A0A087XD27_POEFO Loading...

Uridine phosphorylase

Catalyzes the reversible phosphorylytic cleavage of uridine to uracil and ribose-1-phosphate which can then be utilized as carbon and energy sources or in the rescue of pyrimidine bases for nucleotide synthesis. Shows broad substrate specificity and can also accept deoxyuridine and other analogous compounds.

AlphaFold DB , UniProt , Accession A0A087XD27, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 313 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.9	Very low	33	Very low	250 Å²	250	143.5 Å²	143.5	100%	1.232	83%	0.83	S	S	*	*				0	103.7	0	-80.1	-163.1	-93.6	0	0	107.7
2	A	28.8	Very low	33	Very low	96 Å²	96	147.1 Å²	147.1	79%	0.793	83%	0.834	S	S	*	*			trans	-110.7	130.8	171.9	0	0	0	0	0	107.2
3	P	40.5	Very low	33.3	Very low	125 Å²	125	147.3 Å²	147.3	81%	0.812	82%	0.823	S	S	*	*			trans	-85.5	130	175.9	30.6	-25.1	0	0	0	110.1
4	I	38.8	Very low	33.6	Very low	150 Å²	150	144.9 Å²	144.9	77%	0.769	81%	0.808	S	S	*	*			trans	-68.3	131.2	161.6	-65.1	160.5	0	0	0	107.3	L6	I4-L6 HydrophobicContact CG2-CD1 4.37Å
5	L	34.1	Very low	34	Very low	173 Å²	173	144.3 Å²	144.3	91%	0.906	80%	0.802	S	S	*	*			trans	-131.7	116.4	155.7	-97.5	163.7	0	0	0	109.5
6	L	32.7	Very low	34.9	Very low	130 Å²	130	146.8 Å²	146.8	68%	0.681	80%	0.797	S	S	*	*			trans	-78.3	157.5	177.2	-135.1	81.6	0	0	0	110.4	I4	I4-L6 HydrophobicContact CG2-CD1 4.37Å
7	N	30.2	Very low	36.1	Very low	129 Å²	129	147.2 Å²	147.2	69%	0.69	80%	0.797	S	S	*	*			trans	81	114.9	157.7	-62.6	-12.7	0	0	0	118.4
8	C	28.8	Very low	37.5	Very low	128 Å²	128	146.3 Å²	146.3	87%	0.865	78%	0.784	S	S	*	*				-155.3	106.6	93.5	-88.7	0	0	0	0	109	G10	C8-G10 PolarHBondContact O-N 3.27Å
9	M	32.3	Very low	39.5	Very low	184 Å²	184	146.3 Å²	146.3	91%	0.906	78%	0.779	S	S	*	*			trans	-67.8	110.7	160.1	-64.8	-161.4	-46.4	0	0	106.9	N11	M9-N11 PolarHBondContact O-N 3.23Å
10	G	28.5	Very low	42	Very low	69 Å²	69	141.8 Å²	141.8	71%	0.711	75%	0.753	S	S	*	*			trans	-67.6	114.4	165.5	0	0	0	0	0	108.3	C8 E12	C8-G10 PolarHBondContact O-N 3.27Å; G10-E12 PolarHBondContact O-N 3.08Å; G10-E12 VanDerWaalsContact O-N 3.08Å
11	N	31.4	Very low	44.3	Very low	144 Å²	144	135.3 Å²	135.3	77%	0.77	72%	0.719	S	S	*	*			trans	-56	107.6	160	-105.4	-11.1	0	0	0	107.7	M9 H13	M9-N11 PolarHBondContact O-N 3.23Å; N11-H13 PolarHBondContact O-N 3.3Å
12	E	33.1	Very low	46.8	Very low	187 Å²	187	127.9 Å²	127.9	87%	0.874	68%	0.681	S	S	*	*			trans	-69.1	85.9	160.9	-72.2	-174.1	168.5	0	0	107.6	G10 N14	G10-E12 PolarHBondContact O-N 3.08Å; G10-E12 VanDerWaalsContact O-N 3.08Å; E12-N14 PolarHBondContact O-N 2.91Å
13	H	36.7	Very low	49.9	Very low	150 Å²	150	124.6 Å²	124.6	69%	0.694	65%	0.651	S	S	*	*			trans	-65.6	89.9	157	-99	41.5	0	0	0	107.1	N11 D15	N11-H13 PolarHBondContact O-N 3.3Å; H13-D15 PolarHBondContact O-N 3.02Å
14	N	38.3	Very low	52.4	Low	113 Å²	113	126.1 Å²	126.1	60%	0.604	65%	0.645	S	S	*	*			trans	-70.7	90	162	-129.5	-0.9	0	0	0	106.2	E12 Y16	E12-N14 PolarHBondContact O-N 2.91Å; N14-Y16 HydrophobicContact CB-CD2 3.96Å; N14-Y16 HydrophobicContact CB-CE2 3.73Å; N14-Y16 PolarHBondContact ND2-OH 3Å; N14-Y16 WeakPolarHBondContact O-CD2 3.41Å; N14-Y16 PolarHBondContact O-N 2.73Å
15	D	38.6	Very low	55.2	Low	136 Å²	136	122.1 Å²	122.1	73%	0.727	63%	0.625	S	S	*	*			trans	-62.9	79.8	164.3	-87.6	-26.6	0	0	0	107.6	H13 I17	H13-D15 PolarHBondContact O-N 3.02Å; D15-I17 VanDerWaalsContact C-N 3.34Å; D15-I17 PolarHBondContact O-N 3.31Å
16	Y	48.4	Very low	58.1	Low	184 Å²	184	118.4 Å²	118.4	72%	0.722	61%	0.611	S	S	*	*			trans	-60.9	102.1	165.5	-78.1	-83.4	0	0	0	106.4	N14 K18	N14-Y16 HydrophobicContact CB-CD2 3.96Å; N14-Y16 HydrophobicContact CB-CE2 3.73Å; N14-Y16 PolarHBondContact ND2-OH 3Å; N14-Y16 WeakPolarHBondContact O-CD2 3.41Å; N14-Y16 PolarHBondContact O-N 2.73Å; Y16-K18 PolarHBondContact O-N 3.23Å
17	I	54.8	Low	61.1	Low	154 Å²	154	120.2 Å²	120.2	79%	0.79	61%	0.61	S	S	*	*			trans	-55.2	105.1	172	-62.9	174.2	0	0	0	106.9	D15 Q19	D15-I17 VanDerWaalsContact C-N 3.34Å; D15-I17 PolarHBondContact O-N 3.31Å; I17-Q19 PolarHBondContact O-N 2.95Å; I17-Q19 VanDerWaalsContact O-N 3.11Å
18	K	61.8	Low	64.2	Low	132 Å²	132	114.6 Å²	114.6	57%	0.574	58%	0.58	S	S	*	*			trans	-53.2	114	177.8	-72.1	-177.9	157.6	-167.8	0	109.5	Y16 Q20 R134 D135	Y16-K18 PolarHBondContact O-N 3.23Å; K18-Q20 PolarHBondContact O-N 3.12Å; K18-R134 HydrophobicContact CB-CB 4.44Å; K18-D135 WeakPolarHBondContact CA-OD1 3.11Å; K18-D135 WeakPolarHBondContact CB-OD1 3.15Å; K18-D135 WeakPolarHBondContact CB-OD2 3.38Å; K18-D135 WeakPolarHBondContact CD-OD2 3.48Å; K18-D135 VanDerWaalsContact CE-OD2 3.28Å; K18-D135 WeakPolarHBondContact CE-OD2 3.31Å; K18-D135 WeakPolarHBondContact CG-OD2 3.24Å; K18-D135 IonicContact NZ-OD2 2.83Å
19	Q	76.7	Confident	67.1	Low	146 Å²	146	115 Å²	115	68%	0.682	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-75.9	124.6	-171.3	-71.4	-173.6	5.2	0	0	110.1	I17 R134 D135	I17-Q19 PolarHBondContact O-N 2.95Å; I17-Q19 VanDerWaalsContact O-N 3.11Å; Q19-R134 WeakPolarHBondContact O-CA 3.48Å; Q19-D135 PolarHBondContact N-OD1 2.76Å; Q19-D135 PolarHBondContact O-N 3.2Å
20	Q	88.5	Confident	70.1	Confident	56 Å²	56	111.6 Å²	111.6	26%	0.262	56%	0.564	S	S	.	*	B	Isolated β-bridge	trans	-67.4	144.9	169.7	-178.5	178.7	-11.5	0	0	109.9	K18 Q22 C133 R134	K18-Q20 PolarHBondContact O-N 3.12Å; Q20-Q22 WeakPolarHBondContact O-CG 3.48Å; Q20-Q22 PolarHBondContact O-N 3.38Å; Q20-Q22 PolarHBondContact O-NE2 3.32Å; Q20-C133 WeakPolarHBondContact CA-O 3.47Å; Q20-R134 HydrophobicContact CB-CG 4.2Å
21	V	89.9	Confident	73.3	Confident	6 Å²	6	112.7 Å²	112.7	4%	0.036	55%	0.551	C	S	.	*	P	Polyproline II helix	trans	-55.8	122.6	175.2	178.3	0	0	0	0	110.1	I125 L128 H129 C133 V136 L265	V21-I125 HydrophobicContact CG1-CG2 4.19Å; V21-L128 HydrophobicContact CB-CB 4.22Å; V21-L128 HydrophobicContact CG1-CB 4.04Å; V21-L128 HydrophobicContact CG2-CB 4.05Å; V21-H129 HydrophobicContact CG1-CB 4.49Å; V21-H129 PolarHBondContact O-ND1 3.02Å; V21-C133 HydrophobicContact CG2-CB 4.18Å; V21-C133 PolarHBondContact N-O 2.84Å; V21-V136 HydrophobicContact CG2-CB 4.36Å; V21-V136 HydrophobicContact CG2-CG2 3.86Å; V21-L265 HydrophobicContact CB-CD2 4.44Å; V21-L265 HydrophobicContact CG1-CD1 4.48Å; V21-L265 HydrophobicContact CG1-CD2 4.04Å; V21-L265 HydrophobicContact CG2-CD2 3.77Å
22	Q	89.5	Confident	76.4	Confident	93 Å²	93	113.7 Å²	113.7	44%	0.435	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-102.6	146.2	-177.8	-60.6	-57.4	-50.6	0	0	110.9	Q20 C263	Q20-Q22 WeakPolarHBondContact O-CG 3.48Å; Q20-Q22 PolarHBondContact O-N 3.38Å; Q20-Q22 PolarHBondContact O-NE2 3.32Å; Q22-C263 WeakPolarHBondContact O-CB 3.04Å
23	V	94.5	Very high	79.5	Confident	28 Å²	28	107.6 Å²	107.6	17%	0.17	52%	0.523	C	S	.	.			trans	-112.1	146.7	171.5	-70	0	0	0	0	109.6	L28 I125 H129	V23-L28 HydrophobicContact CB-CD1 3.89Å; V23-L28 HydrophobicContact CG1-CD1 4.06Å; V23-L28 HydrophobicContact CG2-CD1 3.67Å; V23-I125 HydrophobicContact CG1-CG2 4.13Å; V23-H129 HydrophobicContact CG1-CB 3.74Å
24	K	93.4	Very high	82.4	Confident	157 Å²	157	100.8 Å²	100.8	68%	0.683	49%	0.492	S	S	*	.	S	Bend	trans	-101.8	51.1	175.5	-61.5	-62.8	-173.3	-177.8	0	110.9	V262	K24-V262 HydrophobicContact CB-CG1 4.41Å; K24-V262 VanDerWaalsContact CE-O 3.31Å; K24-V262 WeakPolarHBondContact CE-O 3.32Å; K24-V262 HydrophobicContact CG-CG1 3.87Å
25	N	96.2	Very high	85.3	Confident	65 Å²	65	99.9 Å²	99.9	35%	0.348	49%	0.486	S	S	.	.			trans	-142.7	102.4	179.4	-177.6	3.4	0	0	0	110.7	Y27 L28	N25-Y27 PolarHBondContact O-N 2.92Å; N25-Y27 WeakPolarHBondContact OD1-CB 3.38Å; N25-Y27 VanDerWaalsContact OD1-CD2 3.28Å; N25-Y27 WeakPolarHBondContact OD1-CD2 3.48Å; N25-Y27 PolarHBondContact OD1-N 3.26Å; N25-Y27 VanDerWaalsContact OD1-N 3.07Å; N25-L28 HydrophobicContact CB-CD1 3.95Å; N25-L28 HydrophobicContact CB-CG 4.08Å; N25-L28 PolarHBondContact O-N 2.89Å
26	P	94.9	Very high	88.1	Confident	95 Å²	95	93.4 Å²	93.4	62%	0.617	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-15.3	-177.8	30.2	-36.3	0	0	0	113.3	L28	P26-L28 VanDerWaalsContact C-N 3.33Å
27	Y	96.9	Very high	90.5	Very high	168 Å²	168	92.2 Å²	92.2	66%	0.659	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-19.1	-178.5	-58.4	-71.6	0	0	0	112.7	N25 D29 T30 M31	N25-Y27 PolarHBondContact O-N 2.92Å; N25-Y27 WeakPolarHBondContact OD1-CB 3.38Å; N25-Y27 VanDerWaalsContact OD1-CD2 3.28Å; N25-Y27 WeakPolarHBondContact OD1-CD2 3.48Å; N25-Y27 PolarHBondContact OD1-N 3.26Å; N25-Y27 VanDerWaalsContact OD1-N 3.07Å; Y27-D29 VanDerWaalsContact C-N 3.33Å; Y27-D29 PolarHBondContact O-N 3.31Å; Y27-T30 PolarHBondContact O-N 2.94Å; Y27-T30 VanDerWaalsContact O-N 3.17Å; Y27-T30 PolarHBondContact O-OG1 3.45Å; Y27-M31 WeakPolarHBondContact O-CG 3.25Å
28	L	94.5	Very high	92.6	Very high	11 Å²	11	87.2 Å²	87.2	6%	0.058	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-61.1	-40.2	-179.6	-73.9	172.2	0	0	0	112.4	V23 N25 P26 T30 M31 K126	V23-L28 HydrophobicContact CB-CD1 3.89Å; V23-L28 HydrophobicContact CG1-CD1 4.06Å; V23-L28 HydrophobicContact CG2-CD1 3.67Å; N25-L28 HydrophobicContact CB-CD1 3.95Å; N25-L28 HydrophobicContact CB-CG 4.08Å; N25-L28 PolarHBondContact O-N 2.89Å; P26-L28 VanDerWaalsContact C-N 3.33Å; L28-T30 PolarHBondContact O-N 3.28Å; L28-T30 VanDerWaalsContact O-N 3.17Å; L28-M31 HydrophobicContact CD2-SD 3.93Å; L28-M31 PolarHBondContact O-N 3.02Å; L28-K126 HydrophobicContact CD1-CD 4Å; L28-K126 HydrophobicContact CD1-CG 3.98Å; L28-K126 HydrophobicContact CD2-CD 3.61Å; L28-K126 HydrophobicContact CD2-CG 4.44Å; L28-K126 HydrophobicContact CG-CD 4.47Å
29	D	90	Very high	94.4	Very high	137 Å²	137	80.9 Å²	80.9	73%	0.733	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-66.4	-18.8	-179.2	-64.4	-22.8	0	0	0	113.1	Y27	Y27-D29 VanDerWaalsContact C-N 3.33Å; Y27-D29 PolarHBondContact O-N 3.31Å
30	T	94.4	Very high	95.4	Very high	112 Å²	112	76.8 Å²	76.8	69%	0.687	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-96	-7	-179.2	64.1	0	0	0	0	113.4	Y27 L28	Y27-T30 PolarHBondContact O-N 2.94Å; Y27-T30 VanDerWaalsContact O-N 3.17Å; Y27-T30 PolarHBondContact O-OG1 3.45Å; L28-T30 PolarHBondContact O-N 3.28Å; L28-T30 VanDerWaalsContact O-N 3.17Å
31	M	95.9	Very high	95.9	Very high	93 Å²	93	74.2 Å²	74.2	46%	0.458	37%	0.368	S	S	.	.			trans	-77.8	131.6	-180	-67.2	178.2	70.7	0	0	110.3	Y27 L28 E33 D34	Y27-M31 WeakPolarHBondContact O-CG 3.25Å; L28-M31 HydrophobicContact CD2-SD 3.93Å; L28-M31 PolarHBondContact O-N 3.02Å; M31-E33 VanDerWaalsContact C-N 3.28Å; M31-E33 WeakPolarHBondContact CE-O 3.41Å; M31-D34 HydrophobicContact CE-CB 4.46Å
32	E	97	Very high	96.3	Very high	164 Å²	164	74.2 Å²	74.2	77%	0.766	37%	0.368	S	S	*	.	S	Bend	trans	-67.7	-33.5	174.1	-165.5	-166.3	147.8	0	0	111.8	K44	E32-K44 VanDerWaalsContact CD-NZ 3.28Å; E32-K44 WeakPolarHBondContact O-CE 3.41Å; E32-K44 IonicContact OE1-NZ 3.48Å; E32-K44 PolarHBondContact OE1-NZ 3.43Å
33	E	98	Very high	96.7	Very high	60 Å²	60	72.1 Å²	72.1	28%	0.28	36%	0.361	S	S	.	.			trans	-147.1	137.5	178.3	-177.2	175.2	-172.7	0	0	108.4	M31 I35 S42 K44	M31-E33 VanDerWaalsContact C-N 3.28Å; M31-E33 WeakPolarHBondContact CE-O 3.41Å; E33-I35 HydrophobicContact CG-CG1 4.1Å; E33-S42 WeakPolarHBondContact CG-OG 3.49Å; E33-S42 WeakPolarHBondContact OE1-CB 3.4Å; E33-S42 PolarHBondContact OE1-OG 2.99Å; E33-K44 HydrophobicContact CB-CD 3.85Å; E33-K44 HydrophobicContact CB-CG 3.94Å; E33-K44 HydrophobicContact CG-CB 4.03Å; E33-K44 HydrophobicContact CG-CD 3.96Å; E33-K44 HydrophobicContact CG-CG 3.78Å; E33-K44 WeakPolarHBondContact OE2-CD 3.34Å; E33-K44 IonicContact OE2-NZ 2.71Å
34	D	98.4	Very high	96.8	Very high	7 Å²	7	76 Å²	76	4%	0.037	38%	0.376	C	S	.	.			trans	-112.5	113.5	170.8	-173.5	19.7	0	0	0	109.1	M31 S42 T43 K126 H130	M31-D34 HydrophobicContact CE-CB 4.46Å; D34-S42 WeakPolarHBondContact O-CA 3.47Å; D34-T43 HydrophobicContact CB-CG2 3.99Å; D34-T43 PolarHBondContact N-OG1 2.88Å; D34-T43 PolarHBondContact O-N 3.44Å; D34-K126 IonicContact OD1-NZ 3.79Å; D34-K126 PolarHBondContact OD1-NZ 2.93Å; D34-K126 WeakPolarHBondContact OD2-CD 3.28Å; D34-K126 WeakPolarHBondContact OD2-CE 3.31Å; D34-K126 IonicContact OD2-NZ 2.72Å; D34-K126 PolarHBondContact OD2-NZ 3.03Å; D34-H130 IonicContact OD2-CD2 3.54Å; D34-H130 IonicContact OD2-CE1 3.58Å; D34-H130 IonicContact OD2-NE2 2.59Å; D34-H130 PolarHBondContact OD2-NE2 3.42Å
35	I	98.4	Very high	97	Very high	94 Å²	94	73.1 Å²	73.1	48%	0.482	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	117.3	178.7	-59.9	168.8	0	0	0	108	E33 Y37	E33-I35 HydrophobicContact CG-CG1 4.1Å; I35-Y37 VanDerWaalsContact C-N 3.3Å; I35-Y37 PolarHBondContact O-N 3.35Å
36	L	98.6	Very high	97.1	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	77.8	170.2	-49.2	-174.6	0	0	0	107.4	H38 F39 S40 L41 E123 K126 L127	L36-H38 VanDerWaalsContact C-N 3.32Å; L36-H38 PolarHBondContact O-N 3.35Å; L36-F39 HydrophobicContact CB-CB 4.32Å; L36-F39 HydrophobicContact CB-CD2 4.39Å; L36-F39 HydrophobicContact CD1-CD2 4.46Å; L36-F39 CarbonylContact O-C 3.5Å; L36-F39 PolarHBondContact O-N 2.95Å; L36-F39 VanDerWaalsContact O-N 3.09Å; L36-S40 PolarHBondContact O-N 2.99Å; L36-L41 WeakPolarHBondContact CA-O 3.47Å; L36-L41 HydrophobicContact CB-CB 4.21Å; L36-L41 HydrophobicContact CD1-CB 4.38Å; L36-L41 PolarHBondContact N-O 2.98Å; L36-L41 PolarHBondContact O-N 3.47Å; L36-E123 WeakPolarHBondContact CA-OE2 3.37Å; L36-E123 HydrophobicContact CB-CB 4.28Å; L36-E123 HydrophobicContact CB-CG 4.35Å; L36-E123 HydrophobicContact CD2-CB 4.32Å; L36-E123 HydrophobicContact CD2-CG 4.4Å; L36-K126 HydrophobicContact CD2-CB 4.11Å; L36-K126 VanDerWaalsContact CD2-CE 3.48Å; L36-L127 HydrophobicContact CD1-CB 3.7Å; L36-L127 HydrophobicContact CD1-CD1 4.09Å; L36-L127 HydrophobicContact CD1-CG 4.3Å
37	Y	98.6	Very high	97.3	Very high	159 Å²	159	72.4 Å²	72.4	62%	0.624	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-57.4	-43.1	-165.9	178.5	-96.6	0	0	0	112.8	I35 F39 S40 E123	I35-Y37 VanDerWaalsContact C-N 3.3Å; I35-Y37 PolarHBondContact O-N 3.35Å; Y37-F39 PolarHBondContact O-N 3.44Å; Y37-S40 PolarHBondContact O-N 2.97Å; Y37-E123 PolarHBondContact N-OE1 2.74Å; Y37-E123 PolarHBondContact N-OE2 3.01Å
38	H	98.8	Very high	97.4	Very high	48 Å²	48	64.5 Å²	64.5	22%	0.222	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-78.2	-11.1	-176.7	-55.1	81.9	0	0	0	112.9	L36 T94 R96 Y97 I119 E123	L36-H38 VanDerWaalsContact C-N 3.32Å; L36-H38 PolarHBondContact O-N 3.35Å; H38-T94 WeakPolarHBondContact O-CG2 3.34Å; H38-R96 HydrophobicContact CB-CB 4.2Å; H38-Y97 HydrophobicContact CB-CD2 3.83Å; H38-Y97 HydrophobicContact CB-CE2 3.63Å; H38-I119 HydrophobicContact CB-CG2 4.08Å; H38-I119 VanDerWaalsContact CG-CG2 3.47Å; H38-I119 WeakPolarHBondContact ND1-CG2 3.47Å; H38-E123 IonicContact CE1-OE1 2.68Å; H38-E123 IonicContact CG-OE1 3.77Å; H38-E123 PolarHBondContact N-OE1 2.84Å; H38-E123 VanDerWaalsContact N-OE1 3.09Å; H38-E123 PolarHBondContact N-OE2 2.82Å; H38-E123 IonicContact ND1-OE1 3.55Å; H38-E123 PolarHBondContact ND1-OE1 2.98Å
39	F	98.8	Very high	97.5	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-99.9	-7.2	168.8	-65.3	-27.2	0	0	0	114	L36 Y37 L41 C91 Y97 M99 I108 M120 E123 L124 L127	L36-F39 HydrophobicContact CB-CB 4.32Å; L36-F39 HydrophobicContact CB-CD2 4.39Å; L36-F39 HydrophobicContact CD1-CD2 4.46Å; L36-F39 CarbonylContact O-C 3.5Å; L36-F39 PolarHBondContact O-N 2.95Å; L36-F39 VanDerWaalsContact O-N 3.09Å; Y37-F39 PolarHBondContact O-N 3.44Å; F39-L41 HydrophobicContact CB-CB 4.41Å; F39-L41 HydrophobicContact CB-CD1 4.05Å; F39-L41 HydrophobicContact CB-CG 4.07Å; F39-L41 PolarHBondContact O-N 3.41Å; F39-C91 PolarHBondContact O-SG 3.44Å; F39-Y97 AromaticContact CD1-CD2 3.95Å; F39-Y97 HydrophobicContact CD1-CD2 3.95Å; F39-Y97 HydrophobicContact CD1-CG 4.45Å; F39-Y97 AromaticContact CE1-CD2 3.65Å; F39-Y97 HydrophobicContact CE1-CD2 3.65Å; F39-Y97 HydrophobicContact CE1-CG 4Å; F39-M99 HydrophobicContact CD1-CE 3.98Å; F39-M99 HydrophobicContact CD2-CE 3.73Å; F39-M99 HydrophobicContact CE1-CE 3.91Å; F39-M99 HydrophobicContact CE2-CE 3.63Å; F39-M99 HydrophobicContact CG-CE 3.91Å; F39-M99 HydrophobicContact CZ-CE 3.74Å; F39-I108 HydrophobicContact CE1-CG2 4.15Å; F39-I108 HydrophobicContact CZ-CG2 4.32Å; F39-M120 HydrophobicContact CE1-CG 4.04Å; F39-M120 HydrophobicContact CZ-CG 3.86Å; F39-M120 HydrophobicContact CZ-SD 4.33Å; F39-E123 HydrophobicContact CD2-CB 3.7Å; F39-E123 HydrophobicContact CE2-CB 3.55Å; F39-E123 HydrophobicContact CZ-CB 4.24Å; F39-E123 PolarHBondContact N-OE2 3.25Å; F39-E123 VanDerWaalsContact N-OE2 3.12Å; F39-L124 HydrophobicContact CE2-CB 4.24Å; F39-L124 HydrophobicContact CZ-CB 4.36Å; F39-L127 HydrophobicContact CD2-CD1 4.46Å
40	S	98.1	Very high	97.9	Very high	59 Å²	59	67.5 Å²	67.5	41%	0.413	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	34.1	-171.7	-148.7	0	0	0	0	113.1	L36 Y37	L36-S40 PolarHBondContact O-N 2.99Å; Y37-S40 PolarHBondContact O-N 2.97Å
41	L	98.5	Very high	98.1	Very high	3 Å²	3	65.1 Å²	65.1	2%	0.016	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	154.4	178.8	-62	174.8	0	0	0	110.8	L36 F39 H46 F52 I90 L127	L36-L41 WeakPolarHBondContact CA-O 3.47Å; L36-L41 HydrophobicContact CB-CB 4.21Å; L36-L41 HydrophobicContact CD1-CB 4.38Å; L36-L41 PolarHBondContact N-O 2.98Å; L36-L41 PolarHBondContact O-N 3.47Å; F39-L41 HydrophobicContact CB-CB 4.41Å; F39-L41 HydrophobicContact CB-CD1 4.05Å; F39-L41 HydrophobicContact CB-CG 4.07Å; F39-L41 PolarHBondContact O-N 3.41Å; L41-H46 WeakPolarHBondContact CD2-NE2 3.06Å; L41-F52 HydrophobicContact CD1-CE2 4.29Å; L41-F52 HydrophobicContact CD1-CZ 4.17Å; L41-I90 HydrophobicContact CD1-CG2 4.42Å; L41-I90 HydrophobicContact CD2-CG2 4.28Å; L41-L127 HydrophobicContact CD1-CD1 3.66Å
42	S	98.2	Very high	98.2	Very high	5 Å²	5	60.8 Å²	60.8	4%	0.035	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	148.3	173.8	144.7	0	0	0	0	111.1	E33 D34 K44 T45 H46	E33-S42 WeakPolarHBondContact CG-OG 3.49Å; E33-S42 WeakPolarHBondContact OE1-CB 3.4Å; E33-S42 PolarHBondContact OE1-OG 2.99Å; D34-S42 WeakPolarHBondContact O-CA 3.47Å; S42-K44 PolarHBondContact O-N 3.29Å; S42-K44 PolarHBondContact OG-N 2.89Å; S42-T45 VanDerWaalsContact CB-OG1 3.3Å; S42-T45 WeakPolarHBondContact CB-OG1 3.33Å; S42-T45 PolarHBondContact O-N 2.94Å; S42-H46 PolarHBondContact N-ND1 2.93Å; S42-H46 WeakPolarHBondContact O-CB 3.41Å; S42-H46 PolarHBondContact O-N 3.14Å; S42-H46 PolarHBondContact O-ND1 3.5Å
43	T	98.1	Very high	98.3	Very high	49 Å²	49	54.4 Å²	54.4	30%	0.301	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.2	176	56.8	0	0	0	0	114.2	D34 L48 H130	D34-T43 HydrophobicContact CB-CG2 3.99Å; D34-T43 PolarHBondContact N-OG1 2.88Å; D34-T43 PolarHBondContact O-N 3.44Å; T43-L48 HydrophobicContact CG2-CD1 3.97Å; T43-H130 HydrophobicContact CG2-CB 4.44Å
44	K	97.7	Very high	98.3	Very high	109 Å²	109	55.1 Å²	55.1	47%	0.474	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-30.6	176.6	-77.5	-169.1	-177.3	162	0	113.5	E32 E33 S42	E32-K44 VanDerWaalsContact CD-NZ 3.28Å; E32-K44 WeakPolarHBondContact O-CE 3.41Å; E32-K44 IonicContact OE1-NZ 3.48Å; E32-K44 PolarHBondContact OE1-NZ 3.43Å; E33-K44 HydrophobicContact CB-CD 3.85Å; E33-K44 HydrophobicContact CB-CG 3.94Å; E33-K44 HydrophobicContact CG-CB 4.03Å; E33-K44 HydrophobicContact CG-CD 3.96Å; E33-K44 HydrophobicContact CG-CG 3.78Å; E33-K44 WeakPolarHBondContact OE2-CD 3.34Å; E33-K44 IonicContact OE2-NZ 2.71Å; S42-K44 PolarHBondContact O-N 3.29Å; S42-K44 PolarHBondContact OG-N 2.89Å
45	T	97.6	Very high	98.3	Very high	98 Å²	98	54.8 Å²	54.8	60%	0.601	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-16	-177.1	52.8	0	0	0	0	112.9	S42	S42-T45 VanDerWaalsContact CB-OG1 3.3Å; S42-T45 WeakPolarHBondContact CB-OG1 3.33Å; S42-T45 PolarHBondContact O-N 2.94Å
46	H	98.3	Very high	98.3	Very high	58 Å²	58	53.2 Å²	53.2	27%	0.269	28%	0.277	S	S	.	.	S	Bend	trans	-132.3	134.3	-175.5	-58.8	81.7	0	0	0	111.8	L41 S42 L48 M51	L41-H46 WeakPolarHBondContact CD2-NE2 3.06Å; S42-H46 PolarHBondContact N-ND1 2.93Å; S42-H46 WeakPolarHBondContact O-CB 3.41Å; S42-H46 PolarHBondContact O-N 3.14Å; S42-H46 PolarHBondContact O-ND1 3.5Å; H46-L48 VanDerWaalsContact C-N 3.3Å; H46-L48 HydrophobicContact CB-CD2 3.82Å; H46-L48 HydrophobicContact CB-CG 4.49Å; H46-L48 PolarHBondContact O-N 3Å; H46-M51 HydrophobicContact CB-SD 3.8Å
47	N	98.3	Very high	98.3	Very high	86 Å²	86	53.7 Å²	53.7	46%	0.46	28%	0.279	S	S	.	.			trans	-79.6	78.8	171	-171	-4.6	0	0	0	110.2	P49 E50 M51	N47-P49 WeakPolarHBondContact OD1-CD 3.49Å; N47-E50 HydrophobicContact CB-CB 4.02Å; N47-E50 VanDerWaalsContact CG-CB 3.46Å; N47-E50 WeakPolarHBondContact ND2-CB 3.42Å; N47-E50 PolarHBondContact ND2-OE2 3.17Å; N47-E50 PolarHBondContact O-N 3.02Å; N47-E50 VanDerWaalsContact O-N 3.07Å; N47-E50 PolarHBondContact OD1-N 3.48Å; N47-M51 WeakPolarHBondContact O-CG 3.21Å; N47-M51 PolarHBondContact O-N 3.22Å
48	L	98.4	Very high	98.3	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-56.9	-39.6	-175.2	-56.9	-178.2	0	0	0	114	T43 H46 E50 M51 F52 H130 A131	T43-L48 HydrophobicContact CG2-CD1 3.97Å; H46-L48 VanDerWaalsContact C-N 3.3Å; H46-L48 HydrophobicContact CB-CD2 3.82Å; H46-L48 HydrophobicContact CB-CG 4.49Å; H46-L48 PolarHBondContact O-N 3Å; L48-E50 PolarHBondContact O-N 2.94Å; L48-M51 PolarHBondContact O-N 3.36Å; L48-F52 HydrophobicContact CB-CD2 4.43Å; L48-F52 HydrophobicContact CD2-CD2 4.08Å; L48-F52 HydrophobicContact CD2-CE2 3.82Å; L48-F52 PolarHBondContact O-N 3.2Å; L48-H130 HydrophobicContact CB-CB 4.45Å; L48-H130 HydrophobicContact CD1-CB 3.71Å; L48-A131 HydrophobicContact CB-CB 4.42Å; L48-A131 WeakPolarHBondContact O-CB 3.31Å
49	P	98.4	Very high	98.4	Very high	57 Å²	57	43.9 Å²	43.9	37%	0.37	24%	0.239	S	C	.	.	H	α-helix	trans	-57.9	-42.2	172.3	-27.4	35.1	0	0	0	114.3	N47 G53	N47-P49 WeakPolarHBondContact OD1-CD 3.49Å; P49-G53 VanDerWaalsContact O-CA 3.32Å; P49-G53 WeakPolarHBondContact O-CA 3.22Å; P49-G53 PolarHBondContact O-N 3.15Å
50	E	98.4	Very high	98.4	Very high	153 Å²	153	43.9 Å²	43.9	72%	0.715	24%	0.239	S	C	*	.	H	α-helix	trans	-70.2	-39.7	177.6	-179	178	-174.5	0	0	111.6	N47 L48	N47-E50 HydrophobicContact CB-CB 4.02Å; N47-E50 VanDerWaalsContact CG-CB 3.46Å; N47-E50 WeakPolarHBondContact ND2-CB 3.42Å; N47-E50 PolarHBondContact ND2-OE2 3.17Å; N47-E50 PolarHBondContact O-N 3.02Å; N47-E50 VanDerWaalsContact O-N 3.07Å; N47-E50 PolarHBondContact OD1-N 3.48Å; L48-E50 PolarHBondContact O-N 2.94Å
51	M	98.3	Very high	98.4	Very high	63 Å²	63	41 Å²	41	31%	0.31	22%	0.219	S	C	.	.	H	α-helix	trans	-73.7	-33.2	-177.6	-68.8	176.1	69.4	0	0	113.6	H46 N47 L48 I90 K101	H46-M51 HydrophobicContact CB-SD 3.8Å; N47-M51 WeakPolarHBondContact O-CG 3.21Å; N47-M51 PolarHBondContact O-N 3.22Å; L48-M51 PolarHBondContact O-N 3.36Å; M51-I90 HydrophobicContact CE-CG2 4.3Å; M51-K101 VanDerWaalsContact O-CD 3.29Å; M51-K101 WeakPolarHBondContact O-CD 3.47Å; M51-K101 WeakPolarHBondContact O-CE 3.48Å
52	F	98.6	Very high	98.4	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-135.3	-3.1	-167.2	-55.7	-77.9	0	0	0	115.4	L41 L48 D54 I55 I90 M99 K101 L106 L127 A131 C133	L41-F52 HydrophobicContact CD1-CE2 4.29Å; L41-F52 HydrophobicContact CD1-CZ 4.17Å; L48-F52 HydrophobicContact CB-CD2 4.43Å; L48-F52 HydrophobicContact CD2-CD2 4.08Å; L48-F52 HydrophobicContact CD2-CE2 3.82Å; L48-F52 PolarHBondContact O-N 3.2Å; F52-D54 PolarHBondContact O-N 2.96Å; F52-I55 HydrophobicContact CB-CG1 4.17Å; F52-I55 HydrophobicContact CD1-CG1 4.41Å; F52-I55 WeakPolarHBondContact O-CB 3.46Å; F52-I55 VanDerWaalsContact O-CG1 3.23Å; F52-I55 WeakPolarHBondContact O-CG1 3.39Å; F52-I55 PolarHBondContact O-N 2.91Å; F52-I90 HydrophobicContact CE1-CD1 4Å; F52-I90 HydrophobicContact CZ-CD1 4.35Å; F52-I90 HydrophobicContact CZ-CG2 4.11Å; F52-M99 HydrophobicContact CE1-SD 3.92Å; F52-M99 HydrophobicContact CZ-SD 4.13Å; F52-K101 HydrophobicContact CD1-CD 4.45Å; F52-L106 HydrophobicContact CD1-CD1 4.18Å; F52-L106 HydrophobicContact CD1-CD2 4.43Å; F52-L106 HydrophobicContact CE1-CD1 3.99Å; F52-L127 HydrophobicContact CB-CD2 4.01Å; F52-L127 HydrophobicContact CD1-CD2 4Å; F52-L127 HydrophobicContact CD2-CD1 4.23Å; F52-L127 HydrophobicContact CD2-CD2 3.85Å; F52-L127 HydrophobicContact CD2-CG 4.1Å; F52-L127 HydrophobicContact CE1-CD1 4.44Å; F52-L127 HydrophobicContact CE1-CD2 4.4Å; F52-L127 HydrophobicContact CE2-CD1 3.86Å; F52-L127 HydrophobicContact CE2-CD2 4.29Å; F52-L127 HydrophobicContact CE2-CG 4.23Å; F52-L127 HydrophobicContact CG-CD2 3.69Å; F52-L127 HydrophobicContact CG-CG 4.45Å; F52-L127 HydrophobicContact CZ-CD1 3.96Å; F52-A131 HydrophobicContact CB-CB 3.68Å; F52-C133 PolarHBondContact O-SG 3.49Å
53	G	98.3	Very high	98.4	Very high	31 Å²	31	43.6 Å²	43.6	32%	0.32	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.3	-174	0	0	0	0	0	115.1	P49 A131	P49-G53 VanDerWaalsContact O-CA 3.32Å; P49-G53 WeakPolarHBondContact O-CA 3.22Å; P49-G53 PolarHBondContact O-N 3.15Å; G53-A131 WeakPolarHBondContact CA-O 3.37Å
54	D	98.1	Very high	98.4	Very high	74 Å²	74	42.8 Å²	42.8	40%	0.396	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-2.6	176.9	69.6	-36.1	0	0	0	114.1	F52 K56 K101 P104	F52-D54 PolarHBondContact O-N 2.96Å; D54-K56 PolarHBondContact O-N 3.45Å; D54-K101 WeakPolarHBondContact OD1-CE 3.49Å; D54-K101 IonicContact OD1-NZ 3.35Å; D54-K101 PolarHBondContact OD1-NZ 3.34Å; D54-K101 IonicContact OD2-NZ 3.02Å; D54-K101 PolarHBondContact OD2-NZ 3.42Å; D54-P104 WeakPolarHBondContact O-CB 3.18Å
55	I	98.6	Very high	98.3	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.25	C	C	.	.			trans	-64.6	131.8	-179.5	-65.1	-57.8	0	0	0	111.4	F52 V58 K101 L106 L128 V136	F52-I55 HydrophobicContact CB-CG1 4.17Å; F52-I55 HydrophobicContact CD1-CG1 4.41Å; F52-I55 WeakPolarHBondContact O-CB 3.46Å; F52-I55 VanDerWaalsContact O-CG1 3.23Å; F52-I55 WeakPolarHBondContact O-CG1 3.39Å; F52-I55 PolarHBondContact O-N 2.91Å; I55-V58 HydrophobicContact CG2-CG2 3.7Å; I55-K101 HydrophobicContact CD1-CD 4.09Å; I55-K101 HydrophobicContact CD1-CG 3.99Å; I55-L106 HydrophobicContact CD1-CB 3.95Å; I55-L106 HydrophobicContact CD1-CD1 4.44Å; I55-L106 HydrophobicContact CG1-CB 4.45Å; I55-L106 HydrophobicContact CG2-CB 4.25Å; I55-L128 HydrophobicContact CB-CD2 4.4Å; I55-L128 HydrophobicContact CG2-CD2 3.99Å; I55-V136 HydrophobicContact CG2-CG1 4.34Å
56	K	98.4	Very high	98.3	Very high	62 Å²	62	41.3 Å²	41.3	27%	0.27	23%	0.228	S	C	.	.			trans	-123.3	-28.6	175.7	-62.1	-61.9	172.8	-174.3	0	113.5	D54 P104 R134 V136 V137	D54-K56 PolarHBondContact O-N 3.45Å; K56-P104 HydrophobicContact CB-CB 4.23Å; K56-P104 HydrophobicContact CG-CB 4.2Å; K56-P104 PolarHBondContact N-O 3.29Å; K56-R134 PolarHBondContact NZ-O 3.03Å; K56-V136 WeakPolarHBondContact O-CA 3.27Å; K56-V137 PolarHBondContact O-N 3.41Å
57	F	98.8	Very high	98.4	Very high	10 Å²	10	38.6 Å²	38.6	4%	0.044	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.1	-178.8	-51.2	-72.2	0	0	0	109.3	P104 V105 L106 V137 F139 F304 I305 H308 L309	F57-P104 PolarHBondContact N-O 3.15Å; F57-P104 VanDerWaalsContact N-O 3.12Å; F57-V105 HydrophobicContact CB-CG2 4.36Å; F57-V105 HydrophobicContact CD2-CG2 4.31Å; F57-V105 CarbonylContact O-C 3.56Å; F57-V105 WeakPolarHBondContact O-CA 3.28Å; F57-L106 PolarHBondContact O-N 3.32Å; F57-V137 WeakPolarHBondContact CA-O 3.21Å; F57-V137 HydrophobicContact CD1-CB 4.33Å; F57-F139 HydrophobicContact CD1-CE2 4.03Å; F57-F304 HydrophobicContact CE1-CE1 4.21Å; F57-I305 HydrophobicContact CB-CD1 3.94Å; F57-I305 HydrophobicContact CB-CG1 4.09Å; F57-I305 HydrophobicContact CD1-CG1 4.04Å; F57-I305 HydrophobicContact CD2-CB 4.42Å; F57-I305 HydrophobicContact CD2-CG1 4.08Å; F57-I305 HydrophobicContact CD2-CG2 3.73Å; F57-I305 HydrophobicContact CE2-CG2 3.94Å; F57-I305 HydrophobicContact CG-CD1 4.19Å; F57-I305 HydrophobicContact CG-CG1 3.78Å; F57-I305 HydrophobicContact CG-CG2 4.31Å; F57-H308 HydrophobicContact CE1-CB 4.19Å; F57-H308 HydrophobicContact CZ-CB 3.58Å; F57-L309 HydrophobicContact CE2-CD1 4.46Å; F57-L309 HydrophobicContact CE2-CD2 4.02Å; F57-L309 HydrophobicContact CE2-CG 4.07Å
58	V	98.9	Very high	98.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	120.3	173.5	-177.4	0	0	0	0	108.3	I55 V60 L106 I108 L124 L128 V136 V137 L138 F139	I55-V58 HydrophobicContact CG2-CG2 3.7Å; V58-V60 HydrophobicContact CG1-CG1 3.92Å; V58-L106 CarbonylContact C-O 3.5Å; V58-L106 WeakPolarHBondContact CA-O 2.96Å; V58-L106 HydrophobicContact CG1-CB 4.33Å; V58-L106 HydrophobicContact CG2-CB 4.12Å; V58-L106 HydrophobicContact CG2-CD2 4.44Å; V58-I108 HydrophobicContact CG1-CD1 3.88Å; V58-I108 HydrophobicContact CG1-CG1 4.48Å; V58-L124 HydrophobicContact CG1-CD1 4.17Å; V58-L124 HydrophobicContact CG1-CD2 3.76Å; V58-L128 HydrophobicContact CG2-CD1 4.24Å; V58-L128 HydrophobicContact CG2-CD2 4.24Å; V58-V136 HydrophobicContact CG2-CG1 3.72Å; V58-V137 PolarHBondContact N-O 3.42Å; V58-L138 HydrophobicContact CB-CD1 4.47Å; V58-L138 HydrophobicContact CB-CG 4.13Å; V58-L138 CarbonylContact O-C 3.58Å; V58-L138 WeakPolarHBondContact O-CA 3.46Å; V58-F139 PolarHBondContact O-N 3.11Å
59	C	98.9	Very high	98.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.2	177.4	-60.7	0	0	0	0	109	M67 F70 L106 S107 I108 F139 L141	C59-M67 HydrophobicContact CB-CE 4.19Å; C59-M67 WeakPolarHBondContact O-CE 3.27Å; C59-F70 HydrophobicContact CB-CD1 3.97Å; C59-F70 HydrophobicContact CB-CE1 3.36Å; C59-F70 HydrophobicContact CB-CZ 4.1Å; C59-F70 WeakPolarHBondContact SG-CE1 3.5Å; C59-L106 PolarHBondContact N-O 2.99Å; C59-S107 CarbonylContact O-C 3.59Å; C59-S107 VanDerWaalsContact O-CA 3.3Å; C59-S107 WeakPolarHBondContact O-CA 3Å; C59-I108 PolarHBondContact O-N 3.39Å; C59-F139 CarbonylContact C-O 3.55Å; C59-F139 WeakPolarHBondContact CA-O 3.3Å; C59-L141 HydrophobicContact CB-CD1 3.98Å; C59-L141 HydrophobicContact CB-CG 4.39Å
60	V	98.9	Very high	98.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	143.2	-177.9	-51.7	0	0	0	0	111	V58 I108 M120 L124 F139 R140 L141 F256	V58-V60 HydrophobicContact CG1-CG1 3.92Å; V60-I108 VanDerWaalsContact CA-O 3.24Å; V60-I108 WeakPolarHBondContact CA-O 3.16Å; V60-I108 HydrophobicContact CG1-CB 4.2Å; V60-M120 HydrophobicContact CB-CE 3.82Å; V60-M120 HydrophobicContact CG1-CE 3.68Å; V60-M120 HydrophobicContact CG1-SD 4.22Å; V60-M120 HydrophobicContact CG2-CE 4.08Å; V60-L124 HydrophobicContact CG1-CD2 4.37Å; V60-F139 PolarHBondContact N-O 3.15Å; V60-R140 HydrophobicContact CG2-CB 4.17Å; V60-R140 CarbonylContact O-C 3.59Å; V60-R140 WeakPolarHBondContact O-CA 3.26Å; V60-L141 PolarHBondContact O-N 3.12Å; V60-F256 HydrophobicContact CG2-CD2 4.35Å; V60-F256 HydrophobicContact CG2-CE2 3.92Å
61	G	98.8	Very high	98.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	160.7	178	0	0	0	0	0	112.9	S63 M67 I108 S109 H110 L141	G61-S63 PolarHBondContact O-N 2.71Å; G61-M67 WeakPolarHBondContact CA-SD 3.46Å; G61-M67 PolarHBondContact N-SD 2.88Å; G61-M67 VanDerWaalsContact N-SD 3.39Å; G61-I108 PolarHBondContact N-O 2.7Å; G61-S109 CarbonylContact O-C 3.6Å; G61-S109 WeakPolarHBondContact O-CA 3.34Å; G61-H110 VanDerWaalsContact CA-CD2 3.42Å; G61-H110 WeakPolarHBondContact CA-CD2 3.47Å; G61-H110 WeakPolarHBondContact CA-NE2 3.26Å; G61-H110 PolarHBondContact N-CD2 2.67Å; G61-H110 VanDerWaalsContact N-CD2 3.32Å; G61-H110 PolarHBondContact O-CD2 2.97Å; G61-H110 PolarHBondContact O-N 3.5Å; G61-L141 WeakPolarHBondContact CA-O 3.43Å
62	G	98.3	Very high	98.3	Very high	17 Å²	17	29.5 Å²	29.5	18%	0.175	17%	0.172	C	C	.	.	S	Bend	trans	-67.2	-41	-168.4	0	0	0	0	0	115.5	H110 G111	G62-H110 WeakPolarHBondContact CA-CE1 3.33Å; G62-H110 PolarHBondContact N-CE1 3.25Å; G62-H110 VanDerWaalsContact N-CE1 3.33Å; G62-H110 PolarHBondContact N-NE2 2.72Å; G62-H110 VanDerWaalsContact N-NE2 3.11Å; G62-G111 WeakPolarHBondContact CA-O 3.47Å; G62-G111 WeakPolarHBondContact O-CA 3.44Å; G62-G111 PolarHBondContact O-N 3.29Å; G62-G111 VanDerWaalsContact O-N 3.14Å
63	S	98.1	Very high	98.3	Very high	44 Å²	44	32.2 Å²	32.2	31%	0.308	18%	0.184	S	C	.	.			trans	-89.6	126.7	-174.4	173	0	0	0	0	112.2	G61 N65 R66 M67	G61-S63 PolarHBondContact O-N 2.71Å; S63-N65 PolarHBondContact O-N 2.72Å; S63-N65 PolarHBondContact OG-N 3.11Å; S63-R66 PolarHBondContact O-N 3.43Å; S63-R66 PolarHBondContact OG-N 3.21Å; S63-M67 WeakPolarHBondContact O-CG 3.44Å; S63-M67 PolarHBondContact O-N 3.35Å
64	A	97.7	Very high	98.3	Very high	33 Å²	33	30.8 Å²	30.8	27%	0.273	17%	0.169	S	C	.	.	H	α-helix	trans	-53.1	-49.4	171.9	0	0	0	0	0	112.7	R66 M67 K68 C98	A64-R66 VanDerWaalsContact C-N 3.3Å; A64-R66 PolarHBondContact O-N 2.93Å; A64-M67 PolarHBondContact O-N 2.66Å; A64-M67 VanDerWaalsContact O-N 3.16Å; A64-K68 PolarHBondContact O-N 3.41Å; A64-C98 HydrophobicContact CB-CB 4.31Å
65	N	97.1	Very high	98.3	Very high	133 Å²	133	28.2 Å²	28.2	71%	0.711	15%	0.154	S	C	*	.	H	α-helix	trans	-59.7	-41.4	179.2	-68.2	-16.2	0	0	0	112	S63 K68 A69	S63-N65 PolarHBondContact O-N 2.72Å; S63-N65 PolarHBondContact OG-N 3.11Å; N65-K68 PolarHBondContact O-N 3.37Å; N65-A69 WeakPolarHBondContact O-CB 3.26Å; N65-A69 PolarHBondContact O-N 2.72Å
66	R	97.6	Very high	98.2	Very high	42 Å²	42	33.6 Å²	33.6	16%	0.158	18%	0.179	C	C	.	.	H	α-helix	trans	-66.5	-39.2	178.5	-172.1	170.4	55.9	-116.5	0.1	111.7	S63 A64 A69 F70	S63-R66 PolarHBondContact O-N 3.43Å; S63-R66 PolarHBondContact OG-N 3.21Å; A64-R66 VanDerWaalsContact C-N 3.3Å; A64-R66 PolarHBondContact O-N 2.93Å; R66-A69 PolarHBondContact O-N 3.17Å; R66-F70 WeakPolarHBondContact O-CB 3.46Å; R66-F70 PolarHBondContact O-N 2.97Å
67	M	98.6	Very high	98.1	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-74.5	-29.5	179.1	-61.6	-45.1	-63.6	0	0	112.8	C59 G61 S63 A64 F70 A71 S107 I108	C59-M67 HydrophobicContact CB-CE 4.19Å; C59-M67 WeakPolarHBondContact O-CE 3.27Å; G61-M67 WeakPolarHBondContact CA-SD 3.46Å; G61-M67 PolarHBondContact N-SD 2.88Å; G61-M67 VanDerWaalsContact N-SD 3.39Å; S63-M67 WeakPolarHBondContact O-CG 3.44Å; S63-M67 PolarHBondContact O-N 3.35Å; A64-M67 PolarHBondContact O-N 2.66Å; A64-M67 VanDerWaalsContact O-N 3.16Å; M67-F70 HydrophobicContact CE-CD1 4.15Å; M67-A71 PolarHBondContact O-N 2.78Å; M67-A71 VanDerWaalsContact O-N 3.07Å; M67-S107 WeakPolarHBondContact CE-OG 3.31Å; M67-S107 PolarHBondContact O-OG 3.32Å; M67-I108 WeakPolarHBondContact CG-O 3.31Å
68	K	98.3	Very high	98	Very high	78 Å²	78	33.7 Å²	33.7	34%	0.339	18%	0.181	S	C	.	.	H	α-helix	trans	-64.9	-50.1	167.3	-173	175.4	-179.7	175.3	0	111.3	A64 N65 F70 A71 Q72 Y100	A64-K68 PolarHBondContact O-N 3.41Å; N65-K68 PolarHBondContact O-N 3.37Å; K68-F70 VanDerWaalsContact C-N 3.26Å; K68-F70 PolarHBondContact O-N 3.37Å; K68-A71 WeakPolarHBondContact O-CB 3.34Å; K68-A71 PolarHBondContact O-N 2.83Å; K68-A71 VanDerWaalsContact O-N 3.09Å; K68-Q72 WeakPolarHBondContact O-CG 3.43Å; K68-Q72 PolarHBondContact O-N 2.82Å; K68-Y100 VanDerWaalsContact CA-CE2 3.46Å; K68-Y100 HydrophobicContact CB-CD2 4.29Å; K68-Y100 HydrophobicContact CB-CE1 4.42Å; K68-Y100 HydrophobicContact CB-CE2 3.56Å; K68-Y100 HydrophobicContact CD-CE1 4.4Å; K68-Y100 HydrophobicContact CG-CE1 4.11Å; K68-Y100 HydrophobicContact CG-CE2 4.13Å
69	A	97.7	Very high	97.8	Very high	45 Å²	45	42.6 Å²	42.6	37%	0.372	22%	0.22	S	C	.	.	H	α-helix	trans	-58.9	-39.8	177.3	0	0	0	0	0	111.6	N65 R66 Q72 F73	N65-A69 WeakPolarHBondContact O-CB 3.26Å; N65-A69 PolarHBondContact O-N 2.72Å; R66-A69 PolarHBondContact O-N 3.17Å; A69-Q72 PolarHBondContact O-N 3.39Å; A69-F73 WeakPolarHBondContact O-CB 3.4Å; A69-F73 PolarHBondContact O-N 2.9Å
70	F	98.4	Very high	97.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.1	-42.3	174.2	-179.3	-111.6	0	0	0	112.5	C59 R66 M67 K68 Q72 F73 M74 V105 L141 Q298	C59-F70 HydrophobicContact CB-CD1 3.97Å; C59-F70 HydrophobicContact CB-CE1 3.36Å; C59-F70 HydrophobicContact CB-CZ 4.1Å; C59-F70 WeakPolarHBondContact SG-CE1 3.5Å; R66-F70 WeakPolarHBondContact O-CB 3.46Å; R66-F70 PolarHBondContact O-N 2.97Å; M67-F70 HydrophobicContact CE-CD1 4.15Å; K68-F70 VanDerWaalsContact C-N 3.26Å; K68-F70 PolarHBondContact O-N 3.37Å; F70-Q72 PolarHBondContact O-N 2.88Å; F70-F73 HydrophobicContact CD2-CD1 4.12Å; F70-F73 HydrophobicContact CE2-CD1 4.24Å; F70-F73 WeakPolarHBondContact O-CB 3.33Å; F70-F73 PolarHBondContact O-N 2.91Å; F70-M74 HydrophobicContact CD1-CG 4.21Å; F70-M74 HydrophobicContact CD2-CG 4.18Å; F70-M74 HydrophobicContact CE1-CG 3.65Å; F70-M74 HydrophobicContact CE1-SD 4.5Å; F70-M74 HydrophobicContact CE2-CG 3.66Å; F70-M74 HydrophobicContact CE2-SD 3.79Å; F70-M74 HydrophobicContact CG-CG 4.46Å; F70-M74 HydrophobicContact CZ-CG 3.37Å; F70-M74 HydrophobicContact CZ-SD 3.66Å; F70-M74 WeakPolarHBondContact O-CB 3.38Å; F70-M74 WeakPolarHBondContact O-CG 3.18Å; F70-M74 PolarHBondContact O-N 3.27Å; F70-V105 HydrophobicContact CE1-CG1 4.35Å; F70-L141 HydrophobicContact CD1-CD1 4.26Å; F70-L141 HydrophobicContact CD2-CD1 4.13Å; F70-L141 HydrophobicContact CE1-CD1 4.15Å; F70-L141 HydrophobicContact CE2-CD1 3.98Å; F70-L141 HydrophobicContact CG-CD1 4.25Å; F70-L141 HydrophobicContact CZ-CD1 3.98Å; F70-Q298 HydrophobicContact CB-CG 4.48Å; F70-Q298 HydrophobicContact CD2-CB 3.62Å; F70-Q298 HydrophobicContact CD2-CG 3.63Å; F70-Q298 HydrophobicContact CE2-CB 3.91Å; F70-Q298 HydrophobicContact CE2-CG 4.26Å; F70-Q298 HydrophobicContact CG-CG 4.33Å
71	A	98.5	Very high	97.3	Very high	2 Å²	2	50.9 Å²	50.9	2%	0.017	27%	0.27	C	S	.	.	H	α-helix	trans	-61.6	-44.7	176.7	0	0	0	0	0	111.5	M67 K68 M74 H75 I87 Y100 V102	M67-A71 PolarHBondContact O-N 2.78Å; M67-A71 VanDerWaalsContact O-N 3.07Å; K68-A71 WeakPolarHBondContact O-CB 3.34Å; K68-A71 PolarHBondContact O-N 2.83Å; K68-A71 VanDerWaalsContact O-N 3.09Å; A71-M74 PolarHBondContact O-N 3.05Å; A71-H75 PolarHBondContact O-N 2.93Å; A71-I87 HydrophobicContact CB-CG2 4.43Å; A71-Y100 HydrophobicContact CB-CD2 4.34Å; A71-Y100 HydrophobicContact CB-CG 4.07Å; A71-V102 HydrophobicContact CB-CG2 3.93Å; A71-V102 WeakPolarHBondContact O-CG2 3.33Å
72	Q	98.3	Very high	97	Very high	46 Å²	46	54 Å²	54	22%	0.215	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-43.2	175.8	-65.5	176.2	-45.8	0	0	111.8	K68 A69 F70 M74 H75 H76 P84 I87	K68-Q72 WeakPolarHBondContact O-CG 3.43Å; K68-Q72 PolarHBondContact O-N 2.82Å; A69-Q72 PolarHBondContact O-N 3.39Å; F70-Q72 PolarHBondContact O-N 2.88Å; Q72-M74 PolarHBondContact O-N 2.77Å; Q72-H75 WeakPolarHBondContact O-CB 3.35Å; Q72-H75 PolarHBondContact O-N 3.4Å; Q72-H76 PolarHBondContact O-CD2 3.02Å; Q72-H76 PolarHBondContact O-N 2.82Å; Q72-P84 HydrophobicContact CB-CB 4.11Å; Q72-P84 HydrophobicContact CG-CB 4.27Å; Q72-I87 HydrophobicContact CG-CD1 4.22Å
73	F	97.8	Very high	96.6	Very high	59 Å²	59	58 Å²	58	26%	0.259	32%	0.318	S	S	.	.	H	α-helix	trans	-58.9	-47	173.7	172.6	-115.4	0	0	0	111.9	A69 F70 H75 H76 E77 V299	A69-F73 WeakPolarHBondContact O-CB 3.4Å; A69-F73 PolarHBondContact O-N 2.9Å; F70-F73 HydrophobicContact CD2-CD1 4.12Å; F70-F73 HydrophobicContact CE2-CD1 4.24Å; F70-F73 WeakPolarHBondContact O-CB 3.33Å; F70-F73 PolarHBondContact O-N 2.91Å; F73-H75 VanDerWaalsContact C-N 3.3Å; F73-H75 PolarHBondContact O-N 2.95Å; F73-H76 WeakPolarHBondContact O-CB 3.39Å; F73-H76 PolarHBondContact O-N 3.07Å; F73-E77 HydrophobicContact CD1-CG 4.38Å; F73-E77 HydrophobicContact CD2-CG 4.01Å; F73-E77 HydrophobicContact CE1-CG 3.99Å; F73-E77 HydrophobicContact CE2-CG 3.55Å; F73-E77 HydrophobicContact CG-CG 4.4Å; F73-E77 HydrophobicContact CZ-CG 3.55Å; F73-E77 WeakPolarHBondContact O-CB 3.28Å; F73-E77 WeakPolarHBondContact O-CG 3.38Å; F73-E77 PolarHBondContact O-N 3.33Å; F73-V299 HydrophobicContact CZ-CG2 4.24Å
74	M	98.3	Very high	96.1	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-64.3	-33	176.9	-73.2	-53.1	-57.3	0	0	112.8	F70 A71 Q72 H76 E77 L78 V102 V105 S302 I305	F70-M74 HydrophobicContact CD1-CG 4.21Å; F70-M74 HydrophobicContact CD2-CG 4.18Å; F70-M74 HydrophobicContact CE1-CG 3.65Å; F70-M74 HydrophobicContact CE1-SD 4.5Å; F70-M74 HydrophobicContact CE2-CG 3.66Å; F70-M74 HydrophobicContact CE2-SD 3.79Å; F70-M74 HydrophobicContact CG-CG 4.46Å; F70-M74 HydrophobicContact CZ-CG 3.37Å; F70-M74 HydrophobicContact CZ-SD 3.66Å; F70-M74 WeakPolarHBondContact O-CB 3.38Å; F70-M74 WeakPolarHBondContact O-CG 3.18Å; F70-M74 PolarHBondContact O-N 3.27Å; A71-M74 PolarHBondContact O-N 3.05Å; Q72-M74 PolarHBondContact O-N 2.77Å; M74-H76 VanDerWaalsContact C-N 3.32Å; M74-H76 PolarHBondContact O-N 2.81Å; M74-E77 PolarHBondContact O-N 3.4Å; M74-L78 HydrophobicContact CE-CD1 4.11Å; M74-L78 HydrophobicContact CE-CD2 4.02Å; M74-L78 HydrophobicContact CE-CG 3.92Å; M74-L78 VanDerWaalsContact O-CB 3.28Å; M74-L78 WeakPolarHBondContact O-CB 3.47Å; M74-L78 WeakPolarHBondContact O-CG 3.27Å; M74-L78 PolarHBondContact O-N 3.43Å; M74-V102 HydrophobicContact CB-CG1 4.32Å; M74-V105 HydrophobicContact CE-CG2 4.23Å; M74-S302 WeakPolarHBondContact SD-CB 3.36Å; M74-S302 PolarHBondContact SD-OG 3.4Å; M74-S302 VanDerWaalsContact SD-OG 3.37Å; M74-I305 HydrophobicContact CE-CB 4.15Å; M74-I305 HydrophobicContact CE-CD1 4.11Å; M74-I305 HydrophobicContact CE-CG2 3.82Å
75	H	97.8	Very high	95.7	Very high	20 Å²	20	60.5 Å²	60.5	9%	0.093	32%	0.321	C	S	.	.	H	α-helix	trans	-60.8	-44.8	176.6	177.5	-76.1	0	0	0	111	A71 Q72 F73 K79 L80 P81 G82 P84 I87 V102	A71-H75 PolarHBondContact O-N 2.93Å; Q72-H75 WeakPolarHBondContact O-CB 3.35Å; Q72-H75 PolarHBondContact O-N 3.4Å; F73-H75 VanDerWaalsContact C-N 3.3Å; F73-H75 PolarHBondContact O-N 2.95Å; H75-K79 PolarHBondContact O-N 2.86Å; H75-L80 PolarHBondContact CE1-O 3.4Å; H75-L80 PolarHBondContact O-N 2.93Å; H75-P81 PolarHBondContact NE2-O 2.78Å; H75-G82 PolarHBondContact CE1-O 2.76Å; H75-P84 HydrophobicContact CB-CB 4.34Å; H75-I87 HydrophobicContact CB-CD1 3.83Å; H75-V102 VanDerWaalsContact CA-CG1 3.48Å; H75-V102 HydrophobicContact CB-CG1 3.75Å
76	H	96.4	Very high	95.4	Very high	113 Å²	113	59.4 Å²	59.4	52%	0.523	32%	0.315	S	S	.	.	H	α-helix	trans	-64.2	-48.8	173.1	-69.2	-62.7	0	0	0	112.7	Q72 F73 M74 L78 K79 P84	Q72-H76 PolarHBondContact O-CD2 3.02Å; Q72-H76 PolarHBondContact O-N 2.82Å; F73-H76 WeakPolarHBondContact O-CB 3.39Å; F73-H76 PolarHBondContact O-N 3.07Å; M74-H76 VanDerWaalsContact C-N 3.32Å; M74-H76 PolarHBondContact O-N 2.81Å; H76-L78 PolarHBondContact O-N 3.45Å; H76-K79 PolarHBondContact O-N 3.26Å; H76-P84 WeakPolarHBondContact CE1-CG 3.38Å; H76-P84 WeakPolarHBondContact NE2-CG 3.43Å
77	E	96.5	Very high	95.3	Very high	58 Å²	58	58.6 Å²	58.6	27%	0.271	31%	0.313	S	S	.	.	H	α-helix	trans	-62.3	-32.5	-176.8	-78.1	-61.9	115.2	0	0	112.8	F73 M74 S302 K306	F73-E77 HydrophobicContact CD1-CG 4.38Å; F73-E77 HydrophobicContact CD2-CG 4.01Å; F73-E77 HydrophobicContact CE1-CG 3.99Å; F73-E77 HydrophobicContact CE2-CG 3.55Å; F73-E77 HydrophobicContact CG-CG 4.4Å; F73-E77 HydrophobicContact CZ-CG 3.55Å; F73-E77 WeakPolarHBondContact O-CB 3.28Å; F73-E77 WeakPolarHBondContact O-CG 3.38Å; F73-E77 PolarHBondContact O-N 3.33Å; M74-E77 PolarHBondContact O-N 3.4Å; E77-S302 WeakPolarHBondContact CG-OG 3.44Å; E77-K306 HydrophobicContact CB-CD 4.16Å; E77-K306 VanDerWaalsContact OE2-CD 3.26Å; E77-K306 WeakPolarHBondContact OE2-CD 3.43Å; E77-K306 WeakPolarHBondContact OE2-CE 3.49Å; E77-K306 IonicContact OE2-NZ 3.37Å; E77-K306 PolarHBondContact OE2-NZ 2.87Å
78	L	96.7	Very high	95.1	Very high	15 Å²	15	67.9 Å²	67.9	8%	0.079	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-1.7	176	-61	-178	0	0	0	113.5	M74 H76 L80 V102 V105 I305 K306 L309 L311	M74-L78 HydrophobicContact CE-CD1 4.11Å; M74-L78 HydrophobicContact CE-CD2 4.02Å; M74-L78 HydrophobicContact CE-CG 3.92Å; M74-L78 VanDerWaalsContact O-CB 3.28Å; M74-L78 WeakPolarHBondContact O-CB 3.47Å; M74-L78 WeakPolarHBondContact O-CG 3.27Å; M74-L78 PolarHBondContact O-N 3.43Å; H76-L78 PolarHBondContact O-N 3.45Å; L78-L80 HydrophobicContact CB-CD1 4.35Å; L78-L80 HydrophobicContact CB-CD2 4.36Å; L78-L80 HydrophobicContact CB-CG 3.9Å; L78-L80 PolarHBondContact O-N 2.96Å; L78-V102 HydrophobicContact CD1-CG1 4.49Å; L78-V105 HydrophobicContact CD1-CG2 3.95Å; L78-I305 HydrophobicContact CD2-CG2 4.41Å; L78-K306 HydrophobicContact CD2-CG 4.24Å; L78-L309 HydrophobicContact CD1-CD1 4.48Å; L78-L309 HydrophobicContact CD2-CD1 3.63Å; L78-L311 HydrophobicContact CD2-CD1 3.55Å
79	K	95.3	Very high	95.1	Very high	188 Å²	188	65.6 Å²	65.6	82%	0.817	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	40.4	-179.8	-54	179.8	-176.9	175.7	0	112.8	H75 H76	H75-K79 PolarHBondContact O-N 2.86Å; H76-K79 PolarHBondContact O-N 3.26Å
80	L	94.5	Very high	95.2	Very high	55 Å²	55	65.8 Å²	65.8	29%	0.288	33%	0.334	S	S	.	.			trans	-72.9	148.9	-179.6	-64.5	179.9	0	0	0	110.9	H75 L78 V102	H75-L80 PolarHBondContact CE1-O 3.4Å; H75-L80 PolarHBondContact O-N 2.93Å; L78-L80 HydrophobicContact CB-CD1 4.35Å; L78-L80 HydrophobicContact CB-CD2 4.36Å; L78-L80 HydrophobicContact CB-CG 3.9Å; L78-L80 PolarHBondContact O-N 2.96Å; L80-V102 HydrophobicContact CD1-CB 4.48Å; L80-V102 HydrophobicContact CD1-CG1 3.42Å; L80-V102 VanDerWaalsContact CD1-CG1 3.42Å
81	P	93.2	Very high	95.1	Very high	118 Å²	118	65.8 Å²	65.8	77%	0.766	33%	0.334	S	S	*	.	S	Bend	trans	-66.6	159.6	174.5	29.6	-35.2	0	0	0	111.4	H75	H75-P81 PolarHBondContact NE2-O 2.78Å
82	G	91.6	Very high	95	Very high	65 Å²	65	73 Å²	73	67%	0.67	37%	0.367	S	S	*	.	S	Bend	trans	93.4	-172.5	178.9	0	0	0	0	0	113.7	H75	H75-G82 PolarHBondContact CE1-O 2.76Å
83	I	90.6	Very high	94.8	Very high	101 Å²	101	73.6 Å²	73.6	52%	0.518	39%	0.386	S	S	.	.			trans	-107.1	122.5	-175	-59	172.7	0	0	0	108	E85 D86	I83-E85 HydrophobicContact CG2-CB 4.04Å; I83-E85 WeakPolarHBondContact CG2-OE2 3.44Å; I83-E85 PolarHBondContact O-N 3.31Å; I83-D86 WeakPolarHBondContact O-CB 3.48Å; I83-D86 PolarHBondContact O-N 2.94Å
84	P	87.6	Confident	94.8	Very high	9 Å²	9	72.4 Å²	72.4	6%	0.058	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-56.7	-30.8	-179.2	-12.2	13.7	0	0	0	113.9	Q72 H75 H76 D86 I87	Q72-P84 HydrophobicContact CB-CB 4.11Å; Q72-P84 HydrophobicContact CG-CB 4.27Å; H75-P84 HydrophobicContact CB-CB 4.34Å; H76-P84 WeakPolarHBondContact CE1-CG 3.38Å; H76-P84 WeakPolarHBondContact NE2-CG 3.43Å; P84-D86 PolarHBondContact O-N 2.96Å; P84-I87 HydrophobicContact CB-CD1 4.48Å; P84-I87 WeakPolarHBondContact O-CB 3.4Å; P84-I87 WeakPolarHBondContact O-CD1 3.49Å; P84-I87 VanDerWaalsContact O-CG1 3.22Å; P84-I87 WeakPolarHBondContact O-CG1 3.26Å; P84-I87 PolarHBondContact O-N 3.45Å
85	E	89.2	Confident	94.6	Very high	122 Å²	122	78.9 Å²	78.9	57%	0.57	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-64	-21.8	177	-67.7	70.6	-158.7	0	0	113.1	I83 I87	I83-E85 HydrophobicContact CG2-CB 4.04Å; I83-E85 WeakPolarHBondContact CG2-OE2 3.44Å; I83-E85 PolarHBondContact O-N 3.31Å; E85-I87 VanDerWaalsContact C-N 3.28Å; E85-I87 PolarHBondContact O-N 3.23Å
86	D	91.6	Very high	94.6	Very high	110 Å²	110	85.1 Å²	85.1	59%	0.588	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-82.4	-3.4	178.2	-66.8	-23	0	0	0	113.1	I83 P84 R88	I83-D86 WeakPolarHBondContact O-CB 3.48Å; I83-D86 PolarHBondContact O-N 2.94Å; P84-D86 PolarHBondContact O-N 2.96Å; D86-R88 WeakPolarHBondContact O-CG 3.46Å; D86-R88 PolarHBondContact O-N 2.95Å; D86-R88 VanDerWaalsContact O-N 3.07Å
87	I	94.2	Very high	94.7	Very high	24 Å²	24	80.2 Å²	80.2	12%	0.123	42%	0.418	C	S	.	.			trans	-61.4	114.2	175.3	-65.1	167.7	0	0	0	109	A71 Q72 H75 P84 E85 Y100 V102	A71-I87 HydrophobicContact CB-CG2 4.43Å; Q72-I87 HydrophobicContact CG-CD1 4.22Å; H75-I87 HydrophobicContact CB-CD1 3.83Å; P84-I87 HydrophobicContact CB-CD1 4.48Å; P84-I87 WeakPolarHBondContact O-CB 3.4Å; P84-I87 WeakPolarHBondContact O-CD1 3.49Å; P84-I87 VanDerWaalsContact O-CG1 3.22Å; P84-I87 WeakPolarHBondContact O-CG1 3.26Å; P84-I87 PolarHBondContact O-N 3.45Å; E85-I87 VanDerWaalsContact C-N 3.28Å; E85-I87 PolarHBondContact O-N 3.23Å; I87-Y100 HydrophobicContact CG2-CD1 3.79Å; I87-Y100 HydrophobicContact CG2-CG 4.19Å; I87-V102 HydrophobicContact CD1-CG2 3.83Å
88	R	95.8	Very high	94.8	Very high	196 Å²	196	78.5 Å²	78.5	74%	0.74	41%	0.412	S	S	*	.			trans	-91.1	149.1	-178.2	-59.6	-168.1	-178.7	-173.5	0.9	111.8	D86 I90 Y100	D86-R88 WeakPolarHBondContact O-CG 3.46Å; D86-R88 PolarHBondContact O-N 2.95Å; D86-R88 VanDerWaalsContact O-N 3.07Å; R88-I90 PolarHBondContact O-N 2.96Å; R88-Y100 WeakPolarHBondContact O-CD1 3.33Å
89	D	98.2	Very high	94.9	Very high	31 Å²	31	77.8 Å²	77.8	17%	0.166	41%	0.408	C	S	.	.			trans	-73.6	117.7	169.6	-165.5	-14.8	0	0	0	109.2	C91 E92 C98 M99 Y100	D89-C91 PolarHBondContact O-N 3.42Å; D89-C91 PolarHBondContact OD1-N 3.43Å; D89-E92 WeakPolarHBondContact O-CB 3.48Å; D89-E92 PolarHBondContact O-N 3.24Å; D89-C98 WeakPolarHBondContact OD1-CA 3.3Å; D89-C98 WeakPolarHBondContact OD2-CA 3.48Å; D89-C98 WeakPolarHBondContact OD2-CB 3.26Å; D89-C98 PolarHBondContact OD2-SG 3.48Å; D89-M99 PolarHBondContact OD1-N 2.91Å; D89-Y100 HydrophobicContact CB-CD1 4.47Å; D89-Y100 HydrophobicContact CB-CE1 3.7Å
90	I	98.4	Very high	95.1	Very high	49 Å²	49	69.5 Å²	69.5	25%	0.251	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-25.6	177.6	-62.5	172.6	0	0	0	110.5	L41 M51 F52 R88 E92 M99 K101	L41-I90 HydrophobicContact CD1-CG2 4.42Å; L41-I90 HydrophobicContact CD2-CG2 4.28Å; M51-I90 HydrophobicContact CE-CG2 4.3Å; F52-I90 HydrophobicContact CE1-CD1 4Å; F52-I90 HydrophobicContact CZ-CD1 4.35Å; F52-I90 HydrophobicContact CZ-CG2 4.11Å; R88-I90 PolarHBondContact O-N 2.96Å; I90-E92 VanDerWaalsContact C-N 3.35Å; I90-M99 HydrophobicContact CB-CB 4.24Å; I90-M99 HydrophobicContact CB-CG 4.3Å; I90-M99 HydrophobicContact CD1-CG 4.23Å; I90-M99 HydrophobicContact CG2-SD 4.49Å; I90-M99 PolarHBondContact N-O 2.97Å; I90-K101 HydrophobicContact CD1-CB 3.76Å
91	C	97.8	Very high	95.3	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	22	179.4	-66.2	0	0	0	0	112.7	F39 D89 G93 T94 Y97 M99	F39-C91 PolarHBondContact O-SG 3.44Å; D89-C91 PolarHBondContact O-N 3.42Å; D89-C91 PolarHBondContact OD1-N 3.43Å; C91-G93 PolarHBondContact O-N 3.29Å; C91-T94 HydrophobicContact CB-CG2 4.04Å; C91-T94 WeakPolarHBondContact O-CG2 3.48Å; C91-T94 PolarHBondContact O-N 3.01Å; C91-T94 VanDerWaalsContact O-O 3.06Å; C91-Y97 WeakPolarHBondContact CB-O 3.25Å; C91-M99 VanDerWaalsContact SG-CB 3.58Å
92	E	94.7	Very high	95.5	Very high	153 Å²	153	64.2 Å²	64.2	72%	0.715	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-19	-176.6	64.8	177.7	-164.6	0	0	115.1	D89 I90 T94	D89-E92 WeakPolarHBondContact O-CB 3.48Å; D89-E92 PolarHBondContact O-N 3.24Å; I90-E92 VanDerWaalsContact C-N 3.35Å; E92-T94 PolarHBondContact O-N 3.41Å
93	G	95.1	Very high	95.7	Very high	58 Å²	58	62.3 Å²	62.3	60%	0.598	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	2	172.5	0	0	0	0	0	115.2	C91	C91-G93 PolarHBondContact O-N 3.29Å
94	T	96.7	Very high	96.1	Very high	35 Å²	35	58.8 Å²	58.8	22%	0.215	30%	0.299	C	S	.	.			trans	-147.2	163.4	177.9	-163.3	0	0	0	0	111.6	H38 C91 E92 R96	H38-T94 WeakPolarHBondContact O-CG2 3.34Å; C91-T94 HydrophobicContact CB-CG2 4.04Å; C91-T94 WeakPolarHBondContact O-CG2 3.48Å; C91-T94 PolarHBondContact O-N 3.01Å; C91-T94 VanDerWaalsContact O-O 3.06Å; E92-T94 PolarHBondContact O-N 3.41Å; T94-R96 HydrophobicContact CG2-CB 4.45Å; T94-R96 WeakPolarHBondContact OG1-CG 3.48Å
95	D	95.6	Very high	96.6	Very high	137 Å²	137	58.5 Å²	58.5	73%	0.733	30%	0.297	S	S	*	.	S	Bend	trans	-109.3	3.8	175.9	65.2	-6.7	0	0	0	112.8
96	R	97.9	Very high	97.1	Very high	150 Å²	150	52.7 Å²	52.7	57%	0.566	27%	0.27	S	S	*	.	S	Bend	trans	-73.7	-48.3	-174.2	-59.8	-57.1	-177.4	-179.6	-3.2	112.6	H38 T94	H38-R96 HydrophobicContact CB-CB 4.2Å; T94-R96 HydrophobicContact CG2-CB 4.45Å; T94-R96 WeakPolarHBondContact OG1-CG 3.48Å
97	Y	98.7	Very high	97.5	Very high	10 Å²	10	47.5 Å²	47.5	4%	0.039	24%	0.242	C	C	.	.			trans	-142.2	155.2	178.6	-55.7	-63.1	0	0	0	109.7	H38 F39 C91 S109 S116 I119 M120	H38-Y97 HydrophobicContact CB-CD2 3.83Å; H38-Y97 HydrophobicContact CB-CE2 3.63Å; F39-Y97 AromaticContact CD1-CD2 3.95Å; F39-Y97 HydrophobicContact CD1-CD2 3.95Å; F39-Y97 HydrophobicContact CD1-CG 4.45Å; F39-Y97 AromaticContact CE1-CD2 3.65Å; F39-Y97 HydrophobicContact CE1-CD2 3.65Å; F39-Y97 HydrophobicContact CE1-CG 4Å; C91-Y97 WeakPolarHBondContact CB-O 3.25Å; Y97-S109 WeakPolarHBondContact CD1-O 3.44Å; Y97-S116 PolarHBondContact OH-O 3.49Å; Y97-I119 HydrophobicContact CE2-CG2 3.97Å; Y97-I119 WeakPolarHBondContact OH-CB 3.39Å; Y97-M120 HydrophobicContact CD1-CB 4.31Å; Y97-M120 HydrophobicContact CD1-CG 4.38Å; Y97-M120 HydrophobicContact CD2-CB 4.34Å; Y97-M120 HydrophobicContact CE1-CB 3.95Å; Y97-M120 HydrophobicContact CE1-CG 4.5Å; Y97-M120 HydrophobicContact CE2-CB 3.99Å; Y97-M120 HydrophobicContact CG-CB 4.49Å; Y97-M120 HydrophobicContact CG-CG 4.4Å
98	C	98.6	Very high	97.7	Very high	22 Å²	22	46.3 Å²	46.3	15%	0.149	24%	0.236	C	C	.	.			trans	-110.4	141.9	172.6	-60	0	0	0	0	108.6	A64 D89 Y100 I108 S109	A64-C98 HydrophobicContact CB-CB 4.31Å; D89-C98 WeakPolarHBondContact OD1-CA 3.3Å; D89-C98 WeakPolarHBondContact OD2-CA 3.48Å; D89-C98 WeakPolarHBondContact OD2-CB 3.26Å; D89-C98 PolarHBondContact OD2-SG 3.48Å; C98-Y100 HydrophobicContact CB-CE2 3.79Å; C98-I108 CarbonylContact O-C 3.57Å; C98-I108 VanDerWaalsContact O-CA 3.32Å; C98-I108 WeakPolarHBondContact O-CA 3.49Å; C98-S109 PolarHBondContact N-OG 3.01Å; C98-S109 PolarHBondContact O-N 3.24Å
99	M	98.8	Very high	97.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	128.3	-179.2	-179.6	177	-55.3	0	0	110.8	F39 F52 D89 I90 C91 L106 S107 I108 L127	F39-M99 HydrophobicContact CD1-CE 3.98Å; F39-M99 HydrophobicContact CD2-CE 3.73Å; F39-M99 HydrophobicContact CE1-CE 3.91Å; F39-M99 HydrophobicContact CE2-CE 3.63Å; F39-M99 HydrophobicContact CG-CE 3.91Å; F39-M99 HydrophobicContact CZ-CE 3.74Å; F52-M99 HydrophobicContact CE1-SD 3.92Å; F52-M99 HydrophobicContact CZ-SD 4.13Å; D89-M99 PolarHBondContact OD1-N 2.91Å; I90-M99 HydrophobicContact CB-CB 4.24Å; I90-M99 HydrophobicContact CB-CG 4.3Å; I90-M99 HydrophobicContact CD1-CG 4.23Å; I90-M99 HydrophobicContact CG2-SD 4.49Å; I90-M99 PolarHBondContact N-O 2.97Å; C91-M99 VanDerWaalsContact SG-CB 3.58Å; M99-L106 HydrophobicContact CG-CD1 3.73Å; M99-L106 HydrophobicContact CG-CG 4.19Å; M99-L106 HydrophobicContact SD-CD1 3.95Å; M99-L106 HydrophobicContact SD-CD2 4.13Å; M99-L106 HydrophobicContact SD-CG 4.34Å; M99-S107 CarbonylContact C-O 3.51Å; M99-S107 WeakPolarHBondContact CA-O 3.19Å; M99-I108 HydrophobicContact CE-CD1 3.85Å; M99-I108 HydrophobicContact CE-CG1 4.18Å; M99-I108 HydrophobicContact CE-CG2 4.33Å; M99-I108 HydrophobicContact CG-CG1 4.08Å; M99-L127 HydrophobicContact CE-CD1 4.28Å; M99-L127 HydrophobicContact SD-CD1 4.33Å
100	Y	98.8	Very high	97.8	Very high	14 Å²	14	35.9 Å²	35.9	6%	0.055	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133.8	-179.2	-51.7	-75.3	0	0	0	110	K68 A71 I87 R88 D89 C98 S107	K68-Y100 VanDerWaalsContact CA-CE2 3.46Å; K68-Y100 HydrophobicContact CB-CD2 4.29Å; K68-Y100 HydrophobicContact CB-CE1 4.42Å; K68-Y100 HydrophobicContact CB-CE2 3.56Å; K68-Y100 HydrophobicContact CD-CE1 4.4Å; K68-Y100 HydrophobicContact CG-CE1 4.11Å; K68-Y100 HydrophobicContact CG-CE2 4.13Å; A71-Y100 HydrophobicContact CB-CD2 4.34Å; A71-Y100 HydrophobicContact CB-CG 4.07Å; I87-Y100 HydrophobicContact CG2-CD1 3.79Å; I87-Y100 HydrophobicContact CG2-CG 4.19Å; R88-Y100 WeakPolarHBondContact O-CD1 3.33Å; D89-Y100 HydrophobicContact CB-CD1 4.47Å; D89-Y100 HydrophobicContact CB-CE1 3.7Å; C98-Y100 HydrophobicContact CB-CE2 3.79Å; Y100-S107 PolarHBondContact N-O 3.09Å; Y100-S107 PolarHBondContact O-N 3.25Å
101	K	98.3	Very high	97.9	Very high	58 Å²	58	34.8 Å²	34.8	25%	0.252	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	132.7	177.1	-176.8	176.9	-170.2	-63.8	0	110.8	M51 F52 D54 I55 I90 G103 L106	M51-K101 VanDerWaalsContact O-CD 3.29Å; M51-K101 WeakPolarHBondContact O-CD 3.47Å; M51-K101 WeakPolarHBondContact O-CE 3.48Å; F52-K101 HydrophobicContact CD1-CD 4.45Å; D54-K101 WeakPolarHBondContact OD1-CE 3.49Å; D54-K101 IonicContact OD1-NZ 3.35Å; D54-K101 PolarHBondContact OD1-NZ 3.34Å; D54-K101 IonicContact OD2-NZ 3.02Å; D54-K101 PolarHBondContact OD2-NZ 3.42Å; I55-K101 HydrophobicContact CD1-CD 4.09Å; I55-K101 HydrophobicContact CD1-CG 3.99Å; I90-K101 HydrophobicContact CD1-CB 3.76Å; K101-G103 PolarHBondContact NZ-O 2.85Å; K101-L106 HydrophobicContact CB-CD1 3.99Å; K101-L106 HydrophobicContact CG-CD1 4.47Å
102	V	97.8	Very high	97.9	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.03	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	97.2	-177.5	-177.8	0	0	0	0	108.8	A71 M74 H75 L78 L80 I87 V105	A71-V102 HydrophobicContact CB-CG2 3.93Å; A71-V102 WeakPolarHBondContact O-CG2 3.33Å; M74-V102 HydrophobicContact CB-CG1 4.32Å; H75-V102 VanDerWaalsContact CA-CG1 3.48Å; H75-V102 HydrophobicContact CB-CG1 3.75Å; L78-V102 HydrophobicContact CD1-CG1 4.49Å; L80-V102 HydrophobicContact CD1-CB 4.48Å; L80-V102 HydrophobicContact CD1-CG1 3.42Å; L80-V102 VanDerWaalsContact CD1-CG1 3.42Å; I87-V102 HydrophobicContact CD1-CG2 3.83Å; V102-V105 PolarHBondContact N-O 3.09Å; V102-V105 WeakPolarHBondContact O-CB 3.47Å; V102-V105 PolarHBondContact O-N 3.4Å
103	G	96.6	Very high	98.1	Very high	24 Å²	24	35.3 Å²	35.3	25%	0.247	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	-127	-170.4	0	0	0	0	0	110.8	K101 V105	K101-G103 PolarHBondContact NZ-O 2.85Å; G103-V105 VanDerWaalsContact C-N 3.26Å; G103-V105 PolarHBondContact O-N 2.69Å
104	P	98.3	Very high	98.3	Very high	28 Å²	28	33.1 Å²	33.1	18%	0.182	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	8.1	178.2	36.6	-36.3	0	0	0	114	D54 K56 F57 L309	D54-P104 WeakPolarHBondContact O-CB 3.18Å; K56-P104 HydrophobicContact CB-CB 4.23Å; K56-P104 HydrophobicContact CG-CB 4.2Å; K56-P104 PolarHBondContact N-O 3.29Å; F57-P104 PolarHBondContact N-O 3.15Å; F57-P104 VanDerWaalsContact N-O 3.12Å; P104-L309 HydrophobicContact CG-CD1 3.95Å; P104-L309 HydrophobicContact CG-CD2 4.01Å
105	V	98.8	Very high	98.4	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	131.3	-178.4	-173.8	0	0	0	0	110.3	F57 F70 M74 L78 V102 G103 I305	F57-V105 HydrophobicContact CB-CG2 4.36Å; F57-V105 HydrophobicContact CD2-CG2 4.31Å; F57-V105 CarbonylContact O-C 3.56Å; F57-V105 WeakPolarHBondContact O-CA 3.28Å; F70-V105 HydrophobicContact CE1-CG1 4.35Å; M74-V105 HydrophobicContact CE-CG2 4.23Å; L78-V105 HydrophobicContact CD1-CG2 3.95Å; V102-V105 PolarHBondContact N-O 3.09Å; V102-V105 WeakPolarHBondContact O-CB 3.47Å; V102-V105 PolarHBondContact O-N 3.4Å; G103-V105 VanDerWaalsContact C-N 3.26Å; G103-V105 PolarHBondContact O-N 2.69Å; V105-I305 HydrophobicContact CG1-CD1 4.39Å; V105-I305 HydrophobicContact CG2-CD1 4.27Å; V105-I305 HydrophobicContact CG2-CG2 3.95Å
106	L	98.9	Very high	98.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	127.7	171.7	-163	63.9	0	0	0	109.4	F52 I55 F57 V58 C59 M99 K101 I108 L124	F52-L106 HydrophobicContact CD1-CD1 4.18Å; F52-L106 HydrophobicContact CD1-CD2 4.43Å; F52-L106 HydrophobicContact CE1-CD1 3.99Å; I55-L106 HydrophobicContact CD1-CB 3.95Å; I55-L106 HydrophobicContact CD1-CD1 4.44Å; I55-L106 HydrophobicContact CG1-CB 4.45Å; I55-L106 HydrophobicContact CG2-CB 4.25Å; F57-L106 PolarHBondContact O-N 3.32Å; V58-L106 CarbonylContact C-O 3.5Å; V58-L106 WeakPolarHBondContact CA-O 2.96Å; V58-L106 HydrophobicContact CG1-CB 4.33Å; V58-L106 HydrophobicContact CG2-CB 4.12Å; V58-L106 HydrophobicContact CG2-CD2 4.44Å; C59-L106 PolarHBondContact N-O 2.99Å; M99-L106 HydrophobicContact CG-CD1 3.73Å; M99-L106 HydrophobicContact CG-CG 4.19Å; M99-L106 HydrophobicContact SD-CD1 3.95Å; M99-L106 HydrophobicContact SD-CD2 4.13Å; M99-L106 HydrophobicContact SD-CG 4.34Å; K101-L106 HydrophobicContact CB-CD1 3.99Å; K101-L106 HydrophobicContact CG-CD1 4.47Å; L106-I108 HydrophobicContact CD2-CD1 3.79Å; L106-I108 HydrophobicContact CD2-CG1 4.34Å; L106-I108 HydrophobicContact CG-CD1 4.02Å; L106-I108 HydrophobicContact CG-CG1 4.02Å; L106-L124 HydrophobicContact CD2-CD1 4.08Å
107	S	98.9	Very high	98.6	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.007	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122.5	179.6	-177.1	0	0	0	0	109.7	C59 M67 M99 Y100	C59-S107 CarbonylContact O-C 3.59Å; C59-S107 VanDerWaalsContact O-CA 3.3Å; C59-S107 WeakPolarHBondContact O-CA 3Å; M67-S107 WeakPolarHBondContact CE-OG 3.31Å; M67-S107 PolarHBondContact O-OG 3.32Å; M99-S107 CarbonylContact C-O 3.51Å; M99-S107 WeakPolarHBondContact CA-O 3.19Å; Y100-S107 PolarHBondContact N-O 3.09Å; Y100-S107 PolarHBondContact O-N 3.25Å
108	I	98.9	Very high	98.6	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	133.4	-171	-45.3	171.8	0	0	0	111.5	F39 V58 C59 V60 G61 M67 C98 M99 L106 M120 L124	F39-I108 HydrophobicContact CE1-CG2 4.15Å; F39-I108 HydrophobicContact CZ-CG2 4.32Å; V58-I108 HydrophobicContact CG1-CD1 3.88Å; V58-I108 HydrophobicContact CG1-CG1 4.48Å; C59-I108 PolarHBondContact O-N 3.39Å; V60-I108 VanDerWaalsContact CA-O 3.24Å; V60-I108 WeakPolarHBondContact CA-O 3.16Å; V60-I108 HydrophobicContact CG1-CB 4.2Å; G61-I108 PolarHBondContact N-O 2.7Å; M67-I108 WeakPolarHBondContact CG-O 3.31Å; C98-I108 CarbonylContact O-C 3.57Å; C98-I108 VanDerWaalsContact O-CA 3.32Å; C98-I108 WeakPolarHBondContact O-CA 3.49Å; M99-I108 HydrophobicContact CE-CD1 3.85Å; M99-I108 HydrophobicContact CE-CG1 4.18Å; M99-I108 HydrophobicContact CE-CG2 4.33Å; M99-I108 HydrophobicContact CG-CG1 4.08Å; L106-I108 HydrophobicContact CD2-CD1 3.79Å; L106-I108 HydrophobicContact CD2-CG1 4.34Å; L106-I108 HydrophobicContact CG-CD1 4.02Å; L106-I108 HydrophobicContact CG-CG1 4.02Å; I108-M120 HydrophobicContact CD1-SD 4.46Å; I108-M120 HydrophobicContact CG2-CG 3.94Å; I108-M120 HydrophobicContact CG2-SD 4.09Å; I108-L124 HydrophobicContact CD1-CD1 3.53Å; I108-L124 HydrophobicContact CD1-CD2 3.99Å; I108-L124 HydrophobicContact CD1-CG 4.23Å
109	S	98.9	Very high	98.6	Very high	6 Å²	6	25.9 Å²	25.9	4%	0.042	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	148.7	170.2	76.3	0	0	0	0	112.1	G61 Y97 C98	G61-S109 CarbonylContact O-C 3.6Å; G61-S109 WeakPolarHBondContact O-CA 3.34Å; Y97-S109 WeakPolarHBondContact CD1-O 3.44Å; C98-S109 PolarHBondContact N-OG 3.01Å; C98-S109 PolarHBondContact O-N 3.24Å
110	H	98.8	Very high	98.6	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	16%	0.156	C	C	.	.			trans	-134.7	8.7	-179.3	70.5	58.1	0	0	0	114.9	G61 G62 S116 I117 M120 R140	G61-H110 VanDerWaalsContact CA-CD2 3.42Å; G61-H110 WeakPolarHBondContact CA-CD2 3.47Å; G61-H110 WeakPolarHBondContact CA-NE2 3.26Å; G61-H110 PolarHBondContact N-CD2 2.67Å; G61-H110 VanDerWaalsContact N-CD2 3.32Å; G61-H110 PolarHBondContact O-CD2 2.97Å; G61-H110 PolarHBondContact O-N 3.5Å; G62-H110 WeakPolarHBondContact CA-CE1 3.33Å; G62-H110 PolarHBondContact N-CE1 3.25Å; G62-H110 VanDerWaalsContact N-CE1 3.33Å; G62-H110 PolarHBondContact N-NE2 2.72Å; G62-H110 VanDerWaalsContact N-NE2 3.11Å; H110-S116 CarbonylContact O-C 3.54Å; H110-S116 WeakPolarHBondContact O-CB 3.37Å; H110-S116 PolarHBondContact O-OG 3.48Å; H110-I117 HydrophobicContact CB-CB 4.22Å; H110-I117 HydrophobicContact CB-CG1 4.03Å; H110-M120 HydrophobicContact CB-CB 4.23Å; H110-M120 HydrophobicContact CB-CE 3.72Å; H110-M120 HydrophobicContact CB-CG 4.12Å; H110-R140 PolarHBondContact CE1-NH1 3.39Å; H110-R140 PolarHBondContact NE2-NH1 2.91Å
111	G	98.6	Very high	98.6	Very high	26 Å²	26	25.2 Å²	25.2	27%	0.268	15%	0.153	S	C	.	.			trans	64.8	-147.8	-177.7	0	0	0	0	0	113.2	G62	G62-G111 WeakPolarHBondContact CA-O 3.47Å; G62-G111 WeakPolarHBondContact O-CA 3.44Å; G62-G111 PolarHBondContact O-N 3.29Å; G62-G111 VanDerWaalsContact O-N 3.14Å
112	M	98.8	Very high	98.6	Very high	157 Å²	157	27.2 Å²	27.2	77%	0.773	16%	0.163	S	C	*	.	S	Bend	trans	-125.9	141.8	-178.9	-67.6	-178.2	-66.2	0	0	111.9	S116 E252	M112-S116 WeakPolarHBondContact O-CB 3.41Å; M112-E252 VanDerWaalsContact CA-OE1 3.29Å; M112-E252 WeakPolarHBondContact CA-OE1 3.38Å
113	G	98.7	Very high	98.7	Very high	7 Å²	7	27.8 Å²	27.8	7%	0.072	17%	0.166	C	C	.	.	S	Bend	trans	87	154.5	174.8	0	0	0	0	0	114.5	P115 S116 I117 M251 E252	G113-P115 VanDerWaalsContact C-CD 3.46Å; G113-P115 VanDerWaalsContact C-N 3.34Å; G113-S116 PolarHBondContact O-N 3.32Å; G113-I117 PolarHBondContact O-N 3.38Å; G113-M251 CarbonylContact C-O 3.43Å; G113-M251 WeakPolarHBondContact CA-O 3.01Å; G113-E252 PolarHBondContact N-OE1 3.16Å
114	V	98.7	Very high	98.8	Very high	12 Å²	12	26.6 Å²	26.6	7%	0.073	15%	0.154	C	C	.	.	H	α-helix	trans	-43.4	-48.4	176.3	163.4	0	0	0	0	113.8	S116 I117 S118 F169 M251 V255	V114-S116 VanDerWaalsContact C-N 3.35Å; V114-S116 PolarHBondContact O-N 2.88Å; V114-I117 WeakPolarHBondContact O-CG2 3.37Å; V114-S118 VanDerWaalsContact O-CB 3.23Å; V114-S118 WeakPolarHBondContact O-CB 3.14Å; V114-S118 PolarHBondContact O-N 3.13Å; V114-F169 HydrophobicContact CG1-CE2 3.75Å; V114-F169 HydrophobicContact CG1-CZ 4Å; V114-M251 WeakPolarHBondContact CG2-O 3.37Å; V114-M251 PolarHBondContact N-O 3.44Å; V114-V255 HydrophobicContact CB-CG1 4.16Å; V114-V255 HydrophobicContact CG1-CB 3.98Å; V114-V255 HydrophobicContact CG1-CG1 3.92Å; V114-V255 HydrophobicContact CG1-CG2 4.45Å; V114-V255 HydrophobicContact CG2-CB 4.49Å; V114-V255 HydrophobicContact CG2-CG1 4.03Å
115	P	98.7	Very high	98.8	Very high	93 Å²	93	25.6 Å²	25.6	60%	0.604	15%	0.147	S	C	*	.	H	α-helix	trans	-61.3	-41.8	-179.2	-24.7	35.8	0	0	0	113.1	G113 S118 I119	G113-P115 VanDerWaalsContact C-CD 3.46Å; G113-P115 VanDerWaalsContact C-N 3.34Å; P115-S118 PolarHBondContact O-N 3.43Å; P115-I119 WeakPolarHBondContact O-CG1 3.03Å; P115-I119 PolarHBondContact O-N 3.24Å
116	S	98.9	Very high	98.8	Very high	29 Å²	29	27.2 Å²	27.2	20%	0.203	15%	0.154	C	C	.	.	H	α-helix	trans	-68.5	-46.2	-177.2	-174.6	0	0	0	0	111.5	Y97 H110 M112 G113 V114 S118 M120	Y97-S116 PolarHBondContact OH-O 3.49Å; H110-S116 CarbonylContact O-C 3.54Å; H110-S116 WeakPolarHBondContact O-CB 3.37Å; H110-S116 PolarHBondContact O-OG 3.48Å; M112-S116 WeakPolarHBondContact O-CB 3.41Å; G113-S116 PolarHBondContact O-N 3.32Å; V114-S116 VanDerWaalsContact C-N 3.35Å; V114-S116 PolarHBondContact O-N 2.88Å; S116-S118 VanDerWaalsContact C-N 3.32Å; S116-S118 PolarHBondContact O-N 3.29Å; S116-M120 PolarHBondContact O-N 2.88Å
117	I	98.9	Very high	98.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-70.2	-30.3	178.8	-168.9	169.3	0	0	0	112.3	H110 G113 V114 M120 L121 E252 V255 F256	H110-I117 HydrophobicContact CB-CB 4.22Å; H110-I117 HydrophobicContact CB-CG1 4.03Å; G113-I117 PolarHBondContact O-N 3.38Å; V114-I117 WeakPolarHBondContact O-CG2 3.37Å; I117-M120 HydrophobicContact CG1-CE 3.87Å; I117-M120 PolarHBondContact O-N 3.44Å; I117-L121 HydrophobicContact CD1-CD1 4.44Å; I117-L121 HydrophobicContact CG1-CD1 3.9Å; I117-L121 HydrophobicContact CG1-CG 4.09Å; I117-L121 WeakPolarHBondContact O-CB 3.47Å; I117-L121 VanDerWaalsContact O-CG 3.27Å; I117-L121 WeakPolarHBondContact O-CG 3.47Å; I117-L121 PolarHBondContact O-N 3.37Å; I117-E252 HydrophobicContact CB-CB 4.36Å; I117-E252 HydrophobicContact CB-CG 4.13Å; I117-E252 HydrophobicContact CD1-CB 3.88Å; I117-E252 HydrophobicContact CD1-CG 4.31Å; I117-E252 HydrophobicContact CG2-CB 3.8Å; I117-E252 HydrophobicContact CG2-CG 3.82Å; I117-V255 HydrophobicContact CG2-CG1 3.35Å; I117-F256 HydrophobicContact CD1-CB 4.2Å; I117-F256 HydrophobicContact CD1-CD2 4.14Å
118	S	98.8	Very high	98.8	Very high	19 Å²	19	27.2 Å²	27.2	13%	0.133	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-44.1	178.9	-177.7	0	0	0	0	112.3	V114 P115 S116 L121 H122	V114-S118 VanDerWaalsContact O-CB 3.23Å; V114-S118 WeakPolarHBondContact O-CB 3.14Å; V114-S118 PolarHBondContact O-N 3.13Å; P115-S118 PolarHBondContact O-N 3.43Å; S116-S118 VanDerWaalsContact C-N 3.32Å; S116-S118 PolarHBondContact O-N 3.29Å; S118-L121 PolarHBondContact O-N 3.44Å; S118-H122 PolarHBondContact O-CD2 3.07Å; S118-H122 VanDerWaalsContact O-CD2 3.3Å; S118-H122 PolarHBondContact O-N 3.28Å
119	I	98.9	Very high	98.7	Very high	62 Å²	62	28.7 Å²	28.7	32%	0.318	16%	0.16	S	C	.	.	H	α-helix	trans	-59.4	-51.8	175.5	-66.6	167	0	0	0	110.1	H38 Y97 P115 L121 H122 E123	H38-I119 HydrophobicContact CB-CG2 4.08Å; H38-I119 VanDerWaalsContact CG-CG2 3.47Å; H38-I119 WeakPolarHBondContact ND1-CG2 3.47Å; Y97-I119 HydrophobicContact CE2-CG2 3.97Å; Y97-I119 WeakPolarHBondContact OH-CB 3.39Å; P115-I119 WeakPolarHBondContact O-CG1 3.03Å; P115-I119 PolarHBondContact O-N 3.24Å; I119-L121 VanDerWaalsContact C-N 3.33Å; I119-L121 PolarHBondContact O-N 3.16Å; I119-H122 PolarHBondContact O-N 2.76Å; I119-E123 PolarHBondContact O-N 2.94Å
120	M	98.9	Very high	98.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-56.3	-46.7	178.4	-177.4	-73.7	-68.9	0	0	111.2	F39 V60 Y97 I108 H110 S116 I117 H122 E123 L124	F39-M120 HydrophobicContact CE1-CG 4.04Å; F39-M120 HydrophobicContact CZ-CG 3.86Å; F39-M120 HydrophobicContact CZ-SD 4.33Å; V60-M120 HydrophobicContact CB-CE 3.82Å; V60-M120 HydrophobicContact CG1-CE 3.68Å; V60-M120 HydrophobicContact CG1-SD 4.22Å; V60-M120 HydrophobicContact CG2-CE 4.08Å; Y97-M120 HydrophobicContact CD1-CB 4.31Å; Y97-M120 HydrophobicContact CD1-CG 4.38Å; Y97-M120 HydrophobicContact CD2-CB 4.34Å; Y97-M120 HydrophobicContact CE1-CB 3.95Å; Y97-M120 HydrophobicContact CE1-CG 4.5Å; Y97-M120 HydrophobicContact CE2-CB 3.99Å; Y97-M120 HydrophobicContact CG-CB 4.49Å; Y97-M120 HydrophobicContact CG-CG 4.4Å; I108-M120 HydrophobicContact CD1-SD 4.46Å; I108-M120 HydrophobicContact CG2-CG 3.94Å; I108-M120 HydrophobicContact CG2-SD 4.09Å; H110-M120 HydrophobicContact CB-CB 4.23Å; H110-M120 HydrophobicContact CB-CE 3.72Å; H110-M120 HydrophobicContact CB-CG 4.12Å; S116-M120 PolarHBondContact O-N 2.88Å; I117-M120 HydrophobicContact CG1-CE 3.87Å; I117-M120 PolarHBondContact O-N 3.44Å; M120-H122 PolarHBondContact O-N 3.05Å; M120-E123 PolarHBondContact O-N 2.91Å; M120-L124 WeakPolarHBondContact O-CB 3.49Å; M120-L124 PolarHBondContact O-N 3.05Å; M120-L124 HydrophobicContact SD-CB 4.05Å; M120-L124 HydrophobicContact SD-CD2 3.88Å
121	L	98.9	Very high	98.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.6	-40	179.6	-75.6	169.7	0	0	0	112.7	I117 S118 I119 E123 L124 I125 L138 F256 M259	I117-L121 HydrophobicContact CD1-CD1 4.44Å; I117-L121 HydrophobicContact CG1-CD1 3.9Å; I117-L121 HydrophobicContact CG1-CG 4.09Å; I117-L121 WeakPolarHBondContact O-CB 3.47Å; I117-L121 VanDerWaalsContact O-CG 3.27Å; I117-L121 WeakPolarHBondContact O-CG 3.47Å; I117-L121 PolarHBondContact O-N 3.37Å; S118-L121 PolarHBondContact O-N 3.44Å; I119-L121 VanDerWaalsContact C-N 3.33Å; I119-L121 PolarHBondContact O-N 3.16Å; L121-E123 PolarHBondContact O-N 3.05Å; L121-L124 HydrophobicContact CD2-CD2 4.38Å; L121-L124 PolarHBondContact O-N 3.07Å; L121-I125 WeakPolarHBondContact O-CB 3.34Å; L121-I125 WeakPolarHBondContact O-CD1 3.37Å; L121-I125 WeakPolarHBondContact O-CG1 3.25Å; L121-I125 PolarHBondContact O-N 2.85Å; L121-L138 HydrophobicContact CD2-CD2 4.28Å; L121-F256 HydrophobicContact CD1-CB 4.22Å; L121-F256 HydrophobicContact CD1-CD2 4.1Å; L121-F256 HydrophobicContact CD2-CD2 3.99Å; L121-F256 HydrophobicContact CD2-CE2 4.31Å; L121-M259 HydrophobicContact CB-CE 3.62Å; L121-M259 HydrophobicContact CB-SD 3.78Å; L121-M259 HydrophobicContact CD1-CB 4.41Å; L121-M259 HydrophobicContact CD1-SD 3.91Å
122	H	98.8	Very high	98.6	Very high	100 Å²	100	37.6 Å²	37.6	46%	0.463	19%	0.187	S	C	.	.	H	α-helix	trans	-59.9	-47.3	177.2	-93	-67.1	0	0	0	111.3	S118 I119 M120 K126 M259	S118-H122 PolarHBondContact O-CD2 3.07Å; S118-H122 VanDerWaalsContact O-CD2 3.3Å; S118-H122 PolarHBondContact O-N 3.28Å; I119-H122 PolarHBondContact O-N 2.76Å; M120-H122 PolarHBondContact O-N 3.05Å; H122-K126 WeakPolarHBondContact O-CG 3.37Å; H122-K126 PolarHBondContact O-N 2.83Å; H122-M259 HydrophobicContact CB-CE 4.24Å; H122-M259 WeakPolarHBondContact CD2-CE 3.39Å
123	E	98.9	Very high	98.6	Very high	16 Å²	16	30.1 Å²	30.1	8%	0.075	15%	0.15	C	C	.	.	H	α-helix	trans	-71.9	-37.7	178.9	-67.1	-169.2	-173.3	0	0	112.2	L36 Y37 H38 F39 I119 M120 L121 K126 L127	L36-E123 WeakPolarHBondContact CA-OE2 3.37Å; L36-E123 HydrophobicContact CB-CB 4.28Å; L36-E123 HydrophobicContact CB-CG 4.35Å; L36-E123 HydrophobicContact CD2-CB 4.32Å; L36-E123 HydrophobicContact CD2-CG 4.4Å; Y37-E123 PolarHBondContact N-OE1 2.74Å; Y37-E123 PolarHBondContact N-OE2 3.01Å; H38-E123 IonicContact CE1-OE1 2.68Å; H38-E123 IonicContact CG-OE1 3.77Å; H38-E123 PolarHBondContact N-OE1 2.84Å; H38-E123 VanDerWaalsContact N-OE1 3.09Å; H38-E123 PolarHBondContact N-OE2 2.82Å; H38-E123 IonicContact ND1-OE1 3.55Å; H38-E123 PolarHBondContact ND1-OE1 2.98Å; F39-E123 HydrophobicContact CD2-CB 3.7Å; F39-E123 HydrophobicContact CE2-CB 3.55Å; F39-E123 HydrophobicContact CZ-CB 4.24Å; F39-E123 PolarHBondContact N-OE2 3.25Å; F39-E123 VanDerWaalsContact N-OE2 3.12Å; I119-E123 PolarHBondContact O-N 2.94Å; M120-E123 PolarHBondContact O-N 2.91Å; L121-E123 PolarHBondContact O-N 3.05Å; E123-K126 PolarHBondContact O-N 3.35Å; E123-L127 WeakPolarHBondContact O-CB 3.45Å; E123-L127 PolarHBondContact O-N 3.44Å
124	L	98.9	Very high	98.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.1	-48.4	177	170.5	61	0	0	0	111.9	F39 V58 V60 L106 I108 M120 L121 K126 L127 L128 L138	F39-L124 HydrophobicContact CE2-CB 4.24Å; F39-L124 HydrophobicContact CZ-CB 4.36Å; V58-L124 HydrophobicContact CG1-CD1 4.17Å; V58-L124 HydrophobicContact CG1-CD2 3.76Å; V60-L124 HydrophobicContact CG1-CD2 4.37Å; L106-L124 HydrophobicContact CD2-CD1 4.08Å; I108-L124 HydrophobicContact CD1-CD1 3.53Å; I108-L124 HydrophobicContact CD1-CD2 3.99Å; I108-L124 HydrophobicContact CD1-CG 4.23Å; M120-L124 WeakPolarHBondContact O-CB 3.49Å; M120-L124 PolarHBondContact O-N 3.05Å; M120-L124 HydrophobicContact SD-CB 4.05Å; M120-L124 HydrophobicContact SD-CD2 3.88Å; L121-L124 HydrophobicContact CD2-CD2 4.38Å; L121-L124 PolarHBondContact O-N 3.07Å; L124-K126 VanDerWaalsContact C-N 3.29Å; L124-K126 PolarHBondContact O-N 2.81Å; L124-L127 WeakPolarHBondContact O-CB 3.47Å; L124-L127 PolarHBondContact O-N 2.91Å; L124-L127 VanDerWaalsContact O-N 3.15Å; L124-L128 HydrophobicContact CD1-CD1 4.02Å; L124-L128 HydrophobicContact CD1-CD2 4.41Å; L124-L128 HydrophobicContact CD1-CG 3.97Å; L124-L128 HydrophobicContact CG-CD1 4.17Å; L124-L128 HydrophobicContact CG-CG 4.49Å; L124-L128 WeakPolarHBondContact O-CG 3.14Å; L124-L128 PolarHBondContact O-N 2.67Å; L124-L138 HydrophobicContact CD2-CD2 4.17Å
125	I	98.8	Very high	98.2	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-65.1	-38.8	-177.5	-65.5	167.6	0	0	0	110	V21 V23 L121 L128 H129 M259 C263 L265	V21-I125 HydrophobicContact CG1-CG2 4.19Å; V23-I125 HydrophobicContact CG1-CG2 4.13Å; L121-I125 WeakPolarHBondContact O-CB 3.34Å; L121-I125 WeakPolarHBondContact O-CD1 3.37Å; L121-I125 WeakPolarHBondContact O-CG1 3.25Å; L121-I125 PolarHBondContact O-N 2.85Å; I125-L128 PolarHBondContact O-N 2.62Å; I125-H129 WeakPolarHBondContact O-CB 3.21Å; I125-H129 PolarHBondContact O-N 2.99Å; I125-M259 HydrophobicContact CD1-CB 4.35Å; I125-M259 HydrophobicContact CD1-CE 4.34Å; I125-C263 HydrophobicContact CD1-CB 4.47Å; I125-C263 HydrophobicContact CG2-CB 4.16Å; I125-L265 HydrophobicContact CD1-CD1 4.2Å; I125-L265 HydrophobicContact CG1-CD1 3.85Å; I125-L265 HydrophobicContact CG2-CD1 4.44Å
126	K	98.6	Very high	98.2	Very high	37 Å²	37	34 Å²	34	16%	0.161	16%	0.155	C	C	.	.	H	α-helix	trans	-63.1	-43.8	171.7	-70.1	-169.1	-52.7	160.1	0	112	L28 D34 L36 H122 E123 L124 L128 H129 H130	L28-K126 HydrophobicContact CD1-CD 4Å; L28-K126 HydrophobicContact CD1-CG 3.98Å; L28-K126 HydrophobicContact CD2-CD 3.61Å; L28-K126 HydrophobicContact CD2-CG 4.44Å; L28-K126 HydrophobicContact CG-CD 4.47Å; D34-K126 IonicContact OD1-NZ 3.79Å; D34-K126 PolarHBondContact OD1-NZ 2.93Å; D34-K126 WeakPolarHBondContact OD2-CD 3.28Å; D34-K126 WeakPolarHBondContact OD2-CE 3.31Å; D34-K126 IonicContact OD2-NZ 2.72Å; D34-K126 PolarHBondContact OD2-NZ 3.03Å; L36-K126 HydrophobicContact CD2-CB 4.11Å; L36-K126 VanDerWaalsContact CD2-CE 3.48Å; H122-K126 WeakPolarHBondContact O-CG 3.37Å; H122-K126 PolarHBondContact O-N 2.83Å; E123-K126 PolarHBondContact O-N 3.35Å; L124-K126 VanDerWaalsContact C-N 3.29Å; L124-K126 PolarHBondContact O-N 2.81Å; K126-L128 PolarHBondContact O-N 2.83Å; K126-H129 WeakPolarHBondContact O-CB 3.49Å; K126-H129 PolarHBondContact O-N 2.96Å; K126-H130 WeakPolarHBondContact O-CB 3.3Å; K126-H130 PolarHBondContact O-CD2 3.11Å; K126-H130 PolarHBondContact O-N 3.44Å
127	L	98.8	Very high	98.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-56.3	-50.7	176	-179.7	151	0	0	0	111.4	L36 F39 L41 F52 M99 E123 L124 H129 H130 A131	L36-L127 HydrophobicContact CD1-CB 3.7Å; L36-L127 HydrophobicContact CD1-CD1 4.09Å; L36-L127 HydrophobicContact CD1-CG 4.3Å; F39-L127 HydrophobicContact CD2-CD1 4.46Å; L41-L127 HydrophobicContact CD1-CD1 3.66Å; F52-L127 HydrophobicContact CB-CD2 4.01Å; F52-L127 HydrophobicContact CD1-CD2 4Å; F52-L127 HydrophobicContact CD2-CD1 4.23Å; F52-L127 HydrophobicContact CD2-CD2 3.85Å; F52-L127 HydrophobicContact CD2-CG 4.1Å; F52-L127 HydrophobicContact CE1-CD1 4.44Å; F52-L127 HydrophobicContact CE1-CD2 4.4Å; F52-L127 HydrophobicContact CE2-CD1 3.86Å; F52-L127 HydrophobicContact CE2-CD2 4.29Å; F52-L127 HydrophobicContact CE2-CG 4.23Å; F52-L127 HydrophobicContact CG-CD2 3.69Å; F52-L127 HydrophobicContact CG-CG 4.45Å; F52-L127 HydrophobicContact CZ-CD1 3.96Å; M99-L127 HydrophobicContact CE-CD1 4.28Å; M99-L127 HydrophobicContact SD-CD1 4.33Å; E123-L127 WeakPolarHBondContact O-CB 3.45Å; E123-L127 PolarHBondContact O-N 3.44Å; L124-L127 WeakPolarHBondContact O-CB 3.47Å; L124-L127 PolarHBondContact O-N 2.91Å; L124-L127 VanDerWaalsContact O-N 3.15Å; L127-H129 VanDerWaalsContact C-N 3.29Å; L127-H129 PolarHBondContact O-N 2.94Å; L127-H130 PolarHBondContact O-N 3.42Å; L127-A131 WeakPolarHBondContact O-CB 3.43Å; L127-A131 PolarHBondContact O-N 2.8Å
128	L	98.7	Very high	98.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.2	-36.3	178.8	-65	173.9	0	0	0	112.1	V21 I55 V58 L124 I125 K126 R132 C133 V136 L138	V21-L128 HydrophobicContact CB-CB 4.22Å; V21-L128 HydrophobicContact CG1-CB 4.04Å; V21-L128 HydrophobicContact CG2-CB 4.05Å; I55-L128 HydrophobicContact CB-CD2 4.4Å; I55-L128 HydrophobicContact CG2-CD2 3.99Å; V58-L128 HydrophobicContact CG2-CD1 4.24Å; V58-L128 HydrophobicContact CG2-CD2 4.24Å; L124-L128 HydrophobicContact CD1-CD1 4.02Å; L124-L128 HydrophobicContact CD1-CD2 4.41Å; L124-L128 HydrophobicContact CD1-CG 3.97Å; L124-L128 HydrophobicContact CG-CD1 4.17Å; L124-L128 HydrophobicContact CG-CG 4.49Å; L124-L128 WeakPolarHBondContact O-CG 3.14Å; L124-L128 PolarHBondContact O-N 2.67Å; I125-L128 PolarHBondContact O-N 2.62Å; K126-L128 PolarHBondContact O-N 2.83Å; L128-R132 PolarHBondContact O-N 2.98Å; L128-C133 HydrophobicContact CB-CB 4.26Å; L128-C133 HydrophobicContact CD2-CB 4.24Å; L128-C133 WeakPolarHBondContact O-CB 3.47Å; L128-C133 PolarHBondContact O-N 2.8Å; L128-V136 HydrophobicContact CD1-CG1 4.18Å; L128-L138 HydrophobicContact CD1-CD1 4.43Å
129	H	97.9	Very high	98.1	Very high	31 Å²	31	32.4 Å²	32.4	14%	0.144	14%	0.143	C	C	.	.	H	α-helix	trans	-64.7	-51.9	175.1	175.3	75	0	0	0	111.9	V21 V23 I125 K126 L127 A131 R132	V21-H129 HydrophobicContact CG1-CB 4.49Å; V21-H129 PolarHBondContact O-ND1 3.02Å; V23-H129 HydrophobicContact CG1-CB 3.74Å; I125-H129 WeakPolarHBondContact O-CB 3.21Å; I125-H129 PolarHBondContact O-N 2.99Å; K126-H129 WeakPolarHBondContact O-CB 3.49Å; K126-H129 PolarHBondContact O-N 2.96Å; L127-H129 VanDerWaalsContact C-N 3.29Å; L127-H129 PolarHBondContact O-N 2.94Å; H129-A131 VanDerWaalsContact C-N 3.28Å; H129-A131 PolarHBondContact O-N 2.93Å; H129-R132 WeakPolarHBondContact O-CA 3.32Å; H129-R132 PolarHBondContact O-N 3.29Å
130	H	98.1	Very high	98.1	Very high	44 Å²	44	29.8 Å²	29.8	20%	0.204	13%	0.129	C	C	.	.	H	α-helix	trans	-61.9	-36.8	177.7	-70.3	-47.8	0	0	0	112.1	D34 T43 L48 K126 L127 R132	D34-H130 IonicContact OD2-CD2 3.54Å; D34-H130 IonicContact OD2-CE1 3.58Å; D34-H130 IonicContact OD2-NE2 2.59Å; D34-H130 PolarHBondContact OD2-NE2 3.42Å; T43-H130 HydrophobicContact CG2-CB 4.44Å; L48-H130 HydrophobicContact CB-CB 4.45Å; L48-H130 HydrophobicContact CD1-CB 3.71Å; K126-H130 WeakPolarHBondContact O-CB 3.3Å; K126-H130 PolarHBondContact O-CD2 3.11Å; K126-H130 PolarHBondContact O-N 3.44Å; L127-H130 PolarHBondContact O-N 3.42Å; H130-R132 PolarHBondContact O-N 2.8Å
131	A	98.3	Very high	98.1	Very high	2 Å²	2	30 Å²	30	2%	0.017	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-6	174.5	0	0	0	0	0	114.1	L48 F52 G53 L127 H129 C133	L48-A131 HydrophobicContact CB-CB 4.42Å; L48-A131 WeakPolarHBondContact O-CB 3.31Å; F52-A131 HydrophobicContact CB-CB 3.68Å; G53-A131 WeakPolarHBondContact CA-O 3.37Å; L127-A131 WeakPolarHBondContact O-CB 3.43Å; L127-A131 PolarHBondContact O-N 2.8Å; H129-A131 VanDerWaalsContact C-N 3.28Å; H129-A131 PolarHBondContact O-N 2.93Å; A131-C133 PolarHBondContact O-N 2.9Å
132	R	97.3	Very high	98.1	Very high	174 Å²	174	30.1 Å²	30.1	66%	0.657	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	32	-179.3	-49.3	179.8	-179.8	-179.9	-1.1	113.5	L128 H129 H130	L128-R132 PolarHBondContact O-N 2.98Å; H129-R132 WeakPolarHBondContact O-CA 3.32Å; H129-R132 PolarHBondContact O-N 3.29Å; H130-R132 PolarHBondContact O-N 2.8Å
133	C	98	Very high	98.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	12%	0.123	C	C	.	.			trans	-61.3	150.5	177.2	-59.3	0	0	0	0	111.1	Q20 V21 F52 L128 A131 V136	Q20-C133 WeakPolarHBondContact CA-O 3.47Å; V21-C133 HydrophobicContact CG2-CB 4.18Å; V21-C133 PolarHBondContact N-O 2.84Å; F52-C133 PolarHBondContact O-SG 3.49Å; L128-C133 HydrophobicContact CB-CB 4.26Å; L128-C133 HydrophobicContact CD2-CB 4.24Å; L128-C133 WeakPolarHBondContact O-CB 3.47Å; L128-C133 PolarHBondContact O-N 2.8Å; A131-C133 PolarHBondContact O-N 2.9Å; C133-V136 HydrophobicContact CB-CG2 3.54Å
134	R	96.1	Very high	98.1	Very high	125 Å²	125	27.2 Å²	27.2	47%	0.472	12%	0.122	S	C	.	.	B	Isolated β-bridge	trans	-135.8	145.7	-179.5	-57.4	-175.4	178.3	176.1	-2.7	110.3	K18 Q19 Q20 K56 V136	K18-R134 HydrophobicContact CB-CB 4.44Å; Q19-R134 WeakPolarHBondContact O-CA 3.48Å; Q20-R134 HydrophobicContact CB-CG 4.2Å; K56-R134 PolarHBondContact NZ-O 3.03Å; R134-V136 VanDerWaalsContact C-N 3.29Å; R134-V136 PolarHBondContact O-N 2.8Å
135	D	93.7	Very high	98.1	Very high	65 Å²	65	27.5 Å²	27.5	35%	0.348	13%	0.125	S	C	.	.	S	Bend	trans	51.7	45	178.4	-41.7	-47.9	0	0	0	113.1	K18 Q19	K18-D135 WeakPolarHBondContact CA-OD1 3.11Å; K18-D135 WeakPolarHBondContact CB-OD1 3.15Å; K18-D135 WeakPolarHBondContact CB-OD2 3.38Å; K18-D135 WeakPolarHBondContact CD-OD2 3.48Å; K18-D135 VanDerWaalsContact CE-OD2 3.28Å; K18-D135 WeakPolarHBondContact CE-OD2 3.31Å; K18-D135 WeakPolarHBondContact CG-OD2 3.24Å; K18-D135 IonicContact NZ-OD2 2.83Å; Q19-D135 PolarHBondContact N-OD1 2.76Å; Q19-D135 PolarHBondContact O-N 3.2Å
136	V	97.5	Very high	98.1	Very high	5 Å²	5	27.2 Å²	27.2	3%	0.03	12%	0.124	C	C	.	.			trans	-82.3	134.1	179.2	-169.6	0	0	0	0	109.5	V21 I55 K56 V58 L128 C133 R134 L138 L265	V21-V136 HydrophobicContact CG2-CB 4.36Å; V21-V136 HydrophobicContact CG2-CG2 3.86Å; I55-V136 HydrophobicContact CG2-CG1 4.34Å; K56-V136 WeakPolarHBondContact O-CA 3.27Å; V58-V136 HydrophobicContact CG2-CG1 3.72Å; L128-V136 HydrophobicContact CD1-CG1 4.18Å; C133-V136 HydrophobicContact CB-CG2 3.54Å; R134-V136 VanDerWaalsContact C-N 3.29Å; R134-V136 PolarHBondContact O-N 2.8Å; V136-L138 HydrophobicContact CB-CD1 4.41Å; V136-L138 HydrophobicContact CG1-CD1 3.81Å; V136-L265 HydrophobicContact CB-CD2 4.45Å
137	V	98.5	Very high	98.1	Very high	13 Å²	13	25.4 Å²	25.4	8%	0.079	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129	170.5	-169.3	0	0	0	0	109.6	K56 F57 V58 F139 V188 K266	K56-V137 PolarHBondContact O-N 3.41Å; F57-V137 WeakPolarHBondContact CA-O 3.21Å; F57-V137 HydrophobicContact CD1-CB 4.33Å; V58-V137 PolarHBondContact N-O 3.42Å; V137-F139 HydrophobicContact CB-CE2 3.89Å; V137-F139 HydrophobicContact CB-CZ 4.05Å; V137-F139 HydrophobicContact CG1-CD2 4.42Å; V137-F139 HydrophobicContact CG1-CE1 4.02Å; V137-F139 HydrophobicContact CG1-CE2 3.63Å; V137-F139 HydrophobicContact CG1-CZ 3.38Å; V137-V188 HydrophobicContact CG1-CG1 4.33Å; V137-V188 HydrophobicContact CG1-CG2 4.42Å; V137-K266 WeakPolarHBondContact CA-O 3.46Å; V137-K266 HydrophobicContact CG1-CB 4.21Å; V137-K266 HydrophobicContact CG2-CB 4.28Å
138	L	98.8	Very high	98.1	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.1	179.4	-81.4	67.1	0	0	0	110.4	V58 L121 L124 L128 V136 F256 L265 K266 A267 A268	V58-L138 HydrophobicContact CB-CD1 4.47Å; V58-L138 HydrophobicContact CB-CG 4.13Å; V58-L138 CarbonylContact O-C 3.58Å; V58-L138 WeakPolarHBondContact O-CA 3.46Å; L121-L138 HydrophobicContact CD2-CD2 4.28Å; L124-L138 HydrophobicContact CD2-CD2 4.17Å; L128-L138 HydrophobicContact CD1-CD1 4.43Å; V136-L138 HydrophobicContact CB-CD1 4.41Å; V136-L138 HydrophobicContact CG1-CD1 3.81Å; L138-F256 HydrophobicContact CB-CE2 4.19Å; L138-F256 HydrophobicContact CB-CZ 3.89Å; L138-L265 HydrophobicContact CD1-CB 4.38Å; L138-L265 HydrophobicContact CD1-CD1 4.07Å; L138-L265 HydrophobicContact CD1-CD2 4.15Å; L138-L265 HydrophobicContact CD1-CG 4.45Å; L138-L265 HydrophobicContact CD2-CD1 4.12Å; L138-K266 PolarHBondContact N-O 2.85Å; L138-A267 HydrophobicContact CB-CB 4.18Å; L138-A267 CarbonylContact O-C 3.56Å; L138-A267 WeakPolarHBondContact O-CA 3.19Å; L138-A268 PolarHBondContact O-N 3.41Å
139	F	98.9	Very high	98.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	126.6	176	-60.2	-82.7	0	0	0	110.1	F57 V58 C59 V60 V137 L141 V188 L192 A268 V301 F304	F57-F139 HydrophobicContact CD1-CE2 4.03Å; V58-F139 PolarHBondContact O-N 3.11Å; C59-F139 CarbonylContact C-O 3.55Å; C59-F139 WeakPolarHBondContact CA-O 3.3Å; V60-F139 PolarHBondContact N-O 3.15Å; V137-F139 HydrophobicContact CB-CE2 3.89Å; V137-F139 HydrophobicContact CB-CZ 4.05Å; V137-F139 HydrophobicContact CG1-CD2 4.42Å; V137-F139 HydrophobicContact CG1-CE1 4.02Å; V137-F139 HydrophobicContact CG1-CE2 3.63Å; V137-F139 HydrophobicContact CG1-CZ 3.38Å; F139-L141 HydrophobicContact CB-CD2 4.23Å; F139-V188 HydrophobicContact CE1-CG1 3.91Å; F139-V188 HydrophobicContact CZ-CG1 4.42Å; F139-L192 HydrophobicContact CD1-CD1 4.44Å; F139-L192 HydrophobicContact CE1-CD1 4.13Å; F139-L192 HydrophobicContact CE1-CD2 4.31Å; F139-A268 WeakPolarHBondContact CA-O 3.38Å; F139-A268 HydrophobicContact CD1-CB 3.97Å; F139-A268 HydrophobicContact CE1-CB 4.15Å; F139-V301 HydrophobicContact CB-CG1 4.07Å; F139-V301 HydrophobicContact CB-CG2 4.48Å; F139-V301 HydrophobicContact CD1-CG1 4.08Å; F139-V301 HydrophobicContact CD1-CG2 4.06Å; F139-V301 HydrophobicContact CD2-CG1 3.85Å; F139-V301 HydrophobicContact CE2-CG1 4.31Å; F139-V301 HydrophobicContact CG-CG1 3.72Å; F139-V301 HydrophobicContact CG-CG2 4.34Å; F139-F304 HydrophobicContact CE1-CD1 4.37Å; F139-F304 HydrophobicContact CE1-CE1 4.38Å; F139-F304 HydrophobicContact CE2-CD1 4.33Å; F139-F304 HydrophobicContact CE2-CE1 4.28Å; F139-F304 AromaticContact CZ-CD1 3.64Å; F139-F304 HydrophobicContact CZ-CD1 3.64Å; F139-F304 AromaticContact CZ-CE1 3.5Å; F139-F304 HydrophobicContact CZ-CE1 3.5Å; F139-F304 VanDerWaalsContact CZ-CE1 3.5Å; F139-F304 HydrophobicContact CZ-CG 4.36Å; F139-F304 HydrophobicContact CZ-CZ 4.04Å
140	R	98.9	Very high	98.1	Very high	7 Å²	7	29.6 Å²	29.6	3%	0.026	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.9	165.1	174.6	-178.9	163.7	65.5	13.3	109.2	V60 H110 E250 E252 F256 A268 V269 V270	V60-R140 HydrophobicContact CG2-CB 4.17Å; V60-R140 CarbonylContact O-C 3.59Å; V60-R140 WeakPolarHBondContact O-CA 3.26Å; H110-R140 PolarHBondContact CE1-NH1 3.39Å; H110-R140 PolarHBondContact NE2-NH1 2.91Å; R140-E250 IonicContact CZ-OE2 2.88Å; R140-E250 IonicContact NE-OE2 3.72Å; R140-E250 PolarHBondContact NE-OE2 2.86Å; R140-E250 IonicContact NH2-OE2 3.94Å; R140-E250 PolarHBondContact NH2-OE2 3.04Å; R140-E252 IonicContact CZ-OE2 2.94Å; R140-E252 IonicContact NH1-OE2 2.67Å; R140-E252 VanDerWaalsContact NH2-CD 3.34Å; R140-E252 IonicContact NH2-OE2 3.28Å; R140-E252 PolarHBondContact NH2-OE2 3.32Å; R140-F256 HydrophobicContact CB-CD1 4.29Å; R140-F256 HydrophobicContact CB-CD2 4.32Å; R140-F256 HydrophobicContact CB-CE1 4.03Å; R140-F256 HydrophobicContact CB-CE2 4.1Å; R140-F256 HydrophobicContact CB-CG 4.42Å; R140-F256 HydrophobicContact CB-CZ 3.94Å; R140-A268 PolarHBondContact N-O 2.53Å; R140-V269 HydrophobicContact CB-CB 4.35Å; R140-V269 HydrophobicContact CB-CG1 4.24Å; R140-V269 HydrophobicContact CB-CG2 4.02Å; R140-V269 HydrophobicContact CG-CG1 4.18Å; R140-V270 PolarHBondContact O-N 3.42Å
141	L	98.9	Very high	98.1	Very high	4 Å²	4	30 Å²	30	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	108.2	177.4	-51.4	-175.9	0	0	0	109.5	C59 V60 G61 F70 F139 V270 P297 Q298 V301	C59-L141 HydrophobicContact CB-CD1 3.98Å; C59-L141 HydrophobicContact CB-CG 4.39Å; V60-L141 PolarHBondContact O-N 3.12Å; G61-L141 WeakPolarHBondContact CA-O 3.43Å; F70-L141 HydrophobicContact CD1-CD1 4.26Å; F70-L141 HydrophobicContact CD2-CD1 4.13Å; F70-L141 HydrophobicContact CE1-CD1 4.15Å; F70-L141 HydrophobicContact CE2-CD1 3.98Å; F70-L141 HydrophobicContact CG-CD1 4.25Å; F70-L141 HydrophobicContact CZ-CD1 3.98Å; F139-L141 HydrophobicContact CB-CD2 4.23Å; L141-V270 WeakPolarHBondContact CA-O 3.38Å; L141-P297 HydrophobicContact CD2-CB 4.39Å; L141-Q298 HydrophobicContact CD1-CG 4.04Å; L141-V301 HydrophobicContact CD2-CB 3.9Å; L141-V301 HydrophobicContact CD2-CG1 4.27Å; L141-V301 HydrophobicContact CD2-CG2 3.52Å
142	G	98.6	Very high	98.2	Very high	4 Å²	4	29.9 Å²	29.9	4%	0.041	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	177.7	-167.2	0	0	0	0	0	115.9	V270 C271 V272	G142-V270 PolarHBondContact N-O 2.85Å; G142-C271 VanDerWaalsContact CA-SG 3.59Å; G142-C271 VanDerWaalsContact O-CA 3.31Å; G142-C271 WeakPolarHBondContact O-CA 3.35Å; G142-V272 PolarHBondContact O-N 3.39Å; G142-V272 VanDerWaalsContact O-N 3.07Å
143	T	98.8	Very high	98.2	Very high	46 Å²	46	21.9 Å²	21.9	28%	0.282	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	153.6	169.2	54	0	0	0	0	108.3	V272 L274 Q294	T143-V272 CarbonylContact C-O 3.57Å; T143-V272 WeakPolarHBondContact CA-O 3.18Å; T143-V272 HydrophobicContact CG2-CG1 4.11Å; T143-L274 HydrophobicContact CG2-CD1 4.02Å; T143-L274 HydrophobicContact CG2-CD2 4.11Å; T143-L274 HydrophobicContact CG2-CG 4.25Å; T143-Q294 HydrophobicContact CG2-CG 3.84Å
144	S	98.9	Very high	98.3	Very high	8 Å²	8	21.9 Å²	21.9	6%	0.056	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	164.5	-175.8	56.7	0	0	0	0	111.7	N248 I249 V272 A273 L274	S144-N248 WeakPolarHBondContact CB-ND2 3.5Å; S144-N248 WeakPolarHBondContact OG-CB 3.39Å; S144-N248 PolarHBondContact OG-ND2 3.19Å; S144-I249 CarbonylContact C-O 3.52Å; S144-I249 VanDerWaalsContact CA-O 3.28Å; S144-I249 WeakPolarHBondContact CA-O 3.38Å; S144-I249 WeakPolarHBondContact CB-O 3.29Å; S144-V272 PolarHBondContact N-O 3.49Å; S144-V272 PolarHBondContact OG-O 2.6Å; S144-V272 VanDerWaalsContact OG-O 3.05Å; S144-A273 CarbonylContact O-C 3.59Å; S144-A273 WeakPolarHBondContact O-CA 3.34Å; S144-L274 PolarHBondContact O-N 3.12Å
145	G	98.9	Very high	98.4	Very high	6 Å²	6	15.9 Å²	15.9	6%	0.062	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	123.4	163.6	0	0	0	0	0	109.8	N248 I249	G145-N248 CarbonylContact O-C 3.52Å; G145-N248 WeakPolarHBondContact O-CA 3.39Å; G145-N248 WeakPolarHBondContact O-CB 3.36Å; G145-I249 PolarHBondContact N-O 2.94Å; G145-I249 PolarHBondContact O-N 3.19Å
146	G	98.9	Very high	98.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	148.3	176.2	0	0	0	0	0	111.8	L275 R277	G146-L275 WeakPolarHBondContact CA-O 3.43Å; G146-L275 PolarHBondContact N-O 3.33Å; G146-R277 WeakPolarHBondContact O-CB 3.3Å; G146-R277 WeakPolarHBondContact O-CG 3.28Å; G146-R277 PolarHBondContact O-N 2.7Å
147	V	98.8	Very high	98.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-118.5	101.9	174.3	-173.3	0	0	0	0	107.1	L149 Y242 V246 R247 I249 F278	V147-L149 VanDerWaalsContact C-N 3.33Å; V147-Y242 HydrophobicContact CG1-CD2 4.13Å; V147-Y242 HydrophobicContact CG1-CG 4.5Å; V147-Y242 WeakPolarHBondContact O-CD2 3.38Å; V147-V246 HydrophobicContact CG2-CG1 4.36Å; V147-R247 PolarHBondContact N-O 2.8Å; V147-I249 HydrophobicContact CG2-CD1 3.75Å; V147-I249 HydrophobicContact CG2-CG1 3.72Å; V147-F278 HydrophobicContact CG1-CE2 3.64Å; V147-F278 HydrophobicContact CG1-CZ 3.88Å
148	G	98.3	Very high	98.7	Very high	33 Å²	33	14.1 Å²	14.1	34%	0.34	10%	0.099	S	C	.	.	S	Bend	trans	72.9	25.5	-177.3	0	0	0	0	0	113.6	N276	G148-N276 PolarHBondContact N-OD1 3.11Å
149	L	98.4	Very high	98.7	Very high	22 Å²	22	17.5 Å²	17.5	12%	0.115	11%	0.114	C	C	.	.			trans	-123.9	144.7	179.4	-66.5	-176.7	0	0	0	111	V147 T153 V155 V205 R247 N276	V147-L149 VanDerWaalsContact C-N 3.33Å; L149-T153 HydrophobicContact CD1-CG2 3.94Å; L149-T153 HydrophobicContact CD2-CG2 4.32Å; L149-V155 HydrophobicContact CD1-CG2 3.44Å; L149-V155 VanDerWaalsContact CD1-CG2 3.44Å; L149-V205 HydrophobicContact CD1-CG2 3.97Å; L149-V205 HydrophobicContact CD2-CG2 4.35Å; L149-R247 HydrophobicContact CD1-CB 3.99Å; L149-R247 WeakPolarHBondContact CD1-O 3.48Å; L149-N276 VanDerWaalsContact O-CB 3.27Å; L149-N276 WeakPolarHBondContact O-CB 3.41Å
150	A	98.3	Very high	98.7	Very high	63 Å²	63	17.5 Å²	17.5	52%	0.521	11%	0.114	S	C	.	.			trans	-63.9	142.6	171.1	0	0	0	0	0	110.8	T153	A150-T153 VanDerWaalsContact O-CB 3.31Å; A150-T153 WeakPolarHBondContact O-CB 3.21Å; A150-T153 PolarHBondContact O-N 2.8Å; A150-T153 VanDerWaalsContact O-N 3.17Å; A150-T153 PolarHBondContact O-OG1 2.69Å
151	P	98.6	Very high	98.7	Very high	52 Å²	52	17.2 Å²	17.2	34%	0.338	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	141.7	171.9	-22.5	32	0	0	0	111.7	T153 A273 Y293	P151-T153 VanDerWaalsContact C-N 3.33Å; P151-A273 CarbonylContact C-O 3.52Å; P151-Y293 HydrophobicContact CB-CE2 3.75Å; P151-Y293 PolarHBondContact O-OH 2.81Å
152	G	98.5	Very high	98.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	-9.2	-174.6	0	0	0	0	0	114.6	V154 V272 A273 Y293 R296	G152-V154 PolarHBondContact O-N 2.78Å; G152-V272 WeakPolarHBondContact O-CG2 3.46Å; G152-A273 PolarHBondContact N-O 2.82Å; G152-Y293 VanDerWaalsContact N-CE2 3.34Å; G152-R296 VanDerWaalsContact O-CD 3.25Å; G152-R296 WeakPolarHBondContact O-CD 3.47Å; G152-R296 PolarHBondContact O-NH1 3.45Å
153	T	98.9	Very high	98.6	Very high	6 Å²	6	23.1 Å²	23.1	4%	0.037	14%	0.135	C	C	.	.			trans	-64.8	131.5	175.9	-55.1	0	0	0	0	110.7	L149 A150 P151 P203 V205 A273	L149-T153 HydrophobicContact CD1-CG2 3.94Å; L149-T153 HydrophobicContact CD2-CG2 4.32Å; A150-T153 VanDerWaalsContact O-CB 3.31Å; A150-T153 WeakPolarHBondContact O-CB 3.21Å; A150-T153 PolarHBondContact O-N 2.8Å; A150-T153 VanDerWaalsContact O-N 3.17Å; A150-T153 PolarHBondContact O-OG1 2.69Å; P151-T153 VanDerWaalsContact C-N 3.33Å; T153-P203 HydrophobicContact CG2-CB 4.24Å; T153-P203 HydrophobicContact CG2-CG 4.45Å; T153-V205 HydrophobicContact CG2-CG1 4.47Å; T153-V205 HydrophobicContact CG2-CG2 4.28Å; T153-A273 PolarHBondContact O-N 2.85Å
154	V	98.9	Very high	98.5	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	130.7	173.3	175.5	0	0	0	0	109.4	G152 F202 P203 T204 V205 V270 C271 V272 R296 L300	G152-V154 PolarHBondContact O-N 2.78Å; V154-F202 HydrophobicContact CB-CD2 4.23Å; V154-F202 HydrophobicContact CB-CE2 4.38Å; V154-F202 HydrophobicContact CG2-CD2 3.64Å; V154-F202 HydrophobicContact CG2-CE2 3.82Å; V154-F202 HydrophobicContact CG2-CG 4.48Å; V154-P203 PolarHBondContact N-O 3.2Å; V154-T204 HydrophobicContact CB-CG2 4.27Å; V154-T204 HydrophobicContact CG1-CG2 4.19Å; V154-T204 CarbonylContact O-C 3.52Å; V154-T204 VanDerWaalsContact O-CA 3.25Å; V154-T204 WeakPolarHBondContact O-CA 3.31Å; V154-V205 PolarHBondContact O-N 3.34Å; V154-V270 HydrophobicContact CG1-CG1 3.57Å; V154-C271 CarbonylContact C-O 3.47Å; V154-C271 WeakPolarHBondContact CA-O 3.39Å; V154-V272 HydrophobicContact CG2-CB 4.43Å; V154-V272 HydrophobicContact CG2-CG2 4.5Å; V154-R296 HydrophobicContact CG2-CB 3.58Å; V154-L300 HydrophobicContact CG1-CD2 4.13Å
155	V	98.9	Very high	98.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	121.4	173.4	-175.9	0	0	0	0	108.4	L149 V205 R247 N248 C271	L149-V155 HydrophobicContact CD1-CG2 3.44Å; L149-V155 VanDerWaalsContact CD1-CG2 3.44Å; V155-V205 WeakPolarHBondContact CA-O 3.3Å; V155-V205 HydrophobicContact CG2-CG2 4Å; V155-R247 HydrophobicContact CG1-CB 4.26Å; V155-R247 HydrophobicContact CG2-CB 4.36Å; V155-N248 HydrophobicContact CB-CB 4.45Å; V155-N248 HydrophobicContact CG2-CB 4.06Å; V155-C271 PolarHBondContact N-O 2.98Å; V155-C271 PolarHBondContact O-N 3.43Å
156	I	98.9	Very high	98.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	119.1	165.2	-59.7	161.2	0	0	0	106.3	D158 A189 L192 L193 T204 V205 I206 G207 L300	I156-D158 PolarHBondContact O-N 3.2Å; I156-A189 HydrophobicContact CG2-CB 3.79Å; I156-L192 HydrophobicContact CD1-CB 3.63Å; I156-L192 HydrophobicContact CG1-CB 4.28Å; I156-L192 HydrophobicContact CG2-CD1 4.21Å; I156-L193 HydrophobicContact CD1-CB 4.07Å; I156-L193 HydrophobicContact CD1-CD1 4.48Å; I156-T204 HydrophobicContact CD1-CG2 3.57Å; I156-T204 HydrophobicContact CG1-CG2 3.98Å; I156-V205 PolarHBondContact N-O 2.9Å; I156-I206 HydrophobicContact CB-CG1 4.12Å; I156-I206 HydrophobicContact CG2-CG1 4.37Å; I156-I206 VanDerWaalsContact O-CA 3.31Å; I156-I206 WeakPolarHBondContact O-CA 3.31Å; I156-G207 PolarHBondContact O-N 3.17Å; I156-G207 VanDerWaalsContact O-N 3.14Å; I156-L300 HydrophobicContact CD1-CD2 4.24Å; I156-L300 HydrophobicContact CG1-CD2 4.35Å
157	T	98.9	Very high	98.5	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	124.5	-175.6	-54.6	0	0	0	0	111.2	K159 A160 L184 G207 T209 V269	T157-K159 VanDerWaalsContact CG2-C 3.42Å; T157-K159 WeakPolarHBondContact CG2-O 3.42Å; T157-A160 HydrophobicContact CG2-CB 4.41Å; T157-L184 HydrophobicContact CG2-CD1 3.78Å; T157-G207 WeakPolarHBondContact CA-O 3.29Å; T157-T209 WeakPolarHBondContact CB-OG1 3.42Å; T157-T209 WeakPolarHBondContact CG2-OG1 3.36Å; T157-T209 WeakPolarHBondContact OG1-CB 3.44Å; T157-T209 PolarHBondContact OG1-OG1 2.95Å; T157-V269 PolarHBondContact N-O 3.29Å; T157-V269 WeakPolarHBondContact OG1-CB 3.44Å; T157-V269 WeakPolarHBondContact OG1-CG1 3.46Å
158	D	98.5	Very high	98.5	Very high	45 Å²	45	33.9 Å²	33.9	24%	0.241	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-65.6	165.2	176.6	32.6	0	0	0	109.8	I156 L184 I206 G207	I156-D158 PolarHBondContact O-N 3.2Å; D158-L184 PolarHBondContact O-N 2.98Å; D158-I206 HydrophobicContact CB-CG2 3.79Å; D158-G207 PolarHBondContact N-O 3.27Å
159	K	98.7	Very high	98.5	Very high	70 Å²	70	32.8 Å²	32.8	30%	0.304	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.5	175.3	-60.6	167.3	-169.7	174.8	0	110.4	T157 V161 P167 E183 N208 T209	T157-K159 VanDerWaalsContact CG2-C 3.42Å; T157-K159 WeakPolarHBondContact CG2-O 3.42Å; K159-V161 HydrophobicContact CB-CG1 4.25Å; K159-P167 HydrophobicContact CB-CB 4.13Å; K159-P167 HydrophobicContact CD-CB 4.19Å; K159-P167 HydrophobicContact CG-CB 4.42Å; K159-E183 HydrophobicContact CG-CG 4.37Å; K159-N208 PolarHBondContact N-OD1 2.91Å; K159-N208 WeakPolarHBondContact O-CA 3.36Å; K159-T209 PolarHBondContact O-N 3.08Å
160	A	98.8	Very high	98.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	120.9	165.8	0	0	0	0	0	108.4	T157 T182 T209 S253 T254 A257	T157-A160 HydrophobicContact CG2-CB 4.41Å; A160-T182 PolarHBondContact N-O 3.34Å; A160-T182 VanDerWaalsContact O-CB 3.27Å; A160-T182 WeakPolarHBondContact O-CB 3.28Å; A160-T182 PolarHBondContact O-OG1 3.33Å; A160-T209 CarbonylContact C-O 3.58Å; A160-T209 WeakPolarHBondContact CA-O 3.26Å; A160-S253 WeakPolarHBondContact CB-OG 3.42Å; A160-T254 HydrophobicContact CB-CG2 4.07Å; A160-A257 HydrophobicContact CB-CB 4.29Å
161	V	98.9	Very high	98.4	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.012	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	153.4	-174.9	-59.6	0	0	0	0	111.8	K159 L166 P167 N208 T209 M210 C211 V246	K159-V161 HydrophobicContact CB-CG1 4.25Å; V161-L166 CarbonylContact C-O 3.38Å; V161-L166 WeakPolarHBondContact CA-O 3.49Å; V161-L166 WeakPolarHBondContact CB-O 3.17Å; V161-P167 HydrophobicContact CG1-CB 4.42Å; V161-N208 HydrophobicContact CG1-CB 4.3Å; V161-T209 PolarHBondContact N-O 3.33Å; V161-M210 HydrophobicContact CG2-CB 4.15Å; V161-M210 WeakPolarHBondContact O-CA 3.38Å; V161-C211 PolarHBondContact O-N 3.45Å; V161-V246 HydrophobicContact CG2-CG2 3.77Å
162	D	98.4	Very high	98.4	Very high	11 Å²	11	37.7 Å²	37.7	6%	0.059	19%	0.192	C	C	.	.			trans	-77.8	-176.2	174.6	70.8	9.4	0	0	0	112.5	S164 F165 L166 Q168	D162-S164 PolarHBondContact O-N 3.37Å; D162-S164 VanDerWaalsContact O-N 3.12Å; D162-S164 VanDerWaalsContact OD1-C 3.27Å; D162-S164 VanDerWaalsContact OD1-CA 3.29Å; D162-S164 WeakPolarHBondContact OD1-CA 3.41Å; D162-S164 WeakPolarHBondContact OD1-CB 3.35Å; D162-S164 PolarHBondContact OD1-N 3.28Å; D162-F165 PolarHBondContact O-N 2.98Å; D162-F165 PolarHBondContact OD1-N 3.24Å; D162-F165 VanDerWaalsContact OD1-N 3.09Å; D162-L166 PolarHBondContact N-O 2.96Å; D162-L166 PolarHBondContact OD1-N 3.48Å; D162-Q168 VanDerWaalsContact OD2-CG 3.26Å; D162-Q168 WeakPolarHBondContact OD2-CG 3.46Å; D162-Q168 PolarHBondContact OD2-NE2 3.01Å
163	Y	95.8	Very high	98.4	Very high	120 Å²	120	40.4 Å²	40.4	47%	0.471	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-12.4	177.5	55.1	-95.4	0	0	0	114	Y237	Y163-Y237 PolarHBondContact O-OH 2.76Å
164	S	97.6	Very high	98.3	Very high	64 Å²	64	48.3 Å²	48.3	45%	0.448	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	11.5	174.1	-57.5	0	0	0	0	112.3	D162 L166	D162-S164 PolarHBondContact O-N 3.37Å; D162-S164 VanDerWaalsContact O-N 3.12Å; D162-S164 VanDerWaalsContact OD1-C 3.27Å; D162-S164 VanDerWaalsContact OD1-CA 3.29Å; D162-S164 WeakPolarHBondContact OD1-CA 3.41Å; D162-S164 WeakPolarHBondContact OD1-CB 3.35Å; D162-S164 PolarHBondContact OD1-N 3.28Å; S164-L166 PolarHBondContact O-N 2.92Å
165	F	98.6	Very high	98.3	Very high	41 Å²	41	51.7 Å²	51.7	18%	0.18	29%	0.285	C	S	.	.	S	Bend	trans	65.1	21.2	179.1	-35.1	-52.7	0	0	0	114.6	D162 M210 Y237 K240 A241 A244 V246	D162-F165 PolarHBondContact O-N 2.98Å; D162-F165 PolarHBondContact OD1-N 3.24Å; D162-F165 VanDerWaalsContact OD1-N 3.09Å; F165-M210 HydrophobicContact CD1-SD 4.04Å; F165-M210 HydrophobicContact CE1-SD 3.67Å; F165-Y237 AromaticContact CE1-CE2 3.91Å; F165-Y237 HydrophobicContact CE1-CE2 3.91Å; F165-Y237 AromaticContact CE1-CZ 3.85Å; F165-Y237 HydrophobicContact CE2-CE2 4.39Å; F165-Y237 AromaticContact CZ-CD2 3.93Å; F165-Y237 HydrophobicContact CZ-CD2 3.93Å; F165-Y237 AromaticContact CZ-CE2 3.44Å; F165-Y237 HydrophobicContact CZ-CE2 3.44Å; F165-Y237 VanDerWaalsContact CZ-CE2 3.44Å; F165-Y237 AromaticContact CZ-CZ 3.88Å; F165-K240 HydrophobicContact CE2-CB 3.8Å; F165-K240 HydrophobicContact CZ-CB 4.19Å; F165-A241 HydrophobicContact CD1-CB 4.06Å; F165-A241 HydrophobicContact CE1-CB 3.4Å; F165-A241 VanDerWaalsContact CE1-CB 3.4Å; F165-A241 HydrophobicContact CZ-CB 3.73Å; F165-A244 HydrophobicContact CB-CB 3.73Å; F165-A244 HydrophobicContact CD2-CB 4.02Å; F165-A244 HydrophobicContact CG-CB 3.95Å; F165-V246 HydrophobicContact CD1-CG2 4.18Å
166	L	98.6	Very high	98.2	Very high	85 Å²	85	59 Å²	59	45%	0.445	32%	0.317	S	S	.	.			trans	-93.9	140.7	176.7	-63.5	176.3	0	0	0	110.8	V161 D162 S164 Q168	V161-L166 CarbonylContact C-O 3.38Å; V161-L166 WeakPolarHBondContact CA-O 3.49Å; V161-L166 WeakPolarHBondContact CB-O 3.17Å; D162-L166 PolarHBondContact N-O 2.96Å; D162-L166 PolarHBondContact OD1-N 3.48Å; S164-L166 PolarHBondContact O-N 2.92Å; L166-Q168 HydrophobicContact CB-CG 3.88Å; L166-Q168 PolarHBondContact O-N 3.27Å
167	P	98.6	Very high	98.2	Very high	47 Å²	47	63.3 Å²	63.3	31%	0.305	34%	0.343	S	S	.	.	S	Bend	trans	-77.6	67.8	179.4	33.9	-36.7	0	0	0	111.2	K159 V161 T182	K159-P167 HydrophobicContact CB-CB 4.13Å; K159-P167 HydrophobicContact CD-CB 4.19Å; K159-P167 HydrophobicContact CG-CB 4.42Å; V161-P167 HydrophobicContact CG1-CB 4.42Å; P167-T182 VanDerWaalsContact CA-OG1 3.28Å; P167-T182 WeakPolarHBondContact CA-OG1 3.49Å; P167-T182 PolarHBondContact O-N 3.22Å; P167-T182 PolarHBondContact O-OG1 2.95Å
168	Q	98.5	Very high	98.1	Very high	49 Å²	49	65.7 Å²	65.7	23%	0.229	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	155.1	-177.3	65.5	-176.8	14	0	0	113.2	D162 L166 T179 R180 T182	D162-Q168 VanDerWaalsContact OD2-CG 3.26Å; D162-Q168 WeakPolarHBondContact OD2-CG 3.46Å; D162-Q168 PolarHBondContact OD2-NE2 3.01Å; L166-Q168 HydrophobicContact CB-CG 3.88Å; L166-Q168 PolarHBondContact O-N 3.27Å; Q168-T179 HydrophobicContact CB-CG2 3.68Å; Q168-T179 HydrophobicContact CG-CG2 4.28Å; Q168-R180 CarbonylContact C-O 3.58Å; Q168-R180 VanDerWaalsContact CA-O 3.3Å; Q168-R180 WeakPolarHBondContact CA-O 3.46Å; Q168-T182 VanDerWaalsContact C-CG2 3.48Å; Q168-T182 PolarHBondContact N-OG1 3.01Å; Q168-T182 VanDerWaalsContact N-OG1 3.11Å
169	F	98.7	Very high	98.1	Very high	11 Å²	11	67.1 Å²	67.1	5%	0.048	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120.4	172.1	174.3	-118.3	0	0	0	109.5	V114 Q171 T179 R180 T182 V255 A258	V114-F169 HydrophobicContact CG1-CE2 3.75Å; V114-F169 HydrophobicContact CG1-CZ 4Å; F169-Q171 HydrophobicContact CE1-CB 3.98Å; F169-Q171 HydrophobicContact CZ-CB 4.22Å; F169-T179 CarbonylContact O-C 3.54Å; F169-T179 WeakPolarHBondContact O-CA 3.36Å; F169-R180 PolarHBondContact N-O 3.36Å; F169-R180 PolarHBondContact O-N 3.03Å; F169-T182 HydrophobicContact CB-CG2 3.6Å; F169-V255 HydrophobicContact CD1-CB 4.43Å; F169-V255 HydrophobicContact CD1-CG2 4.4Å; F169-V255 HydrophobicContact CD2-CB 4.22Å; F169-V255 HydrophobicContact CE1-CB 4.04Å; F169-V255 HydrophobicContact CE1-CG2 3.72Å; F169-V255 HydrophobicContact CE2-CB 3.84Å; F169-V255 HydrophobicContact CE2-CG2 4.3Å; F169-V255 HydrophobicContact CZ-CB 3.74Å; F169-V255 HydrophobicContact CZ-CG2 3.66Å; F169-A258 HydrophobicContact CB-CB 3.82Å; F169-A258 HydrophobicContact CD1-CB 3.86Å; F169-A258 HydrophobicContact CG-CB 4.17Å
170	E	98	Very high	98.1	Very high	85 Å²	85	67.4 Å²	67.4	40%	0.397	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	137.6	174.9	-64.4	-168.7	146.9	0	0	111.4	V177 I178 T179	E170-V177 HydrophobicContact CB-CG1 4.34Å; E170-V177 HydrophobicContact CG-CG1 4.39Å; E170-I178 CarbonylContact C-O 3.48Å; E170-I178 WeakPolarHBondContact CA-O 3.38Å; E170-T179 HydrophobicContact CG-CG2 4.44Å
171	Q	97.4	Very high	98	Very high	53 Å²	53	69.5 Å²	69.5	25%	0.248	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	143.8	173	-177.2	174.6	-63.5	0	0	109.8	F169 V173 I178	F169-Q171 HydrophobicContact CE1-CB 3.98Å; F169-Q171 HydrophobicContact CZ-CB 4.22Å; Q171-V173 HydrophobicContact CG-CG2 4.17Å; Q171-I178 HydrophobicContact CB-CD1 4.34Å; Q171-I178 HydrophobicContact CB-CG1 3.95Å; Q171-I178 PolarHBondContact N-O 3.33Å; Q171-I178 WeakPolarHBondContact O-CG1 3.47Å; Q171-I178 PolarHBondContact O-N 2.88Å
172	V	97.9	Very high	98	Very high	101 Å²	101	69.4 Å²	69.4	61%	0.612	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	120.6	171.2	-177.7	0	0	0	0	109.2	K176 V177	V172-K176 CarbonylContact C-O 3.6Å; V172-K176 WeakPolarHBondContact CA-O 3.33Å; V172-V177 HydrophobicContact CG2-CG2 4.45Å
173	V	98	Very high	98	Very high	57 Å²	57	72.3 Å²	72.3	35%	0.345	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	113.5	175.4	177.6	0	0	0	0	108.8	Q171 G175 K176 I178	Q171-V173 HydrophobicContact CG-CG2 4.17Å; V173-G175 PolarHBondContact O-N 3.05Å; V173-K176 PolarHBondContact N-O 3.4Å; V173-K176 WeakPolarHBondContact O-CB 3.43Å; V173-K176 PolarHBondContact O-N 3.33Å; V173-I178 HydrophobicContact CB-CD1 4.27Å; V173-I178 HydrophobicContact CG2-CD1 3.4Å; V173-I178 VanDerWaalsContact CG2-CD1 3.4Å; V173-I178 HydrophobicContact CG2-CG1 3.88Å
174	L	97.8	Very high	98.1	Very high	173 Å²	173	67.4 Å²	67.4	91%	0.906	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	42.4	-177.4	-53.8	177	0	0	0	112.6	K176	L174-K176 VanDerWaalsContact C-N 3.26Å; L174-K176 PolarHBondContact O-N 3.5Å
175	G	97.8	Very high	98.1	Very high	71 Å²	71	66.7 Å²	66.7	73%	0.732	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	1.9	-178.6	0	0	0	0	0	115.2	V173	V173-G175 PolarHBondContact O-N 3.05Å
176	K	98.1	Very high	98	Very high	152 Å²	152	71 Å²	71	66%	0.661	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	131	177.2	-59.7	-179.6	-178.4	179.2	0	110.6	V172 V173 L174 I178	V172-K176 CarbonylContact C-O 3.6Å; V172-K176 WeakPolarHBondContact CA-O 3.33Å; V173-K176 PolarHBondContact N-O 3.4Å; V173-K176 WeakPolarHBondContact O-CB 3.43Å; V173-K176 PolarHBondContact O-N 3.33Å; L174-K176 VanDerWaalsContact C-N 3.26Å; L174-K176 PolarHBondContact O-N 3.5Å; K176-I178 PolarHBondContact O-N 3.13Å
177	V	97.9	Very high	98	Very high	92 Å²	92	69 Å²	69	56%	0.558	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	127.4	171.4	-177.4	0	0	0	0	108.6	E170 V172	E170-V177 HydrophobicContact CB-CG1 4.34Å; E170-V177 HydrophobicContact CG-CG1 4.39Å; V172-V177 HydrophobicContact CG2-CG2 4.45Å
178	I	97.6	Very high	98	Very high	50 Å²	50	67 Å²	67	26%	0.256	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.6	170.5	59.7	165	0	0	0	108.9	E170 Q171 V173 K176 R180	E170-I178 CarbonylContact C-O 3.48Å; E170-I178 WeakPolarHBondContact CA-O 3.38Å; Q171-I178 HydrophobicContact CB-CD1 4.34Å; Q171-I178 HydrophobicContact CB-CG1 3.95Å; Q171-I178 PolarHBondContact N-O 3.33Å; Q171-I178 WeakPolarHBondContact O-CG1 3.47Å; Q171-I178 PolarHBondContact O-N 2.88Å; V173-I178 HydrophobicContact CB-CD1 4.27Å; V173-I178 HydrophobicContact CG2-CD1 3.4Å; V173-I178 VanDerWaalsContact CG2-CD1 3.4Å; V173-I178 HydrophobicContact CG2-CG1 3.88Å; K176-I178 PolarHBondContact O-N 3.13Å; I178-R180 VanDerWaalsContact CD1-NH1 3.32Å; I178-R180 VanDerWaalsContact CD1-NH2 3.26Å
179	T	98.2	Very high	98	Very high	76 Å²	76	64.9 Å²	64.9	47%	0.466	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.4	-177.8	-49.6	0	0	0	0	109.4	Q168 F169 E170	Q168-T179 HydrophobicContact CB-CG2 3.68Å; Q168-T179 HydrophobicContact CG-CG2 4.28Å; F169-T179 CarbonylContact O-C 3.54Å; F169-T179 WeakPolarHBondContact O-CA 3.36Å; E170-T179 HydrophobicContact CG-CG2 4.44Å
180	R	98.3	Very high	98	Very high	76 Å²	76	68.8 Å²	68.8	29%	0.287	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	142.3	178.8	-64.6	179.9	174.4	111.6	-3.4	110.4	Q168 F169 I178 A258 V262	Q168-R180 CarbonylContact C-O 3.58Å; Q168-R180 VanDerWaalsContact CA-O 3.3Å; Q168-R180 WeakPolarHBondContact CA-O 3.46Å; F169-R180 PolarHBondContact N-O 3.36Å; F169-R180 PolarHBondContact O-N 3.03Å; I178-R180 VanDerWaalsContact CD1-NH1 3.32Å; I178-R180 VanDerWaalsContact CD1-NH2 3.26Å; R180-A258 HydrophobicContact CB-CB 3.87Å; R180-V262 HydrophobicContact CG-CG2 4.49Å
181	S	98	Very high	98	Very high	43 Å²	43	67.3 Å²	67.3	30%	0.301	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	146.9	171.9	162.4	0	0	0	0	111	E183 A258 R261	S181-E183 VanDerWaalsContact OG-CD 3.29Å; S181-E183 PolarHBondContact OG-N 3.32Å; S181-E183 PolarHBondContact OG-OE2 3.37Å; S181-A258 WeakPolarHBondContact O-CA 3.37Å; S181-R261 PolarHBondContact OG-NE 3.36Å
182	T	98.7	Very high	98.1	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	37%	0.366	C	S	.	.			trans	-123.7	23.1	-175.6	53.2	0	0	0	0	112.7	A160 P167 Q168 F169 T254 A257 A258	A160-T182 PolarHBondContact N-O 3.34Å; A160-T182 VanDerWaalsContact O-CB 3.27Å; A160-T182 WeakPolarHBondContact O-CB 3.28Å; A160-T182 PolarHBondContact O-OG1 3.33Å; P167-T182 VanDerWaalsContact CA-OG1 3.28Å; P167-T182 WeakPolarHBondContact CA-OG1 3.49Å; P167-T182 PolarHBondContact O-N 3.22Å; P167-T182 PolarHBondContact O-OG1 2.95Å; Q168-T182 VanDerWaalsContact C-CG2 3.48Å; Q168-T182 PolarHBondContact N-OG1 3.01Å; Q168-T182 VanDerWaalsContact N-OG1 3.11Å; F169-T182 HydrophobicContact CB-CG2 3.6Å; T182-T254 HydrophobicContact CG2-CG2 4.29Å; T182-T254 VanDerWaalsContact CG2-O 3.31Å; T182-T254 WeakPolarHBondContact CG2-O 3.4Å; T182-A257 VanDerWaalsContact O-CB 3.31Å; T182-A257 WeakPolarHBondContact O-CB 3.29Å; T182-A258 HydrophobicContact CG2-CB 4.13Å
183	E	98.1	Very high	98.1	Very high	72 Å²	72	62.5 Å²	62.5	34%	0.336	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-68.6	130.6	172.5	-62.3	153.3	150.4	0	0	110.2	K159 S181 R261	K159-E183 HydrophobicContact CG-CG 4.37Å; S181-E183 VanDerWaalsContact OG-CD 3.29Å; S181-E183 PolarHBondContact OG-N 3.32Å; S181-E183 PolarHBondContact OG-OE2 3.37Å; E183-R261 PolarHBondContact O-NH1 2.75Å; E183-R261 IonicContact OE2-CZ 3.81Å; E183-R261 VanDerWaalsContact OE2-CZ 3.3Å; E183-R261 IonicContact OE2-NE 3.69Å; E183-R261 IonicContact OE2-NH2 3.78Å; E183-R261 PolarHBondContact OE2-NH2 2.85Å
184	L	98.2	Very high	98.1	Very high	17 Å²	17	64.8 Å²	64.8	9%	0.089	36%	0.357	C	S	.	.			trans	-93.6	175.3	176	-67.5	167.2	0	0	0	111.3	T157 D158 E186 A257 A267 V269	T157-L184 HydrophobicContact CG2-CD1 3.78Å; D158-L184 PolarHBondContact O-N 2.98Å; L184-E186 PolarHBondContact O-N 2.95Å; L184-A257 HydrophobicContact CD2-CB 3.62Å; L184-A257 HydrophobicContact CG-CB 4.01Å; L184-A267 HydrophobicContact CD2-CB 4.1Å; L184-V269 HydrophobicContact CD1-CB 4.16Å; L184-V269 HydrophobicContact CD1-CG2 3.81Å
185	D	97.1	Very high	98.1	Very high	49 Å²	49	56.6 Å²	56.6	26%	0.262	31%	0.314	S	S	.	.			trans	-77.7	110.3	-178	-172.5	-59.6	0	0	0	110.9	G187 V188 A189	D185-G187 PolarHBondContact O-N 2.79Å; D185-G187 VanDerWaalsContact OD1-CA 3.28Å; D185-G187 WeakPolarHBondContact OD1-CA 3.38Å; D185-G187 PolarHBondContact OD1-N 2.91Å; D185-V188 HydrophobicContact CB-CB 4.17Å; D185-V188 HydrophobicContact CB-CG2 3.95Å; D185-V188 PolarHBondContact O-N 3.43Å; D185-V188 PolarHBondContact OD1-N 3.31Å; D185-A189 PolarHBondContact O-N 2.93Å
186	E	97.3	Very high	98.1	Very high	131 Å²	131	53.5 Å²	53.5	61%	0.612	28%	0.282	S	S	*	.	H	α-helix	trans	-58.8	-33.8	178.8	-66.8	179.9	-172.4	0	0	112.7	L184 A189 N190	L184-E186 PolarHBondContact O-N 2.95Å; E186-A189 PolarHBondContact O-N 2.76Å; E186-N190 WeakPolarHBondContact O-CB 3.42Å; E186-N190 VanDerWaalsContact O-CG 3.3Å; E186-N190 PolarHBondContact O-N 2.73Å; E186-N190 PolarHBondContact O-ND2 3.27Å
187	G	97.9	Very high	98	Very high	43 Å²	43	49.7 Å²	49.7	44%	0.443	27%	0.274	S	S	.	.	H	α-helix	trans	-65.8	-47.2	178.6	0	0	0	0	0	111.6	D185 A189 N190 E191	D185-G187 PolarHBondContact O-N 2.79Å; D185-G187 VanDerWaalsContact OD1-CA 3.28Å; D185-G187 WeakPolarHBondContact OD1-CA 3.38Å; D185-G187 PolarHBondContact OD1-N 2.91Å; G187-A189 VanDerWaalsContact C-N 3.33Å; G187-A189 PolarHBondContact O-N 2.79Å; G187-N190 PolarHBondContact O-N 2.78Å; G187-E191 WeakPolarHBondContact O-CB 3.39Å; G187-E191 PolarHBondContact O-N 2.59Å
188	V	98.3	Very high	97.9	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.03	27%	0.265	C	S	.	.	H	α-helix	trans	-62.8	-40.8	175.6	-179.7	0	0	0	0	110.8	V137 F139 D185 E191 L192 K266 A268 F304	V137-V188 HydrophobicContact CG1-CG1 4.33Å; V137-V188 HydrophobicContact CG1-CG2 4.42Å; F139-V188 HydrophobicContact CE1-CG1 3.91Å; F139-V188 HydrophobicContact CZ-CG1 4.42Å; D185-V188 HydrophobicContact CB-CB 4.17Å; D185-V188 HydrophobicContact CB-CG2 3.95Å; D185-V188 PolarHBondContact O-N 3.43Å; D185-V188 PolarHBondContact OD1-N 3.31Å; V188-E191 PolarHBondContact O-N 2.6Å; V188-L192 HydrophobicContact CG1-CD1 4.08Å; V188-L192 HydrophobicContact CG1-CG 4.5Å; V188-L192 WeakPolarHBondContact O-CB 3.42Å; V188-L192 WeakPolarHBondContact O-CG 3.1Å; V188-L192 PolarHBondContact O-N 2.85Å; V188-K266 HydrophobicContact CG2-CB 4.36Å; V188-K266 HydrophobicContact CG2-CD 4.26Å; V188-A268 HydrophobicContact CG1-CB 3.71Å; V188-F304 HydrophobicContact CG1-CE2 4.35Å; V188-F304 HydrophobicContact CG1-CZ 4.38Å
189	A	98.5	Very high	97.8	Very high	5 Å²	5	48.4 Å²	48.4	4%	0.041	26%	0.262	C	S	.	.	H	α-helix	trans	-63	-45.7	178.1	0	0	0	0	0	112.5	I156 D185 E186 G187 L192 L193 I206	I156-A189 HydrophobicContact CG2-CB 3.79Å; D185-A189 PolarHBondContact O-N 2.93Å; E186-A189 PolarHBondContact O-N 2.76Å; G187-A189 VanDerWaalsContact C-N 3.33Å; G187-A189 PolarHBondContact O-N 2.79Å; A189-L192 PolarHBondContact O-N 3.48Å; A189-L193 PolarHBondContact O-N 2.71Å; A189-I206 HydrophobicContact CB-CD1 4.25Å
190	N	98.6	Very high	97.3	Very high	93 Å²	93	52.7 Å²	52.7	50%	0.497	28%	0.277	S	S	.	.	H	α-helix	trans	-65.2	-40	177.9	-75.2	-46	0	0	0	112.2	E186 G187 L193 Q194	E186-N190 WeakPolarHBondContact O-CB 3.42Å; E186-N190 VanDerWaalsContact O-CG 3.3Å; E186-N190 PolarHBondContact O-N 2.73Å; E186-N190 PolarHBondContact O-ND2 3.27Å; G187-N190 PolarHBondContact O-N 2.78Å; N190-L193 PolarHBondContact O-N 3.26Å; N190-Q194 PolarHBondContact O-N 2.68Å
191	E	98.4	Very high	96.9	Very high	54 Å²	54	54.3 Å²	54.3	25%	0.252	29%	0.291	S	S	.	.	H	α-helix	trans	-66.1	-39.2	176.5	-174.9	175.7	-170.8	0	0	112	G187 V188 Q194 C195 F304 H308	G187-E191 WeakPolarHBondContact O-CB 3.39Å; G187-E191 PolarHBondContact O-N 2.59Å; V188-E191 PolarHBondContact O-N 2.6Å; E191-Q194 WeakPolarHBondContact O-CB 3.34Å; E191-Q194 PolarHBondContact O-N 2.88Å; E191-C195 PolarHBondContact O-N 3.5Å; E191-C195 PolarHBondContact O-SG 3.04Å; E191-F304 HydrophobicContact CB-CD2 4.47Å; E191-F304 HydrophobicContact CB-CE2 3.94Å; E191-F304 HydrophobicContact CG-CD2 3.93Å; E191-F304 HydrophobicContact CG-CE2 3.58Å; E191-F304 VanDerWaalsContact OE2-CE2 3.26Å; E191-F304 WeakPolarHBondContact OE2-CE2 3.15Å; E191-H308 IonicContact OE1-CD2 3.11Å; E191-H308 PolarHBondContact OE1-CD2 3.02Å; E191-H308 IonicContact OE1-CE1 3.29Å; E191-H308 IonicContact OE1-NE2 3.45Å; E191-H308 PolarHBondContact OE1-NE2 3.22Å; E191-H308 IonicContact OE2-CE1 2.72Å; E191-H308 IonicContact OE2-NE2 2.72Å; E191-H308 PolarHBondContact OE2-NE2 3.38Å; E191-H308 VanDerWaalsContact OE2-NE2 3.11Å
192	L	98.6	Very high	96.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.3	-41.3	171.4	-76	166.3	0	0	0	111.7	F139 I156 V188 A189 Q194 C195 S196 A268 V270 L300 V301 F304	F139-L192 HydrophobicContact CD1-CD1 4.44Å; F139-L192 HydrophobicContact CE1-CD1 4.13Å; F139-L192 HydrophobicContact CE1-CD2 4.31Å; I156-L192 HydrophobicContact CD1-CB 3.63Å; I156-L192 HydrophobicContact CG1-CB 4.28Å; I156-L192 HydrophobicContact CG2-CD1 4.21Å; V188-L192 HydrophobicContact CG1-CD1 4.08Å; V188-L192 HydrophobicContact CG1-CG 4.5Å; V188-L192 WeakPolarHBondContact O-CB 3.42Å; V188-L192 WeakPolarHBondContact O-CG 3.1Å; V188-L192 PolarHBondContact O-N 2.85Å; A189-L192 PolarHBondContact O-N 3.48Å; L192-Q194 VanDerWaalsContact C-N 3.3Å; L192-Q194 PolarHBondContact O-N 3.19Å; L192-C195 WeakPolarHBondContact O-CB 3.21Å; L192-C195 PolarHBondContact O-N 2.94Å; L192-S196 PolarHBondContact O-N 3.17Å; L192-A268 HydrophobicContact CD1-CB 3.65Å; L192-V270 HydrophobicContact CD1-CG2 3.78Å; L192-L300 HydrophobicContact CD2-CG 4.23Å; L192-L300 WeakPolarHBondContact O-CD1 3.38Å; L192-V301 HydrophobicContact CD2-CG2 4.07Å; L192-F304 HydrophobicContact CD2-CB 3.89Å; L192-F304 HydrophobicContact CD2-CD2 3.75Å; L192-F304 HydrophobicContact CD2-CG 3.98Å; L192-F304 HydrophobicContact CG-CD2 3.96Å; L192-F304 HydrophobicContact CG-CE2 4.39Å
193	L	98.4	Very high	96.8	Very high	53 Å²	53	56.6 Å²	56.6	28%	0.277	30%	0.303	S	S	.	.	H	α-helix	trans	-64.5	-37.8	176.9	-175.1	65.6	0	0	0	111.6	I156 A189 N190 S196 S197 T204 I206	I156-L193 HydrophobicContact CD1-CB 4.07Å; I156-L193 HydrophobicContact CD1-CD1 4.48Å; A189-L193 PolarHBondContact O-N 2.71Å; N190-L193 PolarHBondContact O-N 3.26Å; L193-S196 PolarHBondContact O-N 2.88Å; L193-S197 PolarHBondContact O-N 3.13Å; L193-S197 PolarHBondContact O-OG 3.1Å; L193-T204 HydrophobicContact CD1-CG2 4.05Å; L193-I206 HydrophobicContact CB-CD1 4.01Å; L193-I206 HydrophobicContact CB-CG1 4.34Å; L193-I206 HydrophobicContact CD2-CD1 3.76Å; L193-I206 HydrophobicContact CD2-CG1 4.1Å; L193-I206 HydrophobicContact CG-CD1 4.44Å
194	Q	98.1	Very high	96.8	Very high	106 Å²	106	54.3 Å²	54.3	50%	0.495	29%	0.294	S	S	.	.	H	α-helix	trans	-62.7	-47.8	172.2	-177.6	-178.5	-11.4	0	0	111.2	N190 E191 L192 S196 S197 E198	N190-Q194 PolarHBondContact O-N 2.68Å; E191-Q194 WeakPolarHBondContact O-CB 3.34Å; E191-Q194 PolarHBondContact O-N 2.88Å; L192-Q194 VanDerWaalsContact C-N 3.3Å; L192-Q194 PolarHBondContact O-N 3.19Å; Q194-S196 PolarHBondContact O-N 3.41Å; Q194-S197 WeakPolarHBondContact O-CA 3.31Å; Q194-S197 WeakPolarHBondContact O-CB 3.32Å; Q194-S197 PolarHBondContact O-N 2.87Å; Q194-E198 PolarHBondContact NE2-OE1 3.47Å; Q194-E198 WeakPolarHBondContact O-CG 3.36Å; Q194-E198 PolarHBondContact O-N 3.46Å
195	C	98.1	Very high	96.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-54.7	-41.4	175	-72.6	0	0	0	0	111.8	E191 L192 E198 L199 L300	E191-C195 PolarHBondContact O-N 3.5Å; E191-C195 PolarHBondContact O-SG 3.04Å; L192-C195 WeakPolarHBondContact O-CB 3.21Å; L192-C195 PolarHBondContact O-N 2.94Å; C195-E198 PolarHBondContact O-N 2.9Å; C195-L199 WeakPolarHBondContact O-CG 2.98Å; C195-L199 PolarHBondContact O-N 3.48Å; C195-L199 VanDerWaalsContact O-N 3.12Å; C195-L300 HydrophobicContact CB-CD1 3.82Å
196	S	97.4	Very high	96.9	Very high	7 Å²	7	56 Å²	56	5%	0.049	30%	0.304	C	S	.	.	H	α-helix	trans	-65.6	-39.2	176.5	-172.6	0	0	0	0	112.5	L192 L193 Q194 E198 L199 Q200 T204	L192-S196 PolarHBondContact O-N 3.17Å; L193-S196 PolarHBondContact O-N 2.88Å; Q194-S196 PolarHBondContact O-N 3.41Å; S196-E198 VanDerWaalsContact C-N 3.26Å; S196-E198 PolarHBondContact O-N 3.45Å; S196-L199 PolarHBondContact O-N 3.35Å; S196-Q200 PolarHBondContact O-N 3.49Å; S196-T204 WeakPolarHBondContact OG-CB 3.43Å; S196-T204 PolarHBondContact OG-OG1 2.88Å
197	S	96.1	Very high	97	Very high	72 Å²	72	50.2 Å²	50.2	50%	0.503	28%	0.28	S	S	.	.	H	α-helix	trans	-66.7	-26.8	177.1	-56.7	0	0	0	0	113.1	L193 Q194 Q200	L193-S197 PolarHBondContact O-N 3.13Å; L193-S197 PolarHBondContact O-OG 3.1Å; Q194-S197 WeakPolarHBondContact O-CA 3.31Å; Q194-S197 WeakPolarHBondContact O-CB 3.32Å; Q194-S197 PolarHBondContact O-N 2.87Å; S197-Q200 WeakPolarHBondContact O-CG 3.44Å; S197-Q200 PolarHBondContact O-NE2 3.15Å
198	E	96.1	Very high	97.1	Very high	79 Å²	79	49.4 Å²	49.4	37%	0.369	27%	0.265	S	S	.	.	H	α-helix	trans	-75.9	-37.7	172.6	-68.2	165.6	-172.2	0	0	111.7	Q194 C195 S196 H303 K307	Q194-E198 PolarHBondContact NE2-OE1 3.47Å; Q194-E198 WeakPolarHBondContact O-CG 3.36Å; Q194-E198 PolarHBondContact O-N 3.46Å; C195-E198 PolarHBondContact O-N 2.9Å; S196-E198 VanDerWaalsContact C-N 3.26Å; S196-E198 PolarHBondContact O-N 3.45Å; E198-H303 IonicContact OE2-CD2 3.62Å; E198-H303 IonicContact OE2-NE2 2.88Å; E198-H303 PolarHBondContact OE2-NE2 3.23Å; E198-K307 IonicContact OE1-NZ 2.73Å; E198-K307 PolarHBondContact OE1-NZ 3.34Å; E198-K307 IonicContact OE2-NZ 3.31Å; E198-K307 PolarHBondContact OE2-NZ 2.79Å
199	L	94.6	Very high	97.1	Very high	36 Å²	36	49.1 Å²	49.1	19%	0.188	26%	0.263	C	S	.	.	H	α-helix	trans	-73.3	-38.9	178.4	-71.1	170.1	0	0	0	113	C195 S196 N201 V299 L300 H303	C195-L199 WeakPolarHBondContact O-CG 2.98Å; C195-L199 PolarHBondContact O-N 3.48Å; C195-L199 VanDerWaalsContact O-N 3.12Å; S196-L199 PolarHBondContact O-N 3.35Å; L199-N201 VanDerWaalsContact O-CG 3.28Å; L199-N201 PolarHBondContact O-N 2.58Å; L199-N201 PolarHBondContact O-OD1 2.86Å; L199-V299 HydrophobicContact CD1-CG1 4.13Å; L199-L300 HydrophobicContact CD1-CD1 4.2Å; L199-H303 HydrophobicContact CD1-CB 3.87Å; L199-H303 HydrophobicContact CD2-CB 4.24Å; L199-H303 HydrophobicContact CG-CB 4.27Å
200	Q	88.8	Confident	97.1	Very high	166 Å²	166	48.9 Å²	48.9	78%	0.776	26%	0.261	S	S	*	.			trans	53.7	20.2	-178.6	-55.9	-171.9	-7.2	0	0	115.5	S196 S197	S196-Q200 PolarHBondContact O-N 3.49Å; S197-Q200 WeakPolarHBondContact O-CG 3.44Å; S197-Q200 PolarHBondContact O-NE2 3.15Å
201	N	90	Very high	97.1	Very high	109 Å²	109	44.7 Å²	44.7	58%	0.583	24%	0.239	S	C	*	.	S	Bend	trans	-86.5	-28.4	-172.9	-70.4	-25	0	0	0	113.5	L199	L199-N201 VanDerWaalsContact O-CG 3.28Å; L199-N201 PolarHBondContact O-N 2.58Å; L199-N201 PolarHBondContact O-OD1 2.86Å
202	F	96.4	Very high	97.1	Very high	18 Å²	18	42.4 Å²	42.4	8%	0.079	23%	0.229	C	C	.	.	S	Bend	trans	-154.2	148.1	-175	41.1	-99.4	0	0	0	112.1	V154 T204 R296 V299 L300	V154-F202 HydrophobicContact CB-CD2 4.23Å; V154-F202 HydrophobicContact CB-CE2 4.38Å; V154-F202 HydrophobicContact CG2-CD2 3.64Å; V154-F202 HydrophobicContact CG2-CE2 3.82Å; V154-F202 HydrophobicContact CG2-CG 4.48Å; F202-T204 WeakPolarHBondContact CD2-OG1 3.27Å; F202-T204 PolarHBondContact O-N 3.21Å; F202-T204 PolarHBondContact O-OG1 2.77Å; F202-R296 HydrophobicContact CB-CG 4.29Å; F202-R296 HydrophobicContact CD1-CB 3.83Å; F202-R296 HydrophobicContact CD1-CG 3.64Å; F202-R296 HydrophobicContact CD2-CB 4.13Å; F202-R296 HydrophobicContact CE1-CB 3.85Å; F202-R296 HydrophobicContact CE1-CG 4.08Å; F202-R296 HydrophobicContact CE2-CB 4.16Å; F202-R296 HydrophobicContact CG-CB 3.97Å; F202-R296 HydrophobicContact CG-CG 3.91Å; F202-R296 HydrophobicContact CZ-CB 4.03Å; F202-R296 WeakPolarHBondContact CZ-O 3.36Å; F202-V299 HydrophobicContact CE1-CB 4.26Å; F202-V299 HydrophobicContact CE1-CG1 4.16Å; F202-V299 HydrophobicContact CZ-CB 4.45Å; F202-V299 HydrophobicContact CZ-CG1 4.45Å; F202-L300 HydrophobicContact CE2-CB 4.22Å; F202-L300 HydrophobicContact CZ-CB 4.02Å
203	P	97.8	Very high	97.1	Very high	74 Å²	74	48.3 Å²	48.3	48%	0.481	26%	0.256	S	S	.	.			trans	-62	132.1	177.8	24.1	-30.7	0	0	0	110	T153 V154	T153-P203 HydrophobicContact CG2-CB 4.24Å; T153-P203 HydrophobicContact CG2-CG 4.45Å; V154-P203 PolarHBondContact N-O 3.2Å
204	T	98.8	Very high	97.1	Very high	23 Å²	23	49 Å²	49	14%	0.141	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.1	-179.6	-58.7	0	0	0	0	109.7	V154 I156 L193 S196 F202 L300	V154-T204 HydrophobicContact CB-CG2 4.27Å; V154-T204 HydrophobicContact CG1-CG2 4.19Å; V154-T204 CarbonylContact O-C 3.52Å; V154-T204 VanDerWaalsContact O-CA 3.25Å; V154-T204 WeakPolarHBondContact O-CA 3.31Å; I156-T204 HydrophobicContact CD1-CG2 3.57Å; I156-T204 HydrophobicContact CG1-CG2 3.98Å; L193-T204 HydrophobicContact CD1-CG2 4.05Å; S196-T204 WeakPolarHBondContact OG-CB 3.43Å; S196-T204 PolarHBondContact OG-OG1 2.88Å; F202-T204 WeakPolarHBondContact CD2-OG1 3.27Å; F202-T204 PolarHBondContact O-N 3.21Å; F202-T204 PolarHBondContact O-OG1 2.77Å; T204-L300 HydrophobicContact CG2-CD2 4.35Å
205	V	98.8	Very high	97.1	Very high	47 Å²	47	47.4 Å²	47.4	29%	0.285	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	152.7	178.4	-59.4	0	0	0	0	110.3	L149 T153 V154 V155 I156	L149-V205 HydrophobicContact CD1-CG2 3.97Å; L149-V205 HydrophobicContact CD2-CG2 4.35Å; T153-V205 HydrophobicContact CG2-CG1 4.47Å; T153-V205 HydrophobicContact CG2-CG2 4.28Å; V154-V205 PolarHBondContact O-N 3.34Å; V155-V205 WeakPolarHBondContact CA-O 3.3Å; V155-V205 HydrophobicContact CG2-CG2 4Å; I156-V205 PolarHBondContact N-O 2.9Å
206	I	98.8	Very high	97.2	Very high	56 Å²	56	52.3 Å²	52.3	29%	0.287	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	134.9	162.4	-65.4	175.6	0	0	0	107.9	I156 D158 A189 L193	I156-I206 HydrophobicContact CB-CG1 4.12Å; I156-I206 HydrophobicContact CG2-CG1 4.37Å; I156-I206 VanDerWaalsContact O-CA 3.31Å; I156-I206 WeakPolarHBondContact O-CA 3.31Å; D158-I206 HydrophobicContact CB-CG2 3.79Å; A189-I206 HydrophobicContact CB-CD1 4.25Å; L193-I206 HydrophobicContact CB-CD1 4.01Å; L193-I206 HydrophobicContact CB-CG1 4.34Å; L193-I206 HydrophobicContact CD2-CD1 3.76Å; L193-I206 HydrophobicContact CD2-CG1 4.1Å; L193-I206 HydrophobicContact CG-CD1 4.44Å
207	G	98.8	Very high	97.2	Very high	9 Å²	9	55.2 Å²	55.2	9%	0.093	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	172.3	176.3	0	0	0	0	0	112.8	I156 T157 D158	I156-G207 PolarHBondContact O-N 3.17Å; I156-G207 VanDerWaalsContact O-N 3.14Å; T157-G207 WeakPolarHBondContact CA-O 3.29Å; D158-G207 PolarHBondContact N-O 3.27Å
208	N	98.9	Very high	97.3	Very high	25 Å²	25	53.2 Å²	53.2	13%	0.134	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	148.7	176.2	-64.3	-20.5	0	0	0	110.4	K159 V161 A244 G245 V246 R247	K159-N208 PolarHBondContact N-OD1 2.91Å; K159-N208 WeakPolarHBondContact O-CA 3.36Å; V161-N208 HydrophobicContact CG1-CB 4.3Å; N208-A244 PolarHBondContact ND2-O 3.46Å; N208-G245 WeakPolarHBondContact CB-O 3.48Å; N208-G245 PolarHBondContact N-O 2.88Å; N208-V246 HydrophobicContact CB-CG2 4.31Å; N208-V246 CarbonylContact O-C 3.55Å; N208-V246 WeakPolarHBondContact O-CA 3.47Å; N208-R247 PolarHBondContact O-N 2.81Å
209	T	98.9	Very high	97.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.7	177.9	-62.7	0	0	0	0	109.2	T157 K159 A160 V161 N248 E250	T157-T209 WeakPolarHBondContact CB-OG1 3.42Å; T157-T209 WeakPolarHBondContact CG2-OG1 3.36Å; T157-T209 WeakPolarHBondContact OG1-CB 3.44Å; T157-T209 PolarHBondContact OG1-OG1 2.95Å; K159-T209 PolarHBondContact O-N 3.08Å; A160-T209 CarbonylContact C-O 3.58Å; A160-T209 WeakPolarHBondContact CA-O 3.26Å; V161-T209 PolarHBondContact N-O 3.33Å; T209-N248 WeakPolarHBondContact CA-OD1 3.49Å; T209-N248 VanDerWaalsContact CB-OD1 3.25Å; T209-N248 WeakPolarHBondContact CB-OD1 3.42Å; T209-N248 WeakPolarHBondContact CG2-OD1 3.38Å; T209-N248 PolarHBondContact OG1-OD1 3.07Å; T209-E250 HydrophobicContact CG2-CG 3.44Å; T209-E250 VanDerWaalsContact CG2-CG 3.44Å
210	M	98.9	Very high	97.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126.1	174.6	-174.7	174.2	79.9	0	0	109.8	V161 F165 T212 Y237 V246 N248 I249 E250	V161-M210 HydrophobicContact CG2-CB 4.15Å; V161-M210 WeakPolarHBondContact O-CA 3.38Å; F165-M210 HydrophobicContact CD1-SD 4.04Å; F165-M210 HydrophobicContact CE1-SD 3.67Å; M210-T212 HydrophobicContact CE-CG2 3.87Å; M210-T212 HydrophobicContact CG-CG2 4.3Å; M210-Y237 HydrophobicContact CE-CE1 3.86Å; M210-Y237 HydrophobicContact SD-CE1 4.13Å; M210-Y237 PolarHBondContact SD-OH 3.12Å; M210-Y237 VanDerWaalsContact SD-OH 3.32Å; M210-V246 HydrophobicContact CB-CG1 3.83Å; M210-V246 HydrophobicContact CB-CG2 4.35Å; M210-N248 PolarHBondContact N-O 3Å; M210-I249 HydrophobicContact CB-CG1 4.38Å; M210-I249 HydrophobicContact CB-CG2 4.48Å; M210-I249 HydrophobicContact CE-CB 4.36Å; M210-I249 HydrophobicContact CE-CD1 3.62Å; M210-I249 HydrophobicContact CE-CG1 3.81Å; M210-I249 HydrophobicContact CE-CG2 3.63Å; M210-I249 VanDerWaalsContact O-CA 3.32Å; M210-I249 WeakPolarHBondContact O-CA 3.46Å; M210-E250 PolarHBondContact O-N 3.26Å
211	C	98.9	Very high	98.1	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.034	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.5	177	-176.7	0	0	0	0	110.1	V161 E250 E252 T254	V161-C211 PolarHBondContact O-N 3.45Å; C211-E250 CarbonylContact C-O 3.52Å; C211-E250 WeakPolarHBondContact CA-O 3.17Å; C211-E252 PolarHBondContact SG-N 2.83Å; C211-T254 HydrophobicContact CB-CG2 3.42Å; C211-T254 VanDerWaalsContact CB-CG2 3.42Å; C211-T254 PolarHBondContact SG-OG1 2.99Å
212	T	98.8	Very high	98.5	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.031	21%	0.205	C	C	.	.			trans	-116	159.2	-179.5	72.5	0	0	0	0	111.8	M210 D214 G218 Q219 I249 E250 M251	M210-T212 HydrophobicContact CE-CG2 3.87Å; M210-T212 HydrophobicContact CG-CG2 4.3Å; T212-D214 PolarHBondContact OG1-O 3.25Å; T212-G218 VanDerWaalsContact CG2-O 3.26Å; T212-G218 WeakPolarHBondContact CG2-O 3.23Å; T212-Q219 HydrophobicContact CG2-CG 3.94Å; T212-Q219 WeakPolarHBondContact OG1-CG 3.16Å; T212-Q219 PolarHBondContact OG1-NE2 3.47Å; T212-I249 HydrophobicContact CG2-CG2 3.8Å; T212-E250 PolarHBondContact N-O 3.27Å; T212-M251 WeakPolarHBondContact O-CA 3.41Å; T212-M251 WeakPolarHBondContact O-CB 3.46Å
213	H	97.9	Very high	98.6	Very high	124 Å²	124	39.9 Å²	39.9	57%	0.574	21%	0.212	S	C	*	.	S	Bend	trans	-92.9	-16	176.7	-64.7	-53.7	0	0	0	113.8
214	D	98.5	Very high	98.7	Very high	67 Å²	67	37.4 Å²	37.4	36%	0.358	20%	0.2	S	C	.	.			trans	-129.8	145	176.9	171.6	56	0	0	0	109.4	T212 Y216 E217 G218 Q219	T212-D214 PolarHBondContact OG1-O 3.25Å; D214-Y216 VanDerWaalsContact OD2-C 3.28Å; D214-Y216 WeakPolarHBondContact OD2-CA 3.44Å; D214-Y216 PolarHBondContact OD2-N 2.94Å; D214-E217 PolarHBondContact OD2-N 2.93Å; D214-G218 PolarHBondContact OD2-N 2.96Å; D214-Q219 WeakPolarHBondContact O-CG 3.5Å
215	F	98.8	Very high	98.6	Very high	74 Å²	74	41.6 Å²	41.6	33%	0.325	24%	0.237	S	C	.	.	S	Bend	trans	-80.2	-31.8	-178.2	-177.8	-97.9	0	0	0	112.1	Q219 R221 M251	F215-Q219 WeakPolarHBondContact O-CB 3.49Å; F215-Q219 VanDerWaalsContact O-CG 3.31Å; F215-Q219 WeakPolarHBondContact O-CG 3.49Å; F215-R221 WeakPolarHBondContact O-CD 3.5Å; F215-M251 HydrophobicContact CB-CE 4.41Å; F215-M251 HydrophobicContact CB-SD 3.9Å; F215-M251 HydrophobicContact CD2-SD 4.14Å
216	Y	98.8	Very high	98.6	Very high	102 Å²	102	45.1 Å²	45.1	40%	0.4	25%	0.254	S	S	.	.	S	Bend	trans	-92.8	-90.4	-172.6	-69	-82.6	0	0	0	112.1	D214 G218 Q219 G220 R221	D214-Y216 VanDerWaalsContact OD2-C 3.28Å; D214-Y216 WeakPolarHBondContact OD2-CA 3.44Å; D214-Y216 PolarHBondContact OD2-N 2.94Å; Y216-G218 PolarHBondContact O-N 3.48Å; Y216-Q219 CarbonylContact O-C 3.59Å; Y216-Q219 PolarHBondContact O-N 2.94Å; Y216-Q219 VanDerWaalsContact O-N 3.08Å; Y216-G220 PolarHBondContact O-N 3.15Å; Y216-G220 VanDerWaalsContact O-N 3.17Å; Y216-R221 HydrophobicContact CD1-CB 4.44Å; Y216-R221 PolarHBondContact O-N 3.2Å
217	E	98.6	Very high	98.6	Very high	69 Å²	69	45.4 Å²	45.4	32%	0.322	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-59	-39.2	179.5	-66.7	-171	101.2	0	0	110.9	D214 Q219 G220 L226 S228 F229	D214-E217 PolarHBondContact OD2-N 2.93Å; E217-Q219 PolarHBondContact O-N 3.33Å; E217-Q219 VanDerWaalsContact O-N 3.15Å; E217-G220 PolarHBondContact O-N 3.13Å; E217-L226 WeakPolarHBondContact CG-O 3.19Å; E217-L226 WeakPolarHBondContact OE2-CB 3.42Å; E217-S228 PolarHBondContact OE1-N 2.93Å; E217-S228 PolarHBondContact OE1-OG 3.5Å; E217-F229 HydrophobicContact CB-CE1 4.09Å; E217-F229 HydrophobicContact CG-CE1 4.14Å
218	G	98.4	Very high	98.6	Very high	29 Å²	29	49.9 Å²	49.9	30%	0.299	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-61.2	-24	178	0	0	0	0	0	114.2	T212 D214 Y216	T212-G218 VanDerWaalsContact CG2-O 3.26Å; T212-G218 WeakPolarHBondContact CG2-O 3.23Å; D214-G218 PolarHBondContact OD2-N 2.96Å; Y216-G218 PolarHBondContact O-N 3.48Å
219	Q	98.7	Very high	98.6	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.019	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-106.9	9.6	174.8	-53.6	-172	8	0	0	112.9	T212 D214 F215 Y216 E217 R221 I249 R277	T212-Q219 HydrophobicContact CG2-CG 3.94Å; T212-Q219 WeakPolarHBondContact OG1-CG 3.16Å; T212-Q219 PolarHBondContact OG1-NE2 3.47Å; D214-Q219 WeakPolarHBondContact O-CG 3.5Å; F215-Q219 WeakPolarHBondContact O-CB 3.49Å; F215-Q219 VanDerWaalsContact O-CG 3.31Å; F215-Q219 WeakPolarHBondContact O-CG 3.49Å; Y216-Q219 CarbonylContact O-C 3.59Å; Y216-Q219 PolarHBondContact O-N 2.94Å; Y216-Q219 VanDerWaalsContact O-N 3.08Å; E217-Q219 PolarHBondContact O-N 3.33Å; E217-Q219 VanDerWaalsContact O-N 3.15Å; Q219-R221 HydrophobicContact CB-CG 4.26Å; Q219-R221 PolarHBondContact O-N 2.91Å; Q219-I249 HydrophobicContact CB-CG2 4.23Å; Q219-I249 HydrophobicContact CG-CG2 3.76Å; Q219-R277 VanDerWaalsContact O-CZ 3.27Å; Q219-R277 PolarHBondContact O-NH1 3.18Å; Q219-R277 PolarHBondContact O-NH2 3.23Å
220	G	98.5	Very high	98.6	Very high	7 Å²	7	52.9 Å²	52.9	7%	0.072	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	32.8	-178.2	0	0	0	0	0	113.6	Y216 E217 K234 R277	Y216-G220 PolarHBondContact O-N 3.15Å; Y216-G220 VanDerWaalsContact O-N 3.17Å; E217-G220 PolarHBondContact O-N 3.13Å; G220-K234 WeakPolarHBondContact O-CD 3.38Å; G220-K234 WeakPolarHBondContact O-CE 3.36Å; G220-K234 WeakPolarHBondContact O-CG 3.33Å; G220-R277 PolarHBondContact O-NH2 2.94Å
221	R	98.8	Very high	98.6	Very high	10 Å²	10	57 Å²	57	4%	0.038	33%	0.326	C	S	.	.			trans	-82.9	145.2	176.8	-57.4	-179.6	64.3	95.4	-9.4	111.3	F215 Y216 Q219 D223 F229 R277 D281	F215-R221 WeakPolarHBondContact O-CD 3.5Å; Y216-R221 HydrophobicContact CD1-CB 4.44Å; Y216-R221 PolarHBondContact O-N 3.2Å; Q219-R221 HydrophobicContact CB-CG 4.26Å; Q219-R221 PolarHBondContact O-N 2.91Å; R221-D223 VanDerWaalsContact CB-OD1 3.29Å; R221-D223 WeakPolarHBondContact CB-OD1 3.34Å; R221-D223 IonicContact CZ-OD1 2.8Å; R221-D223 IonicContact CZ-OD2 2.8Å; R221-D223 IonicContact NE-OD1 2.73Å; R221-D223 PolarHBondContact NE-OD1 3.17Å; R221-D223 IonicContact NE-OD2 2.78Å; R221-D223 IonicContact NH2-OD1 2.76Å; R221-D223 PolarHBondContact NH2-OD1 3.46Å; R221-D223 IonicContact NH2-OD2 3.07Å; R221-D223 PolarHBondContact NH2-OD2 3.27Å; R221-F229 WeakPolarHBondContact O-CZ 3.47Å; R221-R277 VanDerWaalsContact CG-NH2 3.33Å; R221-D281 HydrophobicContact CB-CB 4.35Å; R221-D281 HydrophobicContact CG-CB 4.48Å; R221-D281 PolarHBondContact NH1-O 3.46Å; R221-D281 PolarHBondContact NH2-O 3.35Å
222	L	98.8	Very high	98.6	Very high	63 Å²	63	62.7 Å²	62.7	33%	0.33	35%	0.353	S	S	.	.	S	Bend	trans	-98	2.7	179.8	-57.6	174.2	0	0	0	113.8	F229 H231 K234 D281	L222-F229 HydrophobicContact CD2-CD2 3.84Å; L222-F229 HydrophobicContact CD2-CE2 3.63Å; L222-H231 HydrophobicContact CD1-CB 3.77Å; L222-K234 HydrophobicContact CD1-CD 4.2Å; L222-K234 HydrophobicContact CG-CD 4.11Å; L222-D281 PolarHBondContact N-OD2 3.45Å
223	D	98.4	Very high	98.5	Very high	45 Å²	45	67.8 Å²	67.8	24%	0.241	38%	0.376	C	S	.	.	S	Bend	trans	-111.3	19	-172.4	64.2	-5.6	0	0	0	113	R221 D281 Q282	R221-D223 VanDerWaalsContact CB-OD1 3.29Å; R221-D223 WeakPolarHBondContact CB-OD1 3.34Å; R221-D223 IonicContact CZ-OD1 2.8Å; R221-D223 IonicContact CZ-OD2 2.8Å; R221-D223 IonicContact NE-OD1 2.73Å; R221-D223 PolarHBondContact NE-OD1 3.17Å; R221-D223 IonicContact NE-OD2 2.78Å; R221-D223 IonicContact NH2-OD1 2.76Å; R221-D223 PolarHBondContact NH2-OD1 3.46Å; R221-D223 IonicContact NH2-OD2 3.07Å; R221-D223 PolarHBondContact NH2-OD2 3.27Å; D223-D281 WeakPolarHBondContact OD2-CB 3.35Å; D223-Q282 PolarHBondContact OD2-NE2 3.27Å
224	G	98.3	Very high	98.6	Very high	22 Å²	22	62.2 Å²	62.2	23%	0.227	35%	0.35	C	S	.	.	S	Bend	trans	-82.8	170	173.2	0	0	0	0	0	113	L226	G224-L226 PolarHBondContact O-N 3.38Å
225	A	98.6	Very high	98.6	Very high	110 Å²	110	61 Å²	61	91%	0.909	34%	0.343	S	S	*	.	S	Bend	trans	-69.1	-24.3	171.4	0	0	0	0	0	112.6
226	L	98.6	Very high	98.6	Very high	121 Å²	121	60.8 Å²	60.8	63%	0.634	34%	0.344	S	S	*	.			trans	-122.9	139.6	175.3	-58.8	176.5	0	0	0	108.5	E217 G224	E217-L226 WeakPolarHBondContact CG-O 3.19Å; E217-L226 WeakPolarHBondContact OE2-CB 3.42Å; G224-L226 PolarHBondContact O-N 3.38Å
227	C	98.6	Very high	98.6	Very high	63 Å²	63	59 Å²	59	43%	0.426	34%	0.336	S	S	.	.			trans	-152.4	115	175.6	-171.8	0	0	0	0	109.2	F229	C227-F229 PolarHBondContact SG-O 3.23Å; C227-F229 VanDerWaalsContact SG-O 3.33Å
228	S	98.1	Very high	98.6	Very high	103 Å²	103	55.7 Å²	55.7	72%	0.72	32%	0.321	S	S	*	.			trans	-109.2	9.4	-174.5	49.7	0	0	0	0	113.7	E217	E217-S228 PolarHBondContact OE1-N 2.93Å; E217-S228 PolarHBondContact OE1-OG 3.5Å
229	F	98.6	Very high	98.6	Very high	44 Å²	44	59.4 Å²	59.4	19%	0.193	33%	0.326	C	S	.	.	S	Bend	trans	-139.1	161.6	-176.9	50.1	-92.5	0	0	0	111.9	E217 R221 L222 C227 E233 K234	E217-F229 HydrophobicContact CB-CE1 4.09Å; E217-F229 HydrophobicContact CG-CE1 4.14Å; R221-F229 WeakPolarHBondContact O-CZ 3.47Å; L222-F229 HydrophobicContact CD2-CD2 3.84Å; L222-F229 HydrophobicContact CD2-CE2 3.63Å; C227-F229 PolarHBondContact SG-O 3.23Å; C227-F229 VanDerWaalsContact SG-O 3.33Å; F229-E233 HydrophobicContact CB-CB 4.23Å; F229-K234 HydrophobicContact CD2-CB 4.44Å; F229-K234 HydrophobicContact CE2-CB 4.47Å
230	S	98.7	Very high	98.6	Very high	44 Å²	44	64.1 Å²	64.1	31%	0.308	35%	0.346	S	S	.	.			trans	-86	168.5	177.9	62	0	0	0	0	113.1	E232 E233 K234	S230-E232 VanDerWaalsContact C-N 3.29Å; S230-E232 PolarHBondContact O-N 2.87Å; S230-E233 WeakPolarHBondContact CB-OE2 3.3Å; S230-E233 PolarHBondContact N-OE2 3Å; S230-E233 PolarHBondContact O-N 2.82Å; S230-E233 VanDerWaalsContact OG-CG 3.3Å; S230-E233 WeakPolarHBondContact OG-CG 3.18Å; S230-E233 PolarHBondContact OG-N 3.41Å; S230-E233 PolarHBondContact OG-OE2 3.29Å; S230-K234 PolarHBondContact O-N 2.83Å; S230-K234 VanDerWaalsContact O-N 3.11Å
231	H	98.6	Very high	98.7	Very high	85 Å²	85	63.8 Å²	63.8	39%	0.394	34%	0.343	S	S	.	.	H	α-helix	trans	-63.2	-36.8	172.9	176.2	-113.4	0	0	0	112.2	L222 K234 L235	L222-H231 HydrophobicContact CD1-CB 3.77Å; H231-K234 WeakPolarHBondContact O-CB 3.35Å; H231-K234 PolarHBondContact O-N 3.32Å; H231-L235 WeakPolarHBondContact CE1-CD1 3.23Å; H231-L235 WeakPolarHBondContact O-CG 3.5Å; H231-L235 PolarHBondContact O-N 3.35Å
232	E	98.8	Very high	98.7	Very high	126 Å²	126	67.7 Å²	67.7	59%	0.589	36%	0.358	S	S	*	.	H	α-helix	trans	-65.1	-43.6	177.9	-66.5	68.4	-151.1	0	0	111.4	S230 L235 E236	S230-E232 VanDerWaalsContact C-N 3.29Å; S230-E232 PolarHBondContact O-N 2.87Å; E232-L235 PolarHBondContact O-N 2.87Å; E232-E236 WeakPolarHBondContact O-CB 3.15Å; E232-E236 PolarHBondContact O-N 3.36Å
233	E	98.7	Very high	98.7	Very high	112 Å²	112	71.9 Å²	71.9	52%	0.523	38%	0.376	S	S	.	.	H	α-helix	trans	-63.8	-41.3	175.9	-74.6	166.4	122.2	0	0	112	F229 S230 E236 Y237	F229-E233 HydrophobicContact CB-CB 4.23Å; S230-E233 WeakPolarHBondContact CB-OE2 3.3Å; S230-E233 PolarHBondContact N-OE2 3Å; S230-E233 PolarHBondContact O-N 2.82Å; S230-E233 VanDerWaalsContact OG-CG 3.3Å; S230-E233 WeakPolarHBondContact OG-CG 3.18Å; S230-E233 PolarHBondContact OG-N 3.41Å; S230-E233 PolarHBondContact OG-OE2 3.29Å; E233-E236 PolarHBondContact O-N 3.03Å; E233-Y237 WeakPolarHBondContact O-CB 3.41Å; E233-Y237 PolarHBondContact O-N 3.43Å
234	K	98.7	Very high	98.7	Very high	6 Å²	6	71.8 Å²	71.8	3%	0.026	38%	0.382	C	S	.	.	H	α-helix	trans	-55	-54.3	170.7	165.5	-169.7	179.4	-173.9	0	111	G220 L222 F229 S230 H231 E236 Y237 L238 D281	G220-K234 WeakPolarHBondContact O-CD 3.38Å; G220-K234 WeakPolarHBondContact O-CE 3.36Å; G220-K234 WeakPolarHBondContact O-CG 3.33Å; L222-K234 HydrophobicContact CD1-CD 4.2Å; L222-K234 HydrophobicContact CG-CD 4.11Å; F229-K234 HydrophobicContact CD2-CB 4.44Å; F229-K234 HydrophobicContact CE2-CB 4.47Å; S230-K234 PolarHBondContact O-N 2.83Å; S230-K234 VanDerWaalsContact O-N 3.11Å; H231-K234 WeakPolarHBondContact O-CB 3.35Å; H231-K234 PolarHBondContact O-N 3.32Å; K234-E236 VanDerWaalsContact C-N 3.3Å; K234-E236 PolarHBondContact O-N 3.09Å; K234-Y237 PolarHBondContact O-N 2.89Å; K234-L238 HydrophobicContact CG-CD1 3.98Å; K234-L238 HydrophobicContact CG-CG 4.45Å; K234-L238 WeakPolarHBondContact O-CG 3.24Å; K234-L238 PolarHBondContact O-N 2.86Å; K234-D281 WeakPolarHBondContact CE-OD1 3.49Å; K234-D281 IonicContact NZ-OD1 3.87Å; K234-D281 PolarHBondContact NZ-OD1 3.07Å; K234-D281 IonicContact NZ-OD2 2.76Å; K234-D281 PolarHBondContact NZ-OD2 3.5Å
235	L	98.8	Very high	98.7	Very high	41 Å²	41	71.8 Å²	71.8	22%	0.215	38%	0.382	C	S	.	.	H	α-helix	trans	-64.6	-36.6	-175.9	-70.8	-178.7	0	0	0	111.9	H231 E232 R239 F278	H231-L235 WeakPolarHBondContact CE1-CD1 3.23Å; H231-L235 WeakPolarHBondContact O-CG 3.5Å; H231-L235 PolarHBondContact O-N 3.35Å; E232-L235 PolarHBondContact O-N 2.87Å; L235-R239 WeakPolarHBondContact O-CB 3.1Å; L235-R239 WeakPolarHBondContact O-CG 3.35Å; L235-R239 PolarHBondContact O-N 2.8Å; L235-R239 PolarHBondContact O-NE 3.39Å; L235-F278 HydrophobicContact CD2-CD1 3.95Å
236	E	98.8	Very high	98.7	Very high	71 Å²	71	66.5 Å²	66.5	33%	0.332	34%	0.338	S	S	.	.	H	α-helix	trans	-61.2	-47.3	172.9	-178.4	62.5	-151.6	0	0	111.6	E232 E233 K234 R239 K240	E232-E236 WeakPolarHBondContact O-CB 3.15Å; E232-E236 PolarHBondContact O-N 3.36Å; E233-E236 PolarHBondContact O-N 3.03Å; K234-E236 VanDerWaalsContact C-N 3.3Å; K234-E236 PolarHBondContact O-N 3.09Å; E236-R239 PolarHBondContact O-N 2.78Å; E236-R239 IonicContact OE1-NH1 2.7Å; E236-R239 IonicContact OE2-CZ 2.95Å; E236-R239 IonicContact OE2-NH1 3.07Å; E236-R239 PolarHBondContact OE2-NH1 3.08Å; E236-R239 IonicContact OE2-NH2 3.78Å; E236-R239 PolarHBondContact OE2-NH2 2.92Å; E236-K240 WeakPolarHBondContact O-CG 3.36Å; E236-K240 PolarHBondContact O-N 3.07Å; E236-K240 WeakPolarHBondContact OE1-CE 3.23Å; E236-K240 IonicContact OE1-NZ 2.76Å
237	Y	98.8	Very high	98.7	Very high	63 Å²	63	63.5 Å²	63.5	25%	0.247	32%	0.319	C	S	.	.	H	α-helix	trans	-62.4	-44.6	177.7	-178.1	-111.9	0	0	0	112.3	Y163 F165 M210 E233 K234 R239 K240 A241	Y163-Y237 PolarHBondContact O-OH 2.76Å; F165-Y237 AromaticContact CE1-CE2 3.91Å; F165-Y237 HydrophobicContact CE1-CE2 3.91Å; F165-Y237 AromaticContact CE1-CZ 3.85Å; F165-Y237 HydrophobicContact CE2-CE2 4.39Å; F165-Y237 AromaticContact CZ-CD2 3.93Å; F165-Y237 HydrophobicContact CZ-CD2 3.93Å; F165-Y237 AromaticContact CZ-CE2 3.44Å; F165-Y237 HydrophobicContact CZ-CE2 3.44Å; F165-Y237 VanDerWaalsContact CZ-CE2 3.44Å; F165-Y237 AromaticContact CZ-CZ 3.88Å; M210-Y237 HydrophobicContact CE-CE1 3.86Å; M210-Y237 HydrophobicContact SD-CE1 4.13Å; M210-Y237 PolarHBondContact SD-OH 3.12Å; M210-Y237 VanDerWaalsContact SD-OH 3.32Å; E233-Y237 WeakPolarHBondContact O-CB 3.41Å; E233-Y237 PolarHBondContact O-N 3.43Å; K234-Y237 PolarHBondContact O-N 2.89Å; Y237-R239 VanDerWaalsContact C-N 3.34Å; Y237-R239 PolarHBondContact O-N 3.01Å; Y237-K240 PolarHBondContact O-N 3.32Å; Y237-A241 PolarHBondContact O-N 3.11Å
238	L	98.9	Very high	98.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-64.8	-35.7	176.8	-67.8	177.9	0	0	0	112.6	K234 A241 Y242 I249 R277 F278	K234-L238 HydrophobicContact CG-CD1 3.98Å; K234-L238 HydrophobicContact CG-CG 4.45Å; K234-L238 WeakPolarHBondContact O-CG 3.24Å; K234-L238 PolarHBondContact O-N 2.86Å; L238-A241 PolarHBondContact O-N 3.12Å; L238-Y242 WeakPolarHBondContact O-CB 3.42Å; L238-Y242 PolarHBondContact O-N 3.33Å; L238-I249 HydrophobicContact CD2-CD1 3.68Å; L238-R277 HydrophobicContact CD1-CB 3.85Å; L238-R277 HydrophobicContact CD2-CB 4.41Å; L238-F278 HydrophobicContact CB-CD1 4.23Å; L238-F278 HydrophobicContact CB-CE1 3.56Å; L238-F278 HydrophobicContact CB-CZ 4Å; L238-F278 HydrophobicContact CD1-CD1 4.47Å
239	R	98.9	Very high	98.8	Very high	107 Å²	107	55.7 Å²	55.7	40%	0.404	26%	0.264	S	S	.	.	H	α-helix	trans	-63.5	-46.5	173.3	-80.7	-174.1	-79.1	107.7	-0.1	111.3	L235 E236 Y237 A241 Y242 E243 F278	L235-R239 WeakPolarHBondContact O-CB 3.1Å; L235-R239 WeakPolarHBondContact O-CG 3.35Å; L235-R239 PolarHBondContact O-N 2.8Å; L235-R239 PolarHBondContact O-NE 3.39Å; E236-R239 PolarHBondContact O-N 2.78Å; E236-R239 IonicContact OE1-NH1 2.7Å; E236-R239 IonicContact OE2-CZ 2.95Å; E236-R239 IonicContact OE2-NH1 3.07Å; E236-R239 PolarHBondContact OE2-NH1 3.08Å; E236-R239 IonicContact OE2-NH2 3.78Å; E236-R239 PolarHBondContact OE2-NH2 2.92Å; Y237-R239 VanDerWaalsContact C-N 3.34Å; Y237-R239 PolarHBondContact O-N 3.01Å; R239-A241 VanDerWaalsContact C-N 3.31Å; R239-A241 PolarHBondContact O-N 2.72Å; R239-Y242 WeakPolarHBondContact O-CB 3.35Å; R239-Y242 PolarHBondContact O-N 2.98Å; R239-Y242 VanDerWaalsContact O-N 3.17Å; R239-E243 WeakPolarHBondContact O-CB 3.29Å; R239-E243 WeakPolarHBondContact O-CG 3.29Å; R239-E243 PolarHBondContact O-N 2.8Å; R239-F278 HydrophobicContact CG-CE1 3.87Å; R239-F278 HydrophobicContact CG-CZ 4.19Å
240	K	98.9	Very high	98.8	Very high	103 Å²	103	53.8 Å²	53.8	45%	0.448	26%	0.256	S	S	.	.	H	α-helix	trans	-59.1	-42.2	174.6	-68.7	176.3	-175.2	173.5	0	112.2	F165 E236 Y237 E243 A244	F165-K240 HydrophobicContact CE2-CB 3.8Å; F165-K240 HydrophobicContact CZ-CB 4.19Å; E236-K240 WeakPolarHBondContact O-CG 3.36Å; E236-K240 PolarHBondContact O-N 3.07Å; E236-K240 WeakPolarHBondContact OE1-CE 3.23Å; E236-K240 IonicContact OE1-NZ 2.76Å; Y237-K240 PolarHBondContact O-N 3.32Å; K240-E243 PolarHBondContact O-N 3Å; K240-A244 WeakPolarHBondContact O-CB 3.5Å; K240-A244 PolarHBondContact O-N 2.98Å
241	A	98.9	Very high	98.8	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60	-48.2	175.2	0	0	0	0	0	111.1	F165 Y237 L238 R239 E243 A244 G245 V246	F165-A241 HydrophobicContact CD1-CB 4.06Å; F165-A241 HydrophobicContact CE1-CB 3.4Å; F165-A241 VanDerWaalsContact CE1-CB 3.4Å; F165-A241 HydrophobicContact CZ-CB 3.73Å; Y237-A241 PolarHBondContact O-N 3.11Å; L238-A241 PolarHBondContact O-N 3.12Å; R239-A241 VanDerWaalsContact C-N 3.31Å; R239-A241 PolarHBondContact O-N 2.72Å; A241-E243 PolarHBondContact O-N 2.92Å; A241-A244 CarbonylContact O-C 3.57Å; A241-A244 PolarHBondContact O-N 2.96Å; A241-A244 VanDerWaalsContact O-N 3.15Å; A241-G245 PolarHBondContact O-N 2.78Å; A241-V246 HydrophobicContact CB-CB 3.99Å; A241-V246 HydrophobicContact CB-CG1 4.4Å; A241-V246 HydrophobicContact CB-CG2 4.16Å; A241-V246 WeakPolarHBondContact O-CB 3.17Å; A241-V246 WeakPolarHBondContact O-CG2 3.27Å; A241-V246 PolarHBondContact O-N 3.48Å
242	Y	98.9	Very high	98.8	Very high	93 Å²	93	49.5 Å²	49.5	37%	0.365	23%	0.232	S	C	.	.	H	α-helix	trans	-59.9	-43.8	178.8	-175.1	-94.5	0	0	0	112.7	V147 L238 R239 A244 G245 R247	V147-Y242 HydrophobicContact CG1-CD2 4.13Å; V147-Y242 HydrophobicContact CG1-CG 4.5Å; V147-Y242 WeakPolarHBondContact O-CD2 3.38Å; L238-Y242 WeakPolarHBondContact O-CB 3.42Å; L238-Y242 PolarHBondContact O-N 3.33Å; R239-Y242 WeakPolarHBondContact O-CB 3.35Å; R239-Y242 PolarHBondContact O-N 2.98Å; R239-Y242 VanDerWaalsContact O-N 3.17Å; Y242-A244 VanDerWaalsContact C-N 3.3Å; Y242-A244 PolarHBondContact O-N 2.98Å; Y242-G245 PolarHBondContact O-N 2.75Å; Y242-R247 PolarHBondContact O-NH1 3.42Å
243	E	98.8	Very high	98.8	Very high	150 Å²	150	43.5 Å²	43.5	70%	0.701	20%	0.204	S	C	*	.	H	α-helix	trans	-62.9	-34.6	175.5	-72.6	169.2	-172.2	0	0	112	R239 K240 A241 G245	R239-E243 WeakPolarHBondContact O-CB 3.29Å; R239-E243 WeakPolarHBondContact O-CG 3.29Å; R239-E243 PolarHBondContact O-N 2.8Å; K240-E243 PolarHBondContact O-N 3Å; A241-E243 PolarHBondContact O-N 2.92Å; E243-G245 PolarHBondContact O-N 2.89Å
244	A	98.7	Very high	98.8	Very high	43 Å²	43	38.4 Å²	38.4	36%	0.355	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	8.1	171.9	0	0	0	0	0	114	F165 N208 K240 A241 Y242	F165-A244 HydrophobicContact CB-CB 3.73Å; F165-A244 HydrophobicContact CD2-CB 4.02Å; F165-A244 HydrophobicContact CG-CB 3.95Å; N208-A244 PolarHBondContact ND2-O 3.46Å; K240-A244 WeakPolarHBondContact O-CB 3.5Å; K240-A244 PolarHBondContact O-N 2.98Å; A241-A244 CarbonylContact O-C 3.57Å; A241-A244 PolarHBondContact O-N 2.96Å; A241-A244 VanDerWaalsContact O-N 3.15Å; Y242-A244 VanDerWaalsContact C-N 3.3Å; Y242-A244 PolarHBondContact O-N 2.98Å
245	G	98.7	Very high	98.9	Very high	22 Å²	22	38.1 Å²	38.1	23%	0.227	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	4.7	177.6	0	0	0	0	0	114.8	N208 A241 Y242 E243 R247	N208-G245 WeakPolarHBondContact CB-O 3.48Å; N208-G245 PolarHBondContact N-O 2.88Å; A241-G245 PolarHBondContact O-N 2.78Å; Y242-G245 PolarHBondContact O-N 2.75Å; E243-G245 PolarHBondContact O-N 2.89Å; G245-R247 PolarHBondContact O-N 3.49Å
246	V	98.9	Very high	98.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	134.3	174.4	-179	0	0	0	0	109.7	V147 V161 F165 N208 M210 A241 N248	V147-V246 HydrophobicContact CG2-CG1 4.36Å; V161-V246 HydrophobicContact CG2-CG2 3.77Å; F165-V246 HydrophobicContact CD1-CG2 4.18Å; N208-V246 HydrophobicContact CB-CG2 4.31Å; N208-V246 CarbonylContact O-C 3.55Å; N208-V246 WeakPolarHBondContact O-CA 3.47Å; M210-V246 HydrophobicContact CB-CG1 3.83Å; M210-V246 HydrophobicContact CB-CG2 4.35Å; A241-V246 HydrophobicContact CB-CB 3.99Å; A241-V246 HydrophobicContact CB-CG1 4.4Å; A241-V246 HydrophobicContact CB-CG2 4.16Å; A241-V246 WeakPolarHBondContact O-CB 3.17Å; A241-V246 WeakPolarHBondContact O-CG2 3.27Å; A241-V246 PolarHBondContact O-N 3.48Å; V246-N248 VanDerWaalsContact CG1-O 3.27Å; V246-N248 WeakPolarHBondContact CG1-O 3.38Å
247	R	98.9	Very high	98.9	Very high	58 Å²	58	32.8 Å²	32.8	22%	0.219	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	-17.5	177.6	-68.4	-62.2	175.9	-89.4	1.4	113.3	V147 L149 V155 N208 Y242 G245	V147-R247 PolarHBondContact N-O 2.8Å; L149-R247 HydrophobicContact CD1-CB 3.99Å; L149-R247 WeakPolarHBondContact CD1-O 3.48Å; V155-R247 HydrophobicContact CG1-CB 4.26Å; V155-R247 HydrophobicContact CG2-CB 4.36Å; N208-R247 PolarHBondContact O-N 2.81Å; Y242-R247 PolarHBondContact O-NH1 3.42Å; G245-R247 PolarHBondContact O-N 3.49Å
248	N	98.9	Very high	98.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	167.4	172.9	68.9	-26.1	0	0	0	113.1	S144 G145 V155 T209 M210 V246	S144-N248 WeakPolarHBondContact CB-ND2 3.5Å; S144-N248 WeakPolarHBondContact OG-CB 3.39Å; S144-N248 PolarHBondContact OG-ND2 3.19Å; G145-N248 CarbonylContact O-C 3.52Å; G145-N248 WeakPolarHBondContact O-CA 3.39Å; G145-N248 WeakPolarHBondContact O-CB 3.36Å; V155-N248 HydrophobicContact CB-CB 4.45Å; V155-N248 HydrophobicContact CG2-CB 4.06Å; T209-N248 WeakPolarHBondContact CA-OD1 3.49Å; T209-N248 VanDerWaalsContact CB-OD1 3.25Å; T209-N248 WeakPolarHBondContact CB-OD1 3.42Å; T209-N248 WeakPolarHBondContact CG2-OD1 3.38Å; T209-N248 PolarHBondContact OG1-OD1 3.07Å; M210-N248 PolarHBondContact N-O 3Å; V246-N248 VanDerWaalsContact CG1-O 3.27Å; V246-N248 WeakPolarHBondContact CG1-O 3.38Å
249	I	98.9	Very high	98.8	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	128.6	-176.6	-47.2	173.4	0	0	0	109.7	S144 G145 V147 M210 T212 Q219 L238	S144-I249 CarbonylContact C-O 3.52Å; S144-I249 VanDerWaalsContact CA-O 3.28Å; S144-I249 WeakPolarHBondContact CA-O 3.38Å; S144-I249 WeakPolarHBondContact CB-O 3.29Å; G145-I249 PolarHBondContact N-O 2.94Å; G145-I249 PolarHBondContact O-N 3.19Å; V147-I249 HydrophobicContact CG2-CD1 3.75Å; V147-I249 HydrophobicContact CG2-CG1 3.72Å; M210-I249 HydrophobicContact CB-CG1 4.38Å; M210-I249 HydrophobicContact CB-CG2 4.48Å; M210-I249 HydrophobicContact CE-CB 4.36Å; M210-I249 HydrophobicContact CE-CD1 3.62Å; M210-I249 HydrophobicContact CE-CG1 3.81Å; M210-I249 HydrophobicContact CE-CG2 3.63Å; M210-I249 VanDerWaalsContact O-CA 3.32Å; M210-I249 WeakPolarHBondContact O-CA 3.46Å; T212-I249 HydrophobicContact CG2-CG2 3.8Å; Q219-I249 HydrophobicContact CB-CG2 4.23Å; Q219-I249 HydrophobicContact CG-CG2 3.76Å; L238-I249 HydrophobicContact CD2-CD1 3.68Å
250	E	98.9	Very high	98.8	Very high	5 Å²	5	25.5 Å²	25.5	2%	0.023	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	-163.2	176.8	57.4	82.4	-105.8	0	0	110.3	R140 T209 M210 C211 T212 E252 S253	R140-E250 IonicContact CZ-OE2 2.88Å; R140-E250 IonicContact NE-OE2 3.72Å; R140-E250 PolarHBondContact NE-OE2 2.86Å; R140-E250 IonicContact NH2-OE2 3.94Å; R140-E250 PolarHBondContact NH2-OE2 3.04Å; T209-E250 HydrophobicContact CG2-CG 3.44Å; T209-E250 VanDerWaalsContact CG2-CG 3.44Å; M210-E250 PolarHBondContact O-N 3.26Å; C211-E250 CarbonylContact C-O 3.52Å; C211-E250 WeakPolarHBondContact CA-O 3.17Å; T212-E250 PolarHBondContact N-O 3.27Å; E250-E252 PolarHBondContact OE1-N 2.84Å; E250-E252 VanDerWaalsContact OE1-N 3.15Å; E250-E252 PolarHBondContact OE2-N 3.42Å; E250-S253 WeakPolarHBondContact OE1-CB 3.46Å; E250-S253 PolarHBondContact OE1-N 3.03Å; E250-S253 PolarHBondContact OE1-OG 3.33Å; E250-S253 PolarHBondContact OE2-N 2.93Å
251	M	98.9	Very high	98.7	Very high	26 Å²	26	26.6 Å²	26.6	13%	0.128	13%	0.127	C	C	.	.	S	Bend	trans	-133.7	14.5	-163.3	-63.6	179.1	70.3	0	0	115.7	G113 V114 T212 F215	G113-M251 CarbonylContact C-O 3.43Å; G113-M251 WeakPolarHBondContact CA-O 3.01Å; V114-M251 WeakPolarHBondContact CG2-O 3.37Å; V114-M251 PolarHBondContact N-O 3.44Å; T212-M251 WeakPolarHBondContact O-CA 3.41Å; T212-M251 WeakPolarHBondContact O-CB 3.46Å; F215-M251 HydrophobicContact CB-CE 4.41Å; F215-M251 HydrophobicContact CB-SD 3.9Å; F215-M251 HydrophobicContact CD2-SD 4.14Å
252	E	98.9	Very high	98.6	Very high	12 Å²	12	29.3 Å²	29.3	6%	0.056	14%	0.144	C	C	.	.	S	Bend	trans	-145.8	-14.6	-171.1	-66.4	86	175	0	0	115	M112 G113 I117 R140 C211 E250 T254 V255 F256	M112-E252 VanDerWaalsContact CA-OE1 3.29Å; M112-E252 WeakPolarHBondContact CA-OE1 3.38Å; G113-E252 PolarHBondContact N-OE1 3.16Å; I117-E252 HydrophobicContact CB-CB 4.36Å; I117-E252 HydrophobicContact CB-CG 4.13Å; I117-E252 HydrophobicContact CD1-CB 3.88Å; I117-E252 HydrophobicContact CD1-CG 4.31Å; I117-E252 HydrophobicContact CG2-CB 3.8Å; I117-E252 HydrophobicContact CG2-CG 3.82Å; R140-E252 IonicContact CZ-OE2 2.94Å; R140-E252 IonicContact NH1-OE2 2.67Å; R140-E252 VanDerWaalsContact NH2-CD 3.34Å; R140-E252 IonicContact NH2-OE2 3.28Å; R140-E252 PolarHBondContact NH2-OE2 3.32Å; C211-E252 PolarHBondContact SG-N 2.83Å; E250-E252 PolarHBondContact OE1-N 2.84Å; E250-E252 VanDerWaalsContact OE1-N 3.15Å; E250-E252 PolarHBondContact OE2-N 3.42Å; E252-T254 PolarHBondContact O-N 2.9Å; E252-V255 WeakPolarHBondContact O-CG1 3.22Å; E252-F256 WeakPolarHBondContact O-CB 3.07Å; E252-F256 PolarHBondContact O-N 3.21Å
253	S	98.9	Very high	98.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.9	-32.4	-169.1	57.9	0	0	0	0	114	A160 E250 F256 A257	A160-S253 WeakPolarHBondContact CB-OG 3.42Å; E250-S253 WeakPolarHBondContact OE1-CB 3.46Å; E250-S253 PolarHBondContact OE1-N 3.03Å; E250-S253 PolarHBondContact OE1-OG 3.33Å; E250-S253 PolarHBondContact OE2-N 2.93Å; S253-F256 PolarHBondContact O-N 3.42Å; S253-A257 VanDerWaalsContact O-CB 3.3Å; S253-A257 WeakPolarHBondContact O-CB 3.41Å; S253-A257 PolarHBondContact O-N 3.46Å
254	T	98.8	Very high	98.3	Very high	5 Å²	5	21.4 Å²	21.4	3%	0.031	13%	0.128	C	C	.	.	H	α-helix	trans	-65.9	-50.7	-178.2	48.8	0	0	0	0	112.1	A160 T182 C211 E252 F256 A257 A258	A160-T254 HydrophobicContact CB-CG2 4.07Å; T182-T254 HydrophobicContact CG2-CG2 4.29Å; T182-T254 VanDerWaalsContact CG2-O 3.31Å; T182-T254 WeakPolarHBondContact CG2-O 3.4Å; C211-T254 HydrophobicContact CB-CG2 3.42Å; C211-T254 VanDerWaalsContact CB-CG2 3.42Å; C211-T254 PolarHBondContact SG-OG1 2.99Å; E252-T254 PolarHBondContact O-N 2.9Å; T254-F256 VanDerWaalsContact C-N 3.33Å; T254-F256 PolarHBondContact O-N 3.43Å; T254-A257 PolarHBondContact O-N 3.35Å; T254-A258 VanDerWaalsContact O-CB 3.3Å; T254-A258 WeakPolarHBondContact O-CB 3.48Å; T254-A258 PolarHBondContact O-N 2.93Å
255	V	98.8	Very high	98.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-67.4	-36	177.7	67	0	0	0	0	111.9	V114 I117 F169 E252 A258 M259	V114-V255 HydrophobicContact CB-CG1 4.16Å; V114-V255 HydrophobicContact CG1-CB 3.98Å; V114-V255 HydrophobicContact CG1-CG1 3.92Å; V114-V255 HydrophobicContact CG1-CG2 4.45Å; V114-V255 HydrophobicContact CG2-CB 4.49Å; V114-V255 HydrophobicContact CG2-CG1 4.03Å; I117-V255 HydrophobicContact CG2-CG1 3.35Å; F169-V255 HydrophobicContact CD1-CB 4.43Å; F169-V255 HydrophobicContact CD1-CG2 4.4Å; F169-V255 HydrophobicContact CD2-CB 4.22Å; F169-V255 HydrophobicContact CE1-CB 4.04Å; F169-V255 HydrophobicContact CE1-CG2 3.72Å; F169-V255 HydrophobicContact CE2-CB 3.84Å; F169-V255 HydrophobicContact CE2-CG2 4.3Å; F169-V255 HydrophobicContact CZ-CB 3.74Å; F169-V255 HydrophobicContact CZ-CG2 3.66Å; E252-V255 WeakPolarHBondContact O-CG1 3.22Å; V255-A258 PolarHBondContact O-N 2.9Å; V255-M259 HydrophobicContact CG2-CG 4.05Å; V255-M259 HydrophobicContact CG2-SD 3.71Å; V255-M259 WeakPolarHBondContact O-CB 3.43Å; V255-M259 VanDerWaalsContact O-CG 3.31Å; V255-M259 WeakPolarHBondContact O-CG 2.99Å; V255-M259 PolarHBondContact O-N 2.89Å
256	F	98.9	Very high	98.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.3	-52.6	174.9	176.4	-94.4	0	0	0	111.5	V60 I117 L121 L138 R140 E252 S253 T254 C260 A267 V269	V60-F256 HydrophobicContact CG2-CD2 4.35Å; V60-F256 HydrophobicContact CG2-CE2 3.92Å; I117-F256 HydrophobicContact CD1-CB 4.2Å; I117-F256 HydrophobicContact CD1-CD2 4.14Å; L121-F256 HydrophobicContact CD1-CB 4.22Å; L121-F256 HydrophobicContact CD1-CD2 4.1Å; L121-F256 HydrophobicContact CD2-CD2 3.99Å; L121-F256 HydrophobicContact CD2-CE2 4.31Å; L138-F256 HydrophobicContact CB-CE2 4.19Å; L138-F256 HydrophobicContact CB-CZ 3.89Å; R140-F256 HydrophobicContact CB-CD1 4.29Å; R140-F256 HydrophobicContact CB-CD2 4.32Å; R140-F256 HydrophobicContact CB-CE1 4.03Å; R140-F256 HydrophobicContact CB-CE2 4.1Å; R140-F256 HydrophobicContact CB-CG 4.42Å; R140-F256 HydrophobicContact CB-CZ 3.94Å; E252-F256 WeakPolarHBondContact O-CB 3.07Å; E252-F256 PolarHBondContact O-N 3.21Å; S253-F256 PolarHBondContact O-N 3.42Å; T254-F256 VanDerWaalsContact C-N 3.33Å; T254-F256 PolarHBondContact O-N 3.43Å; F256-C260 WeakPolarHBondContact O-CB 3.32Å; F256-C260 PolarHBondContact O-N 3.14Å; F256-C260 VanDerWaalsContact O-N 3.1Å; F256-C260 PolarHBondContact O-SG 3.2Å; F256-A267 HydrophobicContact CE1-CB 3.71Å; F256-A267 HydrophobicContact CZ-CB 3.96Å; F256-V269 HydrophobicContact CD1-CG2 3.51Å; F256-V269 HydrophobicContact CE1-CG2 3.72Å
257	A	98.8	Very high	98.1	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.008	13%	0.129	C	C	.	.	H	α-helix	trans	-61.8	-47.9	178.3	0	0	0	0	0	111.6	A160 T182 L184 S253 T254 M259 C260 R261	A160-A257 HydrophobicContact CB-CB 4.29Å; T182-A257 VanDerWaalsContact O-CB 3.31Å; T182-A257 WeakPolarHBondContact O-CB 3.29Å; L184-A257 HydrophobicContact CD2-CB 3.62Å; L184-A257 HydrophobicContact CG-CB 4.01Å; S253-A257 VanDerWaalsContact O-CB 3.3Å; S253-A257 WeakPolarHBondContact O-CB 3.41Å; S253-A257 PolarHBondContact O-N 3.46Å; T254-A257 PolarHBondContact O-N 3.35Å; A257-M259 PolarHBondContact O-N 2.92Å; A257-C260 PolarHBondContact O-N 2.94Å; A257-R261 VanDerWaalsContact O-CB 3.24Å; A257-R261 WeakPolarHBondContact O-CB 3.37Å; A257-R261 PolarHBondContact O-N 3.39Å
258	A	98.7	Very high	98.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.8	-46.5	-178.6	0	0	0	0	0	112.8	F169 R180 S181 T182 T254 V255 V262	F169-A258 HydrophobicContact CB-CB 3.82Å; F169-A258 HydrophobicContact CD1-CB 3.86Å; F169-A258 HydrophobicContact CG-CB 4.17Å; R180-A258 HydrophobicContact CB-CB 3.87Å; S181-A258 WeakPolarHBondContact O-CA 3.37Å; T182-A258 HydrophobicContact CG2-CB 4.13Å; T254-A258 VanDerWaalsContact O-CB 3.3Å; T254-A258 WeakPolarHBondContact O-CB 3.48Å; T254-A258 PolarHBondContact O-N 2.93Å; V255-A258 PolarHBondContact O-N 2.9Å; A258-V262 WeakPolarHBondContact O-CB 3.2Å; A258-V262 VanDerWaalsContact O-CG2 3.27Å; A258-V262 WeakPolarHBondContact O-CG2 3.4Å; A258-V262 PolarHBondContact O-N 3.39Å
259	M	98.6	Very high	98.1	Very high	16 Å²	16	22 Å²	22	8%	0.079	12%	0.12	C	C	.	.	H	α-helix	trans	-68.1	-43.3	-179.2	-71.2	-178	70.7	0	0	111.9	L121 H122 I125 V255 A257 R261 V262 C263	L121-M259 HydrophobicContact CB-CE 3.62Å; L121-M259 HydrophobicContact CB-SD 3.78Å; L121-M259 HydrophobicContact CD1-CB 4.41Å; L121-M259 HydrophobicContact CD1-SD 3.91Å; H122-M259 HydrophobicContact CB-CE 4.24Å; H122-M259 WeakPolarHBondContact CD2-CE 3.39Å; I125-M259 HydrophobicContact CD1-CB 4.35Å; I125-M259 HydrophobicContact CD1-CE 4.34Å; V255-M259 HydrophobicContact CG2-CG 4.05Å; V255-M259 HydrophobicContact CG2-SD 3.71Å; V255-M259 WeakPolarHBondContact O-CB 3.43Å; V255-M259 VanDerWaalsContact O-CG 3.31Å; V255-M259 WeakPolarHBondContact O-CG 2.99Å; V255-M259 PolarHBondContact O-N 2.89Å; A257-M259 PolarHBondContact O-N 2.92Å; M259-R261 PolarHBondContact O-N 2.86Å; M259-V262 PolarHBondContact O-N 3.22Å; M259-C263 WeakPolarHBondContact O-CB 3.08Å; M259-C263 PolarHBondContact O-N 2.98Å; M259-C263 VanDerWaalsContact O-N 3.12Å; M259-C263 PolarHBondContact O-SG 3.47Å
260	C	98.3	Very high	98.1	Very high	1 Å²	1	22 Å²	22	1%	0.007	12%	0.119	C	C	.	.	H	α-helix	trans	-59.9	-47.8	176.3	-66.7	0	0	0	0	110.8	F256 A257 V262 C263 G264 L265 A267	F256-C260 WeakPolarHBondContact O-CB 3.32Å; F256-C260 PolarHBondContact O-N 3.14Å; F256-C260 VanDerWaalsContact O-N 3.1Å; F256-C260 PolarHBondContact O-SG 3.2Å; A257-C260 PolarHBondContact O-N 2.94Å; C260-V262 PolarHBondContact O-N 3.4Å; C260-C263 CarbonylContact O-C 3.57Å; C260-C263 PolarHBondContact O-N 3.3Å; C260-C263 VanDerWaalsContact O-N 3.17Å; C260-G264 PolarHBondContact O-N 2.96Å; C260-L265 HydrophobicContact CB-CB 4.09Å; C260-L265 PolarHBondContact O-N 3.15Å; C260-A267 HydrophobicContact CB-CB 3.64Å
261	R	96.6	Very high	98.1	Very high	125 Å²	125	21.8 Å²	21.8	47%	0.472	12%	0.118	S	C	.	.	H	α-helix	trans	-60.3	-47.4	178.9	-172.5	175.9	-173	79.4	-6.9	112.5	S181 E183 A257 M259 C263 G264	S181-R261 PolarHBondContact OG-NE 3.36Å; E183-R261 PolarHBondContact O-NH1 2.75Å; E183-R261 IonicContact OE2-CZ 3.81Å; E183-R261 VanDerWaalsContact OE2-CZ 3.3Å; E183-R261 IonicContact OE2-NE 3.69Å; E183-R261 IonicContact OE2-NH2 3.78Å; E183-R261 PolarHBondContact OE2-NH2 2.85Å; A257-R261 VanDerWaalsContact O-CB 3.24Å; A257-R261 WeakPolarHBondContact O-CB 3.37Å; A257-R261 PolarHBondContact O-N 3.39Å; M259-R261 PolarHBondContact O-N 2.86Å; R261-C263 PolarHBondContact O-N 3.48Å; R261-G264 PolarHBondContact O-N 2.91Å; R261-G264 VanDerWaalsContact O-N 3.07Å
262	V	96.2	Very high	98.1	Very high	57 Å²	57	20.5 Å²	20.5	35%	0.345	11%	0.112	S	C	.	.	H	α-helix	trans	-60.7	-31.9	178	167.1	0	0	0	0	112.2	K24 R180 A258 M259 C260	K24-V262 HydrophobicContact CB-CG1 4.41Å; K24-V262 VanDerWaalsContact CE-O 3.31Å; K24-V262 WeakPolarHBondContact CE-O 3.32Å; K24-V262 HydrophobicContact CG-CG1 3.87Å; R180-V262 HydrophobicContact CG-CG2 4.49Å; A258-V262 WeakPolarHBondContact O-CB 3.2Å; A258-V262 VanDerWaalsContact O-CG2 3.27Å; A258-V262 WeakPolarHBondContact O-CG2 3.4Å; A258-V262 PolarHBondContact O-N 3.39Å; M259-V262 PolarHBondContact O-N 3.22Å; C260-V262 PolarHBondContact O-N 3.4Å
263	C	96.3	Very high	98.1	Very high	20 Å²	20	20 Å²	20	14%	0.135	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	3.8	178.9	-57.3	0	0	0	0	113.6	Q22 I125 M259 C260 R261 L265	Q22-C263 WeakPolarHBondContact O-CB 3.04Å; I125-C263 HydrophobicContact CD1-CB 4.47Å; I125-C263 HydrophobicContact CG2-CB 4.16Å; M259-C263 WeakPolarHBondContact O-CB 3.08Å; M259-C263 PolarHBondContact O-N 2.98Å; M259-C263 VanDerWaalsContact O-N 3.12Å; M259-C263 PolarHBondContact O-SG 3.47Å; C260-C263 CarbonylContact O-C 3.57Å; C260-C263 PolarHBondContact O-N 3.3Å; C260-C263 VanDerWaalsContact O-N 3.17Å; R261-C263 PolarHBondContact O-N 3.48Å; C263-L265 VanDerWaalsContact C-N 3.27Å; C263-L265 HydrophobicContact CB-CD1 4.25Å; C263-L265 HydrophobicContact CB-CG 4.37Å; C263-L265 PolarHBondContact O-N 3.49Å
264	G	95.4	Very high	98.1	Very high	58 Å²	58	20.7 Å²	20.7	60%	0.598	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.8	23.5	-180	0	0	0	0	0	114.2	C260 R261	C260-G264 PolarHBondContact O-N 2.96Å; R261-G264 PolarHBondContact O-N 2.91Å; R261-G264 VanDerWaalsContact O-N 3.07Å
265	L	96.3	Very high	98.1	Very high	17 Å²	17	21.2 Å²	21.2	9%	0.089	12%	0.116	C	C	.	.			trans	-88.6	132.8	178	-70	168.3	0	0	0	110.4	V21 I125 V136 L138 C260 C263	V21-L265 HydrophobicContact CB-CD2 4.44Å; V21-L265 HydrophobicContact CG1-CD1 4.48Å; V21-L265 HydrophobicContact CG1-CD2 4.04Å; V21-L265 HydrophobicContact CG2-CD2 3.77Å; I125-L265 HydrophobicContact CD1-CD1 4.2Å; I125-L265 HydrophobicContact CG1-CD1 3.85Å; I125-L265 HydrophobicContact CG2-CD1 4.44Å; V136-L265 HydrophobicContact CB-CD2 4.45Å; L138-L265 HydrophobicContact CD1-CB 4.38Å; L138-L265 HydrophobicContact CD1-CD1 4.07Å; L138-L265 HydrophobicContact CD1-CD2 4.15Å; L138-L265 HydrophobicContact CD1-CG 4.45Å; L138-L265 HydrophobicContact CD2-CD1 4.12Å; C260-L265 HydrophobicContact CB-CB 4.09Å; C260-L265 PolarHBondContact O-N 3.15Å; C263-L265 VanDerWaalsContact C-N 3.27Å; C263-L265 HydrophobicContact CB-CD1 4.25Å; C263-L265 HydrophobicContact CB-CG 4.37Å; C263-L265 PolarHBondContact O-N 3.49Å
266	K	97.3	Very high	98.1	Very high	114 Å²	114	22.3 Å²	22.3	50%	0.496	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	133.4	166.5	-68.4	-169.5	174.5	-173.3	0	109	V137 L138 V188	V137-K266 WeakPolarHBondContact CA-O 3.46Å; V137-K266 HydrophobicContact CG1-CB 4.21Å; V137-K266 HydrophobicContact CG2-CB 4.28Å; L138-K266 PolarHBondContact N-O 2.85Å; V188-K266 HydrophobicContact CG2-CB 4.36Å; V188-K266 HydrophobicContact CG2-CD 4.26Å
267	A	98.4	Very high	98	Very high	3 Å²	3	22.3 Å²	22.3	3%	0.025	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	151.6	-177.8	0	0	0	0	0	112.4	L138 L184 F256 C260	L138-A267 HydrophobicContact CB-CB 4.18Å; L138-A267 CarbonylContact O-C 3.56Å; L138-A267 WeakPolarHBondContact O-CA 3.19Å; L184-A267 HydrophobicContact CD2-CB 4.1Å; F256-A267 HydrophobicContact CE1-CB 3.71Å; F256-A267 HydrophobicContact CZ-CB 3.96Å; C260-A267 HydrophobicContact CB-CB 3.64Å
268	A	98.9	Very high	98	Very high	2 Å²	2	24.9 Å²	24.9	2%	0.017	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	150.3	172.2	0	0	0	0	0	111.1	L138 F139 R140 V188 L192	L138-A268 PolarHBondContact O-N 3.41Å; F139-A268 WeakPolarHBondContact CA-O 3.38Å; F139-A268 HydrophobicContact CD1-CB 3.97Å; F139-A268 HydrophobicContact CE1-CB 4.15Å; R140-A268 PolarHBondContact N-O 2.53Å; V188-A268 HydrophobicContact CG1-CB 3.71Å; L192-A268 HydrophobicContact CD1-CB 3.65Å
269	V	98.9	Very high	98	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.6	173.2	177.9	0	0	0	0	107.7	R140 T157 L184 F256	R140-V269 HydrophobicContact CB-CB 4.35Å; R140-V269 HydrophobicContact CB-CG1 4.24Å; R140-V269 HydrophobicContact CB-CG2 4.02Å; R140-V269 HydrophobicContact CG-CG1 4.18Å; T157-V269 PolarHBondContact N-O 3.29Å; T157-V269 WeakPolarHBondContact OG1-CB 3.44Å; T157-V269 WeakPolarHBondContact OG1-CG1 3.46Å; L184-V269 HydrophobicContact CD1-CB 4.16Å; L184-V269 HydrophobicContact CD1-CG2 3.81Å; F256-V269 HydrophobicContact CD1-CG2 3.51Å; F256-V269 HydrophobicContact CE1-CG2 3.72Å
270	V	98.9	Very high	98	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	108.1	-176.9	-171.9	0	0	0	0	108	R140 L141 G142 V154 L192 P297 L300 V301	R140-V270 PolarHBondContact O-N 3.42Å; L141-V270 WeakPolarHBondContact CA-O 3.38Å; G142-V270 PolarHBondContact N-O 2.85Å; V154-V270 HydrophobicContact CG1-CG1 3.57Å; L192-V270 HydrophobicContact CD1-CG2 3.78Å; V270-P297 HydrophobicContact CB-CB 4.42Å; V270-P297 HydrophobicContact CG1-CB 3.92Å; V270-L300 HydrophobicContact CG1-CD2 3.96Å; V270-V301 HydrophobicContact CB-CG2 4.38Å; V270-V301 HydrophobicContact CG2-CG2 3.99Å
271	C	98.9	Very high	98	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	140.5	-174.4	-70.8	0	0	0	0	111	G142 V154 V155	G142-C271 VanDerWaalsContact CA-SG 3.59Å; G142-C271 VanDerWaalsContact O-CA 3.31Å; G142-C271 WeakPolarHBondContact O-CA 3.35Å; V154-C271 CarbonylContact C-O 3.47Å; V154-C271 WeakPolarHBondContact CA-O 3.39Å; V155-C271 PolarHBondContact N-O 2.98Å; V155-C271 PolarHBondContact O-N 3.43Å
272	V	98.9	Very high	98.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	138.1	167.8	62.5	0	0	0	0	110.7	G142 T143 S144 G152 V154 L274 Y293 P297	G142-V272 PolarHBondContact O-N 3.39Å; G142-V272 VanDerWaalsContact O-N 3.07Å; T143-V272 CarbonylContact C-O 3.57Å; T143-V272 WeakPolarHBondContact CA-O 3.18Å; T143-V272 HydrophobicContact CG2-CG1 4.11Å; S144-V272 PolarHBondContact N-O 3.49Å; S144-V272 PolarHBondContact OG-O 2.6Å; S144-V272 VanDerWaalsContact OG-O 3.05Å; G152-V272 WeakPolarHBondContact O-CG2 3.46Å; V154-V272 HydrophobicContact CG2-CB 4.43Å; V154-V272 HydrophobicContact CG2-CG2 4.5Å; V272-L274 HydrophobicContact CG1-CD2 4Å; V272-Y293 WeakPolarHBondContact CB-O 3.37Å; V272-Y293 WeakPolarHBondContact CG1-O 3.38Å; V272-Y293 HydrophobicContact CG2-CG 4.39Å; V272-Y293 WeakPolarHBondContact CG2-O 3.41Å; V272-P297 HydrophobicContact CB-CG 3.95Å; V272-P297 HydrophobicContact CG1-CG 4.11Å
273	A	98.8	Very high	98	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	115.2	172.5	0	0	0	0	0	109.8	S144 P151 G152 T153 L275	S144-A273 CarbonylContact O-C 3.59Å; S144-A273 WeakPolarHBondContact O-CA 3.34Å; P151-A273 CarbonylContact C-O 3.52Å; G152-A273 PolarHBondContact N-O 2.82Å; T153-A273 PolarHBondContact O-N 2.85Å; A273-L275 VanDerWaalsContact C-N 3.34Å
274	L	98.7	Very high	98	Very high	15 Å²	15	37.9 Å²	37.9	8%	0.079	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-18.4	-177.7	-60.6	-175.5	0	0	0	113.5	T143 S144 V272 I283 L290 Y293	T143-L274 HydrophobicContact CG2-CD1 4.02Å; T143-L274 HydrophobicContact CG2-CD2 4.11Å; T143-L274 HydrophobicContact CG2-CG 4.25Å; S144-L274 PolarHBondContact O-N 3.12Å; V272-L274 HydrophobicContact CG1-CD2 4Å; L274-I283 HydrophobicContact CB-CD1 4.48Å; L274-I283 HydrophobicContact CD1-CD1 3.96Å; L274-L290 HydrophobicContact CB-CD2 4.46Å; L274-L290 HydrophobicContact CD2-CD2 4.2Å; L274-Y293 HydrophobicContact CD2-CD2 4.41Å
275	L	98.8	Very high	98	Very high	17 Å²	17	37 Å²	37	9%	0.089	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	166.4	-179.2	70.6	164.1	0	0	0	109.9	G146 A273 D281 I283	G146-L275 WeakPolarHBondContact CA-O 3.43Å; G146-L275 PolarHBondContact N-O 3.33Å; A273-L275 VanDerWaalsContact C-N 3.34Å; L275-D281 WeakPolarHBondContact CD1-O 3.32Å; L275-I283 HydrophobicContact CD2-CG1 4.14Å
276	N	98.8	Very high	98.1	Very high	22 Å²	22	39.4 Å²	39.4	12%	0.118	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	119.8	164.8	-175.1	11	0	0	0	109.8	G148 L149 F278 D279 G280	G148-N276 PolarHBondContact N-OD1 3.11Å; L149-N276 VanDerWaalsContact O-CB 3.27Å; L149-N276 WeakPolarHBondContact O-CB 3.41Å; N276-F278 PolarHBondContact O-N 3.36Å; N276-F278 PolarHBondContact OD1-N 2.87Å; N276-D279 HydrophobicContact CB-CB 4.38Å; N276-D279 VanDerWaalsContact CB-OD2 3.26Å; N276-D279 WeakPolarHBondContact CB-OD2 3.33Å; N276-D279 PolarHBondContact ND2-OD2 3.38Å; N276-D279 PolarHBondContact O-N 3.3Å; N276-G280 PolarHBondContact O-N 2.9Å
277	R	98.8	Very high	98	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-16.4	-175.6	-69.7	-63.4	-53.4	-59.5	-8.9	114.2	G146 Q219 G220 R221 L238 D279 G280 D281	G146-R277 WeakPolarHBondContact O-CB 3.3Å; G146-R277 WeakPolarHBondContact O-CG 3.28Å; G146-R277 PolarHBondContact O-N 2.7Å; Q219-R277 VanDerWaalsContact O-CZ 3.27Å; Q219-R277 PolarHBondContact O-NH1 3.18Å; Q219-R277 PolarHBondContact O-NH2 3.23Å; G220-R277 PolarHBondContact O-NH2 2.94Å; R221-R277 VanDerWaalsContact CG-NH2 3.33Å; L238-R277 HydrophobicContact CD1-CB 3.85Å; L238-R277 HydrophobicContact CD2-CB 4.41Å; R277-D279 VanDerWaalsContact C-N 3.31Å; R277-G280 WeakPolarHBondContact CA-O 3.49Å; R277-D281 IonicContact CZ-OD1 2.69Å; R277-D281 VanDerWaalsContact CZ-OD1 3.28Å; R277-D281 IonicContact NE-OD1 3.67Å; R277-D281 PolarHBondContact NE-OD1 3.49Å; R277-D281 IonicContact NH2-OD1 3.28Å; R277-D281 PolarHBondContact NH2-OD1 3.38Å
278	F	98.6	Very high	97.9	Very high	56 Å²	56	46.6 Å²	46.6	25%	0.246	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-28.4	169.1	-71.5	-60.6	0	0	0	112.8	V147 L235 L238 R239 N276	V147-F278 HydrophobicContact CG1-CE2 3.64Å; V147-F278 HydrophobicContact CG1-CZ 3.88Å; L235-F278 HydrophobicContact CD2-CD1 3.95Å; L238-F278 HydrophobicContact CB-CD1 4.23Å; L238-F278 HydrophobicContact CB-CE1 3.56Å; L238-F278 HydrophobicContact CB-CZ 4Å; L238-F278 HydrophobicContact CD1-CD1 4.47Å; R239-F278 HydrophobicContact CG-CE1 3.87Å; R239-F278 HydrophobicContact CG-CZ 4.19Å; N276-F278 PolarHBondContact O-N 3.36Å; N276-F278 PolarHBondContact OD1-N 2.87Å
279	D	98.3	Very high	97.8	Very high	133 Å²	133	49 Å²	49	71%	0.711	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-15.2	-173.8	-56.6	-29.2	0	0	0	112.4	N276 R277	N276-D279 HydrophobicContact CB-CB 4.38Å; N276-D279 VanDerWaalsContact CB-OD2 3.26Å; N276-D279 WeakPolarHBondContact CB-OD2 3.33Å; N276-D279 PolarHBondContact ND2-OD2 3.38Å; N276-D279 PolarHBondContact O-N 3.3Å; R277-D279 VanDerWaalsContact C-N 3.31Å
280	G	98	Very high	97.7	Very high	27 Å²	27	50.3 Å²	50.3	28%	0.278	28%	0.278	S	S	.	.			trans	166	-177.8	177.8	0	0	0	0	0	113.8	N276 R277	N276-G280 PolarHBondContact O-N 2.9Å; R277-G280 WeakPolarHBondContact CA-O 3.49Å
281	D	98.6	Very high	97.6	Very high	14 Å²	14	52.9 Å²	52.9	8%	0.075	29%	0.294	C	S	.	.	S	Bend	trans	-108	-44.1	175.7	-70.3	-41.7	0	0	0	111.3	R221 L222 D223 K234 L275 R277	R221-D281 HydrophobicContact CB-CB 4.35Å; R221-D281 HydrophobicContact CG-CB 4.48Å; R221-D281 PolarHBondContact NH1-O 3.46Å; R221-D281 PolarHBondContact NH2-O 3.35Å; L222-D281 PolarHBondContact N-OD2 3.45Å; D223-D281 WeakPolarHBondContact OD2-CB 3.35Å; K234-D281 WeakPolarHBondContact CE-OD1 3.49Å; K234-D281 IonicContact NZ-OD1 3.87Å; K234-D281 PolarHBondContact NZ-OD1 3.07Å; K234-D281 IonicContact NZ-OD2 2.76Å; K234-D281 PolarHBondContact NZ-OD2 3.5Å; L275-D281 WeakPolarHBondContact CD1-O 3.32Å; R277-D281 IonicContact CZ-OD1 2.69Å; R277-D281 VanDerWaalsContact CZ-OD1 3.28Å; R277-D281 IonicContact NE-OD1 3.67Å; R277-D281 PolarHBondContact NE-OD1 3.49Å; R277-D281 IonicContact NH2-OD1 3.28Å; R277-D281 PolarHBondContact NH2-OD1 3.38Å
282	Q	98.1	Very high	97.5	Very high	120 Å²	120	56.4 Å²	56.4	56%	0.561	31%	0.31	S	S	*	.	S	Bend	trans	-66.2	138	-175.2	-69.9	-74.6	-43.1	0	0	112.9	D223 T284	D223-Q282 PolarHBondContact OD2-NE2 3.27Å; Q282-T284 HydrophobicContact CB-CG2 4.12Å; Q282-T284 PolarHBondContact O-N 3.47Å
283	I	95	Very high	97.5	Very high	69 Å²	69	57.9 Å²	57.9	35%	0.354	32%	0.316	S	S	.	.			trans	-82	104.5	171.6	-59.7	169.7	0	0	0	107.6	L274 L275 L290	L274-I283 HydrophobicContact CB-CD1 4.48Å; L274-I283 HydrophobicContact CD1-CD1 3.96Å; L275-I283 HydrophobicContact CD2-CG1 4.14Å; I283-L290 HydrophobicContact CG2-CD1 3.66Å; I283-L290 HydrophobicContact CG2-CD2 3.6Å; I283-L290 HydrophobicContact CG2-CG 4.25Å
284	T	94.9	Very high	97.3	Very high	128 Å²	128	60.8 Å²	60.8	79%	0.785	33%	0.33	S	S	*	.			trans	-107.7	-6.2	-173.1	52.9	0	0	0	0	114.2	Q282	Q282-T284 HydrophobicContact CB-CG2 4.12Å; Q282-T284 PolarHBondContact O-N 3.47Å
285	S	96.6	Very high	97.2	Very high	40 Å²	40	64.8 Å²	64.8	28%	0.28	35%	0.348	S	S	.	.	S	Bend	trans	-62.3	148.4	175	-65.7	0	0	0	0	110.9
286	S	97.1	Very high	97.2	Very high	68 Å²	68	65.5 Å²	65.5	48%	0.476	35%	0.349	S	S	.	.			trans	-63.2	159.2	178.5	67.9	0	0	0	0	111.8	D288 V289 L290	S286-D288 VanDerWaalsContact C-N 3.31Å; S286-D288 PolarHBondContact O-N 3.01Å; S286-V289 PolarHBondContact O-N 3.18Å; S286-V289 WeakPolarHBondContact OG-CG2 3.28Å; S286-L290 WeakPolarHBondContact O-CG 3.23Å; S286-L290 PolarHBondContact O-N 3.06Å
287	H	95.6	Very high	97.2	Very high	140 Å²	140	64.5 Å²	64.5	65%	0.648	34%	0.344	S	S	*	.	H	α-helix	trans	-54.2	-47	179.1	-175.5	72.1	0	0	0	112.3	V289 L290 V291	H287-V289 VanDerWaalsContact C-N 3.32Å; H287-V289 PolarHBondContact O-N 2.69Å; H287-L290 PolarHBondContact O-N 3.4Å; H287-L290 VanDerWaalsContact O-N 3.13Å; H287-V291 WeakPolarHBondContact O-CG2 3.41Å; H287-V291 PolarHBondContact O-N 3.07Å
288	D	96.8	Very high	97.2	Very high	127 Å²	127	65.3 Å²	65.3	68%	0.679	35%	0.348	S	S	*	.	H	α-helix	trans	-62	-39.2	-178.3	-59.6	-22.7	0	0	0	112.4	S286 V291 E292	S286-D288 VanDerWaalsContact C-N 3.31Å; S286-D288 PolarHBondContact O-N 3.01Å; D288-V291 PolarHBondContact O-N 3.36Å; D288-E292 PolarHBondContact O-N 2.98Å
289	V	97.5	Very high	97.2	Very high	52 Å²	52	64.5 Å²	64.5	32%	0.315	35%	0.348	S	S	.	.	H	α-helix	trans	-66.2	-41.7	175.8	172.6	0	0	0	0	110.7	S286 H287 V291 E292 Y293	S286-V289 PolarHBondContact O-N 3.18Å; S286-V289 WeakPolarHBondContact OG-CG2 3.28Å; H287-V289 VanDerWaalsContact C-N 3.32Å; H287-V289 PolarHBondContact O-N 2.69Å; V289-V291 VanDerWaalsContact C-N 3.34Å; V289-V291 PolarHBondContact O-N 3.2Å; V289-E292 PolarHBondContact O-N 3.28Å; V289-Y293 HydrophobicContact CG1-CD1 4.29Å; V289-Y293 HydrophobicContact CG1-CD2 4.27Å; V289-Y293 HydrophobicContact CG1-CE1 3.78Å; V289-Y293 HydrophobicContact CG1-CE2 3.76Å; V289-Y293 VanDerWaalsContact CG1-CZ 3.49Å; V289-Y293 WeakPolarHBondContact O-CD1 3.37Å; V289-Y293 PolarHBondContact O-N 3.07Å
290	L	96.2	Very high	97.2	Very high	28 Å²	28	58.2 Å²	58.2	15%	0.147	31%	0.314	C	S	.	.	H	α-helix	trans	-66.8	-36.1	177.5	-66.8	174.5	0	0	0	112.4	L274 I283 S286 H287 Y293 Q294	L274-L290 HydrophobicContact CB-CD2 4.46Å; L274-L290 HydrophobicContact CD2-CD2 4.2Å; I283-L290 HydrophobicContact CG2-CD1 3.66Å; I283-L290 HydrophobicContact CG2-CD2 3.6Å; I283-L290 HydrophobicContact CG2-CG 4.25Å; S286-L290 WeakPolarHBondContact O-CG 3.23Å; S286-L290 PolarHBondContact O-N 3.06Å; H287-L290 PolarHBondContact O-N 3.4Å; H287-L290 VanDerWaalsContact O-N 3.13Å; L290-Y293 PolarHBondContact O-N 3Å; L290-Q294 WeakPolarHBondContact O-CB 3.38Å; L290-Q294 WeakPolarHBondContact O-CG 3.43Å; L290-Q294 PolarHBondContact O-N 3.41Å
291	V	95.8	Very high	97.2	Very high	55 Å²	55	56.9 Å²	56.9	33%	0.333	30%	0.301	S	S	.	.	H	α-helix	trans	-62	-46.6	173.8	169.3	0	0	0	0	110.1	H287 D288 V289 Q294 Q295	H287-V291 WeakPolarHBondContact O-CG2 3.41Å; H287-V291 PolarHBondContact O-N 3.07Å; D288-V291 PolarHBondContact O-N 3.36Å; V289-V291 VanDerWaalsContact C-N 3.34Å; V289-V291 PolarHBondContact O-N 3.2Å; V291-Q294 PolarHBondContact O-N 3.36Å; V291-Q295 WeakPolarHBondContact O-CG 3.41Å; V291-Q295 PolarHBondContact O-N 2.95Å
292	E	97.6	Very high	97.2	Very high	73 Å²	73	56.3 Å²	56.3	34%	0.341	30%	0.297	S	S	.	.	H	α-helix	trans	-61.3	-47.9	176.2	-172.5	-82.3	131.3	0	0	111.6	D288 V289 Q294 Q295 R296	D288-E292 PolarHBondContact O-N 2.98Å; V289-E292 PolarHBondContact O-N 3.28Å; E292-Q294 VanDerWaalsContact C-N 3.29Å; E292-Q294 PolarHBondContact O-N 3.47Å; E292-Q295 WeakPolarHBondContact O-CB 3.2Å; E292-Q295 PolarHBondContact O-N 3.34Å; E292-R296 PolarHBondContact O-N 2.94Å; E292-R296 WeakPolarHBondContact OE1-CG 3.2Å; E292-R296 IonicContact OE1-CZ 3.96Å; E292-R296 IonicContact OE1-NE 2.78Å; E292-R296 PolarHBondContact OE1-NE 3.48Å; E292-R296 IonicContact OE1-NH2 3.39Å; E292-R296 PolarHBondContact OE1-NH2 2.99Å; E292-R296 IonicContact OE2-CZ 2.67Å; E292-R296 IonicContact OE2-NE 3.3Å; E292-R296 PolarHBondContact OE2-NE 3.07Å; E292-R296 IonicContact OE2-NH2 3.8Å; E292-R296 PolarHBondContact OE2-NH2 3.31Å
293	Y	98.3	Very high	97.3	Very high	32 Å²	32	51.8 Å²	51.8	13%	0.125	28%	0.276	C	S	.	.	H	α-helix	trans	-55.7	-43.8	176.5	-73	-0.6	0	0	0	112.4	P151 G152 V272 L274 V289 L290 Q295 R296 P297	P151-Y293 HydrophobicContact CB-CE2 3.75Å; P151-Y293 PolarHBondContact O-OH 2.81Å; G152-Y293 VanDerWaalsContact N-CE2 3.34Å; V272-Y293 WeakPolarHBondContact CB-O 3.37Å; V272-Y293 WeakPolarHBondContact CG1-O 3.38Å; V272-Y293 HydrophobicContact CG2-CG 4.39Å; V272-Y293 WeakPolarHBondContact CG2-O 3.41Å; L274-Y293 HydrophobicContact CD2-CD2 4.41Å; V289-Y293 HydrophobicContact CG1-CD1 4.29Å; V289-Y293 HydrophobicContact CG1-CD2 4.27Å; V289-Y293 HydrophobicContact CG1-CE1 3.78Å; V289-Y293 HydrophobicContact CG1-CE2 3.76Å; V289-Y293 VanDerWaalsContact CG1-CZ 3.49Å; V289-Y293 WeakPolarHBondContact O-CD1 3.37Å; V289-Y293 PolarHBondContact O-N 3.07Å; L290-Y293 PolarHBondContact O-N 3Å; Y293-Q295 PolarHBondContact O-N 2.76Å; Y293-R296 VanDerWaalsContact CE1-NH2 3.34Å; Y293-R296 PolarHBondContact O-N 2.86Å; Y293-R296 VanDerWaalsContact O-N 3.16Å; Y293-P297 WeakPolarHBondContact O-CD 3.43Å
294	Q	95	Very high	97.4	Very high	61 Å²	61	48.5 Å²	48.5	29%	0.285	26%	0.26	S	S	.	.	H	α-helix	trans	-66.8	-18.2	179.9	-72.8	174.1	40.2	0	0	113.8	T143 L290 V291 E292 Q298	T143-Q294 HydrophobicContact CG2-CG 3.84Å; L290-Q294 WeakPolarHBondContact O-CB 3.38Å; L290-Q294 WeakPolarHBondContact O-CG 3.43Å; L290-Q294 PolarHBondContact O-N 3.41Å; V291-Q294 PolarHBondContact O-N 3.36Å; E292-Q294 VanDerWaalsContact C-N 3.29Å; E292-Q294 PolarHBondContact O-N 3.47Å; Q294-Q298 PolarHBondContact O-NE2 2.88Å
295	Q	97.3	Very high	97.6	Very high	99 Å²	99	42.4 Å²	42.4	46%	0.463	22%	0.222	S	C	.	.	H	α-helix	trans	-82.6	-25.4	174.6	-69.5	172.2	-8.6	0	0	112.5	V291 E292 Y293 Q298 V299	V291-Q295 WeakPolarHBondContact O-CG 3.41Å; V291-Q295 PolarHBondContact O-N 2.95Å; E292-Q295 WeakPolarHBondContact O-CB 3.2Å; E292-Q295 PolarHBondContact O-N 3.34Å; Y293-Q295 PolarHBondContact O-N 2.76Å; Q295-Q298 WeakPolarHBondContact O-CA 3.4Å; Q295-Q298 VanDerWaalsContact O-CB 3.29Å; Q295-Q298 WeakPolarHBondContact O-CB 3.32Å; Q295-Q298 PolarHBondContact O-N 2.82Å; Q295-V299 WeakPolarHBondContact O-CG2 3.43Å; Q295-V299 PolarHBondContact O-N 3.02Å
296	R	98.6	Very high	97.7	Very high	31 Å²	31	42.3 Å²	42.3	12%	0.117	22%	0.217	C	C	.	.	H	α-helix	trans	-55.5	-47	-174.8	-58.4	177.9	177.8	-162.6	-0.6	114.2	G152 V154 F202 E292 Y293 Q298 V299 L300	G152-R296 VanDerWaalsContact O-CD 3.25Å; G152-R296 WeakPolarHBondContact O-CD 3.47Å; G152-R296 PolarHBondContact O-NH1 3.45Å; V154-R296 HydrophobicContact CG2-CB 3.58Å; F202-R296 HydrophobicContact CB-CG 4.29Å; F202-R296 HydrophobicContact CD1-CB 3.83Å; F202-R296 HydrophobicContact CD1-CG 3.64Å; F202-R296 HydrophobicContact CD2-CB 4.13Å; F202-R296 HydrophobicContact CE1-CB 3.85Å; F202-R296 HydrophobicContact CE1-CG 4.08Å; F202-R296 HydrophobicContact CE2-CB 4.16Å; F202-R296 HydrophobicContact CG-CB 3.97Å; F202-R296 HydrophobicContact CG-CG 3.91Å; F202-R296 HydrophobicContact CZ-CB 4.03Å; F202-R296 WeakPolarHBondContact CZ-O 3.36Å; E292-R296 PolarHBondContact O-N 2.94Å; E292-R296 WeakPolarHBondContact OE1-CG 3.2Å; E292-R296 IonicContact OE1-CZ 3.96Å; E292-R296 IonicContact OE1-NE 2.78Å; E292-R296 PolarHBondContact OE1-NE 3.48Å; E292-R296 IonicContact OE1-NH2 3.39Å; E292-R296 PolarHBondContact OE1-NH2 2.99Å; E292-R296 IonicContact OE2-CZ 2.67Å; E292-R296 IonicContact OE2-NE 3.3Å; E292-R296 PolarHBondContact OE2-NE 3.07Å; E292-R296 IonicContact OE2-NH2 3.8Å; E292-R296 PolarHBondContact OE2-NH2 3.31Å; Y293-R296 VanDerWaalsContact CE1-NH2 3.34Å; Y293-R296 PolarHBondContact O-N 2.86Å; Y293-R296 VanDerWaalsContact O-N 3.16Å; R296-Q298 VanDerWaalsContact C-N 3.27Å; R296-Q298 PolarHBondContact O-N 3.15Å; R296-V299 PolarHBondContact O-N 2.67Å; R296-L300 PolarHBondContact O-N 2.99Å
297	P	98.7	Very high	97.7	Very high	2 Å²	2	41 Å²	41	1%	0.013	20%	0.202	C	C	.	.	H	α-helix	trans	-61.7	-35.5	175.1	-24.4	36.6	0	0	0	113.2	L141 V270 V272 Y293 V301	L141-P297 HydrophobicContact CD2-CB 4.39Å; V270-P297 HydrophobicContact CB-CB 4.42Å; V270-P297 HydrophobicContact CG1-CB 3.92Å; V272-P297 HydrophobicContact CB-CG 3.95Å; V272-P297 HydrophobicContact CG1-CG 4.11Å; Y293-P297 WeakPolarHBondContact O-CD 3.43Å; P297-V301 WeakPolarHBondContact O-CG2 3.48Å; P297-V301 PolarHBondContact O-N 3.42Å
298	Q	98.4	Very high	97.8	Very high	16 Å²	16	38.6 Å²	38.6	8%	0.075	19%	0.191	C	C	.	.	H	α-helix	trans	-68.5	-44.1	179.7	-64.1	175.4	58.5	0	0	111.4	F70 L141 Q294 Q295 R296 S302	F70-Q298 HydrophobicContact CB-CG 4.48Å; F70-Q298 HydrophobicContact CD2-CB 3.62Å; F70-Q298 HydrophobicContact CD2-CG 3.63Å; F70-Q298 HydrophobicContact CE2-CB 3.91Å; F70-Q298 HydrophobicContact CE2-CG 4.26Å; F70-Q298 HydrophobicContact CG-CG 4.33Å; L141-Q298 HydrophobicContact CD1-CG 4.04Å; Q294-Q298 PolarHBondContact O-NE2 2.88Å; Q295-Q298 WeakPolarHBondContact O-CA 3.4Å; Q295-Q298 VanDerWaalsContact O-CB 3.29Å; Q295-Q298 WeakPolarHBondContact O-CB 3.32Å; Q295-Q298 PolarHBondContact O-N 2.82Å; R296-Q298 VanDerWaalsContact C-N 3.27Å; R296-Q298 PolarHBondContact O-N 3.15Å; Q298-S302 WeakPolarHBondContact O-CB 3.49Å; Q298-S302 PolarHBondContact O-N 2.72Å
299	V	98.6	Very high	97.8	Very high	40 Å²	40	35.7 Å²	35.7	24%	0.242	18%	0.175	C	C	.	.	H	α-helix	trans	-61.3	-45.6	175.6	172.4	0	0	0	0	110.6	F73 L199 F202 Q295 R296 S302 H303	F73-V299 HydrophobicContact CZ-CG2 4.24Å; L199-V299 HydrophobicContact CD1-CG1 4.13Å; F202-V299 HydrophobicContact CE1-CB 4.26Å; F202-V299 HydrophobicContact CE1-CG1 4.16Å; F202-V299 HydrophobicContact CZ-CB 4.45Å; F202-V299 HydrophobicContact CZ-CG1 4.45Å; Q295-V299 WeakPolarHBondContact O-CG2 3.43Å; Q295-V299 PolarHBondContact O-N 3.02Å; R296-V299 PolarHBondContact O-N 2.67Å; V299-S302 PolarHBondContact O-N 3.09Å; V299-H303 PolarHBondContact O-N 3.18Å; V299-H303 VanDerWaalsContact O-N 3.07Å
300	L	98.8	Very high	97.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-50.5	179.4	179.7	55	0	0	0	112.1	V154 I156 L192 C195 L199 F202 T204 V270 R296 S302 H303 F304	V154-L300 HydrophobicContact CG1-CD2 4.13Å; I156-L300 HydrophobicContact CD1-CD2 4.24Å; I156-L300 HydrophobicContact CG1-CD2 4.35Å; L192-L300 HydrophobicContact CD2-CG 4.23Å; L192-L300 WeakPolarHBondContact O-CD1 3.38Å; C195-L300 HydrophobicContact CB-CD1 3.82Å; L199-L300 HydrophobicContact CD1-CD1 4.2Å; F202-L300 HydrophobicContact CE2-CB 4.22Å; F202-L300 HydrophobicContact CZ-CB 4.02Å; T204-L300 HydrophobicContact CG2-CD2 4.35Å; V270-L300 HydrophobicContact CG1-CD2 3.96Å; R296-L300 PolarHBondContact O-N 2.99Å; L300-S302 VanDerWaalsContact C-N 3.35Å; L300-H303 PolarHBondContact O-N 3.17Å; L300-F304 PolarHBondContact O-N 3.17Å; L300-F304 VanDerWaalsContact O-N 3.13Å
301	V	98.8	Very high	97.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-71.5	-31.2	-178	172.7	0	0	0	0	111.8	F139 L141 L192 V270 P297 F304 I305	F139-V301 HydrophobicContact CB-CG1 4.07Å; F139-V301 HydrophobicContact CB-CG2 4.48Å; F139-V301 HydrophobicContact CD1-CG1 4.08Å; F139-V301 HydrophobicContact CD1-CG2 4.06Å; F139-V301 HydrophobicContact CD2-CG1 3.85Å; F139-V301 HydrophobicContact CE2-CG1 4.31Å; F139-V301 HydrophobicContact CG-CG1 3.72Å; F139-V301 HydrophobicContact CG-CG2 4.34Å; L141-V301 HydrophobicContact CD2-CB 3.9Å; L141-V301 HydrophobicContact CD2-CG1 4.27Å; L141-V301 HydrophobicContact CD2-CG2 3.52Å; L192-V301 HydrophobicContact CD2-CG2 4.07Å; V270-V301 HydrophobicContact CB-CG2 4.38Å; V270-V301 HydrophobicContact CG2-CG2 3.99Å; P297-V301 WeakPolarHBondContact O-CG2 3.48Å; P297-V301 PolarHBondContact O-N 3.42Å; V301-F304 WeakPolarHBondContact O-CB 3.42Å; V301-F304 PolarHBondContact O-N 3.33Å; V301-I305 HydrophobicContact CG1-CD1 3.88Å; V301-I305 HydrophobicContact CG1-CG1 4.33Å; V301-I305 VanDerWaalsContact O-CG1 3.26Å; V301-I305 WeakPolarHBondContact O-CG1 3.46Å; V301-I305 PolarHBondContact O-N 3.4Å
302	S	98.6	Very high	97.3	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.007	21%	0.205	C	C	.	.	H	α-helix	trans	-59.9	-44.9	170.4	176.2	0	0	0	0	112	M74 E77 Q298 V299 L300 F304 I305 K306	M74-S302 WeakPolarHBondContact SD-CB 3.36Å; M74-S302 PolarHBondContact SD-OG 3.4Å; M74-S302 VanDerWaalsContact SD-OG 3.37Å; E77-S302 WeakPolarHBondContact CG-OG 3.44Å; Q298-S302 WeakPolarHBondContact O-CB 3.49Å; Q298-S302 PolarHBondContact O-N 2.72Å; V299-S302 PolarHBondContact O-N 3.09Å; L300-S302 VanDerWaalsContact C-N 3.35Å; S302-F304 PolarHBondContact O-N 3.36Å; S302-I305 PolarHBondContact O-N 3.21Å; S302-K306 WeakPolarHBondContact O-CB 3.3Å; S302-K306 VanDerWaalsContact O-CG 3.3Å; S302-K306 WeakPolarHBondContact O-CG 3.42Å; S302-K306 PolarHBondContact O-N 3.29Å
303	H	98.4	Very high	96	Very high	25 Å²	25	41.4 Å²	41.4	12%	0.116	24%	0.239	C	C	.	.	H	α-helix	trans	-61.8	-44.8	176.9	-171.8	75.7	0	0	0	112	E198 L199 V299 L300 I305 K306 K307	E198-H303 IonicContact OE2-CD2 3.62Å; E198-H303 IonicContact OE2-NE2 2.88Å; E198-H303 PolarHBondContact OE2-NE2 3.23Å; L199-H303 HydrophobicContact CD1-CB 3.87Å; L199-H303 HydrophobicContact CD2-CB 4.24Å; L199-H303 HydrophobicContact CG-CB 4.27Å; V299-H303 PolarHBondContact O-N 3.18Å; V299-H303 VanDerWaalsContact O-N 3.07Å; L300-H303 PolarHBondContact O-N 3.17Å; H303-I305 PolarHBondContact O-N 2.76Å; H303-K306 PolarHBondContact O-N 2.97Å; H303-K307 PolarHBondContact O-N 3.38Å
304	F	98.6	Very high	95.8	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-54.4	-50.2	172.8	178.8	-77.2	0	0	0	111.7	F57 F139 V188 E191 L192 L300 V301 S302 K306 K307 H308	F57-F304 HydrophobicContact CE1-CE1 4.21Å; F139-F304 HydrophobicContact CE1-CD1 4.37Å; F139-F304 HydrophobicContact CE1-CE1 4.38Å; F139-F304 HydrophobicContact CE2-CD1 4.33Å; F139-F304 HydrophobicContact CE2-CE1 4.28Å; F139-F304 AromaticContact CZ-CD1 3.64Å; F139-F304 HydrophobicContact CZ-CD1 3.64Å; F139-F304 AromaticContact CZ-CE1 3.5Å; F139-F304 HydrophobicContact CZ-CE1 3.5Å; F139-F304 VanDerWaalsContact CZ-CE1 3.5Å; F139-F304 HydrophobicContact CZ-CG 4.36Å; F139-F304 HydrophobicContact CZ-CZ 4.04Å; V188-F304 HydrophobicContact CG1-CE2 4.35Å; V188-F304 HydrophobicContact CG1-CZ 4.38Å; E191-F304 HydrophobicContact CB-CD2 4.47Å; E191-F304 HydrophobicContact CB-CE2 3.94Å; E191-F304 HydrophobicContact CG-CD2 3.93Å; E191-F304 HydrophobicContact CG-CE2 3.58Å; E191-F304 VanDerWaalsContact OE2-CE2 3.26Å; E191-F304 WeakPolarHBondContact OE2-CE2 3.15Å; L192-F304 HydrophobicContact CD2-CB 3.89Å; L192-F304 HydrophobicContact CD2-CD2 3.75Å; L192-F304 HydrophobicContact CD2-CG 3.98Å; L192-F304 HydrophobicContact CG-CD2 3.96Å; L192-F304 HydrophobicContact CG-CE2 4.39Å; L300-F304 PolarHBondContact O-N 3.17Å; L300-F304 VanDerWaalsContact O-N 3.13Å; V301-F304 WeakPolarHBondContact O-CB 3.42Å; V301-F304 PolarHBondContact O-N 3.33Å; S302-F304 PolarHBondContact O-N 3.36Å; F304-K306 PolarHBondContact O-N 2.9Å; F304-K307 WeakPolarHBondContact O-CB 3.45Å; F304-K307 PolarHBondContact O-N 3.03Å; F304-H308 AromaticContact CD1-CD2 3.92Å; F304-H308 AromaticContact CE1-CD2 3.46Å; F304-H308 VanDerWaalsContact CE1-CD2 3.46Å; F304-H308 WeakPolarHBondContact CE1-CD2 3.35Å; F304-H308 AromaticContact CE1-NE2 3.55Å; F304-H308 AromaticContact CE2-NE2 3.78Å; F304-H308 AromaticContact CZ-CD2 3.62Å; F304-H308 AromaticContact CZ-CE1 3.86Å; F304-H308 AromaticContact CZ-NE2 3.22Å; F304-H308 WeakPolarHBondContact CZ-NE2 3.45Å; F304-H308 PolarHBondContact O-CD2 3.09Å; F304-H308 PolarHBondContact O-N 3.2Å; F304-H308 VanDerWaalsContact O-N 3.09Å
305	I	98.6	Very high	95.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-46.5	-179.1	-71	168.4	0	0	0	110.7	F57 M74 L78 V105 V301 S302 H303 K307 H308 L309	F57-I305 HydrophobicContact CB-CD1 3.94Å; F57-I305 HydrophobicContact CB-CG1 4.09Å; F57-I305 HydrophobicContact CD1-CG1 4.04Å; F57-I305 HydrophobicContact CD2-CB 4.42Å; F57-I305 HydrophobicContact CD2-CG1 4.08Å; F57-I305 HydrophobicContact CD2-CG2 3.73Å; F57-I305 HydrophobicContact CE2-CG2 3.94Å; F57-I305 HydrophobicContact CG-CD1 4.19Å; F57-I305 HydrophobicContact CG-CG1 3.78Å; F57-I305 HydrophobicContact CG-CG2 4.31Å; M74-I305 HydrophobicContact CE-CB 4.15Å; M74-I305 HydrophobicContact CE-CD1 4.11Å; M74-I305 HydrophobicContact CE-CG2 3.82Å; L78-I305 HydrophobicContact CD2-CG2 4.41Å; V105-I305 HydrophobicContact CG1-CD1 4.39Å; V105-I305 HydrophobicContact CG2-CD1 4.27Å; V105-I305 HydrophobicContact CG2-CG2 3.95Å; V301-I305 HydrophobicContact CG1-CD1 3.88Å; V301-I305 HydrophobicContact CG1-CG1 4.33Å; V301-I305 VanDerWaalsContact O-CG1 3.26Å; V301-I305 WeakPolarHBondContact O-CG1 3.46Å; V301-I305 PolarHBondContact O-N 3.4Å; S302-I305 PolarHBondContact O-N 3.21Å; H303-I305 PolarHBondContact O-N 2.76Å; I305-K307 VanDerWaalsContact C-N 3.25Å; I305-K307 PolarHBondContact O-N 3.27Å; I305-H308 PolarHBondContact O-N 3.32Å; I305-L309 HydrophobicContact CG2-CD1 3.8Å; I305-L309 HydrophobicContact CG2-CG 4.38Å; I305-L309 WeakPolarHBondContact O-CG 3.36Å; I305-L309 PolarHBondContact O-N 3.12Å
306	K	98.3	Very high	95.8	Very high	38 Å²	38	37.6 Å²	37.6	17%	0.165	23%	0.23	C	C	.	.	H	α-helix	trans	-59.3	-38.1	178.6	-73.7	167.2	67.1	-179	0	111.8	E77 L78 S302 H303 F304 L309 G310 L311 V312	E77-K306 HydrophobicContact CB-CD 4.16Å; E77-K306 VanDerWaalsContact OE2-CD 3.26Å; E77-K306 WeakPolarHBondContact OE2-CD 3.43Å; E77-K306 WeakPolarHBondContact OE2-CE 3.49Å; E77-K306 IonicContact OE2-NZ 3.37Å; E77-K306 PolarHBondContact OE2-NZ 2.87Å; L78-K306 HydrophobicContact CD2-CG 4.24Å; S302-K306 WeakPolarHBondContact O-CB 3.3Å; S302-K306 VanDerWaalsContact O-CG 3.3Å; S302-K306 WeakPolarHBondContact O-CG 3.42Å; S302-K306 PolarHBondContact O-N 3.29Å; H303-K306 PolarHBondContact O-N 2.97Å; F304-K306 PolarHBondContact O-N 2.9Å; K306-L309 CarbonylContact O-C 3.56Å; K306-L309 PolarHBondContact O-N 3.03Å; K306-G310 PolarHBondContact O-N 3.2Å; K306-G310 VanDerWaalsContact O-N 3.15Å; K306-L311 HydrophobicContact CB-CB 4.14Å; K306-L311 HydrophobicContact CG-CB 4.48Å; K306-L311 HydrophobicContact CG-CD1 4.39Å; K306-L311 WeakPolarHBondContact O-CB 3.46Å; K306-L311 PolarHBondContact O-N 3.36Å; K306-V312 HydrophobicContact CB-CG1 4.27Å; K306-V312 HydrophobicContact CB-CG2 3.79Å
307	K	97.4	Very high	95.6	Very high	40 Å²	40	38 Å²	38	17%	0.174	24%	0.237	C	C	.	.	H	α-helix	trans	-65.8	-46.6	177.7	-165.6	173	-169.6	166.9	0	111.5	E198 H303 F304 I305 L309 G310 V312 A313	E198-K307 IonicContact OE1-NZ 2.73Å; E198-K307 PolarHBondContact OE1-NZ 3.34Å; E198-K307 IonicContact OE2-NZ 3.31Å; E198-K307 PolarHBondContact OE2-NZ 2.79Å; H303-K307 PolarHBondContact O-N 3.38Å; F304-K307 WeakPolarHBondContact O-CB 3.45Å; F304-K307 PolarHBondContact O-N 3.03Å; I305-K307 VanDerWaalsContact C-N 3.25Å; I305-K307 PolarHBondContact O-N 3.27Å; K307-L309 PolarHBondContact O-N 3.19Å; K307-G310 PolarHBondContact O-N 2.52Å; K307-V312 HydrophobicContact CB-CG2 3.91Å; K307-A313 WeakPolarHBondContact CE-OXT 3.47Å
308	H	97.4	Very high	95.5	Very high	90 Å²	90	40.3 Å²	40.3	42%	0.417	25%	0.251	S	S	.	.	H	α-helix	trans	-63.7	-25.5	175.3	-85.1	-107.7	0	0	0	113.6	F57 E191 F304 I305	F57-H308 HydrophobicContact CE1-CB 4.19Å; F57-H308 HydrophobicContact CZ-CB 3.58Å; E191-H308 IonicContact OE1-CD2 3.11Å; E191-H308 PolarHBondContact OE1-CD2 3.02Å; E191-H308 IonicContact OE1-CE1 3.29Å; E191-H308 IonicContact OE1-NE2 3.45Å; E191-H308 PolarHBondContact OE1-NE2 3.22Å; E191-H308 IonicContact OE2-CE1 2.72Å; E191-H308 IonicContact OE2-NE2 2.72Å; E191-H308 PolarHBondContact OE2-NE2 3.38Å; E191-H308 VanDerWaalsContact OE2-NE2 3.11Å; F304-H308 AromaticContact CD1-CD2 3.92Å; F304-H308 AromaticContact CE1-CD2 3.46Å; F304-H308 VanDerWaalsContact CE1-CD2 3.46Å; F304-H308 WeakPolarHBondContact CE1-CD2 3.35Å; F304-H308 AromaticContact CE1-NE2 3.55Å; F304-H308 AromaticContact CE2-NE2 3.78Å; F304-H308 AromaticContact CZ-CD2 3.62Å; F304-H308 AromaticContact CZ-CE1 3.86Å; F304-H308 AromaticContact CZ-NE2 3.22Å; F304-H308 WeakPolarHBondContact CZ-NE2 3.45Å; F304-H308 PolarHBondContact O-CD2 3.09Å; F304-H308 PolarHBondContact O-N 3.2Å; F304-H308 VanDerWaalsContact O-N 3.09Å; I305-H308 PolarHBondContact O-N 3.32Å
309	L	96.9	Very high	95.3	Very high	66 Å²	66	41.9 Å²	41.9	35%	0.346	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	0.8	174.2	-64.9	177.4	0	0	0	113.6	F57 L78 P104 I305 K306 K307 L311	F57-L309 HydrophobicContact CE2-CD1 4.46Å; F57-L309 HydrophobicContact CE2-CD2 4.02Å; F57-L309 HydrophobicContact CE2-CG 4.07Å; L78-L309 HydrophobicContact CD1-CD1 4.48Å; L78-L309 HydrophobicContact CD2-CD1 3.63Å; P104-L309 HydrophobicContact CG-CD1 3.95Å; P104-L309 HydrophobicContact CG-CD2 4.01Å; I305-L309 HydrophobicContact CG2-CD1 3.8Å; I305-L309 HydrophobicContact CG2-CG 4.38Å; I305-L309 WeakPolarHBondContact O-CG 3.36Å; I305-L309 PolarHBondContact O-N 3.12Å; K306-L309 CarbonylContact O-C 3.56Å; K306-L309 PolarHBondContact O-N 3.03Å; K307-L309 PolarHBondContact O-N 3.19Å; L309-L311 VanDerWaalsContact C-N 3.27Å; L309-L311 HydrophobicContact CB-CD1 4.2Å; L309-L311 HydrophobicContact CB-CG 4.07Å; L309-L311 HydrophobicContact CD1-CD1 4.49Å; L309-L311 PolarHBondContact O-N 2.68Å
310	G	96	Very high	95	Very high	65 Å²	65	42 Å²	42	67%	0.67	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	22.1	-179.3	0	0	0	0	0	114.3	K306 K307	K306-G310 PolarHBondContact O-N 3.2Å; K306-G310 VanDerWaalsContact O-N 3.15Å; K307-G310 PolarHBondContact O-N 2.52Å
311	L	92.9	Very high	94.7	Very high	92 Å²	92	45.2 Å²	45.2	48%	0.482	28%	0.284	S	S	.	.	S	Bend	trans	-88.2	-17.1	179.2	-61.4	177.7	0	0	0	112.9	L78 K306 L309	L78-L311 HydrophobicContact CD2-CD1 3.55Å; K306-L311 HydrophobicContact CB-CB 4.14Å; K306-L311 HydrophobicContact CG-CB 4.48Å; K306-L311 HydrophobicContact CG-CD1 4.39Å; K306-L311 WeakPolarHBondContact O-CB 3.46Å; K306-L311 PolarHBondContact O-N 3.36Å; L309-L311 VanDerWaalsContact C-N 3.27Å; L309-L311 HydrophobicContact CB-CD1 4.2Å; L309-L311 HydrophobicContact CB-CG 4.07Å; L309-L311 HydrophobicContact CD1-CD1 4.49Å; L309-L311 PolarHBondContact O-N 2.68Å
312	V	89.9	Confident	94.4	Very high	42 Å²	42	49 Å²	49	26%	0.255	31%	0.308	S	S	.	.			trans	-138.4	157.8	172.8	-63.6	0	0	0	0	109.3	K306 K307	K306-V312 HydrophobicContact CB-CG1 4.27Å; K306-V312 HydrophobicContact CB-CG2 3.79Å; K307-V312 HydrophobicContact CB-CG2 3.91Å
313	A	69.8	Low	94	Very high	128 Å²	128	53.4 Å²	53.4	100%	1.058	34%	0.335	S	S	*	.			trans	-75	0	-179.9	0	0	0	0	0	112.5	K307	K307-A313 WeakPolarHBondContact CE-OXT 3.47Å

Retrieved 313 of 313 residues in 605.6 ms (Link to these results)

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