A0A087XUH5_POEFO Loading...

type I protein arginine methyltransferase

AlphaFold DB (M4A8T7), UniProt , Accession A0A087XUH5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 348 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.3	Very low	32.3	Very low	251 Å²	251	155.1 Å²	155.1	100%	1.236	87%	0.873	S	S	*	*				0	110.8	0	-76.6	-176.9	-160.5	0	0	108.2
2	A	31.5	Very low	32.3	Very low	102 Å²	102	155.4 Å²	155.4	84%	0.843	86%	0.862	S	S	*	*			trans	154.7	105	160.4	0	0	0	0	0	105.1
3	A	31.2	Very low	32.2	Very low	98 Å²	98	149.2 Å²	149.2	81%	0.81	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-71.5	148.1	-174.4	0	0	0	0	0	111.5
4	P	33.8	Very low	32.4	Very low	123 Å²	123	151 Å²	151	80%	0.799	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-76.7	136.8	175.2	31.3	-30.9	0	0	0	110.4	E6	P4-E6 PolarHBondContact O-N 3.03Å
5	A	35.3	Very low	32.7	Very low	102 Å²	102	147.8 Å²	147.8	84%	0.843	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-70.4	120.1	171.6	0	0	0	0	0	109.6	R7	A5-R7 PolarHBondContact O-N 3.21Å
6	E	33.2	Very low	34	Very low	190 Å²	190	146.4 Å²	146.4	89%	0.888	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-60.3	125	173.2	-77.2	174.3	149.1	0	0	110.2	P4 M8	P4-E6 PolarHBondContact O-N 3.03Å; E6-M8 PolarHBondContact O-N 3.36Å
7	R	34.2	Very low	35.5	Very low	241 Å²	241	144.6 Å²	144.6	91%	0.909	84%	0.837	S	S	*	*			trans	-67.1	113	163.7	-79.8	179.8	172.9	-176.9	-2.5	107.5	A5 E9	A5-R7 PolarHBondContact O-N 3.21Å; R7-E9 PolarHBondContact O-N 3.15Å
8	M	28.8	Very low	37.2	Very low	179 Å²	179	141.7 Å²	141.7	88%	0.882	81%	0.813	S	S	*	*			trans	-67.4	99.3	163.3	-73.9	-179.1	83.9	0	0	108.3	E6 V10	E6-M8 PolarHBondContact O-N 3.36Å; M8-V10 PolarHBondContact O-N 3.14Å
9	E	28.3	Very low	39.1	Very low	183 Å²	183	136.4 Å²	136.4	86%	0.855	78%	0.784	S	S	*	*			trans	-68.1	111.6	159.5	-77	-178.3	162.5	0	0	107.9	R7 S11	R7-E9 PolarHBondContact O-N 3.15Å; E9-S11 VanDerWaalsContact C-N 3.35Å; E9-S11 PolarHBondContact O-N 2.94Å; E9-S11 VanDerWaalsContact O-N 3.09Å
10	V	30.1	Very low	40.9	Very low	126 Å²	126	131.8 Å²	131.8	76%	0.764	76%	0.763	S	S	*	*			trans	-77.2	93.5	167.8	-177.1	0	0	0	0	106.8	M8 Q12	M8-V10 PolarHBondContact O-N 3.14Å; V10-Q12 PolarHBondContact O-N 3.25Å; V10-Q12 VanDerWaalsContact O-N 3.11Å
11	S	29.3	Very low	42.5	Very low	111 Å²	111	125.9 Å²	125.9	78%	0.776	73%	0.729	S	S	*	*			trans	-64.7	104.5	166.9	63.5	0	0	0	0	109.1	E9 G13	E9-S11 VanDerWaalsContact C-N 3.35Å; E9-S11 PolarHBondContact O-N 2.94Å; E9-S11 VanDerWaalsContact O-N 3.09Å; S11-G13 VanDerWaalsContact C-N 3.34Å; S11-G13 PolarHBondContact O-N 2.74Å; S11-G13 VanDerWaalsContact O-N 3.1Å
12	Q	32.4	Very low	44.3	Very low	159 Å²	159	120.6 Å²	120.6	74%	0.743	70%	0.702	S	S	*	*			trans	-76.9	91.1	165.4	-74.1	-175.9	-7.8	0	0	108.1	V10 E14	V10-Q12 PolarHBondContact O-N 3.25Å; V10-Q12 VanDerWaalsContact O-N 3.11Å; Q12-E14 PolarHBondContact O-N 3.49Å
13	G	31.2	Very low	46.6	Very low	74 Å²	74	121.4 Å²	121.4	76%	0.763	69%	0.692	S	S	*	*			trans	-76.6	96.6	158.7	0	0	0	0	0	108.2	S11 S15	S11-G13 VanDerWaalsContact C-N 3.34Å; S11-G13 PolarHBondContact O-N 2.74Å; S11-G13 VanDerWaalsContact O-N 3.1Å; G13-S15 PolarHBondContact O-N 2.83Å
14	E	35	Very low	48.8	Very low	175 Å²	175	117.9 Å²	117.9	82%	0.818	66%	0.659	S	S	*	*			trans	-72	103.8	167.9	-75.6	-178	156.7	0	0	108.7	Q12 S16	Q12-E14 PolarHBondContact O-N 3.49Å; E14-S16 PolarHBondContact O-N 3.43Å
15	S	36.5	Very low	50.9	Low	103 Å²	103	115.6 Å²	115.6	72%	0.72	64%	0.643	S	S	*	*			trans	-71.6	120	159.2	59.2	0	0	0	0	108.2	G13 V17	G13-S15 PolarHBondContact O-N 2.83Å; S15-V17 PolarHBondContact O-N 3.16Å
16	S	53.2	Low	52.4	Low	125 Å²	125	115.8 Å²	115.8	87%	0.874	64%	0.638	S	S	*	*	S	Bend	trans	-68.8	12.5	-174.6	54.1	0	0	0	0	116	E14	E14-S16 PolarHBondContact O-N 3.43Å
17	V	59.7	Low	53.7	Low	116 Å²	116	113.4 Å²	113.4	70%	0.703	63%	0.625	S	S	*	*			trans	-108.7	115.6	-174.7	-174.7	0	0	0	0	109.3	S15	S15-V17 PolarHBondContact O-N 3.16Å
18	K	67.4	Low	55.5	Low	93 Å²	93	104 Å²	104	40%	0.404	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-61.8	137.2	173	-76.7	-172.7	172.4	-169.3	0	110.2	D32 C96	K18-D32 IonicContact NZ-OD1 3.1Å; K18-D32 IonicContact NZ-OD2 3.85Å; K18-D32 PolarHBondContact NZ-OD2 3.28Å; K18-C96 PolarHBondContact NZ-O 3.03Å
19	P	73.3	Confident	57.2	Low	41 Å²	41	98.9 Å²	98.9	27%	0.266	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-61.1	152.9	176.6	23.1	-30.7	0	0	0	111.6	D23 M24 D28	P19-D23 HydrophobicContact CB-CB 4.47Å; P19-M24 HydrophobicContact CB-CG 4.37Å; P19-M24 HydrophobicContact CG-CE 4.15Å; P19-M24 HydrophobicContact CG-CG 3.93Å; P19-D28 HydrophobicContact CG-CB 4.06Å
20	A	74.8	Confident	58.1	Low	43 Å²	43	99.4 Å²	99.4	36%	0.355	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-62.9	153.7	170.4	0	0	0	0	0	110	E22 D23	A20-E22 PolarHBondContact O-N 2.88Å; A20-D23 PolarHBondContact O-N 2.82Å
21	A	75.2	Confident	59.9	Low	8 Å²	8	100.6 Å²	100.6	7%	0.066	56%	0.555	C	S	.	*	T	Hydrogen-bonded Turn	trans	-60	-24	-175.8	0	0	0	0	0	114.3	D101 Y102	A21-D101 HydrophobicContact CB-CB 4.45Å; A21-D101 PolarHBondContact N-OD2 3.17Å; A21-Y102 HydrophobicContact CB-CD2 4.03Å; A21-Y102 HydrophobicContact CB-CE2 3.37Å
22	E	76.8	Confident	62.2	Low	141 Å²	141	95.8 Å²	95.8	66%	0.659	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-19.5	178.9	-63.6	173.9	-162.1	0	0	112.8	A20 K105	A20-E22 PolarHBondContact O-N 2.88Å; E22-K105 IonicContact OE1-NZ 2.74Å; E22-K105 PolarHBondContact OE1-NZ 3.39Å
23	D	79	Confident	64.3	Low	119 Å²	119	91 Å²	91	64%	0.636	50%	0.504	S	S	*	.	S	Bend	trans	-105.3	3.6	-175.6	-61.8	-45.4	0	0	0	113.1	P19 A20	P19-D23 HydrophobicContact CB-CB 4.47Å; A20-D23 PolarHBondContact O-N 2.82Å
24	M	77.8	Confident	66.7	Low	24 Å²	24	90.6 Å²	90.6	12%	0.118	48%	0.48	C	S	.	.			trans	-72.8	134	-175.1	-81.6	-172.1	152.4	0	0	113.1	P19 D28 Y29 D32 A35 S98	P19-M24 HydrophobicContact CB-CG 4.37Å; P19-M24 HydrophobicContact CG-CE 4.15Å; P19-M24 HydrophobicContact CG-CG 3.93Å; M24-D28 HydrophobicContact CB-CB 4.21Å; M24-D28 HydrophobicContact CE-CB 4.31Å; M24-D28 HydrophobicContact CG-CB 3.96Å; M24-Y29 HydrophobicContact CB-CE1 4.37Å; M24-Y29 HydrophobicContact CB-CE2 4.06Å; M24-Y29 HydrophobicContact SD-CD1 4.43Å; M24-Y29 HydrophobicContact SD-CE1 4.12Å; M24-D32 HydrophobicContact CE-CB 3.87Å; M24-A35 HydrophobicContact CE-CB 3.98Å; M24-A35 HydrophobicContact SD-CB 3.34Å; M24-A35 WeakPolarHBondContact SD-CB 3.35Å; M24-S98 WeakPolarHBondContact CE-OG 3.3Å; M24-S98 PolarHBondContact SD-OG 3.25Å
25	T	77.5	Confident	68.7	Low	74 Å²	74	82.5 Å²	82.5	45%	0.454	44%	0.443	S	S	.	.			trans	-100.4	173.5	171.6	71.4	0	0	0	0	111.2	K27 D28 Y29	T25-K27 PolarHBondContact O-N 3.11Å; T25-K27 PolarHBondContact OG1-N 3.3Å; T25-D28 WeakPolarHBondContact CB-OD2 3.33Å; T25-D28 PolarHBondContact N-OD2 3.15Å; T25-D28 PolarHBondContact O-N 3Å; T25-D28 PolarHBondContact OG1-OD2 2.82Å; T25-Y29 WeakPolarHBondContact O-CD2 3.5Å; T25-Y29 PolarHBondContact O-N 3.04Å; T25-Y29 VanDerWaalsContact O-N 3.1Å
26	S	66.8	Low	71	Confident	107 Å²	107	81.1 Å²	81.1	75%	0.748	43%	0.425	S	S	*	.	H	α-helix	trans	-58.2	-28.4	174.1	55	0	0	0	0	113.6	Y30	S26-Y30 PolarHBondContact O-N 3.05Å
27	K	61.5	Low	72.6	Confident	140 Å²	140	81.6 Å²	81.6	61%	0.609	41%	0.412	S	S	*	.	H	α-helix	trans	-68.1	-39.7	174.2	-174.9	-178.5	175.3	-171.2	0	111.2	T25 Y30 F31	T25-K27 PolarHBondContact O-N 3.11Å; T25-K27 PolarHBondContact OG1-N 3.3Å; K27-Y30 WeakPolarHBondContact O-CB 3.45Å; K27-Y30 PolarHBondContact O-N 2.99Å; K27-F31 HydrophobicContact CG-CD2 4.48Å; K27-F31 HydrophobicContact CG-CE2 4.09Å; K27-F31 WeakPolarHBondContact O-CD2 3.27Å
28	D	72.1	Confident	73.9	Confident	44 Å²	44	77.2 Å²	77.2	24%	0.235	39%	0.39	C	S	.	.	H	α-helix	trans	-70.3	-40.4	-179.6	-54	-64.1	0	0	0	111	P19 M24 T25 Y30 F31 D32	P19-D28 HydrophobicContact CG-CB 4.06Å; M24-D28 HydrophobicContact CB-CB 4.21Å; M24-D28 HydrophobicContact CE-CB 4.31Å; M24-D28 HydrophobicContact CG-CB 3.96Å; T25-D28 WeakPolarHBondContact CB-OD2 3.33Å; T25-D28 PolarHBondContact N-OD2 3.15Å; T25-D28 PolarHBondContact O-N 3Å; T25-D28 PolarHBondContact OG1-OD2 2.82Å; D28-Y30 PolarHBondContact O-N 3.37Å; D28-F31 CarbonylContact O-C 3.54Å; D28-F31 PolarHBondContact O-N 2.99Å; D28-D32 PolarHBondContact O-N 3.06Å
29	Y	63.2	Low	74.9	Confident	70 Å²	70	75.4 Å²	75.4	28%	0.275	38%	0.384	S	S	.	.	H	α-helix	trans	-60.5	-27	172.5	-71.8	-60.7	0	0	0	113.5	M24 T25 F31 D32 S33 A35 H36	M24-Y29 HydrophobicContact CB-CE1 4.37Å; M24-Y29 HydrophobicContact CB-CE2 4.06Å; M24-Y29 HydrophobicContact SD-CD1 4.43Å; M24-Y29 HydrophobicContact SD-CE1 4.12Å; T25-Y29 WeakPolarHBondContact O-CD2 3.5Å; T25-Y29 PolarHBondContact O-N 3.04Å; T25-Y29 VanDerWaalsContact O-N 3.1Å; Y29-F31 VanDerWaalsContact C-N 3.29Å; Y29-F31 PolarHBondContact O-N 3.32Å; Y29-D32 CarbonylContact O-C 3.55Å; Y29-D32 VanDerWaalsContact O-C 3.26Å; Y29-D32 PolarHBondContact O-N 3.28Å; Y29-S33 WeakPolarHBondContact O-CA 3.49Å; Y29-S33 PolarHBondContact O-N 3.47Å; Y29-A35 HydrophobicContact CD1-CB 3.84Å; Y29-A35 HydrophobicContact CE1-CB 3.69Å; Y29-H36 HydrophobicContact CD1-CB 3.86Å; Y29-H36 HydrophobicContact CE1-CB 3.94Å
30	Y	47.5	Very low	75.9	Confident	195 Å²	195	73.9 Å²	73.9	77%	0.765	37%	0.373	S	S	*	.	H	α-helix	trans	-67.6	-31	174.1	-170.8	-93.7	0	0	0	112.4	S26 K27 D28	S26-Y30 PolarHBondContact O-N 3.05Å; K27-Y30 WeakPolarHBondContact O-CB 3.45Å; K27-Y30 PolarHBondContact O-N 2.99Å; D28-Y30 PolarHBondContact O-N 3.37Å
31	F	67.8	Low	76.9	Confident	150 Å²	150	75.7 Å²	75.7	66%	0.658	37%	0.374	S	S	*	.	H	α-helix	trans	-98.2	-8.8	177.5	-62.8	-72.7	0	0	0	113.3	K27 D28 Y29	K27-F31 HydrophobicContact CG-CD2 4.48Å; K27-F31 HydrophobicContact CG-CE2 4.09Å; K27-F31 WeakPolarHBondContact O-CD2 3.27Å; D28-F31 CarbonylContact O-C 3.54Å; D28-F31 PolarHBondContact O-N 2.99Å; Y29-F31 VanDerWaalsContact C-N 3.29Å; Y29-F31 PolarHBondContact O-N 3.32Å
32	D	77.9	Confident	77.8	Confident	11 Å²	11	79 Å²	79	6%	0.059	39%	0.389	C	S	.	.			trans	-143.7	66.4	178.5	-161.9	-16.1	0	0	0	110	K18 M24 D28 Y29 Y34 A35 S97 S98	K18-D32 IonicContact NZ-OD1 3.1Å; K18-D32 IonicContact NZ-OD2 3.85Å; K18-D32 PolarHBondContact NZ-OD2 3.28Å; M24-D32 HydrophobicContact CE-CB 3.87Å; D28-D32 PolarHBondContact O-N 3.06Å; Y29-D32 CarbonylContact O-C 3.55Å; Y29-D32 VanDerWaalsContact O-C 3.26Å; Y29-D32 PolarHBondContact O-N 3.28Å; D32-Y34 VanDerWaalsContact C-N 3.26Å; D32-Y34 PolarHBondContact O-N 2.79Å; D32-A35 HydrophobicContact CB-CB 4.27Å; D32-A35 WeakPolarHBondContact O-CB 3.48Å; D32-A35 PolarHBondContact O-N 3.02Å; D32-A35 PolarHBondContact OD1-N 3.26Å; D32-S97 WeakPolarHBondContact OD1-CA 3.43Å; D32-S97 WeakPolarHBondContact OD1-CB 3.41Å; D32-S97 PolarHBondContact OD1-OG 3.09Å; D32-S97 WeakPolarHBondContact OD2-CA 3.43Å; D32-S98 PolarHBondContact OD2-N 3.36Å
33	S	75.8	Confident	78.7	Confident	57 Å²	57	73.4 Å²	73.4	40%	0.399	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-55.6	-42.5	-176.1	52.5	0	0	0	0	112.2	Y29 A35 H36 I39	Y29-S33 WeakPolarHBondContact O-CA 3.49Å; Y29-S33 PolarHBondContact O-N 3.47Å; S33-A35 PolarHBondContact O-N 2.98Å; S33-A35 VanDerWaalsContact O-N 3.08Å; S33-H36 WeakPolarHBondContact O-CB 3.31Å; S33-H36 PolarHBondContact O-N 3.39Å; S33-H36 VanDerWaalsContact O-N 3.07Å; S33-I39 VanDerWaalsContact O-CD1 3.22Å; S33-I39 WeakPolarHBondContact O-CD1 3.47Å
34	Y	82	Confident	79.6	Confident	67 Å²	67	71 Å²	71	26%	0.263	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-66.3	-5.6	178	-73.3	-78	0	0	0	114.5	D32 H36 I39 H40 M43 S97 E148	D32-Y34 VanDerWaalsContact C-N 3.26Å; D32-Y34 PolarHBondContact O-N 2.79Å; Y34-H36 PolarHBondContact O-N 2.83Å; Y34-I39 HydrophobicContact CD1-CG2 3.95Å; Y34-I39 HydrophobicContact CE1-CG2 3.89Å; Y34-H40 PolarHBondContact O-CD2 3.13Å; Y34-H40 PolarHBondContact O-NE2 3.08Å; Y34-M43 HydrophobicContact CD1-CE 4.36Å; Y34-M43 HydrophobicContact CE1-CE 4.31Å; Y34-S97 PolarHBondContact O-OG 3.24Å; Y34-E148 WeakPolarHBondContact CE2-OE2 3.43Å; Y34-E148 VanDerWaalsContact CZ-OE2 3.31Å; Y34-E148 PolarHBondContact OH-OE1 3.43Å; Y34-E148 VanDerWaalsContact OH-OE1 3.08Å; Y34-E148 PolarHBondContact OH-OE2 2.6Å
35	A	78.3	Confident	80.6	Confident	4 Å²	4	76.8 Å²	76.8	3%	0.033	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-70.6	-22	170	0	0	0	0	0	112.3	M24 Y29 D32 S33 S97 S98	M24-A35 HydrophobicContact CE-CB 3.98Å; M24-A35 HydrophobicContact SD-CB 3.34Å; M24-A35 WeakPolarHBondContact SD-CB 3.35Å; Y29-A35 HydrophobicContact CD1-CB 3.84Å; Y29-A35 HydrophobicContact CE1-CB 3.69Å; D32-A35 HydrophobicContact CB-CB 4.27Å; D32-A35 WeakPolarHBondContact O-CB 3.48Å; D32-A35 PolarHBondContact O-N 3.02Å; D32-A35 PolarHBondContact OD1-N 3.26Å; S33-A35 PolarHBondContact O-N 2.98Å; S33-A35 VanDerWaalsContact O-N 3.08Å; A35-S97 VanDerWaalsContact CA-OG 3.27Å; A35-S97 WeakPolarHBondContact CA-OG 3.49Å; A35-S97 PolarHBondContact N-OG 3.39Å; A35-S98 WeakPolarHBondContact CB-OG 3.43Å
36	H	84.8	Confident	81.6	Confident	75 Å²	75	73.4 Å²	73.4	35%	0.347	35%	0.353	S	S	.	.	S	Bend	trans	-79.1	124.2	-175.1	-165.5	-83.5	0	0	0	111.3	Y29 S33 Y34 G38 I39	Y29-H36 HydrophobicContact CD1-CB 3.86Å; Y29-H36 HydrophobicContact CE1-CB 3.94Å; S33-H36 WeakPolarHBondContact O-CB 3.31Å; S33-H36 PolarHBondContact O-N 3.39Å; S33-H36 VanDerWaalsContact O-N 3.07Å; Y34-H36 PolarHBondContact O-N 2.83Å; H36-G38 PolarHBondContact ND1-N 3.11Å; H36-G38 VanDerWaalsContact ND1-N 3.13Å; H36-G38 PolarHBondContact O-N 2.87Å; H36-G38 VanDerWaalsContact O-N 3.11Å; H36-I39 PolarHBondContact O-N 2.97Å
37	F	85.3	Confident	83.1	Confident	135 Å²	135	74.7 Å²	74.7	59%	0.592	35%	0.347	S	S	*	.	H	α-helix	trans	-57.7	-31.3	-176.6	72	-91.8	0	0	0	113.4	I39 H40 E41	F37-I39 VanDerWaalsContact C-N 3.29Å; F37-I39 PolarHBondContact O-N 3.34Å; F37-H40 CarbonylContact O-C 3.47Å; F37-H40 PolarHBondContact O-N 3.43Å; F37-H40 VanDerWaalsContact O-N 3.08Å; F37-E41 PolarHBondContact O-N 3.31Å
38	G	87.3	Confident	84.9	Confident	24 Å²	24	69.9 Å²	69.9	25%	0.247	33%	0.33	C	S	.	.	H	α-helix	trans	-59.7	-34.6	-177.9	0	0	0	0	0	113.9	H36 E41 E42	H36-G38 PolarHBondContact ND1-N 3.11Å; H36-G38 VanDerWaalsContact ND1-N 3.13Å; H36-G38 PolarHBondContact O-N 2.87Å; H36-G38 VanDerWaalsContact O-N 3.11Å; G38-E41 PolarHBondContact O-N 3.25Å; G38-E42 PolarHBondContact O-N 2.78Å; G38-E42 VanDerWaalsContact O-N 3.12Å
39	I	89.4	Confident	86.1	Confident	54 Å²	54	68.3 Å²	68.3	28%	0.277	32%	0.32	S	S	.	.	H	α-helix	trans	-66.8	-43.1	175.7	-57.4	-176.3	0	0	0	109.6	S33 Y34 H36 F37 E42 M43	S33-I39 VanDerWaalsContact O-CD1 3.22Å; S33-I39 WeakPolarHBondContact O-CD1 3.47Å; Y34-I39 HydrophobicContact CD1-CG2 3.95Å; Y34-I39 HydrophobicContact CE1-CG2 3.89Å; H36-I39 PolarHBondContact O-N 2.97Å; F37-I39 VanDerWaalsContact C-N 3.29Å; F37-I39 PolarHBondContact O-N 3.34Å; I39-E42 PolarHBondContact O-N 3.18Å; I39-M43 HydrophobicContact CG2-CE 4.09Å; I39-M43 WeakPolarHBondContact O-CG 3.33Å; I39-M43 PolarHBondContact O-N 2.87Å; I39-M43 VanDerWaalsContact O-N 3.09Å
40	H	93.5	Very high	87.8	Confident	10 Å²	10	65.6 Å²	65.6	5%	0.046	31%	0.311	C	S	.	.	H	α-helix	trans	-68.4	-34.5	176.7	-65.2	-83.4	0	0	0	112.8	Y34 F37 M43 L44 T76 I99	Y34-H40 PolarHBondContact O-CD2 3.13Å; Y34-H40 PolarHBondContact O-NE2 3.08Å; F37-H40 CarbonylContact O-C 3.47Å; F37-H40 PolarHBondContact O-N 3.43Å; F37-H40 VanDerWaalsContact O-N 3.08Å; H40-M43 HydrophobicContact CB-CE 4.35Å; H40-M43 WeakPolarHBondContact ND1-CE 3.32Å; H40-M43 PolarHBondContact O-N 3.07Å; H40-L44 VanDerWaalsContact O-CB 3.24Å; H40-L44 WeakPolarHBondContact O-CB 3.47Å; H40-L44 WeakPolarHBondContact O-CD1 3.29Å; H40-L44 WeakPolarHBondContact O-CG 3.44Å; H40-L44 PolarHBondContact O-N 2.97Å; H40-T76 HydrophobicContact CB-CG2 3.8Å; H40-I99 WeakPolarHBondContact NE2-CG1 3.18Å
41	E	95.6	Very high	90.3	Very high	80 Å²	80	59 Å²	59	37%	0.374	29%	0.288	S	S	.	.	H	α-helix	trans	-62.1	-44.7	175.2	-175.6	-179.9	174.1	0	0	111.3	F37 G38 L44 K45	F37-E41 PolarHBondContact O-N 3.31Å; G38-E41 PolarHBondContact O-N 3.25Å; E41-L44 PolarHBondContact O-N 3.33Å; E41-K45 HydrophobicContact CG-CD 4.01Å; E41-K45 VanDerWaalsContact O-CB 3.32Å; E41-K45 WeakPolarHBondContact O-CB 3.37Å; E41-K45 VanDerWaalsContact O-CG 3.32Å; E41-K45 WeakPolarHBondContact O-CG 3.34Å; E41-K45 PolarHBondContact O-N 3.08Å; E41-K45 WeakPolarHBondContact OE1-CE 3.37Å; E41-K45 IonicContact OE1-NZ 2.98Å; E41-K45 PolarHBondContact OE1-NZ 3.18Å
42	E	95.1	Very high	91.8	Very high	79 Å²	79	52.7 Å²	52.7	37%	0.369	26%	0.263	S	S	.	.	H	α-helix	trans	-60.4	-50	174.2	-178.4	171.1	-156.3	0	0	111.3	G38 I39 L44 K45 D46 H288	G38-E42 PolarHBondContact O-N 2.78Å; G38-E42 VanDerWaalsContact O-N 3.12Å; I39-E42 PolarHBondContact O-N 3.18Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 2.88Å; E42-K45 PolarHBondContact O-N 3.23Å; E42-D46 PolarHBondContact O-N 2.7Å; E42-D46 VanDerWaalsContact O-N 3.11Å; E42-H288 HydrophobicContact CG-CB 3.83Å
43	M	95.6	Very high	92.8	Very high	22 Å²	22	52.2 Å²	52.2	11%	0.108	26%	0.26	C	S	.	.	H	α-helix	trans	-60.4	-39.9	177.6	-70.8	-170.2	-67.6	0	0	112.9	Y34 I39 H40 R49 T50	Y34-M43 HydrophobicContact CD1-CE 4.36Å; Y34-M43 HydrophobicContact CE1-CE 4.31Å; I39-M43 HydrophobicContact CG2-CE 4.09Å; I39-M43 WeakPolarHBondContact O-CG 3.33Å; I39-M43 PolarHBondContact O-N 2.87Å; I39-M43 VanDerWaalsContact O-N 3.09Å; H40-M43 HydrophobicContact CB-CE 4.35Å; H40-M43 WeakPolarHBondContact ND1-CE 3.32Å; H40-M43 PolarHBondContact O-N 3.07Å; M43-R49 VanDerWaalsContact O-CZ 3.23Å; M43-R49 PolarHBondContact O-NE 3.43Å; M43-R49 PolarHBondContact O-NH2 3.21Å; M43-T50 PolarHBondContact O-OG1 3.31Å
44	L	97.2	Very high	93.9	Very high	68 Å²	68	53.6 Å²	53.6	36%	0.356	26%	0.257	S	S	.	.	H	α-helix	trans	-75	-32.5	-179.1	-73.1	168.2	0	0	0	112.6	H40 E41 E42 D46 T76 I78	H40-L44 VanDerWaalsContact O-CB 3.24Å; H40-L44 WeakPolarHBondContact O-CB 3.47Å; H40-L44 WeakPolarHBondContact O-CD1 3.29Å; H40-L44 WeakPolarHBondContact O-CG 3.44Å; H40-L44 PolarHBondContact O-N 2.97Å; E41-L44 PolarHBondContact O-N 3.33Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 2.88Å; L44-D46 VanDerWaalsContact C-N 3.3Å; L44-T76 HydrophobicContact CD1-CG2 4.42Å; L44-I78 HydrophobicContact CD2-CB 3.94Å; L44-I78 HydrophobicContact CD2-CG1 3.86Å; L44-I78 HydrophobicContact CD2-CG2 3.86Å
45	K	98.2	Very high	94.7	Very high	146 Å²	146	52.5 Å²	52.5	64%	0.635	26%	0.255	S	S	*	.	H	α-helix	trans	-75.9	-17.1	175.3	-76.3	177.8	173.1	175.2	0	113.1	E41 E42 E47	E41-K45 HydrophobicContact CG-CD 4.01Å; E41-K45 VanDerWaalsContact O-CB 3.32Å; E41-K45 WeakPolarHBondContact O-CB 3.37Å; E41-K45 VanDerWaalsContact O-CG 3.32Å; E41-K45 WeakPolarHBondContact O-CG 3.34Å; E41-K45 PolarHBondContact O-N 3.08Å; E41-K45 WeakPolarHBondContact OE1-CE 3.37Å; E41-K45 IonicContact OE1-NZ 2.98Å; E41-K45 PolarHBondContact OE1-NZ 3.18Å; E42-K45 PolarHBondContact O-N 3.23Å; K45-E47 VanDerWaalsContact C-N 3.34Å; K45-E47 PolarHBondContact O-N 3.07Å
46	D	98.4	Very high	95.6	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.016	25%	0.253	C	S	.	.			trans	-68.2	92.3	165.8	-172.2	-21.9	0	0	0	110	E42 L44 V48 R49 T50 T287 H288	E42-D46 PolarHBondContact O-N 2.7Å; E42-D46 VanDerWaalsContact O-N 3.11Å; L44-D46 VanDerWaalsContact C-N 3.3Å; D46-V48 PolarHBondContact OD1-N 2.67Å; D46-R49 HydrophobicContact CB-CB 4.01Å; D46-R49 VanDerWaalsContact CG-CB 3.43Å; D46-R49 WeakPolarHBondContact OD1-CB 3.33Å; D46-R49 PolarHBondContact OD1-N 2.95Å; D46-T50 VanDerWaalsContact O-CB 3.32Å; D46-T50 WeakPolarHBondContact O-CB 3.43Å; D46-T50 PolarHBondContact O-N 3.21Å; D46-T50 PolarHBondContact O-OG1 2.8Å; D46-T287 VanDerWaalsContact OD2-CA 3.3Å; D46-T287 WeakPolarHBondContact OD2-CA 3.35Å; D46-T287 WeakPolarHBondContact OD2-CB 3.49Å; D46-H288 HydrophobicContact CB-CB 4.42Å; D46-H288 IonicContact OD2-CE1 3.2Å; D46-H288 IonicContact OD2-CG 2.81Å; D46-H288 PolarHBondContact OD2-N 2.87Å; D46-H288 IonicContact OD2-ND1 2.63Å; D46-H288 PolarHBondContact OD2-ND1 2.78Å
47	E	98.6	Very high	96.3	Very high	135 Å²	135	48.7 Å²	48.7	63%	0.631	24%	0.237	S	C	*	.	H	α-helix	trans	-68.7	-35.6	179.9	-69.9	-169.3	179.4	0	0	112.3	K45 R49 T50 L51	K45-E47 VanDerWaalsContact C-N 3.34Å; K45-E47 PolarHBondContact O-N 3.07Å; E47-R49 VanDerWaalsContact C-N 3.32Å; E47-R49 PolarHBondContact O-N 3.33Å; E47-T50 PolarHBondContact O-N 3.4Å; E47-L51 HydrophobicContact CB-CD1 3.95Å; E47-L51 HydrophobicContact CB-CG 4.22Å; E47-L51 WeakPolarHBondContact O-CA 3.47Å; E47-L51 WeakPolarHBondContact O-CB 3.37Å; E47-L51 WeakPolarHBondContact O-CG 3.27Å; E47-L51 PolarHBondContact O-N 3.19Å
48	V	98.8	Very high	97	Very high	39 Å²	39	45.4 Å²	45.4	24%	0.236	22%	0.222	C	C	.	.	H	α-helix	trans	-59.2	-49.1	178.1	174.4	0	0	0	0	109.1	D46 T52 F278 P285 T287	D46-V48 PolarHBondContact OD1-N 2.67Å; V48-T52 VanDerWaalsContact O-CB 3.23Å; V48-T52 WeakPolarHBondContact O-CB 3.45Å; V48-T52 PolarHBondContact O-N 2.86Å; V48-T52 PolarHBondContact O-OG1 3.01Å; V48-F278 HydrophobicContact CG1-CB 3.66Å; V48-F278 HydrophobicContact CG1-CD2 4.37Å; V48-F278 HydrophobicContact CG1-CG 4.12Å; V48-P285 HydrophobicContact CG2-CB 3.97Å; V48-T287 HydrophobicContact CB-CG2 4.03Å; V48-T287 HydrophobicContact CG1-CG2 3.88Å
49	R	98.8	Very high	97.5	Very high	10 Å²	10	50.4 Å²	50.4	4%	0.038	24%	0.239	C	C	.	.	H	α-helix	trans	-59.5	-63.6	173.8	-178.5	-168.8	84.4	99.1	15.2	110.9	M43 D46 E47 L51 T52 Y53 E139 W289	M43-R49 VanDerWaalsContact O-CZ 3.23Å; M43-R49 PolarHBondContact O-NE 3.43Å; M43-R49 PolarHBondContact O-NH2 3.21Å; D46-R49 HydrophobicContact CB-CB 4.01Å; D46-R49 VanDerWaalsContact CG-CB 3.43Å; D46-R49 WeakPolarHBondContact OD1-CB 3.33Å; D46-R49 PolarHBondContact OD1-N 2.95Å; E47-R49 VanDerWaalsContact C-N 3.32Å; E47-R49 PolarHBondContact O-N 3.33Å; R49-L51 PolarHBondContact O-N 3.16Å; R49-T52 PolarHBondContact O-N 3Å; R49-Y53 HydrophobicContact CG-CD2 4.41Å; R49-Y53 HydrophobicContact CG-CE2 4.42Å; R49-Y53 WeakPolarHBondContact O-CD2 3.31Å; R49-Y53 PolarHBondContact O-N 3.38Å; R49-E139 HydrophobicContact CG-CG 4.39Å; R49-E139 IonicContact CZ-OE2 3.56Å; R49-E139 IonicContact NH1-OE2 3.37Å; R49-E139 PolarHBondContact NH1-OE2 2.89Å; R49-W289 HydrophobicContact CB-CH2 4.13Å; R49-W289 HydrophobicContact CB-CZ3 3.91Å; R49-W289 HydrophobicContact CG-CH2 3.54Å; R49-W289 HydrophobicContact CG-CZ3 3.86Å
50	T	98.8	Very high	97.9	Very high	13 Å²	13	47.9 Å²	47.9	8%	0.08	23%	0.226	C	C	.	.	H	α-helix	trans	-66.3	-40.7	-165.6	-55.3	0	0	0	0	111.9	M43 D46 E47 R54 I78 F82	M43-T50 PolarHBondContact O-OG1 3.31Å; D46-T50 VanDerWaalsContact O-CB 3.32Å; D46-T50 WeakPolarHBondContact O-CB 3.43Å; D46-T50 PolarHBondContact O-N 3.21Å; D46-T50 PolarHBondContact O-OG1 2.8Å; E47-T50 PolarHBondContact O-N 3.4Å; T50-R54 WeakPolarHBondContact O-CB 3.2Å; T50-R54 PolarHBondContact O-N 3.4Å; T50-I78 HydrophobicContact CG2-CG1 4.49Å; T50-F82 HydrophobicContact CG2-CE2 3.97Å; T50-F82 HydrophobicContact CG2-CZ 4.08Å
51	L	98.8	Very high	98.2	Very high	56 Å²	56	52.2 Å²	52.2	29%	0.293	25%	0.245	S	C	.	.	H	α-helix	trans	-72.1	-31.3	178.3	-58.3	179.9	0	0	0	112.1	E47 R49 R54 N55	E47-L51 HydrophobicContact CB-CD1 3.95Å; E47-L51 HydrophobicContact CB-CG 4.22Å; E47-L51 WeakPolarHBondContact O-CA 3.47Å; E47-L51 WeakPolarHBondContact O-CB 3.37Å; E47-L51 WeakPolarHBondContact O-CG 3.27Å; E47-L51 PolarHBondContact O-N 3.19Å; R49-L51 PolarHBondContact O-N 3.16Å; L51-R54 VanDerWaalsContact CD2-CZ 3.44Å; L51-R54 PolarHBondContact O-N 2.89Å; L51-N55 WeakPolarHBondContact O-CB 3.08Å; L51-N55 PolarHBondContact O-N 3.27Å; L51-N55 PolarHBondContact O-ND2 2.94Å; L51-N55 PolarHBondContact O-OD1 3.17Å
52	T	98.9	Very high	98.3	Very high	19 Å²	19	54.4 Å²	54.4	12%	0.117	26%	0.255	C	S	.	.	H	α-helix	trans	-66.1	-44.4	176.7	-58.5	0	0	0	0	111.2	V48 R49 N55 S56 F269 I276 F278	V48-T52 VanDerWaalsContact O-CB 3.23Å; V48-T52 WeakPolarHBondContact O-CB 3.45Å; V48-T52 PolarHBondContact O-N 2.86Å; V48-T52 PolarHBondContact O-OG1 3.01Å; R49-T52 PolarHBondContact O-N 3Å; T52-N55 PolarHBondContact O-N 2.94Å; T52-S56 PolarHBondContact O-N 3.08Å; T52-F269 HydrophobicContact CG2-CD2 4.18Å; T52-F269 HydrophobicContact CG2-CE2 3.73Å; T52-I276 HydrophobicContact CG2-CG2 3.63Å; T52-F278 HydrophobicContact CG2-CD1 3.92Å
53	Y	98.9	Very high	98.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.7	-46.7	171.3	-85.1	-90.9	0	0	0	112.3	R49 N55 S56 M57 L79 S138 E139 M141 P170 F269	R49-Y53 HydrophobicContact CG-CD2 4.41Å; R49-Y53 HydrophobicContact CG-CE2 4.42Å; R49-Y53 WeakPolarHBondContact O-CD2 3.31Å; R49-Y53 PolarHBondContact O-N 3.38Å; Y53-N55 VanDerWaalsContact C-N 3.29Å; Y53-N55 PolarHBondContact O-N 3.2Å; Y53-S56 PolarHBondContact O-N 3.46Å; Y53-S56 PolarHBondContact O-OG 3.36Å; Y53-M57 HydrophobicContact CD1-CE 4.3Å; Y53-M57 WeakPolarHBondContact O-CG 3.41Å; Y53-M57 PolarHBondContact O-N 2.96Å; Y53-L79 HydrophobicContact CD1-CD1 3.93Å; Y53-L79 HydrophobicContact CD1-CD2 3.94Å; Y53-L79 HydrophobicContact CE1-CD1 4.05Å; Y53-L79 HydrophobicContact CG-CD1 4.49Å; Y53-L79 HydrophobicContact CG-CD2 3.87Å; Y53-S138 WeakPolarHBondContact CE1-O 3.32Å; Y53-S138 PolarHBondContact OH-O 2.82Å; Y53-E139 HydrophobicContact CE1-CB 4.36Å; Y53-E139 HydrophobicContact CE2-CB 4.15Å; Y53-E139 HydrophobicContact CE2-CG 3.69Å; Y53-E139 VanDerWaalsContact OH-CA 3.27Å; Y53-E139 WeakPolarHBondContact OH-CA 3.47Å; Y53-M141 HydrophobicContact CE2-CE 4.22Å; Y53-M141 WeakPolarHBondContact OH-CE 3.36Å; Y53-P170 WeakPolarHBondContact OH-CD 3.4Å; Y53-F269 HydrophobicContact CD1-CE1 4.03Å; Y53-F269 AromaticContact CD1-CZ 3.91Å; Y53-F269 HydrophobicContact CD1-CZ 3.91Å; Y53-F269 HydrophobicContact CD2-CZ 4.15Å; Y53-F269 HydrophobicContact CE1-CE1 4.02Å; Y53-F269 AromaticContact CE1-CZ 3.89Å; Y53-F269 HydrophobicContact CE1-CZ 3.89Å; Y53-F269 HydrophobicContact CE2-CZ 4.12Å; Y53-F269 HydrophobicContact CG-CZ 4.05Å; Y53-F269 AromaticContact CZ-CZ 3.99Å
54	R	98.9	Very high	98.7	Very high	87 Å²	87	51.3 Å²	51.3	33%	0.328	24%	0.241	S	C	.	.	H	α-helix	trans	-57.5	-46	176.9	-170.9	-170.3	70.2	-173.2	1	111.3	T50 L51 M57 F58 F82	T50-R54 WeakPolarHBondContact O-CB 3.2Å; T50-R54 PolarHBondContact O-N 3.4Å; L51-R54 VanDerWaalsContact CD2-CZ 3.44Å; L51-R54 PolarHBondContact O-N 2.89Å; R54-M57 PolarHBondContact O-N 3.11Å; R54-F58 HydrophobicContact CG-CD1 4.14Å; R54-F58 HydrophobicContact CG-CD2 3.84Å; R54-F58 HydrophobicContact CG-CE1 4.16Å; R54-F58 HydrophobicContact CG-CE2 3.86Å; R54-F58 HydrophobicContact CG-CG 3.98Å; R54-F58 HydrophobicContact CG-CZ 4.03Å; R54-F58 VanDerWaalsContact O-CB 3.26Å; R54-F58 WeakPolarHBondContact O-CB 3.34Å; R54-F58 WeakPolarHBondContact O-CG 3.19Å; R54-F58 PolarHBondContact O-N 3.32Å; R54-F82 HydrophobicContact CB-CD1 4.41Å; R54-F82 HydrophobicContact CB-CD2 3.84Å; R54-F82 HydrophobicContact CB-CE1 4.25Å; R54-F82 HydrophobicContact CB-CE2 3.65Å; R54-F82 HydrophobicContact CB-CG 4.23Å; R54-F82 HydrophobicContact CB-CZ 3.87Å; R54-F82 HydrophobicContact CG-CD1 3.87Å; R54-F82 HydrophobicContact CG-CD2 4.19Å; R54-F82 HydrophobicContact CG-CE1 3.81Å; R54-F82 HydrophobicContact CG-CE2 4.13Å; R54-F82 HydrophobicContact CG-CG 4.07Å; R54-F82 HydrophobicContact CG-CZ 3.95Å
55	N	98.8	Very high	98.8	Very high	43 Å²	43	54.4 Å²	54.4	23%	0.23	25%	0.252	C	S	.	.	H	α-helix	trans	-70	-35.1	-176.7	-68.5	-12	0	0	0	111.9	L51 T52 Y53 M57 H59	L51-N55 WeakPolarHBondContact O-CB 3.08Å; L51-N55 PolarHBondContact O-N 3.27Å; L51-N55 PolarHBondContact O-ND2 2.94Å; L51-N55 PolarHBondContact O-OD1 3.17Å; T52-N55 PolarHBondContact O-N 2.94Å; Y53-N55 VanDerWaalsContact C-N 3.29Å; Y53-N55 PolarHBondContact O-N 3.2Å; N55-M57 PolarHBondContact O-N 2.89Å; N55-H59 VanDerWaalsContact O-CB 3.28Å; N55-H59 WeakPolarHBondContact O-CB 3.37Å; N55-H59 PolarHBondContact O-N 2.84Å
56	S	98.9	Very high	98.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.7	-33	174.9	75	0	0	0	0	111.7	T52 Y53 N60	T52-S56 PolarHBondContact O-N 3.08Å; Y53-S56 PolarHBondContact O-N 3.46Å; Y53-S56 PolarHBondContact O-OG 3.36Å; S56-N60 WeakPolarHBondContact O-CB 3.26Å; S56-N60 PolarHBondContact O-ND2 2.98Å
57	M	98.9	Very high	98.8	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-86	-50.3	175.1	-52.1	179	-155.4	0	0	112.6	Y53 R54 N55 H59 N60 K61 F64 L79 F82 A83 A86 I137	Y53-M57 HydrophobicContact CD1-CE 4.3Å; Y53-M57 WeakPolarHBondContact O-CG 3.41Å; Y53-M57 PolarHBondContact O-N 2.96Å; R54-M57 PolarHBondContact O-N 3.11Å; N55-M57 PolarHBondContact O-N 2.89Å; M57-H59 PolarHBondContact O-N 3.33Å; M57-N60 CarbonylContact O-C 3.53Å; M57-N60 VanDerWaalsContact O-C 3.3Å; M57-N60 PolarHBondContact O-N 3.42Å; M57-N60 VanDerWaalsContact O-N 3.11Å; M57-K61 PolarHBondContact O-N 3.27Å; M57-F64 HydrophobicContact CB-CD2 4.34Å; M57-F64 HydrophobicContact CB-CE1 4.47Å; M57-F64 HydrophobicContact CB-CE2 4Å; M57-F64 HydrophobicContact CB-CZ 4.08Å; M57-F64 HydrophobicContact CG-CE1 3.95Å; M57-F64 HydrophobicContact CG-CE2 3.98Å; M57-F64 HydrophobicContact CG-CZ 3.57Å; M57-F64 HydrophobicContact SD-CE1 4.33Å; M57-F64 HydrophobicContact SD-CZ 4.49Å; M57-L79 HydrophobicContact CE-CB 4.4Å; M57-L79 HydrophobicContact CE-CD2 4.4Å; M57-F82 HydrophobicContact CE-CB 4.41Å; M57-F82 HydrophobicContact SD-CB 3.6Å; M57-F82 VanDerWaalsContact SD-CB 3.6Å; M57-A83 HydrophobicContact SD-CB 4.04Å; M57-A83 PolarHBondContact SD-N 2.99Å; M57-A86 HydrophobicContact CB-CB 3.98Å; M57-I137 HydrophobicContact CE-CB 4.35Å; M57-I137 HydrophobicContact CE-CD1 3.95Å; M57-I137 HydrophobicContact CE-CG2 4.17Å
58	F	98.8	Very high	98.8	Very high	65 Å²	65	51 Å²	51	29%	0.285	24%	0.241	S	C	.	.	H	α-helix	trans	-70.5	-31.2	-170.7	-80.7	24.3	0	0	0	113.3	R54 N60 K61 F82 K85 A86	R54-F58 HydrophobicContact CG-CD1 4.14Å; R54-F58 HydrophobicContact CG-CD2 3.84Å; R54-F58 HydrophobicContact CG-CE1 4.16Å; R54-F58 HydrophobicContact CG-CE2 3.86Å; R54-F58 HydrophobicContact CG-CG 3.98Å; R54-F58 HydrophobicContact CG-CZ 4.03Å; R54-F58 VanDerWaalsContact O-CB 3.26Å; R54-F58 WeakPolarHBondContact O-CB 3.34Å; R54-F58 WeakPolarHBondContact O-CG 3.19Å; R54-F58 PolarHBondContact O-N 3.32Å; F58-N60 VanDerWaalsContact C-N 3.3Å; F58-K61 WeakPolarHBondContact O-CG 3.34Å; F58-F82 HydrophobicContact CE1-CB 4.05Å; F58-F82 HydrophobicContact CE1-CD1 4.19Å; F58-F82 HydrophobicContact CE1-CG 4.43Å; F58-F82 WeakPolarHBondContact CE1-O 3.43Å; F58-F82 HydrophobicContact CZ-CD1 4.07Å; F58-K85 HydrophobicContact CE1-CB 3.85Å; F58-K85 HydrophobicContact CZ-CB 3.8Å; F58-A86 HydrophobicContact CD1-CB 4.41Å
59	H	98.8	Very high	98.8	Very high	129 Å²	129	49.1 Å²	49.1	60%	0.597	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-6.7	175.2	-57.6	156.7	0	0	0	112.7	N55 M57	N55-H59 VanDerWaalsContact O-CB 3.28Å; N55-H59 WeakPolarHBondContact O-CB 3.37Å; N55-H59 PolarHBondContact O-N 2.84Å; M57-H59 PolarHBondContact O-N 3.33Å
60	N	98.8	Very high	98.8	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.011	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.4	37.3	-178.2	-53.2	-82	0	0	0	112	S56 M57 F58 H62 L63 C272 H273	S56-N60 WeakPolarHBondContact O-CB 3.26Å; S56-N60 PolarHBondContact O-ND2 2.98Å; M57-N60 CarbonylContact O-C 3.53Å; M57-N60 VanDerWaalsContact O-C 3.3Å; M57-N60 PolarHBondContact O-N 3.42Å; M57-N60 VanDerWaalsContact O-N 3.11Å; F58-N60 VanDerWaalsContact C-N 3.3Å; N60-H62 PolarHBondContact O-N 3.49Å; N60-L63 HydrophobicContact CB-CD1 3.8Å; N60-L63 HydrophobicContact CB-CG 4.14Å; N60-L63 WeakPolarHBondContact O-CB 3.42Å; N60-L63 PolarHBondContact O-N 3.01Å; N60-C272 PolarHBondContact ND2-SG 3.24Å; N60-H273 PolarHBondContact OD1-N 3.03Å
61	K	98.8	Very high	98.8	Very high	101 Å²	101	48 Å²	48	44%	0.439	23%	0.225	S	C	.	.	H	α-helix	trans	-51.9	-28.6	-179.2	-64.2	-167.3	-179.5	-167.1	0	114.2	M57 F58 L63 F64 K65 K85 A86	M57-K61 PolarHBondContact O-N 3.27Å; F58-K61 WeakPolarHBondContact O-CG 3.34Å; K61-L63 PolarHBondContact O-N 3.09Å; K61-F64 PolarHBondContact O-N 3.26Å; K61-F64 VanDerWaalsContact O-N 3.1Å; K61-K65 WeakPolarHBondContact O-CB 3.44Å; K61-K65 PolarHBondContact O-N 3.43Å; K61-K85 PolarHBondContact NZ-O 3.46Å; K61-A86 WeakPolarHBondContact CB-O 3.49Å; K61-A86 HydrophobicContact CG-CB 4.29Å; K61-A86 WeakPolarHBondContact CG-O 3.16Å
62	H	98.8	Very high	98.8	Very high	126 Å²	126	45.4 Å²	45.4	58%	0.583	21%	0.211	S	C	*	.	H	α-helix	trans	-61.4	-26.3	176	64.6	-84.8	0	0	0	113.4	N60	N60-H62 PolarHBondContact O-N 3.49Å
63	L	98.8	Very high	98.8	Very high	35 Å²	35	45.7 Å²	45.7	18%	0.183	22%	0.218	C	C	.	.	H	α-helix	trans	-76.3	-35.1	173.8	-58.2	179.1	0	0	0	111.7	N60 K61 K67 L167 F169 R271	N60-L63 HydrophobicContact CB-CD1 3.8Å; N60-L63 HydrophobicContact CB-CG 4.14Å; N60-L63 WeakPolarHBondContact O-CB 3.42Å; N60-L63 PolarHBondContact O-N 3.01Å; K61-L63 PolarHBondContact O-N 3.09Å; L63-K67 WeakPolarHBondContact O-CG 3.49Å; L63-L167 HydrophobicContact CB-CD1 4.19Å; L63-L167 HydrophobicContact CD1-CD1 4.26Å; L63-L167 HydrophobicContact CD2-CD1 4.27Å; L63-L167 HydrophobicContact CG-CD1 4.48Å; L63-F169 HydrophobicContact CD1-CZ 3.95Å; L63-R271 HydrophobicContact CD1-CB 4.48Å; L63-R271 WeakPolarHBondContact CD1-O 3.22Å
64	F	98.9	Very high	98.7	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-90.7	-24.1	-174.4	-71.9	-94.1	0	0	0	113.7	M57 K61 D66 K67 V69 A83 A86 A88 I135 I137 F169	M57-F64 HydrophobicContact CB-CD2 4.34Å; M57-F64 HydrophobicContact CB-CE1 4.47Å; M57-F64 HydrophobicContact CB-CE2 4Å; M57-F64 HydrophobicContact CB-CZ 4.08Å; M57-F64 HydrophobicContact CG-CE1 3.95Å; M57-F64 HydrophobicContact CG-CE2 3.98Å; M57-F64 HydrophobicContact CG-CZ 3.57Å; M57-F64 HydrophobicContact SD-CE1 4.33Å; M57-F64 HydrophobicContact SD-CZ 4.49Å; K61-F64 PolarHBondContact O-N 3.26Å; K61-F64 VanDerWaalsContact O-N 3.1Å; F64-D66 PolarHBondContact O-N 2.83Å; F64-K67 WeakPolarHBondContact O-CB 3.39Å; F64-K67 PolarHBondContact O-N 3.09Å; F64-K67 VanDerWaalsContact O-N 3.09Å; F64-V69 HydrophobicContact CD1-CG2 4.08Å; F64-A83 HydrophobicContact CD1-CB 4.38Å; F64-A86 HydrophobicContact CB-CB 3.92Å; F64-A86 HydrophobicContact CD2-CB 4.46Å; F64-A86 HydrophobicContact CG-CB 4.07Å; F64-A88 VanDerWaalsContact O-CA 3.29Å; F64-A88 WeakPolarHBondContact O-CA 3.27Å; F64-A88 PolarHBondContact O-N 3.1Å; F64-I135 HydrophobicContact CD1-CD1 3.74Å; F64-I135 HydrophobicContact CD2-CD1 4.47Å; F64-I135 HydrophobicContact CE1-CD1 3.82Å; F64-I135 HydrophobicContact CE1-CG2 4.05Å; F64-I135 HydrophobicContact CG-CD1 4.07Å; F64-I135 HydrophobicContact CZ-CD1 4.2Å; F64-I135 HydrophobicContact CZ-CG2 4.36Å; F64-I137 HydrophobicContact CE1-CG2 4.16Å; F64-F169 HydrophobicContact CE2-CD1 4.42Å; F64-F169 AromaticContact CE2-CE1 3.86Å; F64-F169 HydrophobicContact CE2-CE1 3.86Å; F64-F169 HydrophobicContact CE2-CE2 4.37Å; F64-F169 AromaticContact CE2-CZ 3.85Å; F64-F169 HydrophobicContact CE2-CZ 3.85Å; F64-F169 AromaticContact CZ-CD1 4Å; F64-F169 HydrophobicContact CZ-CD1 4Å; F64-F169 HydrophobicContact CZ-CD2 4.25Å; F64-F169 AromaticContact CZ-CE1 3.88Å; F64-F169 HydrophobicContact CZ-CE1 3.88Å; F64-F169 HydrophobicContact CZ-CE2 4.13Å; F64-F169 HydrophobicContact CZ-CG 4.22Å; F64-F169 AromaticContact CZ-CZ 3.96Å; F64-F169 HydrophobicContact CZ-CZ 3.96Å
65	K	98.8	Very high	98.6	Very high	134 Å²	134	42.2 Å²	42.2	58%	0.583	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	127.7	-175.7	-173.5	179.8	174.3	-175.4	0	111.1	K61 K67 G87	K61-K65 WeakPolarHBondContact O-CB 3.44Å; K61-K65 PolarHBondContact O-N 3.43Å; K65-K67 PolarHBondContact O-N 3.37Å; K65-K67 VanDerWaalsContact O-N 3.17Å; K65-G87 WeakPolarHBondContact CA-O 3.47Å
66	D	98.7	Very high	98.6	Very high	109 Å²	109	41.1 Å²	41.1	58%	0.583	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	62	15.7	178.2	-56.9	-46.8	0	0	0	114.9	F64 G87	F64-D66 PolarHBondContact O-N 2.83Å; D66-G87 PolarHBondContact N-O 3.47Å
67	K	98.8	Very high	98.6	Very high	81 Å²	81	41.1 Å²	41.1	35%	0.352	20%	0.203	S	C	.	.			trans	-92.2	156.3	179.3	-61	-50.3	-172.2	169.7	0	113.8	L63 F64 K65 K89 K90 D134 I135	L63-K67 WeakPolarHBondContact O-CG 3.49Å; F64-K67 WeakPolarHBondContact O-CB 3.39Å; F64-K67 PolarHBondContact O-N 3.09Å; F64-K67 VanDerWaalsContact O-N 3.09Å; K65-K67 PolarHBondContact O-N 3.37Å; K65-K67 VanDerWaalsContact O-N 3.17Å; K67-K89 PolarHBondContact O-N 2.85Å; K67-K90 PolarHBondContact O-N 2.87Å; K67-D134 HydrophobicContact CB-CB 4.05Å; K67-D134 HydrophobicContact CD-CB 3.89Å; K67-D134 HydrophobicContact CG-CB 4.25Å; K67-I135 HydrophobicContact CB-CD1 4.3Å; K67-I135 HydrophobicContact CG-CD1 4.24Å
68	V	98.9	Very high	98.6	Very high	21 Å²	21	42.8 Å²	42.8	13%	0.127	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	121.1	166.3	-175.2	0	0	0	0	108.9	K90 I92 V130 V133 D134 I135	V68-K90 WeakPolarHBondContact CA-O 3.49Å; V68-K90 HydrophobicContact CG1-CB 4.47Å; V68-I92 HydrophobicContact CG1-CD1 4.48Å; V68-V130 HydrophobicContact CG1-CG2 4.34Å; V68-V133 HydrophobicContact CG1-CB 4.42Å; V68-V133 HydrophobicContact CG1-CG1 3.97Å; V68-D134 PolarHBondContact N-OD2 3.23Å; V68-D134 PolarHBondContact O-N 3.41Å; V68-I135 PolarHBondContact O-N 2.76Å
69	V	98.9	Very high	98.6	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.3	-175.5	-173.8	0	0	0	0	110.3	F64 A83 A88 K90 V91 I92 I135 I137	F64-V69 HydrophobicContact CD1-CG2 4.08Å; V69-A83 HydrophobicContact CB-CB 4.42Å; V69-A83 HydrophobicContact CG1-CB 4.07Å; V69-A83 HydrophobicContact CG2-CB 4.38Å; V69-A88 HydrophobicContact CG2-CB 3.74Å; V69-K90 PolarHBondContact N-O 2.93Å; V69-V91 HydrophobicContact CB-CG1 4.35Å; V69-V91 HydrophobicContact CB-CG2 4.28Å; V69-V91 CarbonylContact O-C 3.58Å; V69-V91 WeakPolarHBondContact O-CA 3.48Å; V69-I92 PolarHBondContact O-N 3.12Å; V69-I135 CarbonylContact C-O 3.53Å; V69-I135 WeakPolarHBondContact CA-O 3.35Å; V69-I135 HydrophobicContact CG1-CB 4.32Å; V69-I135 HydrophobicContact CG1-CG2 4.37Å; V69-I135 HydrophobicContact CG2-CB 4.25Å; V69-I137 HydrophobicContact CG1-CD1 3.96Å; V69-I137 HydrophobicContact CG1-CG1 4.12Å; V69-I137 HydrophobicContact CG1-CG2 3.8Å
70	L	98.9	Very high	98.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126.3	170.5	179.6	63.5	0	0	0	109.9	V72 I92 I94 L128 V133 I135 I136 I137 A157 W161	L70-V72 HydrophobicContact CD2-CG2 3.93Å; L70-V72 HydrophobicContact CG-CG2 3.96Å; L70-I92 CarbonylContact C-O 3.55Å; L70-I92 WeakPolarHBondContact CA-O 3.35Å; L70-I92 HydrophobicContact CD1-CB 4.32Å; L70-I92 HydrophobicContact CD1-CG2 4.32Å; L70-I92 WeakPolarHBondContact CD1-O 3.22Å; L70-I94 HydrophobicContact CD1-CD1 3.82Å; L70-I94 HydrophobicContact CD1-CG1 4.05Å; L70-L128 HydrophobicContact CD1-CD1 4.2Å; L70-L128 HydrophobicContact CD1-CD2 4.08Å; L70-L128 HydrophobicContact CD2-CD1 4.28Å; L70-V133 HydrophobicContact CB-CB 4.25Å; L70-V133 HydrophobicContact CB-CG1 4.08Å; L70-V133 HydrophobicContact CB-CG2 3.86Å; L70-V133 HydrophobicContact CD2-CG2 4.41Å; L70-I135 PolarHBondContact N-O 3.41Å; L70-I136 HydrophobicContact CB-CG1 4.18Å; L70-I136 HydrophobicContact CD2-CD1 4.47Å; L70-I136 HydrophobicContact CD2-CG1 4.2Å; L70-I136 CarbonylContact O-C 3.52Å; L70-I136 WeakPolarHBondContact O-CA 3.4Å; L70-I137 PolarHBondContact O-N 3.06Å; L70-A157 HydrophobicContact CD2-CB 4.14Å; L70-W161 HydrophobicContact CD2-CE3 3.83Å; L70-W161 HydrophobicContact CD2-CZ3 4.42Å
71	D	98.9	Very high	98.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	111.2	170	-171	3.8	0	0	0	109.5	S74 L79 C80 I92 G93 I94 I137	D71-S74 WeakPolarHBondContact OD2-CB 3.4Å; D71-L79 WeakPolarHBondContact OD2-CB 3.29Å; D71-C80 WeakPolarHBondContact CB-SG 3.33Å; D71-C80 PolarHBondContact OD2-N 3.08Å; D71-C80 PolarHBondContact OD2-SG 3.42Å; D71-I92 PolarHBondContact N-O 3Å; D71-G93 WeakPolarHBondContact O-CA 3.18Å; D71-I94 PolarHBondContact O-N 3.45Å; D71-I137 WeakPolarHBondContact CA-O 3.23Å; D71-I137 HydrophobicContact CB-CD1 3.96Å; D71-I137 HydrophobicContact CB-CG1 3.71Å
72	V	98.6	Very high	98.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	109.5	-177.4	173.4	0	0	0	0	109.1	L70 V123 I136 I137 S138 M150 T153 V154 A157	L70-V72 HydrophobicContact CD2-CG2 3.93Å; L70-V72 HydrophobicContact CG-CG2 3.96Å; V72-V123 HydrophobicContact CG1-CG2 4.07Å; V72-I136 HydrophobicContact CG2-CG2 4.01Å; V72-I137 PolarHBondContact N-O 3.33Å; V72-S138 PolarHBondContact O-OG 2.84Å; V72-M150 VanDerWaalsContact O-CE 3.25Å; V72-M150 WeakPolarHBondContact O-CE 3.38Å; V72-T153 HydrophobicContact CG1-CG2 3.83Å; V72-V154 HydrophobicContact CG1-CG2 4.09Å; V72-A157 HydrophobicContact CG2-CB 3.66Å
73	G	97.5	Very high	98.6	Very high	26 Å²	26	25.4 Å²	25.4	27%	0.268	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	57.4	-171.8	0	0	0	0	0	111.6	G75 I94	G73-G75 PolarHBondContact O-N 3.33Å; G73-G75 VanDerWaalsContact O-N 3.14Å; G73-I94 CarbonylContact C-O 3.55Å; G73-I94 VanDerWaalsContact CA-O 3.28Å; G73-I94 WeakPolarHBondContact CA-O 3.32Å; G73-I94 PolarHBondContact N-O 3.22Å
74	S	97.8	Very high	98.6	Very high	6 Å²	6	24.2 Å²	24.2	4%	0.042	13%	0.129	C	C	.	.			trans	-67.2	-15.9	-167.6	61.7	0	0	0	0	114.9	D71 T76 G77 I94 E95	D71-S74 WeakPolarHBondContact OD2-CB 3.4Å; S74-T76 PolarHBondContact O-N 2.7Å; S74-G77 WeakPolarHBondContact O-CA 3.44Å; S74-G77 PolarHBondContact O-N 3.4Å; S74-I94 PolarHBondContact N-O 3.18Å; S74-I94 PolarHBondContact OG-O 2.89Å; S74-E95 WeakPolarHBondContact OG-CB 3.32Å
75	G	97.6	Very high	98.6	Very high	7 Å²	7	29.9 Å²	29.9	7%	0.072	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	-119.9	177.2	0	0	0	0	0	112.3	G73 G77 E95 A103	G73-G75 PolarHBondContact O-N 3.33Å; G73-G75 VanDerWaalsContact O-N 3.14Å; G75-G77 PolarHBondContact O-N 3.14Å; G75-E95 VanDerWaalsContact CA-OE2 3.27Å; G75-E95 WeakPolarHBondContact CA-OE2 3.32Å; G75-E95 PolarHBondContact N-OE2 2.83Å; G75-A103 WeakPolarHBondContact O-CB 3.24Å
76	T	97.9	Very high	98.6	Very high	20 Å²	20	23.6 Å²	23.6	12%	0.123	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-5.4	176.1	52.9	0	0	0	0	114.6	H40 L44 S74 I99	H40-T76 HydrophobicContact CB-CG2 3.8Å; L44-T76 HydrophobicContact CD1-CG2 4.42Å; S74-T76 PolarHBondContact O-N 2.7Å; T76-I99 HydrophobicContact CG2-CD1 4.33Å; T76-I99 HydrophobicContact CG2-CG1 4.05Å
77	G	98.4	Very high	98.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	82.2	12.3	-176.5	0	0	0	0	0	114.3	S74 G75 L79 C80 M81	S74-G77 WeakPolarHBondContact O-CA 3.44Å; S74-G77 PolarHBondContact O-N 3.4Å; G75-G77 PolarHBondContact O-N 3.14Å; G77-L79 PolarHBondContact O-N 2.81Å; G77-C80 WeakPolarHBondContact O-CB 3.32Å; G77-C80 PolarHBondContact O-N 3.49Å; G77-M81 WeakPolarHBondContact O-CG 3.15Å; G77-M81 PolarHBondContact O-N 2.98Å
78	I	98.9	Very high	98.6	Very high	35 Å²	35	16.4 Å²	16.4	18%	0.179	10%	0.1	C	C	.	.	H	α-helix	trans	-60.8	-42.9	-176.9	-173.1	58.5	0	0	0	112.8	L44 T50 M81 F82	L44-I78 HydrophobicContact CD2-CB 3.94Å; L44-I78 HydrophobicContact CD2-CG1 3.86Å; L44-I78 HydrophobicContact CD2-CG2 3.86Å; T50-I78 HydrophobicContact CG2-CG1 4.49Å; I78-M81 HydrophobicContact CD1-CE 4.09Å; I78-M81 PolarHBondContact O-N 2.9Å; I78-F82 HydrophobicContact CD1-CE1 3.83Å; I78-F82 HydrophobicContact CD1-CE2 4.21Å; I78-F82 HydrophobicContact CD1-CZ 3.63Å; I78-F82 HydrophobicContact CG1-CD2 4.48Å; I78-F82 HydrophobicContact CG1-CE1 4.34Å; I78-F82 HydrophobicContact CG1-CE2 3.8Å; I78-F82 HydrophobicContact CG1-CZ 3.71Å; I78-F82 WeakPolarHBondContact O-CG 3.46Å; I78-F82 PolarHBondContact O-N 3.37Å; I78-F82 VanDerWaalsContact O-N 3.08Å
79	L	98.9	Very high	98.6	Very high	7 Å²	7	22.6 Å²	22.6	4%	0.037	13%	0.125	C	C	.	.	H	α-helix	trans	-71.5	-39.4	179	-58.3	-173.4	0	0	0	111.1	Y53 M57 D71 G77 M81 F82 A83 I137 E139	Y53-L79 HydrophobicContact CD1-CD1 3.93Å; Y53-L79 HydrophobicContact CD1-CD2 3.94Å; Y53-L79 HydrophobicContact CE1-CD1 4.05Å; Y53-L79 HydrophobicContact CG-CD1 4.49Å; Y53-L79 HydrophobicContact CG-CD2 3.87Å; M57-L79 HydrophobicContact CE-CB 4.4Å; M57-L79 HydrophobicContact CE-CD2 4.4Å; D71-L79 WeakPolarHBondContact OD2-CB 3.29Å; G77-L79 PolarHBondContact O-N 2.81Å; L79-M81 VanDerWaalsContact C-N 3.3Å; L79-M81 PolarHBondContact O-N 2.94Å; L79-F82 HydrophobicContact CD2-CD2 4.02Å; L79-F82 HydrophobicContact CD2-CE2 4.35Å; L79-F82 PolarHBondContact O-N 2.63Å; L79-F82 VanDerWaalsContact O-N 3.17Å; L79-A83 PolarHBondContact O-N 2.79Å; L79-I137 HydrophobicContact CB-CD1 3.86Å; L79-I137 HydrophobicContact CB-CG1 4.49Å; L79-E139 HydrophobicContact CD1-CB 3.99Å
80	C	98.9	Very high	98.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-50.9	-49.3	168.5	-73.7	0	0	0	0	112.5	D71 G77 F82 A83 A84 V91 V116	D71-C80 WeakPolarHBondContact CB-SG 3.33Å; D71-C80 PolarHBondContact OD2-N 3.08Å; D71-C80 PolarHBondContact OD2-SG 3.42Å; G77-C80 WeakPolarHBondContact O-CB 3.32Å; G77-C80 PolarHBondContact O-N 3.49Å; C80-F82 VanDerWaalsContact C-N 3.33Å; C80-F82 PolarHBondContact O-N 3.48Å; C80-A83 PolarHBondContact O-N 3.28Å; C80-A84 PolarHBondContact O-N 3.05Å; C80-V91 HydrophobicContact CB-CG1 3.83Å; C80-V116 HydrophobicContact CB-CG1 3.7Å; C80-V116 HydrophobicContact CB-CG2 4.44Å
81	M	98.9	Very high	98.6	Very high	24 Å²	24	25.4 Å²	25.4	12%	0.118	14%	0.138	C	C	.	.	H	α-helix	trans	-65.9	-35.3	-179.4	-69.6	-169.9	-71.4	0	0	112.3	G77 I78 L79 K85 I106 V107 N110 L112	G77-M81 WeakPolarHBondContact O-CG 3.15Å; G77-M81 PolarHBondContact O-N 2.98Å; I78-M81 HydrophobicContact CD1-CE 4.09Å; I78-M81 PolarHBondContact O-N 2.9Å; L79-M81 VanDerWaalsContact C-N 3.3Å; L79-M81 PolarHBondContact O-N 2.94Å; M81-K85 WeakPolarHBondContact O-CB 3.4Å; M81-K85 VanDerWaalsContact O-CG 3.31Å; M81-K85 WeakPolarHBondContact O-CG 3.36Å; M81-K85 PolarHBondContact O-N 2.9Å; M81-I106 HydrophobicContact CE-CG2 3.59Å; M81-I106 HydrophobicContact SD-CG2 3.93Å; M81-V107 HydrophobicContact CG-CG2 4.37Å; M81-N110 HydrophobicContact SD-CB 4.15Å; M81-L112 HydrophobicContact CB-CD1 3.81Å; M81-L112 HydrophobicContact CG-CD1 3.62Å; M81-L112 HydrophobicContact SD-CD1 4.14Å
82	F	98.9	Very high	98.6	Very high	27 Å²	27	25.4 Å²	25.4	12%	0.118	14%	0.137	C	C	.	.	H	α-helix	trans	-64	-46	172.2	-65.6	-26.1	0	0	0	111.9	T50 R54 M57 F58 I78 L79 C80 A84 K85 A86	T50-F82 HydrophobicContact CG2-CE2 3.97Å; T50-F82 HydrophobicContact CG2-CZ 4.08Å; R54-F82 HydrophobicContact CB-CD1 4.41Å; R54-F82 HydrophobicContact CB-CD2 3.84Å; R54-F82 HydrophobicContact CB-CE1 4.25Å; R54-F82 HydrophobicContact CB-CE2 3.65Å; R54-F82 HydrophobicContact CB-CG 4.23Å; R54-F82 HydrophobicContact CB-CZ 3.87Å; R54-F82 HydrophobicContact CG-CD1 3.87Å; R54-F82 HydrophobicContact CG-CD2 4.19Å; R54-F82 HydrophobicContact CG-CE1 3.81Å; R54-F82 HydrophobicContact CG-CE2 4.13Å; R54-F82 HydrophobicContact CG-CG 4.07Å; R54-F82 HydrophobicContact CG-CZ 3.95Å; M57-F82 HydrophobicContact CE-CB 4.41Å; M57-F82 HydrophobicContact SD-CB 3.6Å; M57-F82 VanDerWaalsContact SD-CB 3.6Å; F58-F82 HydrophobicContact CE1-CB 4.05Å; F58-F82 HydrophobicContact CE1-CD1 4.19Å; F58-F82 HydrophobicContact CE1-CG 4.43Å; F58-F82 WeakPolarHBondContact CE1-O 3.43Å; F58-F82 HydrophobicContact CZ-CD1 4.07Å; I78-F82 HydrophobicContact CD1-CE1 3.83Å; I78-F82 HydrophobicContact CD1-CE2 4.21Å; I78-F82 HydrophobicContact CD1-CZ 3.63Å; I78-F82 HydrophobicContact CG1-CD2 4.48Å; I78-F82 HydrophobicContact CG1-CE1 4.34Å; I78-F82 HydrophobicContact CG1-CE2 3.8Å; I78-F82 HydrophobicContact CG1-CZ 3.71Å; I78-F82 WeakPolarHBondContact O-CG 3.46Å; I78-F82 PolarHBondContact O-N 3.37Å; I78-F82 VanDerWaalsContact O-N 3.08Å; L79-F82 HydrophobicContact CD2-CD2 4.02Å; L79-F82 HydrophobicContact CD2-CE2 4.35Å; L79-F82 PolarHBondContact O-N 2.63Å; L79-F82 VanDerWaalsContact O-N 3.17Å; C80-F82 VanDerWaalsContact C-N 3.33Å; C80-F82 PolarHBondContact O-N 3.48Å; F82-A84 VanDerWaalsContact C-N 3.33Å; F82-A84 PolarHBondContact O-N 3.28Å; F82-K85 PolarHBondContact O-N 2.97Å; F82-A86 WeakPolarHBondContact O-CB 3.39Å; F82-A86 PolarHBondContact O-N 3.23Å
83	A	98.9	Very high	98.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.9	-42.4	177.8	0	0	0	0	0	111.9	M57 F64 V69 L79 C80 A86 G87 A88 V91 I137	M57-A83 HydrophobicContact SD-CB 4.04Å; M57-A83 PolarHBondContact SD-N 2.99Å; F64-A83 HydrophobicContact CD1-CB 4.38Å; V69-A83 HydrophobicContact CB-CB 4.42Å; V69-A83 HydrophobicContact CG1-CB 4.07Å; V69-A83 HydrophobicContact CG2-CB 4.38Å; L79-A83 PolarHBondContact O-N 2.79Å; C80-A83 PolarHBondContact O-N 3.28Å; A83-A86 WeakPolarHBondContact O-CB 3.36Å; A83-A86 PolarHBondContact O-N 3.27Å; A83-A86 VanDerWaalsContact O-N 3.16Å; A83-G87 PolarHBondContact O-N 3.48Å; A83-A88 WeakPolarHBondContact O-CB 3.45Å; A83-A88 PolarHBondContact O-N 2.79Å; A83-V91 HydrophobicContact CB-CG1 4.34Å; A83-V91 HydrophobicContact CB-CG2 3.93Å; A83-I137 HydrophobicContact CB-CD1 4.01Å
84	A	98.9	Very high	98.7	Very high	11 Å²	11	24.2 Å²	24.2	9%	0.091	13%	0.125	C	C	.	.	H	α-helix	trans	-60.8	-47.6	175.2	0	0	0	0	0	111.8	C80 F82 A86 G87 V91 L112 V115 V116	C80-A84 PolarHBondContact O-N 3.05Å; F82-A84 VanDerWaalsContact C-N 3.33Å; F82-A84 PolarHBondContact O-N 3.28Å; A84-A86 PolarHBondContact O-N 3.29Å; A84-G87 PolarHBondContact O-N 3.06Å; A84-V91 HydrophobicContact CB-CG2 4.2Å; A84-L112 HydrophobicContact CB-CD2 4.13Å; A84-V115 HydrophobicContact CB-CB 4.38Å; A84-V115 HydrophobicContact CB-CG1 3.85Å; A84-V116 HydrophobicContact CB-CG2 3.73Å
85	K	98.8	Very high	98.7	Very high	118 Å²	118	24.7 Å²	24.7	51%	0.513	13%	0.126	S	C	.	.	H	α-helix	trans	-67.6	-19	176.1	-68.1	-68.7	-175.2	-167.8	0	113.7	F58 K61 M81 F82 G87 L112	F58-K85 HydrophobicContact CE1-CB 3.85Å; F58-K85 HydrophobicContact CZ-CB 3.8Å; K61-K85 PolarHBondContact NZ-O 3.46Å; M81-K85 WeakPolarHBondContact O-CB 3.4Å; M81-K85 VanDerWaalsContact O-CG 3.31Å; M81-K85 WeakPolarHBondContact O-CG 3.36Å; M81-K85 PolarHBondContact O-N 2.9Å; F82-K85 PolarHBondContact O-N 2.97Å; K85-G87 VanDerWaalsContact C-N 3.27Å; K85-L112 HydrophobicContact CD-CD2 4.45Å
86	A	98.8	Very high	98.5	Very high	2 Å²	2	26.6 Å²	26.6	2%	0.017	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-8.6	171.8	0	0	0	0	0	113.2	M57 F58 K61 F64 F82 A83 A84	M57-A86 HydrophobicContact CB-CB 3.98Å; F58-A86 HydrophobicContact CD1-CB 4.41Å; K61-A86 WeakPolarHBondContact CB-O 3.49Å; K61-A86 HydrophobicContact CG-CB 4.29Å; K61-A86 WeakPolarHBondContact CG-O 3.16Å; F64-A86 HydrophobicContact CB-CB 3.92Å; F64-A86 HydrophobicContact CD2-CB 4.46Å; F64-A86 HydrophobicContact CG-CB 4.07Å; F82-A86 WeakPolarHBondContact O-CB 3.39Å; F82-A86 PolarHBondContact O-N 3.23Å; A83-A86 WeakPolarHBondContact O-CB 3.36Å; A83-A86 PolarHBondContact O-N 3.27Å; A83-A86 VanDerWaalsContact O-N 3.16Å; A84-A86 PolarHBondContact O-N 3.29Å
87	G	98.8	Very high	98.2	Very high	32 Å²	32	25.7 Å²	25.7	33%	0.33	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	105.6	15.3	174.3	0	0	0	0	0	114.9	K65 D66 A83 A84 K85	K65-G87 WeakPolarHBondContact CA-O 3.47Å; D66-G87 PolarHBondContact N-O 3.47Å; A83-G87 PolarHBondContact O-N 3.48Å; A84-G87 PolarHBondContact O-N 3.06Å; K85-G87 VanDerWaalsContact C-N 3.27Å
88	A	98.8	Very high	98	Very high	7 Å²	7	25.7 Å²	25.7	6%	0.058	13%	0.133	C	C	.	.			trans	-55.8	139.3	173.5	0	0	0	0	0	111.3	F64 V69 A83 V91 V115	F64-A88 VanDerWaalsContact O-CA 3.29Å; F64-A88 WeakPolarHBondContact O-CA 3.27Å; F64-A88 PolarHBondContact O-N 3.1Å; V69-A88 HydrophobicContact CG2-CB 3.74Å; A83-A88 WeakPolarHBondContact O-CB 3.45Å; A83-A88 PolarHBondContact O-N 2.79Å; A88-V91 HydrophobicContact CB-CG2 3.59Å; A88-V115 WeakPolarHBondContact O-CG1 3.47Å
89	K	98.7	Very high	97.7	Very high	151 Å²	151	24.4 Å²	24.4	66%	0.657	13%	0.126	S	C	*	.	S	Bend	trans	-70.4	-38.2	175.1	175.3	176.2	179	-178.1	0	111.4	K67	K67-K89 PolarHBondContact O-N 2.85Å
90	K	98.8	Very high	97.6	Very high	60 Å²	60	24.1 Å²	24.1	26%	0.261	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	138.6	179.4	-174.4	171.9	-175.5	173.6	0	108.8	K67 V68 V69 I92 V115	K67-K90 PolarHBondContact O-N 2.87Å; V68-K90 WeakPolarHBondContact CA-O 3.49Å; V68-K90 HydrophobicContact CG1-CB 4.47Å; V69-K90 PolarHBondContact N-O 2.93Å; K90-I92 HydrophobicContact CD-CD1 4.48Å; K90-I92 HydrophobicContact CD-CG1 4.47Å; K90-I92 HydrophobicContact CG-CG1 4.31Å; K90-V115 WeakPolarHBondContact CA-O 3.4Å
91	V	98.9	Very high	97.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130	174.2	-174.2	0	0	0	0	108.4	V69 C80 A83 A84 A88 V115 V116 T117	V69-V91 HydrophobicContact CB-CG1 4.35Å; V69-V91 HydrophobicContact CB-CG2 4.28Å; V69-V91 CarbonylContact O-C 3.58Å; V69-V91 WeakPolarHBondContact O-CA 3.48Å; C80-V91 HydrophobicContact CB-CG1 3.83Å; A83-V91 HydrophobicContact CB-CG1 4.34Å; A83-V91 HydrophobicContact CB-CG2 3.93Å; A84-V91 HydrophobicContact CB-CG2 4.2Å; A88-V91 HydrophobicContact CB-CG2 3.59Å; V91-V115 HydrophobicContact CG2-CG1 4.21Å; V91-V115 PolarHBondContact N-O 3.02Å; V91-V116 HydrophobicContact CB-CG2 4.1Å; V91-V116 HydrophobicContact CG2-CG2 4.49Å; V91-V116 CarbonylContact O-C 3.57Å; V91-V116 WeakPolarHBondContact O-CA 3.34Å; V91-T117 PolarHBondContact O-N 2.79Å
92	I	98.9	Very high	97.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118	177.8	-57.2	162.2	0	0	0	107.3	V68 V69 L70 D71 K90 T117 I119 L128 P129 V130	V68-I92 HydrophobicContact CG1-CD1 4.48Å; V69-I92 PolarHBondContact O-N 3.12Å; L70-I92 CarbonylContact C-O 3.55Å; L70-I92 WeakPolarHBondContact CA-O 3.35Å; L70-I92 HydrophobicContact CD1-CB 4.32Å; L70-I92 HydrophobicContact CD1-CG2 4.32Å; L70-I92 WeakPolarHBondContact CD1-O 3.22Å; D71-I92 PolarHBondContact N-O 3Å; K90-I92 HydrophobicContact CD-CD1 4.48Å; K90-I92 HydrophobicContact CD-CG1 4.47Å; K90-I92 HydrophobicContact CG-CG1 4.31Å; I92-T117 CarbonylContact C-O 3.56Å; I92-T117 WeakPolarHBondContact CA-O 3.45Å; I92-I119 HydrophobicContact CG2-CD1 3.64Å; I92-I119 HydrophobicContact CG2-CG1 4.13Å; I92-L128 HydrophobicContact CD1-CD2 4.42Å; I92-L128 HydrophobicContact CG2-CD2 3.83Å; I92-P129 HydrophobicContact CD1-CG 4.15Å; I92-V130 HydrophobicContact CD1-CG2 3.97Å
93	G	98.8	Very high	97.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	132.2	171.8	0	0	0	0	0	110.7	D71 T117 I118 I119	D71-G93 WeakPolarHBondContact O-CA 3.18Å; G93-T117 PolarHBondContact N-O 2.85Å; G93-I118 CarbonylContact O-C 3.15Å; G93-I118 WeakPolarHBondContact O-CA 3.38Å; G93-I119 PolarHBondContact O-N 3.29Å
94	I	98.7	Very high	97.3	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.5	170.3	-57.6	169.8	0	0	0	108.3	L70 D71 G73 S74 I119 G121 V123 V126 L128 W161	L70-I94 HydrophobicContact CD1-CD1 3.82Å; L70-I94 HydrophobicContact CD1-CG1 4.05Å; D71-I94 PolarHBondContact O-N 3.45Å; G73-I94 CarbonylContact C-O 3.55Å; G73-I94 VanDerWaalsContact CA-O 3.28Å; G73-I94 WeakPolarHBondContact CA-O 3.32Å; G73-I94 PolarHBondContact N-O 3.22Å; S74-I94 PolarHBondContact N-O 3.18Å; S74-I94 PolarHBondContact OG-O 2.89Å; I94-I119 WeakPolarHBondContact CA-O 3.34Å; I94-I119 HydrophobicContact CG1-CB 4.49Å; I94-G121 WeakPolarHBondContact CG2-O 3.21Å; I94-V123 HydrophobicContact CB-CG2 4.15Å; I94-V123 HydrophobicContact CD1-CG1 4.32Å; I94-V123 HydrophobicContact CD1-CG2 4.41Å; I94-V123 HydrophobicContact CG2-CG2 3.74Å; I94-V126 HydrophobicContact CD1-CG2 3.64Å; I94-V126 HydrophobicContact CG1-CG2 4.14Å; I94-V126 HydrophobicContact CG2-CG2 3.99Å; I94-L128 HydrophobicContact CD1-CD2 4.05Å; I94-W161 HydrophobicContact CD1-CH2 4.2Å; I94-W161 HydrophobicContact CD1-CZ3 4.07Å
95	E	97.4	Very high	97.2	Very high	16 Å²	16	36.6 Å²	36.6	8%	0.075	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	127.6	176.9	176.2	53.2	-106.6	0	0	110.6	S74 G75 S97 I99 I119 K120 G121	S74-E95 WeakPolarHBondContact OG-CB 3.32Å; G75-E95 VanDerWaalsContact CA-OE2 3.27Å; G75-E95 WeakPolarHBondContact CA-OE2 3.32Å; G75-E95 PolarHBondContact N-OE2 2.83Å; E95-S97 WeakPolarHBondContact OE1-CB 3.44Å; E95-S97 PolarHBondContact OE1-N 3.11Å; E95-I99 HydrophobicContact CG-CG2 3.7Å; E95-I119 PolarHBondContact N-O 2.91Å; E95-K120 CarbonylContact O-C 3.58Å; E95-K120 VanDerWaalsContact O-CA 3.23Å; E95-K120 WeakPolarHBondContact O-CA 3.12Å; E95-G121 CarbonylContact C-O 3.6Å; E95-G121 PolarHBondContact O-N 3.29Å
96	C	93.8	Very high	97.2	Very high	48 Å²	48	33.8 Å²	33.8	32%	0.324	17%	0.173	S	C	.	.			trans	-89.9	-17.3	-177.6	75.7	0	0	0	0	113.3	K18 G121 K122	K18-C96 PolarHBondContact NZ-O 3.03Å; C96-G121 VanDerWaalsContact CA-O 3.3Å; C96-G121 WeakPolarHBondContact CA-O 3.43Å; C96-G121 WeakPolarHBondContact CB-O 3.23Å; C96-G121 PolarHBondContact N-O 3.1Å; C96-K122 HydrophobicContact CB-CG 4.06Å
97	S	92.8	Very high	97.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	17%	0.173	C	C	.	.	S	Bend	trans	-82	155.2	179.1	-179	0	0	0	0	112.2	D32 Y34 A35 E95 I99 S100	D32-S97 WeakPolarHBondContact OD1-CA 3.43Å; D32-S97 WeakPolarHBondContact OD1-CB 3.41Å; D32-S97 PolarHBondContact OD1-OG 3.09Å; D32-S97 WeakPolarHBondContact OD2-CA 3.43Å; Y34-S97 PolarHBondContact O-OG 3.24Å; A35-S97 VanDerWaalsContact CA-OG 3.27Å; A35-S97 WeakPolarHBondContact CA-OG 3.49Å; A35-S97 PolarHBondContact N-OG 3.39Å; E95-S97 WeakPolarHBondContact OE1-CB 3.44Å; E95-S97 PolarHBondContact OE1-N 3.11Å; S97-I99 PolarHBondContact O-N 3.32Å; S97-S100 WeakPolarHBondContact O-CB 3.34Å; S97-S100 PolarHBondContact O-N 3.02Å; S97-S100 PolarHBondContact O-OG 3.32Å
98	S	93.1	Very high	97.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-12.2	174.2	70.3	0	0	0	0	113.9	M24 D32 A35 S100 D101	M24-S98 WeakPolarHBondContact CE-OG 3.3Å; M24-S98 PolarHBondContact SD-OG 3.25Å; D32-S98 PolarHBondContact OD2-N 3.36Å; A35-S98 WeakPolarHBondContact CB-OG 3.43Å; S98-S100 PolarHBondContact O-N 3.11Å; S98-S100 VanDerWaalsContact O-N 3.08Å; S98-D101 WeakPolarHBondContact O-CB 3.18Å; S98-D101 PolarHBondContact O-N 3.41Å
99	I	94.1	Very high	97.2	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.036	21%	0.214	C	C	.	.	H	α-helix	trans	-55.6	-26.2	170.6	-162.8	74.1	0	0	0	112.5	H40 T76 E95 S97 D101 Y102 A103	H40-I99 WeakPolarHBondContact NE2-CG1 3.18Å; T76-I99 HydrophobicContact CG2-CD1 4.33Å; T76-I99 HydrophobicContact CG2-CG1 4.05Å; E95-I99 HydrophobicContact CG-CG2 3.7Å; S97-I99 PolarHBondContact O-N 3.32Å; I99-D101 PolarHBondContact O-N 2.97Å; I99-Y102 HydrophobicContact CD1-CD2 4.13Å; I99-Y102 WeakPolarHBondContact O-CA 3.4Å; I99-Y102 WeakPolarHBondContact O-CB 3.23Å; I99-Y102 PolarHBondContact O-N 3.26Å; I99-A103 PolarHBondContact O-N 2.95Å
100	S	95.6	Very high	97.2	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.014	20%	0.203	C	C	.	.	H	α-helix	trans	-54.5	-32.5	173.1	55	0	0	0	0	113.5	S97 S98 Y102 A103 V104 K120	S97-S100 WeakPolarHBondContact O-CB 3.34Å; S97-S100 PolarHBondContact O-N 3.02Å; S97-S100 PolarHBondContact O-OG 3.32Å; S98-S100 PolarHBondContact O-N 3.11Å; S98-S100 VanDerWaalsContact O-N 3.08Å; S100-Y102 VanDerWaalsContact C-N 3.25Å; S100-Y102 PolarHBondContact O-N 3.22Å; S100-A103 WeakPolarHBondContact O-CB 3.48Å; S100-A103 PolarHBondContact O-N 3.22Å; S100-A103 VanDerWaalsContact O-N 3.15Å; S100-V104 WeakPolarHBondContact O-CG2 3.47Å; S100-V104 PolarHBondContact O-N 3.19Å; S100-K120 VanDerWaalsContact OG-CD 3.31Å; S100-K120 WeakPolarHBondContact OG-CD 3.28Å; S100-K120 VanDerWaalsContact OG-CG 3.32Å; S100-K120 WeakPolarHBondContact OG-CG 3.35Å
101	D	95.3	Very high	97.2	Very high	49 Å²	49	42.2 Å²	42.2	26%	0.262	22%	0.224	S	C	.	.	H	α-helix	trans	-62.7	-36.6	177.3	-58.7	-22.6	0	0	0	110.5	A21 S98 I99 K105 K120	A21-D101 HydrophobicContact CB-CB 4.45Å; A21-D101 PolarHBondContact N-OD2 3.17Å; S98-D101 WeakPolarHBondContact O-CB 3.18Å; S98-D101 PolarHBondContact O-N 3.41Å; I99-D101 PolarHBondContact O-N 2.97Å; D101-K105 WeakPolarHBondContact O-CG 3.38Å; D101-K120 IonicContact OD1-NZ 3.16Å; D101-K120 PolarHBondContact OD1-NZ 3.18Å; D101-K120 IonicContact OD2-NZ 2.76Å; D101-K120 PolarHBondContact OD2-NZ 2.62Å
102	Y	96.9	Very high	97.2	Very high	89 Å²	89	42.9 Å²	42.9	35%	0.349	23%	0.227	S	C	.	.	H	α-helix	trans	-76.7	-37.7	172.7	-64.6	-70.8	0	0	0	112.2	A21 I99 S100 V104 K105 I106	A21-Y102 HydrophobicContact CB-CD2 4.03Å; A21-Y102 HydrophobicContact CB-CE2 3.37Å; I99-Y102 HydrophobicContact CD1-CD2 4.13Å; I99-Y102 WeakPolarHBondContact O-CA 3.4Å; I99-Y102 WeakPolarHBondContact O-CB 3.23Å; I99-Y102 PolarHBondContact O-N 3.26Å; S100-Y102 VanDerWaalsContact C-N 3.25Å; S100-Y102 PolarHBondContact O-N 3.22Å; Y102-V104 VanDerWaalsContact C-N 3.27Å; Y102-V104 PolarHBondContact O-N 3.44Å; Y102-K105 HydrophobicContact CD1-CD 4.49Å; Y102-K105 CarbonylContact O-C 3.59Å; Y102-K105 WeakPolarHBondContact O-CA 3.09Å; Y102-K105 WeakPolarHBondContact O-CB 3.13Å; Y102-K105 PolarHBondContact O-N 3.44Å; Y102-I106 VanDerWaalsContact O-CG1 3.27Å; Y102-I106 WeakPolarHBondContact O-CG1 3.38Å; Y102-I106 PolarHBondContact O-N 2.83Å
103	A	98.2	Very high	97.2	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-56.2	-42.6	177.3	0	0	0	0	0	111.8	G75 I99 S100 K105 I106 V107 I118	G75-A103 WeakPolarHBondContact O-CB 3.24Å; I99-A103 PolarHBondContact O-N 2.95Å; S100-A103 WeakPolarHBondContact O-CB 3.48Å; S100-A103 PolarHBondContact O-N 3.22Å; S100-A103 VanDerWaalsContact O-N 3.15Å; A103-K105 PolarHBondContact O-N 2.82Å; A103-I106 PolarHBondContact O-N 3.39Å; A103-V107 WeakPolarHBondContact O-CB 3.3Å; A103-V107 VanDerWaalsContact O-CG2 3.29Å; A103-V107 WeakPolarHBondContact O-CG2 3.42Å; A103-V107 PolarHBondContact O-N 3.01Å; A103-I118 HydrophobicContact CB-CG1 4.29Å
104	V	98.4	Very high	97.1	Very high	79 Å²	79	53.3 Å²	53.3	48%	0.479	28%	0.283	S	S	.	.	H	α-helix	trans	-59	-46.4	174	173.6	0	0	0	0	111.5	S100 Y102 K108 I118	S100-V104 WeakPolarHBondContact O-CG2 3.47Å; S100-V104 PolarHBondContact O-N 3.19Å; Y102-V104 VanDerWaalsContact C-N 3.27Å; Y102-V104 PolarHBondContact O-N 3.44Å; V104-K108 PolarHBondContact O-N 2.85Å; V104-K108 VanDerWaalsContact O-N 3.16Å; V104-I118 HydrophobicContact CG2-CB 3.86Å; V104-I118 HydrophobicContact CG2-CG1 4.28Å; V104-I118 HydrophobicContact CG2-CG2 4.32Å
105	K	98.4	Very high	97.1	Very high	107 Å²	107	54.6 Å²	54.6	47%	0.465	29%	0.291	S	S	.	.	H	α-helix	trans	-62.5	-42.8	177.4	-65.7	174.7	-176	175.8	0	111.3	E22 D101 Y102 A103 A109	E22-K105 IonicContact OE1-NZ 2.74Å; E22-K105 PolarHBondContact OE1-NZ 3.39Å; D101-K105 WeakPolarHBondContact O-CG 3.38Å; Y102-K105 HydrophobicContact CD1-CD 4.49Å; Y102-K105 CarbonylContact O-C 3.59Å; Y102-K105 WeakPolarHBondContact O-CA 3.09Å; Y102-K105 WeakPolarHBondContact O-CB 3.13Å; Y102-K105 PolarHBondContact O-N 3.44Å; A103-K105 PolarHBondContact O-N 2.82Å; K105-A109 WeakPolarHBondContact O-CB 3.42Å; K105-A109 PolarHBondContact O-N 2.91Å
106	I	98.7	Very high	97.2	Very high	58 Å²	58	54.1 Å²	54.1	30%	0.297	29%	0.289	S	S	.	.	H	α-helix	trans	-64.5	-48.3	-180	-69.9	163.9	0	0	0	111	M81 Y102 A103 K108 A109 N110	M81-I106 HydrophobicContact CE-CG2 3.59Å; M81-I106 HydrophobicContact SD-CG2 3.93Å; Y102-I106 VanDerWaalsContact O-CG1 3.27Å; Y102-I106 WeakPolarHBondContact O-CG1 3.38Å; Y102-I106 PolarHBondContact O-N 2.83Å; A103-I106 PolarHBondContact O-N 3.39Å; I106-K108 VanDerWaalsContact C-N 3.33Å; I106-K108 PolarHBondContact O-N 3.33Å; I106-A109 PolarHBondContact O-N 3.36Å; I106-N110 PolarHBondContact O-N 3.35Å; I106-N110 VanDerWaalsContact O-N 3.14Å; I106-N110 PolarHBondContact O-ND2 3.17Å
107	V	98.8	Very high	97.4	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.018	29%	0.292	C	S	.	.	H	α-helix	trans	-57.4	-47.7	178.5	164.6	0	0	0	0	110.7	M81 A103 N110 N111 L112 D113 V116	M81-V107 HydrophobicContact CG-CG2 4.37Å; A103-V107 WeakPolarHBondContact O-CB 3.3Å; A103-V107 VanDerWaalsContact O-CG2 3.29Å; A103-V107 WeakPolarHBondContact O-CG2 3.42Å; A103-V107 PolarHBondContact O-N 3.01Å; V107-N110 PolarHBondContact O-N 3.1Å; V107-N111 PolarHBondContact O-N 2.82Å; V107-L112 HydrophobicContact CG1-CB 4.18Å; V107-L112 PolarHBondContact O-N 3.33Å; V107-D113 HydrophobicContact CG1-CB 4.07Å; V107-V116 HydrophobicContact CG1-CB 3.72Å; V107-V116 HydrophobicContact CG1-CG1 4.05Å; V107-V116 HydrophobicContact CG2-CB 4.31Å; V107-V116 HydrophobicContact CG2-CG1 3.8Å
108	K	98.7	Very high	97.7	Very high	138 Å²	138	56.1 Å²	56.1	60%	0.6	30%	0.298	S	S	*	.	H	α-helix	trans	-63.8	-42.9	177.5	-175.1	173.3	-174.9	175.1	0	112.5	V104 I106 N110 N111 D113	V104-K108 PolarHBondContact O-N 2.85Å; V104-K108 VanDerWaalsContact O-N 3.16Å; I106-K108 VanDerWaalsContact C-N 3.33Å; I106-K108 PolarHBondContact O-N 3.33Å; K108-N110 PolarHBondContact O-N 3.28Å; K108-N110 VanDerWaalsContact O-N 3.15Å; K108-N111 PolarHBondContact O-N 2.86Å; K108-D113 HydrophobicContact CB-CB 4.37Å
109	A	98.7	Very high	98	Very high	77 Å²	77	57.9 Å²	57.9	64%	0.636	31%	0.307	S	S	*	.	H	α-helix	trans	-61.5	-23	177.5	0	0	0	0	0	113.1	K105 I106	K105-A109 WeakPolarHBondContact O-CB 3.42Å; K105-A109 PolarHBondContact O-N 2.91Å; I106-A109 PolarHBondContact O-N 3.36Å
110	N	98.8	Very high	98.1	Very high	82 Å²	82	61.7 Å²	61.7	44%	0.439	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	7.7	177.6	-73.5	-84.8	0	0	0	113.7	M81 I106 V107 K108 L112	M81-N110 HydrophobicContact SD-CB 4.15Å; I106-N110 PolarHBondContact O-N 3.35Å; I106-N110 VanDerWaalsContact O-N 3.14Å; I106-N110 PolarHBondContact O-ND2 3.17Å; V107-N110 PolarHBondContact O-N 3.1Å; K108-N110 PolarHBondContact O-N 3.28Å; K108-N110 VanDerWaalsContact O-N 3.15Å; N110-L112 HydrophobicContact CB-CD1 4.28Å; N110-L112 HydrophobicContact CB-CG 4.46Å; N110-L112 PolarHBondContact O-N 2.86Å
111	N	98.6	Very high	98.1	Very high	130 Å²	130	62.5 Å²	62.5	70%	0.695	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	49.5	-178.8	-46.4	-57.2	0	0	0	112.1	V107 K108	V107-N111 PolarHBondContact O-N 2.82Å; K108-N111 PolarHBondContact O-N 2.86Å
112	L	98.8	Very high	98.1	Very high	14 Å²	14	65.1 Å²	65.1	7%	0.073	34%	0.342	C	S	.	.			trans	-123.5	5.6	178.5	-68.2	174.1	0	0	0	112.4	M81 A84 K85 V107 N110 D114 V115 V116	M81-L112 HydrophobicContact CB-CD1 3.81Å; M81-L112 HydrophobicContact CG-CD1 3.62Å; M81-L112 HydrophobicContact SD-CD1 4.14Å; A84-L112 HydrophobicContact CB-CD2 4.13Å; K85-L112 HydrophobicContact CD-CD2 4.45Å; V107-L112 HydrophobicContact CG1-CB 4.18Å; V107-L112 PolarHBondContact O-N 3.33Å; N110-L112 HydrophobicContact CB-CD1 4.28Å; N110-L112 HydrophobicContact CB-CG 4.46Å; N110-L112 PolarHBondContact O-N 2.86Å; L112-D114 PolarHBondContact O-N 2.94Å; L112-V115 PolarHBondContact O-N 2.91Å; L112-V115 VanDerWaalsContact O-N 3.11Å; L112-V116 HydrophobicContact CB-CG2 4.2Å; L112-V116 WeakPolarHBondContact O-CB 3.39Å; L112-V116 PolarHBondContact O-N 2.84Å
113	D	98.1	Very high	98.1	Very high	86 Å²	86	61.3 Å²	61.3	46%	0.46	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-11.2	-177.9	53.4	-47.6	0	0	0	113.9	V107 K108	V107-D113 HydrophobicContact CG1-CB 4.07Å; K108-D113 HydrophobicContact CB-CB 4.37Å
114	D	98.3	Very high	98.1	Very high	132 Å²	132	64.9 Å²	64.9	71%	0.706	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-26.1	168.5	65.1	-42.7	0	0	0	113.1	L112	L112-D114 PolarHBondContact O-N 2.94Å
115	V	98.7	Very high	98	Very high	29 Å²	29	67.2 Å²	67.2	18%	0.176	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-38.6	-178.4	179.3	0	0	0	0	112.1	A84 A88 K90 V91 L112	A84-V115 HydrophobicContact CB-CB 4.38Å; A84-V115 HydrophobicContact CB-CG1 3.85Å; A88-V115 WeakPolarHBondContact O-CG1 3.47Å; K90-V115 WeakPolarHBondContact CA-O 3.4Å; V91-V115 HydrophobicContact CG2-CG1 4.21Å; V91-V115 PolarHBondContact N-O 3.02Å; L112-V115 PolarHBondContact O-N 2.91Å; L112-V115 VanDerWaalsContact O-N 3.11Å
116	V	98.8	Very high	97.9	Very high	6 Å²	6	63 Å²	63	4%	0.036	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.4	-172.6	-178.5	0	0	0	0	110.4	C80 A84 V91 V107 L112 I118	C80-V116 HydrophobicContact CB-CG1 3.7Å; C80-V116 HydrophobicContact CB-CG2 4.44Å; A84-V116 HydrophobicContact CB-CG2 3.73Å; V91-V116 HydrophobicContact CB-CG2 4.1Å; V91-V116 HydrophobicContact CG2-CG2 4.49Å; V91-V116 CarbonylContact O-C 3.57Å; V91-V116 WeakPolarHBondContact O-CA 3.34Å; V107-V116 HydrophobicContact CG1-CB 3.72Å; V107-V116 HydrophobicContact CG1-CG1 4.05Å; V107-V116 HydrophobicContact CG2-CB 4.31Å; V107-V116 HydrophobicContact CG2-CG1 3.8Å; L112-V116 HydrophobicContact CB-CG2 4.2Å; L112-V116 WeakPolarHBondContact O-CB 3.39Å; L112-V116 PolarHBondContact O-N 2.84Å; V116-I118 HydrophobicContact CG1-CD1 4.02Å
117	T	98.7	Very high	97.9	Very high	63 Å²	63	66.5 Å²	66.5	39%	0.387	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.4	172.2	-53.5	0	0	0	0	109.8	V91 I92 G93	V91-T117 PolarHBondContact O-N 2.79Å; I92-T117 CarbonylContact C-O 3.56Å; I92-T117 WeakPolarHBondContact CA-O 3.45Å; G93-T117 PolarHBondContact N-O 2.85Å
118	I	98.6	Very high	97.8	Very high	27 Å²	27	67.2 Å²	67.2	14%	0.138	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.2	174.9	-54.8	-59.2	0	0	0	109.4	G93 A103 V104 V116	G93-I118 CarbonylContact O-C 3.15Å; G93-I118 WeakPolarHBondContact O-CA 3.38Å; A103-I118 HydrophobicContact CB-CG1 4.29Å; V104-I118 HydrophobicContact CG2-CB 3.86Å; V104-I118 HydrophobicContact CG2-CG1 4.28Å; V104-I118 HydrophobicContact CG2-CG2 4.32Å; V116-I118 HydrophobicContact CG1-CD1 4.02Å
119	I	98.2	Very high	97.5	Very high	37 Å²	37	64.7 Å²	64.7	19%	0.19	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	116.9	175.8	-58.2	177.6	0	0	0	107.8	I92 G93 I94 E95 V126 L128	I92-I119 HydrophobicContact CG2-CD1 3.64Å; I92-I119 HydrophobicContact CG2-CG1 4.13Å; G93-I119 PolarHBondContact O-N 3.29Å; I94-I119 WeakPolarHBondContact CA-O 3.34Å; I94-I119 HydrophobicContact CG1-CB 4.49Å; E95-I119 PolarHBondContact N-O 2.91Å; I119-V126 HydrophobicContact CG2-CB 4.12Å; I119-V126 HydrophobicContact CG2-CG1 3.91Å; I119-V126 HydrophobicContact CG2-CG2 4.44Å; I119-L128 HydrophobicContact CD1-CD2 4.11Å
120	K	97.4	Very high	97.3	Very high	87 Å²	87	63 Å²	63	38%	0.378	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	116.8	175.9	-172.5	173.1	-168.9	173.2	0	110.2	E95 S100 D101	E95-K120 CarbonylContact O-C 3.58Å; E95-K120 VanDerWaalsContact O-CA 3.23Å; E95-K120 WeakPolarHBondContact O-CA 3.12Å; S100-K120 VanDerWaalsContact OG-CD 3.31Å; S100-K120 WeakPolarHBondContact OG-CD 3.28Å; S100-K120 VanDerWaalsContact OG-CG 3.32Å; S100-K120 WeakPolarHBondContact OG-CG 3.35Å; D101-K120 IonicContact OD1-NZ 3.16Å; D101-K120 PolarHBondContact OD1-NZ 3.18Å; D101-K120 IonicContact OD2-NZ 2.76Å; D101-K120 PolarHBondContact OD2-NZ 2.62Å
121	G	95.9	Very high	97.1	Very high	19 Å²	19	68.6 Å²	68.6	20%	0.196	36%	0.355	C	S	.	.	S	Bend	trans	159.7	172.4	179.7	0	0	0	0	0	113	I94 E95 C96	I94-G121 WeakPolarHBondContact CG2-O 3.21Å; E95-G121 CarbonylContact C-O 3.6Å; E95-G121 PolarHBondContact O-N 3.29Å; C96-G121 VanDerWaalsContact CA-O 3.3Å; C96-G121 WeakPolarHBondContact CA-O 3.43Å; C96-G121 WeakPolarHBondContact CB-O 3.23Å; C96-G121 PolarHBondContact N-O 3.1Å
122	K	95	Very high	97	Very high	105 Å²	105	62.9 Å²	62.9	46%	0.457	33%	0.327	S	S	.	.			trans	-76.2	143.4	171.3	-59.2	-169	-156.4	141.8	0	110	C96 E124 E125 V126	C96-K122 HydrophobicContact CB-CG 4.06Å; K122-E124 PolarHBondContact O-N 2.75Å; K122-E125 HydrophobicContact CB-CB 4.22Å; K122-E125 HydrophobicContact CB-CG 4.08Å; K122-E125 WeakPolarHBondContact CD-OE1 3.37Å; K122-E125 WeakPolarHBondContact CE-OE1 3.24Å; K122-E125 IonicContact NZ-OE1 3.17Å; K122-E125 PolarHBondContact NZ-OE1 3.08Å; K122-E125 IonicContact NZ-OE2 2.87Å; K122-E125 PolarHBondContact O-N 2.82Å; K122-V126 WeakPolarHBondContact O-CG1 3.25Å; K122-V126 PolarHBondContact O-N 3.02Å; K122-V126 VanDerWaalsContact O-N 3.17Å
123	V	97.3	Very high	97	Very high	9 Å²	9	62.2 Å²	62.2	6%	0.055	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-37.9	-178.7	-179.7	0	0	0	0	111.1	V72 I94 E125 T153 Y156 A157 W161	V72-V123 HydrophobicContact CG1-CG2 4.07Å; I94-V123 HydrophobicContact CB-CG2 4.15Å; I94-V123 HydrophobicContact CD1-CG1 4.32Å; I94-V123 HydrophobicContact CD1-CG2 4.41Å; I94-V123 HydrophobicContact CG2-CG2 3.74Å; V123-E125 PolarHBondContact O-N 2.61Å; V123-T153 HydrophobicContact CB-CG2 3.45Å; V123-T153 VanDerWaalsContact CB-CG2 3.45Å; V123-T153 HydrophobicContact CG1-CG2 3.82Å; V123-T153 HydrophobicContact CG2-CG2 3.43Å; V123-T153 VanDerWaalsContact CG2-CG2 3.43Å; V123-Y156 HydrophobicContact CG1-CD1 4.25Å; V123-A157 HydrophobicContact CG1-CB 4.08Å; V123-W161 HydrophobicContact CG1-CH2 4.33Å; V123-W161 HydrophobicContact CG1-CZ3 3.7Å; V123-W161 VanDerWaalsContact O-CH2 3.23Å; V123-W161 WeakPolarHBondContact O-CH2 3.39Å
124	E	97.3	Very high	97.1	Very high	74 Å²	74	59.6 Å²	59.6	35%	0.346	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-13.9	-179.1	-57.1	79.9	-177.4	0	0	113.6	K122 T153 Y156	K122-E124 PolarHBondContact O-N 2.75Å; E124-T153 WeakPolarHBondContact OE1-CB 3.47Å; E124-T153 WeakPolarHBondContact OE1-CG2 3.27Å; E124-T153 PolarHBondContact OE1-OG1 3.03Å; E124-Y156 HydrophobicContact CB-CE1 4.32Å; E124-Y156 HydrophobicContact CB-CE2 4.4Å; E124-Y156 HydrophobicContact CG-CD1 4.12Å; E124-Y156 HydrophobicContact CG-CD2 4.14Å; E124-Y156 HydrophobicContact CG-CE1 4.33Å; E124-Y156 HydrophobicContact CG-CE2 4.32Å; E124-Y156 HydrophobicContact CG-CG 4.04Å; E124-Y156 PolarHBondContact O-OH 3.45Å
125	E	97.1	Very high	97.1	Very high	129 Å²	129	53.4 Å²	53.4	60%	0.603	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.2	-13	-171.8	-64.3	172.4	-174.1	0	0	113.3	K122 V123	K122-E125 HydrophobicContact CB-CB 4.22Å; K122-E125 HydrophobicContact CB-CG 4.08Å; K122-E125 WeakPolarHBondContact CD-OE1 3.37Å; K122-E125 WeakPolarHBondContact CE-OE1 3.24Å; K122-E125 IonicContact NZ-OE1 3.17Å; K122-E125 PolarHBondContact NZ-OE1 3.08Å; K122-E125 IonicContact NZ-OE2 2.87Å; K122-E125 PolarHBondContact O-N 2.82Å; V123-E125 PolarHBondContact O-N 2.61Å
126	V	96.6	Very high	97.1	Very high	19 Å²	19	52 Å²	52	12%	0.115	27%	0.268	C	S	.	.			trans	-98.7	158.9	-179	-60.2	0	0	0	0	112.3	I94 I119 K122 K160 W161	I94-V126 HydrophobicContact CD1-CG2 3.64Å; I94-V126 HydrophobicContact CG1-CG2 4.14Å; I94-V126 HydrophobicContact CG2-CG2 3.99Å; I119-V126 HydrophobicContact CG2-CB 4.12Å; I119-V126 HydrophobicContact CG2-CG1 3.91Å; I119-V126 HydrophobicContact CG2-CG2 4.44Å; K122-V126 WeakPolarHBondContact O-CG1 3.25Å; K122-V126 PolarHBondContact O-N 3.02Å; K122-V126 VanDerWaalsContact O-N 3.17Å; V126-K160 PolarHBondContact O-NZ 2.79Å; V126-W161 HydrophobicContact CG2-CH2 4.33Å; V126-W161 WeakPolarHBondContact O-CZ2 3.44Å
127	E	96.9	Very high	97.1	Very high	130 Å²	130	51.7 Å²	51.7	61%	0.607	27%	0.266	S	S	*	.			trans	-114.8	143.5	170.9	-68.7	-56.5	147	0	0	110.9	K160	E127-K160 IonicContact OE1-NZ 3.32Å; E127-K160 PolarHBondContact OE1-NZ 2.8Å; E127-K160 IonicContact OE2-NZ 2.84Å
128	L	96.7	Very high	97.1	Very high	18 Å²	18	48.8 Å²	48.8	9%	0.094	25%	0.248	C	C	.	.			trans	-86.7	147.1	177.6	-64.4	-173.8	0	0	0	110.7	L70 I92 I94 I119 V130 V133 W161	L70-L128 HydrophobicContact CD1-CD1 4.2Å; L70-L128 HydrophobicContact CD1-CD2 4.08Å; L70-L128 HydrophobicContact CD2-CD1 4.28Å; I92-L128 HydrophobicContact CD1-CD2 4.42Å; I92-L128 HydrophobicContact CG2-CD2 3.83Å; I94-L128 HydrophobicContact CD1-CD2 4.05Å; I119-L128 HydrophobicContact CD1-CD2 4.11Å; L128-V130 HydrophobicContact CB-CG2 4.09Å; L128-V130 HydrophobicContact CD1-CG2 4.44Å; L128-V130 PolarHBondContact O-N 3.45Å; L128-V133 HydrophobicContact CD1-CG1 3.93Å; L128-W161 HydrophobicContact CD1-CB 4.05Å; L128-W161 HydrophobicContact CD1-CD2 3.57Å; L128-W161 HydrophobicContact CD1-CE3 4.1Å; L128-W161 HydrophobicContact CD1-CG 3.55Å; L128-W161 HydrophobicContact CD1-CZ2 4.47Å; L128-W161 HydrophobicContact CG-CD2 3.95Å; L128-W161 HydrophobicContact CG-CE3 4.49Å; L128-W161 HydrophobicContact CG-CG 4.27Å; L128-W161 HydrophobicContact CG-CH2 4.44Å; L128-W161 HydrophobicContact CG-CZ2 3.92Å
129	P	93.1	Very high	97.1	Very high	85 Å²	85	48.6 Å²	48.6	55%	0.552	25%	0.247	S	C	*	.	S	Bend	trans	-74.4	18.3	173.2	33.8	-38.1	0	0	0	113	I92	I92-P129 HydrophobicContact CD1-CG 4.15Å
130	V	95.6	Very high	97.1	Very high	43 Å²	43	47.1 Å²	47.1	26%	0.261	24%	0.239	S	C	.	.	S	Bend	trans	-146	149.2	-179.4	-65.5	0	0	0	0	108.4	V68 I92 L128 G132 V133	V68-V130 HydrophobicContact CG1-CG2 4.34Å; I92-V130 HydrophobicContact CD1-CG2 3.97Å; L128-V130 HydrophobicContact CB-CG2 4.09Å; L128-V130 HydrophobicContact CD1-CG2 4.44Å; L128-V130 PolarHBondContact O-N 3.45Å; V130-G132 VanDerWaalsContact C-N 3.31Å; V130-G132 PolarHBondContact O-N 3.17Å; V130-V133 HydrophobicContact CG2-CG1 4.14Å
131	E	93.7	Very high	97.2	Very high	198 Å²	198	43.4 Å²	43.4	93%	0.925	22%	0.223	S	C	*	.	S	Bend	trans	-69.5	-28.4	179.3	-66	-178.4	170	0	0	113.1
132	G	97.4	Very high	97.3	Very high	11 Å²	11	42.9 Å²	42.9	11%	0.113	22%	0.218	C	C	.	.			trans	-166.4	166.8	178.8	0	0	0	0	0	113.3	V130 W161 K163	V130-G132 VanDerWaalsContact C-N 3.31Å; V130-G132 PolarHBondContact O-N 3.17Å; G132-W161 CarbonylContact C-O 3.54Å; G132-W161 WeakPolarHBondContact CA-O 3.28Å; G132-K163 VanDerWaalsContact O-CE 3.24Å; G132-K163 WeakPolarHBondContact O-CE 3.2Å
133	V	98.8	Very high	97.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	149.8	-174.8	-57.9	0	0	0	0	111.2	V68 L70 L128 V130 I136 W161 L162 K163	V68-V133 HydrophobicContact CG1-CB 4.42Å; V68-V133 HydrophobicContact CG1-CG1 3.97Å; L70-V133 HydrophobicContact CB-CB 4.25Å; L70-V133 HydrophobicContact CB-CG1 4.08Å; L70-V133 HydrophobicContact CB-CG2 3.86Å; L70-V133 HydrophobicContact CD2-CG2 4.41Å; L128-V133 HydrophobicContact CD1-CG1 3.93Å; V130-V133 HydrophobicContact CG2-CG1 4.14Å; V133-I136 HydrophobicContact CG2-CG1 3.93Å; V133-W161 HydrophobicContact CG2-CB 4.29Å; V133-W161 PolarHBondContact N-O 3.33Å; V133-L162 HydrophobicContact CG2-CD1 4.49Å; V133-K163 WeakPolarHBondContact O-CG 3.16Å; V133-K163 PolarHBondContact O-N 3Å
134	D	98.9	Very high	97.4	Very high	31 Å²	31	40.9 Å²	40.9	17%	0.166	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-29	-178.3	-53	-62.3	0	0	0	111.6	K67 V68 K163 G166 L167	K67-D134 HydrophobicContact CB-CB 4.05Å; K67-D134 HydrophobicContact CD-CB 3.89Å; K67-D134 HydrophobicContact CG-CB 4.25Å; V68-D134 PolarHBondContact N-OD2 3.23Å; V68-D134 PolarHBondContact O-N 3.41Å; D134-K163 WeakPolarHBondContact OD1-CD 3.2Å; D134-K163 IonicContact OD1-NZ 2.6Å; D134-K163 PolarHBondContact OD1-NZ 2.8Å; D134-K163 IonicContact OD2-NZ 2.79Å; D134-G166 CarbonylContact O-C 3.52Å; D134-G166 WeakPolarHBondContact O-CA 3.46Å; D134-L167 PolarHBondContact O-N 3.49Å
135	I	98.9	Very high	97.5	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	134.4	-177.8	-54.2	178.9	0	0	0	109.5	F64 K67 V68 V69 L70 I137 L167 F169	F64-I135 HydrophobicContact CD1-CD1 3.74Å; F64-I135 HydrophobicContact CD2-CD1 4.47Å; F64-I135 HydrophobicContact CE1-CD1 3.82Å; F64-I135 HydrophobicContact CE1-CG2 4.05Å; F64-I135 HydrophobicContact CG-CD1 4.07Å; F64-I135 HydrophobicContact CZ-CD1 4.2Å; F64-I135 HydrophobicContact CZ-CG2 4.36Å; K67-I135 HydrophobicContact CB-CD1 4.3Å; K67-I135 HydrophobicContact CG-CD1 4.24Å; V68-I135 PolarHBondContact O-N 2.76Å; V69-I135 CarbonylContact C-O 3.53Å; V69-I135 WeakPolarHBondContact CA-O 3.35Å; V69-I135 HydrophobicContact CG1-CB 4.32Å; V69-I135 HydrophobicContact CG1-CG2 4.37Å; V69-I135 HydrophobicContact CG2-CB 4.25Å; L70-I135 PolarHBondContact N-O 3.41Å; I135-I137 HydrophobicContact CG2-CG2 3.93Å; I135-L167 CarbonylContact C-O 3.26Å; I135-L167 VanDerWaalsContact CA-O 3.28Å; I135-L167 WeakPolarHBondContact CA-O 3.46Å; I135-L167 HydrophobicContact CG1-CB 4.22Å; I135-L167 HydrophobicContact CG2-CB 4.41Å; I135-F169 HydrophobicContact CG2-CD2 3.9Å; I135-F169 HydrophobicContact CG2-CE2 4.35Å
136	I	98.9	Very high	97.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.6	162.8	-69.9	171.5	0	0	0	108.3	L70 V72 V133 A157 R158 L162 L167 I168 F169	L70-I136 HydrophobicContact CB-CG1 4.18Å; L70-I136 HydrophobicContact CD2-CD1 4.47Å; L70-I136 HydrophobicContact CD2-CG1 4.2Å; L70-I136 CarbonylContact O-C 3.52Å; L70-I136 WeakPolarHBondContact O-CA 3.4Å; V72-I136 HydrophobicContact CG2-CG2 4.01Å; V133-I136 HydrophobicContact CG2-CG1 3.93Å; I136-A157 HydrophobicContact CD1-CB 4.19Å; I136-R158 HydrophobicContact CD1-CB 4.31Å; I136-L162 HydrophobicContact CD1-CB 3.91Å; I136-L162 HydrophobicContact CD1-CD1 4.1Å; I136-L162 HydrophobicContact CD1-CG 4.46Å; I136-L162 HydrophobicContact CG1-CD1 3.99Å; I136-L167 PolarHBondContact N-O 2.76Å; I136-I168 HydrophobicContact CB-CG2 4.44Å; I136-I168 HydrophobicContact CG2-CG2 4.36Å; I136-I168 CarbonylContact O-C 3.54Å; I136-I168 VanDerWaalsContact O-CA 3.31Å; I136-I168 WeakPolarHBondContact O-CA 3.36Å; I136-F169 PolarHBondContact O-N 3.11Å
137	I	98.9	Very high	97.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	139.6	167	70.7	-175.4	0	0	0	107.4	M57 F64 V69 L70 D71 V72 L79 A83 I135 F169	M57-I137 HydrophobicContact CE-CB 4.35Å; M57-I137 HydrophobicContact CE-CD1 3.95Å; M57-I137 HydrophobicContact CE-CG2 4.17Å; F64-I137 HydrophobicContact CE1-CG2 4.16Å; V69-I137 HydrophobicContact CG1-CD1 3.96Å; V69-I137 HydrophobicContact CG1-CG1 4.12Å; V69-I137 HydrophobicContact CG1-CG2 3.8Å; L70-I137 PolarHBondContact O-N 3.06Å; D71-I137 WeakPolarHBondContact CA-O 3.23Å; D71-I137 HydrophobicContact CB-CD1 3.96Å; D71-I137 HydrophobicContact CB-CG1 3.71Å; V72-I137 PolarHBondContact N-O 3.33Å; L79-I137 HydrophobicContact CB-CD1 3.86Å; L79-I137 HydrophobicContact CB-CG1 4.49Å; A83-I137 HydrophobicContact CB-CD1 4.01Å; I135-I137 HydrophobicContact CG2-CG2 3.93Å; I137-F169 WeakPolarHBondContact CA-O 3.37Å; I137-F169 HydrophobicContact CB-CB 4.43Å; I137-F169 HydrophobicContact CG2-CB 3.99Å
138	S	98.8	Very high	97.1	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.007	15%	0.146	C	C	.	.			trans	-159.4	141	174.8	-172.6	0	0	0	0	110.2	Y53 V72 V154 F169 P170	Y53-S138 WeakPolarHBondContact CE1-O 3.32Å; Y53-S138 PolarHBondContact OH-O 2.82Å; V72-S138 PolarHBondContact O-OG 2.84Å; S138-V154 WeakPolarHBondContact OG-CG2 3.17Å; S138-F169 PolarHBondContact N-O 2.6Å; S138-P170 VanDerWaalsContact O-CD 3.28Å; S138-P170 WeakPolarHBondContact O-CD 3.39Å
139	E	98.4	Very high	96.8	Very high	24 Å²	24	28.3 Å²	28.3	11%	0.112	15%	0.148	C	C	.	.			trans	-106.2	97.4	162.7	-160.9	-79.8	94.4	0	0	106.5	R49 Y53 L79 M141 W289	R49-E139 HydrophobicContact CG-CG 4.39Å; R49-E139 IonicContact CZ-OE2 3.56Å; R49-E139 IonicContact NH1-OE2 3.37Å; R49-E139 PolarHBondContact NH1-OE2 2.89Å; Y53-E139 HydrophobicContact CE1-CB 4.36Å; Y53-E139 HydrophobicContact CE2-CB 4.15Å; Y53-E139 HydrophobicContact CE2-CG 3.69Å; Y53-E139 VanDerWaalsContact OH-CA 3.27Å; Y53-E139 WeakPolarHBondContact OH-CA 3.47Å; L79-E139 HydrophobicContact CD1-CB 3.99Å; E139-M141 HydrophobicContact CG-CE 3.89Å; E139-M141 PolarHBondContact OE1-N 3.3Å; E139-W289 HydrophobicContact CG-CH2 4.48Å; E139-W289 HydrophobicContact CG-CZ2 4.44Å; E139-W289 VanDerWaalsContact OE1-CZ2 3.3Å; E139-W289 WeakPolarHBondContact OE1-CZ2 3.31Å
140	W	98.3	Very high	96.9	Very high	6 Å²	6	26.3 Å²	26.3	2%	0.023	13%	0.131	C	C	.	.			trans	-112.3	-3.5	-169.5	56.9	-96.3	0	0	0	112.6	G142 L145 M150 L151 V154 A173 I234	W140-G142 PolarHBondContact O-N 2.8Å; W140-L145 HydrophobicContact CH2-CD1 3.55Å; W140-L145 HydrophobicContact CH2-CG 4.08Å; W140-L145 HydrophobicContact CZ3-CD1 3.68Å; W140-L145 HydrophobicContact CZ3-CG 4.05Å; W140-M150 HydrophobicContact CB-CB 4.27Å; W140-M150 HydrophobicContact CB-CE 4.49Å; W140-M150 HydrophobicContact CB-CG 3.98Å; W140-M150 HydrophobicContact CB-SD 4.4Å; W140-L151 HydrophobicContact CD2-CB 4.28Å; W140-L151 HydrophobicContact CD2-CD1 3.93Å; W140-L151 HydrophobicContact CE3-CB 3.68Å; W140-L151 HydrophobicContact CE3-CD1 4.03Å; W140-L151 HydrophobicContact CE3-CD2 4.44Å; W140-L151 HydrophobicContact CE3-CG 4.25Å; W140-L151 HydrophobicContact CH2-CD1 4.13Å; W140-L151 HydrophobicContact CH2-CD2 4.02Å; W140-L151 HydrophobicContact CZ2-CD1 4.03Å; W140-L151 HydrophobicContact CZ3-CB 3.93Å; W140-L151 HydrophobicContact CZ3-CD1 4.14Å; W140-L151 HydrophobicContact CZ3-CD2 3.9Å; W140-L151 HydrophobicContact CZ3-CG 4.2Å; W140-V154 HydrophobicContact CB-CG2 3.69Å; W140-V154 HydrophobicContact CG-CG2 3.92Å; W140-A173 HydrophobicContact CH2-CB 3.89Å; W140-A173 HydrophobicContact CZ2-CB 4.01Å; W140-I234 HydrophobicContact CZ2-CD1 3.64Å; W140-I234 HydrophobicContact CZ2-CG1 4.37Å
141	M	98.6	Very high	97	Very high	8 Å²	8	24.4 Å²	24.4	4%	0.039	12%	0.12	C	C	.	.			trans	-79	123.3	-166.7	-63.8	83.3	60.5	0	0	109.5	Y53 E139 L145 P170 F265 I267 F278 W289	Y53-M141 HydrophobicContact CE2-CE 4.22Å; Y53-M141 WeakPolarHBondContact OH-CE 3.36Å; E139-M141 HydrophobicContact CG-CE 3.89Å; E139-M141 PolarHBondContact OE1-N 3.3Å; M141-L145 HydrophobicContact CB-CD1 4.19Å; M141-L145 HydrophobicContact CG-CD1 3.72Å; M141-P170 HydrophobicContact SD-CG 4.26Å; M141-F265 HydrophobicContact CB-CE2 4.11Å; M141-F265 HydrophobicContact CB-CZ 3.97Å; M141-F265 HydrophobicContact CG-CE2 4.17Å; M141-I267 HydrophobicContact CE-CD1 4.35Å; M141-I267 HydrophobicContact CE-CG1 4.05Å; M141-I267 HydrophobicContact CG-CD1 3.66Å; M141-I267 HydrophobicContact CG-CG1 4.24Å; M141-I267 HydrophobicContact SD-CD1 3.97Å; M141-I267 HydrophobicContact SD-CG1 4.33Å; M141-F278 HydrophobicContact CE-CZ 3.92Å; M141-W289 HydrophobicContact CB-CZ2 3.86Å; M141-W289 HydrophobicContact CE-CH2 3.63Å; M141-W289 HydrophobicContact CE-CZ2 3.73Å; M141-W289 PolarHBondContact O-NE1 3.39Å
142	G	97.4	Very high	97.2	Very high	9 Å²	9	17.5 Å²	17.5	9%	0.093	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-90.7	-178.5	170.3	0	0	0	0	0	112.5	W140 L145 Y147	W140-G142 PolarHBondContact O-N 2.8Å; G142-L145 PolarHBondContact N-O 3.04Å; G142-L145 VanDerWaalsContact N-O 3.08Å; G142-L145 CarbonylContact O-C 3.55Å; G142-L145 VanDerWaalsContact O-CA 3.29Å; G142-L145 WeakPolarHBondContact O-CA 3.34Å; G142-L145 PolarHBondContact O-N 3.23Å; G142-Y147 WeakPolarHBondContact CA-O 3.22Å
143	Y	97.9	Very high	97.2	Very high	68 Å²	68	18.3 Å²	18.3	27%	0.267	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	147	162.7	-57.5	-55.3	0	0	0	110.8	L145 Y147 V214	Y143-L145 PolarHBondContact O-N 2.85Å; Y143-Y147 AromaticContact CD2-CD1 3.85Å; Y143-Y147 HydrophobicContact CD2-CD1 3.85Å; Y143-Y147 HydrophobicContact CD2-CE1 4.22Å; Y143-Y147 WeakPolarHBondContact O-CB 3.46Å; Y143-Y147 PolarHBondContact O-N 3.36Å; Y143-Y147 VanDerWaalsContact O-N 3.07Å; Y143-V214 HydrophobicContact CD1-CB 4.37Å; Y143-V214 HydrophobicContact CD1-CG1 3.46Å; Y143-V214 VanDerWaalsContact CD1-CG1 3.46Å; Y143-V214 HydrophobicContact CD1-CG2 4.08Å; Y143-V214 HydrophobicContact CD2-CG2 4.15Å; Y143-V214 HydrophobicContact CE1-CG1 3.57Å; Y143-V214 HydrophobicContact CG-CG1 4.06Å; Y143-V214 HydrophobicContact CG-CG2 3.78Å
144	C	98.2	Very high	97.2	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.02	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	32.5	-171.7	-163.8	0	0	0	0	113.3	F146 T263 T292 F326 M347	C144-F146 PolarHBondContact O-N 3.47Å; C144-T263 PolarHBondContact SG-OG1 3Å; C144-T292 HydrophobicContact CB-CG2 4.18Å; C144-T292 PolarHBondContact N-OG1 2.63Å; C144-F326 HydrophobicContact CB-CZ 4.47Å; C144-M347 HydrophobicContact CB-CE 4.07Å; C144-M347 HydrophobicContact CB-SD 4.5Å
145	L	98.5	Very high	97.2	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	66.7	-43.6	-175.4	-174.4	59.6	0	0	0	115.6	W140 M141 G142 Y143 A173 L175 F265 I267	W140-L145 HydrophobicContact CH2-CD1 3.55Å; W140-L145 HydrophobicContact CH2-CG 4.08Å; W140-L145 HydrophobicContact CZ3-CD1 3.68Å; W140-L145 HydrophobicContact CZ3-CG 4.05Å; M141-L145 HydrophobicContact CB-CD1 4.19Å; M141-L145 HydrophobicContact CG-CD1 3.72Å; G142-L145 PolarHBondContact N-O 3.04Å; G142-L145 VanDerWaalsContact N-O 3.08Å; G142-L145 CarbonylContact O-C 3.55Å; G142-L145 VanDerWaalsContact O-CA 3.29Å; G142-L145 WeakPolarHBondContact O-CA 3.34Å; G142-L145 PolarHBondContact O-N 3.23Å; Y143-L145 PolarHBondContact O-N 2.85Å; L145-A173 HydrophobicContact CD1-CB 4.08Å; L145-A173 HydrophobicContact CD2-CB 3.95Å; L145-L175 HydrophobicContact CB-CD1 4.05Å; L145-L175 HydrophobicContact CD2-CB 4.17Å; L145-F265 HydrophobicContact CB-CB 4.07Å; L145-F265 HydrophobicContact CB-CD1 3.86Å; L145-F265 HydrophobicContact CB-CE1 4.5Å; L145-F265 HydrophobicContact CB-CG 4.02Å; L145-F265 HydrophobicContact CD1-CB 4.21Å; L145-F265 HydrophobicContact CD1-CD1 4.31Å; L145-F265 HydrophobicContact CD1-CD2 3.86Å; L145-F265 HydrophobicContact CD1-CE2 4.26Å; L145-F265 HydrophobicContact CD1-CG 3.88Å; L145-F265 HydrophobicContact CD2-CB 4.21Å; L145-F265 HydrophobicContact CG-CB 4.41Å; L145-F265 HydrophobicContact CG-CG 4.43Å; L145-I267 HydrophobicContact CD1-CD1 4.09Å
146	F	98.1	Very high	97.2	Very high	10 Å²	10	21.1 Å²	21.1	4%	0.044	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-3.8	-166.1	-58.4	-75.9	0	0	0	114.9	C144 S149 L151 L175 R230 V232 L242 F244 M314 L324	C144-F146 PolarHBondContact O-N 3.47Å; F146-S149 PolarHBondContact O-N 2.76Å; F146-S149 VanDerWaalsContact O-N 3.11Å; F146-L151 HydrophobicContact CD1-CD2 4.13Å; F146-L151 HydrophobicContact CE1-CD2 3.82Å; F146-L175 HydrophobicContact CD2-CD2 4.4Å; F146-L175 HydrophobicContact CE2-CD2 4.05Å; F146-R230 HydrophobicContact CE2-CG 4.27Å; F146-R230 HydrophobicContact CZ-CG 3.98Å; F146-V232 HydrophobicContact CE1-CG2 3.94Å; F146-V232 HydrophobicContact CZ-CG2 3.71Å; F146-L242 HydrophobicContact CE1-CD2 4.05Å; F146-F244 HydrophobicContact CE2-CE1 4.09Å; F146-F244 HydrophobicContact CE2-CZ 4.3Å; F146-F244 HydrophobicContact CZ-CE1 4.45Å; F146-M314 HydrophobicContact CB-CE 3.73Å; F146-M314 HydrophobicContact CB-SD 4.11Å; F146-M314 HydrophobicContact CD1-CE 4.39Å; F146-M314 HydrophobicContact CD2-CE 3.1Å; F146-M314 HydrophobicContact CD2-SD 3.77Å; F146-M314 HydrophobicContact CE2-CE 3.68Å; F146-M314 HydrophobicContact CG-CE 3.49Å; F146-M314 VanDerWaalsContact CG-CE 3.49Å; F146-M314 HydrophobicContact CG-SD 4.31Å; F146-L324 HydrophobicContact CB-CD1 4.2Å
147	Y	95.2	Very high	97.2	Very high	36 Å²	36	21.1 Å²	21.1	14%	0.141	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-59	149.5	177.9	-177.3	-114	0	0	0	111	G142 Y143 S149 M347 R348	G142-Y147 WeakPolarHBondContact CA-O 3.22Å; Y143-Y147 AromaticContact CD2-CD1 3.85Å; Y143-Y147 HydrophobicContact CD2-CD1 3.85Å; Y143-Y147 HydrophobicContact CD2-CE1 4.22Å; Y143-Y147 WeakPolarHBondContact O-CB 3.46Å; Y143-Y147 PolarHBondContact O-N 3.36Å; Y143-Y147 VanDerWaalsContact O-N 3.07Å; Y147-S149 PolarHBondContact O-N 2.65Å; Y147-S149 VanDerWaalsContact O-N 3.13Å; Y147-M347 HydrophobicContact CD1-SD 4.36Å; Y147-M347 HydrophobicContact CD2-CB 4.28Å; Y147-M347 HydrophobicContact CD2-CG 3.56Å; Y147-M347 HydrophobicContact CD2-SD 3.6Å; Y147-M347 VanDerWaalsContact CD2-SD 3.6Å; Y147-M347 HydrophobicContact CE2-CB 4.47Å; Y147-M347 HydrophobicContact CE2-CG 3.73Å; Y147-M347 HydrophobicContact CE2-SD 4.33Å; Y147-M347 HydrophobicContact CG-CG 4.14Å; Y147-M347 HydrophobicContact CG-SD 3.62Å; Y147-R348 VanDerWaalsContact OH-C 3.24Å; Y147-R348 PolarHBondContact OH-OXT 3.16Å
148	E	89.2	Confident	97.2	Very high	41 Å²	41	22.1 Å²	22.1	19%	0.192	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	66.9	-7	-169.3	-48	-169.4	-179.9	0	0	116.4	Y34 M150 R322	Y34-E148 WeakPolarHBondContact CE2-OE2 3.43Å; Y34-E148 VanDerWaalsContact CZ-OE2 3.31Å; Y34-E148 PolarHBondContact OH-OE1 3.43Å; Y34-E148 VanDerWaalsContact OH-OE1 3.08Å; Y34-E148 PolarHBondContact OH-OE2 2.6Å; E148-M150 PolarHBondContact O-N 3.38Å; E148-M150 VanDerWaalsContact O-N 3.15Å; E148-R322 WeakPolarHBondContact CA-O 3.48Å; E148-R322 PolarHBondContact N-O 2.89Å; E148-R322 VanDerWaalsContact N-O 3.14Å
149	S	89.8	Confident	97.1	Very high	19 Å²	19	27.3 Å²	27.3	13%	0.133	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	59.2	25.2	170.8	-69.9	0	0	0	0	115.2	F146 Y147 L151 N152 N321	F146-S149 PolarHBondContact O-N 2.76Å; F146-S149 VanDerWaalsContact O-N 3.11Å; Y147-S149 PolarHBondContact O-N 2.65Å; Y147-S149 VanDerWaalsContact O-N 3.13Å; S149-L151 VanDerWaalsContact C-N 3.26Å; S149-L151 PolarHBondContact O-N 2.94Å; S149-N152 WeakPolarHBondContact O-CB 3.02Å; S149-N152 PolarHBondContact O-N 3.22Å; S149-N152 PolarHBondContact O-ND2 2.88Å; S149-N321 WeakPolarHBondContact CB-O 3.41Å; S149-N321 PolarHBondContact OG-O 2.71Å
150	M	94.7	Very high	97.1	Very high	42 Å²	42	29.2 Å²	29.2	21%	0.207	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-20.7	-177.7	-173.1	169.6	165.9	0	0	113.7	V72 W140 E148 N152 T153 V154	V72-M150 VanDerWaalsContact O-CE 3.25Å; V72-M150 WeakPolarHBondContact O-CE 3.38Å; W140-M150 HydrophobicContact CB-CB 4.27Å; W140-M150 HydrophobicContact CB-CE 4.49Å; W140-M150 HydrophobicContact CB-CG 3.98Å; W140-M150 HydrophobicContact CB-SD 4.4Å; E148-M150 PolarHBondContact O-N 3.38Å; E148-M150 VanDerWaalsContact O-N 3.15Å; M150-N152 PolarHBondContact O-N 3.04Å; M150-T153 WeakPolarHBondContact O-CB 3.3Å; M150-T153 PolarHBondContact O-N 2.85Å; M150-V154 PolarHBondContact O-N 2.92Å
151	L	97.9	Very high	97.2	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-57.5	-31.1	172.4	-176.6	57.4	0	0	0	112.3	W140 F146 S149 T153 V154 I155 V232 I234 L242	W140-L151 HydrophobicContact CD2-CB 4.28Å; W140-L151 HydrophobicContact CD2-CD1 3.93Å; W140-L151 HydrophobicContact CE3-CB 3.68Å; W140-L151 HydrophobicContact CE3-CD1 4.03Å; W140-L151 HydrophobicContact CE3-CD2 4.44Å; W140-L151 HydrophobicContact CE3-CG 4.25Å; W140-L151 HydrophobicContact CH2-CD1 4.13Å; W140-L151 HydrophobicContact CH2-CD2 4.02Å; W140-L151 HydrophobicContact CZ2-CD1 4.03Å; W140-L151 HydrophobicContact CZ3-CB 3.93Å; W140-L151 HydrophobicContact CZ3-CD1 4.14Å; W140-L151 HydrophobicContact CZ3-CD2 3.9Å; W140-L151 HydrophobicContact CZ3-CG 4.2Å; F146-L151 HydrophobicContact CD1-CD2 4.13Å; F146-L151 HydrophobicContact CE1-CD2 3.82Å; S149-L151 VanDerWaalsContact C-N 3.26Å; S149-L151 PolarHBondContact O-N 2.94Å; L151-T153 VanDerWaalsContact C-N 3.28Å; L151-T153 PolarHBondContact O-N 3.03Å; L151-V154 HydrophobicContact CD1-CB 4.36Å; L151-V154 PolarHBondContact O-N 3.08Å; L151-I155 HydrophobicContact CG-CD1 4.14Å; L151-I155 HydrophobicContact CG-CG1 4.45Å; L151-I155 VanDerWaalsContact O-CG1 3.3Å; L151-I155 WeakPolarHBondContact O-CG1 3.28Å; L151-I155 PolarHBondContact O-N 3.4Å; L151-V232 HydrophobicContact CD2-CG1 4.13Å; L151-I234 HydrophobicContact CD1-CG2 4.39Å; L151-L242 HydrophobicContact CB-CD1 4.23Å; L151-L242 HydrophobicContact CD2-CD1 3.9Å; L151-L242 HydrophobicContact CD2-CD2 3.61Å; L151-L242 HydrophobicContact CD2-CG 4.43Å; L151-L242 HydrophobicContact CG-CD1 4.08Å
152	N	97.6	Very high	97.2	Very high	52 Å²	52	30.5 Å²	30.5	28%	0.278	15%	0.147	S	C	.	.	H	α-helix	trans	-60.9	-39.1	174.7	-69.2	-47.8	0	0	0	111.9	S149 M150 I155 Y156 A239 L242	S149-N152 WeakPolarHBondContact O-CB 3.02Å; S149-N152 PolarHBondContact O-N 3.22Å; S149-N152 PolarHBondContact O-ND2 2.88Å; M150-N152 PolarHBondContact O-N 3.04Å; N152-I155 PolarHBondContact O-N 2.81Å; N152-Y156 PolarHBondContact O-N 3.42Å; N152-A239 WeakPolarHBondContact OD1-CB 3.28Å; N152-L242 WeakPolarHBondContact OD1-CD1 3.28Å
153	T	98.2	Very high	97.3	Very high	28 Å²	28	33.9 Å²	33.9	17%	0.172	16%	0.159	C	C	.	.	H	α-helix	trans	-69.8	-35.3	177.6	-62.1	0	0	0	0	111.5	V72 V123 E124 M150 L151 Y156 A157	V72-T153 HydrophobicContact CG1-CG2 3.83Å; V123-T153 HydrophobicContact CB-CG2 3.45Å; V123-T153 VanDerWaalsContact CB-CG2 3.45Å; V123-T153 HydrophobicContact CG1-CG2 3.82Å; V123-T153 HydrophobicContact CG2-CG2 3.43Å; V123-T153 VanDerWaalsContact CG2-CG2 3.43Å; E124-T153 WeakPolarHBondContact OE1-CB 3.47Å; E124-T153 WeakPolarHBondContact OE1-CG2 3.27Å; E124-T153 PolarHBondContact OE1-OG1 3.03Å; M150-T153 WeakPolarHBondContact O-CB 3.3Å; M150-T153 PolarHBondContact O-N 2.85Å; L151-T153 VanDerWaalsContact C-N 3.28Å; L151-T153 PolarHBondContact O-N 3.03Å; T153-Y156 PolarHBondContact O-N 3.44Å; T153-A157 WeakPolarHBondContact O-CB 3.35Å; T153-A157 PolarHBondContact O-N 3.3Å
154	V	98.7	Very high	97.3	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-66.6	-42.3	171.8	178.5	0	0	0	0	111.5	V72 S138 W140 M150 L151 Y156 A157 R158 I234	V72-V154 HydrophobicContact CG1-CG2 4.09Å; S138-V154 WeakPolarHBondContact OG-CG2 3.17Å; W140-V154 HydrophobicContact CB-CG2 3.69Å; W140-V154 HydrophobicContact CG-CG2 3.92Å; M150-V154 PolarHBondContact O-N 2.92Å; L151-V154 HydrophobicContact CD1-CB 4.36Å; L151-V154 PolarHBondContact O-N 3.08Å; V154-Y156 VanDerWaalsContact C-N 3.35Å; V154-A157 PolarHBondContact O-N 3.32Å; V154-R158 WeakPolarHBondContact O-CB 3.28Å; V154-R158 PolarHBondContact O-N 3.47Å; V154-I234 HydrophobicContact CG1-CG2 4.1Å
155	I	98.8	Very high	97.2	Very high	10 Å²	10	44.1 Å²	44.1	5%	0.051	23%	0.225	C	C	.	.	H	α-helix	trans	-59.2	-46.6	174.3	-70.4	166	0	0	0	110.2	L151 N152 A157 R158 D159 V237 L242	L151-I155 HydrophobicContact CG-CD1 4.14Å; L151-I155 HydrophobicContact CG-CG1 4.45Å; L151-I155 VanDerWaalsContact O-CG1 3.3Å; L151-I155 WeakPolarHBondContact O-CG1 3.28Å; L151-I155 PolarHBondContact O-N 3.4Å; N152-I155 PolarHBondContact O-N 2.81Å; I155-A157 PolarHBondContact O-N 2.99Å; I155-R158 WeakPolarHBondContact O-CB 3.2Å; I155-R158 PolarHBondContact O-N 3.34Å; I155-D159 VanDerWaalsContact O-CG 3.28Å; I155-D159 PolarHBondContact O-N 3.15Å; I155-V237 HydrophobicContact CD1-CG1 3.98Å; I155-V237 HydrophobicContact CG1-CG1 4.13Å; I155-L242 HydrophobicContact CD1-CD1 4.08Å
156	Y	98.6	Very high	97.2	Very high	80 Å²	80	44.5 Å²	44.5	31%	0.314	23%	0.229	S	C	.	.	H	α-helix	trans	-58.3	-48.3	176	179.1	-84.4	0	0	0	111.8	V123 E124 N152 T153 V154 R158 D159 K160 W161	V123-Y156 HydrophobicContact CG1-CD1 4.25Å; E124-Y156 HydrophobicContact CB-CE1 4.32Å; E124-Y156 HydrophobicContact CB-CE2 4.4Å; E124-Y156 HydrophobicContact CG-CD1 4.12Å; E124-Y156 HydrophobicContact CG-CD2 4.14Å; E124-Y156 HydrophobicContact CG-CE1 4.33Å; E124-Y156 HydrophobicContact CG-CE2 4.32Å; E124-Y156 HydrophobicContact CG-CG 4.04Å; E124-Y156 PolarHBondContact O-OH 3.45Å; N152-Y156 PolarHBondContact O-N 3.42Å; T153-Y156 PolarHBondContact O-N 3.44Å; V154-Y156 VanDerWaalsContact C-N 3.35Å; Y156-R158 VanDerWaalsContact C-N 3.33Å; Y156-R158 PolarHBondContact O-N 3.32Å; Y156-D159 PolarHBondContact O-N 3.21Å; Y156-K160 HydrophobicContact CD1-CD 4.49Å; Y156-K160 HydrophobicContact CE1-CB 4.3Å; Y156-K160 HydrophobicContact CE1-CD 3.49Å; Y156-K160 VanDerWaalsContact CE1-CD 3.49Å; Y156-K160 VanDerWaalsContact O-CB 3.28Å; Y156-K160 WeakPolarHBondContact O-CB 3.47Å; Y156-K160 PolarHBondContact O-N 2.68Å; Y156-K160 WeakPolarHBondContact OH-CD 3.31Å; Y156-K160 PolarHBondContact OH-NZ 2.97Å; Y156-W161 HydrophobicContact CE1-CH2 4.42Å; Y156-W161 HydrophobicContact CE1-CZ3 4.45Å
157	A	98.7	Very high	97.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.4	-39	179.5	0	0	0	0	0	112.4	L70 V72 V123 I136 T153 V154 I155 W161	L70-A157 HydrophobicContact CD2-CB 4.14Å; V72-A157 HydrophobicContact CG2-CB 3.66Å; V123-A157 HydrophobicContact CG1-CB 4.08Å; I136-A157 HydrophobicContact CD1-CB 4.19Å; T153-A157 WeakPolarHBondContact O-CB 3.35Å; T153-A157 PolarHBondContact O-N 3.3Å; V154-A157 PolarHBondContact O-N 3.32Å; I155-A157 PolarHBondContact O-N 2.99Å; A157-W161 HydrophobicContact CB-CE3 4.06Å; A157-W161 HydrophobicContact CB-CZ3 4.31Å; A157-W161 PolarHBondContact O-N 3.19Å
158	R	98.8	Very high	97.4	Very high	21 Å²	21	44 Å²	44	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-58.4	-54.6	173.6	178.1	-162	71.4	-162.9	1.2	110.5	I136 V154 I155 Y156 K160 L162 I168 I234 Y235 V237	I136-R158 HydrophobicContact CD1-CB 4.31Å; V154-R158 WeakPolarHBondContact O-CB 3.28Å; V154-R158 PolarHBondContact O-N 3.47Å; I155-R158 WeakPolarHBondContact O-CB 3.2Å; I155-R158 PolarHBondContact O-N 3.34Å; Y156-R158 VanDerWaalsContact C-N 3.33Å; Y156-R158 PolarHBondContact O-N 3.32Å; R158-K160 VanDerWaalsContact C-N 3.31Å; R158-K160 PolarHBondContact O-N 3.47Å; R158-L162 HydrophobicContact CG-CB 4.25Å; R158-L162 HydrophobicContact CG-CD2 3.87Å; R158-L162 WeakPolarHBondContact O-CB 3.42Å; R158-L162 PolarHBondContact O-N 3.16Å; R158-I168 HydrophobicContact CB-CD1 4.42Å; R158-I168 HydrophobicContact CG-CD1 3.9Å; R158-I234 VanDerWaalsContact CD-O 3.28Å; R158-I234 WeakPolarHBondContact CD-O 3.43Å; R158-I234 PolarHBondContact NH1-O 3.22Å; R158-Y235 PolarHBondContact NH1-O 2.82Å; R158-V237 PolarHBondContact NH1-O 2.84Å; R158-V237 PolarHBondContact NH2-O 2.87Å
159	D	98.6	Very high	97.9	Very high	110 Å²	110	42.1 Å²	42.1	59%	0.588	22%	0.22	S	C	*	.	H	α-helix	trans	-67.6	-33.1	-174.2	-66.2	-11.6	0	0	0	112.2	I155 Y156	I155-D159 VanDerWaalsContact O-CG 3.28Å; I155-D159 PolarHBondContact O-N 3.15Å; Y156-D159 PolarHBondContact O-N 3.21Å
160	K	98.4	Very high	98.3	Very high	64 Å²	64	41.2 Å²	41.2	28%	0.278	21%	0.214	S	C	.	.	H	α-helix	trans	-81.8	-41.9	-179.2	-170.9	174.1	178	-177.7	0	113.5	V126 E127 Y156 R158	V126-K160 PolarHBondContact O-NZ 2.79Å; E127-K160 IonicContact OE1-NZ 3.32Å; E127-K160 PolarHBondContact OE1-NZ 2.8Å; E127-K160 IonicContact OE2-NZ 2.84Å; Y156-K160 HydrophobicContact CD1-CD 4.49Å; Y156-K160 HydrophobicContact CE1-CB 4.3Å; Y156-K160 HydrophobicContact CE1-CD 3.49Å; Y156-K160 VanDerWaalsContact CE1-CD 3.49Å; Y156-K160 VanDerWaalsContact O-CB 3.28Å; Y156-K160 WeakPolarHBondContact O-CB 3.47Å; Y156-K160 PolarHBondContact O-N 2.68Å; Y156-K160 WeakPolarHBondContact OH-CD 3.31Å; Y156-K160 PolarHBondContact OH-NZ 2.97Å; R158-K160 VanDerWaalsContact C-N 3.31Å; R158-K160 PolarHBondContact O-N 3.47Å
161	W	98.8	Very high	98.5	Very high	10 Å²	10	39.2 Å²	39.2	4%	0.038	20%	0.204	C	C	.	.	H	α-helix	trans	-127.5	-16.4	-165.1	-64.5	-55.3	0	0	0	115.8	L70 I94 V123 V126 L128 G132 V133 Y156 A157 K163	L70-W161 HydrophobicContact CD2-CE3 3.83Å; L70-W161 HydrophobicContact CD2-CZ3 4.42Å; I94-W161 HydrophobicContact CD1-CH2 4.2Å; I94-W161 HydrophobicContact CD1-CZ3 4.07Å; V123-W161 HydrophobicContact CG1-CH2 4.33Å; V123-W161 HydrophobicContact CG1-CZ3 3.7Å; V123-W161 VanDerWaalsContact O-CH2 3.23Å; V123-W161 WeakPolarHBondContact O-CH2 3.39Å; V126-W161 HydrophobicContact CG2-CH2 4.33Å; V126-W161 WeakPolarHBondContact O-CZ2 3.44Å; L128-W161 HydrophobicContact CD1-CB 4.05Å; L128-W161 HydrophobicContact CD1-CD2 3.57Å; L128-W161 HydrophobicContact CD1-CE3 4.1Å; L128-W161 HydrophobicContact CD1-CG 3.55Å; L128-W161 HydrophobicContact CD1-CZ2 4.47Å; L128-W161 HydrophobicContact CG-CD2 3.95Å; L128-W161 HydrophobicContact CG-CE3 4.49Å; L128-W161 HydrophobicContact CG-CG 4.27Å; L128-W161 HydrophobicContact CG-CH2 4.44Å; L128-W161 HydrophobicContact CG-CZ2 3.92Å; G132-W161 CarbonylContact C-O 3.54Å; G132-W161 WeakPolarHBondContact CA-O 3.28Å; V133-W161 HydrophobicContact CG2-CB 4.29Å; V133-W161 PolarHBondContact N-O 3.33Å; Y156-W161 HydrophobicContact CE1-CH2 4.42Å; Y156-W161 HydrophobicContact CE1-CZ3 4.45Å; A157-W161 HydrophobicContact CB-CE3 4.06Å; A157-W161 HydrophobicContact CB-CZ3 4.31Å; A157-W161 PolarHBondContact O-N 3.19Å; W161-K163 PolarHBondContact O-N 3.39Å
162	L	98.9	Very high	98.5	Very high	31 Å²	31	42.5 Å²	42.5	16%	0.162	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	125.3	179.5	-168.2	68	0	0	0	109.8	V133 I136 R158 I168	V133-L162 HydrophobicContact CG2-CD1 4.49Å; I136-L162 HydrophobicContact CD1-CB 3.91Å; I136-L162 HydrophobicContact CD1-CD1 4.1Å; I136-L162 HydrophobicContact CD1-CG 4.46Å; I136-L162 HydrophobicContact CG1-CD1 3.99Å; R158-L162 HydrophobicContact CG-CB 4.25Å; R158-L162 HydrophobicContact CG-CD2 3.87Å; R158-L162 WeakPolarHBondContact O-CB 3.42Å; R158-L162 PolarHBondContact O-N 3.16Å; L162-I168 HydrophobicContact CD2-CD1 3.89Å; L162-I168 HydrophobicContact CD2-CG1 3.67Å
163	K	98.7	Very high	98.6	Very high	81 Å²	81	40 Å²	40	35%	0.352	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	158.1	174.6	-67.8	174.7	-167.1	169.8	0	111.1	G132 V133 D134 W161 D165 G166	G132-K163 VanDerWaalsContact O-CE 3.24Å; G132-K163 WeakPolarHBondContact O-CE 3.2Å; V133-K163 WeakPolarHBondContact O-CG 3.16Å; V133-K163 PolarHBondContact O-N 3Å; D134-K163 WeakPolarHBondContact OD1-CD 3.2Å; D134-K163 IonicContact OD1-NZ 2.6Å; D134-K163 PolarHBondContact OD1-NZ 2.8Å; D134-K163 IonicContact OD2-NZ 2.79Å; W161-K163 PolarHBondContact O-N 3.39Å; K163-D165 PolarHBondContact O-N 3.37Å; K163-G166 WeakPolarHBondContact O-CA 3.4Å; K163-G166 PolarHBondContact O-N 3.28Å
164	P	98.1	Very high	98.6	Very high	122 Å²	122	38.8 Å²	38.8	79%	0.792	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-50.2	138.1	164.5	-24.9	34.6	0	0	0	110.9	G166	P164-G166 PolarHBondContact O-N 2.94Å; P164-G166 VanDerWaalsContact O-N 3.12Å
165	D	96.4	Very high	98.6	Very high	163 Å²	163	38.8 Å²	38.8	87%	0.872	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	60	12.7	-174.7	-51.1	-46.1	0	0	0	115.4	K163	K163-D165 PolarHBondContact O-N 3.37Å
166	G	98.7	Very high	98.7	Very high	9 Å²	9	40.9 Å²	40.9	9%	0.093	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	159.3	172.8	0	0	0	0	0	112.3	D134 K163 P164 Y235	D134-G166 CarbonylContact O-C 3.52Å; D134-G166 WeakPolarHBondContact O-CA 3.46Å; K163-G166 WeakPolarHBondContact O-CA 3.4Å; K163-G166 PolarHBondContact O-N 3.28Å; P164-G166 PolarHBondContact O-N 2.94Å; P164-G166 VanDerWaalsContact O-N 3.12Å; G166-Y235 WeakPolarHBondContact O-CE1 3.4Å
167	L	98.9	Very high	98.7	Very high	33 Å²	33	37 Å²	37	17%	0.173	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	149.7	-176.4	-46.5	-179.2	0	0	0	112	L63 D134 I135 I136 F169 R271	L63-L167 HydrophobicContact CB-CD1 4.19Å; L63-L167 HydrophobicContact CD1-CD1 4.26Å; L63-L167 HydrophobicContact CD2-CD1 4.27Å; L63-L167 HydrophobicContact CG-CD1 4.48Å; D134-L167 PolarHBondContact O-N 3.49Å; I135-L167 CarbonylContact C-O 3.26Å; I135-L167 VanDerWaalsContact CA-O 3.28Å; I135-L167 WeakPolarHBondContact CA-O 3.46Å; I135-L167 HydrophobicContact CG1-CB 4.22Å; I135-L167 HydrophobicContact CG2-CB 4.41Å; I136-L167 PolarHBondContact N-O 2.76Å; L167-F169 HydrophobicContact CB-CD2 4.21Å; L167-F169 HydrophobicContact CB-CE2 3.79Å; L167-F169 HydrophobicContact CD1-CE2 4.08Å; L167-R271 HydrophobicContact CD2-CG 4.08Å
168	I	98.9	Very high	98.7	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.2	174.6	-47.9	176.2	0	0	0	108.3	I136 R158 L162 P170 D171 I234 Y235	I136-I168 HydrophobicContact CB-CG2 4.44Å; I136-I168 HydrophobicContact CG2-CG2 4.36Å; I136-I168 CarbonylContact O-C 3.54Å; I136-I168 VanDerWaalsContact O-CA 3.31Å; I136-I168 WeakPolarHBondContact O-CA 3.36Å; R158-I168 HydrophobicContact CB-CD1 4.42Å; R158-I168 HydrophobicContact CG-CD1 3.9Å; L162-I168 HydrophobicContact CD2-CD1 3.89Å; L162-I168 HydrophobicContact CD2-CG1 3.67Å; I168-P170 CarbonylContact C-O 3.56Å; I168-P170 VanDerWaalsContact CG2-O 3.29Å; I168-P170 WeakPolarHBondContact CG2-O 3.28Å; I168-P170 CarbonylContact O-C 3.36Å; I168-D171 HydrophobicContact CB-CB 4.49Å; I168-D171 WeakPolarHBondContact O-CB 3.35Å; I168-I234 HydrophobicContact CD1-CB 4.45Å; I168-I234 HydrophobicContact CD1-CG2 3.95Å; I168-I234 HydrophobicContact CG2-CG2 3.94Å; I168-Y235 HydrophobicContact CB-CE1 4.3Å; I168-Y235 HydrophobicContact CD1-CD1 3.75Å; I168-Y235 HydrophobicContact CD1-CE1 3.99Å; I168-Y235 HydrophobicContact CD1-CG 4.36Å; I168-Y235 HydrophobicContact CG1-CD1 4.02Å; I168-Y235 HydrophobicContact CG1-CE1 3.71Å; I168-Y235 PolarHBondContact N-OH 3.02Å
169	F	98.9	Very high	98.7	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.009	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	111.2	-177.9	-81.7	-114	0	0	0	110.1	L63 F64 I135 I136 I137 S138 L167 F269 R271	L63-F169 HydrophobicContact CD1-CZ 3.95Å; F64-F169 HydrophobicContact CE2-CD1 4.42Å; F64-F169 AromaticContact CE2-CE1 3.86Å; F64-F169 HydrophobicContact CE2-CE1 3.86Å; F64-F169 HydrophobicContact CE2-CE2 4.37Å; F64-F169 AromaticContact CE2-CZ 3.85Å; F64-F169 HydrophobicContact CE2-CZ 3.85Å; F64-F169 AromaticContact CZ-CD1 4Å; F64-F169 HydrophobicContact CZ-CD1 4Å; F64-F169 HydrophobicContact CZ-CD2 4.25Å; F64-F169 AromaticContact CZ-CE1 3.88Å; F64-F169 HydrophobicContact CZ-CE1 3.88Å; F64-F169 HydrophobicContact CZ-CE2 4.13Å; F64-F169 HydrophobicContact CZ-CG 4.22Å; F64-F169 AromaticContact CZ-CZ 3.96Å; F64-F169 HydrophobicContact CZ-CZ 3.96Å; I135-F169 HydrophobicContact CG2-CD2 3.9Å; I135-F169 HydrophobicContact CG2-CE2 4.35Å; I136-F169 PolarHBondContact O-N 3.11Å; I137-F169 WeakPolarHBondContact CA-O 3.37Å; I137-F169 HydrophobicContact CB-CB 4.43Å; I137-F169 HydrophobicContact CG2-CB 3.99Å; S138-F169 PolarHBondContact N-O 2.6Å; L167-F169 HydrophobicContact CB-CD2 4.21Å; L167-F169 HydrophobicContact CB-CE2 3.79Å; L167-F169 HydrophobicContact CD1-CE2 4.08Å; F169-F269 HydrophobicContact CB-CD1 3.93Å; F169-F269 HydrophobicContact CB-CE1 3.94Å; F169-F269 AromaticContact CD1-CD1 3.48Å; F169-F269 HydrophobicContact CD1-CD1 3.48Å; F169-F269 VanDerWaalsContact CD1-CD1 3.48Å; F169-F269 HydrophobicContact CD1-CE1 4.07Å; F169-F269 HydrophobicContact CE1-CD1 4.3Å; F169-F269 HydrophobicContact CG-CD1 4.01Å; F169-F269 HydrophobicContact CG-CE1 4.45Å; F169-R271 HydrophobicContact CZ-CB 4.38Å
170	P	98.8	Very high	98.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.	S	Bend	cis	-69.1	170	-9.6	33	-37.8	0	0	0	111.9	Y53 S138 M141 I168 I234 I267 E268 F269	Y53-P170 WeakPolarHBondContact OH-CD 3.4Å; S138-P170 VanDerWaalsContact O-CD 3.28Å; S138-P170 WeakPolarHBondContact O-CD 3.39Å; M141-P170 HydrophobicContact SD-CG 4.26Å; I168-P170 CarbonylContact C-O 3.56Å; I168-P170 VanDerWaalsContact CG2-O 3.29Å; I168-P170 WeakPolarHBondContact CG2-O 3.28Å; I168-P170 CarbonylContact O-C 3.36Å; P170-I234 HydrophobicContact CG-CD1 4.47Å; P170-I234 WeakPolarHBondContact O-CD1 3.3Å; P170-I267 HydrophobicContact CB-CG2 3.32Å; P170-I267 HydrophobicContact CG-CG2 3.51Å; P170-E268 WeakPolarHBondContact CB-O 3.33Å; P170-F269 HydrophobicContact CB-CD1 4.01Å; P170-F269 HydrophobicContact CB-CD2 4.37Å; P170-F269 HydrophobicContact CB-CE1 3.83Å; P170-F269 HydrophobicContact CB-CE2 4.17Å; P170-F269 HydrophobicContact CB-CG 4.29Å; P170-F269 HydrophobicContact CB-CZ 3.92Å; P170-F269 HydrophobicContact CG-CZ 4.45Å
171	D	98.8	Very high	98.7	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.155	C	C	.	.			trans	-118.2	-12.1	178.9	52	10.3	0	0	0	113.9	I168 I234 Y235 E268 T270 R271	I168-D171 HydrophobicContact CB-CB 4.49Å; I168-D171 WeakPolarHBondContact O-CB 3.35Å; D171-I234 WeakPolarHBondContact O-CB 3.43Å; D171-I234 WeakPolarHBondContact O-CG1 3.26Å; D171-I234 PolarHBondContact O-N 2.92Å; D171-Y235 HydrophobicContact CB-CD2 4.11Å; D171-Y235 HydrophobicContact CB-CE2 3.41Å; D171-Y235 VanDerWaalsContact CB-CE2 3.41Å; D171-E268 PolarHBondContact N-O 3.03Å; D171-T270 VanDerWaalsContact CG-OG1 3.23Å; D171-T270 WeakPolarHBondContact OD1-CG2 3.35Å; D171-T270 PolarHBondContact OD1-N 3.26Å; D171-T270 PolarHBondContact OD1-OG1 2.89Å; D171-T270 PolarHBondContact OD2-N 2.58Å; D171-T270 PolarHBondContact OD2-OG1 3.12Å; D171-R271 WeakPolarHBondContact OD2-CG 3.39Å; D171-R271 PolarHBondContact OD2-N 3.28Å; D171-R271 IonicContact OD2-NE 3.18Å
172	R	98.9	Very high	98.7	Very high	73 Å²	73	30.3 Å²	30.3	28%	0.275	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	132.6	-178.5	178.6	-175.7	175.7	94.4	9.6	111.3	E231 V232 E268 T270	R172-E231 VanDerWaalsContact CZ-CD 3.48Å; R172-E231 IonicContact CZ-OE1 2.79Å; R172-E231 IonicContact CZ-OE2 3.76Å; R172-E231 IonicContact NH1-OE1 2.67Å; R172-E231 PolarHBondContact NH1-OE1 2.8Å; R172-E231 IonicContact NH2-OE1 2.84Å; R172-E231 PolarHBondContact NH2-OE1 2.98Å; R172-E231 IonicContact NH2-OE2 3.68Å; R172-E231 PolarHBondContact NH2-OE2 2.91Å; R172-V232 WeakPolarHBondContact CA-O 3.29Å; R172-E268 HydrophobicContact CB-CB 4.14Å; R172-E268 HydrophobicContact CG-CB 4.44Å; R172-E268 PolarHBondContact N-O 2.93Å; R172-E268 IonicContact NE-OE1 3.73Å; R172-E268 PolarHBondContact NE-OE1 3.32Å; R172-E268 PolarHBondContact O-N 3.27Å; R172-T270 HydrophobicContact CB-CG2 3.89Å
173	A	98.9	Very high	98.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146.7	172.6	0	0	0	0	0	110.9	W140 L145 V232 N266 I267	W140-A173 HydrophobicContact CH2-CB 3.89Å; W140-A173 HydrophobicContact CZ2-CB 4.01Å; L145-A173 HydrophobicContact CD1-CB 4.08Å; L145-A173 HydrophobicContact CD2-CB 3.95Å; A173-V232 HydrophobicContact CB-CB 4.28Å; A173-V232 PolarHBondContact N-O 2.78Å; A173-V232 PolarHBondContact O-N 3.23Å; A173-N266 WeakPolarHBondContact CA-O 3.38Å; A173-I267 HydrophobicContact CB-CD1 3.61Å
174	T	98.9	Very high	98.6	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	130.5	177	43.8	0	0	0	0	110.5	Y176 L228 R230 E231 F265 N266	T174-Y176 WeakPolarHBondContact OG1-CE2 3.44Å; T174-L228 HydrophobicContact CG2-CD1 3.84Å; T174-R230 CarbonylContact C-O 3.58Å; T174-R230 VanDerWaalsContact CA-O 3.27Å; T174-R230 WeakPolarHBondContact CA-O 3.41Å; T174-E231 HydrophobicContact CG2-CB 4.21Å; T174-E231 HydrophobicContact CG2-CG 3.96Å; T174-F265 CarbonylContact O-C 3.54Å; T174-F265 WeakPolarHBondContact O-CA 3.5Å; T174-F265 VanDerWaalsContact O-CB 3.26Å; T174-F265 WeakPolarHBondContact O-CB 3.46Å; T174-N266 PolarHBondContact N-O 2.87Å; T174-N266 PolarHBondContact O-N 3.14Å; T174-N266 WeakPolarHBondContact OG1-CB 3.32Å
175	L	98.9	Very high	98.6	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	131.3	177.3	-173.8	70.4	0	0	0	109.5	L145 F146 I229 R230 F265	L145-L175 HydrophobicContact CB-CD1 4.05Å; L145-L175 HydrophobicContact CD2-CB 4.17Å; F146-L175 HydrophobicContact CD2-CD2 4.4Å; F146-L175 HydrophobicContact CE2-CD2 4.05Å; L175-I229 HydrophobicContact CB-CG1 4.17Å; L175-I229 HydrophobicContact CD2-CD1 3.65Å; L175-I229 HydrophobicContact CD2-CG1 4.02Å; L175-I229 HydrophobicContact CG-CD1 3.87Å; L175-I229 HydrophobicContact CG-CG1 3.91Å; L175-I229 VanDerWaalsContact O-CG1 3.22Å; L175-I229 WeakPolarHBondContact O-CG1 3.4Å; L175-I229 PolarHBondContact O-N 2.79Å; L175-R230 HydrophobicContact CB-CB 3.95Å; L175-R230 PolarHBondContact N-O 3.06Å; L175-R230 PolarHBondContact O-N 3.15Å; L175-R230 VanDerWaalsContact O-N 3.17Å; L175-F265 HydrophobicContact CD1-CB 4.14Å
176	Y	98.9	Very high	98.6	Very high	53 Å²	53	28.2 Å²	28.2	21%	0.208	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	157.7	179.9	-66.9	-95.3	0	0	0	111	T174 C227 L228 T263 Y264 N266	T174-Y176 WeakPolarHBondContact OG1-CE2 3.44Å; Y176-C227 CarbonylContact C-O 3.53Å; Y176-C227 VanDerWaalsContact CA-O 3.22Å; Y176-C227 WeakPolarHBondContact CA-O 3.33Å; Y176-L228 HydrophobicContact CD1-CB 4.11Å; Y176-L228 HydrophobicContact CD1-CD1 4.45Å; Y176-L228 HydrophobicContact CE1-CB 3.77Å; Y176-L228 HydrophobicContact CE1-CD1 4Å; Y176-L228 HydrophobicContact CE1-CG 4.48Å; Y176-L228 HydrophobicContact CE2-CD1 4.1Å; Y176-T263 WeakPolarHBondContact O-CA 3.41Å; Y176-T263 WeakPolarHBondContact O-CB 3.09Å; Y176-Y264 HydrophobicContact CD2-CD2 4.42Å; Y176-Y264 AromaticContact CD2-CE2 3.85Å; Y176-Y264 HydrophobicContact CD2-CE2 3.85Å; Y176-Y264 AromaticContact CG-CE2 3.93Å; Y176-Y264 HydrophobicContact CG-CE2 3.93Å; Y176-Y264 AromaticContact CG-CZ 3.94Å; Y176-Y264 PolarHBondContact N-O 3.28Å; Y176-Y264 PolarHBondContact O-N 3.31Å; Y176-N266 VanDerWaalsContact CE2-ND2 3.27Å; Y176-N266 WeakPolarHBondContact CE2-ND2 3.49Å
177	V	98.9	Very high	98.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	145.7	166.8	69.3	0	0	0	0	110.3	S226 C227 I229 F248 L250 L261 V262 T263	V177-S226 CarbonylContact O-C 3.59Å; V177-S226 VanDerWaalsContact O-CA 3.27Å; V177-S226 WeakPolarHBondContact O-CA 3.27Å; V177-C227 HydrophobicContact CG1-CB 4.05Å; V177-C227 PolarHBondContact N-O 3.2Å; V177-C227 PolarHBondContact O-N 3.48Å; V177-I229 HydrophobicContact CB-CD1 4.29Å; V177-I229 HydrophobicContact CB-CG2 4.27Å; V177-I229 HydrophobicContact CG1-CG2 3.6Å; V177-F248 HydrophobicContact CG1-CB 3.75Å; V177-F248 HydrophobicContact CG1-CD1 4.38Å; V177-F248 HydrophobicContact CG1-CD2 4.37Å; V177-F248 HydrophobicContact CG1-CG 3.93Å; V177-L250 HydrophobicContact CG1-CD2 4.31Å; V177-L250 WeakPolarHBondContact O-CD2 3.32Å; V177-L261 HydrophobicContact CG2-CB 4.07Å; V177-L261 HydrophobicContact CG2-CD1 4.42Å; V177-V262 CarbonylContact C-O 3.51Å; V177-V262 WeakPolarHBondContact CA-O 3.27Å; V177-T263 HydrophobicContact CB-CG2 4.32Å; V177-T263 HydrophobicContact CG2-CG2 4.2Å
178	T	98.9	Very high	98.4	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	177.3	171.6	-167	0	0	0	0	109.5	L222 T224 N225 L261 V262 Y264	T178-L222 HydrophobicContact CG2-CD2 3.47Å; T178-L222 VanDerWaalsContact CG2-CD2 3.47Å; T178-T224 PolarHBondContact OG1-OG1 2.6Å; T178-N225 PolarHBondContact OG1-O 2.86Å; T178-L261 CarbonylContact O-C 3.36Å; T178-L261 WeakPolarHBondContact O-CA 2.92Å; T178-V262 HydrophobicContact CG2-CB 3.95Å; T178-V262 HydrophobicContact CG2-CG1 4.5Å; T178-V262 PolarHBondContact N-O 2.89Å; T178-V262 PolarHBondContact O-N 3.39Å; T178-Y264 HydrophobicContact CG2-CE1 4.26Å
179	A	98.9	Very high	98.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	144.2	-178.8	0	0	0	0	0	112.3	V223 T224 L250 I258 A260 L261 I308	A179-V223 PolarHBondContact O-N 2.84Å; A179-T224 HydrophobicContact CB-CG2 3.79Å; A179-T224 PolarHBondContact N-OG1 3.29Å; A179-L250 HydrophobicContact CB-CD1 3.98Å; A179-I258 HydrophobicContact CB-CD1 3.95Å; A179-I258 HydrophobicContact CB-CG1 4.38Å; A179-I258 HydrophobicContact CB-CG2 3.8Å; A179-A260 WeakPolarHBondContact CA-O 3.42Å; A179-L261 HydrophobicContact CB-CD2 3.78Å; A179-I308 HydrophobicContact CB-CD1 4.49Å
180	I	98.9	Very high	98.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	154.1	-171.2	67.2	167.6	0	0	0	114.5	D182 V217 Q221 L222 I258 H259 A260 V262 V293	I180-D182 HydrophobicContact CD1-CB 3.82Å; I180-D182 HydrophobicContact CG1-CB 4.22Å; I180-V217 HydrophobicContact CD1-CG1 4.09Å; I180-V217 HydrophobicContact CD1-CG2 4.29Å; I180-V217 HydrophobicContact CG2-CG1 3.94Å; I180-Q221 CarbonylContact C-O 3.41Å; I180-Q221 VanDerWaalsContact CA-O 3.24Å; I180-Q221 WeakPolarHBondContact CA-O 3.24Å; I180-Q221 HydrophobicContact CB-CB 4.17Å; I180-Q221 WeakPolarHBondContact CB-O 3.26Å; I180-Q221 HydrophobicContact CG2-CB 4.45Å; I180-L222 HydrophobicContact CG2-CD2 3.99Å; I180-I258 WeakPolarHBondContact O-CA 3.4Å; I180-H259 PolarHBondContact O-N 3.45Å; I180-A260 HydrophobicContact CD1-CB 4.32Å; I180-A260 HydrophobicContact CG1-CB 3.96Å; I180-A260 PolarHBondContact N-O 3.33Å; I180-V262 HydrophobicContact CB-CG2 4.3Å; I180-V262 HydrophobicContact CD1-CG2 3.56Å; I180-V262 HydrophobicContact CG1-CG2 3.73Å; I180-V262 HydrophobicContact CG2-CB 4.45Å; I180-V262 HydrophobicContact CG2-CG2 3.64Å; I180-V293 HydrophobicContact CD1-CG1 4.38Å
181	E	98.8	Very high	98	Very high	50 Å²	50	41.4 Å²	41.4	23%	0.234	18%	0.177	C	C	.	.			trans	-83.5	128.6	159.7	-168.5	-70.5	123.5	0	0	108.9	R183 Q221 V223 D256 Y257 H259	E181-R183 VanDerWaalsContact OE1-CB 3.26Å; E181-R183 WeakPolarHBondContact OE1-CB 3.33Å; E181-R183 PolarHBondContact OE1-N 2.99Å; E181-Q221 PolarHBondContact N-O 3.39Å; E181-Q221 VanDerWaalsContact O-CB 3.31Å; E181-Q221 WeakPolarHBondContact O-CB 3.48Å; E181-Q221 WeakPolarHBondContact O-CG 3.1Å; E181-Q221 PolarHBondContact O-NE2 3.48Å; E181-V223 HydrophobicContact CB-CG2 4.01Å; E181-D256 WeakPolarHBondContact CG-OD1 3.21Å; E181-Y257 WeakPolarHBondContact CA-O 3.36Å; E181-Y257 VanDerWaalsContact CB-O 3.3Å; E181-Y257 WeakPolarHBondContact CB-O 3.41Å; E181-Y257 WeakPolarHBondContact CG-O 3.44Å; E181-H259 IonicContact OE1-CE1 2.75Å; E181-H259 PolarHBondContact OE1-CE1 3.38Å; E181-H259 IonicContact OE1-ND1 2.63Å
182	D	98.6	Very high	98	Very high	13 Å²	13	46.6 Å²	46.6	7%	0.07	20%	0.197	C	C	.	.			trans	-155.1	36.7	-178.1	-157.9	23.1	0	0	0	113.2	I180 Q184 Y185 K186 Q221 H259 Y295	I180-D182 HydrophobicContact CD1-CB 3.82Å; I180-D182 HydrophobicContact CG1-CB 4.22Å; D182-Q184 VanDerWaalsContact C-N 3.35Å; D182-Q184 PolarHBondContact O-N 3.18Å; D182-Y185 PolarHBondContact O-N 2.88Å; D182-Y185 VanDerWaalsContact OD1-CB 3.24Å; D182-Y185 WeakPolarHBondContact OD1-CB 3.36Å; D182-K186 VanDerWaalsContact O-CB 3.3Å; D182-K186 WeakPolarHBondContact O-CB 3.29Å; D182-K186 PolarHBondContact O-N 3.15Å; D182-Q221 PolarHBondContact OD1-NE2 2.96Å; D182-H259 HydrophobicContact CB-CB 4.32Å; D182-H259 PolarHBondContact N-ND1 2.77Å; D182-H259 VanDerWaalsContact N-ND1 3.16Å; D182-Y295 HydrophobicContact CB-CE1 4.34Å; D182-Y295 PolarHBondContact OD2-OH 2.79Å
183	R	98.1	Very high	97.9	Very high	105 Å²	105	46.3 Å²	46.3	40%	0.396	20%	0.196	S	C	.	.	H	α-helix	trans	-54.2	-51.2	-173.9	179	65.9	-160.1	-158.3	12.3	111.9	E181 Y185 K186 D187 H259	E181-R183 VanDerWaalsContact OE1-CB 3.26Å; E181-R183 WeakPolarHBondContact OE1-CB 3.33Å; E181-R183 PolarHBondContact OE1-N 2.99Å; R183-Y185 VanDerWaalsContact C-N 3.34Å; R183-Y185 PolarHBondContact O-N 2.89Å; R183-K186 PolarHBondContact O-N 3.19Å; R183-D187 IonicContact CZ-OD1 2.87Å; R183-D187 VanDerWaalsContact CZ-OD1 3.32Å; R183-D187 IonicContact CZ-OD2 3.19Å; R183-D187 VanDerWaalsContact NE-CG 3.35Å; R183-D187 IonicContact NE-OD1 3.39Å; R183-D187 PolarHBondContact NE-OD1 2.85Å; R183-D187 VanDerWaalsContact NE-OD1 3.17Å; R183-D187 IonicContact NE-OD2 2.8Å; R183-D187 PolarHBondContact NE-OD2 3.05Å; R183-D187 IonicContact NH2-OD1 2.91Å; R183-D187 PolarHBondContact NH2-OD1 3.41Å; R183-D187 IonicContact NH2-OD2 2.76Å; R183-D187 PolarHBondContact NH2-OD2 3.1Å; R183-D187 WeakPolarHBondContact O-CB 3.32Å; R183-D187 PolarHBondContact O-N 3.47Å; R183-H259 WeakPolarHBondContact CB-NE2 3.45Å; R183-H259 WeakPolarHBondContact CD-NE2 3.49Å
184	Q	97.5	Very high	97.9	Very high	173 Å²	173	50.1 Å²	50.1	81%	0.808	21%	0.214	S	C	*	.	H	α-helix	trans	-62.4	-41.8	-172.9	-175.5	179.3	4.7	0	0	111.8	D182 Y188	D182-Q184 VanDerWaalsContact C-N 3.35Å; D182-Q184 PolarHBondContact O-N 3.18Å; Q184-Y188 PolarHBondContact O-N 3.13Å; Q184-Y188 VanDerWaalsContact O-N 3.14Å
185	Y	97.2	Very high	97.8	Very high	72 Å²	72	55 Å²	55	28%	0.282	24%	0.239	S	C	.	.	H	α-helix	trans	-80.2	-34.7	-178.7	-156.4	-125.1	0	0	0	112	D182 R183 D187 Y188 K189 L213 D215	D182-Y185 PolarHBondContact O-N 2.88Å; D182-Y185 VanDerWaalsContact OD1-CB 3.24Å; D182-Y185 WeakPolarHBondContact OD1-CB 3.36Å; R183-Y185 VanDerWaalsContact C-N 3.34Å; R183-Y185 PolarHBondContact O-N 2.89Å; Y185-D187 VanDerWaalsContact C-N 3.3Å; Y185-D187 PolarHBondContact O-N 2.95Å; Y185-Y188 HydrophobicContact CD2-CD1 4.19Å; Y185-Y188 HydrophobicContact CE2-CD1 4.02Å; Y185-Y188 PolarHBondContact O-N 2.77Å; Y185-K189 HydrophobicContact CD1-CG 4.13Å; Y185-K189 HydrophobicContact CD2-CG 4.42Å; Y185-K189 HydrophobicContact CE1-CG 3.98Å; Y185-K189 HydrophobicContact CE2-CG 4.25Å; Y185-K189 HydrophobicContact CG-CG 4.36Å; Y185-K189 WeakPolarHBondContact O-CB 3.4Å; Y185-K189 WeakPolarHBondContact O-CG 3.41Å; Y185-K189 PolarHBondContact O-N 3.35Å; Y185-K189 WeakPolarHBondContact OH-CE 3.35Å; Y185-K189 PolarHBondContact OH-NZ 3.33Å; Y185-L213 HydrophobicContact CE1-CD2 4.44Å; Y185-D215 PolarHBondContact OH-OD2 3.32Å
186	K	97.9	Very high	97.8	Very high	3 Å²	3	55.4 Å²	55.4	1%	0.013	24%	0.242	C	C	.	.	H	α-helix	trans	-58.7	-42.8	168.5	-169.4	179.2	174.6	-178.7	0	111.1	D182 R183 Y188 K189 I190 H191 H259 Y295 L296 D297	D182-K186 VanDerWaalsContact O-CB 3.3Å; D182-K186 WeakPolarHBondContact O-CB 3.29Å; D182-K186 PolarHBondContact O-N 3.15Å; R183-K186 PolarHBondContact O-N 3.19Å; K186-Y188 VanDerWaalsContact C-N 3.33Å; K186-Y188 PolarHBondContact O-N 3.29Å; K186-K189 PolarHBondContact O-N 3.06Å; K186-I190 HydrophobicContact CG-CB 4.18Å; K186-I190 HydrophobicContact CG-CG1 4.18Å; K186-I190 WeakPolarHBondContact O-CA 3.29Å; K186-I190 VanDerWaalsContact O-CB 3.3Å; K186-I190 WeakPolarHBondContact O-CB 3.33Å; K186-I190 PolarHBondContact O-N 3.12Å; K186-H191 PolarHBondContact O-N 2.93Å; K186-H259 HydrophobicContact CD-CB 4.33Å; K186-Y295 HydrophobicContact CB-CD1 4.05Å; K186-Y295 HydrophobicContact CB-CE1 3.57Å; K186-Y295 HydrophobicContact CD-CD1 3.85Å; K186-Y295 HydrophobicContact CD-CE1 4.26Å; K186-Y295 HydrophobicContact CD-CG 4.5Å; K186-Y295 HydrophobicContact CG-CD1 3.78Å; K186-Y295 HydrophobicContact CG-CE1 3.83Å; K186-Y295 HydrophobicContact CG-CG 4.33Å; K186-Y295 PolarHBondContact N-OH 3.14Å; K186-L296 WeakPolarHBondContact CE-O 3.4Å; K186-L296 PolarHBondContact NZ-O 2.96Å; K186-D297 PolarHBondContact NZ-O 2.66Å
187	D	96.9	Very high	97.7	Very high	54 Å²	54	62.8 Å²	62.8	29%	0.289	27%	0.271	S	S	.	.	H	α-helix	trans	-61.3	-43.8	175.7	-76.5	-23.3	0	0	0	111.2	R183 Y185 H191 W192	R183-D187 IonicContact CZ-OD1 2.87Å; R183-D187 VanDerWaalsContact CZ-OD1 3.32Å; R183-D187 IonicContact CZ-OD2 3.19Å; R183-D187 VanDerWaalsContact NE-CG 3.35Å; R183-D187 IonicContact NE-OD1 3.39Å; R183-D187 PolarHBondContact NE-OD1 2.85Å; R183-D187 VanDerWaalsContact NE-OD1 3.17Å; R183-D187 IonicContact NE-OD2 2.8Å; R183-D187 PolarHBondContact NE-OD2 3.05Å; R183-D187 IonicContact NH2-OD1 2.91Å; R183-D187 PolarHBondContact NH2-OD1 3.41Å; R183-D187 IonicContact NH2-OD2 2.76Å; R183-D187 PolarHBondContact NH2-OD2 3.1Å; R183-D187 WeakPolarHBondContact O-CB 3.32Å; R183-D187 PolarHBondContact O-N 3.47Å; Y185-D187 VanDerWaalsContact C-N 3.3Å; Y185-D187 PolarHBondContact O-N 2.95Å; D187-H191 CarbonylContact O-C 3.56Å; D187-H191 PolarHBondContact O-N 3.45Å; D187-H191 IonicContact OD1-CD2 3.64Å; D187-H191 PolarHBondContact OD1-CD2 3.39Å; D187-H191 IonicContact OD1-CG 3.8Å; D187-W192 PolarHBondContact O-N 3.39Å
188	Y	96.5	Very high	97.7	Very high	154 Å²	154	65.7 Å²	65.7	60%	0.604	30%	0.301	S	S	*	.	H	α-helix	trans	-68.3	-37.1	179.1	-178.5	-109.7	0	0	0	114.2	Q184 Y185 K186 W192	Q184-Y188 PolarHBondContact O-N 3.13Å; Q184-Y188 VanDerWaalsContact O-N 3.14Å; Y185-Y188 HydrophobicContact CD2-CD1 4.19Å; Y185-Y188 HydrophobicContact CE2-CD1 4.02Å; Y185-Y188 PolarHBondContact O-N 2.77Å; K186-Y188 VanDerWaalsContact C-N 3.33Å; K186-Y188 PolarHBondContact O-N 3.29Å; Y188-W192 WeakPolarHBondContact O-CB 3.21Å
189	K	95.1	Very high	97.6	Very high	76 Å²	76	72.5 Å²	72.5	33%	0.33	33%	0.331	S	S	.	.	H	α-helix	trans	-94.8	-36	-173.7	-68.8	-67.9	-171.3	168.5	0	114	Y185 K186 W193 L213	Y185-K189 HydrophobicContact CD1-CG 4.13Å; Y185-K189 HydrophobicContact CD2-CG 4.42Å; Y185-K189 HydrophobicContact CE1-CG 3.98Å; Y185-K189 HydrophobicContact CE2-CG 4.25Å; Y185-K189 HydrophobicContact CG-CG 4.36Å; Y185-K189 WeakPolarHBondContact O-CB 3.4Å; Y185-K189 WeakPolarHBondContact O-CG 3.41Å; Y185-K189 PolarHBondContact O-N 3.35Å; Y185-K189 WeakPolarHBondContact OH-CE 3.35Å; Y185-K189 PolarHBondContact OH-NZ 3.33Å; K186-K189 PolarHBondContact O-N 3.06Å; K189-W193 PolarHBondContact O-NE1 3.04Å; K189-L213 HydrophobicContact CB-CD2 4.25Å; K189-L213 HydrophobicContact CD-CD2 4.3Å; K189-L213 HydrophobicContact CG-CD2 3.98Å
190	I	96.5	Very high	97.6	Very high	2 Å²	2	78.3 Å²	78.3	1%	0.01	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-55.8	-170.8	-54.8	-57.8	0	0	0	110.6	K186 W192 K205 A208 I209 Y295	K186-I190 HydrophobicContact CG-CB 4.18Å; K186-I190 HydrophobicContact CG-CG1 4.18Å; K186-I190 WeakPolarHBondContact O-CA 3.29Å; K186-I190 VanDerWaalsContact O-CB 3.3Å; K186-I190 WeakPolarHBondContact O-CB 3.33Å; K186-I190 PolarHBondContact O-N 3.12Å; I190-W192 VanDerWaalsContact C-N 3.3Å; I190-W192 PolarHBondContact O-N 2.9Å; I190-K205 HydrophobicContact CG2-CD 4.34Å; I190-K205 HydrophobicContact CG2-CG 3.67Å; I190-K205 WeakPolarHBondContact O-CG 3.46Å; I190-A208 HydrophobicContact CD1-CB 4.27Å; I190-I209 HydrophobicContact CD1-CB 4.45Å; I190-I209 HydrophobicContact CG2-CB 4.16Å; I190-I209 HydrophobicContact CG2-CD1 4.01Å; I190-I209 HydrophobicContact CG2-CG1 4.17Å; I190-Y295 HydrophobicContact CD1-CD2 4.09Å; I190-Y295 HydrophobicContact CD1-CE2 4.36Å; I190-Y295 HydrophobicContact CG1-CD2 3.82Å; I190-Y295 HydrophobicContact CG1-CE2 3.98Å; I190-Y295 HydrophobicContact CG1-CG 4.41Å
191	H	96.7	Very high	97.6	Very high	37 Å²	37	81.3 Å²	81.3	17%	0.171	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-75	-17.9	-176.5	-62.2	-72.6	0	0	0	113.6	K186 D187 W193 E194	K186-H191 PolarHBondContact O-N 2.93Å; D187-H191 CarbonylContact O-C 3.56Å; D187-H191 PolarHBondContact O-N 3.45Å; D187-H191 IonicContact OD1-CD2 3.64Å; D187-H191 PolarHBondContact OD1-CD2 3.39Å; D187-H191 IonicContact OD1-CG 3.8Å; H191-W193 PolarHBondContact O-N 3.43Å; H191-W193 VanDerWaalsContact O-N 3.14Å; H191-E194 IonicContact CE1-OE1 3.59Å; H191-E194 IonicContact CG-OE1 3.7Å; H191-E194 IonicContact ND1-OE1 2.76Å; H191-E194 PolarHBondContact ND1-OE1 3.42Å; H191-E194 VanDerWaalsContact O-CB 3.29Å; H191-E194 WeakPolarHBondContact O-CB 3.3Å; H191-E194 WeakPolarHBondContact O-CG 3.4Å; H191-E194 PolarHBondContact O-N 3.07Å
192	W	97.7	Very high	97.5	Very high	110 Å²	110	80.5 Å²	80.5	42%	0.417	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-53	-34.1	174.2	178.8	82.4	0	0	0	113.4	D187 Y188 I190 E194 N195 V196	D187-W192 PolarHBondContact O-N 3.39Å; Y188-W192 WeakPolarHBondContact O-CB 3.21Å; I190-W192 VanDerWaalsContact C-N 3.3Å; I190-W192 PolarHBondContact O-N 2.9Å; W192-E194 PolarHBondContact O-N 3.27Å; W192-N195 CarbonylContact O-C 3.48Å; W192-N195 PolarHBondContact O-N 3.46Å; W192-V196 HydrophobicContact CD2-CG2 4.29Å; W192-V196 HydrophobicContact CE3-CG2 3.94Å; W192-V196 HydrophobicContact CH2-CB 4.33Å; W192-V196 HydrophobicContact CH2-CG1 3.65Å; W192-V196 HydrophobicContact CH2-CG2 3.75Å; W192-V196 HydrophobicContact CZ2-CB 4.48Å; W192-V196 HydrophobicContact CZ2-CG1 3.87Å; W192-V196 HydrophobicContact CZ2-CG2 4.1Å; W192-V196 HydrophobicContact CZ3-CG1 4.38Å; W192-V196 HydrophobicContact CZ3-CG2 3.67Å
193	W	97.9	Very high	97.5	Very high	66 Å²	66	84.3 Å²	84.3	25%	0.25	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-66.2	-16	178.7	-64.8	106	0	0	0	114.2	K189 H191 N195 V196 M201 S202 I204 K205	K189-W193 PolarHBondContact O-NE1 3.04Å; H191-W193 PolarHBondContact O-N 3.43Å; H191-W193 VanDerWaalsContact O-N 3.14Å; W193-N195 PolarHBondContact O-N 2.87Å; W193-V196 HydrophobicContact CE3-CG2 4.15Å; W193-M201 HydrophobicContact CE3-CB 4.02Å; W193-M201 HydrophobicContact CE3-SD 4.2Å; W193-M201 HydrophobicContact CZ3-SD 4.17Å; W193-M201 CarbonylContact O-C 3.47Å; W193-M201 WeakPolarHBondContact O-CA 3.47Å; W193-M201 WeakPolarHBondContact O-CB 3.03Å; W193-M201 PolarHBondContact O-N 2.96Å; W193-S202 PolarHBondContact O-N 3.5Å; W193-I204 HydrophobicContact CD2-CB 4.05Å; W193-I204 HydrophobicContact CD2-CG2 3.71Å; W193-I204 HydrophobicContact CE3-CB 3.95Å; W193-I204 HydrophobicContact CE3-CD1 3.85Å; W193-I204 HydrophobicContact CE3-CG1 4.48Å; W193-I204 HydrophobicContact CE3-CG2 3.85Å; W193-I204 HydrophobicContact CG-CB 4.43Å; W193-I204 HydrophobicContact CG-CG2 4.3Å; W193-I204 HydrophobicContact CH2-CD1 4.29Å; W193-I204 HydrophobicContact CH2-CG2 4.02Å; W193-I204 HydrophobicContact CZ2-CG2 3.89Å; W193-I204 HydrophobicContact CZ3-CB 4.37Å; W193-I204 HydrophobicContact CZ3-CD1 3.58Å; W193-I204 HydrophobicContact CZ3-CG2 4Å; W193-K205 HydrophobicContact CB-CB 4.02Å
194	E	97.8	Very high	97.4	Very high	81 Å²	81	82.6 Å²	82.6	38%	0.379	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-70.8	-23.2	177.9	-61.6	172.6	-175.5	0	0	112.1	H191 W192 K205	H191-E194 IonicContact CE1-OE1 3.59Å; H191-E194 IonicContact CG-OE1 3.7Å; H191-E194 IonicContact ND1-OE1 2.76Å; H191-E194 PolarHBondContact ND1-OE1 3.42Å; H191-E194 VanDerWaalsContact O-CB 3.29Å; H191-E194 WeakPolarHBondContact O-CB 3.3Å; H191-E194 WeakPolarHBondContact O-CG 3.4Å; H191-E194 PolarHBondContact O-N 3.07Å; W192-E194 PolarHBondContact O-N 3.27Å; E194-K205 HydrophobicContact CG-CD 4.03Å; E194-K205 WeakPolarHBondContact OE1-CE 3.45Å; E194-K205 IonicContact OE1-NZ 3.63Å; E194-K205 PolarHBondContact OE1-NZ 3.13Å
195	N	97.7	Very high	97.3	Very high	103 Å²	103	76.7 Å²	76.7	55%	0.551	37%	0.373	S	S	*	.			trans	-150.4	86.5	179	-172	-22.3	0	0	0	111.1	W192 W193 Y197 G198	W192-N195 CarbonylContact O-C 3.48Å; W192-N195 PolarHBondContact O-N 3.46Å; W193-N195 PolarHBondContact O-N 2.87Å; N195-Y197 PolarHBondContact O-N 2.89Å; N195-G198 WeakPolarHBondContact OD1-CA 3.18Å; N195-G198 PolarHBondContact OD1-N 3.37Å
196	V	98.2	Very high	97.2	Very high	11 Å²	11	79.6 Å²	79.6	7%	0.067	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-93.7	92.5	175	-178	0	0	0	0	108.1	W192 W193 G198 F199 M201	W192-V196 HydrophobicContact CD2-CG2 4.29Å; W192-V196 HydrophobicContact CE3-CG2 3.94Å; W192-V196 HydrophobicContact CH2-CB 4.33Å; W192-V196 HydrophobicContact CH2-CG1 3.65Å; W192-V196 HydrophobicContact CH2-CG2 3.75Å; W192-V196 HydrophobicContact CZ2-CB 4.48Å; W192-V196 HydrophobicContact CZ2-CG1 3.87Å; W192-V196 HydrophobicContact CZ2-CG2 4.1Å; W192-V196 HydrophobicContact CZ3-CG1 4.38Å; W192-V196 HydrophobicContact CZ3-CG2 3.67Å; W193-V196 HydrophobicContact CE3-CG2 4.15Å; V196-G198 VanDerWaalsContact C-N 3.29Å; V196-G198 PolarHBondContact O-N 3.39Å; V196-F199 PolarHBondContact N-O 3.3Å; V196-F199 WeakPolarHBondContact O-CD2 3.45Å; V196-F199 PolarHBondContact O-N 3.22Å; V196-F199 VanDerWaalsContact O-N 3.13Å; V196-M201 HydrophobicContact CB-CE 3.82Å; V196-M201 HydrophobicContact CB-CG 4.14Å; V196-M201 HydrophobicContact CB-SD 3.81Å; V196-M201 HydrophobicContact CG1-CE 3.72Å; V196-M201 HydrophobicContact CG1-SD 3.98Å; V196-M201 HydrophobicContact CG2-CB 4.19Å; V196-M201 HydrophobicContact CG2-CE 4.43Å; V196-M201 HydrophobicContact CG2-CG 3.99Å; V196-M201 HydrophobicContact CG2-SD 3.74Å
197	Y	97.1	Very high	97	Very high	207 Å²	207	83 Å²	83	81%	0.812	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	37.2	-178.6	-53.9	-78.6	0	0	0	114.5	N195	N195-Y197 PolarHBondContact O-N 2.89Å
198	G	97.9	Very high	96.9	Very high	61 Å²	61	81.5 Å²	81.5	63%	0.629	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.4	-2.4	-178.6	0	0	0	0	0	114.6	N195 V196	N195-G198 WeakPolarHBondContact OD1-CA 3.18Å; N195-G198 PolarHBondContact OD1-N 3.37Å; V196-G198 VanDerWaalsContact C-N 3.29Å; V196-G198 PolarHBondContact O-N 3.39Å
199	F	97.9	Very high	96.9	Very high	145 Å²	145	74.7 Å²	74.7	64%	0.636	38%	0.379	S	S	*	.	B	Isolated β-bridge	trans	-107.1	135.3	179	-55.8	-74.6	0	0	0	111.5	V196	V196-F199 PolarHBondContact N-O 3.3Å; V196-F199 WeakPolarHBondContact O-CD2 3.45Å; V196-F199 PolarHBondContact O-N 3.22Å; V196-F199 VanDerWaalsContact O-N 3.13Å
200	D	98.3	Very high	97	Very high	121 Å²	121	76.3 Å²	76.3	65%	0.647	39%	0.386	S	S	*	.			trans	-79.8	117.9	175.7	179.2	15	0	0	0	110.5	S202	D200-S202 WeakPolarHBondContact OD1-CB 3.36Å; D200-S202 PolarHBondContact OD1-N 3.31Å; D200-S202 PolarHBondContact OD1-OG 2.74Å
201	M	98.4	Very high	97	Very high	63 Å²	63	79.6 Å²	79.6	31%	0.31	40%	0.401	S	S	.	.			trans	-118.9	28.3	174.8	-57.6	-169.2	-175.5	0	0	111.5	W193 V196 C203 I204	W193-M201 HydrophobicContact CE3-CB 4.02Å; W193-M201 HydrophobicContact CE3-SD 4.2Å; W193-M201 HydrophobicContact CZ3-SD 4.17Å; W193-M201 CarbonylContact O-C 3.47Å; W193-M201 WeakPolarHBondContact O-CA 3.47Å; W193-M201 WeakPolarHBondContact O-CB 3.03Å; W193-M201 PolarHBondContact O-N 2.96Å; V196-M201 HydrophobicContact CB-CE 3.82Å; V196-M201 HydrophobicContact CB-CG 4.14Å; V196-M201 HydrophobicContact CB-SD 3.81Å; V196-M201 HydrophobicContact CG1-CE 3.72Å; V196-M201 HydrophobicContact CG1-SD 3.98Å; V196-M201 HydrophobicContact CG2-CB 4.19Å; V196-M201 HydrophobicContact CG2-CE 4.43Å; V196-M201 HydrophobicContact CG2-CG 3.99Å; V196-M201 HydrophobicContact CG2-SD 3.74Å; M201-C203 PolarHBondContact O-N 3.31Å; M201-I204 HydrophobicContact CB-CD1 4.39Å; M201-I204 WeakPolarHBondContact O-CB 3.36Å; M201-I204 PolarHBondContact O-N 2.85Å; M201-I204 HydrophobicContact SD-CD1 4.5Å
202	S	97.7	Very high	97.1	Very high	33 Å²	33	78.6 Å²	78.6	23%	0.231	40%	0.398	C	S	.	.	H	α-helix	trans	-58.1	-21	-177.5	-62.5	0	0	0	0	114.1	W193 D200 I204 K205 E206	W193-S202 PolarHBondContact O-N 3.5Å; D200-S202 WeakPolarHBondContact OD1-CB 3.36Å; D200-S202 PolarHBondContact OD1-N 3.31Å; D200-S202 PolarHBondContact OD1-OG 2.74Å; S202-I204 PolarHBondContact O-N 3.14Å; S202-K205 VanDerWaalsContact O-CB 3.27Å; S202-K205 WeakPolarHBondContact O-CB 3.42Å; S202-K205 PolarHBondContact O-N 3.26Å; S202-K205 VanDerWaalsContact O-N 3.12Å; S202-E206 PolarHBondContact O-N 3.4Å; S202-E206 VanDerWaalsContact O-N 3.16Å
203	C	97.5	Very high	97.1	Very high	94 Å²	94	75 Å²	75	64%	0.635	39%	0.387	S	S	*	.	H	α-helix	trans	-61.8	-28.2	171.8	63.3	0	0	0	0	113.1	M201	M201-C203 PolarHBondContact O-N 3.31Å
204	I	96.8	Very high	97.1	Very high	68 Å²	68	73.9 Å²	73.9	35%	0.349	39%	0.387	S	S	.	.	H	α-helix	trans	-76.8	-39.2	173.3	-61.5	176.7	0	0	0	110.1	W193 M201 S202 E206 V207 A208	W193-I204 HydrophobicContact CD2-CB 4.05Å; W193-I204 HydrophobicContact CD2-CG2 3.71Å; W193-I204 HydrophobicContact CE3-CB 3.95Å; W193-I204 HydrophobicContact CE3-CD1 3.85Å; W193-I204 HydrophobicContact CE3-CG1 4.48Å; W193-I204 HydrophobicContact CE3-CG2 3.85Å; W193-I204 HydrophobicContact CG-CB 4.43Å; W193-I204 HydrophobicContact CG-CG2 4.3Å; W193-I204 HydrophobicContact CH2-CD1 4.29Å; W193-I204 HydrophobicContact CH2-CG2 4.02Å; W193-I204 HydrophobicContact CZ2-CG2 3.89Å; W193-I204 HydrophobicContact CZ3-CB 4.37Å; W193-I204 HydrophobicContact CZ3-CD1 3.58Å; W193-I204 HydrophobicContact CZ3-CG2 4Å; M201-I204 HydrophobicContact CB-CD1 4.39Å; M201-I204 WeakPolarHBondContact O-CB 3.36Å; M201-I204 PolarHBondContact O-N 2.85Å; M201-I204 HydrophobicContact SD-CD1 4.5Å; S202-I204 PolarHBondContact O-N 3.14Å; I204-E206 VanDerWaalsContact C-N 3.27Å; I204-E206 PolarHBondContact O-N 3.14Å; I204-V207 PolarHBondContact O-N 2.72Å; I204-A208 WeakPolarHBondContact O-CB 3.34Å; I204-A208 PolarHBondContact O-N 3.11Å
205	K	96.4	Very high	97.1	Very high	50 Å²	50	72 Å²	72	22%	0.217	38%	0.38	C	S	.	.	H	α-helix	trans	-52.9	-45.1	175	179.5	-171.3	164.4	-166.9	0	111.9	I190 W193 E194 S202 V207 A208 I209	I190-K205 HydrophobicContact CG2-CD 4.34Å; I190-K205 HydrophobicContact CG2-CG 3.67Å; I190-K205 WeakPolarHBondContact O-CG 3.46Å; W193-K205 HydrophobicContact CB-CB 4.02Å; E194-K205 HydrophobicContact CG-CD 4.03Å; E194-K205 WeakPolarHBondContact OE1-CE 3.45Å; E194-K205 IonicContact OE1-NZ 3.63Å; E194-K205 PolarHBondContact OE1-NZ 3.13Å; S202-K205 VanDerWaalsContact O-CB 3.27Å; S202-K205 WeakPolarHBondContact O-CB 3.42Å; S202-K205 PolarHBondContact O-N 3.26Å; S202-K205 VanDerWaalsContact O-N 3.12Å; K205-V207 PolarHBondContact O-N 3.21Å; K205-A208 PolarHBondContact O-N 2.95Å; K205-I209 WeakPolarHBondContact O-CG2 3.33Å; K205-I209 PolarHBondContact O-N 3.27Å
206	E	94.1	Very high	97.1	Very high	133 Å²	133	70.8 Å²	70.8	62%	0.621	38%	0.376	S	S	*	.	H	α-helix	trans	-59.8	-25.9	179.4	-70.1	179.9	-171.9	0	0	113.7	S202 I204 K210	S202-E206 PolarHBondContact O-N 3.4Å; S202-E206 VanDerWaalsContact O-N 3.16Å; I204-E206 VanDerWaalsContact C-N 3.27Å; I204-E206 PolarHBondContact O-N 3.14Å; E206-K210 WeakPolarHBondContact O-CE 3.45Å
207	V	94.2	Very high	97.1	Very high	73 Å²	73	70.5 Å²	70.5	44%	0.442	37%	0.374	S	S	.	.	H	α-helix	trans	-90.3	-47.2	175.4	-177.4	0	0	0	0	110.5	I204 K205 I209 K210	I204-V207 PolarHBondContact O-N 2.72Å; K205-V207 PolarHBondContact O-N 3.21Å; V207-I209 VanDerWaalsContact C-N 3.3Å; V207-I209 PolarHBondContact O-N 3.21Å; V207-K210 WeakPolarHBondContact O-CB 3.3Å; V207-K210 PolarHBondContact O-N 2.91Å
208	A	94.7	Very high	97.2	Very high	23 Å²	23	64.2 Å²	64.2	19%	0.19	35%	0.354	C	S	.	.	H	α-helix	trans	-60.1	-37.3	-176.5	0	0	0	0	0	112.7	I190 I204 K205 K210 E211	I190-A208 HydrophobicContact CD1-CB 4.27Å; I204-A208 WeakPolarHBondContact O-CB 3.34Å; I204-A208 PolarHBondContact O-N 3.11Å; K205-A208 PolarHBondContact O-N 2.95Å; A208-K210 PolarHBondContact O-N 2.93Å; A208-E211 PolarHBondContact O-N 2.95Å; A208-E211 VanDerWaalsContact O-N 3.14Å
209	I	96.3	Very high	97.2	Very high	11 Å²	11	64.1 Å²	64.1	6%	0.056	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-21.5	178.3	-157.9	169.1	0	0	0	113.1	I190 K205 V207 E211 Y345	I190-I209 HydrophobicContact CD1-CB 4.45Å; I190-I209 HydrophobicContact CG2-CB 4.16Å; I190-I209 HydrophobicContact CG2-CD1 4.01Å; I190-I209 HydrophobicContact CG2-CG1 4.17Å; K205-I209 WeakPolarHBondContact O-CG2 3.33Å; K205-I209 PolarHBondContact O-N 3.27Å; V207-I209 VanDerWaalsContact C-N 3.3Å; V207-I209 PolarHBondContact O-N 3.21Å; I209-E211 VanDerWaalsContact C-N 3.35Å; I209-Y345 WeakPolarHBondContact O-CE1 3.19Å
210	K	96.9	Very high	97.2	Very high	111 Å²	111	64.7 Å²	64.7	48%	0.483	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-1.4	177.3	-58.1	-177.4	-176.4	178.8	0	112.5	E206 V207 A208 Y345 K346	E206-K210 WeakPolarHBondContact O-CE 3.45Å; V207-K210 WeakPolarHBondContact O-CB 3.3Å; V207-K210 PolarHBondContact O-N 2.91Å; A208-K210 PolarHBondContact O-N 2.93Å; K210-Y345 CarbonylContact O-C 3.43Å; K210-Y345 WeakPolarHBondContact O-CA 3.44Å; K210-Y345 WeakPolarHBondContact O-CB 3.27Å; K210-K346 PolarHBondContact O-N 3.32Å
211	E	97	Very high	97.3	Very high	70 Å²	70	60.7 Å²	60.7	33%	0.327	32%	0.322	S	S	.	.	S	Bend	trans	-101.8	117.3	173.2	-67.4	-172.2	171.6	0	0	108.9	A208 I209 L213 R348	A208-E211 PolarHBondContact O-N 2.95Å; A208-E211 VanDerWaalsContact O-N 3.14Å; I209-E211 VanDerWaalsContact C-N 3.35Å; E211-L213 WeakPolarHBondContact O-CD1 3.31Å; E211-L213 PolarHBondContact O-N 2.63Å; E211-R348 IonicContact OE1-CZ 3.9Å; E211-R348 IonicContact OE1-NE 3.76Å; E211-R348 PolarHBondContact OE1-NE 3.13Å; E211-R348 IonicContact OE1-NH2 2.86Å; E211-R348 PolarHBondContact OE1-NH2 2.79Å
212	P	98	Very high	97.3	Very high	16 Å²	16	58.6 Å²	58.6	10%	0.104	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-63.6	137.8	176.3	-20.1	33.2	0	0	0	110.7	T292 V293 F294 Y345 K346 M347	P212-T292 HydrophobicContact CB-CG2 3.54Å; P212-V293 CarbonylContact C-O 3.52Å; P212-V293 VanDerWaalsContact CA-O 3.28Å; P212-V293 WeakPolarHBondContact CA-O 3.37Å; P212-F294 HydrophobicContact CB-CD1 4.06Å; P212-F294 HydrophobicContact CB-CE1 3.88Å; P212-F294 HydrophobicContact CB-CZ 4.17Å; P212-F294 HydrophobicContact CG-CD1 3.78Å; P212-F294 HydrophobicContact CG-CE1 3.47Å; P212-F294 VanDerWaalsContact CG-CE1 3.47Å; P212-F294 HydrophobicContact CG-CZ 4.15Å; P212-Y345 HydrophobicContact CG-CD1 4.46Å; P212-Y345 HydrophobicContact CG-CG 4.42Å; P212-K346 VanDerWaalsContact CD-O 3.24Å; P212-K346 WeakPolarHBondContact CD-O 3.27Å; P212-M347 HydrophobicContact CB-CE 4.02Å; P212-M347 HydrophobicContact CG-CE 4.39Å
213	L	97.5	Very high	97.3	Very high	35 Å²	35	57 Å²	57	18%	0.183	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	135.6	177.6	-74.8	76.6	0	0	0	110.1	Y185 K189 E211 T292 V293 Y295	Y185-L213 HydrophobicContact CE1-CD2 4.44Å; K189-L213 HydrophobicContact CB-CD2 4.25Å; K189-L213 HydrophobicContact CD-CD2 4.3Å; K189-L213 HydrophobicContact CG-CD2 3.98Å; E211-L213 WeakPolarHBondContact O-CD1 3.31Å; E211-L213 PolarHBondContact O-N 2.63Å; L213-T292 CarbonylContact O-C 3.3Å; L213-T292 WeakPolarHBondContact O-CA 3.42Å; L213-V293 HydrophobicContact CB-CB 4.34Å; L213-V293 PolarHBondContact N-O 2.81Å; L213-V293 PolarHBondContact O-N 3.44Å; L213-Y295 HydrophobicContact CD1-CD2 3.76Å; L213-Y295 HydrophobicContact CD1-CE2 3.59Å; L213-Y295 HydrophobicContact CD2-CE2 4.01Å; L213-Y295 HydrophobicContact CG-CE2 4.37Å
214	V	98.2	Very high	97.4	Very high	43 Å²	43	52.5 Å²	52.5	26%	0.261	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	103.4	168.7	-179.7	0	0	0	0	109	Y143 W289 K290 Q291 M347	Y143-V214 HydrophobicContact CD1-CB 4.37Å; Y143-V214 HydrophobicContact CD1-CG1 3.46Å; Y143-V214 VanDerWaalsContact CD1-CG1 3.46Å; Y143-V214 HydrophobicContact CD1-CG2 4.08Å; Y143-V214 HydrophobicContact CD2-CG2 4.15Å; Y143-V214 HydrophobicContact CE1-CG1 3.57Å; Y143-V214 HydrophobicContact CG-CG1 4.06Å; Y143-V214 HydrophobicContact CG-CG2 3.78Å; V214-W289 WeakPolarHBondContact CG1-O 3.32Å; V214-K290 HydrophobicContact CG1-CB 4.39Å; V214-K290 HydrophobicContact CG1-CD 4.46Å; V214-Q291 WeakPolarHBondContact CA-O 3.39Å; V214-M347 HydrophobicContact CG2-CE 4.38Å
215	D	98	Very high	97.5	Very high	41 Å²	41	51.6 Å²	51.6	22%	0.219	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	167.8	179	-138	-14.9	0	0	0	113.2	Y185 K290 Q291	Y185-D215 PolarHBondContact OH-OD2 3.32Å; D215-K290 WeakPolarHBondContact O-CB 3.4Å; D215-K290 IonicContact OD1-NZ 2.85Å; D215-K290 PolarHBondContact OD1-NZ 2.86Å; D215-K290 VanDerWaalsContact OD1-NZ 3.16Å; D215-Q291 PolarHBondContact N-O 2.9Å; D215-Q291 VanDerWaalsContact N-O 3.1Å; D215-Q291 PolarHBondContact O-N 2.82Å; D215-Q291 VanDerWaalsContact O-N 3.13Å; D215-Q291 PolarHBondContact O-OE1 2.86Å
216	V	98.3	Very high	97.6	Very high	78 Å²	78	51.1 Å²	51.1	47%	0.473	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-80.7	124.8	176.5	-178.1	0	0	0	0	108.8	Y286 K290	V216-Y286 HydrophobicContact CG2-CD2 3.88Å; V216-Y286 HydrophobicContact CG2-CE2 3.95Å; V216-K290 HydrophobicContact CG2-CB 4.1Å; V216-K290 HydrophobicContact CG2-CD 3.77Å; V216-K290 HydrophobicContact CG2-CG 3.73Å
217	V	98.5	Very high	97.9	Very high	5 Å²	5	46 Å²	46	3%	0.03	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-96.2	130.4	175.8	174.5	0	0	0	0	109.1	I180 Q221 V262 P282 Q291 V293	I180-V217 HydrophobicContact CD1-CG1 4.09Å; I180-V217 HydrophobicContact CD1-CG2 4.29Å; I180-V217 HydrophobicContact CG2-CG1 3.94Å; V217-Q221 HydrophobicContact CG1-CB 4.33Å; V217-V262 HydrophobicContact CG2-CG1 4.13Å; V217-V262 HydrophobicContact CG2-CG2 4.12Å; V217-P282 HydrophobicContact CB-CB 4.21Å; V217-P282 HydrophobicContact CB-CG 4.03Å; V217-P282 HydrophobicContact CG1-CB 4.19Å; V217-P282 HydrophobicContact CG1-CG 4.08Å; V217-Q291 HydrophobicContact CG2-CB 4.22Å; V217-V293 HydrophobicContact CG2-CG2 3.86Å
218	D	98.6	Very high	98.1	Very high	74 Å²	74	46 Å²	46	40%	0.396	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-69.7	127.9	173.6	-176.7	-33	0	0	0	108.8	K220 Q221	D218-K220 PolarHBondContact O-N 2.88Å; D218-K220 VanDerWaalsContact OD1-CB 3.3Å; D218-K220 WeakPolarHBondContact OD1-CB 3.48Å; D218-K220 WeakPolarHBondContact OD1-CG 3.37Å; D218-K220 PolarHBondContact OD1-N 2.95Å; D218-Q221 HydrophobicContact CB-CG 4.18Å; D218-Q221 VanDerWaalsContact N-OE1 3.07Å; D218-Q221 VanDerWaalsContact O-CB 3.27Å; D218-Q221 WeakPolarHBondContact O-CB 3.26Å; D218-Q221 PolarHBondContact O-N 3.23Å
219	P	98.5	Very high	98.3	Very high	59 Å²	59	45.2 Å²	45.2	38%	0.383	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-46.5	-31.6	174.6	-26.7	27.5	0	0	0	114.9	Q221 L222 P282 E283	P219-Q221 PolarHBondContact O-N 3.5Å; P219-L222 VanDerWaalsContact O-CB 3.32Å; P219-L222 WeakPolarHBondContact O-CB 3.37Å; P219-L222 WeakPolarHBondContact O-CG 3.12Å; P219-L222 PolarHBondContact O-N 2.83Å; P219-P282 VanDerWaalsContact CG-O 3.26Å; P219-P282 WeakPolarHBondContact CG-O 3.27Å; P219-E283 HydrophobicContact CB-CG 4.14Å
220	K	98.6	Very high	98.4	Very high	157 Å²	157	47 Å²	47	68%	0.683	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-68.6	-17.1	179.8	-64.6	172.2	-173.7	166.3	0	113	D218 L222 R254	D218-K220 PolarHBondContact O-N 2.88Å; D218-K220 VanDerWaalsContact OD1-CB 3.3Å; D218-K220 WeakPolarHBondContact OD1-CB 3.48Å; D218-K220 WeakPolarHBondContact OD1-CG 3.37Å; D218-K220 PolarHBondContact OD1-N 2.95Å; K220-L222 VanDerWaalsContact C-N 3.3Å; K220-R254 PolarHBondContact O-NH1 3.19Å; K220-R254 PolarHBondContact O-NH2 2.99Å
221	Q	98.8	Very high	98.5	Very high	37 Å²	37	45.7 Å²	45.7	17%	0.173	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-78.6	-14.9	175.8	-65.3	-178.6	-79.9	0	0	112.5	I180 E181 D182 V217 D218 P219 V223	I180-Q221 CarbonylContact C-O 3.41Å; I180-Q221 VanDerWaalsContact CA-O 3.24Å; I180-Q221 WeakPolarHBondContact CA-O 3.24Å; I180-Q221 HydrophobicContact CB-CB 4.17Å; I180-Q221 WeakPolarHBondContact CB-O 3.26Å; I180-Q221 HydrophobicContact CG2-CB 4.45Å; E181-Q221 PolarHBondContact N-O 3.39Å; E181-Q221 VanDerWaalsContact O-CB 3.31Å; E181-Q221 WeakPolarHBondContact O-CB 3.48Å; E181-Q221 WeakPolarHBondContact O-CG 3.1Å; E181-Q221 PolarHBondContact O-NE2 3.48Å; D182-Q221 PolarHBondContact OD1-NE2 2.96Å; V217-Q221 HydrophobicContact CG1-CB 4.33Å; D218-Q221 HydrophobicContact CB-CG 4.18Å; D218-Q221 VanDerWaalsContact N-OE1 3.07Å; D218-Q221 VanDerWaalsContact O-CB 3.27Å; D218-Q221 WeakPolarHBondContact O-CB 3.26Å; D218-Q221 PolarHBondContact O-N 3.23Å; P219-Q221 PolarHBondContact O-N 3.5Å; Q221-V223 PolarHBondContact O-N 3.2Å
222	L	98.9	Very high	98.5	Very high	19 Å²	19	42.4 Å²	42.4	10%	0.099	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-62.8	122.2	179	-66.8	172.2	0	0	0	111.5	T178 I180 P219 K220 P282 E283	T178-L222 HydrophobicContact CG2-CD2 3.47Å; T178-L222 VanDerWaalsContact CG2-CD2 3.47Å; I180-L222 HydrophobicContact CG2-CD2 3.99Å; P219-L222 VanDerWaalsContact O-CB 3.32Å; P219-L222 WeakPolarHBondContact O-CB 3.37Å; P219-L222 WeakPolarHBondContact O-CG 3.12Å; P219-L222 PolarHBondContact O-N 2.83Å; K220-L222 VanDerWaalsContact C-N 3.3Å; L222-P282 HydrophobicContact CD1-CB 4.3Å; L222-P282 HydrophobicContact CD2-CG 4.18Å; L222-E283 HydrophobicContact CD1-CG 3.75Å
223	V	98.9	Very high	98.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.235	C	C	.	.			trans	-102.2	-26.9	178.7	-177.9	0	0	0	0	111.4	A179 E181 Q221 V252 K253 R254 D256 I258 V302	A179-V223 PolarHBondContact O-N 2.84Å; E181-V223 HydrophobicContact CB-CG2 4.01Å; Q221-V223 PolarHBondContact O-N 3.2Å; V223-V252 HydrophobicContact CG1-CG1 4.13Å; V223-K253 WeakPolarHBondContact O-CB 3.24Å; V223-K253 PolarHBondContact O-N 3.2Å; V223-R254 HydrophobicContact CG1-CG 4.48Å; V223-D256 HydrophobicContact CG1-CB 3.86Å; V223-D256 HydrophobicContact CG2-CB 3.89Å; V223-I258 HydrophobicContact CB-CD1 4.18Å; V223-I258 HydrophobicContact CB-CG1 3.91Å; V223-I258 HydrophobicContact CG1-CD1 3.85Å; V223-I258 HydrophobicContact CG1-CG1 3.79Å; V223-I258 HydrophobicContact CG2-CG1 4.09Å; V223-V302 HydrophobicContact CG1-CG2 3.82Å
224	T	98.9	Very high	98.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-117.4	176.6	-174.3	65	0	0	0	0	113.3	T178 A179 L250 Q251 V252 K253 I258 I308	T178-T224 PolarHBondContact OG1-OG1 2.6Å; A179-T224 HydrophobicContact CB-CG2 3.79Å; A179-T224 PolarHBondContact N-OG1 3.29Å; T224-L250 HydrophobicContact CG2-CB 3.97Å; T224-Q251 CarbonylContact C-O 3.46Å; T224-Q251 WeakPolarHBondContact CA-O 3.35Å; T224-Q251 WeakPolarHBondContact CB-O 3.11Å; T224-V252 HydrophobicContact CG2-CG2 4.24Å; T224-K253 WeakPolarHBondContact O-CD 3.44Å; T224-K253 WeakPolarHBondContact O-CE 3.42Å; T224-K253 PolarHBondContact O-NZ 3.49Å; T224-I258 HydrophobicContact CG2-CD1 4.08Å; T224-I308 HydrophobicContact CG2-CD1 4.14Å
225	N	98.8	Very high	98.7	Very high	49 Å²	49	43.2 Å²	43.2	26%	0.262	22%	0.223	S	C	.	.			trans	-69.2	-172.9	155.6	68.3	-10.3	0	0	0	111.1	T178 L250 Q251	T178-N225 PolarHBondContact OG1-O 2.86Å; N225-L250 WeakPolarHBondContact OD1-CA 3.4Å; N225-Q251 PolarHBondContact N-O 3.08Å; N225-Q251 PolarHBondContact OD1-N 2.81Å
226	S	98.8	Very high	98.7	Very high	40 Å²	40	45.8 Å²	45.8	28%	0.28	24%	0.24	S	C	.	.			trans	-114.9	144.9	173.8	-52	0	0	0	0	110.3	V177 Y264	V177-S226 CarbonylContact O-C 3.59Å; V177-S226 VanDerWaalsContact O-CA 3.27Å; V177-S226 WeakPolarHBondContact O-CA 3.27Å; S226-Y264 WeakPolarHBondContact CB-OH 3.5Å; S226-Y264 PolarHBondContact OG-OH 3.2Å
227	C	98.9	Very high	98.7	Very high	26 Å²	26	42.4 Å²	42.4	18%	0.176	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.9	175.9	-169.4	0	0	0	0	109.7	Y176 V177 I229 F248 C249 L250	Y176-C227 CarbonylContact C-O 3.53Å; Y176-C227 VanDerWaalsContact CA-O 3.22Å; Y176-C227 WeakPolarHBondContact CA-O 3.33Å; V177-C227 HydrophobicContact CG1-CB 4.05Å; V177-C227 PolarHBondContact N-O 3.2Å; V177-C227 PolarHBondContact O-N 3.48Å; C227-I229 PolarHBondContact O-N 3.34Å; C227-F248 HydrophobicContact CB-CB 4Å; C227-C249 WeakPolarHBondContact CB-O 3.27Å; C227-L250 HydrophobicContact CB-CD2 3.74Å
228	L	98.9	Very high	98.7	Very high	72 Å²	72	47.6 Å²	47.6	38%	0.377	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	121	172.2	175.9	68.6	0	0	0	108.5	T174 Y176 R230	T174-L228 HydrophobicContact CG2-CD1 3.84Å; Y176-L228 HydrophobicContact CD1-CB 4.11Å; Y176-L228 HydrophobicContact CD1-CD1 4.45Å; Y176-L228 HydrophobicContact CE1-CB 3.77Å; Y176-L228 HydrophobicContact CE1-CD1 4Å; Y176-L228 HydrophobicContact CE1-CG 4.48Å; Y176-L228 HydrophobicContact CE2-CD1 4.1Å; L228-R230 WeakPolarHBondContact CD1-O 3.39Å
229	I	98.6	Very high	98.5	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-20.5	179.2	56.6	168	0	0	0	112.5	L175 V177 C227 S246 F248 T263 L312	L175-I229 HydrophobicContact CB-CG1 4.17Å; L175-I229 HydrophobicContact CD2-CD1 3.65Å; L175-I229 HydrophobicContact CD2-CG1 4.02Å; L175-I229 HydrophobicContact CG-CD1 3.87Å; L175-I229 HydrophobicContact CG-CG1 3.91Å; L175-I229 VanDerWaalsContact O-CG1 3.22Å; L175-I229 WeakPolarHBondContact O-CG1 3.4Å; L175-I229 PolarHBondContact O-N 2.79Å; V177-I229 HydrophobicContact CB-CD1 4.29Å; V177-I229 HydrophobicContact CB-CG2 4.27Å; V177-I229 HydrophobicContact CG1-CG2 3.6Å; C227-I229 PolarHBondContact O-N 3.34Å; I229-S246 WeakPolarHBondContact O-CB 3.33Å; I229-S246 PolarHBondContact O-OG 3.12Å; I229-F248 HydrophobicContact CG2-CB 3.92Å; I229-T263 HydrophobicContact CD1-CG2 4.39Å; I229-L312 HydrophobicContact CD1-CB 4.46Å; I229-L312 HydrophobicContact CD1-CD1 3.86Å; I229-L312 HydrophobicContact CD1-CD2 4.15Å; I229-L312 HydrophobicContact CD1-CG 4.38Å
230	R	98.5	Very high	98.4	Very high	48 Å²	48	50.1 Å²	50.1	18%	0.181	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	137.2	174.1	-168.1	65.7	-165.4	-163.5	-1.8	111.8	F146 T174 L175 L228 V232 D241 F244	F146-R230 HydrophobicContact CE2-CG 4.27Å; F146-R230 HydrophobicContact CZ-CG 3.98Å; T174-R230 CarbonylContact C-O 3.58Å; T174-R230 VanDerWaalsContact CA-O 3.27Å; T174-R230 WeakPolarHBondContact CA-O 3.41Å; L175-R230 HydrophobicContact CB-CB 3.95Å; L175-R230 PolarHBondContact N-O 3.06Å; L175-R230 PolarHBondContact O-N 3.15Å; L175-R230 VanDerWaalsContact O-N 3.17Å; L228-R230 WeakPolarHBondContact CD1-O 3.39Å; R230-V232 HydrophobicContact CG-CG2 4.16Å; R230-D241 PolarHBondContact NH1-O 3.44Å; R230-D241 PolarHBondContact NH2-O 2.93Å; R230-F244 HydrophobicContact CB-CE1 4.28Å; R230-F244 HydrophobicContact CB-CE2 4.14Å; R230-F244 HydrophobicContact CB-CZ 3.77Å; R230-F244 HydrophobicContact CG-CD1 4.38Å; R230-F244 HydrophobicContact CG-CE1 3.78Å; R230-F244 HydrophobicContact CG-CE2 4.37Å; R230-F244 HydrophobicContact CG-CZ 3.8Å
231	E	98.6	Very high	98.3	Very high	84 Å²	84	45.5 Å²	45.5	39%	0.393	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139.3	166.6	-176.4	171.1	147.4	0	0	108.6	R172 T174	R172-E231 VanDerWaalsContact CZ-CD 3.48Å; R172-E231 IonicContact CZ-OE1 2.79Å; R172-E231 IonicContact CZ-OE2 3.76Å; R172-E231 IonicContact NH1-OE1 2.67Å; R172-E231 PolarHBondContact NH1-OE1 2.8Å; R172-E231 IonicContact NH2-OE1 2.84Å; R172-E231 PolarHBondContact NH2-OE1 2.98Å; R172-E231 IonicContact NH2-OE2 3.68Å; R172-E231 PolarHBondContact NH2-OE2 2.91Å; T174-E231 HydrophobicContact CG2-CB 4.21Å; T174-E231 HydrophobicContact CG2-CG 3.96Å
232	V	98.8	Very high	98.2	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	112.6	179.5	-178	0	0	0	0	107.7	F146 L151 R172 A173 R230 I234 V237	F146-V232 HydrophobicContact CE1-CG2 3.94Å; F146-V232 HydrophobicContact CZ-CG2 3.71Å; L151-V232 HydrophobicContact CD2-CG1 4.13Å; R172-V232 WeakPolarHBondContact CA-O 3.29Å; A173-V232 HydrophobicContact CB-CB 4.28Å; A173-V232 PolarHBondContact N-O 2.78Å; A173-V232 PolarHBondContact O-N 3.23Å; R230-V232 HydrophobicContact CG-CG2 4.16Å; V232-I234 HydrophobicContact CG1-CG1 3.96Å; V232-V237 HydrophobicContact CG1-CB 4.07Å; V232-V237 HydrophobicContact CG1-CG1 3.83Å; V232-V237 HydrophobicContact CG1-CG2 4.19Å
233	D	98.8	Very high	98.2	Very high	62 Å²	62	47.1 Å²	47.1	33%	0.332	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	109.6	160.2	172.2	13.4	0	0	0	108	Y235 T236 V237	D233-Y235 PolarHBondContact O-N 2.84Å; D233-Y235 WeakPolarHBondContact OD1-CB 3.31Å; D233-Y235 VanDerWaalsContact OD1-CD2 3.31Å; D233-Y235 WeakPolarHBondContact OD1-CD2 3.47Å; D233-Y235 PolarHBondContact OD1-N 2.8Å; D233-Y235 VanDerWaalsContact OD1-N 3.08Å; D233-T236 PolarHBondContact O-N 3.37Å; D233-T236 VanDerWaalsContact O-N 3.12Å; D233-T236 PolarHBondContact O-OG1 2.93Å; D233-T236 PolarHBondContact OD2-OG1 2.85Å; D233-V237 WeakPolarHBondContact O-CB 3.47Å; D233-V237 WeakPolarHBondContact O-CG1 3.31Å; D233-V237 PolarHBondContact O-N 3.16Å
234	I	98.8	Very high	98.1	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-16.3	-171.5	-55.1	170.3	0	0	0	110.9	W140 L151 V154 R158 I168 P170 D171 V232 T236	W140-I234 HydrophobicContact CZ2-CD1 3.64Å; W140-I234 HydrophobicContact CZ2-CG1 4.37Å; L151-I234 HydrophobicContact CD1-CG2 4.39Å; V154-I234 HydrophobicContact CG1-CG2 4.1Å; R158-I234 VanDerWaalsContact CD-O 3.28Å; R158-I234 WeakPolarHBondContact CD-O 3.43Å; R158-I234 PolarHBondContact NH1-O 3.22Å; I168-I234 HydrophobicContact CD1-CB 4.45Å; I168-I234 HydrophobicContact CD1-CG2 3.95Å; I168-I234 HydrophobicContact CG2-CG2 3.94Å; P170-I234 HydrophobicContact CG-CD1 4.47Å; P170-I234 WeakPolarHBondContact O-CD1 3.3Å; D171-I234 WeakPolarHBondContact O-CB 3.43Å; D171-I234 WeakPolarHBondContact O-CG1 3.26Å; D171-I234 PolarHBondContact O-N 2.92Å; V232-I234 HydrophobicContact CG1-CG1 3.96Å; I234-T236 VanDerWaalsContact C-N 3.34Å
235	Y	98.7	Very high	98.1	Very high	50 Å²	50	52 Å²	52	20%	0.196	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-29.9	173.3	-67.1	-72.5	0	0	0	113.2	R158 G166 I168 D171 D233 R271	R158-Y235 PolarHBondContact NH1-O 2.82Å; G166-Y235 WeakPolarHBondContact O-CE1 3.4Å; I168-Y235 HydrophobicContact CB-CE1 4.3Å; I168-Y235 HydrophobicContact CD1-CD1 3.75Å; I168-Y235 HydrophobicContact CD1-CE1 3.99Å; I168-Y235 HydrophobicContact CD1-CG 4.36Å; I168-Y235 HydrophobicContact CG1-CD1 4.02Å; I168-Y235 HydrophobicContact CG1-CE1 3.71Å; I168-Y235 PolarHBondContact N-OH 3.02Å; D171-Y235 HydrophobicContact CB-CD2 4.11Å; D171-Y235 HydrophobicContact CB-CE2 3.41Å; D171-Y235 VanDerWaalsContact CB-CE2 3.41Å; D233-Y235 PolarHBondContact O-N 2.84Å; D233-Y235 WeakPolarHBondContact OD1-CB 3.31Å; D233-Y235 VanDerWaalsContact OD1-CD2 3.31Å; D233-Y235 WeakPolarHBondContact OD1-CD2 3.47Å; D233-Y235 PolarHBondContact OD1-N 2.8Å; D233-Y235 VanDerWaalsContact OD1-N 3.08Å; Y235-R271 WeakPolarHBondContact OH-CG 3.37Å; Y235-R271 PolarHBondContact OH-NE 2.93Å; Y235-R271 VanDerWaalsContact OH-NE 3.15Å
236	T	98.6	Very high	98.1	Very high	94 Å²	94	50.5 Å²	50.5	58%	0.577	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.7	-22.3	-166.4	56.1	0	0	0	0	114.1	D233 I234	D233-T236 PolarHBondContact O-N 3.37Å; D233-T236 VanDerWaalsContact O-N 3.12Å; D233-T236 PolarHBondContact O-OG1 2.93Å; D233-T236 PolarHBondContact OD2-OG1 2.85Å; I234-T236 VanDerWaalsContact C-N 3.34Å
237	V	98.5	Very high	98.1	Very high	7 Å²	7	53.2 Å²	53.2	4%	0.042	29%	0.289	C	S	.	.			trans	-58.7	141.7	-179.2	71.1	0	0	0	0	111.9	I155 R158 V232 D233 D241 L242	I155-V237 HydrophobicContact CD1-CG1 3.98Å; I155-V237 HydrophobicContact CG1-CG1 4.13Å; R158-V237 PolarHBondContact NH1-O 2.84Å; R158-V237 PolarHBondContact NH2-O 2.87Å; V232-V237 HydrophobicContact CG1-CB 4.07Å; V232-V237 HydrophobicContact CG1-CG1 3.83Å; V232-V237 HydrophobicContact CG1-CG2 4.19Å; D233-V237 WeakPolarHBondContact O-CB 3.47Å; D233-V237 WeakPolarHBondContact O-CG1 3.31Å; D233-V237 PolarHBondContact O-N 3.16Å; V237-D241 HydrophobicContact CG2-CB 3.91Å; V237-L242 HydrophobicContact CG2-CD2 3.78Å
238	K	98.3	Very high	98.1	Very high	114 Å²	114	52.3 Å²	52.3	50%	0.496	28%	0.282	S	S	.	.			trans	-110.9	160.2	173	-59	176.9	-177.8	177.6	0	110.7	E240 D241	K238-E240 HydrophobicContact CB-CG 3.89Å; K238-E240 HydrophobicContact CD-CG 4.32Å; K238-E240 VanDerWaalsContact CD-OE1 3.31Å; K238-E240 WeakPolarHBondContact CD-OE1 3.5Å; K238-E240 IonicContact NZ-OE1 2.62Å; K238-E240 PolarHBondContact O-N 3.17Å; K238-D241 WeakPolarHBondContact CB-OD2 3.3Å; K238-D241 PolarHBondContact N-OD2 2.97Å; K238-D241 VanDerWaalsContact O-CB 3.31Å; K238-D241 WeakPolarHBondContact O-CB 3.37Å; K238-D241 PolarHBondContact O-N 3.18Å
239	A	95	Very high	98.1	Very high	51 Å²	51	50.9 Å²	50.9	42%	0.421	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-57.5	-37.3	177.8	0	0	0	0	0	112.6	N152 D241 L242	N152-A239 WeakPolarHBondContact OD1-CB 3.28Å; A239-D241 PolarHBondContact O-N 2.87Å; A239-L242 WeakPolarHBondContact O-CB 3.41Å; A239-L242 PolarHBondContact O-N 3.41Å
240	E	96.5	Very high	98.1	Very high	136 Å²	136	50.6 Å²	50.6	64%	0.636	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-62.5	-29.2	176	62.8	-162.9	-166.8	0	0	113.1	K238 L242 T243	K238-E240 HydrophobicContact CB-CG 3.89Å; K238-E240 HydrophobicContact CD-CG 4.32Å; K238-E240 VanDerWaalsContact CD-OE1 3.31Å; K238-E240 WeakPolarHBondContact CD-OE1 3.5Å; K238-E240 IonicContact NZ-OE1 2.62Å; K238-E240 PolarHBondContact O-N 3.17Å; E240-L242 PolarHBondContact O-N 2.78Å; E240-T243 PolarHBondContact O-N 2.87Å
241	D	97	Very high	98.1	Very high	59 Å²	59	52.8 Å²	52.8	32%	0.316	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-73.4	-16.2	179.4	-58.2	-43.3	0	0	0	112.6	R230 V237 K238 A239 T243	R230-D241 PolarHBondContact NH1-O 3.44Å; R230-D241 PolarHBondContact NH2-O 2.93Å; V237-D241 HydrophobicContact CG2-CB 3.91Å; K238-D241 WeakPolarHBondContact CB-OD2 3.3Å; K238-D241 PolarHBondContact N-OD2 2.97Å; K238-D241 VanDerWaalsContact O-CB 3.31Å; K238-D241 WeakPolarHBondContact O-CB 3.37Å; K238-D241 PolarHBondContact O-N 3.18Å; A239-D241 PolarHBondContact O-N 2.87Å; D241-T243 VanDerWaalsContact C-N 3.27Å
242	L	96	Very high	98.2	Very high	15 Å²	15	49 Å²	49	8%	0.079	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-79.6	-11.7	-179.7	-53	-173.7	0	0	0	112.8	F146 L151 N152 I155 V237 A239 E240	F146-L242 HydrophobicContact CE1-CD2 4.05Å; L151-L242 HydrophobicContact CB-CD1 4.23Å; L151-L242 HydrophobicContact CD2-CD1 3.9Å; L151-L242 HydrophobicContact CD2-CD2 3.61Å; L151-L242 HydrophobicContact CD2-CG 4.43Å; L151-L242 HydrophobicContact CG-CD1 4.08Å; N152-L242 WeakPolarHBondContact OD1-CD1 3.28Å; I155-L242 HydrophobicContact CD1-CD1 4.08Å; V237-L242 HydrophobicContact CG2-CD2 3.78Å; A239-L242 WeakPolarHBondContact O-CB 3.41Å; A239-L242 PolarHBondContact O-N 3.41Å; E240-L242 PolarHBondContact O-N 2.78Å
243	T	97.8	Very high	98.1	Very high	76 Å²	76	54.4 Å²	54.4	47%	0.466	30%	0.295	S	S	.	.	S	Bend	trans	-95.6	111.9	164.5	-64.7	0	0	0	0	108.5	E240 D241 M314 K315 P316	E240-T243 PolarHBondContact O-N 2.87Å; D241-T243 VanDerWaalsContact C-N 3.27Å; T243-M314 WeakPolarHBondContact CA-O 3.43Å; T243-K315 HydrophobicContact CG2-CB 3.74Å; T243-P316 WeakPolarHBondContact OG1-CD 3.24Å
244	F	98.3	Very high	98.1	Very high	17 Å²	17	55.8 Å²	55.8	8%	0.075	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	163.1	-172.9	66.1	-95.1	0	0	0	113.2	F146 R230 S246 S313 M314	F146-F244 HydrophobicContact CE2-CE1 4.09Å; F146-F244 HydrophobicContact CE2-CZ 4.3Å; F146-F244 HydrophobicContact CZ-CE1 4.45Å; R230-F244 HydrophobicContact CB-CE1 4.28Å; R230-F244 HydrophobicContact CB-CE2 4.14Å; R230-F244 HydrophobicContact CB-CZ 3.77Å; R230-F244 HydrophobicContact CG-CD1 4.38Å; R230-F244 HydrophobicContact CG-CE1 3.78Å; R230-F244 HydrophobicContact CG-CE2 4.37Å; R230-F244 HydrophobicContact CG-CZ 3.8Å; F244-S246 VanDerWaalsContact CD2-OG 3.27Å; F244-S246 WeakPolarHBondContact CD2-OG 3.5Å; F244-S313 CarbonylContact O-C 3.58Å; F244-S313 VanDerWaalsContact O-CA 3.24Å; F244-S313 WeakPolarHBondContact O-CA 3.49Å; F244-M314 HydrophobicContact CD1-CE 4.19Å; F244-M314 HydrophobicContact CE1-CE 3.29Å; F244-M314 HydrophobicContact CZ-CB 4.36Å; F244-M314 HydrophobicContact CZ-CE 3.74Å; F244-M314 PolarHBondContact N-O 3.34Å; F244-M314 VanDerWaalsContact N-O 3.08Å; F244-M314 PolarHBondContact O-N 2.96Å
245	T	98.8	Very high	98.1	Very high	86 Å²	86	60.7 Å²	60.7	53%	0.528	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.1	165.7	-60.6	0	0	0	0	108	T311 L312 S313	T245-T311 HydrophobicContact CG2-CG2 4.35Å; T245-L312 WeakPolarHBondContact CA-O 3.12Å; T245-S313 WeakPolarHBondContact CB-OG 3.36Å; T245-S313 WeakPolarHBondContact CG2-OG 3.29Å; T245-S313 WeakPolarHBondContact OG1-CB 3.42Å; T245-S313 PolarHBondContact OG1-OG 3.48Å
246	S	98.6	Very high	98.2	Very high	16 Å²	16	60 Å²	60	11%	0.112	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.1	-178.3	-68.4	0	0	0	0	111	I229 F244 T311 L312	I229-S246 WeakPolarHBondContact O-CB 3.33Å; I229-S246 PolarHBondContact O-OG 3.12Å; F244-S246 VanDerWaalsContact CD2-OG 3.27Å; F244-S246 WeakPolarHBondContact CD2-OG 3.5Å; S246-T311 CarbonylContact O-C 3.55Å; S246-T311 VanDerWaalsContact O-CA 3.26Å; S246-T311 WeakPolarHBondContact O-CA 3.21Å; S246-L312 PolarHBondContact N-O 3.33Å; S246-L312 PolarHBondContact O-N 3.21Å
247	P	98.7	Very high	98.2	Very high	98 Å²	98	61 Å²	61	64%	0.636	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	152.3	172.5	32	-34.6	0	0	0	110.3	G310	P247-G310 CarbonylContact C-O 3.49Å; P247-G310 VanDerWaalsContact CA-O 3.28Å; P247-G310 WeakPolarHBondContact CA-O 3.39Å
248	F	98.8	Very high	98.2	Very high	7 Å²	7	60.8 Å²	60.8	3%	0.031	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154	168.7	65.9	-97.8	0	0	0	111.2	V177 C227 I229 L250 L261 I308 F309 G310 L312 V328 V330	V177-F248 HydrophobicContact CG1-CB 3.75Å; V177-F248 HydrophobicContact CG1-CD1 4.38Å; V177-F248 HydrophobicContact CG1-CD2 4.37Å; V177-F248 HydrophobicContact CG1-CG 3.93Å; C227-F248 HydrophobicContact CB-CB 4Å; I229-F248 HydrophobicContact CG2-CB 3.92Å; F248-L250 HydrophobicContact CD2-CD1 4.24Å; F248-L250 HydrophobicContact CD2-CG 4.01Å; F248-L250 HydrophobicContact CE2-CD1 4.33Å; F248-L250 HydrophobicContact CE2-CG 4.5Å; F248-L261 HydrophobicContact CE1-CD1 4.49Å; F248-L261 HydrophobicContact CZ-CD1 3.95Å; F248-I308 HydrophobicContact CE2-CG2 4.33Å; F248-F309 WeakPolarHBondContact O-CA 3.36Å; F248-G310 PolarHBondContact N-O 3.18Å; F248-G310 PolarHBondContact O-N 3.33Å; F248-L312 HydrophobicContact CD1-CB 4.47Å; F248-V328 HydrophobicContact CE1-CG1 4.28Å; F248-V328 HydrophobicContact CZ-CG1 4.49Å; F248-V330 HydrophobicContact CZ-CG2 4.44Å
249	C	98.8	Very high	98.2	Very high	42 Å²	42	55.5 Å²	55.5	28%	0.284	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	125.4	167.9	174.7	0	0	0	0	108.5	C227 I308 F309	C227-C249 WeakPolarHBondContact CB-O 3.27Å; C249-I308 CarbonylContact C-O 3.26Å; C249-I308 WeakPolarHBondContact CA-O 3.44Å; C249-F309 HydrophobicContact CB-CD1 3.86Å; C249-F309 HydrophobicContact CB-CE1 3.83Å; C249-F309 WeakPolarHBondContact SG-CE1 3.45Å
250	L	98.9	Very high	98.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	118.4	179.4	-60.9	177.1	0	0	0	109.9	V177 A179 T224 N225 C227 F248 L261 E307 I308	V177-L250 HydrophobicContact CG1-CD2 4.31Å; V177-L250 WeakPolarHBondContact O-CD2 3.32Å; A179-L250 HydrophobicContact CB-CD1 3.98Å; T224-L250 HydrophobicContact CG2-CB 3.97Å; N225-L250 WeakPolarHBondContact OD1-CA 3.4Å; C227-L250 HydrophobicContact CB-CD2 3.74Å; F248-L250 HydrophobicContact CD2-CD1 4.24Å; F248-L250 HydrophobicContact CD2-CG 4.01Å; F248-L250 HydrophobicContact CE2-CD1 4.33Å; F248-L250 HydrophobicContact CE2-CG 4.5Å; L250-L261 HydrophobicContact CD1-CD2 3.98Å; L250-E307 WeakPolarHBondContact O-CA 3.26Å; L250-I308 HydrophobicContact CB-CB 4.34Å; L250-I308 PolarHBondContact N-O 3.42Å; L250-I308 PolarHBondContact O-N 2.89Å
251	Q	98.8	Very high	98.5	Very high	94 Å²	94	46.9 Å²	46.9	44%	0.439	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.5	175.8	-172.5	177.2	44.3	0	0	110.2	T224 N225 K253	T224-Q251 CarbonylContact C-O 3.46Å; T224-Q251 WeakPolarHBondContact CA-O 3.35Å; T224-Q251 WeakPolarHBondContact CB-O 3.11Å; N225-Q251 PolarHBondContact N-O 3.08Å; N225-Q251 PolarHBondContact OD1-N 2.81Å; Q251-K253 PolarHBondContact O-N 2.76Å
252	V	98.9	Very high	98.6	Very high	3 Å²	3	44 Å²	44	2%	0.018	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-73.1	122.8	179.5	177.6	0	0	0	0	110.3	V223 T224 R254 V302 K303 G305 E306 I308	V223-V252 HydrophobicContact CG1-CG1 4.13Å; T224-V252 HydrophobicContact CG2-CG2 4.24Å; V252-R254 WeakPolarHBondContact CG1-O 3.15Å; V252-V302 HydrophobicContact CG1-CB 4.01Å; V252-V302 HydrophobicContact CG1-CG2 3.58Å; V252-V302 HydrophobicContact CG2-CB 3.91Å; V252-V302 HydrophobicContact CG2-CG1 4.29Å; V252-V302 HydrophobicContact CG2-CG2 4.06Å; V252-K303 WeakPolarHBondContact CB-O 3.35Å; V252-K303 VanDerWaalsContact CG1-O 3.24Å; V252-K303 WeakPolarHBondContact CG1-O 3.47Å; V252-G305 PolarHBondContact O-N 2.67Å; V252-E306 WeakPolarHBondContact CB-O 3.33Å; V252-E306 HydrophobicContact CG2-CB 4.42Å; V252-E306 VanDerWaalsContact CG2-O 3.3Å; V252-E306 WeakPolarHBondContact CG2-O 3.2Å; V252-E306 PolarHBondContact N-O 3.01Å; V252-I308 HydrophobicContact CG2-CD1 4.43Å
253	K	98.7	Very high	98.7	Very high	116 Å²	116	43.4 Å²	43.4	50%	0.504	22%	0.223	S	C	.	.			trans	-88.3	-29.3	-178.7	-67.2	175.5	175.4	159	0	112.9	V223 T224 Q251 T304	V223-K253 WeakPolarHBondContact O-CB 3.24Å; V223-K253 PolarHBondContact O-N 3.2Å; T224-K253 WeakPolarHBondContact O-CD 3.44Å; T224-K253 WeakPolarHBondContact O-CE 3.42Å; T224-K253 PolarHBondContact O-NZ 3.49Å; Q251-K253 PolarHBondContact O-N 2.76Å; K253-T304 WeakPolarHBondContact O-CG2 3.42Å; K253-T304 PolarHBondContact O-OG1 2.91Å
254	R	98.7	Very high	98.8	Very high	91 Å²	91	40.8 Å²	40.8	34%	0.343	21%	0.205	S	C	.	.	S	Bend	trans	-143.7	152.9	-178	70.4	-177.7	-167.4	-153.9	3.3	111.3	K220 V223 V252 D256 T304	K220-R254 PolarHBondContact O-NH1 3.19Å; K220-R254 PolarHBondContact O-NH2 2.99Å; V223-R254 HydrophobicContact CG1-CG 4.48Å; V252-R254 WeakPolarHBondContact CG1-O 3.15Å; R254-D256 HydrophobicContact CG-CB 4.27Å; R254-D256 IonicContact CZ-OD2 3.93Å; R254-D256 IonicContact NE-OD2 3.84Å; R254-D256 PolarHBondContact NE-OD2 2.93Å; R254-D256 IonicContact NH2-OD2 3.03Å; R254-D256 PolarHBondContact NH2-OD2 3.41Å; R254-D256 PolarHBondContact O-N 3.04Å; R254-T304 WeakPolarHBondContact CA-OG1 3.5Å
255	N	98.8	Very high	98.8	Very high	102 Å²	102	40 Å²	40	55%	0.545	20%	0.202	S	C	.	.	S	Bend	trans	-63.5	124.5	168.9	-60.8	-3.4	0	0	0	109	V302 K303 T304	N255-V302 WeakPolarHBondContact CA-O 3.37Å; N255-K303 VanDerWaalsContact OD1-CA 3.28Å; N255-K303 WeakPolarHBondContact OD1-CA 3.43Å; N255-T304 PolarHBondContact N-OG1 2.83Å; N255-T304 PolarHBondContact OD1-N 3.18Å; N255-T304 PolarHBondContact OD1-OG1 2.81Å
256	D	98.8	Very high	98.8	Very high	37 Å²	37	37.5 Å²	37.5	20%	0.198	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	-176.2	-176.8	-141.5	-28.7	0	0	0	111.9	E181 V223 R254 V302	E181-D256 WeakPolarHBondContact CG-OD1 3.21Å; V223-D256 HydrophobicContact CG1-CB 3.86Å; V223-D256 HydrophobicContact CG2-CB 3.89Å; R254-D256 HydrophobicContact CG-CB 4.27Å; R254-D256 IonicContact CZ-OD2 3.93Å; R254-D256 IonicContact NE-OD2 3.84Å; R254-D256 PolarHBondContact NE-OD2 2.93Å; R254-D256 IonicContact NH2-OD2 3.03Å; R254-D256 PolarHBondContact NH2-OD2 3.41Å; R254-D256 PolarHBondContact O-N 3.04Å; D256-V302 PolarHBondContact N-O 2.78Å; D256-V302 VanDerWaalsContact N-O 3.17Å; D256-V302 VanDerWaalsContact O-CG2 3.31Å; D256-V302 WeakPolarHBondContact O-CG2 3.37Å; D256-V302 PolarHBondContact O-N 3.39Å
257	Y	98.8	Very high	98.8	Very high	115 Å²	115	36.8 Å²	36.8	45%	0.451	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	139.9	164.4	-60.5	-78.2	0	0	0	111.1	E181 H259 Y299 L300 T301	E181-Y257 WeakPolarHBondContact CA-O 3.36Å; E181-Y257 VanDerWaalsContact CB-O 3.3Å; E181-Y257 WeakPolarHBondContact CB-O 3.41Å; E181-Y257 WeakPolarHBondContact CG-O 3.44Å; Y257-H259 VanDerWaalsContact CB-CE1 3.5Å; Y257-H259 WeakPolarHBondContact CB-CE1 3.24Å; Y257-Y299 AromaticContact CD1-CD2 3.62Å; Y257-Y299 HydrophobicContact CD1-CD2 3.62Å; Y257-Y299 AromaticContact CD1-CE2 3.73Å; Y257-Y299 HydrophobicContact CD1-CE2 3.73Å; Y257-Y299 HydrophobicContact CE1-CD2 4.25Å; Y257-Y299 AromaticContact CE1-CE2 3.88Å; Y257-Y299 HydrophobicContact CE1-CE2 3.88Å; Y257-Y299 HydrophobicContact CG-CD2 4.44Å; Y257-L300 CarbonylContact C-O 3.56Å; Y257-L300 VanDerWaalsContact CA-O 3.25Å; Y257-L300 WeakPolarHBondContact CA-O 3.19Å; Y257-T301 HydrophobicContact CD1-CG2 4.22Å; Y257-T301 HydrophobicContact CE1-CG2 3.79Å; Y257-T301 WeakPolarHBondContact CE1-OG1 3.3Å
258	I	98.8	Very high	98.8	Very high	1 Å²	1	34 Å²	34	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.6	174.5	-67.2	171.5	0	0	0	109.6	A179 I180 V223 T224 L296 Y299 L300 V302 I308	A179-I258 HydrophobicContact CB-CD1 3.95Å; A179-I258 HydrophobicContact CB-CG1 4.38Å; A179-I258 HydrophobicContact CB-CG2 3.8Å; I180-I258 WeakPolarHBondContact O-CA 3.4Å; V223-I258 HydrophobicContact CB-CD1 4.18Å; V223-I258 HydrophobicContact CB-CG1 3.91Å; V223-I258 HydrophobicContact CG1-CD1 3.85Å; V223-I258 HydrophobicContact CG1-CG1 3.79Å; V223-I258 HydrophobicContact CG2-CG1 4.09Å; T224-I258 HydrophobicContact CG2-CD1 4.08Å; I258-L296 HydrophobicContact CG2-CD1 4.26Å; I258-Y299 CarbonylContact O-C 3.6Å; I258-Y299 WeakPolarHBondContact O-CA 3.24Å; I258-Y299 WeakPolarHBondContact O-CB 3.32Å; I258-L300 HydrophobicContact CB-CB 4.18Å; I258-L300 PolarHBondContact N-O 2.83Å; I258-L300 PolarHBondContact O-N 2.64Å; I258-V302 HydrophobicContact CD1-CB 4.49Å; I258-V302 HydrophobicContact CD1-CG1 3.83Å; I258-V302 HydrophobicContact CD1-CG2 3.91Å; I258-V302 HydrophobicContact CG1-CG1 4.39Å; I258-V302 HydrophobicContact CG1-CG2 4.13Å; I258-I308 HydrophobicContact CD1-CD1 3.33Å
259	H	98.8	Very high	98.8	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.019	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-25.1	-175.1	-62.2	87.7	0	0	0	112.9	I180 E181 D182 R183 K186 Y257 L296	I180-H259 PolarHBondContact O-N 3.45Å; E181-H259 IonicContact OE1-CE1 2.75Å; E181-H259 PolarHBondContact OE1-CE1 3.38Å; E181-H259 IonicContact OE1-ND1 2.63Å; D182-H259 HydrophobicContact CB-CB 4.32Å; D182-H259 PolarHBondContact N-ND1 2.77Å; D182-H259 VanDerWaalsContact N-ND1 3.16Å; R183-H259 WeakPolarHBondContact CB-NE2 3.45Å; R183-H259 WeakPolarHBondContact CD-NE2 3.49Å; K186-H259 HydrophobicContact CD-CB 4.33Å; Y257-H259 VanDerWaalsContact CB-CE1 3.5Å; Y257-H259 WeakPolarHBondContact CB-CE1 3.24Å; H259-L296 PolarHBondContact O-N 2.99Å
260	A	98.8	Very high	98.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	155.1	-177.5	0	0	0	0	0	111.8	A179 I180 V293 F294 Y295	A179-A260 WeakPolarHBondContact CA-O 3.42Å; I180-A260 HydrophobicContact CD1-CB 4.32Å; I180-A260 HydrophobicContact CG1-CB 3.96Å; I180-A260 PolarHBondContact N-O 3.33Å; A260-V293 HydrophobicContact CB-CG1 3.52Å; A260-F294 CarbonylContact C-O 3.55Å; A260-F294 VanDerWaalsContact CA-O 3.22Å; A260-F294 WeakPolarHBondContact CA-O 3.2Å; A260-F294 WeakPolarHBondContact CB-O 3.48Å; A260-Y295 HydrophobicContact CB-CD1 3.77Å; A260-Y295 HydrophobicContact CB-CE1 4.2Å; A260-Y295 HydrophobicContact CB-CG 4.47Å
261	L	98.9	Very high	98.8	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.026	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	149.7	158.5	-58.9	-179.1	0	0	0	109.2	V177 T178 A179 F248 L250 F294 V328 V330	V177-L261 HydrophobicContact CG2-CB 4.07Å; V177-L261 HydrophobicContact CG2-CD1 4.42Å; T178-L261 CarbonylContact O-C 3.36Å; T178-L261 WeakPolarHBondContact O-CA 2.92Å; A179-L261 HydrophobicContact CB-CD2 3.78Å; F248-L261 HydrophobicContact CE1-CD1 4.49Å; F248-L261 HydrophobicContact CZ-CD1 3.95Å; L250-L261 HydrophobicContact CD1-CD2 3.98Å; L261-F294 HydrophobicContact CB-CB 4.4Å; L261-F294 PolarHBondContact N-O 2.94Å; L261-F294 PolarHBondContact O-N 2.97Å; L261-V328 HydrophobicContact CD1-CG1 3.73Å; L261-V330 HydrophobicContact CD1-CG2 4.25Å
262	V	98.9	Very high	98.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	130.1	179.7	178.1	0	0	0	0	108.9	V177 T178 I180 V217 Q291 T292 V293	V177-V262 CarbonylContact C-O 3.51Å; V177-V262 WeakPolarHBondContact CA-O 3.27Å; T178-V262 HydrophobicContact CG2-CB 3.95Å; T178-V262 HydrophobicContact CG2-CG1 4.5Å; T178-V262 PolarHBondContact N-O 2.89Å; T178-V262 PolarHBondContact O-N 3.39Å; I180-V262 HydrophobicContact CB-CG2 4.3Å; I180-V262 HydrophobicContact CD1-CG2 3.56Å; I180-V262 HydrophobicContact CG1-CG2 3.73Å; I180-V262 HydrophobicContact CG2-CB 4.45Å; I180-V262 HydrophobicContact CG2-CG2 3.64Å; V217-V262 HydrophobicContact CG2-CG1 4.13Å; V217-V262 HydrophobicContact CG2-CG2 4.12Å; V262-Q291 HydrophobicContact CG1-CB 3.58Å; V262-Q291 HydrophobicContact CG1-CG 4.11Å; V262-T292 CarbonylContact C-O 3.57Å; V262-T292 VanDerWaalsContact CA-O 3.31Å; V262-T292 WeakPolarHBondContact CA-O 3.39Å; V262-V293 HydrophobicContact CG2-CG1 4.49Å; V262-V293 HydrophobicContact CG2-CG2 4.29Å
263	T	98.9	Very high	98.7	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	147.1	170	68.3	0	0	0	0	111.5	C144 Y176 V177 I229 T292 F294 L312	C144-T263 PolarHBondContact SG-OG1 3Å; Y176-T263 WeakPolarHBondContact O-CA 3.41Å; Y176-T263 WeakPolarHBondContact O-CB 3.09Å; V177-T263 HydrophobicContact CB-CG2 4.32Å; V177-T263 HydrophobicContact CG2-CG2 4.2Å; I229-T263 HydrophobicContact CD1-CG2 4.39Å; T263-T292 PolarHBondContact N-O 3.17Å; T263-T292 PolarHBondContact O-N 2.89Å; T263-T292 WeakPolarHBondContact OG1-CB 3.31Å; T263-F294 HydrophobicContact CG2-CD2 4.23Å; T263-F294 HydrophobicContact CG2-CE2 3.66Å; T263-L312 HydrophobicContact CG2-CD1 4.08Å
264	Y	98.9	Very high	98.6	Very high	21 Å²	21	46.9 Å²	46.9	8%	0.082	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	165.5	174.8	67.6	-93.5	0	0	0	108.6	Y176 T178 S226 S281	Y176-Y264 HydrophobicContact CD2-CD2 4.42Å; Y176-Y264 AromaticContact CD2-CE2 3.85Å; Y176-Y264 HydrophobicContact CD2-CE2 3.85Å; Y176-Y264 AromaticContact CG-CE2 3.93Å; Y176-Y264 HydrophobicContact CG-CE2 3.93Å; Y176-Y264 AromaticContact CG-CZ 3.94Å; Y176-Y264 PolarHBondContact N-O 3.28Å; Y176-Y264 PolarHBondContact O-N 3.31Å; T178-Y264 HydrophobicContact CG2-CE1 4.26Å; S226-Y264 WeakPolarHBondContact CB-OH 3.5Å; S226-Y264 PolarHBondContact OG-OH 3.2Å; Y264-S281 VanDerWaalsContact CD2-CA 3.5Å; Y264-S281 VanDerWaalsContact CD2-CB 3.49Å; Y264-S281 VanDerWaalsContact CE2-CB 3.44Å
265	F	98.9	Very high	98.6	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.009	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	160.6	-177.5	63	-95.8	0	0	0	112.9	M141 L145 T174 L175 I267 F278 T280 W289	M141-F265 HydrophobicContact CB-CE2 4.11Å; M141-F265 HydrophobicContact CB-CZ 3.97Å; M141-F265 HydrophobicContact CG-CE2 4.17Å; L145-F265 HydrophobicContact CB-CB 4.07Å; L145-F265 HydrophobicContact CB-CD1 3.86Å; L145-F265 HydrophobicContact CB-CE1 4.5Å; L145-F265 HydrophobicContact CB-CG 4.02Å; L145-F265 HydrophobicContact CD1-CB 4.21Å; L145-F265 HydrophobicContact CD1-CD1 4.31Å; L145-F265 HydrophobicContact CD1-CD2 3.86Å; L145-F265 HydrophobicContact CD1-CE2 4.26Å; L145-F265 HydrophobicContact CD1-CG 3.88Å; L145-F265 HydrophobicContact CD2-CB 4.21Å; L145-F265 HydrophobicContact CG-CB 4.41Å; L145-F265 HydrophobicContact CG-CG 4.43Å; T174-F265 CarbonylContact O-C 3.54Å; T174-F265 WeakPolarHBondContact O-CA 3.5Å; T174-F265 VanDerWaalsContact O-CB 3.26Å; T174-F265 WeakPolarHBondContact O-CB 3.46Å; L175-F265 HydrophobicContact CD1-CB 4.14Å; F265-I267 HydrophobicContact CD2-CD1 3.89Å; F265-I267 HydrophobicContact CD2-CG1 3.81Å; F265-I267 HydrophobicContact CE2-CD1 4.09Å; F265-I267 HydrophobicContact CE2-CG1 3.78Å; F265-F278 HydrophobicContact CE2-CE2 4.16Å; F265-T280 HydrophobicContact CD1-CG2 4.42Å; F265-T280 HydrophobicContact CD2-CG2 4.11Å; F265-T280 HydrophobicContact CE1-CG2 4.08Å; F265-T280 HydrophobicContact CE2-CG2 3.73Å; F265-T280 HydrophobicContact CG-CG2 4.45Å; F265-T280 HydrophobicContact CZ-CG2 3.72Å; F265-T280 PolarHBondContact N-OG1 2.87Å; F265-T280 PolarHBondContact O-N 2.9Å; F265-T280 PolarHBondContact O-OG1 3.2Å; F265-W289 HydrophobicContact CE1-CB 4.07Å; F265-W289 HydrophobicContact CE1-CD2 4.41Å; F265-W289 AromaticContact CE1-CG 3.96Å; F265-W289 HydrophobicContact CE1-CG 3.96Å; F265-W289 HydrophobicContact CE2-CD2 4.45Å; F265-W289 HydrophobicContact CZ-CB 4.09Å; F265-W289 AromaticContact CZ-CD1 3.93Å; F265-W289 AromaticContact CZ-CD2 3.6Å; F265-W289 HydrophobicContact CZ-CD2 3.6Å; F265-W289 AromaticContact CZ-CE2 3.87Å; F265-W289 HydrophobicContact CZ-CE3 4.06Å; F265-W289 AromaticContact CZ-CG 3.61Å; F265-W289 HydrophobicContact CZ-CG 3.61Å; F265-W289 HydrophobicContact CZ-CZ2 4.48Å
266	N	98.9	Very high	98.6	Very high	32 Å²	32	49.4 Å²	49.4	17%	0.171	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	148.4	169.5	-51.3	-25.9	0	0	0	109.7	A173 T174 Y176 F278 S279	A173-N266 WeakPolarHBondContact CA-O 3.38Å; T174-N266 PolarHBondContact N-O 2.87Å; T174-N266 PolarHBondContact O-N 3.14Å; T174-N266 WeakPolarHBondContact OG1-CB 3.32Å; Y176-N266 VanDerWaalsContact CE2-ND2 3.27Å; Y176-N266 WeakPolarHBondContact CE2-ND2 3.49Å; N266-F278 WeakPolarHBondContact CA-O 3.37Å; N266-S279 WeakPolarHBondContact OD1-CA 3.22Å; N266-S279 WeakPolarHBondContact OD1-CB 3.45Å; N266-S279 PolarHBondContact OD1-OG 2.88Å
267	I	98.9	Very high	98.6	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.7	176.9	-61.2	-59	0	0	0	109.1	M141 L145 P170 A173 F265 F269 G277 F278	M141-I267 HydrophobicContact CE-CD1 4.35Å; M141-I267 HydrophobicContact CE-CG1 4.05Å; M141-I267 HydrophobicContact CG-CD1 3.66Å; M141-I267 HydrophobicContact CG-CG1 4.24Å; M141-I267 HydrophobicContact SD-CD1 3.97Å; M141-I267 HydrophobicContact SD-CG1 4.33Å; L145-I267 HydrophobicContact CD1-CD1 4.09Å; P170-I267 HydrophobicContact CB-CG2 3.32Å; P170-I267 HydrophobicContact CG-CG2 3.51Å; A173-I267 HydrophobicContact CB-CD1 3.61Å; F265-I267 HydrophobicContact CD2-CD1 3.89Å; F265-I267 HydrophobicContact CD2-CG1 3.81Å; F265-I267 HydrophobicContact CE2-CD1 4.09Å; F265-I267 HydrophobicContact CE2-CG1 3.78Å; I267-F269 HydrophobicContact CG2-CE2 4.02Å; I267-F269 HydrophobicContact CG2-CZ 4.48Å; I267-G277 CarbonylContact O-C 3.59Å; I267-G277 WeakPolarHBondContact O-CA 3.22Å; I267-F278 HydrophobicContact CB-CD1 4.13Å; I267-F278 HydrophobicContact CB-CE1 3.7Å; I267-F278 HydrophobicContact CB-CE2 4.27Å; I267-F278 HydrophobicContact CB-CZ 3.78Å; I267-F278 HydrophobicContact CG1-CE1 4.04Å; I267-F278 HydrophobicContact CG1-CE2 3.96Å; I267-F278 HydrophobicContact CG1-CZ 3.57Å; I267-F278 HydrophobicContact CG2-CE1 3.93Å; I267-F278 HydrophobicContact CG2-CZ 4.32Å; I267-F278 PolarHBondContact N-O 2.82Å; I267-F278 PolarHBondContact O-N 3.31Å
268	E	98.9	Very high	98.6	Very high	41 Å²	41	44.8 Å²	44.8	19%	0.192	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	144.1	-179.8	-59.6	-174.1	-113	0	0	110.6	P170 D171 R172 T270	P170-E268 WeakPolarHBondContact CB-O 3.33Å; D171-E268 PolarHBondContact N-O 3.03Å; R172-E268 HydrophobicContact CB-CB 4.14Å; R172-E268 HydrophobicContact CG-CB 4.44Å; R172-E268 PolarHBondContact N-O 2.93Å; R172-E268 IonicContact NE-OE1 3.73Å; R172-E268 PolarHBondContact NE-OE1 3.32Å; R172-E268 PolarHBondContact O-N 3.27Å; E268-T270 HydrophobicContact CB-CG2 4.24Å
269	F	98.8	Very high	98.6	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.018	22%	0.216	C	C	.	.			trans	-112.2	77.9	174.1	-62.8	-100.3	0	0	0	108	T52 Y53 F169 P170 I267 R271 C272 I276	T52-F269 HydrophobicContact CG2-CD2 4.18Å; T52-F269 HydrophobicContact CG2-CE2 3.73Å; Y53-F269 HydrophobicContact CD1-CE1 4.03Å; Y53-F269 AromaticContact CD1-CZ 3.91Å; Y53-F269 HydrophobicContact CD1-CZ 3.91Å; Y53-F269 HydrophobicContact CD2-CZ 4.15Å; Y53-F269 HydrophobicContact CE1-CE1 4.02Å; Y53-F269 AromaticContact CE1-CZ 3.89Å; Y53-F269 HydrophobicContact CE1-CZ 3.89Å; Y53-F269 HydrophobicContact CE2-CZ 4.12Å; Y53-F269 HydrophobicContact CG-CZ 4.05Å; Y53-F269 AromaticContact CZ-CZ 3.99Å; F169-F269 HydrophobicContact CB-CD1 3.93Å; F169-F269 HydrophobicContact CB-CE1 3.94Å; F169-F269 AromaticContact CD1-CD1 3.48Å; F169-F269 HydrophobicContact CD1-CD1 3.48Å; F169-F269 VanDerWaalsContact CD1-CD1 3.48Å; F169-F269 HydrophobicContact CD1-CE1 4.07Å; F169-F269 HydrophobicContact CE1-CD1 4.3Å; F169-F269 HydrophobicContact CG-CD1 4.01Å; F169-F269 HydrophobicContact CG-CE1 4.45Å; P170-F269 HydrophobicContact CB-CD1 4.01Å; P170-F269 HydrophobicContact CB-CD2 4.37Å; P170-F269 HydrophobicContact CB-CE1 3.83Å; P170-F269 HydrophobicContact CB-CE2 4.17Å; P170-F269 HydrophobicContact CB-CG 4.29Å; P170-F269 HydrophobicContact CB-CZ 3.92Å; P170-F269 HydrophobicContact CG-CZ 4.45Å; I267-F269 HydrophobicContact CG2-CE2 4.02Å; I267-F269 HydrophobicContact CG2-CZ 4.48Å; F269-R271 PolarHBondContact O-N 3.17Å; F269-R271 VanDerWaalsContact O-N 3.15Å; F269-C272 VanDerWaalsContact CB-SG 3.58Å; F269-C272 WeakPolarHBondContact O-CB 3.21Å; F269-C272 PolarHBondContact O-N 2.99Å; F269-I276 HydrophobicContact CB-CB 4.41Å; F269-I276 HydrophobicContact CB-CG2 4.43Å; F269-I276 HydrophobicContact CD2-CG2 3.94Å; F269-I276 HydrophobicContact CG-CG2 4.39Å; F269-I276 PolarHBondContact N-O 3.03Å
270	T	98.7	Very high	98.6	Very high	72 Å²	72	45.8 Å²	45.8	44%	0.442	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-19.1	-166.3	75.9	0	0	0	0	114	D171 R172 E268 C272	D171-T270 VanDerWaalsContact CG-OG1 3.23Å; D171-T270 WeakPolarHBondContact OD1-CG2 3.35Å; D171-T270 PolarHBondContact OD1-N 3.26Å; D171-T270 PolarHBondContact OD1-OG1 2.89Å; D171-T270 PolarHBondContact OD2-N 2.58Å; D171-T270 PolarHBondContact OD2-OG1 3.12Å; R172-T270 HydrophobicContact CB-CG2 3.89Å; E268-T270 HydrophobicContact CB-CG2 4.24Å; T270-C272 VanDerWaalsContact C-N 3.3Å; T270-C272 PolarHBondContact O-N 2.89Å
271	R	98.5	Very high	98.6	Very high	125 Å²	125	46.2 Å²	46.2	47%	0.472	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-8.6	174.2	-54.8	-56.9	168.6	-169.4	-5	114.8	L63 L167 F169 D171 Y235 F269	L63-R271 HydrophobicContact CD1-CB 4.48Å; L63-R271 WeakPolarHBondContact CD1-O 3.22Å; L167-R271 HydrophobicContact CD2-CG 4.08Å; F169-R271 HydrophobicContact CZ-CB 4.38Å; D171-R271 WeakPolarHBondContact OD2-CG 3.39Å; D171-R271 PolarHBondContact OD2-N 3.28Å; D171-R271 IonicContact OD2-NE 3.18Å; Y235-R271 WeakPolarHBondContact OH-CG 3.37Å; Y235-R271 PolarHBondContact OH-NE 2.93Å; Y235-R271 VanDerWaalsContact OH-NE 3.15Å; F269-R271 PolarHBondContact O-N 3.17Å; F269-R271 VanDerWaalsContact O-N 3.15Å
272	C	98.4	Very high	98.6	Very high	13 Å²	13	46.5 Å²	46.5	9%	0.088	22%	0.221	C	C	.	.	S	Bend	trans	-71.1	146.4	177.2	-67.1	0	0	0	0	111.7	N60 F269 T270 K274 I276	N60-C272 PolarHBondContact ND2-SG 3.24Å; F269-C272 VanDerWaalsContact CB-SG 3.58Å; F269-C272 WeakPolarHBondContact O-CB 3.21Å; F269-C272 PolarHBondContact O-N 2.99Å; T270-C272 VanDerWaalsContact C-N 3.3Å; T270-C272 PolarHBondContact O-N 2.89Å; C272-K274 VanDerWaalsContact C-N 3.28Å; C272-K274 VanDerWaalsContact CB-O 3.22Å; C272-K274 WeakPolarHBondContact CB-O 3.32Å; C272-K274 PolarHBondContact O-N 3.16Å; C272-I276 HydrophobicContact CB-CB 4.17Å; C272-I276 HydrophobicContact CB-CD1 3.93Å; C272-I276 HydrophobicContact CB-CG1 4.15Å
273	H	96.6	Very high	98.6	Very high	160 Å²	160	52.9 Å²	52.9	74%	0.741	25%	0.251	S	S	*	.	S	Bend	trans	-63.7	-33.2	180	-177.7	66.1	0	0	0	113.3	N60	N60-H273 PolarHBondContact OD1-N 3.03Å
274	K	97.8	Very high	98.5	Very high	158 Å²	158	54.5 Å²	54.5	69%	0.687	26%	0.262	S	S	*	.	S	Bend	trans	-110.2	154.9	168.6	-65.6	-170.7	-177.5	-175.2	0	108.8	C272 I276	C272-K274 VanDerWaalsContact C-N 3.28Å; C272-K274 VanDerWaalsContact CB-O 3.22Å; C272-K274 WeakPolarHBondContact CB-O 3.32Å; C272-K274 PolarHBondContact O-N 3.16Å; K274-I276 PolarHBondContact O-N 2.84Å
275	R	97.5	Very high	98.5	Very high	225 Å²	225	58 Å²	58	85%	0.849	29%	0.288	S	S	*	.			trans	-55.8	115.1	171.6	-172	179.9	-175.8	-162.1	-1	109.3
276	I	98.6	Very high	98.5	Very high	21 Å²	21	64 Å²	64	11%	0.108	31%	0.311	C	S	.	.			trans	-125.9	131.8	175.5	-67.9	179	0	0	0	107.1	T52 F269 C272 K274	T52-I276 HydrophobicContact CG2-CG2 3.63Å; F269-I276 HydrophobicContact CB-CB 4.41Å; F269-I276 HydrophobicContact CB-CG2 4.43Å; F269-I276 HydrophobicContact CD2-CG2 3.94Å; F269-I276 HydrophobicContact CG-CG2 4.39Å; F269-I276 PolarHBondContact N-O 3.03Å; C272-I276 HydrophobicContact CB-CB 4.17Å; C272-I276 HydrophobicContact CB-CD1 3.93Å; C272-I276 HydrophobicContact CB-CG1 4.15Å; K274-I276 PolarHBondContact O-N 2.84Å
277	G	98.6	Very high	98.5	Very high	37 Å²	37	62.5 Å²	62.5	38%	0.381	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	171.5	172.9	-176	0	0	0	0	0	110.4	I267	I267-G277 CarbonylContact O-C 3.59Å; I267-G277 WeakPolarHBondContact O-CA 3.22Å
278	F	98.8	Very high	98.4	Very high	17 Å²	17	63.2 Å²	63.2	8%	0.075	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	164.5	175.5	65	-92.6	0	0	0	110.4	V48 T52 M141 F265 N266 I267 T280 W289	V48-F278 HydrophobicContact CG1-CB 3.66Å; V48-F278 HydrophobicContact CG1-CD2 4.37Å; V48-F278 HydrophobicContact CG1-CG 4.12Å; T52-F278 HydrophobicContact CG2-CD1 3.92Å; M141-F278 HydrophobicContact CE-CZ 3.92Å; F265-F278 HydrophobicContact CE2-CE2 4.16Å; N266-F278 WeakPolarHBondContact CA-O 3.37Å; I267-F278 HydrophobicContact CB-CD1 4.13Å; I267-F278 HydrophobicContact CB-CE1 3.7Å; I267-F278 HydrophobicContact CB-CE2 4.27Å; I267-F278 HydrophobicContact CB-CZ 3.78Å; I267-F278 HydrophobicContact CG1-CE1 4.04Å; I267-F278 HydrophobicContact CG1-CE2 3.96Å; I267-F278 HydrophobicContact CG1-CZ 3.57Å; I267-F278 HydrophobicContact CG2-CE1 3.93Å; I267-F278 HydrophobicContact CG2-CZ 4.32Å; I267-F278 PolarHBondContact N-O 2.82Å; I267-F278 PolarHBondContact O-N 3.31Å; F278-T280 HydrophobicContact CD2-CG2 4.32Å; F278-T280 HydrophobicContact CE2-CG2 4.07Å; F278-W289 HydrophobicContact CE2-CE3 4.07Å; F278-W289 HydrophobicContact CE2-CH2 4.07Å; F278-W289 AromaticContact CE2-CZ3 3.43Å; F278-W289 HydrophobicContact CE2-CZ3 3.43Å; F278-W289 VanDerWaalsContact CE2-CZ3 3.43Å; F278-W289 AromaticContact CZ-CH2 3.68Å; F278-W289 HydrophobicContact CZ-CH2 3.68Å; F278-W289 AromaticContact CZ-CZ3 3.51Å; F278-W289 HydrophobicContact CZ-CZ3 3.51Å
279	S	98.9	Very high	98.4	Very high	25 Å²	25	61.5 Å²	61.5	18%	0.175	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	145.4	175.3	179.5	0	0	0	0	109.1	N266 S281 S284	N266-S279 WeakPolarHBondContact OD1-CA 3.22Å; N266-S279 WeakPolarHBondContact OD1-CB 3.45Å; N266-S279 PolarHBondContact OD1-OG 2.88Å; S279-S281 WeakPolarHBondContact OG-CB 3.37Å; S279-S281 PolarHBondContact OG-N 3.26Å; S279-S281 VanDerWaalsContact OG-N 3.11Å; S279-S281 PolarHBondContact OG-OG 2.75Å; S279-S284 VanDerWaalsContact CB-OG 3.29Å; S279-S284 WeakPolarHBondContact CB-OG 3.4Å; S279-S284 WeakPolarHBondContact O-CB 3.49Å; S279-S284 PolarHBondContact OG-OG 2.95Å
280	T	98.9	Very high	98.4	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.006	31%	0.308	C	S	.	.			trans	-101.1	18	170	71.9	0	0	0	0	111.8	F265 F278 T287 W289 Q291	F265-T280 HydrophobicContact CD1-CG2 4.42Å; F265-T280 HydrophobicContact CD2-CG2 4.11Å; F265-T280 HydrophobicContact CE1-CG2 4.08Å; F265-T280 HydrophobicContact CE2-CG2 3.73Å; F265-T280 HydrophobicContact CG-CG2 4.45Å; F265-T280 HydrophobicContact CZ-CG2 3.72Å; F265-T280 PolarHBondContact N-OG1 2.87Å; F265-T280 PolarHBondContact O-N 2.9Å; F265-T280 PolarHBondContact O-OG1 3.2Å; F278-T280 HydrophobicContact CD2-CG2 4.32Å; F278-T280 HydrophobicContact CE2-CG2 4.07Å; T280-T287 HydrophobicContact CG2-CG2 4.28Å; T280-T287 WeakPolarHBondContact CG2-OG1 3.39Å; T280-W289 HydrophobicContact CG2-CB 4.28Å; T280-W289 HydrophobicContact CG2-CE3 4.03Å; T280-Q291 WeakPolarHBondContact O-CG 3.26Å; T280-Q291 PolarHBondContact O-NE2 3.45Å
281	S	98.8	Very high	98.4	Very high	9 Å²	9	60.8 Å²	60.8	6%	0.063	29%	0.289	C	S	.	.	S	Bend	trans	-62.1	155.6	179.4	77.6	0	0	0	0	112.1	Y264 S279 E283 S284	Y264-S281 VanDerWaalsContact CD2-CA 3.5Å; Y264-S281 VanDerWaalsContact CD2-CB 3.49Å; Y264-S281 VanDerWaalsContact CE2-CB 3.44Å; S279-S281 WeakPolarHBondContact OG-CB 3.37Å; S279-S281 PolarHBondContact OG-N 3.26Å; S279-S281 VanDerWaalsContact OG-N 3.11Å; S279-S281 PolarHBondContact OG-OG 2.75Å; S281-E283 PolarHBondContact O-N 2.92Å; S281-E283 VanDerWaalsContact O-N 3.16Å; S281-E283 PolarHBondContact OG-N 2.8Å; S281-S284 WeakPolarHBondContact O-CB 3.39Å; S281-S284 PolarHBondContact O-N 3.27Å; S281-S284 PolarHBondContact OG-N 2.94Å; S281-S284 PolarHBondContact OG-OG 2.8Å
282	P	98.8	Very high	98.4	Very high	11 Å²	11	55 Å²	55	7%	0.071	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-36.6	172.9	-29.2	37.4	0	0	0	112.9	V217 P219 L222 S284 Q291	V217-P282 HydrophobicContact CB-CB 4.21Å; V217-P282 HydrophobicContact CB-CG 4.03Å; V217-P282 HydrophobicContact CG1-CB 4.19Å; V217-P282 HydrophobicContact CG1-CG 4.08Å; P219-P282 VanDerWaalsContact CG-O 3.26Å; P219-P282 WeakPolarHBondContact CG-O 3.27Å; L222-P282 HydrophobicContact CD1-CB 4.3Å; L222-P282 HydrophobicContact CD2-CG 4.18Å; P282-S284 VanDerWaalsContact C-N 3.26Å; P282-S284 PolarHBondContact O-N 2.76Å; P282-Q291 HydrophobicContact CG-CG 3.98Å
283	E	98.5	Very high	98.4	Very high	134 Å²	134	54.5 Å²	54.5	63%	0.626	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-8.4	179.6	-64.6	177.6	115.1	0	0	114.2	P219 L222 S281	P219-E283 HydrophobicContact CB-CG 4.14Å; L222-E283 HydrophobicContact CD1-CG 3.75Å; S281-E283 PolarHBondContact O-N 2.92Å; S281-E283 VanDerWaalsContact O-N 3.16Å; S281-E283 PolarHBondContact OG-N 2.8Å
284	S	98.6	Very high	98.5	Very high	35 Å²	35	47 Å²	47	25%	0.245	23%	0.229	C	C	.	.	S	Bend	trans	-93.8	160.9	-179.5	-63	0	0	0	0	111.6	S279 S281 P282	S279-S284 VanDerWaalsContact CB-OG 3.29Å; S279-S284 WeakPolarHBondContact CB-OG 3.4Å; S279-S284 WeakPolarHBondContact O-CB 3.49Å; S279-S284 PolarHBondContact OG-OG 2.95Å; S281-S284 WeakPolarHBondContact O-CB 3.39Å; S281-S284 PolarHBondContact O-N 3.27Å; S281-S284 PolarHBondContact OG-N 2.94Å; S281-S284 PolarHBondContact OG-OG 2.8Å; P282-S284 VanDerWaalsContact C-N 3.26Å; P282-S284 PolarHBondContact O-N 2.76Å
285	P	98.6	Very high	98.6	Very high	96 Å²	96	39.6 Å²	39.6	62%	0.623	20%	0.197	S	C	*	.	P	Polyproline II helix	trans	-55.5	151.9	172.1	-24	34.7	0	0	0	112	V48	V48-P285 HydrophobicContact CG2-CB 3.97Å
286	Y	98.6	Very high	98.6	Very high	126 Å²	126	28.9 Å²	28.9	49%	0.494	16%	0.157	S	C	.	.	P	Polyproline II helix	trans	-53.1	138.6	-179.9	171	-93.4	0	0	0	112.6	V216 K290	V216-Y286 HydrophobicContact CG2-CD2 3.88Å; V216-Y286 HydrophobicContact CG2-CE2 3.95Å; Y286-K290 HydrophobicContact CE2-CG 4.06Å
287	T	98.7	Very high	98.3	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.012	17%	0.167	C	C	.	.			trans	-132.4	156.8	166.6	70.4	0	0	0	0	108.4	D46 V48 T280 W289 K290	D46-T287 VanDerWaalsContact OD2-CA 3.3Å; D46-T287 WeakPolarHBondContact OD2-CA 3.35Å; D46-T287 WeakPolarHBondContact OD2-CB 3.49Å; V48-T287 HydrophobicContact CB-CG2 4.03Å; V48-T287 HydrophobicContact CG1-CG2 3.88Å; T280-T287 HydrophobicContact CG2-CG2 4.28Å; T280-T287 WeakPolarHBondContact CG2-OG1 3.39Å; T287-W289 PolarHBondContact O-N 3.17Å; T287-K290 PolarHBondContact O-N 2.9Å
288	H	97.8	Very high	97.9	Very high	15 Å²	15	34 Å²	34	7%	0.069	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-24.3	-179.2	76.2	-76.8	0	0	0	113	E42 D46 K290	E42-H288 HydrophobicContact CG-CB 3.83Å; D46-H288 HydrophobicContact CB-CB 4.42Å; D46-H288 IonicContact OD2-CE1 3.2Å; D46-H288 IonicContact OD2-CG 2.81Å; D46-H288 PolarHBondContact OD2-N 2.87Å; D46-H288 IonicContact OD2-ND1 2.63Å; D46-H288 PolarHBondContact OD2-ND1 2.78Å; H288-K290 PolarHBondContact O-N 3.01Å
289	W	98.6	Very high	97.9	Very high	5 Å²	5	38.1 Å²	38.1	2%	0.019	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-25.1	173.4	-66.1	-71.9	0	0	0	114	R49 E139 M141 V214 F265 F278 T280 T287 Q291	R49-W289 HydrophobicContact CB-CH2 4.13Å; R49-W289 HydrophobicContact CB-CZ3 3.91Å; R49-W289 HydrophobicContact CG-CH2 3.54Å; R49-W289 HydrophobicContact CG-CZ3 3.86Å; E139-W289 HydrophobicContact CG-CH2 4.48Å; E139-W289 HydrophobicContact CG-CZ2 4.44Å; E139-W289 VanDerWaalsContact OE1-CZ2 3.3Å; E139-W289 WeakPolarHBondContact OE1-CZ2 3.31Å; M141-W289 HydrophobicContact CB-CZ2 3.86Å; M141-W289 HydrophobicContact CE-CH2 3.63Å; M141-W289 HydrophobicContact CE-CZ2 3.73Å; M141-W289 PolarHBondContact O-NE1 3.39Å; V214-W289 WeakPolarHBondContact CG1-O 3.32Å; F265-W289 HydrophobicContact CE1-CB 4.07Å; F265-W289 HydrophobicContact CE1-CD2 4.41Å; F265-W289 AromaticContact CE1-CG 3.96Å; F265-W289 HydrophobicContact CE1-CG 3.96Å; F265-W289 HydrophobicContact CE2-CD2 4.45Å; F265-W289 HydrophobicContact CZ-CB 4.09Å; F265-W289 AromaticContact CZ-CD1 3.93Å; F265-W289 AromaticContact CZ-CD2 3.6Å; F265-W289 HydrophobicContact CZ-CD2 3.6Å; F265-W289 AromaticContact CZ-CE2 3.87Å; F265-W289 HydrophobicContact CZ-CE3 4.06Å; F265-W289 AromaticContact CZ-CG 3.61Å; F265-W289 HydrophobicContact CZ-CG 3.61Å; F265-W289 HydrophobicContact CZ-CZ2 4.48Å; F278-W289 HydrophobicContact CE2-CE3 4.07Å; F278-W289 HydrophobicContact CE2-CH2 4.07Å; F278-W289 AromaticContact CE2-CZ3 3.43Å; F278-W289 HydrophobicContact CE2-CZ3 3.43Å; F278-W289 VanDerWaalsContact CE2-CZ3 3.43Å; F278-W289 AromaticContact CZ-CH2 3.68Å; F278-W289 HydrophobicContact CZ-CH2 3.68Å; F278-W289 AromaticContact CZ-CZ3 3.51Å; F278-W289 HydrophobicContact CZ-CZ3 3.51Å; T280-W289 HydrophobicContact CG2-CB 4.28Å; T280-W289 HydrophobicContact CG2-CE3 4.03Å; T287-W289 PolarHBondContact O-N 3.17Å; W289-Q291 PolarHBondContact O-N 2.91Å
290	K	98.6	Very high	97.8	Very high	50 Å²	50	37 Å²	37	22%	0.217	18%	0.184	C	C	.	.			trans	48.4	-132.5	-173.8	-47.7	176.2	-179.1	179.6	0	110.5	V214 D215 V216 Y286 T287 H288	V214-K290 HydrophobicContact CG1-CB 4.39Å; V214-K290 HydrophobicContact CG1-CD 4.46Å; D215-K290 WeakPolarHBondContact O-CB 3.4Å; D215-K290 IonicContact OD1-NZ 2.85Å; D215-K290 PolarHBondContact OD1-NZ 2.86Å; D215-K290 VanDerWaalsContact OD1-NZ 3.16Å; V216-K290 HydrophobicContact CG2-CB 4.1Å; V216-K290 HydrophobicContact CG2-CD 3.77Å; V216-K290 HydrophobicContact CG2-CG 3.73Å; Y286-K290 HydrophobicContact CE2-CG 4.06Å; T287-K290 PolarHBondContact O-N 2.9Å; H288-K290 PolarHBondContact O-N 3.01Å
291	Q	98.8	Very high	97.8	Very high	12 Å²	12	38.3 Å²	38.3	6%	0.056	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	163.5	171.9	-60.6	80.9	47	0	0	110.9	V214 D215 V217 V262 T280 P282 W289	V214-Q291 WeakPolarHBondContact CA-O 3.39Å; D215-Q291 PolarHBondContact N-O 2.9Å; D215-Q291 VanDerWaalsContact N-O 3.1Å; D215-Q291 PolarHBondContact O-N 2.82Å; D215-Q291 VanDerWaalsContact O-N 3.13Å; D215-Q291 PolarHBondContact O-OE1 2.86Å; V217-Q291 HydrophobicContact CG2-CB 4.22Å; V262-Q291 HydrophobicContact CG1-CB 3.58Å; V262-Q291 HydrophobicContact CG1-CG 4.11Å; T280-Q291 WeakPolarHBondContact O-CG 3.26Å; T280-Q291 PolarHBondContact O-NE2 3.45Å; P282-Q291 HydrophobicContact CG-CG 3.98Å; W289-Q291 PolarHBondContact O-N 2.91Å
292	T	98.8	Very high	97.8	Very high	2 Å²	2	38 Å²	38	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	122	175.8	-54.9	0	0	0	0	110.2	C144 P212 L213 V262 T263 F294 M347	C144-T292 HydrophobicContact CB-CG2 4.18Å; C144-T292 PolarHBondContact N-OG1 2.63Å; P212-T292 HydrophobicContact CB-CG2 3.54Å; L213-T292 CarbonylContact O-C 3.3Å; L213-T292 WeakPolarHBondContact O-CA 3.42Å; V262-T292 CarbonylContact C-O 3.57Å; V262-T292 VanDerWaalsContact CA-O 3.31Å; V262-T292 WeakPolarHBondContact CA-O 3.39Å; T263-T292 PolarHBondContact N-O 3.17Å; T263-T292 PolarHBondContact O-N 2.89Å; T263-T292 WeakPolarHBondContact OG1-CB 3.31Å; T292-F294 HydrophobicContact CG2-CD2 4.27Å; T292-F294 HydrophobicContact CG2-CE2 3.5Å; T292-F294 HydrophobicContact CG2-CZ 3.69Å; T292-M347 HydrophobicContact CG2-CE 3.33Å
293	V	98.8	Very high	97.8	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.024	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	123	-173.5	-173.4	0	0	0	0	110.2	I180 P212 L213 V217 A260 V262 Y295	I180-V293 HydrophobicContact CD1-CG1 4.38Å; P212-V293 CarbonylContact C-O 3.52Å; P212-V293 VanDerWaalsContact CA-O 3.28Å; P212-V293 WeakPolarHBondContact CA-O 3.37Å; L213-V293 HydrophobicContact CB-CB 4.34Å; L213-V293 PolarHBondContact N-O 2.81Å; L213-V293 PolarHBondContact O-N 3.44Å; V217-V293 HydrophobicContact CG2-CG2 3.86Å; A260-V293 HydrophobicContact CB-CG1 3.52Å; V262-V293 HydrophobicContact CG2-CG1 4.49Å; V262-V293 HydrophobicContact CG2-CG2 4.29Å; V293-Y295 HydrophobicContact CG1-CE1 4.3Å
294	F	98.8	Very high	97.8	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	96.4	178.1	-61.6	-97.6	0	0	0	108.8	P212 A260 L261 T263 T292 L296 F326 Y345	P212-F294 HydrophobicContact CB-CD1 4.06Å; P212-F294 HydrophobicContact CB-CE1 3.88Å; P212-F294 HydrophobicContact CB-CZ 4.17Å; P212-F294 HydrophobicContact CG-CD1 3.78Å; P212-F294 HydrophobicContact CG-CE1 3.47Å; P212-F294 VanDerWaalsContact CG-CE1 3.47Å; P212-F294 HydrophobicContact CG-CZ 4.15Å; A260-F294 CarbonylContact C-O 3.55Å; A260-F294 VanDerWaalsContact CA-O 3.22Å; A260-F294 WeakPolarHBondContact CA-O 3.2Å; A260-F294 WeakPolarHBondContact CB-O 3.48Å; L261-F294 HydrophobicContact CB-CB 4.4Å; L261-F294 PolarHBondContact N-O 2.94Å; L261-F294 PolarHBondContact O-N 2.97Å; T263-F294 HydrophobicContact CG2-CD2 4.23Å; T263-F294 HydrophobicContact CG2-CE2 3.66Å; T292-F294 HydrophobicContact CG2-CD2 4.27Å; T292-F294 HydrophobicContact CG2-CE2 3.5Å; T292-F294 HydrophobicContact CG2-CZ 3.69Å; F294-L296 PolarHBondContact O-N 3.49Å; F294-F326 HydrophobicContact CE1-CB 4.35Å; F294-F326 HydrophobicContact CE1-CD1 4.06Å; F294-F326 HydrophobicContact CE1-CD2 4.1Å; F294-F326 HydrophobicContact CE1-CE1 4.35Å; F294-F326 HydrophobicContact CE1-CE2 4.4Å; F294-F326 AromaticContact CE1-CG 3.91Å; F294-F326 HydrophobicContact CE1-CG 3.91Å; F294-F326 HydrophobicContact CZ-CD1 4.18Å; F294-F326 HydrophobicContact CZ-CE1 4.1Å; F294-F326 HydrophobicContact CZ-CG 4.46Å; F294-F326 HydrophobicContact CZ-CZ 4.31Å; F294-Y345 HydrophobicContact CB-CE1 4.24Å; F294-Y345 HydrophobicContact CB-CE2 4.38Å; F294-Y345 HydrophobicContact CD1-CD1 4.11Å; F294-Y345 AromaticContact CD1-CD2 3.81Å; F294-Y345 HydrophobicContact CD1-CD2 3.81Å; F294-Y345 HydrophobicContact CD1-CE1 4.4Å; F294-Y345 HydrophobicContact CD1-CE2 4.1Å; F294-Y345 AromaticContact CD1-CG 3.81Å; F294-Y345 HydrophobicContact CD1-CG 3.81Å; F294-Y345 HydrophobicContact CE1-CD2 4.48Å; F294-Y345 HydrophobicContact CE1-CG 4.41Å
295	Y	98.6	Very high	97.8	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	135.4	177.8	-74.8	-62.8	0	0	0	111.2	D182 K186 I190 L213 A260 V293 Y345	D182-Y295 HydrophobicContact CB-CE1 4.34Å; D182-Y295 PolarHBondContact OD2-OH 2.79Å; K186-Y295 HydrophobicContact CB-CD1 4.05Å; K186-Y295 HydrophobicContact CB-CE1 3.57Å; K186-Y295 HydrophobicContact CD-CD1 3.85Å; K186-Y295 HydrophobicContact CD-CE1 4.26Å; K186-Y295 HydrophobicContact CD-CG 4.5Å; K186-Y295 HydrophobicContact CG-CD1 3.78Å; K186-Y295 HydrophobicContact CG-CE1 3.83Å; K186-Y295 HydrophobicContact CG-CG 4.33Å; K186-Y295 PolarHBondContact N-OH 3.14Å; I190-Y295 HydrophobicContact CD1-CD2 4.09Å; I190-Y295 HydrophobicContact CD1-CE2 4.36Å; I190-Y295 HydrophobicContact CG1-CD2 3.82Å; I190-Y295 HydrophobicContact CG1-CE2 3.98Å; I190-Y295 HydrophobicContact CG1-CG 4.41Å; L213-Y295 HydrophobicContact CD1-CD2 3.76Å; L213-Y295 HydrophobicContact CD1-CE2 3.59Å; L213-Y295 HydrophobicContact CD2-CE2 4.01Å; L213-Y295 HydrophobicContact CG-CE2 4.37Å; A260-Y295 HydrophobicContact CB-CD1 3.77Å; A260-Y295 HydrophobicContact CB-CE1 4.2Å; A260-Y295 HydrophobicContact CB-CG 4.47Å; V293-Y295 HydrophobicContact CG1-CE1 4.3Å; Y295-Y345 WeakPolarHBondContact O-CE1 3.25Å; Y295-Y345 PolarHBondContact O-OH 3.31Å
296	L	97.9	Very high	97.8	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	152.4	167	-57.6	178.3	0	0	0	109.1	K186 I258 H259 F294 D298 L300 V330 M339 L343	K186-L296 WeakPolarHBondContact CE-O 3.4Å; K186-L296 PolarHBondContact NZ-O 2.96Å; I258-L296 HydrophobicContact CG2-CD1 4.26Å; H259-L296 PolarHBondContact O-N 2.99Å; F294-L296 PolarHBondContact O-N 3.49Å; L296-D298 CarbonylContact C-O 3.56Å; L296-D298 WeakPolarHBondContact CB-O 3.08Å; L296-L300 HydrophobicContact CD1-CD1 4.38Å; L296-L300 HydrophobicContact CD1-CG 4.15Å; L296-V330 HydrophobicContact CD2-CG2 4.21Å; L296-M339 HydrophobicContact CD1-CE 4.25Å; L296-M339 HydrophobicContact CD2-CE 4.47Å; L296-L343 HydrophobicContact CB-CD1 4.48Å; L296-L343 HydrophobicContact CD2-CD1 3.45Å; L296-L343 VanDerWaalsContact CD2-CD1 3.45Å
297	D	92.6	Very high	97.8	Very high	60 Å²	60	33.5 Å²	33.5	32%	0.321	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	-54.1	174.3	-73.6	-17.4	0	0	0	110.7	K186 K341 L343	K186-D297 PolarHBondContact NZ-O 2.66Å; D297-K341 WeakPolarHBondContact OD2-CE 2.95Å; D297-K341 IonicContact OD2-NZ 3.99Å; D297-K341 PolarHBondContact OD2-NZ 2.92Å; D297-L343 HydrophobicContact CB-CD2 4.36Å; D297-L343 WeakPolarHBondContact OD2-CD2 3.31Å
298	D	90.3	Very high	97.8	Very high	106 Å²	106	33.4 Å²	33.4	57%	0.567	18%	0.176	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	-170.6	171.5	-71.1	-56.4	0	0	0	110.8	L296	L296-D298 CarbonylContact C-O 3.56Å; L296-D298 WeakPolarHBondContact CB-O 3.08Å
299	Y	97.2	Very high	97.9	Very high	102 Å²	102	37.1 Å²	37.1	40%	0.4	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	152.5	174.7	58.1	-91.8	0	0	0	110	Y257 I258	Y257-Y299 AromaticContact CD1-CD2 3.62Å; Y257-Y299 HydrophobicContact CD1-CD2 3.62Å; Y257-Y299 AromaticContact CD1-CE2 3.73Å; Y257-Y299 HydrophobicContact CD1-CE2 3.73Å; Y257-Y299 HydrophobicContact CE1-CD2 4.25Å; Y257-Y299 AromaticContact CE1-CE2 3.88Å; Y257-Y299 HydrophobicContact CE1-CE2 3.88Å; Y257-Y299 HydrophobicContact CG-CD2 4.44Å; I258-Y299 CarbonylContact O-C 3.6Å; I258-Y299 WeakPolarHBondContact O-CA 3.24Å; I258-Y299 WeakPolarHBondContact O-CB 3.32Å
300	L	98.5	Very high	97.8	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	139.8	172.9	-54.4	177	0	0	0	109.7	Y257 I258 L296 V302 I308 F332 M339	Y257-L300 CarbonylContact C-O 3.56Å; Y257-L300 VanDerWaalsContact CA-O 3.25Å; Y257-L300 WeakPolarHBondContact CA-O 3.19Å; I258-L300 HydrophobicContact CB-CB 4.18Å; I258-L300 PolarHBondContact N-O 2.83Å; I258-L300 PolarHBondContact O-N 2.64Å; L296-L300 HydrophobicContact CD1-CD1 4.38Å; L296-L300 HydrophobicContact CD1-CG 4.15Å; L300-V302 HydrophobicContact CB-CG1 3.78Å; L300-I308 HydrophobicContact CD1-CD1 4.06Å; L300-I308 HydrophobicContact CD1-CG1 4.23Å; L300-I308 HydrophobicContact CD1-CG2 4.41Å; L300-F332 HydrophobicContact CB-CD1 4.39Å; L300-F332 HydrophobicContact CD1-CB 4.05Å; L300-F332 HydrophobicContact CD1-CD1 4.33Å; L300-F332 HydrophobicContact CD1-CG 4.07Å; L300-F332 HydrophobicContact CD2-CB 4.23Å; L300-F332 HydrophobicContact CD2-CD1 3.95Å; L300-F332 HydrophobicContact CD2-CG 4.34Å; L300-F332 HydrophobicContact CG-CD1 4.47Å; L300-M339 HydrophobicContact CD1-CE 4.32Å; L300-M339 HydrophobicContact CD2-CB 3.61Å; L300-M339 HydrophobicContact CD2-CE 3.64Å; L300-M339 HydrophobicContact CD2-CG 4.23Å; L300-M339 HydrophobicContact CD2-SD 3.61Å; L300-M339 HydrophobicContact CG-CE 4.23Å
301	T	98.7	Very high	97.9	Very high	30 Å²	30	36.9 Å²	36.9	18%	0.184	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	111.2	168.4	-54	0	0	0	0	108.1	Y257 L336	Y257-T301 HydrophobicContact CD1-CG2 4.22Å; Y257-T301 HydrophobicContact CE1-CG2 3.79Å; Y257-T301 WeakPolarHBondContact CE1-OG1 3.3Å; T301-L336 HydrophobicContact CG2-CB 3.91Å; T301-L336 HydrophobicContact CG2-CD1 3.78Å
302	V	98.7	Very high	97.8	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	153.7	-167.1	-56.1	0	0	0	0	113.1	V223 V252 N255 D256 I258 L300 F332	V223-V302 HydrophobicContact CG1-CG2 3.82Å; V252-V302 HydrophobicContact CG1-CB 4.01Å; V252-V302 HydrophobicContact CG1-CG2 3.58Å; V252-V302 HydrophobicContact CG2-CB 3.91Å; V252-V302 HydrophobicContact CG2-CG1 4.29Å; V252-V302 HydrophobicContact CG2-CG2 4.06Å; N255-V302 WeakPolarHBondContact CA-O 3.37Å; D256-V302 PolarHBondContact N-O 2.78Å; D256-V302 VanDerWaalsContact N-O 3.17Å; D256-V302 VanDerWaalsContact O-CG2 3.31Å; D256-V302 WeakPolarHBondContact O-CG2 3.37Å; D256-V302 PolarHBondContact O-N 3.39Å; I258-V302 HydrophobicContact CD1-CB 4.49Å; I258-V302 HydrophobicContact CD1-CG1 3.83Å; I258-V302 HydrophobicContact CD1-CG2 3.91Å; I258-V302 HydrophobicContact CG1-CG1 4.39Å; I258-V302 HydrophobicContact CG1-CG2 4.13Å; L300-V302 HydrophobicContact CB-CG1 3.78Å; V302-F332 HydrophobicContact CB-CZ 4.14Å; V302-F332 HydrophobicContact CG1-CE1 4.05Å; V302-F332 HydrophobicContact CG1-CE2 3.9Å; V302-F332 HydrophobicContact CG1-CZ 3.56Å
303	K	98.7	Very high	97.8	Very high	66 Å²	66	37.4 Å²	37.4	29%	0.287	20%	0.203	S	C	.	.			trans	-119.5	150.6	172.6	-63.2	-179.4	68.8	177.3	0	111.2	V252 N255 G305 E306 Q335 L336	V252-K303 WeakPolarHBondContact CB-O 3.35Å; V252-K303 VanDerWaalsContact CG1-O 3.24Å; V252-K303 WeakPolarHBondContact CG1-O 3.47Å; N255-K303 VanDerWaalsContact OD1-CA 3.28Å; N255-K303 WeakPolarHBondContact OD1-CA 3.43Å; K303-G305 PolarHBondContact O-N 2.89Å; K303-E306 HydrophobicContact CB-CG 4.26Å; K303-E306 PolarHBondContact N-OE2 3.08Å; K303-E306 WeakPolarHBondContact O-CB 3.49Å; K303-E306 WeakPolarHBondContact O-CG 3.25Å; K303-E306 PolarHBondContact O-N 2.94Å; K303-E306 VanDerWaalsContact O-N 3.1Å; K303-Q335 HydrophobicContact CD-CB 4.26Å; K303-L336 HydrophobicContact CD-CD1 4.12Å; K303-L336 HydrophobicContact CD-CG 4.32Å; K303-L336 HydrophobicContact CG-CD1 4.15Å
304	T	98.7	Very high	97.8	Very high	82 Å²	82	37.5 Å²	37.5	50%	0.503	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	131.7	176.5	-61.4	0	0	0	0	111.5	K253 R254 N255 E306	K253-T304 WeakPolarHBondContact O-CG2 3.42Å; K253-T304 PolarHBondContact O-OG1 2.91Å; R254-T304 WeakPolarHBondContact CA-OG1 3.5Å; N255-T304 PolarHBondContact N-OG1 2.83Å; N255-T304 PolarHBondContact OD1-N 3.18Å; N255-T304 PolarHBondContact OD1-OG1 2.81Å; T304-E306 VanDerWaalsContact C-N 3.32Å
305	G	98.4	Very high	97.7	Very high	44 Å²	44	42.5 Å²	42.5	45%	0.454	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	-10.1	178.7	0	0	0	0	0	114.8	V252 K303	V252-G305 PolarHBondContact O-N 2.67Å; K303-G305 PolarHBondContact O-N 2.89Å
306	E	98.7	Very high	97.6	Very high	27 Å²	27	44.2 Å²	44.2	13%	0.126	24%	0.236	C	C	.	.			trans	-70.9	159.9	169.2	-62.3	179.3	151.6	0	0	110.7	V252 K303 T304 F332 G334 Q335	V252-E306 WeakPolarHBondContact CB-O 3.33Å; V252-E306 HydrophobicContact CG2-CB 4.42Å; V252-E306 VanDerWaalsContact CG2-O 3.3Å; V252-E306 WeakPolarHBondContact CG2-O 3.2Å; V252-E306 PolarHBondContact N-O 3.01Å; K303-E306 HydrophobicContact CB-CG 4.26Å; K303-E306 PolarHBondContact N-OE2 3.08Å; K303-E306 WeakPolarHBondContact O-CB 3.49Å; K303-E306 WeakPolarHBondContact O-CG 3.25Å; K303-E306 PolarHBondContact O-N 2.94Å; K303-E306 VanDerWaalsContact O-N 3.1Å; T304-E306 VanDerWaalsContact C-N 3.32Å; E306-F332 HydrophobicContact CB-CE2 3.97Å; E306-F332 HydrophobicContact CB-CZ 4.39Å; E306-F332 WeakPolarHBondContact OE2-CZ 3.27Å; E306-G334 WeakPolarHBondContact OE1-CA 3.08Å; E306-Q335 WeakPolarHBondContact OE1-CG 3.39Å; E306-Q335 PolarHBondContact OE1-N 3.03Å
307	E	98.6	Very high	97.5	Very high	88 Å²	88	45.2 Å²	45.2	41%	0.411	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.8	-172.9	-65.7	-178.4	139.2	0	0	110.9	L250 F309 F332	L250-E307 WeakPolarHBondContact O-CA 3.26Å; E307-F309 HydrophobicContact CB-CD2 4.31Å; E307-F309 HydrophobicContact CB-CE2 3.5Å; E307-F309 HydrophobicContact CB-CZ 3.72Å; E307-F309 HydrophobicContact CG-CZ 4.44Å; E307-F309 VanDerWaalsContact OE2-CZ 3.27Å; E307-F309 WeakPolarHBondContact OE2-CZ 3.03Å; E307-F332 WeakPolarHBondContact O-CD2 3.4Å
308	I	98.7	Very high	97.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.4	174.2	-53	161.2	0	0	0	107	A179 T224 F248 C249 L250 V252 I258 L300 V330 F332	A179-I308 HydrophobicContact CB-CD1 4.49Å; T224-I308 HydrophobicContact CG2-CD1 4.14Å; F248-I308 HydrophobicContact CE2-CG2 4.33Å; C249-I308 CarbonylContact C-O 3.26Å; C249-I308 WeakPolarHBondContact CA-O 3.44Å; L250-I308 HydrophobicContact CB-CB 4.34Å; L250-I308 PolarHBondContact N-O 3.42Å; L250-I308 PolarHBondContact O-N 2.89Å; V252-I308 HydrophobicContact CG2-CD1 4.43Å; I258-I308 HydrophobicContact CD1-CD1 3.33Å; L300-I308 HydrophobicContact CD1-CD1 4.06Å; L300-I308 HydrophobicContact CD1-CG1 4.23Å; L300-I308 HydrophobicContact CD1-CG2 4.41Å; I308-V330 HydrophobicContact CG2-CG1 3.68Å; I308-F332 HydrophobicContact CB-CD2 4.48Å; I308-F332 HydrophobicContact CG1-CD2 3.66Å; I308-F332 HydrophobicContact CG1-CE2 4.23Å; I308-F332 HydrophobicContact CG1-CG 4.42Å
309	F	98.4	Very high	97.6	Very high	93 Å²	93	53.2 Å²	53.2	41%	0.408	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	160	178.1	-62.2	-86	0	0	0	110.2	F248 C249 E307 D331	F248-F309 WeakPolarHBondContact O-CA 3.36Å; C249-F309 HydrophobicContact CB-CD1 3.86Å; C249-F309 HydrophobicContact CB-CE1 3.83Å; C249-F309 WeakPolarHBondContact SG-CE1 3.45Å; E307-F309 HydrophobicContact CB-CD2 4.31Å; E307-F309 HydrophobicContact CB-CE2 3.5Å; E307-F309 HydrophobicContact CB-CZ 3.72Å; E307-F309 HydrophobicContact CG-CZ 4.44Å; E307-F309 VanDerWaalsContact OE2-CZ 3.27Å; E307-F309 WeakPolarHBondContact OE2-CZ 3.03Å; F309-D331 PolarHBondContact N-O 2.86Å; F309-D331 PolarHBondContact O-N 3.1Å
310	G	98.3	Very high	97.3	Very high	14 Å²	14	51.6 Å²	51.6	14%	0.144	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.9	-174.4	177.4	0	0	0	0	0	113.7	P247 F248 D329	P247-G310 CarbonylContact C-O 3.49Å; P247-G310 VanDerWaalsContact CA-O 3.28Å; P247-G310 WeakPolarHBondContact CA-O 3.39Å; F248-G310 PolarHBondContact N-O 3.18Å; F248-G310 PolarHBondContact O-N 3.33Å; G310-D329 CarbonylContact C-O 3.48Å; G310-D329 WeakPolarHBondContact CA-O 3.47Å
311	T	98.8	Very high	96.9	Very high	36 Å²	36	56.6 Å²	56.6	22%	0.221	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	145.1	167.9	83.4	0	0	0	0	110.2	T245 S246 V328 D329	T245-T311 HydrophobicContact CG2-CG2 4.35Å; S246-T311 CarbonylContact O-C 3.55Å; S246-T311 VanDerWaalsContact O-CA 3.26Å; S246-T311 WeakPolarHBondContact O-CA 3.21Å; T311-V328 CarbonylContact O-C 3.54Å; T311-V328 WeakPolarHBondContact O-CA 3.34Å; T311-D329 PolarHBondContact N-O 2.88Å; T311-D329 PolarHBondContact O-N 2.75Å; T311-D329 PolarHBondContact OG1-OD2 3.36Å
312	L	98.8	Very high	96.6	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	117.5	168.6	-172.7	153.9	0	0	0	107.9	I229 T245 S246 F248 T263 M314 F326 V328	I229-L312 HydrophobicContact CD1-CB 4.46Å; I229-L312 HydrophobicContact CD1-CD1 3.86Å; I229-L312 HydrophobicContact CD1-CD2 4.15Å; I229-L312 HydrophobicContact CD1-CG 4.38Å; T245-L312 WeakPolarHBondContact CA-O 3.12Å; S246-L312 PolarHBondContact N-O 3.33Å; S246-L312 PolarHBondContact O-N 3.21Å; F248-L312 HydrophobicContact CD1-CB 4.47Å; T263-L312 HydrophobicContact CG2-CD1 4.08Å; L312-M314 HydrophobicContact CD2-CB 4.3Å; L312-F326 HydrophobicContact CD2-CD1 4.35Å; L312-V328 HydrophobicContact CD1-CG2 4.38Å; L312-V328 HydrophobicContact CG-CG2 4.25Å
313	S	98.7	Very high	96.4	Very high	24 Å²	24	62.8 Å²	62.8	17%	0.168	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	139.2	173.5	-55.6	0	0	0	0	110.3	F244 T245 F326 A327	F244-S313 CarbonylContact O-C 3.58Å; F244-S313 VanDerWaalsContact O-CA 3.24Å; F244-S313 WeakPolarHBondContact O-CA 3.49Å; T245-S313 WeakPolarHBondContact CB-OG 3.36Å; T245-S313 WeakPolarHBondContact CG2-OG 3.29Å; T245-S313 WeakPolarHBondContact OG1-CB 3.42Å; T245-S313 PolarHBondContact OG1-OG 3.48Å; S313-F326 VanDerWaalsContact O-CA 3.26Å; S313-F326 WeakPolarHBondContact O-CA 3.36Å; S313-A327 PolarHBondContact N-O 2.81Å; S313-A327 PolarHBondContact O-N 2.9Å
314	M	98	Very high	96.3	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.025	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	136.4	179.2	-175.7	-176.5	74.5	0	0	110.2	F146 T243 F244 L312 L324 F326	F146-M314 HydrophobicContact CB-CE 3.73Å; F146-M314 HydrophobicContact CB-SD 4.11Å; F146-M314 HydrophobicContact CD1-CE 4.39Å; F146-M314 HydrophobicContact CD2-CE 3.1Å; F146-M314 HydrophobicContact CD2-SD 3.77Å; F146-M314 HydrophobicContact CE2-CE 3.68Å; F146-M314 HydrophobicContact CG-CE 3.49Å; F146-M314 VanDerWaalsContact CG-CE 3.49Å; F146-M314 HydrophobicContact CG-SD 4.31Å; T243-M314 WeakPolarHBondContact CA-O 3.43Å; F244-M314 HydrophobicContact CD1-CE 4.19Å; F244-M314 HydrophobicContact CE1-CE 3.29Å; F244-M314 HydrophobicContact CZ-CB 4.36Å; F244-M314 HydrophobicContact CZ-CE 3.74Å; F244-M314 PolarHBondContact N-O 3.34Å; F244-M314 VanDerWaalsContact N-O 3.08Å; F244-M314 PolarHBondContact O-N 2.96Å; L312-M314 HydrophobicContact CD2-CB 4.3Å; M314-L324 HydrophobicContact CG-CD1 4.5Å; M314-L324 HydrophobicContact CG-CD2 4.3Å; M314-L324 HydrophobicContact SD-CD1 4Å; M314-L324 HydrophobicContact SD-CD2 4.49Å; M314-F326 HydrophobicContact CB-CD1 4.02Å; M314-F326 HydrophobicContact CB-CE1 4.15Å; M314-F326 HydrophobicContact CG-CD1 3.87Å; M314-F326 HydrophobicContact CG-CE1 3.56Å; M314-F326 HydrophobicContact CG-CZ 4.23Å; M314-F326 HydrophobicContact SD-CD1 4.42Å; M314-F326 HydrophobicContact SD-CE1 3.61Å; M314-F326 HydrophobicContact SD-CZ 4.2Å
315	K	97.4	Very high	96.3	Very high	106 Å²	106	57 Å²	57	46%	0.461	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	154	175.7	65.9	-173.5	178.2	-174.2	0	111.4	T243 D325	T243-K315 HydrophobicContact CG2-CB 3.74Å; K315-D325 HydrophobicContact CG-CB 4Å; K315-D325 PolarHBondContact N-O 2.71Å; K315-D325 PolarHBondContact O-N 2.8Å
316	P	96.1	Very high	96.3	Very high	39 Å²	39	55.3 Å²	55.3	25%	0.253	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	144.1	168.6	-21.2	33.1	0	0	0	111.6	T243 N321	T243-P316 WeakPolarHBondContact OG1-CD 3.24Å; P316-N321 HydrophobicContact CB-CB 4.42Å
317	N	95.3	Very high	96.3	Very high	22 Å²	22	55.2 Å²	55.2	12%	0.118	28%	0.28	C	S	.	.			trans	-69.5	138.5	174.7	-174.2	-81.5	0	0	0	111	K319 N320 N321 D323 D325	N317-K319 VanDerWaalsContact C-N 3.28Å; N317-K319 PolarHBondContact O-N 3.06Å; N317-K319 WeakPolarHBondContact OD1-CB 3.28Å; N317-K319 PolarHBondContact OD1-N 3.17Å; N317-N320 WeakPolarHBondContact CB-O 3.4Å; N317-N320 CarbonylContact O-C 3.53Å; N317-N320 VanDerWaalsContact O-C 3.26Å; N317-N320 PolarHBondContact O-N 2.82Å; N317-N320 PolarHBondContact OD1-N 3.03Å; N317-N321 PolarHBondContact O-N 2.9Å; N317-N321 PolarHBondContact O-OD1 2.9Å; N317-D323 HydrophobicContact CB-CB 3.75Å; N317-D323 PolarHBondContact N-O 2.79Å; N317-D325 PolarHBondContact ND2-OD1 3.37Å; N317-D325 PolarHBondContact ND2-OD2 2.85Å
318	V	92.4	Very high	96.3	Very high	129 Å²	129	51.1 Å²	51.1	78%	0.782	26%	0.26	S	S	*	.	S	Bend	trans	-64.4	-28.4	-176.1	-179	0	0	0	0	113.4
319	K	92.3	Very high	96.3	Very high	205 Å²	205	53.8 Å²	53.8	89%	0.891	28%	0.275	S	S	*	.	S	Bend	trans	-87.2	-35.5	-179.7	-64.4	-175.4	178.9	-178	0	112.4	N317	N317-K319 VanDerWaalsContact C-N 3.28Å; N317-K319 PolarHBondContact O-N 3.06Å; N317-K319 WeakPolarHBondContact OD1-CB 3.28Å; N317-K319 PolarHBondContact OD1-N 3.17Å
320	N	91.8	Very high	96.3	Very high	68 Å²	68	49.5 Å²	49.5	36%	0.364	26%	0.256	S	S	.	.			trans	-141.3	106.4	179.3	179.6	12.9	0	0	0	109.5	N317 R322 D323	N317-N320 WeakPolarHBondContact CB-O 3.4Å; N317-N320 CarbonylContact O-C 3.53Å; N317-N320 VanDerWaalsContact O-C 3.26Å; N317-N320 PolarHBondContact O-N 2.82Å; N317-N320 PolarHBondContact OD1-N 3.03Å; N320-R322 PolarHBondContact O-N 2.59Å; N320-R322 PolarHBondContact OD1-N 2.86Å; N320-D323 PolarHBondContact ND2-OD1 2.9Å; N320-D323 PolarHBondContact ND2-OD2 2.62Å; N320-D323 PolarHBondContact O-N 2.83Å
321	N	90.5	Very high	96.3	Very high	107 Å²	107	51.4 Å²	51.4	57%	0.572	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-8	-175.8	-62.9	-17	0	0	0	114	S149 P316 N317	S149-N321 WeakPolarHBondContact CB-O 3.41Å; S149-N321 PolarHBondContact OG-O 2.71Å; P316-N321 HydrophobicContact CB-CB 4.42Å; N317-N321 PolarHBondContact O-N 2.9Å; N317-N321 PolarHBondContact O-OD1 2.9Å
322	R	90.8	Very high	96.3	Very high	134 Å²	134	49.8 Å²	49.8	51%	0.506	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-25.1	171.5	-68.2	-175.6	170.1	-98.3	-2.6	112.9	E148 N320	E148-R322 WeakPolarHBondContact CA-O 3.48Å; E148-R322 PolarHBondContact N-O 2.89Å; E148-R322 VanDerWaalsContact N-O 3.14Å; N320-R322 PolarHBondContact O-N 2.59Å; N320-R322 PolarHBondContact OD1-N 2.86Å
323	D	95	Very high	96.2	Very high	28 Å²	28	58.4 Å²	58.4	15%	0.15	29%	0.285	C	S	.	.	S	Bend	trans	-83.8	156.2	177.3	-53.6	-8.7	0	0	0	109.7	N317 N320 M347 R348	N317-D323 HydrophobicContact CB-CB 3.75Å; N317-D323 PolarHBondContact N-O 2.79Å; N320-D323 PolarHBondContact ND2-OD1 2.9Å; N320-D323 PolarHBondContact ND2-OD2 2.62Å; N320-D323 PolarHBondContact O-N 2.83Å; D323-M347 WeakPolarHBondContact CA-O 3.47Å; D323-M347 WeakPolarHBondContact CB-O 3.28Å; D323-R348 HydrophobicContact CB-CB 4.41Å
324	L	97.2	Very high	96.1	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.016	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.7	179.2	-66.1	176.5	0	0	0	111.6	F146 M314 F326 K346 M347	F146-L324 HydrophobicContact CB-CD1 4.2Å; M314-L324 HydrophobicContact CG-CD1 4.5Å; M314-L324 HydrophobicContact CG-CD2 4.3Å; M314-L324 HydrophobicContact SD-CD1 4Å; M314-L324 HydrophobicContact SD-CD2 4.49Å; L324-F326 HydrophobicContact CB-CD2 4.3Å; L324-F326 HydrophobicContact CB-CE2 3.48Å; L324-F326 VanDerWaalsContact CB-CE2 3.48Å; L324-F326 HydrophobicContact CB-CZ 3.68Å; L324-F326 HydrophobicContact CD1-CE2 4.32Å; L324-F326 HydrophobicContact CD1-CZ 3.7Å; L324-F326 HydrophobicContact CG-CZ 4.36Å; L324-K346 WeakPolarHBondContact O-CA 3.3Å; L324-M347 HydrophobicContact CB-CB 4.43Å; L324-M347 PolarHBondContact N-O 2.84Å; L324-M347 PolarHBondContact O-N 2.9Å
325	D	98.3	Very high	96.1	Very high	25 Å²	25	64.3 Å²	64.3	13%	0.134	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	131.9	167.6	-67.3	-29.4	0	0	0	109.2	K315 N317	K315-D325 HydrophobicContact CG-CB 4Å; K315-D325 PolarHBondContact N-O 2.71Å; K315-D325 PolarHBondContact O-N 2.8Å; N317-D325 PolarHBondContact ND2-OD1 3.37Å; N317-D325 PolarHBondContact ND2-OD2 2.85Å
326	F	98.6	Very high	96.1	Very high	7 Å²	7	64.7 Å²	64.7	3%	0.031	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	145.7	176.8	-55	-97.6	0	0	0	111.1	C144 F294 L312 S313 M314 L324 E344 Y345 M347	C144-F326 HydrophobicContact CB-CZ 4.47Å; F294-F326 HydrophobicContact CE1-CB 4.35Å; F294-F326 HydrophobicContact CE1-CD1 4.06Å; F294-F326 HydrophobicContact CE1-CD2 4.1Å; F294-F326 HydrophobicContact CE1-CE1 4.35Å; F294-F326 HydrophobicContact CE1-CE2 4.4Å; F294-F326 AromaticContact CE1-CG 3.91Å; F294-F326 HydrophobicContact CE1-CG 3.91Å; F294-F326 HydrophobicContact CZ-CD1 4.18Å; F294-F326 HydrophobicContact CZ-CE1 4.1Å; F294-F326 HydrophobicContact CZ-CG 4.46Å; F294-F326 HydrophobicContact CZ-CZ 4.31Å; L312-F326 HydrophobicContact CD2-CD1 4.35Å; S313-F326 VanDerWaalsContact O-CA 3.26Å; S313-F326 WeakPolarHBondContact O-CA 3.36Å; M314-F326 HydrophobicContact CB-CD1 4.02Å; M314-F326 HydrophobicContact CB-CE1 4.15Å; M314-F326 HydrophobicContact CG-CD1 3.87Å; M314-F326 HydrophobicContact CG-CE1 3.56Å; M314-F326 HydrophobicContact CG-CZ 4.23Å; M314-F326 HydrophobicContact SD-CD1 4.42Å; M314-F326 HydrophobicContact SD-CE1 3.61Å; M314-F326 HydrophobicContact SD-CZ 4.2Å; L324-F326 HydrophobicContact CB-CD2 4.3Å; L324-F326 HydrophobicContact CB-CE2 3.48Å; L324-F326 VanDerWaalsContact CB-CE2 3.48Å; L324-F326 HydrophobicContact CB-CZ 3.68Å; L324-F326 HydrophobicContact CD1-CE2 4.32Å; L324-F326 HydrophobicContact CD1-CZ 3.7Å; L324-F326 HydrophobicContact CG-CZ 4.36Å; F326-E344 WeakPolarHBondContact O-CA 3.2Å; F326-Y345 HydrophobicContact CB-CD2 4.43Å; F326-Y345 PolarHBondContact N-O 2.8Å; F326-Y345 PolarHBondContact O-N 2.57Å; F326-M347 HydrophobicContact CE2-CB 3.85Å
327	A	98.6	Very high	96.1	Very high	26 Å²	26	64.2 Å²	64.2	22%	0.215	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	124.6	163.8	0	0	0	0	0	108.7	S313 L343	S313-A327 PolarHBondContact N-O 2.81Å; S313-A327 PolarHBondContact O-N 2.9Å; A327-L343 CarbonylContact C-O 3.49Å; A327-L343 WeakPolarHBondContact CA-O 3.29Å
328	V	98.6	Very high	96.2	Very high	1 Å²	1	70.5 Å²	70.5	1%	0.006	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	112	-179.1	-173.9	0	0	0	0	108.7	F248 L261 T311 L312 V330 T342 L343 Y345	F248-V328 HydrophobicContact CE1-CG1 4.28Å; F248-V328 HydrophobicContact CZ-CG1 4.49Å; L261-V328 HydrophobicContact CD1-CG1 3.73Å; T311-V328 CarbonylContact O-C 3.54Å; T311-V328 WeakPolarHBondContact O-CA 3.34Å; L312-V328 HydrophobicContact CD1-CG2 4.38Å; L312-V328 HydrophobicContact CG-CG2 4.25Å; V328-V330 HydrophobicContact CG1-CG2 3.82Å; V328-T342 CarbonylContact O-C 3.57Å; V328-T342 WeakPolarHBondContact O-CA 3.42Å; V328-L343 PolarHBondContact N-O 2.93Å; V328-L343 PolarHBondContact O-N 3.34Å; V328-Y345 HydrophobicContact CB-CE2 4.11Å; V328-Y345 HydrophobicContact CG2-CD2 4.04Å; V328-Y345 HydrophobicContact CG2-CE2 3.78Å
329	D	98.4	Very high	96.4	Very high	56 Å²	56	65.6 Å²	65.6	30%	0.299	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129.8	168.9	-60	-53.8	0	0	0	108.6	G310 T311 T342	G310-D329 CarbonylContact C-O 3.48Å; G310-D329 WeakPolarHBondContact CA-O 3.47Å; T311-D329 PolarHBondContact N-O 2.88Å; T311-D329 PolarHBondContact O-N 2.75Å; T311-D329 PolarHBondContact OG1-OD2 3.36Å; D329-T342 VanDerWaalsContact OD1-CB 3.25Å; D329-T342 WeakPolarHBondContact OD1-CB 3.5Å; D329-T342 WeakPolarHBondContact OD1-CG2 3.28Å; D329-T342 PolarHBondContact OD1-OG1 3Å
330	V	98.3	Very high	96.6	Very high	3 Å²	3	60.6 Å²	60.6	2%	0.018	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	123.9	176.8	-174.1	0	0	0	0	108.9	F248 L261 L296 I308 V328 M339 S340 K341	F248-V330 HydrophobicContact CZ-CG2 4.44Å; L261-V330 HydrophobicContact CD1-CG2 4.25Å; L296-V330 HydrophobicContact CD2-CG2 4.21Å; I308-V330 HydrophobicContact CG2-CG1 3.68Å; V328-V330 HydrophobicContact CG1-CG2 3.82Å; V330-M339 HydrophobicContact CB-CE 3.61Å; V330-M339 HydrophobicContact CG1-CE 3.33Å; V330-M339 HydrophobicContact CG2-CE 4.37Å; V330-S340 CarbonylContact O-C 3.57Å; V330-S340 VanDerWaalsContact O-CA 3.29Å; V330-S340 WeakPolarHBondContact O-CA 3.42Å; V330-K341 PolarHBondContact N-O 2.87Å; V330-K341 PolarHBondContact O-N 2.9Å
331	D	98.1	Very high	96.9	Very high	54 Å²	54	61 Å²	61	29%	0.289	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.1	171.1	-170.6	14.4	0	0	0	109.2	F309 R333 M339	F309-D331 PolarHBondContact N-O 2.86Å; F309-D331 PolarHBondContact O-N 3.1Å; D331-R333 IonicContact OD1-NE 3.55Å; D331-R333 IonicContact OD2-NE 3.98Å; D331-R333 IonicContact OD2-NH2 3.77Å; D331-M339 CarbonylContact C-O 3.55Å; D331-M339 WeakPolarHBondContact CA-O 3.31Å
332	F	98.4	Very high	97.2	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.009	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	129	178.9	175.9	-105.7	0	0	0	109.3	L300 V302 E306 E307 I308 G334 C337 E338 M339	L300-F332 HydrophobicContact CB-CD1 4.39Å; L300-F332 HydrophobicContact CD1-CB 4.05Å; L300-F332 HydrophobicContact CD1-CD1 4.33Å; L300-F332 HydrophobicContact CD1-CG 4.07Å; L300-F332 HydrophobicContact CD2-CB 4.23Å; L300-F332 HydrophobicContact CD2-CD1 3.95Å; L300-F332 HydrophobicContact CD2-CG 4.34Å; L300-F332 HydrophobicContact CG-CD1 4.47Å; V302-F332 HydrophobicContact CB-CZ 4.14Å; V302-F332 HydrophobicContact CG1-CE1 4.05Å; V302-F332 HydrophobicContact CG1-CE2 3.9Å; V302-F332 HydrophobicContact CG1-CZ 3.56Å; E306-F332 HydrophobicContact CB-CE2 3.97Å; E306-F332 HydrophobicContact CB-CZ 4.39Å; E306-F332 WeakPolarHBondContact OE2-CZ 3.27Å; E307-F332 WeakPolarHBondContact O-CD2 3.4Å; I308-F332 HydrophobicContact CB-CD2 4.48Å; I308-F332 HydrophobicContact CG1-CD2 3.66Å; I308-F332 HydrophobicContact CG1-CE2 4.23Å; I308-F332 HydrophobicContact CG1-CG 4.42Å; F332-G334 VanDerWaalsContact CZ-CA 3.49Å; F332-C337 WeakPolarHBondContact CD1-O 3.5Å; F332-C337 HydrophobicContact CE1-CB 4.18Å; F332-C337 VanDerWaalsContact CE1-O 3.31Å; F332-C337 WeakPolarHBondContact CE1-O 3.38Å; F332-E338 CarbonylContact O-C 3.53Å; F332-E338 VanDerWaalsContact O-CA 3.28Å; F332-E338 WeakPolarHBondContact O-CA 3.36Å; F332-M339 PolarHBondContact N-O 3.17Å; F332-M339 PolarHBondContact O-N 2.81Å
333	R	98	Very high	97.5	Very high	182 Å²	182	53.7 Å²	53.7	69%	0.687	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.1	82.7	176.2	-59.6	-176	-163.3	-174.3	2.9	109.4	D331 E338	D331-R333 IonicContact OD1-NE 3.55Å; D331-R333 IonicContact OD2-NE 3.98Å; D331-R333 IonicContact OD2-NH2 3.77Å; R333-E338 HydrophobicContact CB-CG 4.44Å
334	G	97.1	Very high	97.7	Very high	11 Å²	11	59 Å²	59	11%	0.113	30%	0.302	C	S	.	.			trans	-95.5	174.4	178	0	0	0	0	0	112.5	E306 F332 L336 C337	E306-G334 WeakPolarHBondContact OE1-CA 3.08Å; F332-G334 VanDerWaalsContact CZ-CA 3.49Å; G334-L336 PolarHBondContact O-N 2.91Å; G334-C337 WeakPolarHBondContact CA-O 3.4Å; G334-C337 PolarHBondContact N-O 2.91Å
335	Q	97.5	Very high	97.7	Very high	142 Å²	142	59.1 Å²	59.1	66%	0.664	30%	0.302	S	S	*	.	S	Bend	trans	-65.7	-25.9	177.7	-67.4	173.8	25.8	0	0	113.3	K303 E306	K303-Q335 HydrophobicContact CD-CB 4.26Å; E306-Q335 WeakPolarHBondContact OE1-CG 3.39Å; E306-Q335 PolarHBondContact OE1-N 3.03Å
336	L	97.4	Very high	97.7	Very high	114 Å²	114	63.4 Å²	63.4	60%	0.597	32%	0.32	S	S	*	.	S	Bend	trans	-114.4	-12.3	-170.7	-59.9	178.5	0	0	0	113.6	T301 K303 G334	T301-L336 HydrophobicContact CG2-CB 3.91Å; T301-L336 HydrophobicContact CG2-CD1 3.78Å; K303-L336 HydrophobicContact CD-CD1 4.12Å; K303-L336 HydrophobicContact CD-CG 4.32Å; K303-L336 HydrophobicContact CG-CD1 4.15Å; G334-L336 PolarHBondContact O-N 2.91Å
337	C	96.6	Very high	97.6	Very high	30 Å²	30	63.7 Å²	63.7	20%	0.203	32%	0.321	C	S	.	.			trans	-160.3	142.8	-173.6	168.2	0	0	0	0	109.5	F332 G334	F332-C337 WeakPolarHBondContact CD1-O 3.5Å; F332-C337 HydrophobicContact CE1-CB 4.18Å; F332-C337 VanDerWaalsContact CE1-O 3.31Å; F332-C337 WeakPolarHBondContact CE1-O 3.38Å; G334-C337 WeakPolarHBondContact CA-O 3.4Å; G334-C337 PolarHBondContact N-O 2.91Å
338	E	96.9	Very high	97.2	Very high	153 Å²	153	71.2 Å²	71.2	72%	0.715	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.6	139.7	167.9	-60.4	-174.2	174.3	0	0	108.8	F332 R333	F332-E338 CarbonylContact O-C 3.53Å; F332-E338 VanDerWaalsContact O-CA 3.28Å; F332-E338 WeakPolarHBondContact O-CA 3.36Å; R333-E338 HydrophobicContact CB-CG 4.44Å
339	M	96.1	Very high	97.1	Very high	27 Å²	27	74.7 Å²	74.7	13%	0.133	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	132.3	176.7	-173.9	178.2	82.9	0	0	109.4	L296 L300 V330 D331 F332 K341	L296-M339 HydrophobicContact CD1-CE 4.25Å; L296-M339 HydrophobicContact CD2-CE 4.47Å; L300-M339 HydrophobicContact CD1-CE 4.32Å; L300-M339 HydrophobicContact CD2-CB 3.61Å; L300-M339 HydrophobicContact CD2-CE 3.64Å; L300-M339 HydrophobicContact CD2-CG 4.23Å; L300-M339 HydrophobicContact CD2-SD 3.61Å; L300-M339 HydrophobicContact CG-CE 4.23Å; V330-M339 HydrophobicContact CB-CE 3.61Å; V330-M339 HydrophobicContact CG1-CE 3.33Å; V330-M339 HydrophobicContact CG2-CE 4.37Å; D331-M339 CarbonylContact C-O 3.55Å; D331-M339 WeakPolarHBondContact CA-O 3.31Å; F332-M339 PolarHBondContact N-O 3.17Å; F332-M339 PolarHBondContact O-N 2.81Å; M339-K341 HydrophobicContact CG-CB 4.28Å
340	S	96.9	Very high	97	Very high	99 Å²	99	75.7 Å²	75.7	69%	0.692	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.4	103.5	168.9	171.7	0	0	0	0	107.7	V330	V330-S340 CarbonylContact O-C 3.57Å; V330-S340 VanDerWaalsContact O-CA 3.29Å; V330-S340 WeakPolarHBondContact O-CA 3.42Å
341	K	96.6	Very high	97	Very high	76 Å²	76	79.7 Å²	79.7	33%	0.33	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	145.2	-170.6	-167.8	165.1	179.3	176.4	0	112.5	D297 V330 M339 L343	D297-K341 WeakPolarHBondContact OD2-CE 2.95Å; D297-K341 IonicContact OD2-NZ 3.99Å; D297-K341 PolarHBondContact OD2-NZ 2.92Å; V330-K341 PolarHBondContact N-O 2.87Å; V330-K341 PolarHBondContact O-N 2.9Å; M339-K341 HydrophobicContact CG-CB 4.28Å; K341-L343 HydrophobicContact CD-CD2 4.16Å; K341-L343 HydrophobicContact CG-CD2 4.28Å; K341-L343 HydrophobicContact CG-CG 4.45Å
342	T	97.9	Very high	96.9	Very high	81 Å²	81	81.2 Å²	81.2	50%	0.497	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130.7	168.7	-52.3	0	0	0	0	109.2	V328 D329	V328-T342 CarbonylContact O-C 3.57Å; V328-T342 WeakPolarHBondContact O-CA 3.42Å; D329-T342 VanDerWaalsContact OD1-CB 3.25Å; D329-T342 WeakPolarHBondContact OD1-CB 3.5Å; D329-T342 WeakPolarHBondContact OD1-CG2 3.28Å; D329-T342 PolarHBondContact OD1-OG1 3Å
343	L	97.8	Very high	96.8	Very high	7 Å²	7	86.2 Å²	86.2	4%	0.037	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130.3	-179.6	-62.2	162.3	0	0	0	109	L296 D297 A327 V328 K341 Y345	L296-L343 HydrophobicContact CB-CD1 4.48Å; L296-L343 HydrophobicContact CD2-CD1 3.45Å; L296-L343 VanDerWaalsContact CD2-CD1 3.45Å; D297-L343 HydrophobicContact CB-CD2 4.36Å; D297-L343 WeakPolarHBondContact OD2-CD2 3.31Å; A327-L343 CarbonylContact C-O 3.49Å; A327-L343 WeakPolarHBondContact CA-O 3.29Å; V328-L343 PolarHBondContact N-O 2.93Å; V328-L343 PolarHBondContact O-N 3.34Å; K341-L343 HydrophobicContact CD-CD2 4.16Å; K341-L343 HydrophobicContact CG-CD2 4.28Å; K341-L343 HydrophobicContact CG-CG 4.45Å; L343-Y345 HydrophobicContact CB-CD2 4.49Å; L343-Y345 HydrophobicContact CB-CE2 3.52Å; L343-Y345 WeakPolarHBondContact CB-OH 3.45Å; L343-Y345 WeakPolarHBondContact CD1-OH 3.33Å
344	E	98.1	Very high	96.7	Very high	139 Å²	139	79.8 Å²	79.8	65%	0.65	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108	132.5	-179.8	-64.8	-173.3	159.4	0	0	110.6	F326	F326-E344 WeakPolarHBondContact O-CA 3.2Å
345	Y	98.4	Very high	96.7	Very high	6 Å²	6	84.7 Å²	84.7	2%	0.024	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	156.9	-179.5	-51.1	-96.5	0	0	0	112.2	I209 K210 P212 F294 Y295 F326 V328 L343	I209-Y345 WeakPolarHBondContact O-CE1 3.19Å; K210-Y345 CarbonylContact O-C 3.43Å; K210-Y345 WeakPolarHBondContact O-CA 3.44Å; K210-Y345 WeakPolarHBondContact O-CB 3.27Å; P212-Y345 HydrophobicContact CG-CD1 4.46Å; P212-Y345 HydrophobicContact CG-CG 4.42Å; F294-Y345 HydrophobicContact CB-CE1 4.24Å; F294-Y345 HydrophobicContact CB-CE2 4.38Å; F294-Y345 HydrophobicContact CD1-CD1 4.11Å; F294-Y345 AromaticContact CD1-CD2 3.81Å; F294-Y345 HydrophobicContact CD1-CD2 3.81Å; F294-Y345 HydrophobicContact CD1-CE1 4.4Å; F294-Y345 HydrophobicContact CD1-CE2 4.1Å; F294-Y345 AromaticContact CD1-CG 3.81Å; F294-Y345 HydrophobicContact CD1-CG 3.81Å; F294-Y345 HydrophobicContact CE1-CD2 4.48Å; F294-Y345 HydrophobicContact CE1-CG 4.41Å; Y295-Y345 WeakPolarHBondContact O-CE1 3.25Å; Y295-Y345 PolarHBondContact O-OH 3.31Å; F326-Y345 HydrophobicContact CB-CD2 4.43Å; F326-Y345 PolarHBondContact N-O 2.8Å; F326-Y345 PolarHBondContact O-N 2.57Å; V328-Y345 HydrophobicContact CB-CE2 4.11Å; V328-Y345 HydrophobicContact CG2-CD2 4.04Å; V328-Y345 HydrophobicContact CG2-CE2 3.78Å; L343-Y345 HydrophobicContact CB-CD2 4.49Å; L343-Y345 HydrophobicContact CB-CE2 3.52Å; L343-Y345 WeakPolarHBondContact CB-OH 3.45Å; L343-Y345 WeakPolarHBondContact CD1-OH 3.33Å
346	K	97.6	Very high	96.6	Very high	116 Å²	116	80.3 Å²	80.3	50%	0.504	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	125.8	175.2	-62.6	-175	177.3	171.9	0	110.4	K210 P212 L324	K210-K346 PolarHBondContact O-N 3.32Å; P212-K346 VanDerWaalsContact CD-O 3.24Å; P212-K346 WeakPolarHBondContact CD-O 3.27Å; L324-K346 WeakPolarHBondContact O-CA 3.3Å
347	M	96.3	Very high	96.6	Very high	13 Å²	13	77.5 Å²	77.5	6%	0.064	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.6	170.2	-174.3	179.4	-76.1	0	0	108	C144 Y147 P212 V214 T292 D323 L324 F326	C144-M347 HydrophobicContact CB-CE 4.07Å; C144-M347 HydrophobicContact CB-SD 4.5Å; Y147-M347 HydrophobicContact CD1-SD 4.36Å; Y147-M347 HydrophobicContact CD2-CB 4.28Å; Y147-M347 HydrophobicContact CD2-CG 3.56Å; Y147-M347 HydrophobicContact CD2-SD 3.6Å; Y147-M347 VanDerWaalsContact CD2-SD 3.6Å; Y147-M347 HydrophobicContact CE2-CB 4.47Å; Y147-M347 HydrophobicContact CE2-CG 3.73Å; Y147-M347 HydrophobicContact CE2-SD 4.33Å; Y147-M347 HydrophobicContact CG-CG 4.14Å; Y147-M347 HydrophobicContact CG-SD 3.62Å; P212-M347 HydrophobicContact CB-CE 4.02Å; P212-M347 HydrophobicContact CG-CE 4.39Å; V214-M347 HydrophobicContact CG2-CE 4.38Å; T292-M347 HydrophobicContact CG2-CE 3.33Å; D323-M347 WeakPolarHBondContact CA-O 3.47Å; D323-M347 WeakPolarHBondContact CB-O 3.28Å; L324-M347 HydrophobicContact CB-CB 4.43Å; L324-M347 PolarHBondContact N-O 2.84Å; L324-M347 PolarHBondContact O-N 2.9Å; F326-M347 HydrophobicContact CE2-CB 3.85Å
348	R	89.9	Confident	96.6	Very high	183 Å²	183	81.8 Å²	81.8	69%	0.691	39%	0.394	S	S	*	.			trans	-139	0	-170.5	58.1	-179.9	173.9	172.4	-0.5	111	Y147 E211 D323	Y147-R348 VanDerWaalsContact OH-C 3.24Å; Y147-R348 PolarHBondContact OH-OXT 3.16Å; E211-R348 IonicContact OE1-CZ 3.9Å; E211-R348 IonicContact OE1-NE 3.76Å; E211-R348 PolarHBondContact OE1-NE 3.13Å; E211-R348 IonicContact OE1-NH2 2.86Å; E211-R348 PolarHBondContact OE1-NH2 2.79Å; D323-R348 HydrophobicContact CB-CB 4.41Å

Retrieved 348 of 348 residues in 1105.7 ms (Link to these results)

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