.41Å; Y103-V624 HydrophobicContact CE2-CG2 4.05Å; P622-V624 HydrophobicContact CB-CG2 4Å; P622-V624 PolarHBondContact O-N 2.84Å; P622-V624 VanDerWaalsContact O-N 3.11Å
625	W	97.7	Very high	98	Very high	37 Å²	37	33.5 Å²	33.5	14%	0.14	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-99.7	-6.9	170.8	-67.2	8.1	0	0	0	112.8	F347 N603 R605 L607 L621 P622 A623	F347-W625 HydrophobicContact CB-CH2 4.07Å; F347-W625 AromaticContact CD1-CH2 3.35Å; F347-W625 HydrophobicContact CD1-CH2 3.35Å; F347-W625 HydrophobicContact CD1-CZ2 4.24Å; F347-W625 AromaticContact CD1-CZ3 3.74Å; F347-W625 HydrophobicContact CD1-CZ3 3.74Å; F347-W625 HydrophobicContact CD2-CH2 4Å; F347-W625 HydrophobicContact CD2-CZ2 4.24Å; F347-W625 AromaticContact CE1-CH2 3.67Å; F347-W625 HydrophobicContact CE1-CH2 3.67Å; F347-W625 HydrophobicContact CE1-CZ2 4.26Å; F347-W625 AromaticContact CE1-CZ3 3.93Å; F347-W625 HydrophobicContact CE1-CZ3 3.93Å; F347-W625 HydrophobicContact CE2-CH2 4.27Å; F347-W625 HydrophobicContact CE2-CZ2 4.26Å; F347-W625 AromaticContact CG-CH2 3.54Å; F347-W625 HydrophobicContact CG-CH2 3.54Å; F347-W625 HydrophobicContact CG-CZ2 4.23Å; F347-W625 HydrophobicContact CG-CZ3 4.35Å; F347-W625 HydrophobicContact CZ-CH2 4.12Å; F347-W625 HydrophobicContact CZ-CZ2 4.27Å; N603-W625 PolarHBondContact ND2-O 3.19Å; R605-W625 HydrophobicContact CB-CD2 4.37Å; R605-W625 HydrophobicContact CB-CE3 3.81Å; R605-W625 HydrophobicContact CB-CZ3 3.94Å; L607-W625 HydrophobicContact CD2-CE3 3.61Å; L607-W625 HydrophobicContact CD2-CZ3 3.62Å; L621-W625 HydrophobicContact CD1-CB 4.45Å; P622-W625 HydrophobicContact CG-CB 4.32Å; P622-W625 HydrophobicContact CG-CD2 3.74Å; P622-W625 HydrophobicContact CG-CE3 4.21Å; P622-W625 HydrophobicContact CG-CG 3.81Å; P622-W625 PolarHBondContact O-N 2.78Å; A623-W625 PolarHBondContact O-N 2.79Å; A623-W625 VanDerWaalsContact O-N 3.11Å
626	L	98.3	Very high	98.1	Very high	17 Å²	17	32.8 Å²	32.8	9%	0.089	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-90.1	147.9	173.4	-64.2	171.6	0	0	0	110.7	Y409 L579 A581 P585 I602 L621 A623 N631	Y409-L626 HydrophobicContact CE2-CD1 3.98Å; L579-L626 HydrophobicContact CD2-CD2 3.93Å; A581-L626 HydrophobicContact CB-CD1 4.21Å; P585-L626 HydrophobicContact CB-CB 3.59Å; P585-L626 HydrophobicContact CB-CD1 3.85Å; P585-L626 HydrophobicContact CB-CG 4.36Å; P585-L626 HydrophobicContact CG-CB 4Å; I602-L626 HydrophobicContact CG2-CD2 4.06Å; L621-L626 HydrophobicContact CD1-CD2 4.35Å; L621-L626 HydrophobicContact CD1-CG 4.34Å; L621-L626 HydrophobicContact CD2-CD1 4.45Å; L621-L626 HydrophobicContact CD2-CD2 4.01Å; L621-L626 HydrophobicContact CD2-CG 4.47Å; L621-L626 HydrophobicContact CG-CD1 4.36Å; L621-L626 HydrophobicContact CG-CD2 4.38Å; L621-L626 HydrophobicContact CG-CG 4.36Å; A623-L626 WeakPolarHBondContact O-CA 3.44Å; A623-L626 WeakPolarHBondContact O-CB 3.22Å; A623-L626 PolarHBondContact O-N 3.03Å; L626-N631 VanDerWaalsContact CA-OD1 3.31Å; L626-N631 WeakPolarHBondContact CA-OD1 3.23Å; L626-N631 HydrophobicContact CD2-CB 3.99Å
627	R	97.8	Very high	98	Very high	154 Å²	154	32.6 Å²	32.6	58%	0.581	16%	0.162	S	C	*	.	P	Polyproline II helix	trans	-99.5	155.1	166.1	-60.1	173.6	-175.3	173.7	1.4	108.1	P585 N631	P585-R627 WeakPolarHBondContact CG-O 3.4Å; R627-N631 PolarHBondContact N-OD1 3.04Å; R627-N631 PolarHBondContact O-ND2 2.81Å
628	P	97.7	Very high	98	Very high	86 Å²	86	28.9 Å²	28.9	56%	0.558	15%	0.145	S	C	*	.	S	Bend	trans	-52.3	141.8	166.3	-26.3	36	0	0	0	111.1	D630	P628-D630 PolarHBondContact O-N 2.77Å
629	E	97	Very high	97.8	Very high	94 Å²	94	31.9 Å²	31.9	44%	0.439	16%	0.16	S	C	.	.	S	Bend	trans	64.6	-112.9	-178.9	-50.8	-55.2	148.1	0	0	113.7	A581 G582 P583 N631	A581-E629 PolarHBondContact N-O 2.72Å; G582-E629 PolarHBondContact O-N 2.9Å; P583-E629 VanDerWaalsContact CA-OE1 3.23Å; P583-E629 WeakPolarHBondContact CA-OE1 3.4Å; P583-E629 WeakPolarHBondContact CB-OE1 3.49Å; P583-E629 VanDerWaalsContact CD-OE1 3.29Å; P583-E629 WeakPolarHBondContact CD-OE1 3.37Å; E629-N631 PolarHBondContact O-ND2 3.4Å; E629-N631 VanDerWaalsContact O-ND2 3.11Å
630	D	97.9	Very high	97.7	Very high	97 Å²	97	35.3 Å²	35.3	52%	0.519	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	131.1	-166.2	-74.3	-17.9	0	0	0	112	T578 P628	T578-D630 HydrophobicContact CG2-CB 3.61Å; P628-D630 PolarHBondContact O-N 2.77Å
631	N	98.3	Very high	97.4	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.4	179.7	-71.8	-92.8	0	0	0	110.2	T578 L579 N603 L626 R627 E629 V633	T578-N631 CarbonylContact C-O 3.58Å; T578-N631 WeakPolarHBondContact CA-O 3.5Å; L579-N631 HydrophobicContact CB-CB 4.28Å; L579-N631 PolarHBondContact N-O 2.84Å; L579-N631 PolarHBondContact O-N 3.18Å; N603-N631 PolarHBondContact ND2-OD1 3.44Å; L626-N631 VanDerWaalsContact CA-OD1 3.31Å; L626-N631 WeakPolarHBondContact CA-OD1 3.23Å; L626-N631 HydrophobicContact CD2-CB 3.99Å; R627-N631 PolarHBondContact N-OD1 3.04Å; R627-N631 PolarHBondContact O-ND2 2.81Å; E629-N631 PolarHBondContact O-ND2 3.4Å; E629-N631 VanDerWaalsContact O-ND2 3.11Å; N631-V633 PolarHBondContact O-N 3.01Å
632	E	97.7	Very high	97.2	Very high	25 Å²	25	36.7 Å²	36.7	12%	0.117	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	129.2	175.8	178.5	-179.5	-104	0	0	109.7	R558 R576 I602 N603 I634	R558-E632 IonicContact CZ-OE2 3.58Å; R558-E632 VanDerWaalsContact CZ-OE2 3.24Å; R558-E632 IonicContact NE-OE1 3.27Å; R558-E632 PolarHBondContact NE-OE1 2.77Å; R558-E632 IonicContact NE-OE2 3.24Å; R558-E632 PolarHBondContact NE-OE2 2.94Å; R558-E632 IonicContact NH2-OE2 3.2Å; R558-E632 PolarHBondContact NH2-OE2 3.14Å; R576-E632 IonicContact CZ-OE1 3Å; R576-E632 VanDerWaalsContact CZ-OE1 3.24Å; R576-E632 IonicContact NE-OE1 2.66Å; R576-E632 PolarHBondContact NE-OE1 2.88Å; R576-E632 IonicContact NH2-OE1 2.7Å; R576-E632 PolarHBondContact NH2-OE1 3.17Å; I602-E632 WeakPolarHBondContact CA-O 3.23Å; N603-E632 PolarHBondContact N-O 2.91Å; N603-E632 PolarHBondContact OD1-N 2.85Å; E632-I634 HydrophobicContact CG-CD1 4.38Å; E632-I634 HydrophobicContact CG-CG1 4.06Å
633	V	98.1	Very high	96.9	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.018	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.3	167.3	-171.1	0	0	0	0	108.3	M412 R576 G577 L579 V600 F601 I602 N631 I645	M412-V633 HydrophobicContact CE-CB 3.63Å; M412-V633 HydrophobicContact CE-CG1 3.59Å; M412-V633 HydrophobicContact CE-CG2 4.02Å; R576-V633 WeakPolarHBondContact CA-O 3.49Å; G577-V633 PolarHBondContact N-O 3.48Å; G577-V633 PolarHBondContact O-N 3.25Å; L579-V633 HydrophobicContact CB-CG2 3.59Å; V600-V633 HydrophobicContact CG1-CG1 3.98Å; F601-V633 WeakPolarHBondContact O-CA 3.49Å; I602-V633 HydrophobicContact CD1-CB 4.12Å; I602-V633 HydrophobicContact CD1-CG1 3.85Å; I602-V633 HydrophobicContact CD1-CG2 3.6Å; N631-V633 PolarHBondContact O-N 3.01Å; V633-I645 HydrophobicContact CG1-CD1 4.06Å
634	I	97.9	Very high	96.8	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.4	165.9	-61.6	173.6	0	0	0	107.4	F554 W562 F574 Y575 R576 F601 E632	F554-I634 HydrophobicContact CD1-CD1 3.65Å; F554-I634 HydrophobicContact CD1-CG2 4.24Å; F554-I634 HydrophobicContact CE1-CB 4.34Å; F554-I634 HydrophobicContact CE1-CD1 4.3Å; F554-I634 HydrophobicContact CE1-CG2 3.81Å; F554-I634 HydrophobicContact CG-CD1 4.42Å; W562-I634 HydrophobicContact CH2-CG2 4.47Å; F574-I634 HydrophobicContact CB-CG2 4.34Å; F574-I634 HydrophobicContact CD1-CG2 4.15Å; Y575-I634 CarbonylContact O-C 3.56Å; Y575-I634 VanDerWaalsContact O-CA 3.3Å; Y575-I634 WeakPolarHBondContact O-CA 3.41Å; R576-I634 HydrophobicContact CB-CG1 4.31Å; R576-I634 HydrophobicContact CG-CG1 4.12Å; F601-I634 WeakPolarHBondContact CA-O 3.15Å; F601-I634 HydrophobicContact CB-CB 4.34Å; F601-I634 WeakPolarHBondContact CB-O 3.39Å; F601-I634 WeakPolarHBondContact CD2-O 3.08Å; F601-I634 PolarHBondContact N-O 2.67Å; F601-I634 PolarHBondContact O-N 3.47Å; E632-I634 HydrophobicContact CG-CD1 4.38Å; E632-I634 HydrophobicContact CG-CG1 4.06Å
635	L	97.9	Very high	96.7	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.3	174.6	178.5	154.3	0	0	0	108.4	F574 Y575 L592 W595 F599 V600 Y610 E637 I645	F574-L635 CarbonylContact C-O 3.22Å; F574-L635 VanDerWaalsContact CA-O 3.27Å; F574-L635 WeakPolarHBondContact CA-O 3.4Å; Y575-L635 HydrophobicContact CD2-CD2 3.97Å; Y575-L635 PolarHBondContact N-O 2.7Å; Y575-L635 PolarHBondContact O-N 2.94Å; L592-L635 HydrophobicContact CD2-CD1 3.4Å; W595-L635 HydrophobicContact CD2-CD1 3.71Å; W595-L635 HydrophobicContact CD2-CD2 4.08Å; W595-L635 HydrophobicContact CE3-CD1 3.98Å; W595-L635 HydrophobicContact CE3-CD2 3.46Å; W595-L635 VanDerWaalsContact CE3-CD2 3.46Å; W595-L635 HydrophobicContact CE3-CG 4.42Å; W595-L635 HydrophobicContact CG-CD1 4.15Å; W595-L635 HydrophobicContact CH2-CD1 4.43Å; W595-L635 HydrophobicContact CH2-CD2 3.87Å; W595-L635 HydrophobicContact CZ2-CD1 4.19Å; W595-L635 HydrophobicContact CZ2-CD2 4.44Å; W595-L635 HydrophobicContact CZ3-CD1 4.33Å; W595-L635 HydrophobicContact CZ3-CD2 3.34Å; W595-L635 HydrophobicContact CZ3-CG 4.48Å; F599-L635 CarbonylContact O-C 3.6Å; F599-L635 WeakPolarHBondContact O-CA 3.45Å; V600-L635 HydrophobicContact CG2-CD1 4.18Å; V600-L635 HydrophobicContact CG2-CG 4.43Å; Y610-L635 HydrophobicContact CE1-CD1 3.91Å; Y610-L635 HydrophobicContact CE1-CD2 4.43Å; Y610-L635 HydrophobicContact CE1-CG 4.04Å; L635-E637 HydrophobicContact CD2-CB 3.61Å; L635-I645 HydrophobicContact CB-CD1 4.44Å; L635-I645 HydrophobicContact CD1-CD1 3.64Å; L635-I645 HydrophobicContact CD1-CG1 4.27Å
636	F	98.4	Very high	96.7	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	108.9	169.3	178.2	-112.6	0	0	0	108.8	F454 M549 P572 A573 F574 G598 F599 F601 K638	F454-F636 HydrophobicContact CD2-CE1 4.28Å; F454-F636 HydrophobicContact CE1-CE1 4.03Å; F454-F636 HydrophobicContact CE2-CD1 4.03Å; F454-F636 AromaticContact CE2-CE1 3.78Å; F454-F636 HydrophobicContact CE2-CE1 3.78Å; F454-F636 HydrophobicContact CZ-CD1 4.05Å; F454-F636 AromaticContact CZ-CE1 3.62Å; F454-F636 HydrophobicContact CZ-CE1 3.62Å; M549-F636 HydrophobicContact CE-CD1 3.64Å; M549-F636 HydrophobicContact CE-CD2 4.23Å; M549-F636 HydrophobicContact CE-CE1 3.74Å; M549-F636 HydrophobicContact CE-CE2 4.32Å; M549-F636 HydrophobicContact CE-CG 3.89Å; M549-F636 HydrophobicContact CE-CZ 4.09Å; M549-F636 HydrophobicContact SD-CD1 4.41Å; P572-F636 HydrophobicContact CB-CE2 4.01Å; P572-F636 HydrophobicContact CB-CZ 3.87Å; A573-F636 WeakPolarHBondContact O-CA 3.29Å; F574-F636 HydrophobicContact CD1-CB 3.92Å; F574-F636 AromaticContact CD1-CD2 3.71Å; F574-F636 HydrophobicContact CD1-CD2 3.71Å; F574-F636 HydrophobicContact CD1-CG 4.23Å; F574-F636 HydrophobicContact CD2-CD2 4.21Å; F574-F636 HydrophobicContact CE1-CB 3.89Å; F574-F636 AromaticContact CE1-CD2 3.41Å; F574-F636 HydrophobicContact CE1-CD2 3.41Å; F574-F636 VanDerWaalsContact CE1-CD2 3.41Å; F574-F636 HydrophobicContact CE1-CE2 4.2Å; F574-F636 AromaticContact CE1-CG 3.88Å; F574-F636 HydrophobicContact CE1-CG 3.88Å; F574-F636 AromaticContact CE2-CD2 3.95Å; F574-F636 HydrophobicContact CE2-CD2 3.95Å; F574-F636 HydrophobicContact CE2-CE2 4.07Å; F574-F636 HydrophobicContact CG-CD2 4.09Å; F574-F636 AromaticContact CZ-CD2 3.53Å; F574-F636 HydrophobicContact CZ-CD2 3.53Å; F574-F636 AromaticContact CZ-CE2 3.84Å; F574-F636 HydrophobicContact CZ-CE2 3.84Å; F574-F636 HydrophobicContact CZ-CG 4.33Å; G598-F636 CarbonylContact C-O 3.59Å; G598-F636 WeakPolarHBondContact CA-O 3.44Å; F599-F636 PolarHBondContact N-O 3.23Å; F599-F636 PolarHBondContact O-N 2.73Å; F601-F636 HydrophobicContact CE2-CB 4.28Å; F636-K638 HydrophobicContact CD1-CG 4.2Å; F636-K638 HydrophobicContact CE1-CD 4.44Å; F636-K638 HydrophobicContact CE1-CG 3.68Å; F636-K638 HydrophobicContact CZ-CG 4.31Å
637	E	97.8	Very high	96.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	137.2	177.6	168.9	58.9	-113.9	0	0	108.8	P572 A573 Y575 W595 N596 Y597 Y610 L635 M639 L640	P572-E637 CarbonylContact C-O 3.45Å; P572-E637 VanDerWaalsContact CA-O 3.26Å; P572-E637 WeakPolarHBondContact CA-O 3.44Å; A573-E637 PolarHBondContact N-O 2.97Å; A573-E637 PolarHBondContact O-N 3.12Å; Y575-E637 HydrophobicContact CD2-CB 4.23Å; Y575-E637 HydrophobicContact CE2-CB 3.84Å; W595-E637 HydrophobicContact CE3-CB 3.75Å; W595-E637 HydrophobicContact CE3-CG 3.86Å; W595-E637 HydrophobicContact CZ3-CB 3.74Å; W595-E637 HydrophobicContact CZ3-CG 4.08Å; N596-E637 PolarHBondContact N-OE2 2.88Å; Y597-E637 PolarHBondContact N-OE1 2.7Å; Y597-E637 PolarHBondContact N-OE2 3.45Å; Y610-E637 PolarHBondContact OH-OE2 3.4Å; L635-E637 HydrophobicContact CD2-CB 3.61Å; E637-M639 WeakPolarHBondContact OE1-CB 3.11Å; E637-M639 PolarHBondContact OE1-N 2.81Å; E637-L640 VanDerWaalsContact CD-O 3.28Å; E637-L640 VanDerWaalsContact CG-O 3.23Å; E637-L640 WeakPolarHBondContact CG-O 3.05Å; E637-L640 PolarHBondContact OE1-N 3.18Å
638	K	96.1	Very high	96.7	Very high	2 Å²	2	34 Å²	34	1%	0.009	19%	0.188	C	C	.	.	S	Bend	trans	-102.3	-23.1	-172.2	-66.4	171.6	60.7	-155.5	0	114.8	F454 Q476 E510 G571 Y597 F636	F454-K638 HydrophobicContact CE1-CD 3.76Å; F454-K638 HydrophobicContact CE1-CG 4.43Å; F454-K638 HydrophobicContact CZ-CD 3.94Å; Q476-K638 PolarHBondContact NE2-O 3.06Å; E510-K638 WeakPolarHBondContact OE2-CE 3.4Å; E510-K638 IonicContact OE2-NZ 2.81Å; E510-K638 PolarHBondContact OE2-NZ 3.39Å; G571-K638 CarbonylContact C-O 3.41Å; Y597-K638 HydrophobicContact CD2-CD 4.42Å; Y597-K638 HydrophobicContact CE2-CD 4.42Å; Y597-K638 HydrophobicContact CG-CD 4.45Å; Y597-K638 WeakPolarHBondContact O-CB 3.33Å; Y597-K638 PolarHBondContact O-N 2.9Å; F636-K638 HydrophobicContact CD1-CG 4.2Å; F636-K638 HydrophobicContact CE1-CD 4.44Å; F636-K638 HydrophobicContact CE1-CG 3.68Å; F636-K638 HydrophobicContact CZ-CG 4.31Å
639	M	95	Very high	96.6	Very high	66 Å²	66	33.8 Å²	33.8	33%	0.325	18%	0.182	S	C	.	.	S	Bend	trans	-113.3	-67.5	-164.7	-61.6	-61.8	-71.9	0	0	111.3	G571 N596 E637	G571-M639 PolarHBondContact N-O 3.49Å; N596-M639 HydrophobicContact CB-CB 3.94Å; N596-M639 HydrophobicContact CB-CG 4.49Å; E637-M639 WeakPolarHBondContact OE1-CB 3.11Å; E637-M639 PolarHBondContact OE1-N 2.81Å
640	L	95.4	Very high	96.6	Very high	73 Å²	73	36.3 Å²	36.3	38%	0.382	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	-149.5	131.4	-174.7	177.1	70.5	0	0	0	109.1	N596 E637	N596-L640 PolarHBondContact ND2-O 3.48Å; E637-L640 VanDerWaalsContact CD-O 3.28Å; E637-L640 VanDerWaalsContact CG-O 3.23Å; E637-L640 WeakPolarHBondContact CG-O 3.05Å; E637-L640 PolarHBondContact OE1-N 3.18Å
641	S	94.1	Very high	96.6	Very high	18 Å²	18	34 Å²	34	13%	0.126	18%	0.182	C	C	.	.			trans	-52.1	135.7	178.7	58.9	0	0	0	0	112.6	S568 H569 Y575	S568-S641 WeakPolarHBondContact CA-OG 3.42Å; H569-S641 PolarHBondContact N-OG 3.42Å; H569-S641 PolarHBondContact O-N 3.24Å; H569-S641 PolarHBondContact O-OG 2.83Å; Y575-S641 VanDerWaalsContact OH-CB 3.23Å; Y575-S641 WeakPolarHBondContact OH-CB 3.23Å
642	G	93.8	Very high	96.6	Very high	15 Å²	15	37.7 Å²	37.7	16%	0.155	20%	0.2	C	C	.	.			trans	-98.3	179.9	167.9	0	0	0	0	0	113.1	N594 W595	N594-G642 WeakPolarHBondContact O-CA 3.31Å; W595-G642 VanDerWaalsContact CE3-N 3.28Å; W595-G642 VanDerWaalsContact CZ3-N 3.28Å
643	S	92.6	Very high	96.5	Very high	65 Å²	65	38.4 Å²	38.4	46%	0.455	21%	0.205	S	C	.	.	S	Bend	trans	-99.3	-45.9	-174.1	56	0	0	0	0	114.5	N594	N594-S643 WeakPolarHBondContact CB-OG 3.49Å; N594-S643 PolarHBondContact ND2-OG 2.9Å
644	D	94.6	Very high	96.4	Very high	16 Å²	16	40.2 Å²	40.2	9%	0.086	21%	0.214	C	C	.	.			trans	-155.8	155.8	-170.7	63.4	-67.4	0	0	0	111.4	M412 R413 N594 W595 K646	M412-D644 WeakPolarHBondContact O-CA 3.39Å; R413-D644 HydrophobicContact CG-CB 3.84Å; N594-D644 PolarHBondContact ND2-OD1 2.87Å; W595-D644 PolarHBondContact NE1-O 3.03Å; D644-K646 WeakPolarHBondContact OD2-CE 3.41Å; D644-K646 WeakPolarHBondContact OD2-CG 3.2Å
645	I	96.4	Very high	96.3	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.031	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-108.7	120.5	169.3	-54.1	-176.1	0	0	0	106.8	M412 L590 L592 V633 L635	M412-I645 HydrophobicContact CE-CB 4.03Å; M412-I645 HydrophobicContact CE-CD1 3.45Å; M412-I645 VanDerWaalsContact CE-CD1 3.45Å; M412-I645 HydrophobicContact CE-CG1 3.82Å; M412-I645 PolarHBondContact N-O 3.4Å; M412-I645 PolarHBondContact O-N 3.45Å; L590-I645 HydrophobicContact CB-CG2 3.95Å; L590-I645 HydrophobicContact CD1-CG2 4.41Å; L590-I645 HydrophobicContact CD2-CG2 4.21Å; L590-I645 HydrophobicContact CG-CG2 4.42Å; L592-I645 HydrophobicContact CD2-CD1 4.16Å; L592-I645 HydrophobicContact CD2-CG1 4.3Å; V633-I645 HydrophobicContact CG1-CD1 4.06Å; L635-I645 HydrophobicContact CB-CD1 4.44Å; L635-I645 HydrophobicContact CD1-CD1 3.64Å; L635-I645 HydrophobicContact CD1-CG1 4.27Å
646	K	97.5	Very high	96.2	Very high	102 Å²	102	44.6 Å²	44.6	44%	0.443	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	158.8	175	-61.7	-179	-174.1	174.5	0	109.1	P411 L590 S591 D644	P411-K646 HydrophobicContact CB-CG 4.39Å; L590-K646 CarbonylContact C-O 3.22Å; L590-K646 WeakPolarHBondContact CA-O 3.48Å; S591-K646 PolarHBondContact N-O 2.92Å; S591-K646 PolarHBondContact O-N 3.47Å; D644-K646 WeakPolarHBondContact OD2-CE 3.41Å; D644-K646 WeakPolarHBondContact OD2-CG 3.2Å
647	S	97.8	Very high	96.1	Very high	9 Å²	9	47.2 Å²	47.2	6%	0.063	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	149.8	170.6	71.4	0	0	0	0	110.2	Y409 T588 F589	Y409-S647 WeakPolarHBondContact CA-OG 2.93Å; Y409-S647 WeakPolarHBondContact CB-OG 3.39Å; Y409-S647 PolarHBondContact N-OG 2.91Å; Y409-S647 PolarHBondContact O-OG 3.22Å; T588-S647 WeakPolarHBondContact OG1-CB 3.43Å; F589-S647 CarbonylContact O-C 3.43Å; F589-S647 WeakPolarHBondContact O-CA 3.27Å
648	T	98	Very high	96	Very high	36 Å²	36	50.1 Å²	50.1	22%	0.221	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	155.4	179.2	61.9	0	0	0	0	109.7	T588 F589 K650	T588-T648 PolarHBondContact OG1-O 2.87Å; T588-T648 VanDerWaalsContact OG1-O 3.09Å; F589-T648 PolarHBondContact N-O 2.77Å; F589-T648 PolarHBondContact O-N 2.85Å; T648-K650 VanDerWaalsContact C-N 3.32Å; T648-K650 WeakPolarHBondContact CB-O 3.01Å; T648-K650 PolarHBondContact OG1-O 3.25Å
649	D	97.3	Very high	96	Very high	81 Å²	81	53.3 Å²	53.3	43%	0.433	28%	0.284	S	S	.	.	S	Bend	trans	-88.4	-3.5	175.2	64.4	-16	0	0	0	112.9	K406 V408	K406-D649 HydrophobicContact CB-CB 3.96Å; K406-D649 WeakPolarHBondContact CD-O 3.46Å; V408-D649 HydrophobicContact CG2-CB 3.92Å
650	K	96.8	Very high	96	Very high	147 Å²	147	52.4 Å²	52.4	64%	0.639	28%	0.281	S	S	*	.	S	Bend	trans	-130.9	143.7	176.5	-66.1	-180	-176.9	177.9	0	110.9	T648	T648-K650 VanDerWaalsContact C-N 3.32Å; T648-K650 WeakPolarHBondContact CB-O 3.01Å; T648-K650 PolarHBondContact OG1-O 3.25Å
651	P	97.4	Very high	96.1	Very high	48 Å²	48	50.8 Å²	50.8	31%	0.312	27%	0.274	S	S	.	.			trans	-75.6	157.4	175.2	33.6	-33.3	0	0	0	110.9	F589 T618 L653	F589-P651 HydrophobicContact CD1-CB 3.82Å; F589-P651 HydrophobicContact CD2-CB 4.41Å; F589-P651 HydrophobicContact CE1-CB 3.7Å; F589-P651 HydrophobicContact CE1-CG 4.19Å; F589-P651 HydrophobicContact CE2-CB 4.25Å; F589-P651 VanDerWaalsContact CE2-CD 3.47Å; F589-P651 HydrophobicContact CE2-CG 4.27Å; F589-P651 HydrophobicContact CG-CB 4.18Å; F589-P651 HydrophobicContact CZ-CB 3.92Å; F589-P651 HydrophobicContact CZ-CG 3.94Å; T618-P651 WeakPolarHBondContact OG1-CA 3.44Å; P651-L653 HydrophobicContact CB-CD2 4.3Å; P651-L653 HydrophobicContact CB-CG 4.1Å
652	M	97.4	Very high	96.3	Very high	79 Å²	79	53.6 Å²	53.6	39%	0.389	29%	0.286	S	S	.	.			trans	-119.3	106.1	164.3	-63.3	176.3	65.3	0	0	107.4	Q617 T618	Q617-M652 HydrophobicContact CB-CB 3.92Å; Q617-M652 PolarHBondContact N-O 2.81Å; T618-M652 HydrophobicContact CG2-CB 4.02Å; T618-M652 HydrophobicContact CG2-CG 4.22Å; T618-M652 PolarHBondContact N-O 3.27Å; T618-M652 PolarHBondContact OG1-N 2.78Å; T618-M652 PolarHBondContact OG1-O 3.19Å
653	L	95.7	Very high	96.5	Very high	39 Å²	39	57.1 Å²	57.1	20%	0.204	30%	0.298	C	S	.	.			trans	-111.4	0	-174.1	-60.7	-175.2	0	0	0	112.8	D367 P615 Q616 P651	D367-L653 HydrophobicContact CB-CD1 3.51Å; P615-L653 WeakPolarHBondContact CB-OXT 3.5Å; P615-L653 CarbonylContact O-C 3.55Å; P615-L653 VanDerWaalsContact O-OXT 3.11Å; Q616-L653 HydrophobicContact CG-CD2 4.07Å; Q616-L653 PolarHBondContact N-OXT 2.9Å; Q616-L653 VanDerWaalsContact N-OXT 3.13Å; P651-L653 HydrophobicContact CB-CD2 4.3Å; P651-L653 HydrophobicContact CB-CG 4.1Å

Retrieved 653 of 653 residues in 316.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).