A0A5K4EQJ9_SCHMA Loading...

Putative retinoblastoma binding protein

AlphaFold DB , UniProt , Accession A0A5K4EQJ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 552 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.6	Very low	56.6	Low	143 Å²	143	112.3 Å²	112.3	70%	0.704	58%	0.577	S	S	*	*				0	99.1	0	-179.8	-161.8	-72.5	0	0	106.6	L3 R316	M1-L3 PolarHBondContact O-N 3.19Å; M1-R316 PolarHBondContact SD-NH2 3.3Å
2	N	55.8	Low	58.8	Low	104 Å²	104	110.8 Å²	110.8	56%	0.556	57%	0.571	S	S	*	*			trans	-78.5	111.1	-161.6	-55.3	18.7	0	0	0	108.2	E4 L5	N2-E4 PolarHBondContact O-N 2.89Å; N2-L5 HydrophobicContact CB-CB 4.41Å; N2-L5 HydrophobicContact CB-CD1 3.98Å; N2-L5 HydrophobicContact CB-CG 3.94Å; N2-L5 PolarHBondContact O-N 3.45Å
3	L	60.1	Low	61.2	Low	44 Å²	44	105.2 Å²	105.2	23%	0.23	54%	0.538	C	S	.	.	G	3₁₀ helix	trans	-66.1	-28.6	178	-89.1	96	0	0	0	111.9	M1 L5 L6 L315 V396 A398	M1-L3 PolarHBondContact O-N 3.19Å; L3-L5 PolarHBondContact O-N 3.23Å; L3-L6 WeakPolarHBondContact O-CB 3.38Å; L3-L6 PolarHBondContact O-N 3.27Å; L3-L315 HydrophobicContact CD2-CB 4.33Å; L3-V396 HydrophobicContact CD1-CG1 3.56Å; L3-A398 HydrophobicContact CD1-CB 4.15Å; L3-A398 HydrophobicContact CD2-CB 3.52Å; L3-A398 HydrophobicContact CG-CB 4.36Å
4	E	54.1	Low	63.5	Low	151 Å²	151	97.7 Å²	97.7	71%	0.706	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-69.1	-19.4	179.5	-70.6	134.3	-157	0	0	113.4	N2 L6	N2-E4 PolarHBondContact O-N 2.89Å; E4-L6 VanDerWaalsContact C-N 3.29Å
5	L	56.7	Low	65.4	Low	140 Å²	140	94.7 Å²	94.7	73%	0.733	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-81.6	-4.5	170.2	-62.6	-179.2	0	0	0	113.2	N2 L3 E7	N2-L5 HydrophobicContact CB-CB 4.41Å; N2-L5 HydrophobicContact CB-CD1 3.98Å; N2-L5 HydrophobicContact CB-CG 3.94Å; N2-L5 PolarHBondContact O-N 3.45Å; L3-L5 PolarHBondContact O-N 3.23Å; L5-E7 PolarHBondContact O-N 3.18Å
6	L	55.7	Low	67.1	Low	85 Å²	85	91.1 Å²	91.1	45%	0.445	47%	0.472	S	S	.	.	S	Bend	trans	-87.4	89.4	165.7	-71.1	113	0	0	0	108.6	L3 E4	L3-L6 WeakPolarHBondContact O-CB 3.38Å; L3-L6 PolarHBondContact O-N 3.27Å; E4-L6 VanDerWaalsContact C-N 3.29Å
7	E	53.3	Low	68.7	Low	98 Å²	98	89.3 Å²	89.3	46%	0.458	47%	0.474	S	S	.	.			trans	-26.2	128.2	-171.6	-62.7	164.9	114.9	0	0	116.3	L5 F9 H10	L5-E7 PolarHBondContact O-N 3.18Å; E7-F9 PolarHBondContact O-N 3.22Å; E7-H10 PolarHBondContact O-N 3.49Å; E7-H10 VanDerWaalsContact O-N 3.11Å; E7-H10 IonicContact OE2-CE1 3.44Å; E7-H10 PolarHBondContact OE2-CE1 2.81Å; E7-H10 IonicContact OE2-ND1 2.9Å
8	A	51.8	Low	70	Confident	104 Å²	104	87.6 Å²	87.6	86%	0.86	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-5.4	-179.6	0	0	0	0	0	115.5
9	F	54	Low	71.1	Confident	199 Å²	199	84.8 Å²	84.8	87%	0.873	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-6.5	177.2	-63.8	-77.6	0	0	0	113.7	E7	E7-F9 PolarHBondContact O-N 3.22Å
10	H	63	Low	72.1	Confident	81 Å²	81	85.5 Å²	85.5	38%	0.375	46%	0.456	S	S	.	.	S	Bend	trans	-82.6	156.3	-176.4	-77.7	136.1	0	0	0	115	E7 Q336	E7-H10 PolarHBondContact O-N 3.49Å; E7-H10 VanDerWaalsContact O-N 3.11Å; E7-H10 IonicContact OE2-CE1 3.44Å; E7-H10 PolarHBondContact OE2-CE1 2.81Å; E7-H10 IonicContact OE2-ND1 2.9Å; H10-Q336 PolarHBondContact CD2-NE2 3.16Å; H10-Q336 VanDerWaalsContact CD2-NE2 3.26Å
11	Q	69	Low	72.8	Confident	86 Å²	86	81.6 Å²	81.6	40%	0.402	44%	0.435	S	S	.	.			trans	-83	124.1	-175.6	-67.2	179.1	-2.6	0	0	111.6	Y13 Q336	Q11-Y13 HydrophobicContact CB-CE1 4.27Å; Q11-Y13 PolarHBondContact O-N 2.82Å; Q11-Q336 PolarHBondContact O-OE1 2.99Å
12	N	83.1	Confident	74.3	Confident	95 Å²	95	80.2 Å²	80.2	51%	0.508	43%	0.427	S	S	.	.	S	Bend	trans	-75.1	17.8	-175	-68.8	-39.2	0	0	0	115.3	Y274	N12-Y274 HydrophobicContact CB-CE2 3.68Å
13	Y	90.8	Very high	75.6	Confident	38 Å²	38	76 Å²	76	15%	0.149	40%	0.403	C	S	.	.	S	Bend	trans	-141.6	150.2	177.8	62	-90.4	0	0	0	112.9	Q11 E15 Y274 V296 K297	Q11-Y13 HydrophobicContact CB-CE1 4.27Å; Q11-Y13 PolarHBondContact O-N 2.82Å; Y13-E15 WeakPolarHBondContact CE2-OE1 3.36Å; Y13-Y274 AromaticContact CD1-CE1 3.88Å; Y13-Y274 HydrophobicContact CD1-CE1 3.88Å; Y13-Y274 AromaticContact CD1-CZ 3.84Å; Y13-Y274 HydrophobicContact CG-CE1 4.49Å; Y13-V296 HydrophobicContact CD1-CG1 4.25Å; Y13-V296 HydrophobicContact CD2-CG1 4.32Å; Y13-V296 HydrophobicContact CE1-CG1 3.74Å; Y13-V296 HydrophobicContact CE2-CG1 3.8Å; Y13-V296 VanDerWaalsContact CZ-CG1 3.49Å; Y13-K297 HydrophobicContact CE2-CD 4.48Å
14	P	93.6	Very high	76.3	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	41%	0.409	C	S	.	.			trans	-70.2	139.5	177.2	24.7	-30.9	0	0	0	112.7	L287 L299 P317 I319 W334	P14-L287 HydrophobicContact CG-CD1 4.08Å; P14-L299 HydrophobicContact CB-CD1 4.45Å; P14-L299 HydrophobicContact CG-CD1 4.18Å; P14-P317 WeakPolarHBondContact CB-O 3.47Å; P14-I319 HydrophobicContact CG-CB 4.2Å; P14-I319 HydrophobicContact CG-CD1 3.63Å; P14-I319 HydrophobicContact CG-CG1 3.84Å; P14-W334 HydrophobicContact CB-CB 4.11Å
15	E	91.9	Very high	76.8	Confident	52 Å²	52	75.6 Å²	75.6	24%	0.243	40%	0.4	C	S	.	.			trans	-102.1	-40.7	-172.7	-84.9	-82	101.9	0	0	112.7	Y13 K297 L299 A335	Y13-E15 WeakPolarHBondContact CE2-OE1 3.36Å; E15-K297 VanDerWaalsContact O-CE 3.23Å; E15-K297 WeakPolarHBondContact O-CE 3.46Å; E15-K297 VanDerWaalsContact OE1-CE 3.31Å; E15-K297 WeakPolarHBondContact OE1-CE 3.49Å; E15-K297 IonicContact OE1-NZ 2.62Å; E15-K297 PolarHBondContact OE1-NZ 2.65Å; E15-K297 IonicContact OE2-NZ 2.85Å; E15-K297 PolarHBondContact OE2-NZ 3.14Å; E15-L299 WeakPolarHBondContact O-CD2 3.42Å; E15-A335 PolarHBondContact N-O 2.7Å
16	A	92.8	Very high	76.7	Confident	37 Å²	37	72.4 Å²	72.4	31%	0.306	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	172.7	-164.3	0	0	0	0	0	112.2	W334 A335	A16-W334 CarbonylContact O-C 3.59Å; A16-W334 VanDerWaalsContact O-CA 3.24Å; A16-W334 WeakPolarHBondContact O-CA 3.35Å; A16-A335 PolarHBondContact N-O 3.26Å; A16-A335 VanDerWaalsContact N-O 3.09Å; A16-A335 PolarHBondContact O-N 3.4Å
17	A	93.2	Very high	76.4	Confident	61 Å²	61	74.6 Å²	74.6	50%	0.504	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	127.1	171.2	0	0	0	0	0	110.2	W334	A17-W334 HydrophobicContact CB-CE3 3.91Å; A17-W334 HydrophobicContact CB-CH2 4.27Å; A17-W334 HydrophobicContact CB-CZ3 3.72Å
18	D	92.3	Very high	76.1	Confident	58 Å²	58	76.9 Å²	76.9	31%	0.31	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	42.2	-179.9	-179.3	35.4	0	0	0	110.3	R68 I333 A335	D18-R68 VanDerWaalsContact CG-NH1 3.34Å; D18-R68 PolarHBondContact O-NH1 3.48Å; D18-R68 IonicContact OD1-NH1 3.95Å; D18-R68 PolarHBondContact OD1-NH1 2.96Å; D18-R68 IonicContact OD1-NH2 2.76Å; D18-R68 IonicContact OD2-CZ 2.94Å; D18-R68 IonicContact OD2-NH1 2.94Å; D18-R68 PolarHBondContact OD2-NH1 2.92Å; D18-R68 IonicContact OD2-NH2 2.79Å; D18-R68 PolarHBondContact OD2-NH2 2.62Å; D18-I333 HydrophobicContact CB-CG2 4.17Å; D18-I333 PolarHBondContact N-O 2.89Å; D18-A335 HydrophobicContact CB-CB 3.72Å
19	G	91.1	Very high	75.8	Confident	36 Å²	36	75.7 Å²	75.7	37%	0.371	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	76.2	-153.5	-178.2	0	0	0	0	0	114.9	I333	G19-I333 PolarHBondContact O-N 3.11Å
20	Y	90.5	Very high	75.4	Confident	97 Å²	97	68.4 Å²	68.4	38%	0.38	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	150.4	-172.3	-54	-79	0	0	0	110.6	Q302 E329 V331 S332	Y20-Q302 PolarHBondContact OH-NE2 3.08Å; Y20-E329 HydrophobicContact CD1-CB 3.73Å; Y20-E329 WeakPolarHBondContact CD1-O 3.46Å; Y20-E329 HydrophobicContact CD2-CB 3.99Å; Y20-E329 HydrophobicContact CD2-CG 3.91Å; Y20-E329 HydrophobicContact CE1-CB 3.97Å; Y20-E329 HydrophobicContact CE2-CB 4.21Å; Y20-E329 HydrophobicContact CE2-CG 4.21Å; Y20-E329 HydrophobicContact CG-CB 3.74Å; Y20-E329 HydrophobicContact CG-CG 4.09Å; Y20-V331 WeakPolarHBondContact CA-O 3.19Å; Y20-S332 WeakPolarHBondContact CE1-OG 3.31Å
21	L	88.2	Confident	74.8	Confident	4 Å²	4	74.7 Å²	74.7	2%	0.021	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-74.6	124.1	175.3	-176	152.1	0	0	0	109.8	R23 L51 I53 W63 V331	L21-R23 HydrophobicContact CD2-CG 3.53Å; L21-R23 PolarHBondContact O-N 2.98Å; L21-L51 HydrophobicContact CD1-CD2 4.05Å; L21-I53 HydrophobicContact CD1-CD1 3.72Å; L21-I53 HydrophobicContact CD2-CD1 3.8Å; L21-I53 HydrophobicContact CG-CD1 4.45Å; L21-W63 HydrophobicContact CD1-CB 4Å; L21-W63 HydrophobicContact CD1-CD2 3.43Å; L21-W63 VanDerWaalsContact CD1-CD2 3.43Å; L21-W63 HydrophobicContact CD1-CE3 4.03Å; L21-W63 HydrophobicContact CD1-CG 3.44Å; L21-W63 VanDerWaalsContact CD1-CG 3.44Å; L21-W63 HydrophobicContact CD1-CZ2 4.12Å; L21-W63 HydrophobicContact CD2-CG 4.44Å; L21-W63 HydrophobicContact CG-CD2 4.15Å; L21-W63 HydrophobicContact CG-CG 3.97Å; L21-W63 HydrophobicContact CG-CZ2 4.4Å; L21-V331 HydrophobicContact CB-CB 4Å; L21-V331 HydrophobicContact CB-CG1 3.89Å; L21-V331 HydrophobicContact CD1-CG1 4Å; L21-V331 HydrophobicContact CG-CG1 4.44Å; L21-V331 PolarHBondContact N-O 2.94Å
22	E	78.7	Confident	73.7	Confident	115 Å²	115	76.2 Å²	76.2	54%	0.537	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-71.4	117.3	176.4	-179.1	159.3	-137.7	0	0	110.8	K25	E22-K25 WeakPolarHBondContact OE1-CE 3.46Å; E22-K25 IonicContact OE1-NZ 3.44Å; E22-K25 PolarHBondContact OE1-NZ 3.28Å
23	R	84	Confident	71.8	Confident	14 Å²	14	75 Å²	75	5%	0.053	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-102.7	153.1	-179.9	-64.6	-167.7	63.7	-120.5	-22.9	112.1	L21 K25 T37 C55 E61	L21-R23 HydrophobicContact CD2-CG 3.53Å; L21-R23 PolarHBondContact O-N 2.98Å; R23-K25 PolarHBondContact O-N 3.27Å; R23-K25 VanDerWaalsContact O-N 3.11Å; R23-T37 PolarHBondContact NH1-O 3.27Å; R23-C55 PolarHBondContact NH2-SG 2.9Å; R23-C55 VanDerWaalsContact NH2-SG 3.41Å; R23-E61 IonicContact CZ-OE1 3.95Å; R23-E61 IonicContact CZ-OE2 3.86Å; R23-E61 VanDerWaalsContact CZ-OE2 3.29Å; R23-E61 IonicContact NE-OE1 2.6Å; R23-E61 IonicContact NE-OE2 2.7Å; R23-E61 PolarHBondContact NE-OE2 2.87Å; R23-E61 IonicContact NH2-OE1 2.63Å; R23-E61 PolarHBondContact NH2-OE1 2.88Å; R23-E61 IonicContact NH2-OE2 2.71Å; R23-E61 PolarHBondContact NH2-OE2 2.96Å
24	I	73.9	Confident	69.5	Low	71 Å²	71	77 Å²	77	36%	0.364	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-56.7	118.7	-177.2	-73.4	163.8	0	0	0	110.6	K26 I70 V73	I24-K26 PolarHBondContact O-N 2.81Å; I24-I70 HydrophobicContact CD1-CD1 4.18Å; I24-I70 HydrophobicContact CD1-CG2 4.23Å; I24-I70 HydrophobicContact CG1-CD1 3.88Å; I24-V73 HydrophobicContact CD1-CG2 3.33Å
25	K	64.8	Low	67.6	Low	116 Å²	116	80.7 Å²	80.7	50%	0.504	48%	0.477	S	S	.	.			trans	-74.6	109.4	172.3	-61.3	164.3	-167.1	157.7	0	106.4	E22 R23 D27 K328	E22-K25 WeakPolarHBondContact OE1-CE 3.46Å; E22-K25 IonicContact OE1-NZ 3.44Å; E22-K25 PolarHBondContact OE1-NZ 3.28Å; R23-K25 PolarHBondContact O-N 3.27Å; R23-K25 VanDerWaalsContact O-N 3.11Å; K25-D27 PolarHBondContact O-N 3.27Å; K25-K328 HydrophobicContact CG-CD 4.15Å
26	K	55.6	Low	66.6	Low	74 Å²	74	80.7 Å²	80.7	32%	0.322	49%	0.485	S	S	.	.			trans	-67.9	127.4	169.4	-161.2	-173.1	-170.1	-169.9	0	107.7	I24 D28 D32 C35	I24-K26 PolarHBondContact O-N 2.81Å; K26-D28 PolarHBondContact O-N 3.46Å; K26-D32 PolarHBondContact NZ-O 3.41Å; K26-C35 PolarHBondContact NZ-O 3.17Å
27	D	49.5	Very low	66.1	Low	130 Å²	130	79.6 Å²	79.6	70%	0.695	48%	0.475	S	S	*	.			trans	-67.1	126.7	-177.2	-68.8	-49	0	0	0	112	K25 G29 S30	K25-D27 PolarHBondContact O-N 3.27Å; D27-G29 PolarHBondContact O-N 3.16Å; D27-S30 PolarHBondContact O-N 2.9Å; D27-S30 VanDerWaalsContact O-N 3.1Å; D27-S30 PolarHBondContact O-OG 2.88Å
28	D	46.3	Very low	65.8	Low	146 Å²	146	80.6 Å²	80.6	78%	0.781	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-8.9	-177.4	-61.8	-51.6	0	0	0	113.2	K26	K26-D28 PolarHBondContact O-N 3.46Å
29	G	45.6	Very low	65.9	Low	79 Å²	79	77.9 Å²	77.9	81%	0.814	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-10.2	174.4	0	0	0	0	0	115.3	D27	D27-G29 PolarHBondContact O-N 3.16Å
30	S	45.8	Very low	66	Low	47 Å²	47	77.5 Å²	77.5	33%	0.329	44%	0.441	S	S	.	.	S	Bend	trans	-74.7	140	176.7	63	0	0	0	0	111.5	D27 D32 A33	D27-S30 PolarHBondContact O-N 2.9Å; D27-S30 VanDerWaalsContact O-N 3.1Å; D27-S30 PolarHBondContact O-OG 2.88Å; S30-D32 PolarHBondContact O-N 2.93Å; S30-A33 WeakPolarHBondContact O-CB 3.5Å; S30-A33 PolarHBondContact O-N 2.93Å; S30-A33 VanDerWaalsContact O-N 3.12Å
31	K	49.9	Very low	66.3	Low	213 Å²	213	73.7 Å²	73.7	93%	0.926	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-15.8	-178.6	-75.1	-176.6	177.8	175.6	0	113.8	A33	K31-A33 VanDerWaalsContact C-N 3.28Å; K31-A33 PolarHBondContact O-N 2.94Å
32	D	46.8	Very low	66.8	Low	118 Å²	118	73.6 Å²	73.6	63%	0.631	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	31.3	173.9	-57.9	-56.3	0	0	0	113.3	K26 S30 G34 C35	K26-D32 PolarHBondContact NZ-O 3.41Å; S30-D32 PolarHBondContact O-N 2.93Å; D32-G34 PolarHBondContact O-N 2.76Å; D32-C35 PolarHBondContact O-N 2.88Å
33	A	41.8	Very low	67.7	Low	68 Å²	68	71 Å²	71	56%	0.562	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-2	173.9	0	0	0	0	0	114.7	S30 K31	S30-A33 WeakPolarHBondContact O-CB 3.5Å; S30-A33 PolarHBondContact O-N 2.93Å; S30-A33 VanDerWaalsContact O-N 3.12Å; K31-A33 VanDerWaalsContact C-N 3.28Å; K31-A33 PolarHBondContact O-N 2.94Å
34	G	43.4	Very low	68.3	Low	81 Å²	81	70.5 Å²	70.5	84%	0.835	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-9.8	176.7	0	0	0	0	0	115.7	D32	D32-G34 PolarHBondContact O-N 2.76Å
35	C	54.6	Low	69.3	Low	78 Å²	78	67.2 Å²	67.2	53%	0.527	40%	0.397	S	S	.	.			trans	-127.7	97.6	-178.7	-140.1	0	0	0	0	111.3	K26 D32	K26-C35 PolarHBondContact NZ-O 3.17Å; D32-C35 PolarHBondContact O-N 2.88Å
36	A	69.4	Low	70.5	Confident	51 Å²	51	63.5 Å²	63.5	42%	0.421	38%	0.38	S	S	.	.			trans	-73	151.9	168.9	0	0	0	0	0	111.1	Y38 N56	A36-Y38 HydrophobicContact CB-CE2 3.94Å; A36-Y38 VanDerWaalsContact O-CD2 3.25Å; A36-Y38 WeakPolarHBondContact O-CD2 3.44Å; A36-Y38 VanDerWaalsContact O-CE2 3.24Å; A36-Y38 WeakPolarHBondContact O-CE2 3.37Å; A36-N56 PolarHBondContact O-ND2 2.88Å
37	T	82	Confident	72.1	Confident	15 Å²	15	60.2 Å²	60.2	9%	0.092	37%	0.366	C	S	.	.			trans	-95.5	120.2	-177.4	-52.8	0	0	0	0	111.2	R23 C55 N56 D57 R59	R23-T37 PolarHBondContact NH1-O 3.27Å; T37-C55 HydrophobicContact CG2-CB 3.68Å; T37-N56 VanDerWaalsContact CA-OD1 3.29Å; T37-N56 WeakPolarHBondContact CA-OD1 3.37Å; T37-D57 WeakPolarHBondContact CB-OD2 3.33Å; T37-D57 WeakPolarHBondContact CG2-OD2 2.97Å; T37-D57 PolarHBondContact OG1-OD2 2.8Å; T37-R59 PolarHBondContact OG1-NH2 3.22Å
38	Y	88.1	Confident	74.2	Confident	81 Å²	81	54 Å²	54	32%	0.318	33%	0.333	S	S	.	.			trans	-109.7	137	179.8	-57.5	-88.9	0	0	0	110.6	A36 C55 N56 Q330	A36-Y38 HydrophobicContact CB-CE2 3.94Å; A36-Y38 VanDerWaalsContact O-CD2 3.25Å; A36-Y38 WeakPolarHBondContact O-CD2 3.44Å; A36-Y38 VanDerWaalsContact O-CE2 3.24Å; A36-Y38 WeakPolarHBondContact O-CE2 3.37Å; Y38-C55 WeakPolarHBondContact O-CA 3.18Å; Y38-N56 PolarHBondContact N-OD1 2.81Å; Y38-N56 PolarHBondContact O-N 2.95Å; Y38-N56 PolarHBondContact O-OD1 2.9Å; Y38-Q330 VanDerWaalsContact CA-OE1 3.29Å
39	A	93.4	Very high	76.4	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.008	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	143.9	169.9	0	0	0	0	0	110.3	I53 I322 V331	A39-I53 HydrophobicContact CB-CG2 3.63Å; A39-I322 HydrophobicContact CB-CD1 3.77Å; A39-I322 HydrophobicContact CB-CG1 4.19Å; A39-I322 HydrophobicContact CB-CG2 4.08Å; A39-V331 HydrophobicContact CB-CG2 3.78Å
40	I	94.4	Very high	78.8	Confident	28 Å²	28	43.8 Å²	43.8	14%	0.144	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	-44.5	-177.3	-67.2	-178.3	0	0	0	112	G54 N56 P80 V81 I322 L495	I40-G54 PolarHBondContact N-O 3.33Å; I40-N56 HydrophobicContact CD1-CB 3.81Å; I40-N56 HydrophobicContact CG1-CB 4.41Å; I40-P80 HydrophobicContact CD1-CB 3.75Å; I40-V81 WeakPolarHBondContact CG2-O 3.17Å; I40-I322 VanDerWaalsContact C-CD1 3.43Å; I40-L495 HydrophobicContact CD1-CD1 4.49Å; I40-L495 HydrophobicContact CG2-CD1 3.67Å; I40-L495 HydrophobicContact CG2-CD2 4.35Å
41	T	97	Very high	81.2	Confident	17 Å²	17	41.5 Å²	41.5	10%	0.104	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	151.8	-177.8	-175.8	0	0	0	0	112	I53 G54 L84 D309	T41-I53 WeakPolarHBondContact O-CA 3.47Å; T41-G54 PolarHBondContact O-N 3.01Å; T41-L84 HydrophobicContact CG2-CD1 4.2Å; T41-L84 HydrophobicContact CG2-CG 4.14Å; T41-D309 WeakPolarHBondContact CA-OD2 3.31Å; T41-D309 WeakPolarHBondContact CB-OD2 3.41Å; T41-D309 PolarHBondContact OG1-OD2 3.39Å
42	L	97.6	Very high	83.5	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	143.7	179.5	-62.3	179.5	0	0	0	110.9	L51 A52 I53 D309 V311 V320 I322 V331	L42-L51 HydrophobicContact CB-CD1 4.17Å; L42-L51 HydrophobicContact CD2-CD1 4.45Å; L42-L51 HydrophobicContact CD2-CD2 4.32Å; L42-L51 HydrophobicContact CD2-CG 4.49Å; L42-A52 WeakPolarHBondContact CA-O 3.34Å; L42-I53 HydrophobicContact CD2-CB 4.28Å; L42-I53 HydrophobicContact CD2-CD1 4.44Å; L42-I53 HydrophobicContact CD2-CG1 3.82Å; L42-I53 HydrophobicContact CD2-CG2 4.04Å; L42-D309 PolarHBondContact N-OD2 3.38Å; L42-V311 HydrophobicContact CB-CB 4.5Å; L42-V311 HydrophobicContact CB-CG1 3.99Å; L42-V311 HydrophobicContact CB-CG2 3.66Å; L42-V311 HydrophobicContact CD1-CG2 3.86Å; L42-V311 HydrophobicContact CG-CG2 4.41Å; L42-V311 WeakPolarHBondContact O-CG1 3.35Å; L42-V320 HydrophobicContact CD1-CB 4.05Å; L42-V320 HydrophobicContact CD1-CG1 3.78Å; L42-V320 WeakPolarHBondContact CD1-O 3.19Å; L42-I322 HydrophobicContact CD1-CD1 4.4Å; L42-I322 HydrophobicContact CD1-CG1 3.83Å; L42-I322 HydrophobicContact CD2-CD1 3.79Å; L42-I322 HydrophobicContact CD2-CG1 3.85Å; L42-I322 HydrophobicContact CG-CD1 3.63Å; L42-I322 HydrophobicContact CG-CG1 3.61Å; L42-V331 HydrophobicContact CD2-CG1 4.41Å
43	Q	98	Very high	85.9	Confident	61 Å²	61	25.8 Å²	25.8	29%	0.285	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	119.8	164.5	-173.6	62.5	35.5	0	0	111.6	A52 L84 W86	Q43-A52 PolarHBondContact N-O 2.88Å; Q43-A52 PolarHBondContact O-N 3.1Å; Q43-L84 HydrophobicContact CB-CB 3.85Å; Q43-W86 PolarHBondContact O-NE1 2.94Å
44	F	97	Very high	88.5	Confident	4 Å²	4	22.5 Å²	22.5	2%	0.018	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	148.1	168.3	-81.3	-68.7	0	0	0	111.5	G48 L50 L51 W86 V311 W312 H313 V320	F44-G48 VanDerWaalsContact CD1-O 3.24Å; F44-G48 WeakPolarHBondContact CD1-O 3.12Å; F44-G48 VanDerWaalsContact CE1-O 3.32Å; F44-G48 WeakPolarHBondContact CE1-O 3.38Å; F44-L50 WeakPolarHBondContact CA-O 3.24Å; F44-L51 HydrophobicContact CD1-CB 4.02Å; F44-L51 HydrophobicContact CD1-CD1 3.93Å; F44-L51 HydrophobicContact CD2-CD1 4.09Å; F44-L51 HydrophobicContact CE1-CB 3.95Å; F44-L51 HydrophobicContact CE1-CD1 4.06Å; F44-L51 HydrophobicContact CE1-CG 4.42Å; F44-L51 HydrophobicContact CE2-CD1 4.22Å; F44-L51 HydrophobicContact CG-CD1 3.94Å; F44-L51 HydrophobicContact CZ-CD1 4.21Å; F44-W86 VanDerWaalsContact O-CD1 3.26Å; F44-V311 HydrophobicContact CD2-CB 4.12Å; F44-V311 HydrophobicContact CD2-CG2 3.68Å; F44-V311 HydrophobicContact CE2-CB 4.46Å; F44-V311 HydrophobicContact CE2-CG2 3.72Å; F44-W312 WeakPolarHBondContact CD2-O 3.44Å; F44-H313 AromaticContact CE1-CD2 3.74Å; F44-H313 HydrophobicContact CE2-CB 3.97Å; F44-H313 HydrophobicContact CZ-CB 3.95Å; F44-H313 AromaticContact CZ-CD2 3.95Å; F44-V320 HydrophobicContact CE2-CG2 4.08Å; F44-V320 HydrophobicContact CZ-CG2 3.72Å
45	N	95	Very high	90.9	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	10%	0.104	C	C	.	.			trans	-68	-174.2	168.9	75.1	-19	0	0	0	111.8	V47 G48 S49 L50 W86 R218	N45-V47 PolarHBondContact O-N 3.46Å; N45-G48 VanDerWaalsContact OD1-CA 3.22Å; N45-G48 WeakPolarHBondContact OD1-CA 3.49Å; N45-G48 PolarHBondContact OD1-N 3.49Å; N45-S49 PolarHBondContact ND2-OG 2.82Å; N45-S49 PolarHBondContact OD1-N 3.37Å; N45-L50 HydrophobicContact CB-CB 4.2Å; N45-L50 PolarHBondContact N-O 2.9Å; N45-L50 PolarHBondContact OD1-N 2.84Å; N45-L50 PolarHBondContact OD1-O 3.45Å; N45-W86 HydrophobicContact CB-CD2 3.61Å; N45-W86 HydrophobicContact CB-CE3 3.88Å; N45-W86 HydrophobicContact CB-CG 3.95Å; N45-W86 HydrophobicContact CB-CH2 4.34Å; N45-W86 HydrophobicContact CB-CZ2 4.11Å; N45-W86 HydrophobicContact CB-CZ3 4.23Å; N45-R218 PolarHBondContact O-NH2 2.57Å
46	R	90.6	Very high	92.7	Very high	38 Å²	38	16.7 Å²	16.7	14%	0.143	9%	0.088	C	C	.	.	S	Bend	trans	-64.3	-40.9	-176	-176.4	177.8	174.6	-151.9	-6.3	111.9	R88 S90 R218 L399 I411	R46-R88 WeakPolarHBondContact CD-O 3.43Å; R46-S90 PolarHBondContact N-OG 3.08Å; R46-R218 PolarHBondContact O-NH1 3.12Å; R46-L399 PolarHBondContact NH2-O 3.47Å; R46-I411 HydrophobicContact CB-CD1 4.08Å; R46-I411 HydrophobicContact CG-CD1 4.34Å
47	V	88.6	Confident	93.7	Very high	5 Å²	5	16.6 Å²	16.6	3%	0.03	8%	0.08	C	C	.	.	S	Bend	trans	-91.5	-14.4	-177.6	-61.9	0	0	0	0	115	N45 S49 L315 L399 I411 M413	N45-V47 PolarHBondContact O-N 3.46Å; V47-S49 WeakPolarHBondContact CG2-OG 3.45Å; V47-L315 WeakPolarHBondContact O-CD1 3.35Å; V47-L315 WeakPolarHBondContact O-CG 3.34Å; V47-L399 HydrophobicContact CB-CD2 4.18Å; V47-L399 HydrophobicContact CG1-CD1 4.35Å; V47-L399 HydrophobicContact CG1-CD2 3.72Å; V47-I411 HydrophobicContact CG1-CD1 3.67Å; V47-I411 HydrophobicContact CG1-CG1 4.46Å; V47-M413 HydrophobicContact CB-CE 4.19Å; V47-M413 HydrophobicContact CB-SD 4.04Å; V47-M413 HydrophobicContact CG1-CE 4.09Å; V47-M413 HydrophobicContact CG1-SD 3.55Å; V47-M413 VanDerWaalsContact CG1-SD 3.55Å; V47-M413 HydrophobicContact CG2-CE 4.06Å; V47-M413 HydrophobicContact CG2-SD 3.69Å
48	G	92.6	Very high	94.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	90.4	-9.9	-178.5	0	0	0	0	0	115.8	F44 N45 L50 H313 P314	F44-G48 VanDerWaalsContact CD1-O 3.24Å; F44-G48 WeakPolarHBondContact CD1-O 3.12Å; F44-G48 VanDerWaalsContact CE1-O 3.32Å; F44-G48 WeakPolarHBondContact CE1-O 3.38Å; N45-G48 VanDerWaalsContact OD1-CA 3.22Å; N45-G48 WeakPolarHBondContact OD1-CA 3.49Å; N45-G48 PolarHBondContact OD1-N 3.49Å; G48-L50 VanDerWaalsContact C-N 3.25Å; G48-L50 PolarHBondContact O-N 3.04Å; G48-H313 VanDerWaalsContact C-NE2 3.3Å; G48-H313 VanDerWaalsContact CA-NE2 3.34Å; G48-H313 WeakPolarHBondContact CA-NE2 3.35Å; G48-H313 PolarHBondContact O-CD2 2.65Å; G48-H313 VanDerWaalsContact O-CD2 3.29Å; G48-H313 PolarHBondContact O-NE2 2.97Å; G48-P314 VanDerWaalsContact CA-CG 3.44Å
49	S	92.6	Very high	94.6	Very high	10 Å²	10	14.2 Å²	14.2	7%	0.07	7%	0.069	C	C	.	.	S	Bend	trans	-60.6	-30.3	177.1	59.7	0	0	0	0	114	N45 V47 H65 M413	N45-S49 PolarHBondContact ND2-OG 2.82Å; N45-S49 PolarHBondContact OD1-N 3.37Å; V47-S49 WeakPolarHBondContact CG2-OG 3.45Å; S49-H65 WeakPolarHBondContact O-CB 3.45Å; S49-H65 PolarHBondContact O-N 3.4Å; S49-M413 WeakPolarHBondContact CB-O 3.47Å; S49-M413 PolarHBondContact OG-O 2.81Å
50	L	95.4	Very high	94.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.3	179.8	-58	176.6	0	0	0	110.9	F44 N45 G48 I62 W63 D64 W86 L415	F44-L50 WeakPolarHBondContact CA-O 3.24Å; N45-L50 HydrophobicContact CB-CB 4.2Å; N45-L50 PolarHBondContact N-O 2.9Å; N45-L50 PolarHBondContact OD1-N 2.84Å; N45-L50 PolarHBondContact OD1-O 3.45Å; G48-L50 VanDerWaalsContact C-N 3.25Å; G48-L50 PolarHBondContact O-N 3.04Å; L50-I62 HydrophobicContact CB-CG2 4.37Å; L50-I62 HydrophobicContact CD2-CG2 4.43Å; L50-W63 WeakPolarHBondContact CA-O 3.19Å; L50-D64 HydrophobicContact CD2-CB 4.21Å; L50-W86 HydrophobicContact CB-CH2 3.72Å; L50-W86 HydrophobicContact CB-CZ2 3.92Å; L50-W86 HydrophobicContact CD1-CH2 3.88Å; L50-W86 HydrophobicContact CD1-CZ3 4.18Å; L50-W86 HydrophobicContact CG-CH2 4.47Å; L50-L415 HydrophobicContact CD1-CD1 4.01Å; L50-L415 HydrophobicContact CD1-CG 4.02Å; L50-L415 HydrophobicContact CD2-CD1 4.32Å; L50-L415 HydrophobicContact CD2-CG 4.47Å
51	L	97.1	Very high	94.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	118.5	175.4	179.7	64.9	0	0	0	109.4	L21 L42 F44 I53 I62 W63 V311 V320	L21-L51 HydrophobicContact CD1-CD2 4.05Å; L42-L51 HydrophobicContact CB-CD1 4.17Å; L42-L51 HydrophobicContact CD2-CD1 4.45Å; L42-L51 HydrophobicContact CD2-CD2 4.32Å; L42-L51 HydrophobicContact CD2-CG 4.49Å; F44-L51 HydrophobicContact CD1-CB 4.02Å; F44-L51 HydrophobicContact CD1-CD1 3.93Å; F44-L51 HydrophobicContact CD2-CD1 4.09Å; F44-L51 HydrophobicContact CE1-CB 3.95Å; F44-L51 HydrophobicContact CE1-CD1 4.06Å; F44-L51 HydrophobicContact CE1-CG 4.42Å; F44-L51 HydrophobicContact CE2-CD1 4.22Å; F44-L51 HydrophobicContact CG-CD1 3.94Å; F44-L51 HydrophobicContact CZ-CD1 4.21Å; L51-I53 HydrophobicContact CD2-CG1 4.43Å; L51-I53 HydrophobicContact CG-CG1 4.22Å; L51-I62 WeakPolarHBondContact O-CA 3.47Å; L51-W63 HydrophobicContact CB-CB 4.35Å; L51-W63 HydrophobicContact CB-CE3 3.81Å; L51-W63 HydrophobicContact CD2-CE3 4Å; L51-W63 HydrophobicContact CD2-CZ3 4.37Å; L51-W63 PolarHBondContact N-O 2.87Å; L51-W63 PolarHBondContact O-N 3.16Å; L51-V311 HydrophobicContact CD1-CG2 4.14Å; L51-V320 HydrophobicContact CD2-CB 4.28Å; L51-V320 HydrophobicContact CD2-CG1 3.88Å; L51-V320 HydrophobicContact CD2-CG2 4.3Å
52	A	97.7	Very high	94.6	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	134.2	170.8	0	0	0	0	0	110.3	L42 Q43 I60 L84 W86 L93	L42-A52 WeakPolarHBondContact CA-O 3.34Å; Q43-A52 PolarHBondContact N-O 2.88Å; Q43-A52 PolarHBondContact O-N 3.1Å; A52-I60 HydrophobicContact CB-CG2 4.11Å; A52-L84 HydrophobicContact CB-CD1 3.83Å; A52-W86 HydrophobicContact CB-CZ2 3.74Å; A52-L93 HydrophobicContact CB-CD1 3.95Å; A52-L93 HydrophobicContact CB-CD2 3.89Å
53	I	96.9	Very high	94.4	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	110.2	-177	-49.8	179.4	0	0	0	108.8	L21 A39 T41 L42 L51 I60 E61	L21-I53 HydrophobicContact CD1-CD1 3.72Å; L21-I53 HydrophobicContact CD2-CD1 3.8Å; L21-I53 HydrophobicContact CG-CD1 4.45Å; A39-I53 HydrophobicContact CB-CG2 3.63Å; T41-I53 WeakPolarHBondContact O-CA 3.47Å; L42-I53 HydrophobicContact CD2-CB 4.28Å; L42-I53 HydrophobicContact CD2-CD1 4.44Å; L42-I53 HydrophobicContact CD2-CG1 3.82Å; L42-I53 HydrophobicContact CD2-CG2 4.04Å; L51-I53 HydrophobicContact CD2-CG1 4.43Å; L51-I53 HydrophobicContact CG-CG1 4.22Å; I53-I60 WeakPolarHBondContact O-CA 3.21Å; I53-E61 HydrophobicContact CB-CB 4.25Å; I53-E61 PolarHBondContact N-O 2.78Å; I53-E61 PolarHBondContact O-N 3.21Å
54	G	96.5	Very high	94.1	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	128.5	178.1	0	0	0	0	0	111.1	I40 T41	I40-G54 PolarHBondContact N-O 3.33Å; T41-G54 PolarHBondContact O-N 3.01Å
55	C	94.7	Very high	93.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	159.5	-174.3	-68.9	0	0	0	0	114.1	R23 T37 Y38 D57 G58 R59 V81	R23-C55 PolarHBondContact NH2-SG 2.9Å; R23-C55 VanDerWaalsContact NH2-SG 3.41Å; T37-C55 HydrophobicContact CG2-CB 3.68Å; Y38-C55 WeakPolarHBondContact O-CA 3.18Å; C55-D57 VanDerWaalsContact CB-OD1 3.31Å; C55-D57 WeakPolarHBondContact CB-OD1 3.37Å; C55-D57 PolarHBondContact O-N 3.28Å; C55-G58 PolarHBondContact O-N 3.14Å; C55-R59 VanDerWaalsContact CB-O 3.32Å; C55-R59 WeakPolarHBondContact CB-O 3.34Å; C55-R59 PolarHBondContact N-O 3.41Å; C55-V81 PolarHBondContact O-N 2.8Å
56	N	92.5	Very high	93.3	Very high	36 Å²	36	15.1 Å²	15.1	19%	0.193	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-16.1	177.5	76.9	-53	0	0	0	114.8	A36 T37 Y38 I40 P80	A36-N56 PolarHBondContact O-ND2 2.88Å; T37-N56 VanDerWaalsContact CA-OD1 3.29Å; T37-N56 WeakPolarHBondContact CA-OD1 3.37Å; Y38-N56 PolarHBondContact N-OD1 2.81Å; Y38-N56 PolarHBondContact O-N 2.95Å; Y38-N56 PolarHBondContact O-OD1 2.9Å; I40-N56 HydrophobicContact CD1-CB 3.81Å; I40-N56 HydrophobicContact CG1-CB 4.41Å; N56-P80 WeakPolarHBondContact O-CD 3.28Å; N56-P80 WeakPolarHBondContact O-CG 3.36Å
57	D	90.9	Very high	93.1	Very high	49 Å²	49	16.7 Å²	16.7	26%	0.262	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	14.7	177	63.6	4.5	0	0	0	112.3	T37 C55 R59	T37-D57 WeakPolarHBondContact CB-OD2 3.33Å; T37-D57 WeakPolarHBondContact CG2-OD2 2.97Å; T37-D57 PolarHBondContact OG1-OD2 2.8Å; C55-D57 VanDerWaalsContact CB-OD1 3.31Å; C55-D57 WeakPolarHBondContact CB-OD1 3.37Å; C55-D57 PolarHBondContact O-N 3.28Å; D57-R59 PolarHBondContact O-N 3.24Å; D57-R59 WeakPolarHBondContact OD1-CB 3.39Å; D57-R59 PolarHBondContact OD1-N 2.85Å; D57-R59 IonicContact OD1-NE 3.28Å; D57-R59 PolarHBondContact OD1-NE 2.92Å; D57-R59 IonicContact OD2-CZ 2.58Å; D57-R59 VanDerWaalsContact OD2-CZ 3.29Å; D57-R59 IonicContact OD2-NE 3.87Å; D57-R59 PolarHBondContact OD2-NE 2.88Å; D57-R59 IonicContact OD2-NH2 3.89Å; D57-R59 PolarHBondContact OD2-NH2 2.89Å
58	G	93.3	Very high	93	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	75.7	-0.1	178.2	0	0	0	0	0	115.2	C55 A76 H77 H79	C55-G58 PolarHBondContact O-N 3.14Å; G58-A76 PolarHBondContact O-N 3.25Å; G58-H77 WeakPolarHBondContact CA-O 3.38Å; G58-H77 PolarHBondContact O-N 2.74Å; G58-H79 WeakPolarHBondContact CA-O 3.41Å
59	R	94.7	Very high	92.8	Very high	47 Å²	47	27.7 Å²	27.7	18%	0.177	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	158	171.7	-62	-173.1	-68.4	147.4	-0.4	111.8	T37 C55 D57 V73 L74	T37-R59 PolarHBondContact OG1-NH2 3.22Å; C55-R59 VanDerWaalsContact CB-O 3.32Å; C55-R59 WeakPolarHBondContact CB-O 3.34Å; C55-R59 PolarHBondContact N-O 3.41Å; D57-R59 PolarHBondContact O-N 3.24Å; D57-R59 WeakPolarHBondContact OD1-CB 3.39Å; D57-R59 PolarHBondContact OD1-N 2.85Å; D57-R59 IonicContact OD1-NE 3.28Å; D57-R59 PolarHBondContact OD1-NE 2.92Å; D57-R59 IonicContact OD2-CZ 2.58Å; D57-R59 VanDerWaalsContact OD2-CZ 3.29Å; D57-R59 IonicContact OD2-NE 3.87Å; D57-R59 PolarHBondContact OD2-NE 2.88Å; D57-R59 IonicContact OD2-NH2 3.89Å; D57-R59 PolarHBondContact OD2-NH2 2.89Å; R59-V73 HydrophobicContact CB-CG1 4.32Å; R59-L74 CarbonylContact C-O 3.54Å; R59-L74 VanDerWaalsContact CA-O 3.28Å; R59-L74 WeakPolarHBondContact CA-O 3.47Å
60	I	96.1	Very high	92.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	118.5	167	-53	169.9	0	0	0	107.4	A52 I53 I62 V73 L74 A76 V81 L84 L93	A52-I60 HydrophobicContact CB-CG2 4.11Å; I53-I60 WeakPolarHBondContact O-CA 3.21Å; I60-I62 HydrophobicContact CG2-CG1 4.38Å; I60-V73 WeakPolarHBondContact O-CA 3.32Å; I60-L74 HydrophobicContact CB-CB 4.23Å; I60-L74 HydrophobicContact CD1-CD1 4.43Å; I60-L74 PolarHBondContact N-O 2.81Å; I60-L74 PolarHBondContact O-N 2.9Å; I60-A76 HydrophobicContact CD1-CB 3.7Å; I60-A76 HydrophobicContact CG1-CB 3.93Å; I60-V81 HydrophobicContact CG1-CG2 4.15Å; I60-L84 HydrophobicContact CD1-CD2 3.86Å; I60-L84 HydrophobicContact CG1-CD2 4.34Å; I60-L84 HydrophobicContact CG2-CD1 4.49Å; I60-L84 HydrophobicContact CG2-CD2 4.48Å; I60-L93 HydrophobicContact CD1-CD2 3.89Å; I60-L93 HydrophobicContact CG2-CD2 3.82Å
61	E	94.5	Very high	92.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	129.5	170.4	-68.2	165.6	-177.3	0	0	108	R23 I53 I70	R23-E61 IonicContact CZ-OE1 3.95Å; R23-E61 IonicContact CZ-OE2 3.86Å; R23-E61 VanDerWaalsContact CZ-OE2 3.29Å; R23-E61 IonicContact NE-OE1 2.6Å; R23-E61 IonicContact NE-OE2 2.7Å; R23-E61 PolarHBondContact NE-OE2 2.87Å; R23-E61 IonicContact NH2-OE1 2.63Å; R23-E61 PolarHBondContact NH2-OE1 2.88Å; R23-E61 IonicContact NH2-OE2 2.71Å; R23-E61 PolarHBondContact NH2-OE2 2.96Å; I53-E61 HydrophobicContact CB-CB 4.25Å; I53-E61 PolarHBondContact N-O 2.78Å; I53-E61 PolarHBondContact O-N 3.21Å; E61-I70 HydrophobicContact CB-CD1 4.12Å; E61-I70 HydrophobicContact CB-CG1 4.47Å; E61-I70 HydrophobicContact CG-CD1 4.08Å
62	I	95.2	Very high	92.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	111.5	175.8	-57.3	-178.3	0	0	0	107.6	L50 L51 I60 I70 S71 K72 L74 W86 V107 L415	L50-I62 HydrophobicContact CB-CG2 4.37Å; L50-I62 HydrophobicContact CD2-CG2 4.43Å; L51-I62 WeakPolarHBondContact O-CA 3.47Å; I60-I62 HydrophobicContact CG2-CG1 4.38Å; I62-I70 CarbonylContact O-C 3.5Å; I62-S71 PolarHBondContact O-N 3.19Å; I62-K72 HydrophobicContact CB-CB 4.23Å; I62-K72 PolarHBondContact N-O 2.84Å; I62-K72 PolarHBondContact O-N 2.91Å; I62-K72 VanDerWaalsContact O-N 3.11Å; I62-L74 HydrophobicContact CD1-CD1 4.08Å; I62-L74 HydrophobicContact CD1-CG 4.18Å; I62-W86 HydrophobicContact CD1-CH2 4.44Å; I62-W86 HydrophobicContact CG2-CH2 4.03Å; I62-W86 HydrophobicContact CG2-CZ2 4.42Å; I62-V107 HydrophobicContact CD1-CG1 3.75Å; I62-L415 HydrophobicContact CG2-CD1 3.86Å
63	W	93.4	Very high	91.9	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	135.4	-177.5	179.7	84.2	0	0	0	110.8	L21 L50 L51 H65 R68 R69 I333	L21-W63 HydrophobicContact CD1-CB 4Å; L21-W63 HydrophobicContact CD1-CD2 3.43Å; L21-W63 VanDerWaalsContact CD1-CD2 3.43Å; L21-W63 HydrophobicContact CD1-CE3 4.03Å; L21-W63 HydrophobicContact CD1-CG 3.44Å; L21-W63 VanDerWaalsContact CD1-CG 3.44Å; L21-W63 HydrophobicContact CD1-CZ2 4.12Å; L21-W63 HydrophobicContact CD2-CG 4.44Å; L21-W63 HydrophobicContact CG-CD2 4.15Å; L21-W63 HydrophobicContact CG-CG 3.97Å; L21-W63 HydrophobicContact CG-CZ2 4.4Å; L50-W63 WeakPolarHBondContact CA-O 3.19Å; L51-W63 HydrophobicContact CB-CB 4.35Å; L51-W63 HydrophobicContact CB-CE3 3.81Å; L51-W63 HydrophobicContact CD2-CE3 4Å; L51-W63 HydrophobicContact CD2-CZ3 4.37Å; L51-W63 PolarHBondContact N-O 2.87Å; L51-W63 PolarHBondContact O-N 3.16Å; W63-H65 HydrophobicContact CE3-CB 4.32Å; W63-H65 HydrophobicContact CH2-CB 4.44Å; W63-H65 AromaticContact CH2-ND1 3.56Å; W63-H65 HydrophobicContact CZ3-CB 3.83Å; W63-H65 AromaticContact CZ3-CG 4Å; W63-H65 AromaticContact CZ3-ND1 3.63Å; W63-R68 HydrophobicContact CZ2-CB 3.84Å; W63-R68 HydrophobicContact CZ2-CG 3.94Å; W63-R68 PolarHBondContact NE1-O 3.13Å; W63-R69 WeakPolarHBondContact CA-O 3.22Å; W63-R69 VanDerWaalsContact CD1-O 3.26Å; W63-I333 HydrophobicContact CH2-CD1 3.83Å; W63-I333 HydrophobicContact CZ2-CD1 3.75Å
64	D	91.8	Very high	91.7	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.037	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	128.4	173.1	172.2	-83.6	0	0	0	109.8	L50 V66 T67 R68 R69	L50-D64 HydrophobicContact CD2-CB 4.21Å; D64-V66 PolarHBondContact OD1-N 2.7Å; D64-V66 VanDerWaalsContact OD1-N 3.1Å; D64-T67 WeakPolarHBondContact CB-OG1 3.09Å; D64-T67 WeakPolarHBondContact OD1-CB 3.46Å; D64-T67 WeakPolarHBondContact OD1-CG2 3.38Å; D64-T67 PolarHBondContact OD1-N 2.9Å; D64-T67 PolarHBondContact OD1-OG1 3.09Å; D64-R68 WeakPolarHBondContact O-CA 3.3Å; D64-R68 PolarHBondContact O-N 2.61Å; D64-R68 VanDerWaalsContact O-N 3.08Å; D64-R69 PolarHBondContact N-O 2.91Å
65	H	88.5	Confident	91.5	Very high	28 Å²	28	40 Å²	40	13%	0.13	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-33.1	-171.1	-178.3	23.2	0	0	0	113.2	S49 W63 H313	S49-H65 WeakPolarHBondContact O-CB 3.45Å; S49-H65 PolarHBondContact O-N 3.4Å; W63-H65 HydrophobicContact CE3-CB 4.32Å; W63-H65 HydrophobicContact CH2-CB 4.44Å; W63-H65 AromaticContact CH2-ND1 3.56Å; W63-H65 HydrophobicContact CZ3-CB 3.83Å; W63-H65 AromaticContact CZ3-CG 4Å; W63-H65 AromaticContact CZ3-ND1 3.63Å; H65-H313 AromaticContact CD2-CD2 3.38Å; H65-H313 PolarHBondContact CD2-CD2 3.28Å; H65-H313 AromaticContact CD2-NE2 3.27Å; H65-H313 PolarHBondContact CD2-NE2 3.46Å; H65-H313 VanDerWaalsContact CD2-NE2 3.27Å; H65-H313 AromaticContact NE2-CD2 3.66Å; H65-H313 AromaticContact NE2-NE2 3.79Å
66	V	85.7	Confident	91.5	Very high	96 Å²	96	40.7 Å²	40.7	58%	0.582	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-48.3	-174.2	-178	0	0	0	0	110.4	D64 R68 Y414	D64-V66 PolarHBondContact OD1-N 2.7Å; D64-V66 VanDerWaalsContact OD1-N 3.1Å; V66-R68 VanDerWaalsContact C-N 3.28Å; V66-R68 PolarHBondContact O-N 3.16Å; V66-Y414 HydrophobicContact CG2-CE1 4.15Å
67	T	87.1	Confident	91.6	Very high	72 Å²	72	39.8 Å²	39.8	44%	0.442	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-15.1	177.5	60.2	0	0	0	0	113.4	D64 R69	D64-T67 WeakPolarHBondContact CB-OG1 3.09Å; D64-T67 WeakPolarHBondContact OD1-CB 3.46Å; D64-T67 WeakPolarHBondContact OD1-CG2 3.38Å; D64-T67 PolarHBondContact OD1-N 2.9Å; D64-T67 PolarHBondContact OD1-OG1 3.09Å; T67-R69 PolarHBondContact O-N 2.65Å; T67-R69 PolarHBondContact OG1-N 3.37Å
68	R	86.9	Confident	91.7	Very high	107 Å²	107	41.9 Å²	41.9	40%	0.404	23%	0.226	S	C	.	.			trans	53.2	25.3	-170.6	-58.2	-170.6	-178.2	-147	-2.1	114.3	D18 W63 D64 V66	D18-R68 VanDerWaalsContact CG-NH1 3.34Å; D18-R68 PolarHBondContact O-NH1 3.48Å; D18-R68 IonicContact OD1-NH1 3.95Å; D18-R68 PolarHBondContact OD1-NH1 2.96Å; D18-R68 IonicContact OD1-NH2 2.76Å; D18-R68 IonicContact OD2-CZ 2.94Å; D18-R68 IonicContact OD2-NH1 2.94Å; D18-R68 PolarHBondContact OD2-NH1 2.92Å; D18-R68 IonicContact OD2-NH2 2.79Å; D18-R68 PolarHBondContact OD2-NH2 2.62Å; W63-R68 HydrophobicContact CZ2-CB 3.84Å; W63-R68 HydrophobicContact CZ2-CG 3.94Å; W63-R68 PolarHBondContact NE1-O 3.13Å; D64-R68 WeakPolarHBondContact O-CA 3.3Å; D64-R68 PolarHBondContact O-N 2.61Å; D64-R68 VanDerWaalsContact O-N 3.08Å; V66-R68 VanDerWaalsContact C-N 3.28Å; V66-R68 PolarHBondContact O-N 3.16Å
69	R	87.2	Confident	91.7	Very high	128 Å²	128	46 Å²	46	48%	0.483	25%	0.245	S	C	.	.	S	Bend	trans	-115.6	158.5	179.3	-73.9	-174.3	172.3	-145.7	6.6	112.9	W63 D64 T67 S71 E420	W63-R69 WeakPolarHBondContact CA-O 3.22Å; W63-R69 VanDerWaalsContact CD1-O 3.26Å; D64-R69 PolarHBondContact N-O 2.91Å; T67-R69 PolarHBondContact O-N 2.65Å; T67-R69 PolarHBondContact OG1-N 3.37Å; R69-S71 PolarHBondContact O-N 2.92Å; R69-E420 IonicContact CZ-OE2 3.45Å; R69-E420 IonicContact NH1-OE1 2.81Å; R69-E420 IonicContact NH1-OE2 3.2Å; R69-E420 PolarHBondContact NH1-OE2 3.26Å
70	I	89.6	Confident	91.8	Very high	37 Å²	37	45.1 Å²	45.1	19%	0.19	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	111.2	168.5	-69	169	0	0	0	108	I24 E61 I62 K72 V73	I24-I70 HydrophobicContact CD1-CD1 4.18Å; I24-I70 HydrophobicContact CD1-CG2 4.23Å; I24-I70 HydrophobicContact CG1-CD1 3.88Å; E61-I70 HydrophobicContact CB-CD1 4.12Å; E61-I70 HydrophobicContact CB-CG1 4.47Å; E61-I70 HydrophobicContact CG-CD1 4.08Å; I62-I70 CarbonylContact O-C 3.5Å; I70-K72 WeakPolarHBondContact CG2-O 3.4Å; I70-V73 HydrophobicContact CG2-CG2 3.99Å
71	S	90.4	Very high	91.9	Very high	19 Å²	19	45.1 Å²	45.1	13%	0.133	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-30.3	179.1	177.6	0	0	0	0	111.8	I62 R69 L415 I417	I62-S71 PolarHBondContact O-N 3.19Å; R69-S71 PolarHBondContact O-N 2.92Å; S71-L415 WeakPolarHBondContact OG-CB 3.48Å; S71-I417 WeakPolarHBondContact OG-CG1 2.98Å
72	K	91.1	Very high	92	Very high	51 Å²	51	45.9 Å²	45.9	22%	0.222	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	160	178.1	-128.5	-179.4	-168.5	-162.7	0	113.8	I62 I70 V107 L108 S110 L415	I62-K72 HydrophobicContact CB-CB 4.23Å; I62-K72 PolarHBondContact N-O 2.84Å; I62-K72 PolarHBondContact O-N 2.91Å; I62-K72 VanDerWaalsContact O-N 3.11Å; I70-K72 WeakPolarHBondContact CG2-O 3.4Å; K72-V107 WeakPolarHBondContact CD-O 3.48Å; K72-V107 PolarHBondContact NZ-O 2.99Å; K72-L108 VanDerWaalsContact NZ-C 3.33Å; K72-L108 PolarHBondContact NZ-O 3.13Å; K72-S110 WeakPolarHBondContact CE-OG 3.32Å; K72-S110 PolarHBondContact NZ-OG 3.4Å; K72-L415 HydrophobicContact CB-CD1 4.28Å
73	V	92.2	Very high	92.1	Very high	49 Å²	49	46.6 Å²	46.6	30%	0.297	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132.6	170.4	-173.1	0	0	0	0	109.1	I24 R59 I60 I70	I24-V73 HydrophobicContact CD1-CG2 3.33Å; R59-V73 HydrophobicContact CB-CG1 4.32Å; I60-V73 WeakPolarHBondContact O-CA 3.32Å; I70-V73 HydrophobicContact CG2-CG2 3.99Å
74	L	93.4	Very high	92.4	Very high	3 Å²	3	47 Å²	47	2%	0.016	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.8	168.9	-51.1	-179.6	0	0	0	108.6	R59 I60 I62 A76 L93 W105 S110	R59-L74 CarbonylContact C-O 3.54Å; R59-L74 VanDerWaalsContact CA-O 3.28Å; R59-L74 WeakPolarHBondContact CA-O 3.47Å; I60-L74 HydrophobicContact CB-CB 4.23Å; I60-L74 HydrophobicContact CD1-CD1 4.43Å; I60-L74 PolarHBondContact N-O 2.81Å; I60-L74 PolarHBondContact O-N 2.9Å; I62-L74 HydrophobicContact CD1-CD1 4.08Å; I62-L74 HydrophobicContact CD1-CG 4.18Å; L74-A76 VanDerWaalsContact C-N 3.26Å; L74-A76 HydrophobicContact CB-CB 4.44Å; L74-A76 PolarHBondContact O-N 3.1Å; L74-A76 VanDerWaalsContact O-N 3.13Å; L74-L93 HydrophobicContact CD1-CD2 4.27Å; L74-W105 HydrophobicContact CD1-CB 3.84Å; L74-W105 HydrophobicContact CD1-CD2 4.5Å; L74-W105 HydrophobicContact CD1-CG 4.12Å; L74-S110 VanDerWaalsContact CD2-OG 3.24Å; L74-S110 WeakPolarHBondContact CD2-OG 3.36Å
75	V	93.3	Very high	92.7	Very high	110 Å²	110	47.2 Å²	47.2	67%	0.667	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	80.8	166.1	-176.8	0	0	0	0	106.5
76	A	93.3	Very high	93.1	Very high	14 Å²	14	46.8 Å²	46.8	12%	0.116	26%	0.257	C	S	.	.			trans	-84.5	-50.4	-165.2	0	0	0	0	0	112.7	G58 I60 L74 W105	G58-A76 PolarHBondContact O-N 3.25Å; I60-A76 HydrophobicContact CD1-CB 3.7Å; I60-A76 HydrophobicContact CG1-CB 3.93Å; L74-A76 VanDerWaalsContact C-N 3.26Å; L74-A76 HydrophobicContact CB-CB 4.44Å; L74-A76 PolarHBondContact O-N 3.1Å; L74-A76 VanDerWaalsContact O-N 3.13Å; A76-W105 VanDerWaalsContact CA-CH2 3.44Å; A76-W105 VanDerWaalsContact CA-CZ2 3.41Å; A76-W105 HydrophobicContact CB-CD2 4.28Å; A76-W105 HydrophobicContact CB-CH2 4.12Å; A76-W105 HydrophobicContact CB-CZ2 3.64Å; A76-W105 WeakPolarHBondContact O-CH2 3.42Å; A76-W105 WeakPolarHBondContact O-CZ2 3.22Å
77	H	94.4	Very high	93.5	Very high	18 Å²	18	42.4 Å²	42.4	8%	0.083	23%	0.231	C	C	.	.			trans	-131.6	162.4	-169.8	-66.9	-71.2	0	0	0	111.7	G58 H79 S95 S97 T101	G58-H77 WeakPolarHBondContact CA-O 3.38Å; G58-H77 PolarHBondContact O-N 2.74Å; H77-H79 WeakPolarHBondContact CB-O 3.46Å; H77-S95 PolarHBondContact NE2-OG 3.44Å; H77-S97 VanDerWaalsContact CG-CB 3.45Å; H77-S97 WeakPolarHBondContact ND1-CB 3.46Å; H77-T101 PolarHBondContact CE1-OG1 3.37Å; H77-T101 VanDerWaalsContact CE1-OG1 3.26Å; H77-T101 PolarHBondContact ND1-OG1 3.37Å; H77-T101 VanDerWaalsContact ND1-OG1 3.13Å
78	A	93	Very high	93.8	Very high	92 Å²	92	42 Å²	42	76%	0.76	22%	0.221	S	C	*	.	S	Bend	trans	-87.8	-14.7	170.9	0	0	0	0	0	112.6
79	H	94.5	Very high	94	Very high	86 Å²	86	38.8 Å²	38.8	40%	0.398	21%	0.212	S	C	.	.	S	Bend	trans	-122.5	161.9	-177.3	-80	-123.2	0	0	0	111.3	G58 H77 V81 S97 D99	G58-H79 WeakPolarHBondContact CA-O 3.41Å; H77-H79 WeakPolarHBondContact CB-O 3.46Å; H79-V81 PolarHBondContact O-N 2.98Å; H79-S97 WeakPolarHBondContact CB-OG 3.45Å; H79-S97 PolarHBondContact O-OG 3.03Å; H79-D99 HydrophobicContact CB-CB 3.97Å; H79-D99 WeakPolarHBondContact CB-OD2 3.22Å; H79-D99 IonicContact CG-OD2 2.8Å
80	P	95.8	Very high	94.3	Very high	30 Å²	30	32.7 Å²	32.7	20%	0.195	19%	0.189	C	C	.	.			trans	-45.1	131.1	177.2	-29	27.6	0	0	0	114.5	I40 N56 S97 T98	I40-P80 HydrophobicContact CD1-CB 3.75Å; N56-P80 WeakPolarHBondContact O-CD 3.28Å; N56-P80 WeakPolarHBondContact O-CG 3.36Å; P80-S97 WeakPolarHBondContact O-CA 3.32Å; P80-T98 HydrophobicContact CB-CG2 4.14Å; P80-T98 VanDerWaalsContact CD-OG1 3.27Å; P80-T98 WeakPolarHBondContact CD-OG1 3.42Å; P80-T98 WeakPolarHBondContact O-CG2 3.49Å; P80-T98 PolarHBondContact O-N 2.81Å; P80-T98 PolarHBondContact O-OG1 3.41Å
81	V	97.7	Very high	94.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	122.1	172.9	-170.7	0	0	0	0	109.3	I40 C55 I60 H79 L84 A96	I40-V81 WeakPolarHBondContact CG2-O 3.17Å; C55-V81 PolarHBondContact O-N 2.8Å; I60-V81 HydrophobicContact CG1-CG2 4.15Å; H79-V81 PolarHBondContact O-N 2.98Å; V81-L84 HydrophobicContact CG1-CD2 3.88Å; V81-L84 HydrophobicContact CG1-CG 4.26Å; V81-A96 CarbonylContact C-O 3.59Å; V81-A96 WeakPolarHBondContact CA-O 3.5Å; V81-A96 WeakPolarHBondContact CG1-O 3.47Å
82	C	97	Very high	94.8	Very high	16 Å²	16	33.5 Å²	33.5	11%	0.108	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	-23.6	-174.3	65.4	0	0	0	0	114.6	A96 T98 V122 L495	C82-A96 PolarHBondContact N-O 2.88Å; C82-A96 PolarHBondContact SG-O 2.89Å; C82-A96 VanDerWaalsContact SG-O 3.36Å; C82-T98 HydrophobicContact CB-CG2 4.03Å; C82-V122 PolarHBondContact SG-O 2.91Å; C82-L495 HydrophobicContact CB-CD1 3.79Å
83	S	98.1	Very high	95.2	Very high	14 Å²	14	31.1 Å²	31.1	10%	0.098	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	147.9	-177.7	-171.2	0	0	0	0	111.3	S95 A96 V125	S83-S95 WeakPolarHBondContact O-CA 3.21Å; S83-A96 PolarHBondContact O-N 2.9Å; S83-V125 PolarHBondContact OG-N 3.38Å; S83-V125 VanDerWaalsContact OG-N 3.15Å
84	L	98.5	Very high	95.4	Very high	9 Å²	9	28.8 Å²	28.8	5%	0.047	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	146.1	-176.5	-70.1	176.2	0	0	0	111.3	T41 Q43 A52 I60 V81 L93 L94	T41-L84 HydrophobicContact CG2-CD1 4.2Å; T41-L84 HydrophobicContact CG2-CG 4.14Å; Q43-L84 HydrophobicContact CB-CB 3.85Å; A52-L84 HydrophobicContact CB-CD1 3.83Å; I60-L84 HydrophobicContact CD1-CD2 3.86Å; I60-L84 HydrophobicContact CG1-CD2 4.34Å; I60-L84 HydrophobicContact CG2-CD1 4.49Å; I60-L84 HydrophobicContact CG2-CD2 4.48Å; V81-L84 HydrophobicContact CG1-CD2 3.88Å; V81-L84 HydrophobicContact CG1-CG 4.26Å; L84-L93 HydrophobicContact CD2-CD2 4.24Å; L84-L93 HydrophobicContact CD2-CG 4.42Å; L84-L94 CarbonylContact C-O 3.54Å; L84-L94 WeakPolarHBondContact CA-O 3.25Å
85	S	98.1	Very high	95.7	Very high	13 Å²	13	28.6 Å²	28.6	9%	0.091	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	135.2	172.5	-170.8	0	0	0	0	111.4	L94 Q126 F127	S85-L94 PolarHBondContact N-O 2.79Å; S85-L94 WeakPolarHBondContact O-CB 3.23Å; S85-L94 PolarHBondContact O-N 2.77Å; S85-Q126 WeakPolarHBondContact OG-CA 3.46Å; S85-F127 PolarHBondContact OG-N 2.79Å; S85-F127 VanDerWaalsContact OG-N 3.08Å
86	W	96.9	Very high	95.9	Very high	18 Å²	18	23.4 Å²	23.4	7%	0.068	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	149.5	174.5	-64.4	82.9	0	0	0	111.2	Q43 F44 N45 L50 A52 I62 S90 L93 V107	Q43-W86 PolarHBondContact O-NE1 2.94Å; F44-W86 VanDerWaalsContact O-CD1 3.26Å; N45-W86 HydrophobicContact CB-CD2 3.61Å; N45-W86 HydrophobicContact CB-CE3 3.88Å; N45-W86 HydrophobicContact CB-CG 3.95Å; N45-W86 HydrophobicContact CB-CH2 4.34Å; N45-W86 HydrophobicContact CB-CZ2 4.11Å; N45-W86 HydrophobicContact CB-CZ3 4.23Å; L50-W86 HydrophobicContact CB-CH2 3.72Å; L50-W86 HydrophobicContact CB-CZ2 3.92Å; L50-W86 HydrophobicContact CD1-CH2 3.88Å; L50-W86 HydrophobicContact CD1-CZ3 4.18Å; L50-W86 HydrophobicContact CG-CH2 4.47Å; A52-W86 HydrophobicContact CB-CZ2 3.74Å; I62-W86 HydrophobicContact CD1-CH2 4.44Å; I62-W86 HydrophobicContact CG2-CH2 4.03Å; I62-W86 HydrophobicContact CG2-CZ2 4.42Å; W86-S90 VanDerWaalsContact CE3-O 3.29Å; W86-S90 VanDerWaalsContact CZ3-O 3.27Å; W86-S90 WeakPolarHBondContact CZ3-O 3.36Å; W86-L93 HydrophobicContact CD2-CD1 3.73Å; W86-L93 HydrophobicContact CE3-CD1 4.34Å; W86-L93 HydrophobicContact CG-CD1 3.83Å; W86-L93 HydrophobicContact CZ2-CD1 4.41Å; W86-V107 HydrophobicContact CE3-CG2 4.37Å; W86-V107 HydrophobicContact CH2-CG1 4.38Å; W86-V107 HydrophobicContact CZ3-CB 4.47Å; W86-V107 HydrophobicContact CZ3-CG1 4.12Å; W86-V107 HydrophobicContact CZ3-CG2 3.83Å
87	S	95.4	Very high	96.1	Very high	5 Å²	5	22.7 Å²	22.7	4%	0.035	13%	0.125	C	C	.	.			trans	-71.5	164.1	167.7	50.8	0	0	0	0	112.2	D89 S90 R92 F127	S87-D89 VanDerWaalsContact C-N 3.28Å; S87-D89 WeakPolarHBondContact CB-OD1 3.46Å; S87-D89 PolarHBondContact O-N 2.94Å; S87-D89 PolarHBondContact OG-OD1 2.88Å; S87-S90 WeakPolarHBondContact O-CA 3.42Å; S87-S90 PolarHBondContact O-N 2.71Å; S87-R92 PolarHBondContact N-O 3.49Å; S87-R92 PolarHBondContact OG-N 2.48Å; S87-R92 PolarHBondContact OG-O 3.04Å; S87-R92 VanDerWaalsContact OG-O 3.04Å; S87-F127 VanDerWaalsContact N-CD2 3.34Å
88	R	92.2	Very high	96.2	Very high	63 Å²	63	22.4 Å²	22.4	24%	0.238	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-38.8	-178.2	-175.5	-173.2	176.6	97.5	-3.5	112.8	R46 S90 A129 D405 E406	R46-R88 WeakPolarHBondContact CD-O 3.43Å; R88-S90 VanDerWaalsContact C-N 3.25Å; R88-S90 PolarHBondContact O-N 3.01Å; R88-A129 WeakPolarHBondContact CD-O 3.28Å; R88-A129 PolarHBondContact NH1-O 2.71Å; R88-D405 IonicContact CZ-OD1 3.29Å; R88-D405 VanDerWaalsContact CZ-OD1 3.25Å; R88-D405 IonicContact NH1-OD1 3.24Å; R88-D405 PolarHBondContact NH1-OD1 2.94Å; R88-D405 IonicContact NH2-OD1 3.58Å; R88-D405 PolarHBondContact NH2-OD1 3.29Å; R88-E406 PolarHBondContact NH2-O 2.48Å
89	D	92	Very high	96.3	Very high	39 Å²	39	19.8 Å²	19.8	21%	0.209	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-6	175.4	62.5	5	0	0	0	113.5	S87 K91 I411 L412	S87-D89 VanDerWaalsContact C-N 3.28Å; S87-D89 WeakPolarHBondContact CB-OD1 3.46Å; S87-D89 PolarHBondContact O-N 2.94Å; S87-D89 PolarHBondContact OG-OD1 2.88Å; D89-K91 HydrophobicContact CB-CG 4.34Å; D89-K91 PolarHBondContact O-N 3.32Å; D89-K91 PolarHBondContact OD1-N 2.91Å; D89-I411 WeakPolarHBondContact O-CA 3.23Å; D89-L412 PolarHBondContact O-N 3.4Å
90	S	94.3	Very high	96.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	56.3	11.4	-172.4	-52	0	0	0	0	115.7	R46 W86 S87 R88	R46-S90 PolarHBondContact N-OG 3.08Å; W86-S90 VanDerWaalsContact CE3-O 3.29Å; W86-S90 VanDerWaalsContact CZ3-O 3.27Å; W86-S90 WeakPolarHBondContact CZ3-O 3.36Å; S87-S90 WeakPolarHBondContact O-CA 3.42Å; S87-S90 PolarHBondContact O-N 2.71Å; R88-S90 VanDerWaalsContact C-N 3.25Å; R88-S90 PolarHBondContact O-N 3.01Å
91	K	94.5	Very high	96.4	Very high	42 Å²	42	16.2 Å²	16.2	18%	0.183	8%	0.081	C	C	.	.	S	Bend	trans	-83.5	-22.9	-179.2	-71.1	-175.7	174.7	-169.3	0	113.9	D89 V107 D410 L412	D89-K91 HydrophobicContact CB-CG 4.34Å; D89-K91 PolarHBondContact O-N 3.32Å; D89-K91 PolarHBondContact OD1-N 2.91Å; K91-V107 WeakPolarHBondContact O-CB 3.31Å; K91-V107 WeakPolarHBondContact O-CG2 3.44Å; K91-V107 PolarHBondContact O-N 2.58Å; K91-D410 WeakPolarHBondContact CE-O 3.38Å; K91-D410 WeakPolarHBondContact CE-OD1 3.31Å; K91-D410 IonicContact NZ-OD1 3.27Å; K91-D410 PolarHBondContact NZ-OD1 3.22Å; K91-D410 IonicContact NZ-OD2 3.62Å; K91-D410 PolarHBondContact NZ-OD2 2.87Å; K91-L412 HydrophobicContact CG-CB 3.87Å
92	R	96.1	Very high	96.4	Very high	32 Å²	32	16.2 Å²	16.2	12%	0.121	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	138.9	179.9	-60.3	-173.2	-66.7	159	4.7	111.3	S87 I104 W105 E113 F127 P132	S87-R92 PolarHBondContact N-O 3.49Å; S87-R92 PolarHBondContact OG-N 2.48Å; S87-R92 PolarHBondContact OG-O 3.04Å; S87-R92 VanDerWaalsContact OG-O 3.04Å; R92-I104 HydrophobicContact CB-CG2 4.23Å; R92-W105 CarbonylContact C-O 3.54Å; R92-W105 VanDerWaalsContact CA-O 3.29Å; R92-W105 WeakPolarHBondContact CA-O 3.48Å; R92-E113 WeakPolarHBondContact CD-OE1 3.48Å; R92-E113 WeakPolarHBondContact CD-OE2 3.05Å; R92-E113 IonicContact NH1-OE2 3.56Å; R92-F127 HydrophobicContact CB-CE2 4.48Å; R92-F127 HydrophobicContact CB-CZ 4.02Å; R92-P132 PolarHBondContact NH2-O 2.76Å
93	L	97.8	Very high	96.4	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124.7	175.7	-173.9	70.9	0	0	0	109.1	A52 I60 L74 L84 W86 W105 V107	A52-L93 HydrophobicContact CB-CD1 3.95Å; A52-L93 HydrophobicContact CB-CD2 3.89Å; I60-L93 HydrophobicContact CD1-CD2 3.89Å; I60-L93 HydrophobicContact CG2-CD2 3.82Å; L74-L93 HydrophobicContact CD1-CD2 4.27Å; L84-L93 HydrophobicContact CD2-CD2 4.24Å; L84-L93 HydrophobicContact CD2-CG 4.42Å; W86-L93 HydrophobicContact CD2-CD1 3.73Å; W86-L93 HydrophobicContact CE3-CD1 4.34Å; W86-L93 HydrophobicContact CG-CD1 3.83Å; W86-L93 HydrophobicContact CZ2-CD1 4.41Å; L93-W105 HydrophobicContact CB-CB 4.46Å; L93-W105 PolarHBondContact N-O 2.82Å; L93-W105 PolarHBondContact O-N 2.87Å; L93-V107 HydrophobicContact CB-CG2 3.84Å
94	L	98.3	Very high	96.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	130.4	172.3	-178.9	71.5	0	0	0	108.2	L84 S85 V102 I104 V125 F127 L135	L84-L94 CarbonylContact C-O 3.54Å; L84-L94 WeakPolarHBondContact CA-O 3.25Å; S85-L94 PolarHBondContact N-O 2.79Å; S85-L94 WeakPolarHBondContact O-CB 3.23Å; S85-L94 PolarHBondContact O-N 2.77Å; L94-V102 HydrophobicContact CD1-CG1 3.62Å; L94-V102 HydrophobicContact CG-CG1 4.31Å; L94-I104 HydrophobicContact CD1-CG1 4Å; L94-V125 HydrophobicContact CD2-CB 3.66Å; L94-V125 HydrophobicContact CD2-CG2 3.84Å; L94-V125 HydrophobicContact CG-CB 4.11Å; L94-V125 HydrophobicContact CG-CG2 3.86Å; L94-F127 HydrophobicContact CB-CD2 3.82Å; L94-F127 HydrophobicContact CB-CE2 3.47Å; L94-F127 VanDerWaalsContact CB-CE2 3.47Å; L94-F127 HydrophobicContact CB-CZ 4.06Å; L94-F127 HydrophobicContact CD2-CD2 4.41Å; L94-L135 HydrophobicContact CD1-CD1 3.78Å; L94-L135 HydrophobicContact CD1-CD2 3.95Å; L94-L135 HydrophobicContact CD1-CG 4.45Å; L94-L135 HydrophobicContact CD2-CD2 3.86Å; L94-L135 HydrophobicContact CG-CD2 4.48Å
95	S	98.5	Very high	96.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	141.7	177.1	61.6	0	0	0	0	111.8	H77 S83 V102 S103 W105	H77-S95 PolarHBondContact NE2-OG 3.44Å; S83-S95 WeakPolarHBondContact O-CA 3.21Å; S95-V102 CarbonylContact O-C 3.6Å; S95-V102 WeakPolarHBondContact O-CA 3.37Å; S95-S103 PolarHBondContact N-O 3.01Å; S95-S103 PolarHBondContact O-N 2.87Å; S95-W105 PolarHBondContact OG-NE1 2.96Å
96	A	98.2	Very high	96.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	143.6	171.8	0	0	0	0	0	110.6	V81 C82 S83 T101 V102 V122 V125	V81-A96 CarbonylContact C-O 3.59Å; V81-A96 WeakPolarHBondContact CA-O 3.5Å; V81-A96 WeakPolarHBondContact CG1-O 3.47Å; C82-A96 PolarHBondContact N-O 2.88Å; C82-A96 PolarHBondContact SG-O 2.89Å; C82-A96 VanDerWaalsContact SG-O 3.36Å; S83-A96 PolarHBondContact O-N 2.9Å; A96-T101 WeakPolarHBondContact CA-O 3.17Å; A96-V102 HydrophobicContact CB-CG2 4.05Å; A96-V122 HydrophobicContact CB-CB 4.3Å; A96-V122 HydrophobicContact CB-CG1 3.77Å; A96-V125 HydrophobicContact CB-CG1 3.75Å; A96-V125 HydrophobicContact CB-CG2 4.02Å
97	S	97.5	Very high	96	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	159.1	-177.8	175.3	0	0	0	0	112.1	H77 H79 P80 D99 N100 T101	H77-S97 VanDerWaalsContact CG-CB 3.45Å; H77-S97 WeakPolarHBondContact ND1-CB 3.46Å; H79-S97 WeakPolarHBondContact CB-OG 3.45Å; H79-S97 PolarHBondContact O-OG 3.03Å; P80-S97 WeakPolarHBondContact O-CA 3.32Å; S97-D99 WeakPolarHBondContact CB-OD1 3.41Å; S97-D99 PolarHBondContact O-N 2.87Å; S97-D99 PolarHBondContact OG-N 3.08Å; S97-D99 PolarHBondContact OG-OD1 3.48Å; S97-D99 VanDerWaalsContact OG-OD1 3.09Å; S97-D99 PolarHBondContact OG-OD2 2.7Å; S97-N100 PolarHBondContact O-N 3.38Å; S97-N100 VanDerWaalsContact O-N 3.16Å; S97-T101 PolarHBondContact N-O 2.91Å
98	T	96.3	Very high	95.8	Very high	11 Å²	11	19.7 Å²	19.7	7%	0.067	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	7.3	177.5	58.6	0	0	0	0	114.8	P80 C82 H493 L495 V496	P80-T98 HydrophobicContact CB-CG2 4.14Å; P80-T98 VanDerWaalsContact CD-OG1 3.27Å; P80-T98 WeakPolarHBondContact CD-OG1 3.42Å; P80-T98 WeakPolarHBondContact O-CG2 3.49Å; P80-T98 PolarHBondContact O-N 2.81Å; P80-T98 PolarHBondContact O-OG1 3.41Å; C82-T98 HydrophobicContact CB-CG2 4.03Å; T98-H493 HydrophobicContact CG2-CB 3.88Å; T98-H493 WeakPolarHBondContact CG2-ND1 3.29Å; T98-L495 HydrophobicContact CG2-CB 4.25Å; T98-L495 HydrophobicContact CG2-CD1 4.21Å; T98-V496 HydrophobicContact CG2-CG2 4.19Å
99	D	93.9	Very high	95.8	Very high	38 Å²	38	20.3 Å²	20.3	20%	0.203	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	8.4	163.3	53.7	36	0	0	0	113.1	H79 S97 T101 Q117	H79-D99 HydrophobicContact CB-CB 3.97Å; H79-D99 WeakPolarHBondContact CB-OD2 3.22Å; H79-D99 IonicContact CG-OD2 2.8Å; S97-D99 WeakPolarHBondContact CB-OD1 3.41Å; S97-D99 PolarHBondContact O-N 2.87Å; S97-D99 PolarHBondContact OG-N 3.08Å; S97-D99 PolarHBondContact OG-OD1 3.48Å; S97-D99 VanDerWaalsContact OG-OD1 3.09Å; S97-D99 PolarHBondContact OG-OD2 2.7Å; D99-T101 VanDerWaalsContact C-N 3.26Å; D99-T101 PolarHBondContact O-N 2.67Å; D99-T101 VanDerWaalsContact OD1-CB 3.28Å; D99-T101 WeakPolarHBondContact OD1-CB 3.19Å; D99-T101 WeakPolarHBondContact OD1-CG2 3.43Å; D99-T101 PolarHBondContact OD1-N 3.35Å; D99-T101 PolarHBondContact OD1-OG1 2.72Å; D99-Q117 PolarHBondContact O-NE2 3.31Å; D99-Q117 VanDerWaalsContact O-NE2 3.12Å
100	N	95.6	Very high	95.7	Very high	24 Å²	24	20.3 Å²	20.3	13%	0.128	11%	0.113	C	C	.	.	S	Bend	trans	69	13.9	-177.5	-44.4	-11.6	0	0	0	114.3	S97 Q117 F118 P121	S97-N100 PolarHBondContact O-N 3.38Å; S97-N100 VanDerWaalsContact O-N 3.16Å; N100-Q117 PolarHBondContact O-NE2 3.08Å; N100-F118 HydrophobicContact CB-CB 4.36Å; N100-F118 WeakPolarHBondContact CB-O 3.28Å; N100-F118 WeakPolarHBondContact O-CB 3.23Å; N100-F118 PolarHBondContact O-N 3.38Å; N100-P121 VanDerWaalsContact OD1-CA 3.23Å; N100-P121 WeakPolarHBondContact OD1-CA 3.24Å
101	T	96.8	Very high	95.7	Very high	16 Å²	16	22.6 Å²	22.6	10%	0.098	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	151	169.1	65.2	0	0	0	0	112.4	H77 A96 S97 D99 T115 F116 Q117	H77-T101 PolarHBondContact CE1-OG1 3.37Å; H77-T101 VanDerWaalsContact CE1-OG1 3.26Å; H77-T101 PolarHBondContact ND1-OG1 3.37Å; H77-T101 VanDerWaalsContact ND1-OG1 3.13Å; A96-T101 WeakPolarHBondContact CA-O 3.17Å; S97-T101 PolarHBondContact N-O 2.91Å; D99-T101 VanDerWaalsContact C-N 3.26Å; D99-T101 PolarHBondContact O-N 2.67Å; D99-T101 VanDerWaalsContact OD1-CB 3.28Å; D99-T101 WeakPolarHBondContact OD1-CB 3.19Å; D99-T101 WeakPolarHBondContact OD1-CG2 3.43Å; D99-T101 PolarHBondContact OD1-N 3.35Å; D99-T101 PolarHBondContact OD1-OG1 2.72Å; T101-T115 HydrophobicContact CG2-CG2 4.17Å; T101-F116 CarbonylContact C-O 3.57Å; T101-F116 WeakPolarHBondContact CA-O 3.27Å; T101-Q117 VanDerWaalsContact CG2-OE1 3.3Å
102	V	97.9	Very high	95.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	120	168.9	176.9	0	0	0	0	108	L94 S95 A96 T115 F116 F118 V122 V125	L94-V102 HydrophobicContact CD1-CG1 3.62Å; L94-V102 HydrophobicContact CG-CG1 4.31Å; S95-V102 CarbonylContact O-C 3.6Å; S95-V102 WeakPolarHBondContact O-CA 3.37Å; A96-V102 HydrophobicContact CB-CG2 4.05Å; V102-T115 CarbonylContact O-C 3.56Å; V102-F116 HydrophobicContact CB-CB 4.41Å; V102-F116 PolarHBondContact N-O 3.13Å; V102-F116 PolarHBondContact O-N 3.31Å; V102-F118 HydrophobicContact CB-CD2 4.46Å; V102-F118 HydrophobicContact CB-CE2 4.11Å; V102-F118 HydrophobicContact CG2-CD2 3.9Å; V102-F118 HydrophobicContact CG2-CE2 3.75Å; V102-V122 HydrophobicContact CG2-CB 4.25Å; V102-V122 HydrophobicContact CG2-CG1 3.98Å; V102-V122 HydrophobicContact CG2-CG2 3.9Å; V102-V125 HydrophobicContact CG1-CG1 3.92Å; V102-V125 HydrophobicContact CG2-CG1 3.9Å
103	S	97.6	Very high	95.6	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.021	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143.3	-172.9	-62.7	0	0	0	0	112.5	S95 W105 Q114 T115	S95-S103 PolarHBondContact N-O 3.01Å; S95-S103 PolarHBondContact O-N 2.87Å; S103-W105 VanDerWaalsContact CB-NE1 3.3Å; S103-W105 PolarHBondContact O-NE1 2.82Å; S103-Q114 WeakPolarHBondContact CA-O 3.12Å; S103-T115 WeakPolarHBondContact OG-CG2 3.36Å; S103-T115 PolarHBondContact OG-OG1 3.47Å
104	I	97.7	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.5	172.7	-56.7	165.8	0	0	0	108.4	R92 L94 C112 E113 Q114 F116 F127 L135 I149	R92-I104 HydrophobicContact CB-CG2 4.23Å; L94-I104 HydrophobicContact CD1-CG1 4Å; I104-C112 CarbonylContact O-C 3.59Å; I104-C112 WeakPolarHBondContact O-CA 3.45Å; I104-E113 HydrophobicContact CB-CB 4.31Å; I104-E113 HydrophobicContact CG2-CB 4.17Å; I104-E113 HydrophobicContact CG2-CG 4.4Å; I104-E113 WeakPolarHBondContact CG2-OE2 3.5Å; I104-E113 PolarHBondContact O-N 3.33Å; I104-Q114 HydrophobicContact CD1-CB 4.38Å; I104-Q114 PolarHBondContact N-O 3.34Å; I104-F116 HydrophobicContact CD1-CE2 4.06Å; I104-F127 HydrophobicContact CG2-CZ 4.48Å; I104-L135 HydrophobicContact CD1-CD1 4.29Å; I104-L135 HydrophobicContact CG1-CD1 4.48Å; I104-I149 HydrophobicContact CD1-CB 4.44Å; I104-I149 HydrophobicContact CD1-CD1 3.81Å; I104-I149 HydrophobicContact CD1-CG1 4.03Å; I104-I149 HydrophobicContact CD1-CG2 3.55Å
105	W	96.9	Very high	95.3	Very high	19 Å²	19	25.4 Å²	25.4	7%	0.072	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.6	-177.6	-59.2	85.3	0	0	0	110.4	L74 A76 R92 L93 S95 S103 V107 A111 C112	L74-W105 HydrophobicContact CD1-CB 3.84Å; L74-W105 HydrophobicContact CD1-CD2 4.5Å; L74-W105 HydrophobicContact CD1-CG 4.12Å; A76-W105 VanDerWaalsContact CA-CH2 3.44Å; A76-W105 VanDerWaalsContact CA-CZ2 3.41Å; A76-W105 HydrophobicContact CB-CD2 4.28Å; A76-W105 HydrophobicContact CB-CH2 4.12Å; A76-W105 HydrophobicContact CB-CZ2 3.64Å; A76-W105 WeakPolarHBondContact O-CH2 3.42Å; A76-W105 WeakPolarHBondContact O-CZ2 3.22Å; R92-W105 CarbonylContact C-O 3.54Å; R92-W105 VanDerWaalsContact CA-O 3.29Å; R92-W105 WeakPolarHBondContact CA-O 3.48Å; L93-W105 HydrophobicContact CB-CB 4.46Å; L93-W105 PolarHBondContact N-O 2.82Å; L93-W105 PolarHBondContact O-N 2.87Å; S95-W105 PolarHBondContact OG-NE1 2.96Å; S103-W105 VanDerWaalsContact CB-NE1 3.3Å; S103-W105 PolarHBondContact O-NE1 2.82Å; W105-V107 PolarHBondContact O-N 3.02Å; W105-A111 WeakPolarHBondContact CA-O 3.42Å; W105-C112 HydrophobicContact CD2-CB 4.4Å; W105-C112 HydrophobicContact CE3-CB 3.92Å; W105-C112 HydrophobicContact CH2-CB 3.61Å; W105-C112 HydrophobicContact CZ2-CB 4.11Å; W105-C112 HydrophobicContact CZ3-CB 3.53Å
106	N	94.9	Very high	95.3	Very high	40 Å²	40	25.4 Å²	25.4	21%	0.214	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	118	168.3	-165.7	-80.2	0	0	0	109.1	L108 S109 S110 A111 E113	N106-L108 PolarHBondContact O-N 2.95Å; N106-L108 PolarHBondContact OD1-N 3.4Å; N106-S109 WeakPolarHBondContact CB-OG 3.39Å; N106-S109 PolarHBondContact OD1-N 2.91Å; N106-S109 VanDerWaalsContact OD1-N 3.08Å; N106-S109 PolarHBondContact OD1-OG 3.26Å; N106-S110 WeakPolarHBondContact O-CA 3.3Å; N106-S110 PolarHBondContact O-N 2.86Å; N106-A111 PolarHBondContact N-O 3.5Å; N106-E113 HydrophobicContact CB-CG 4.07Å; N106-E113 WeakPolarHBondContact CB-OE1 3.49Å; N106-E113 PolarHBondContact ND2-OE1 2.87Å
107	V	93.8	Very high	95.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-31.5	-171	-179.5	0	0	0	0	111.5	I62 K72 W86 K91 L93 W105 L412 L415	I62-V107 HydrophobicContact CD1-CG1 3.75Å; K72-V107 WeakPolarHBondContact CD-O 3.48Å; K72-V107 PolarHBondContact NZ-O 2.99Å; W86-V107 HydrophobicContact CE3-CG2 4.37Å; W86-V107 HydrophobicContact CH2-CG1 4.38Å; W86-V107 HydrophobicContact CZ3-CB 4.47Å; W86-V107 HydrophobicContact CZ3-CG1 4.12Å; W86-V107 HydrophobicContact CZ3-CG2 3.83Å; K91-V107 WeakPolarHBondContact O-CB 3.31Å; K91-V107 WeakPolarHBondContact O-CG2 3.44Å; K91-V107 PolarHBondContact O-N 2.58Å; L93-V107 HydrophobicContact CB-CG2 3.84Å; W105-V107 PolarHBondContact O-N 3.02Å; V107-L412 HydrophobicContact CB-CD2 4.18Å; V107-L412 HydrophobicContact CG1-CD2 4.07Å; V107-L415 HydrophobicContact CG1-CD1 3.84Å; V107-L415 HydrophobicContact CG1-CD2 4.17Å; V107-L415 HydrophobicContact CG1-CG 4.46Å
108	L	92	Very high	95.1	Very high	86 Å²	86	28.7 Å²	28.7	45%	0.45	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-45.8	178.6	-76.3	168.9	0	0	0	112.7	K72 N106 L412 L415	K72-L108 VanDerWaalsContact NZ-C 3.33Å; K72-L108 PolarHBondContact NZ-O 3.13Å; N106-L108 PolarHBondContact O-N 2.95Å; N106-L108 PolarHBondContact OD1-N 3.4Å; L108-L412 HydrophobicContact CD1-CD1 4.31Å; L108-L412 HydrophobicContact CD2-CD1 3.83Å; L108-L412 HydrophobicContact CD2-CD2 4.4Å; L108-L412 HydrophobicContact CG-CD1 4.17Å; L108-L412 HydrophobicContact CG-CD2 4.13Å; L108-L415 HydrophobicContact CD2-CD2 3.93Å
109	S	91.7	Very high	95	Very high	77 Å²	77	30.4 Å²	30.4	54%	0.538	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-13.2	178.4	70	0	0	0	0	114.5	N106 A111	N106-S109 WeakPolarHBondContact CB-OG 3.39Å; N106-S109 PolarHBondContact OD1-N 2.91Å; N106-S109 VanDerWaalsContact OD1-N 3.08Å; N106-S109 PolarHBondContact OD1-OG 3.26Å; S109-A111 PolarHBondContact O-N 2.96Å; S109-A111 WeakPolarHBondContact OG-CB 3.47Å; S109-A111 PolarHBondContact OG-N 3.36Å
110	S	90.5	Very high	94.9	Very high	39 Å²	39	28.6 Å²	28.6	27%	0.273	17%	0.167	S	C	.	.			trans	59.9	11.3	-167.5	-64.1	0	0	0	0	115.2	K72 L74 N106	K72-S110 WeakPolarHBondContact CE-OG 3.32Å; K72-S110 PolarHBondContact NZ-OG 3.4Å; L74-S110 VanDerWaalsContact CD2-OG 3.24Å; L74-S110 WeakPolarHBondContact CD2-OG 3.36Å; N106-S110 WeakPolarHBondContact O-CA 3.3Å; N106-S110 PolarHBondContact O-N 2.86Å
111	A	92.9	Very high	94.9	Very high	48 Å²	48	27.4 Å²	27.4	40%	0.397	16%	0.161	S	C	.	.			trans	-75.3	145.8	176.8	0	0	0	0	0	111.8	W105 N106 S109	W105-A111 WeakPolarHBondContact CA-O 3.42Å; N106-A111 PolarHBondContact N-O 3.5Å; S109-A111 PolarHBondContact O-N 2.96Å; S109-A111 WeakPolarHBondContact OG-CB 3.47Å; S109-A111 PolarHBondContact OG-N 3.36Å
112	C	95.2	Very high	94.9	Very high	27 Å²	27	26.7 Å²	26.7	18%	0.182	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	120.4	161.6	-171.1	0	0	0	0	108.5	I104 W105 T115 P477	I104-C112 CarbonylContact O-C 3.59Å; I104-C112 WeakPolarHBondContact O-CA 3.45Å; W105-C112 HydrophobicContact CD2-CB 4.4Å; W105-C112 HydrophobicContact CE3-CB 3.92Å; W105-C112 HydrophobicContact CH2-CB 3.61Å; W105-C112 HydrophobicContact CZ2-CB 4.11Å; W105-C112 HydrophobicContact CZ3-CB 3.53Å; C112-T115 PolarHBondContact SG-OG1 2.86Å; C112-T115 VanDerWaalsContact SG-OG1 3.41Å; C112-P477 HydrophobicContact CB-CB 3.89Å; C112-P477 HydrophobicContact CB-CG 4.03Å
113	E	94.4	Very high	94.8	Very high	67 Å²	67	30.3 Å²	30.3	31%	0.313	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-43.1	178.2	-62.8	-177.8	178	0	0	110.8	R92 I104 N106 P478	R92-E113 WeakPolarHBondContact CD-OE1 3.48Å; R92-E113 WeakPolarHBondContact CD-OE2 3.05Å; R92-E113 IonicContact NH1-OE2 3.56Å; I104-E113 HydrophobicContact CB-CB 4.31Å; I104-E113 HydrophobicContact CG2-CB 4.17Å; I104-E113 HydrophobicContact CG2-CG 4.4Å; I104-E113 WeakPolarHBondContact CG2-OE2 3.5Å; I104-E113 PolarHBondContact O-N 3.33Å; N106-E113 HydrophobicContact CB-CG 4.07Å; N106-E113 WeakPolarHBondContact CB-OE1 3.49Å; N106-E113 PolarHBondContact ND2-OE1 2.87Å; E113-P478 WeakPolarHBondContact O-CG 3.32Å
114	Q	93.9	Very high	94.8	Very high	29 Å²	29	32.6 Å²	32.6	14%	0.136	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	149.4	-175.7	-165.1	173.8	14.4	0	0	110.6	S103 I104 F116 I149 P478	S103-Q114 WeakPolarHBondContact CA-O 3.12Å; I104-Q114 HydrophobicContact CD1-CB 4.38Å; I104-Q114 PolarHBondContact N-O 3.34Å; Q114-F116 HydrophobicContact CG-CE1 4.19Å; Q114-F116 HydrophobicContact CG-CE2 4.23Å; Q114-F116 HydrophobicContact CG-CZ 3.84Å; Q114-I149 PolarHBondContact NE2-O 3.28Å; Q114-I149 PolarHBondContact OE1-O 2.73Å; Q114-P478 HydrophobicContact CG-CG 4.38Å
115	T	96.3	Very high	94.8	Very high	10 Å²	10	32.7 Å²	32.7	6%	0.061	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.4	175.3	-66.9	0	0	0	0	110.2	T101 V102 S103 C112 P478 T479 V480	T101-T115 HydrophobicContact CG2-CG2 4.17Å; V102-T115 CarbonylContact O-C 3.56Å; S103-T115 WeakPolarHBondContact OG-CG2 3.36Å; S103-T115 PolarHBondContact OG-OG1 3.47Å; C112-T115 PolarHBondContact SG-OG1 2.86Å; C112-T115 VanDerWaalsContact SG-OG1 3.41Å; T115-P478 PolarHBondContact N-O 2.95Å; T115-T479 HydrophobicContact CG2-CG2 4.21Å; T115-T479 CarbonylContact O-C 3.57Å; T115-T479 VanDerWaalsContact O-CA 3.31Å; T115-T479 WeakPolarHBondContact O-CA 3.39Å; T115-V480 PolarHBondContact O-N 2.98Å
116	F	96.6	Very high	94.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	117.2	175	-57.8	-74.9	0	0	0	108.9	T101 V102 I104 Q114 F118 L135 I147 V480 I482	T101-F116 CarbonylContact C-O 3.57Å; T101-F116 WeakPolarHBondContact CA-O 3.27Å; V102-F116 HydrophobicContact CB-CB 4.41Å; V102-F116 PolarHBondContact N-O 3.13Å; V102-F116 PolarHBondContact O-N 3.31Å; I104-F116 HydrophobicContact CD1-CE2 4.06Å; Q114-F116 HydrophobicContact CG-CE1 4.19Å; Q114-F116 HydrophobicContact CG-CE2 4.23Å; Q114-F116 HydrophobicContact CG-CZ 3.84Å; F116-F118 HydrophobicContact CB-CD2 4.46Å; F116-F118 HydrophobicContact CB-CE2 3.97Å; F116-L135 HydrophobicContact CD2-CD1 4.2Å; F116-L135 HydrophobicContact CE2-CD1 3.73Å; F116-I147 HydrophobicContact CB-CD1 4.26Å; F116-I147 HydrophobicContact CD1-CD1 4.09Å; F116-I147 HydrophobicContact CD1-CG2 4.31Å; F116-I147 HydrophobicContact CD2-CD1 4.5Å; F116-I147 HydrophobicContact CE1-CG2 3.81Å; F116-I147 HydrophobicContact CE2-CG2 4.3Å; F116-I147 HydrophobicContact CG-CD1 4.02Å; F116-I147 HydrophobicContact CZ-CG2 3.79Å; F116-V480 CarbonylContact C-O 3.53Å; F116-V480 WeakPolarHBondContact CA-O 3.21Å; F116-V480 HydrophobicContact CD1-CB 3.87Å; F116-V480 HydrophobicContact CD1-CG1 4.35Å; F116-V480 HydrophobicContact CD1-CG2 4.46Å; F116-V480 HydrophobicContact CE1-CB 4.18Å; F116-V480 HydrophobicContact CE1-CG2 4.31Å; F116-I482 HydrophobicContact CB-CG1 4Å; F116-I482 HydrophobicContact CD1-CD1 3.94Å; F116-I482 HydrophobicContact CD1-CG1 4.31Å
117	Q	95.9	Very high	95	Very high	66 Å²	66	32.1 Å²	32.1	31%	0.308	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	117.5	175.2	179.9	68.6	68	0	0	109.2	D99 N100 T101 T479 V480 I482	D99-Q117 PolarHBondContact O-NE2 3.31Å; D99-Q117 VanDerWaalsContact O-NE2 3.12Å; N100-Q117 PolarHBondContact O-NE2 3.08Å; T101-Q117 VanDerWaalsContact CG2-OE1 3.3Å; Q117-T479 HydrophobicContact CB-CG2 4.14Å; Q117-V480 PolarHBondContact N-O 3.16Å; Q117-I482 PolarHBondContact O-N 2.96Å
118	F	96	Very high	95.1	Very high	3 Å²	3	32.3 Å²	32.3	1%	0.013	18%	0.182	C	C	.	.			trans	-91	152	173.4	-76.1	-102.7	0	0	0	111.6	N100 V102 F116 V122 V137 P139 I147 I482 L484	N100-F118 HydrophobicContact CB-CB 4.36Å; N100-F118 WeakPolarHBondContact CB-O 3.28Å; N100-F118 WeakPolarHBondContact O-CB 3.23Å; N100-F118 PolarHBondContact O-N 3.38Å; V102-F118 HydrophobicContact CB-CD2 4.46Å; V102-F118 HydrophobicContact CB-CE2 4.11Å; V102-F118 HydrophobicContact CG2-CD2 3.9Å; V102-F118 HydrophobicContact CG2-CE2 3.75Å; F116-F118 HydrophobicContact CB-CD2 4.46Å; F116-F118 HydrophobicContact CB-CE2 3.97Å; F118-V122 HydrophobicContact CB-CG2 3.99Å; F118-V122 HydrophobicContact CD1-CG2 4.26Å; F118-V122 HydrophobicContact CD2-CG2 3.9Å; F118-V122 HydrophobicContact CE2-CG2 4.48Å; F118-V122 HydrophobicContact CG-CG2 3.78Å; F118-V137 HydrophobicContact CE1-CB 4.29Å; F118-V137 HydrophobicContact CE1-CG1 3.85Å; F118-V137 HydrophobicContact CE2-CG1 4.11Å; F118-V137 HydrophobicContact CE2-CG2 4.33Å; F118-V137 HydrophobicContact CZ-CB 3.88Å; F118-V137 HydrophobicContact CZ-CG1 3.6Å; F118-V137 HydrophobicContact CZ-CG2 3.82Å; F118-P139 HydrophobicContact CD1-CG 4.5Å; F118-I147 HydrophobicContact CE2-CD1 3.97Å; F118-I147 HydrophobicContact CZ-CD1 3.51Å; F118-I482 HydrophobicContact CD1-CB 4.48Å; F118-I482 HydrophobicContact CD1-CG2 4.2Å; F118-I482 HydrophobicContact CE1-CB 4.5Å; F118-I482 HydrophobicContact CE1-CG2 3.98Å; F118-I482 HydrophobicContact CE2-CG1 4.26Å; F118-I482 HydrophobicContact CZ-CG1 4.32Å; F118-I482 HydrophobicContact CZ-CG2 4.37Å; F118-L484 HydrophobicContact CD1-CD1 3.83Å; F118-L484 HydrophobicContact CE1-CD1 4.17Å
119	P	94.1	Very high	95	Very high	46 Å²	46	29.9 Å²	29.9	30%	0.299	17%	0.174	S	C	.	.	S	Bend	trans	-78.8	-23.5	178.1	31.6	-33.9	0	0	0	112.6	I482 L484 A487 S489	P119-I482 WeakPolarHBondContact CD-O 3.27Å; P119-L484 HydrophobicContact CG-CB 3.96Å; P119-L484 HydrophobicContact CG-CD1 4.35Å; P119-L484 HydrophobicContact CG-CG 4.19Å; P119-A487 HydrophobicContact CG-CB 3.78Å; P119-S489 WeakPolarHBondContact O-CA 3.49Å
120	C	93	Very high	94.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-126.7	162.3	178.5	62.9	0	0	0	0	111.2	P139 A487 Q488	C120-P139 VanDerWaalsContact SG-CB 3.54Å; C120-A487 HydrophobicContact CB-CB 4.35Å; C120-Q488 VanDerWaalsContact CB-O 3.28Å; C120-Q488 WeakPolarHBondContact CB-O 3.2Å
121	P	95.5	Very high	95	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.			trans	-57.8	141.5	-177.2	-29	37.9	0	0	0	114.8	N100 P139 M140 E491 H493	N100-P121 VanDerWaalsContact OD1-CA 3.23Å; N100-P121 WeakPolarHBondContact OD1-CA 3.24Å; P121-P139 CarbonylContact O-C 3.55Å; P121-P139 WeakPolarHBondContact O-CA 3.37Å; P121-M140 HydrophobicContact CB-CB 4.19Å; P121-M140 HydrophobicContact CB-CE 4.22Å; P121-M140 HydrophobicContact CG-CE 3.97Å; P121-M140 PolarHBondContact O-N 2.79Å; P121-E491 WeakPolarHBondContact CD-O 3.2Å; P121-E491 HydrophobicContact CG-CB 4.3Å; P121-E491 WeakPolarHBondContact CG-O 3.5Å; P121-H493 HydrophobicContact CB-CB 3.94Å; P121-H493 HydrophobicContact CG-CB 4.43Å
122	V	96.3	Very high	94.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	129.7	176.9	174.9	0	0	0	0	110.5	C82 A96 V102 F118 V125 V137 H493	C82-V122 PolarHBondContact SG-O 2.91Å; A96-V122 HydrophobicContact CB-CB 4.3Å; A96-V122 HydrophobicContact CB-CG1 3.77Å; V102-V122 HydrophobicContact CG2-CB 4.25Å; V102-V122 HydrophobicContact CG2-CG1 3.98Å; V102-V122 HydrophobicContact CG2-CG2 3.9Å; F118-V122 HydrophobicContact CB-CG2 3.99Å; F118-V122 HydrophobicContact CD1-CG2 4.26Å; F118-V122 HydrophobicContact CD2-CG2 3.9Å; F118-V122 HydrophobicContact CE2-CG2 4.48Å; F118-V122 HydrophobicContact CG-CG2 3.78Å; V122-V125 HydrophobicContact CG1-CG1 3.62Å; V122-V137 HydrophobicContact CB-CG1 4.43Å; V122-V137 HydrophobicContact CG1-CG1 3.61Å; V122-V137 HydrophobicContact CG2-CG1 3.93Å; V122-H493 PolarHBondContact O-CD2 3.31Å; V122-H493 PolarHBondContact O-NE2 3.49Å
123	M	96.1	Very high	94.8	Very high	77 Å²	77	35.5 Å²	35.5	38%	0.379	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-33.1	-173.5	-60.4	-57.4	-49.1	0	0	113.9	C138 M140 H493 P494	M123-C138 WeakPolarHBondContact CB-O 3.41Å; M123-C138 PolarHBondContact N-O 3.39Å; M123-M140 HydrophobicContact CG-CB 3.79Å; M123-M140 HydrophobicContact CG-CG 4.24Å; M123-M140 HydrophobicContact SD-CB 3.91Å; M123-M140 HydrophobicContact SD-CG 4.04Å; M123-M140 HydrophobicContact SD-SD 3.73Å; M123-H493 VanDerWaalsContact SD-CD2 3.55Å; M123-H493 PolarHBondContact SD-NE2 3.15Å; M123-P494 HydrophobicContact CE-CG 4.07Å; M123-P494 HydrophobicContact SD-CG 4.33Å
124	K	97.5	Very high	94.8	Very high	50 Å²	50	33.6 Å²	33.6	22%	0.217	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	142.8	176.5	179.1	-176.7	170.2	-168.7	0	109.6	C138 A169 S170	K124-C138 HydrophobicContact CB-CB 4.09Å; K124-C138 PolarHBondContact N-O 2.76Å; K124-C138 PolarHBondContact O-N 3.27Å; K124-A169 PolarHBondContact NZ-O 3Å; K124-S170 VanDerWaalsContact NZ-CB 3.32Å; K124-S170 PolarHBondContact NZ-OG 3.28Å
125	V	98.3	Very high	95	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.018	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150.2	168.1	-64.6	0	0	0	0	111.1	S83 L94 A96 V102 V122 L136 V137	S83-V125 PolarHBondContact OG-N 3.38Å; S83-V125 VanDerWaalsContact OG-N 3.15Å; L94-V125 HydrophobicContact CD2-CB 3.66Å; L94-V125 HydrophobicContact CD2-CG2 3.84Å; L94-V125 HydrophobicContact CG-CB 4.11Å; L94-V125 HydrophobicContact CG-CG2 3.86Å; A96-V125 HydrophobicContact CB-CG1 3.75Å; A96-V125 HydrophobicContact CB-CG2 4.02Å; V102-V125 HydrophobicContact CG1-CG1 3.92Å; V102-V125 HydrophobicContact CG2-CG1 3.9Å; V122-V125 HydrophobicContact CG1-CG1 3.62Å; V125-L136 CarbonylContact C-O 3.5Å; V125-L136 WeakPolarHBondContact CA-O 3.27Å; V125-V137 HydrophobicContact CG1-CG1 4.12Å; V125-V137 HydrophobicContact CG1-CG2 4.13Å
126	Q	98.2	Very high	95.1	Very high	38 Å²	38	31.8 Å²	31.8	18%	0.178	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	128.6	-178	-164.2	-177.7	-9.1	0	0	111.4	S85 L136 S170 Y171	S85-Q126 WeakPolarHBondContact OG-CA 3.46Å; Q126-L136 HydrophobicContact CB-CB 4.43Å; Q126-L136 PolarHBondContact N-O 3.24Å; Q126-L136 PolarHBondContact O-N 3.44Å; Q126-S170 PolarHBondContact OE1-OG 3.24Å; Q126-S170 VanDerWaalsContact OE1-OG 3.1Å; Q126-Y171 HydrophobicContact CG-CD2 4.27Å; Q126-Y171 VanDerWaalsContact OE1-N 3.1Å
127	F	97.5	Very high	95.2	Very high	8 Å²	8	31.8 Å²	31.8	4%	0.035	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	146.7	163.8	-83.6	-74.5	0	0	0	110.8	S85 S87 R92 L94 I104 L135 I149	S85-F127 PolarHBondContact OG-N 2.79Å; S85-F127 VanDerWaalsContact OG-N 3.08Å; S87-F127 VanDerWaalsContact N-CD2 3.34Å; R92-F127 HydrophobicContact CB-CE2 4.48Å; R92-F127 HydrophobicContact CB-CZ 4.02Å; L94-F127 HydrophobicContact CB-CD2 3.82Å; L94-F127 HydrophobicContact CB-CE2 3.47Å; L94-F127 VanDerWaalsContact CB-CE2 3.47Å; L94-F127 HydrophobicContact CB-CZ 4.06Å; L94-F127 HydrophobicContact CD2-CD2 4.41Å; I104-F127 HydrophobicContact CG2-CZ 4.48Å; F127-L135 HydrophobicContact CD1-CD2 3.49Å; F127-L135 VanDerWaalsContact CD1-CD2 3.49Å; F127-L135 HydrophobicContact CE1-CD2 3.54Å; F127-L135 HydrophobicContact CG-CD2 4.22Å; F127-L135 HydrophobicContact CZ-CD2 4.32Å; F127-I149 HydrophobicContact CE1-CD1 4.05Å
128	N	95.9	Very high	95.2	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	15%	0.149	C	C	.	.			trans	-68.3	132.1	164.6	-178.3	-53.1	0	0	0	110.2	R130 K131 Q134 Y171 G175 T192	N128-R130 PolarHBondContact O-N 2.82Å; N128-R130 PolarHBondContact OD1-N 2.82Å; N128-K131 HydrophobicContact CB-CB 4.08Å; N128-K131 WeakPolarHBondContact CB-O 3.5Å; N128-K131 PolarHBondContact OD1-N 2.95Å; N128-Q134 HydrophobicContact CB-CB 3.93Å; N128-Q134 WeakPolarHBondContact CB-O 3.23Å; N128-Q134 PolarHBondContact N-O 3.13Å; N128-Y171 HydrophobicContact CB-CD2 4.11Å; N128-Y171 HydrophobicContact CB-CE1 4.43Å; N128-Y171 HydrophobicContact CB-CE2 3.64Å; N128-G175 PolarHBondContact ND2-O 3.25Å; N128-T192 VanDerWaalsContact ND2-CG2 3.32Å; N128-T192 WeakPolarHBondContact ND2-CG2 3.5Å
129	A	89.9	Confident	95.2	Very high	35 Å²	35	28.9 Å²	28.9	29%	0.289	15%	0.15	S	C	.	.	S	Bend	trans	-66.2	-16.4	-173.8	0	0	0	0	0	115.5	R88 R173	R88-A129 WeakPolarHBondContact CD-O 3.28Å; R88-A129 PolarHBondContact NH1-O 2.71Å; A129-R173 WeakPolarHBondContact CB-O 3.28Å
130	R	89.1	Confident	95.1	Very high	88 Å²	88	28.3 Å²	28.3	33%	0.332	14%	0.143	S	C	.	.	S	Bend	trans	-130.5	-16.7	177.6	-67.4	-168.2	-179.3	-150	7.3	114.7	N128 P132 R174 E404 D405	N128-R130 PolarHBondContact O-N 2.82Å; N128-R130 PolarHBondContact OD1-N 2.82Å; R130-P132 WeakPolarHBondContact O-CD 3.35Å; R130-R174 WeakPolarHBondContact CG-O 3.38Å; R130-E404 VanDerWaalsContact CZ-O 3.22Å; R130-E404 PolarHBondContact NH1-O 3.16Å; R130-E404 PolarHBondContact NH2-O 3.12Å; R130-D405 IonicContact CZ-OD1 3.57Å; R130-D405 VanDerWaalsContact CZ-OD1 3.29Å; R130-D405 IonicContact CZ-OD2 2.7Å; R130-D405 IonicContact NE-OD1 3.46Å; R130-D405 PolarHBondContact NE-OD1 3.11Å; R130-D405 IonicContact NH2-OD1 3.37Å; R130-D405 PolarHBondContact NH2-OD1 3.47Å; R130-D405 IonicContact NH2-OD2 2.67Å; R130-D405 PolarHBondContact NH2-OD2 2.76Å
131	K	92.2	Very high	95	Very high	79 Å²	79	34 Å²	34	34%	0.343	17%	0.165	S	C	.	.			trans	-109.1	94.5	176.8	-64.4	175.5	176	-174.6	0	110.8	N128 D133 Q134 T192	N128-K131 HydrophobicContact CB-CB 4.08Å; N128-K131 WeakPolarHBondContact CB-O 3.5Å; N128-K131 PolarHBondContact OD1-N 2.95Å; K131-D133 PolarHBondContact O-N 2.64Å; K131-Q134 HydrophobicContact CB-CB 4.31Å; K131-Q134 HydrophobicContact CB-CG 4.4Å; K131-Q134 HydrophobicContact CD-CG 4.48Å; K131-Q134 PolarHBondContact O-N 3.04Å; K131-Q134 VanDerWaalsContact O-N 3.1Å; K131-T192 PolarHBondContact NZ-O 2.81Å
132	P	90.3	Very high	94.9	Very high	68 Å²	68	34.6 Å²	34.6	44%	0.442	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.2	-173.4	25.3	-35	0	0	0	114.6	R92 R130 I149	R92-P132 PolarHBondContact NH2-O 2.76Å; R130-P132 WeakPolarHBondContact O-CD 3.35Å; P132-I149 VanDerWaalsContact O-CD1 3.24Å; P132-I149 WeakPolarHBondContact O-CD1 3.34Å
133	D	93.5	Very high	94.9	Very high	74 Å²	74	34.8 Å²	34.8	40%	0.396	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	5.9	179.1	-60.3	-44.3	0	0	0	114.7	K131 N148 I149 P150	K131-D133 PolarHBondContact O-N 2.64Å; D133-N148 CarbonylContact O-C 3.58Å; D133-N148 WeakPolarHBondContact O-CA 3.36Å; D133-I149 PolarHBondContact O-N 2.69Å; D133-P150 HydrophobicContact CB-CG 4.36Å
134	Q	96.1	Very high	94.9	Very high	27 Å²	27	31.2 Å²	31.2	13%	0.126	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	123.8	179	-75	-170.9	-26.2	0	0	112.4	N128 K131 V146 T192	N128-Q134 HydrophobicContact CB-CB 3.93Å; N128-Q134 WeakPolarHBondContact CB-O 3.23Å; N128-Q134 PolarHBondContact N-O 3.13Å; K131-Q134 HydrophobicContact CB-CB 4.31Å; K131-Q134 HydrophobicContact CB-CG 4.4Å; K131-Q134 HydrophobicContact CD-CG 4.48Å; K131-Q134 PolarHBondContact O-N 3.04Å; K131-Q134 VanDerWaalsContact O-N 3.1Å; Q134-V146 HydrophobicContact CB-CG1 4.43Å; Q134-V146 HydrophobicContact CG-CG1 4.41Å; Q134-T192 VanDerWaalsContact OE1-CG2 3.25Å
135	L	97.2	Very high	94.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	133.3	172.1	-50.3	179.6	0	0	0	109.3	L94 I104 F116 F127 V146 I147 I149	L94-L135 HydrophobicContact CD1-CD1 3.78Å; L94-L135 HydrophobicContact CD1-CD2 3.95Å; L94-L135 HydrophobicContact CD1-CG 4.45Å; L94-L135 HydrophobicContact CD2-CD2 3.86Å; L94-L135 HydrophobicContact CG-CD2 4.48Å; I104-L135 HydrophobicContact CD1-CD1 4.29Å; I104-L135 HydrophobicContact CG1-CD1 4.48Å; F116-L135 HydrophobicContact CD2-CD1 4.2Å; F116-L135 HydrophobicContact CE2-CD1 3.73Å; F127-L135 HydrophobicContact CD1-CD2 3.49Å; F127-L135 VanDerWaalsContact CD1-CD2 3.49Å; F127-L135 HydrophobicContact CE1-CD2 3.54Å; F127-L135 HydrophobicContact CG-CD2 4.22Å; F127-L135 HydrophobicContact CZ-CD2 4.32Å; L135-V146 CarbonylContact O-C 3.36Å; L135-V146 WeakPolarHBondContact O-CA 3.16Å; L135-I147 HydrophobicContact CB-CB 4.38Å; L135-I147 PolarHBondContact N-O 2.78Å; L135-I147 PolarHBondContact O-N 3.15Å; L135-I149 HydrophobicContact CD1-CD1 4.38Å; L135-I149 HydrophobicContact CD1-CG1 3.99Å; L135-I149 HydrophobicContact CD2-CD1 3.64Å; L135-I149 HydrophobicContact CD2-CG1 4.05Å; L135-I149 HydrophobicContact CG-CD1 3.89Å; L135-I149 HydrophobicContact CG-CG1 3.69Å
136	L	98.2	Very high	94.8	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129	163	173.6	64.4	0	0	0	108.9	V125 Q126 P144 V146 A169 Y171 I178	V125-L136 CarbonylContact C-O 3.5Å; V125-L136 WeakPolarHBondContact CA-O 3.27Å; Q126-L136 HydrophobicContact CB-CB 4.43Å; Q126-L136 PolarHBondContact N-O 3.24Å; Q126-L136 PolarHBondContact O-N 3.44Å; L136-P144 HydrophobicContact CD1-CB 4Å; L136-V146 HydrophobicContact CD1-CG2 4.05Å; L136-A169 HydrophobicContact CD1-CB 4.39Å; L136-A169 HydrophobicContact CD2-CB 4.03Å; L136-Y171 HydrophobicContact CB-CD2 3.97Å; L136-Y171 HydrophobicContact CB-CE2 3.37Å; L136-Y171 HydrophobicContact CD2-CD2 4.32Å; L136-Y171 HydrophobicContact CD2-CE2 4.44Å; L136-Y171 HydrophobicContact CD2-CG 4.49Å; L136-I178 HydrophobicContact CD1-CD1 4.47Å; L136-I178 HydrophobicContact CD1-CG2 4.42Å; L136-I178 HydrophobicContact CD2-CG2 4.25Å
137	V	98	Very high	94.7	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.3	176.5	-175.6	0	0	0	0	108.9	F118 V122 V125 P139 V145	F118-V137 HydrophobicContact CE1-CB 4.29Å; F118-V137 HydrophobicContact CE1-CG1 3.85Å; F118-V137 HydrophobicContact CE2-CG1 4.11Å; F118-V137 HydrophobicContact CE2-CG2 4.33Å; F118-V137 HydrophobicContact CZ-CB 3.88Å; F118-V137 HydrophobicContact CZ-CG1 3.6Å; F118-V137 HydrophobicContact CZ-CG2 3.82Å; V122-V137 HydrophobicContact CB-CG1 4.43Å; V122-V137 HydrophobicContact CG1-CG1 3.61Å; V122-V137 HydrophobicContact CG2-CG1 3.93Å; V125-V137 HydrophobicContact CG1-CG1 4.12Å; V125-V137 HydrophobicContact CG1-CG2 4.13Å; V137-P139 WeakPolarHBondContact O-CD 3.47Å; V137-V145 PolarHBondContact N-O 3.47Å; V137-V145 PolarHBondContact O-N 2.92Å
138	C	96.9	Very high	94.6	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.034	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	97.6	173.8	-56.2	0	0	0	0	108.7	M123 K124	M123-C138 WeakPolarHBondContact CB-O 3.41Å; M123-C138 PolarHBondContact N-O 3.39Å; K124-C138 HydrophobicContact CB-CB 4.09Å; K124-C138 PolarHBondContact N-O 2.76Å; K124-C138 PolarHBondContact O-N 3.27Å
139	P	95.4	Very high	94.5	Very high	4 Å²	4	29.9 Å²	29.9	3%	0.026	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	158.4	174.6	-2.3	20.7	0	0	0	111.1	F118 C120 P121 V137 H142 V145 L484	F118-P139 HydrophobicContact CD1-CG 4.5Å; C120-P139 VanDerWaalsContact SG-CB 3.54Å; P121-P139 CarbonylContact O-C 3.55Å; P121-P139 WeakPolarHBondContact O-CA 3.37Å; V137-P139 WeakPolarHBondContact O-CD 3.47Å; P139-H142 HydrophobicContact CB-CB 3.95Å; P139-H142 HydrophobicContact CG-CB 4.07Å; P139-V145 HydrophobicContact CG-CG2 4.02Å; P139-L484 HydrophobicContact CG-CD1 4.02Å
140	M	93.2	Very high	94.6	Very high	34 Å²	34	32.9 Å²	32.9	17%	0.167	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	130.9	176.4	-164.5	163.7	71.5	0	0	109.9	P121 M123 H142 E491 P494	P121-M140 HydrophobicContact CB-CB 4.19Å; P121-M140 HydrophobicContact CB-CE 4.22Å; P121-M140 HydrophobicContact CG-CE 3.97Å; P121-M140 PolarHBondContact O-N 2.79Å; M123-M140 HydrophobicContact CG-CB 3.79Å; M123-M140 HydrophobicContact CG-CG 4.24Å; M123-M140 HydrophobicContact SD-CB 3.91Å; M123-M140 HydrophobicContact SD-CG 4.04Å; M123-M140 HydrophobicContact SD-SD 3.73Å; M140-H142 VanDerWaalsContact C-N 3.27Å; M140-H142 PolarHBondContact O-N 2.94Å; M140-E491 HydrophobicContact CE-CB 3.71Å; M140-E491 HydrophobicContact CE-CG 4.41Å; M140-P494 HydrophobicContact SD-CG 3.84Å
141	R	90.2	Very high	94.7	Very high	119 Å²	119	32.3 Å²	32.3	45%	0.449	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	45	-175.4	-61.2	-161.4	-165.3	130.3	25.3	113.8	L165 Q488 E491	R141-L165 CarbonylContact C-O 3.57Å; R141-L165 VanDerWaalsContact CA-O 3.3Å; R141-L165 WeakPolarHBondContact CA-O 3.4Å; R141-L165 HydrophobicContact CB-CB 4.32Å; R141-Q488 VanDerWaalsContact NH1-OE1 3.09Å; R141-E491 WeakPolarHBondContact CD-OE2 3.21Å; R141-E491 IonicContact CZ-OE1 2.81Å; R141-E491 IonicContact CZ-OE2 2.76Å; R141-E491 IonicContact NE-OE1 2.65Å; R141-E491 IonicContact NE-OE2 2.62Å; R141-E491 PolarHBondContact NE-OE2 2.94Å; R141-E491 IonicContact NH1-OE1 3.29Å; R141-E491 PolarHBondContact NH1-OE1 3.26Å; R141-E491 IonicContact NH1-OE2 3.98Å; R141-E491 PolarHBondContact NH1-OE2 3.46Å; R141-E491 IonicContact NH2-OE1 2.92Å; R141-E491 PolarHBondContact NH2-OE1 2.59Å; R141-E491 IonicContact NH2-OE2 3.8Å; R141-E491 PolarHBondContact NH2-OE2 3.26Å
142	H	93.9	Very high	94.6	Very high	12 Å²	12	28.8 Å²	28.8	6%	0.056	16%	0.16	C	C	.	.	S	Bend	trans	-145.9	158.3	172	-166.5	-87.9	0	0	0	109.9	P139 M140 L165 P485	P139-H142 HydrophobicContact CB-CB 3.95Å; P139-H142 HydrophobicContact CG-CB 4.07Å; M140-H142 VanDerWaalsContact C-N 3.27Å; M140-H142 PolarHBondContact O-N 2.94Å; H142-L165 PolarHBondContact N-O 3.4Å; H142-P485 PolarHBondContact NE2-O 2.92Å
143	A	94.7	Very high	94.6	Very high	5 Å²	5	27.7 Å²	27.7	4%	0.041	16%	0.157	C	C	.	.			trans	-59.4	149.1	168.6	0	0	0	0	0	111.7	I156 P159	A143-I156 HydrophobicContact CB-CG2 3.6Å; A143-P159 HydrophobicContact CB-CG 4.2Å
144	P	96.2	Very high	94.7	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.013	15%	0.154	C	C	.	.			trans	-59.5	145.1	174.9	-21.2	33.1	0	0	0	111.8	L136 V157 I167 A169 T180	L136-P144 HydrophobicContact CD1-CB 4Å; P144-V157 HydrophobicContact CB-CB 4.39Å; P144-V157 PolarHBondContact O-N 2.9Å; P144-I167 HydrophobicContact CG-CB 4.36Å; P144-I167 HydrophobicContact CG-CG2 3.6Å; P144-A169 HydrophobicContact CB-CB 3.93Å; P144-A169 HydrophobicContact CG-CB 3.73Å; P144-T180 HydrophobicContact CG-CG2 4.1Å
145	V	96.7	Very high	94.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.7	-176	-173.5	0	0	0	0	109	V137 P139 I147 P154 T155 I156 L484	V137-V145 PolarHBondContact N-O 3.47Å; V137-V145 PolarHBondContact O-N 2.92Å; P139-V145 HydrophobicContact CG-CG2 4.02Å; V145-I147 HydrophobicContact CG1-CG1 4.41Å; V145-P154 HydrophobicContact CG1-CB 3.63Å; V145-T155 WeakPolarHBondContact CA-O 3.28Å; V145-I156 HydrophobicContact CG2-CG1 4.44Å; V145-L484 HydrophobicContact CG1-CD2 4.22Å; V145-L484 HydrophobicContact CG2-CD1 4.04Å; V145-L484 HydrophobicContact CG2-CD2 3.79Å
146	V	97.6	Very high	94.6	Very high	3 Å²	3	30 Å²	30	2%	0.018	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	122.9	169.8	177.3	0	0	0	0	108.9	Q134 L135 L136 T155 V157 I178 F195	Q134-V146 HydrophobicContact CB-CG1 4.43Å; Q134-V146 HydrophobicContact CG-CG1 4.41Å; L135-V146 CarbonylContact O-C 3.36Å; L135-V146 WeakPolarHBondContact O-CA 3.16Å; L136-V146 HydrophobicContact CD1-CG2 4.05Å; V146-T155 PolarHBondContact N-O 3.31Å; V146-T155 PolarHBondContact O-N 3.47Å; V146-V157 HydrophobicContact CG2-CG2 4.04Å; V146-I178 HydrophobicContact CG2-CD1 3.56Å; V146-F195 HydrophobicContact CB-CE1 4.03Å; V146-F195 HydrophobicContact CB-CZ 4.09Å; V146-F195 HydrophobicContact CG1-CE1 4.12Å; V146-F195 HydrophobicContact CG1-CZ 3.92Å; V146-F195 HydrophobicContact CG2-CD1 4.45Å; V146-F195 HydrophobicContact CG2-CE1 3.77Å; V146-F195 HydrophobicContact CG2-CZ 4.34Å
147	I	96.8	Very high	94.4	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.3	173.4	-70.5	177.3	0	0	0	109	F116 F118 L135 V145 P154 I482	F116-I147 HydrophobicContact CB-CD1 4.26Å; F116-I147 HydrophobicContact CD1-CD1 4.09Å; F116-I147 HydrophobicContact CD1-CG2 4.31Å; F116-I147 HydrophobicContact CD2-CD1 4.5Å; F116-I147 HydrophobicContact CE1-CG2 3.81Å; F116-I147 HydrophobicContact CE2-CG2 4.3Å; F116-I147 HydrophobicContact CG-CD1 4.02Å; F116-I147 HydrophobicContact CZ-CG2 3.79Å; F118-I147 HydrophobicContact CE2-CD1 3.97Å; F118-I147 HydrophobicContact CZ-CD1 3.51Å; L135-I147 HydrophobicContact CB-CB 4.38Å; L135-I147 PolarHBondContact N-O 2.78Å; L135-I147 PolarHBondContact O-N 3.15Å; V145-I147 HydrophobicContact CG1-CG1 4.41Å; I147-P154 HydrophobicContact CG1-CB 4.49Å; I147-I482 HydrophobicContact CD1-CD1 3.67Å; I147-I482 HydrophobicContact CD1-CG1 3.89Å; I147-I482 HydrophobicContact CG1-CD1 4.38Å
148	N	94.8	Very high	94.1	Very high	60 Å²	60	35.8 Å²	35.8	32%	0.321	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	119.5	162.6	171	-95.4	0	0	0	109.3	D133 P150 S151 G152 A153	D133-N148 CarbonylContact O-C 3.58Å; D133-N148 WeakPolarHBondContact O-CA 3.36Å; N148-P150 WeakPolarHBondContact OD1-CD 3.42Å; N148-S151 PolarHBondContact O-N 2.92Å; N148-S151 PolarHBondContact O-OG 3.02Å; N148-S151 WeakPolarHBondContact OD1-CB 3.28Å; N148-S151 PolarHBondContact OD1-N 2.97Å; N148-S151 VanDerWaalsContact OD1-N 3.14Å; N148-S151 PolarHBondContact OD1-OG 3.02Å; N148-G152 WeakPolarHBondContact O-CA 3.27Å; N148-G152 PolarHBondContact O-N 3.05Å; N148-A153 PolarHBondContact N-O 2.92Å
149	I	94.1	Very high	93.7	Very high	11 Å²	11	36.7 Å²	36.7	6%	0.056	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-52	-170.5	-58.1	172.8	0	0	0	112.2	I104 Q114 F127 P132 D133 L135 S151 G152	I104-I149 HydrophobicContact CD1-CB 4.44Å; I104-I149 HydrophobicContact CD1-CD1 3.81Å; I104-I149 HydrophobicContact CD1-CG1 4.03Å; I104-I149 HydrophobicContact CD1-CG2 3.55Å; Q114-I149 PolarHBondContact NE2-O 3.28Å; Q114-I149 PolarHBondContact OE1-O 2.73Å; F127-I149 HydrophobicContact CE1-CD1 4.05Å; P132-I149 VanDerWaalsContact O-CD1 3.24Å; P132-I149 WeakPolarHBondContact O-CD1 3.34Å; D133-I149 PolarHBondContact O-N 2.69Å; L135-I149 HydrophobicContact CD1-CD1 4.38Å; L135-I149 HydrophobicContact CD1-CG1 3.99Å; L135-I149 HydrophobicContact CD2-CD1 3.64Å; L135-I149 HydrophobicContact CD2-CG1 4.05Å; L135-I149 HydrophobicContact CG-CD1 3.89Å; L135-I149 HydrophobicContact CG-CG1 3.69Å; I149-S151 VanDerWaalsContact C-N 3.32Å; I149-S151 PolarHBondContact O-N 3.42Å; I149-G152 PolarHBondContact O-N 3.2Å
150	P	92	Very high	93.2	Very high	99 Å²	99	41.5 Å²	41.5	64%	0.643	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-31	-176.6	-25.3	36.2	0	0	0	115.2	D133 N148	D133-P150 HydrophobicContact CB-CG 4.36Å; N148-P150 WeakPolarHBondContact OD1-CD 3.42Å
151	S	91.1	Very high	92.8	Very high	75 Å²	75	42.2 Å²	42.2	52%	0.524	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-19.6	178.7	62.6	0	0	0	0	114	N148 I149 A153	N148-S151 PolarHBondContact O-N 2.92Å; N148-S151 PolarHBondContact O-OG 3.02Å; N148-S151 WeakPolarHBondContact OD1-CB 3.28Å; N148-S151 PolarHBondContact OD1-N 2.97Å; N148-S151 VanDerWaalsContact OD1-N 3.14Å; N148-S151 PolarHBondContact OD1-OG 3.02Å; I149-S151 VanDerWaalsContact C-N 3.32Å; I149-S151 PolarHBondContact O-N 3.42Å; S151-A153 PolarHBondContact O-N 2.71Å; S151-A153 WeakPolarHBondContact OG-CB 3.49Å; S151-A153 PolarHBondContact OG-N 2.81Å
152	G	89.1	Confident	92.4	Very high	5 Å²	5	43.7 Å²	43.7	5%	0.052	25%	0.246	C	C	.	.			trans	63.2	8.7	-167.6	0	0	0	0	0	114.7	N148 I149 P154 I482	N148-G152 WeakPolarHBondContact O-CA 3.27Å; N148-G152 PolarHBondContact O-N 3.05Å; I149-G152 PolarHBondContact O-N 3.2Å; G152-P154 WeakPolarHBondContact O-CD 3.28Å; G152-I482 WeakPolarHBondContact O-CD1 3.14Å
153	A	91	Very high	91.9	Very high	45 Å²	45	49.9 Å²	49.9	37%	0.372	28%	0.28	S	S	.	.			trans	-74	126.1	-174.1	0	0	0	0	0	111.5	N148 S151	N148-A153 PolarHBondContact N-O 2.92Å; S151-A153 PolarHBondContact O-N 2.71Å; S151-A153 WeakPolarHBondContact OG-CB 3.49Å; S151-A153 PolarHBondContact OG-N 2.81Å
154	P	94.9	Very high	91.5	Very high	50 Å²	50	49.9 Å²	49.9	33%	0.325	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	128.3	173.9	33.3	-33	0	0	0	111.4	V145 I147 G152 I482 L484	V145-P154 HydrophobicContact CG1-CB 3.63Å; I147-P154 HydrophobicContact CG1-CB 4.49Å; G152-P154 WeakPolarHBondContact O-CD 3.28Å; P154-I482 HydrophobicContact CB-CG2 3.96Å; P154-I482 HydrophobicContact CG-CG2 4.12Å; P154-L484 HydrophobicContact CB-CD2 4.46Å
155	T	95.8	Very high	90.9	Very high	61 Å²	61	52.6 Å²	52.6	37%	0.374	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121.6	168.7	-56.2	0	0	0	0	109.2	V145 V146 F195	V145-T155 WeakPolarHBondContact CA-O 3.28Å; V146-T155 PolarHBondContact N-O 3.31Å; V146-T155 PolarHBondContact O-N 3.47Å; T155-F195 HydrophobicContact CG2-CD2 3.51Å; T155-F195 HydrophobicContact CG2-CE2 3.69Å; T155-F195 HydrophobicContact CG2-CG 4.24Å
156	I	95.3	Very high	90.4	Very high	40 Å²	40	55.8 Å²	55.8	21%	0.205	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	123.7	-178.7	-60.8	170	0	0	0	109.1	A143 V145 Q158	A143-I156 HydrophobicContact CB-CG2 3.6Å; V145-I156 HydrophobicContact CG2-CG1 4.44Å; I156-Q158 PolarHBondContact O-N 3.03Å; I156-Q158 VanDerWaalsContact O-N 3.17Å
157	V	94.8	Very high	90.2	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.006	32%	0.318	C	S	.	.			trans	-78	98.8	173.5	-176.5	0	0	0	0	107.5	P144 V146 I178 Y190 F195	P144-V157 HydrophobicContact CB-CB 4.39Å; P144-V157 PolarHBondContact O-N 2.9Å; V146-V157 HydrophobicContact CG2-CG2 4.04Å; V157-I178 HydrophobicContact CG2-CD1 3.94Å; V157-Y190 HydrophobicContact CG1-CD1 3.84Å; V157-Y190 HydrophobicContact CG1-CD2 3.78Å; V157-Y190 HydrophobicContact CG1-CE1 4.07Å; V157-Y190 HydrophobicContact CG1-CE2 4.04Å; V157-Y190 HydrophobicContact CG1-CG 3.7Å; V157-F195 HydrophobicContact CG2-CD1 4.15Å
158	Q	90.9	Very high	90.2	Very high	121 Å²	121	58 Å²	58	57%	0.565	33%	0.328	S	S	*	.			trans	-65.4	123.1	-169.6	-62.7	-62.8	-2.1	0	0	111.5	I156 Y190	I156-Q158 PolarHBondContact O-N 3.03Å; I156-Q158 VanDerWaalsContact O-N 3.17Å; Q158-Y190 VanDerWaalsContact O-CE1 3.3Å; Q158-Y190 WeakPolarHBondContact O-CE1 3.31Å; Q158-Y190 PolarHBondContact O-OH 2.84Å; Q158-Y190 VanDerWaalsContact O-OH 3.14Å
159	P	88.3	Confident	90.3	Very high	23 Å²	23	55.2 Å²	55.2	15%	0.149	31%	0.314	C	S	.	.			trans	-76.2	145.3	178	32.2	-33.6	0	0	0	110.7	A143 D161 I167	A143-P159 HydrophobicContact CB-CG 4.2Å; P159-D161 PolarHBondContact O-N 2.95Å; P159-I167 HydrophobicContact CB-CD1 3.64Å; P159-I167 HydrophobicContact CG-CD1 4.01Å
160	E	85.4	Confident	90.5	Very high	106 Å²	106	54.9 Å²	54.9	50%	0.495	31%	0.313	S	S	.	.	S	Bend	trans	-63.4	-22.4	175.8	-164.9	-165.1	144.2	0	0	113.5	K186 C188	E160-K186 IonicContact OE1-NZ 3.08Å; E160-K186 PolarHBondContact OE1-NZ 2.85Å; E160-K186 WeakPolarHBondContact OE2-CE 3.44Å; E160-K186 IonicContact OE2-NZ 2.66Å; E160-K186 PolarHBondContact OE2-NZ 2.83Å; E160-C188 PolarHBondContact OE2-SG 2.79Å; E160-C188 VanDerWaalsContact OE2-SG 3.38Å
161	D	84.8	Confident	90.8	Very high	48 Å²	48	50.2 Å²	50.2	26%	0.257	28%	0.282	S	S	.	.			trans	-130.1	94.6	175.9	-177	-5.8	0	0	0	109.5	P159 N163 D164 K184	P159-D161 PolarHBondContact O-N 2.95Å; D161-N163 PolarHBondContact O-N 3.1Å; D161-N163 VanDerWaalsContact OD1-CB 3.32Å; D161-N163 WeakPolarHBondContact OD1-CB 3.37Å; D161-N163 PolarHBondContact OD1-N 2.94Å; D161-N163 VanDerWaalsContact OD1-N 3.16Å; D161-N163 PolarHBondContact OD1-ND2 3.06Å; D161-D164 PolarHBondContact O-N 3.22Å; D161-K184 IonicContact OD1-NZ 3.96Å; D161-K184 IonicContact OD2-NZ 3.05Å; D161-K184 PolarHBondContact OD2-NZ 2.87Å
162	E	81.8	Confident	91	Very high	150 Å²	150	46.9 Å²	46.9	70%	0.701	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-18.7	-179.4	-60.3	-178.9	165.7	0	0	113.7	L165	E162-L165 WeakPolarHBondContact O-CD2 3.43Å
163	N	84.7	Confident	91.1	Very high	142 Å²	142	48.1 Å²	48.1	76%	0.759	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-22.3	179.5	-49.5	-91.8	0	0	0	113	D161 L165	D161-N163 PolarHBondContact O-N 3.1Å; D161-N163 VanDerWaalsContact OD1-CB 3.32Å; D161-N163 WeakPolarHBondContact OD1-CB 3.37Å; D161-N163 PolarHBondContact OD1-N 2.94Å; D161-N163 VanDerWaalsContact OD1-N 3.16Å; D161-N163 PolarHBondContact OD1-ND2 3.06Å; N163-L165 PolarHBondContact O-N 2.83Å
164	D	85.1	Confident	91.1	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.027	25%	0.249	C	C	.	.			trans	-97.5	69.9	-178.8	-166	-5.7	0	0	0	111	D161 S166 I167 N182 S183 K184	D161-D164 PolarHBondContact O-N 3.22Å; D164-S166 PolarHBondContact O-N 2.92Å; D164-S166 VanDerWaalsContact O-N 3.08Å; D164-I167 WeakPolarHBondContact O-CD1 3.28Å; D164-I167 VanDerWaalsContact O-CG1 3.22Å; D164-I167 WeakPolarHBondContact O-CG1 3.26Å; D164-N182 HydrophobicContact CB-CB 4.41Å; D164-N182 VanDerWaalsContact OD2-CB 3.26Å; D164-N182 WeakPolarHBondContact OD2-CB 3.48Å; D164-N182 PolarHBondContact OD2-ND2 3.35Å; D164-S183 WeakPolarHBondContact OD1-CB 3.46Å; D164-S183 PolarHBondContact OD1-N 2.67Å; D164-S183 PolarHBondContact OD1-OG 2.94Å; D164-S183 PolarHBondContact OD2-N 2.8Å; D164-S183 PolarHBondContact OD2-OG 2.83Å; D164-K184 HydrophobicContact CB-CD 4.38Å; D164-K184 WeakPolarHBondContact OD2-CG 3.46Å; D164-K184 PolarHBondContact OD2-N 2.85Å
165	L	83.9	Confident	91	Very high	59 Å²	59	45.1 Å²	45.1	31%	0.309	24%	0.235	S	C	.	.			trans	-68	-1.1	-179.8	-60	175.2	0	0	0	114.4	R141 H142 E162 N163 I167	R141-L165 CarbonylContact C-O 3.57Å; R141-L165 VanDerWaalsContact CA-O 3.3Å; R141-L165 WeakPolarHBondContact CA-O 3.4Å; R141-L165 HydrophobicContact CB-CB 4.32Å; H142-L165 PolarHBondContact N-O 3.4Å; E162-L165 WeakPolarHBondContact O-CD2 3.43Å; N163-L165 PolarHBondContact O-N 2.83Å; L165-I167 VanDerWaalsContact C-N 3.28Å; L165-I167 PolarHBondContact O-N 2.88Å; L165-I167 VanDerWaalsContact O-N 3.13Å
166	S	86.7	Confident	90.9	Very high	67 Å²	67	47 Å²	47	47%	0.469	24%	0.235	S	C	.	.			trans	-88.2	61.1	-179.4	175.1	0	0	0	0	110.9	D164	D164-S166 PolarHBondContact O-N 2.92Å; D164-S166 VanDerWaalsContact O-N 3.08Å
167	I	92.6	Very high	91	Very high	12 Å²	12	47.1 Å²	47.1	6%	0.062	23%	0.234	C	C	.	.			trans	-100.6	128.9	-172	-57.8	148.7	0	0	0	110.6	P144 P159 D164 L165 T180 G181 N182	P144-I167 HydrophobicContact CG-CB 4.36Å; P144-I167 HydrophobicContact CG-CG2 3.6Å; P159-I167 HydrophobicContact CB-CD1 3.64Å; P159-I167 HydrophobicContact CG-CD1 4.01Å; D164-I167 WeakPolarHBondContact O-CD1 3.28Å; D164-I167 VanDerWaalsContact O-CG1 3.22Å; D164-I167 WeakPolarHBondContact O-CG1 3.26Å; L165-I167 VanDerWaalsContact C-N 3.28Å; L165-I167 PolarHBondContact O-N 2.88Å; L165-I167 VanDerWaalsContact O-N 3.13Å; I167-T180 HydrophobicContact CG2-CG2 4.37Å; I167-G181 WeakPolarHBondContact CA-O 3.49Å; I167-N182 HydrophobicContact CG1-CB 4.45Å
168	V	96.9	Very high	91.2	Very high	37 Å²	37	47 Å²	47	22%	0.224	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	148.2	163.6	-60.5	0	0	0	0	109.6	T180 G181 I211 I214	V168-T180 CarbonylContact O-C 3.23Å; V168-T180 VanDerWaalsContact O-CA 3.28Å; V168-T180 WeakPolarHBondContact O-CA 3.33Å; V168-G181 PolarHBondContact N-O 3.26Å; V168-G181 PolarHBondContact O-N 3.23Å; V168-I211 HydrophobicContact CG2-CB 4.39Å; V168-I211 HydrophobicContact CG2-CG2 3.8Å; V168-I214 HydrophobicContact CG2-CG1 4.24Å
169	A	98	Very high	91.5	Very high	2 Å²	2	41.3 Å²	41.3	2%	0.017	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	161.6	177.5	0	0	0	0	0	113.3	K124 L136 P144 I178 Y179 T180	K124-A169 PolarHBondContact NZ-O 3Å; L136-A169 HydrophobicContact CD1-CB 4.39Å; L136-A169 HydrophobicContact CD2-CB 4.03Å; P144-A169 HydrophobicContact CB-CB 3.93Å; P144-A169 HydrophobicContact CG-CB 3.73Å; A169-I178 HydrophobicContact CB-CG2 4.18Å; A169-Y179 CarbonylContact C-O 3.57Å; A169-Y179 VanDerWaalsContact CA-O 3.27Å; A169-Y179 WeakPolarHBondContact CA-O 3.4Å; A169-T180 HydrophobicContact CB-CG2 4.01Å
170	S	98.3	Very high	92	Very high	5 Å²	5	40.7 Å²	40.7	4%	0.035	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	147.1	169.8	-165.9	0	0	0	0	110	K124 Q126 Y179	K124-S170 VanDerWaalsContact NZ-CB 3.32Å; K124-S170 PolarHBondContact NZ-OG 3.28Å; Q126-S170 PolarHBondContact OE1-OG 3.24Å; Q126-S170 VanDerWaalsContact OE1-OG 3.1Å; S170-Y179 PolarHBondContact N-O 3.15Å; S170-Y179 PolarHBondContact O-N 3.06Å
171	Y	97.4	Very high	92.5	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	150.4	155.3	-70.6	-60.4	0	0	0	110	Q126 N128 L136 Y177 I178 T192 F216	Q126-Y171 HydrophobicContact CG-CD2 4.27Å; Q126-Y171 VanDerWaalsContact OE1-N 3.1Å; N128-Y171 HydrophobicContact CB-CD2 4.11Å; N128-Y171 HydrophobicContact CB-CE1 4.43Å; N128-Y171 HydrophobicContact CB-CE2 3.64Å; L136-Y171 HydrophobicContact CB-CD2 3.97Å; L136-Y171 HydrophobicContact CB-CE2 3.37Å; L136-Y171 HydrophobicContact CD2-CD2 4.32Å; L136-Y171 HydrophobicContact CD2-CE2 4.44Å; L136-Y171 HydrophobicContact CD2-CG 4.49Å; Y171-Y177 WeakPolarHBondContact CA-O 3.48Å; Y171-I178 HydrophobicContact CD1-CD1 4.46Å; Y171-I178 HydrophobicContact CD1-CG1 3.64Å; Y171-I178 HydrophobicContact CE1-CD1 3.81Å; Y171-I178 HydrophobicContact CE1-CG1 3.47Å; Y171-I178 VanDerWaalsContact CE1-CG1 3.47Å; Y171-T192 HydrophobicContact CD1-CG2 4.28Å; Y171-T192 HydrophobicContact CE1-CG2 3.54Å; Y171-F216 WeakPolarHBondContact O-CD2 3.37Å; Y171-F216 WeakPolarHBondContact O-CE2 3.35Å
172	D	95.2	Very high	93	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.027	17%	0.171	C	C	.	.			trans	-65.6	171.4	162	77.8	-62.6	0	0	0	111.7	R174 G175 R176 Y177 Y179 F216	D172-R174 PolarHBondContact O-N 3.12Å; D172-R174 WeakPolarHBondContact OD2-CA 3.32Å; D172-R174 WeakPolarHBondContact OD2-CB 3.39Å; D172-R174 PolarHBondContact OD2-N 2.89Å; D172-G175 PolarHBondContact O-N 3.03Å; D172-G175 VanDerWaalsContact O-N 3.15Å; D172-G175 VanDerWaalsContact OD1-C 3.29Å; D172-G175 VanDerWaalsContact OD1-CA 3.28Å; D172-G175 WeakPolarHBondContact OD1-CA 3.31Å; D172-G175 PolarHBondContact OD1-N 3.13Å; D172-R176 PolarHBondContact OD1-N 3.08Å; D172-Y177 PolarHBondContact N-O 3.01Å; D172-Y177 PolarHBondContact OD1-N 3.03Å; D172-Y177 VanDerWaalsContact OD1-O 3.14Å; D172-Y179 HydrophobicContact CB-CD2 4.49Å; D172-Y179 HydrophobicContact CB-CE2 4.23Å; D172-F216 HydrophobicContact CB-CD1 4.22Å; D172-F216 HydrophobicContact CB-CE1 3.81Å; D172-F216 HydrophobicContact CB-CZ 4.07Å
173	R	91.2	Very high	93.6	Very high	31 Å²	31	29.3 Å²	29.3	12%	0.117	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.6	-35.3	176.5	-175.4	-179.1	65	79.4	-12.3	113.4	A129 R218 E221 S401 D405	A129-R173 WeakPolarHBondContact CB-O 3.28Å; R173-R218 WeakPolarHBondContact CD-O 3.37Å; R173-E221 IonicContact CZ-OE1 3.99Å; R173-E221 VanDerWaalsContact CZ-OE1 3.27Å; R173-E221 IonicContact NE-OE1 2.89Å; R173-E221 PolarHBondContact NE-OE1 3.02Å; R173-E221 VanDerWaalsContact NE-OE1 3.08Å; R173-E221 IonicContact NH2-OE1 3.02Å; R173-E221 PolarHBondContact NH2-OE1 3.46Å; R173-S401 PolarHBondContact NH1-O 2.9Å; R173-S401 VanDerWaalsContact NH1-O 3.07Å; R173-S401 PolarHBondContact NH1-OG 2.84Å; R173-D405 IonicContact NH1-OD2 3.11Å
174	R	90.5	Very high	94	Very high	28 Å²	28	26.3 Å²	26.3	11%	0.106	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-4.6	-173.1	-58.3	-178	59.6	153.6	-1.5	114.7	R130 D172 R176 E404	R130-R174 WeakPolarHBondContact CG-O 3.38Å; D172-R174 PolarHBondContact O-N 3.12Å; D172-R174 WeakPolarHBondContact OD2-CA 3.32Å; D172-R174 WeakPolarHBondContact OD2-CB 3.39Å; D172-R174 PolarHBondContact OD2-N 2.89Å; R174-R176 HydrophobicContact CB-CG 4.03Å; R174-R176 PolarHBondContact O-N 2.89Å; R174-E404 IonicContact CZ-OE2 2.78Å; R174-E404 IonicContact NH1-OE2 3.91Å; R174-E404 PolarHBondContact NH1-OE2 3.31Å; R174-E404 IonicContact NH2-OE2 2.73Å; R174-E404 PolarHBondContact NH2-OE2 3.14Å
175	G	93.3	Very high	94.4	Very high	3 Å²	3	26.1 Å²	26.1	3%	0.031	13%	0.132	C	C	.	.	S	Bend	trans	67.2	19.1	-175.2	0	0	0	0	0	114.7	N128 D172 T192	N128-G175 PolarHBondContact ND2-O 3.25Å; D172-G175 PolarHBondContact O-N 3.03Å; D172-G175 VanDerWaalsContact O-N 3.15Å; D172-G175 VanDerWaalsContact OD1-C 3.29Å; D172-G175 VanDerWaalsContact OD1-CA 3.28Å; D172-G175 WeakPolarHBondContact OD1-CA 3.31Å; D172-G175 PolarHBondContact OD1-N 3.13Å; G175-T192 WeakPolarHBondContact O-CB 3.43Å; G175-T192 WeakPolarHBondContact O-CG2 3.18Å; G175-T192 PolarHBondContact O-OG1 2.99Å
176	R	94	Very high	94.9	Very high	100 Å²	100	25.8 Å²	25.8	38%	0.377	13%	0.128	S	C	.	.	S	Bend	trans	-79.5	-31.3	174.5	-65.6	-169.6	-62.6	-175.7	1.7	112.3	D172 R174 T192	D172-R176 PolarHBondContact OD1-N 3.08Å; R174-R176 HydrophobicContact CB-CG 4.03Å; R174-R176 PolarHBondContact O-N 2.89Å; R176-T192 VanDerWaalsContact O-CB 3.31Å; R176-T192 WeakPolarHBondContact O-CB 3.35Å; R176-T192 PolarHBondContact O-N 3.07Å; R176-T192 PolarHBondContact O-OG1 2.86Å; R176-T192 VanDerWaalsContact O-OG1 3.1Å
177	Y	97.3	Very high	95.3	Very high	43 Å²	43	22.6 Å²	22.6	17%	0.169	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	149.1	-171.8	-53.9	-59.1	0	0	0	111.8	Y171 D172 I189 Y190 E191 T192 I198 L241	Y171-Y177 WeakPolarHBondContact CA-O 3.48Å; D172-Y177 PolarHBondContact N-O 3.01Å; D172-Y177 PolarHBondContact OD1-N 3.03Å; D172-Y177 VanDerWaalsContact OD1-O 3.14Å; Y177-I189 HydrophobicContact CG-CG2 4.37Å; Y177-Y190 CarbonylContact C-O 3.53Å; Y177-Y190 VanDerWaalsContact CA-O 3.25Å; Y177-Y190 WeakPolarHBondContact CA-O 3.44Å; Y177-E191 HydrophobicContact CD1-CG 4.34Å; Y177-E191 HydrophobicContact CE1-CG 4.22Å; Y177-T192 WeakPolarHBondContact CA-OG1 3.15Å; Y177-T192 PolarHBondContact N-OG1 2.62Å; Y177-I198 HydrophobicContact CD1-CD1 3.37Å; Y177-I198 HydrophobicContact CE1-CD1 3.28Å; Y177-L241 HydrophobicContact CD1-CD2 4.33Å; Y177-L241 HydrophobicContact CD2-CD1 4.18Å; Y177-L241 HydrophobicContact CD2-CD2 4.04Å; Y177-L241 HydrophobicContact CE1-CD2 4.24Å; Y177-L241 HydrophobicContact CE2-CD1 3.67Å; Y177-L241 HydrophobicContact CE2-CD2 3.91Å; Y177-L241 HydrophobicContact CE2-CG 4.45Å; Y177-L241 HydrophobicContact CG-CD2 4.25Å
178	I	98.1	Very high	95.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.2	168.4	-60.7	170.4	0	0	0	107.4	L136 V146 V157 A169 Y171 T180 I189 Y190 F195	L136-I178 HydrophobicContact CD1-CD1 4.47Å; L136-I178 HydrophobicContact CD1-CG2 4.42Å; L136-I178 HydrophobicContact CD2-CG2 4.25Å; V146-I178 HydrophobicContact CG2-CD1 3.56Å; V157-I178 HydrophobicContact CG2-CD1 3.94Å; A169-I178 HydrophobicContact CB-CG2 4.18Å; Y171-I178 HydrophobicContact CD1-CD1 4.46Å; Y171-I178 HydrophobicContact CD1-CG1 3.64Å; Y171-I178 HydrophobicContact CE1-CD1 3.81Å; Y171-I178 HydrophobicContact CE1-CG1 3.47Å; Y171-I178 VanDerWaalsContact CE1-CG1 3.47Å; I178-T180 HydrophobicContact CG2-CG2 4Å; I178-I189 WeakPolarHBondContact O-CA 3.44Å; I178-Y190 PolarHBondContact N-O 3.29Å; I178-Y190 PolarHBondContact O-N 3.36Å; I178-F195 HydrophobicContact CD1-CD1 4.04Å; I178-F195 HydrophobicContact CD1-CE1 3.98Å
179	Y	98.2	Very high	95.5	Very high	1 Å²	1	20.6 Å²	20.6	0%	0.004	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	125.3	171.3	-76.5	-124.5	0	0	0	107.8	A169 S170 D172 V187 I189 F216 F223 C237 A240	A169-Y179 CarbonylContact C-O 3.57Å; A169-Y179 VanDerWaalsContact CA-O 3.27Å; A169-Y179 WeakPolarHBondContact CA-O 3.4Å; S170-Y179 PolarHBondContact N-O 3.15Å; S170-Y179 PolarHBondContact O-N 3.06Å; D172-Y179 HydrophobicContact CB-CD2 4.49Å; D172-Y179 HydrophobicContact CB-CE2 4.23Å; Y179-V187 HydrophobicContact CD1-CG1 4.29Å; Y179-I189 HydrophobicContact CD1-CD1 3.97Å; Y179-I189 HydrophobicContact CD1-CG1 3.75Å; Y179-I189 HydrophobicContact CD2-CG1 4.36Å; Y179-I189 HydrophobicContact CD2-CG2 3.87Å; Y179-I189 HydrophobicContact CE1-CD1 3.41Å; Y179-I189 VanDerWaalsContact CE1-CD1 3.41Å; Y179-I189 HydrophobicContact CE1-CG1 3.73Å; Y179-I189 HydrophobicContact CE2-CD1 4.36Å; Y179-I189 HydrophobicContact CE2-CG1 4.34Å; Y179-I189 HydrophobicContact CE2-CG2 3.66Å; Y179-I189 HydrophobicContact CG-CG1 4.07Å; Y179-I189 HydrophobicContact CG-CG2 4.39Å; Y179-F216 AromaticContact CD1-CZ 3.93Å; Y179-F216 HydrophobicContact CD1-CZ 3.93Å; Y179-F216 HydrophobicContact CD2-CE1 4.32Å; Y179-F216 HydrophobicContact CD2-CE2 4.4Å; Y179-F216 AromaticContact CD2-CZ 3.54Å; Y179-F216 HydrophobicContact CD2-CZ 3.54Å; Y179-F216 HydrophobicContact CE1-CZ 4.2Å; Y179-F216 HydrophobicContact CE2-CE1 4.16Å; Y179-F216 AromaticContact CE2-CZ 3.83Å; Y179-F216 HydrophobicContact CE2-CZ 3.83Å; Y179-F216 HydrophobicContact CG-CE2 4.31Å; Y179-F216 AromaticContact CG-CZ 3.6Å; Y179-F216 HydrophobicContact CG-CZ 3.6Å; Y179-F223 HydrophobicContact CD1-CE1 4.37Å; Y179-F223 HydrophobicContact CD1-CE2 4.24Å; Y179-F223 HydrophobicContact CD1-CZ 4.12Å; Y179-F223 HydrophobicContact CE1-CD1 4.13Å; Y179-F223 AromaticContact CE1-CE1 3.66Å; Y179-F223 HydrophobicContact CE1-CE1 3.66Å; Y179-F223 HydrophobicContact CE1-CE2 4.31Å; Y179-F223 AromaticContact CE1-CZ 3.77Å; Y179-F223 HydrophobicContact CE1-CZ 3.77Å; Y179-C237 PolarHBondContact OH-O 3.4Å; Y179-A240 HydrophobicContact CE1-CB 4.14Å
180	T	97.9	Very high	95.5	Very high	9 Å²	9	20.8 Å²	20.8	6%	0.055	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	153.4	173.6	78.3	0	0	0	0	110.7	P144 I167 V168 A169 I178 V187 C188 Y190	P144-T180 HydrophobicContact CG-CG2 4.1Å; I167-T180 HydrophobicContact CG2-CG2 4.37Å; V168-T180 CarbonylContact O-C 3.23Å; V168-T180 VanDerWaalsContact O-CA 3.28Å; V168-T180 WeakPolarHBondContact O-CA 3.33Å; A169-T180 HydrophobicContact CB-CG2 4.01Å; I178-T180 HydrophobicContact CG2-CG2 4Å; T180-V187 VanDerWaalsContact O-CA 3.28Å; T180-V187 WeakPolarHBondContact O-CA 3.49Å; T180-C188 PolarHBondContact N-O 2.9Å; T180-C188 PolarHBondContact O-N 3.44Å; T180-C188 PolarHBondContact OG1-O 2.97Å; T180-Y190 HydrophobicContact CG2-CD2 4Å; T180-Y190 HydrophobicContact CG2-CE2 3.73Å
181	G	96.7	Very high	95.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	133.1	177.4	0	0	0	0	0	110.9	I167 V168 K186	I167-G181 WeakPolarHBondContact CA-O 3.49Å; V168-G181 PolarHBondContact N-O 3.26Å; V168-G181 PolarHBondContact O-N 3.23Å; G181-K186 WeakPolarHBondContact CA-O 3.23Å
182	N	95.2	Very high	95.4	Very high	19 Å²	19	22.8 Å²	22.8	10%	0.102	10%	0.104	C	C	.	.			trans	-109.3	177.9	-172.4	77.4	2.3	0	0	0	113.8	D164 I167 K184 G185 K186 I211	D164-N182 HydrophobicContact CB-CB 4.41Å; D164-N182 VanDerWaalsContact OD2-CB 3.26Å; D164-N182 WeakPolarHBondContact OD2-CB 3.48Å; D164-N182 PolarHBondContact OD2-ND2 3.35Å; I167-N182 HydrophobicContact CG1-CB 4.45Å; N182-K184 VanDerWaalsContact C-N 3.26Å; N182-K184 PolarHBondContact O-N 3.29Å; N182-K184 PolarHBondContact OD1-N 3.28Å; N182-K184 VanDerWaalsContact OD1-N 3.13Å; N182-G185 PolarHBondContact O-N 3.02Å; N182-G185 PolarHBondContact OD1-N 3.49Å; N182-K186 PolarHBondContact N-O 2.99Å; N182-K186 VanDerWaalsContact N-O 3.12Å; N182-K186 PolarHBondContact OD1-N 3.33Å; N182-K186 PolarHBondContact OD1-O 2.92Å; N182-I211 PolarHBondContact O-N 3.35Å; N182-I211 VanDerWaalsContact O-N 3.16Å
183	S	93.8	Very high	95.3	Very high	47 Å²	47	28.6 Å²	28.6	33%	0.329	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-20.8	-179.1	71.8	0	0	0	0	113.6	D164 G185 A210	D164-S183 WeakPolarHBondContact OD1-CB 3.46Å; D164-S183 PolarHBondContact OD1-N 2.67Å; D164-S183 PolarHBondContact OD1-OG 2.94Å; D164-S183 PolarHBondContact OD2-N 2.8Å; D164-S183 PolarHBondContact OD2-OG 2.83Å; S183-G185 VanDerWaalsContact C-N 3.3Å; S183-A210 WeakPolarHBondContact O-CA 3.34Å; S183-A210 VanDerWaalsContact O-CB 3.3Å; S183-A210 WeakPolarHBondContact O-CB 3.48Å; S183-A210 PolarHBondContact O-N 2.94Å
184	K	93.3	Very high	95.4	Very high	79 Å²	79	32.3 Å²	32.3	34%	0.343	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-10.9	173.9	-65	164.7	-167.3	179.4	0	113.3	D161 D164 N182 N208	D161-K184 IonicContact OD1-NZ 3.96Å; D161-K184 IonicContact OD2-NZ 3.05Å; D161-K184 PolarHBondContact OD2-NZ 2.87Å; D164-K184 HydrophobicContact CB-CD 4.38Å; D164-K184 WeakPolarHBondContact OD2-CG 3.46Å; D164-K184 PolarHBondContact OD2-N 2.85Å; N182-K184 VanDerWaalsContact C-N 3.26Å; N182-K184 PolarHBondContact O-N 3.29Å; N182-K184 PolarHBondContact OD1-N 3.28Å; N182-K184 VanDerWaalsContact OD1-N 3.13Å; K184-N208 WeakPolarHBondContact O-CA 3.24Å; K184-N208 WeakPolarHBondContact O-CB 3.48Å
185	G	94.2	Very high	95.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	83.5	21.3	-178.8	0	0	0	0	0	114.1	N182 S183 S203 A209	N182-G185 PolarHBondContact O-N 3.02Å; N182-G185 PolarHBondContact OD1-N 3.49Å; S183-G185 VanDerWaalsContact C-N 3.3Å; G185-S203 VanDerWaalsContact O-CB 3.31Å; G185-S203 WeakPolarHBondContact O-CB 3.15Å; G185-S203 PolarHBondContact O-N 3.12Å; G185-A209 WeakPolarHBondContact CA-O 3.38Å
186	K	94.4	Very high	95.7	Very high	52 Å²	52	38.7 Å²	38.7	23%	0.226	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	139.9	168.7	-164.3	172.2	-177.4	178.5	0	109.7	E160 G181 N182 S200 F201 I211	E160-K186 IonicContact OE1-NZ 3.08Å; E160-K186 PolarHBondContact OE1-NZ 2.85Å; E160-K186 WeakPolarHBondContact OE2-CE 3.44Å; E160-K186 IonicContact OE2-NZ 2.66Å; E160-K186 PolarHBondContact OE2-NZ 2.83Å; G181-K186 WeakPolarHBondContact CA-O 3.23Å; N182-K186 PolarHBondContact N-O 2.99Å; N182-K186 VanDerWaalsContact N-O 3.12Å; N182-K186 PolarHBondContact OD1-N 3.33Å; N182-K186 PolarHBondContact OD1-O 2.92Å; K186-S200 VanDerWaalsContact CE-CB 3.45Å; K186-S200 WeakPolarHBondContact CE-OG 3.4Å; K186-S200 PolarHBondContact NZ-OG 2.77Å; K186-F201 VanDerWaalsContact CG-O 3.31Å; K186-F201 WeakPolarHBondContact CG-O 3.25Å; K186-I211 WeakPolarHBondContact O-CD1 3.37Å
187	V	96.1	Very high	95.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135	171.1	179.8	0	0	0	0	108.3	Y179 T180 I189 S200 F201 I211 L225	Y179-V187 HydrophobicContact CD1-CG1 4.29Å; T180-V187 VanDerWaalsContact O-CA 3.28Å; T180-V187 WeakPolarHBondContact O-CA 3.49Å; V187-I189 HydrophobicContact CG1-CG1 4.46Å; V187-S200 CarbonylContact O-C 3.57Å; V187-S200 VanDerWaalsContact O-CA 3.28Å; V187-S200 WeakPolarHBondContact O-CA 3.38Å; V187-F201 HydrophobicContact CB-CD1 4.02Å; V187-F201 HydrophobicContact CB-CD2 4.48Å; V187-F201 HydrophobicContact CB-CE1 3.57Å; V187-F201 HydrophobicContact CB-CE2 4.09Å; V187-F201 HydrophobicContact CB-CG 4.45Å; V187-F201 HydrophobicContact CB-CZ 3.61Å; V187-F201 HydrophobicContact CG1-CD1 4.28Å; V187-F201 HydrophobicContact CG1-CE1 3.51Å; V187-F201 HydrophobicContact CG1-CZ 3.76Å; V187-F201 HydrophobicContact CG2-CE1 4.21Å; V187-F201 HydrophobicContact CG2-CE2 3.95Å; V187-F201 HydrophobicContact CG2-CZ 3.71Å; V187-F201 PolarHBondContact N-O 2.99Å; V187-F201 PolarHBondContact O-N 3.08Å; V187-I211 HydrophobicContact CG2-CD1 3.59Å; V187-L225 HydrophobicContact CG2-CD1 3.69Å; V187-L225 HydrophobicContact CG2-CD2 4.31Å
188	C	96.2	Very high	95.7	Very high	7 Å²	7	38.3 Å²	38.3	5%	0.047	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	136.6	177.1	-59.6	0	0	0	0	108.9	E160 T180 Y190 L197	E160-C188 PolarHBondContact OE2-SG 2.79Å; E160-C188 VanDerWaalsContact OE2-SG 3.38Å; T180-C188 PolarHBondContact N-O 2.9Å; T180-C188 PolarHBondContact O-N 3.44Å; T180-C188 PolarHBondContact OG1-O 2.97Å; C188-Y190 HydrophobicContact CB-CE2 3.56Å; C188-L197 HydrophobicContact CB-CD1 3.74Å
189	I	97.5	Very high	95.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.5	-173.1	-51.5	171.5	0	0	0	109.2	Y177 I178 Y179 V187 I198 S199 A240 L241	Y177-I189 HydrophobicContact CG-CG2 4.37Å; I178-I189 WeakPolarHBondContact O-CA 3.44Å; Y179-I189 HydrophobicContact CD1-CD1 3.97Å; Y179-I189 HydrophobicContact CD1-CG1 3.75Å; Y179-I189 HydrophobicContact CD2-CG1 4.36Å; Y179-I189 HydrophobicContact CD2-CG2 3.87Å; Y179-I189 HydrophobicContact CE1-CD1 3.41Å; Y179-I189 VanDerWaalsContact CE1-CD1 3.41Å; Y179-I189 HydrophobicContact CE1-CG1 3.73Å; Y179-I189 HydrophobicContact CE2-CD1 4.36Å; Y179-I189 HydrophobicContact CE2-CG1 4.34Å; Y179-I189 HydrophobicContact CE2-CG2 3.66Å; Y179-I189 HydrophobicContact CG-CG1 4.07Å; Y179-I189 HydrophobicContact CG-CG2 4.39Å; V187-I189 HydrophobicContact CG1-CG1 4.46Å; I189-I198 PolarHBondContact O-N 2.97Å; I189-S199 PolarHBondContact N-O 2.66Å; I189-S199 PolarHBondContact O-N 2.58Å; I189-A240 HydrophobicContact CD1-CB 3.97Å; I189-A240 VanDerWaalsContact CD1-O 3.25Å; I189-A240 WeakPolarHBondContact CD1-O 3.43Å; I189-L241 HydrophobicContact CD1-CD2 4.49Å; I189-L241 HydrophobicContact CG2-CD2 3.88Å
190	Y	97.4	Very high	95.4	Very high	6 Å²	6	39.7 Å²	39.7	2%	0.024	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	147.3	-175	-54.9	-102.9	0	0	0	111.3	V157 Q158 Y177 I178 T180 C188 F195 Q196 L197	V157-Y190 HydrophobicContact CG1-CD1 3.84Å; V157-Y190 HydrophobicContact CG1-CD2 3.78Å; V157-Y190 HydrophobicContact CG1-CE1 4.07Å; V157-Y190 HydrophobicContact CG1-CE2 4.04Å; V157-Y190 HydrophobicContact CG1-CG 3.7Å; Q158-Y190 VanDerWaalsContact O-CE1 3.3Å; Q158-Y190 WeakPolarHBondContact O-CE1 3.31Å; Q158-Y190 PolarHBondContact O-OH 2.84Å; Q158-Y190 VanDerWaalsContact O-OH 3.14Å; Y177-Y190 CarbonylContact C-O 3.53Å; Y177-Y190 VanDerWaalsContact CA-O 3.25Å; Y177-Y190 WeakPolarHBondContact CA-O 3.44Å; I178-Y190 PolarHBondContact N-O 3.29Å; I178-Y190 PolarHBondContact O-N 3.36Å; T180-Y190 HydrophobicContact CG2-CD2 4Å; T180-Y190 HydrophobicContact CG2-CE2 3.73Å; C188-Y190 HydrophobicContact CB-CE2 3.56Å; Y190-F195 WeakPolarHBondContact CD1-O 3.16Å; Y190-Q196 CarbonylContact C-O 3.6Å; Y190-Q196 WeakPolarHBondContact CA-O 3.22Å; Y190-L197 HydrophobicContact CD1-CB 4.09Å; Y190-L197 HydrophobicContact CD1-CD1 4.28Å; Y190-L197 HydrophobicContact CE1-CB 3.97Å; Y190-L197 HydrophobicContact CE1-CD1 3.9Å; Y190-L197 HydrophobicContact CE2-CD1 4.2Å
191	E	96.9	Very high	95.3	Very high	47 Å²	47	39.5 Å²	39.5	22%	0.22	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	131.7	173.7	-157.8	178.4	-168.9	0	0	112.4	Y177 K193 F195 Q196 I198	Y177-E191 HydrophobicContact CD1-CG 4.34Å; Y177-E191 HydrophobicContact CE1-CG 4.22Å; E191-K193 HydrophobicContact CG-CB 4.36Å; E191-K193 HydrophobicContact CG-CG 4.26Å; E191-K193 PolarHBondContact O-N 3.41Å; E191-K193 WeakPolarHBondContact OE1-CD 3.44Å; E191-K193 WeakPolarHBondContact OE1-CE 3.12Å; E191-K193 IonicContact OE1-NZ 2.65Å; E191-K193 PolarHBondContact OE1-NZ 2.88Å; E191-K193 IonicContact OE2-NZ 3.8Å; E191-F195 WeakPolarHBondContact O-CA 3.39Å; E191-F195 PolarHBondContact O-N 2.66Å; E191-Q196 PolarHBondContact N-O 2.93Å; E191-I198 HydrophobicContact CB-CD1 3.93Å; E191-I198 HydrophobicContact CB-CG1 4.32Å; E191-I198 HydrophobicContact CG-CD1 4.49Å
192	T	96	Very high	95.1	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	12.4	178.5	-50.3	0	0	0	0	113.9	N128 K131 Q134 Y171 G175 R176 Y177	N128-T192 VanDerWaalsContact ND2-CG2 3.32Å; N128-T192 WeakPolarHBondContact ND2-CG2 3.5Å; K131-T192 PolarHBondContact NZ-O 2.81Å; Q134-T192 VanDerWaalsContact OE1-CG2 3.25Å; Y171-T192 HydrophobicContact CD1-CG2 4.28Å; Y171-T192 HydrophobicContact CE1-CG2 3.54Å; G175-T192 WeakPolarHBondContact O-CB 3.43Å; G175-T192 WeakPolarHBondContact O-CG2 3.18Å; G175-T192 PolarHBondContact O-OG1 2.99Å; R176-T192 VanDerWaalsContact O-CB 3.31Å; R176-T192 WeakPolarHBondContact O-CB 3.35Å; R176-T192 PolarHBondContact O-N 3.07Å; R176-T192 PolarHBondContact O-OG1 2.86Å; R176-T192 VanDerWaalsContact O-OG1 3.1Å; Y177-T192 WeakPolarHBondContact CA-OG1 3.15Å; Y177-T192 PolarHBondContact N-OG1 2.62Å
193	K	92.8	Very high	95	Very high	128 Å²	128	42.1 Å²	42.1	56%	0.557	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-67.1	167.4	-63.3	-179.9	-167.1	136.2	0	109.6	E191	E191-K193 HydrophobicContact CG-CB 4.36Å; E191-K193 HydrophobicContact CG-CG 4.26Å; E191-K193 PolarHBondContact O-N 3.41Å; E191-K193 WeakPolarHBondContact OE1-CD 3.44Å; E191-K193 WeakPolarHBondContact OE1-CE 3.12Å; E191-K193 IonicContact OE1-NZ 2.65Å; E191-K193 PolarHBondContact OE1-NZ 2.88Å; E191-K193 IonicContact OE2-NZ 3.8Å
194	D	93.6	Very high	94.6	Very high	108 Å²	108	41.2 Å²	41.2	58%	0.578	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.4	7.8	-165.6	-50.1	-41.9	0	0	0	112.8	Q196	D194-Q196 HydrophobicContact CB-CG 4.14Å; D194-Q196 PolarHBondContact O-N 3.18Å; D194-Q196 VanDerWaalsContact O-N 3.08Å; D194-Q196 PolarHBondContact O-NE2 3.33Å
195	F	95.1	Very high	93.8	Very high	35 Å²	35	42.7 Å²	42.7	15%	0.154	22%	0.22	C	C	.	.			trans	54.6	25.1	178.6	-49.7	-71.7	0	0	0	114.9	V146 T155 V157 I178 Y190 E191	V146-F195 HydrophobicContact CB-CE1 4.03Å; V146-F195 HydrophobicContact CB-CZ 4.09Å; V146-F195 HydrophobicContact CG1-CE1 4.12Å; V146-F195 HydrophobicContact CG1-CZ 3.92Å; V146-F195 HydrophobicContact CG2-CD1 4.45Å; V146-F195 HydrophobicContact CG2-CE1 3.77Å; V146-F195 HydrophobicContact CG2-CZ 4.34Å; T155-F195 HydrophobicContact CG2-CD2 3.51Å; T155-F195 HydrophobicContact CG2-CE2 3.69Å; T155-F195 HydrophobicContact CG2-CG 4.24Å; V157-F195 HydrophobicContact CG2-CD1 4.15Å; I178-F195 HydrophobicContact CD1-CD1 4.04Å; I178-F195 HydrophobicContact CD1-CE1 3.98Å; Y190-F195 WeakPolarHBondContact CD1-O 3.16Å; E191-F195 WeakPolarHBondContact O-CA 3.39Å; E191-F195 PolarHBondContact O-N 2.66Å
196	Q	95.4	Very high	92.8	Very high	131 Å²	131	47.5 Å²	47.5	61%	0.612	26%	0.26	S	S	*	.			trans	-76	141	175.5	-60.4	-53	-58	0	0	111.2	Y190 E191 D194 I198	Y190-Q196 CarbonylContact C-O 3.6Å; Y190-Q196 WeakPolarHBondContact CA-O 3.22Å; E191-Q196 PolarHBondContact N-O 2.93Å; D194-Q196 HydrophobicContact CB-CG 4.14Å; D194-Q196 PolarHBondContact O-N 3.18Å; D194-Q196 VanDerWaalsContact O-N 3.08Å; D194-Q196 PolarHBondContact O-NE2 3.33Å; Q196-I198 PolarHBondContact O-N 3.14Å
197	L	95.7	Very high	91.9	Very high	74 Å²	74	47.6 Å²	47.6	39%	0.387	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	119.2	172.9	-179.1	68.9	0	0	0	109.7	C188 Y190 S199	C188-L197 HydrophobicContact CB-CD1 3.74Å; Y190-L197 HydrophobicContact CD1-CB 4.09Å; Y190-L197 HydrophobicContact CD1-CD1 4.28Å; Y190-L197 HydrophobicContact CE1-CB 3.97Å; Y190-L197 HydrophobicContact CE1-CD1 3.9Å; Y190-L197 HydrophobicContact CE2-CD1 4.2Å; L197-S199 WeakPolarHBondContact CD1-O 3.13Å
198	I	95.1	Very high	91.4	Very high	60 Å²	60	52.7 Å²	52.7	31%	0.308	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-50.8	176.1	-54.9	174.1	0	0	0	110	Y177 I189 E191 Q196 L241 N244	Y177-I198 HydrophobicContact CD1-CD1 3.37Å; Y177-I198 HydrophobicContact CE1-CD1 3.28Å; I189-I198 PolarHBondContact O-N 2.97Å; E191-I198 HydrophobicContact CB-CD1 3.93Å; E191-I198 HydrophobicContact CB-CG1 4.32Å; E191-I198 HydrophobicContact CG-CD1 4.49Å; Q196-I198 PolarHBondContact O-N 3.14Å; I198-L241 HydrophobicContact CD1-CD2 4.43Å; I198-N244 PolarHBondContact O-ND2 3.23Å
199	S	95.7	Very high	91.3	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.007	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	149.3	-165.4	170.3	0	0	0	0	110.7	I189 L197 A240 L241 A243	I189-S199 PolarHBondContact N-O 2.66Å; I189-S199 PolarHBondContact O-N 2.58Å; L197-S199 WeakPolarHBondContact CD1-O 3.13Å; S199-A240 PolarHBondContact OG-O 3.07Å; S199-L241 WeakPolarHBondContact CB-O 3.43Å; S199-A243 WeakPolarHBondContact OG-CB 3.45Å
200	S	94.9	Very high	91.2	Very high	29 Å²	29	54 Å²	54	20%	0.203	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	141	175.5	85.2	0	0	0	0	112	K186 V187	K186-S200 VanDerWaalsContact CE-CB 3.45Å; K186-S200 WeakPolarHBondContact CE-OG 3.4Å; K186-S200 PolarHBondContact NZ-OG 2.77Å; V187-S200 CarbonylContact O-C 3.57Å; V187-S200 VanDerWaalsContact O-CA 3.28Å; V187-S200 WeakPolarHBondContact O-CA 3.38Å
201	F	94.8	Very high	91.1	Very high	5 Å²	5	54 Å²	54	2%	0.022	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	166.5	179.6	68.7	-86	0	0	0	112	K186 V187 F223 Y235 A240 A243 P248	K186-F201 VanDerWaalsContact CG-O 3.31Å; K186-F201 WeakPolarHBondContact CG-O 3.25Å; V187-F201 HydrophobicContact CB-CD1 4.02Å; V187-F201 HydrophobicContact CB-CD2 4.48Å; V187-F201 HydrophobicContact CB-CE1 3.57Å; V187-F201 HydrophobicContact CB-CE2 4.09Å; V187-F201 HydrophobicContact CB-CG 4.45Å; V187-F201 HydrophobicContact CB-CZ 3.61Å; V187-F201 HydrophobicContact CG1-CD1 4.28Å; V187-F201 HydrophobicContact CG1-CE1 3.51Å; V187-F201 HydrophobicContact CG1-CZ 3.76Å; V187-F201 HydrophobicContact CG2-CE1 4.21Å; V187-F201 HydrophobicContact CG2-CE2 3.95Å; V187-F201 HydrophobicContact CG2-CZ 3.71Å; V187-F201 PolarHBondContact N-O 2.99Å; V187-F201 PolarHBondContact O-N 3.08Å; F201-F223 HydrophobicContact CZ-CZ 4.07Å; F201-Y235 HydrophobicContact CE2-CD1 4.4Å; F201-Y235 AromaticContact CE2-CE1 3.81Å; F201-Y235 HydrophobicContact CE2-CE1 3.81Å; F201-Y235 HydrophobicContact CE2-CE2 4.4Å; F201-Y235 AromaticContact CE2-CZ 3.8Å; F201-Y235 HydrophobicContact CZ-CE1 4.36Å; F201-A240 HydrophobicContact CE1-CB 3.85Å; F201-A240 HydrophobicContact CZ-CB 4.34Å; F201-A243 HydrophobicContact CB-CB 3.9Å; F201-A243 HydrophobicContact CD1-CB 4.1Å; F201-A243 HydrophobicContact CG-CB 4.33Å; F201-P248 HydrophobicContact CB-CG 4Å; F201-P248 HydrophobicContact CD1-CG 3.86Å; F201-P248 HydrophobicContact CD2-CG 3.59Å; F201-P248 HydrophobicContact CE1-CG 4.2Å; F201-P248 HydrophobicContact CE2-CG 3.95Å; F201-P248 HydrophobicContact CG-CG 3.54Å; F201-P248 HydrophobicContact CZ-CG 4.25Å
202	K	93.6	Very high	91.1	Very high	71 Å²	71	55.4 Å²	55.4	31%	0.309	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.3	175.8	-163.9	-177.5	179.7	-171.4	0	111	T204 A207 N208	K202-T204 VanDerWaalsContact CD-O 3.26Å; K202-T204 WeakPolarHBondContact CD-O 3.37Å; K202-T204 WeakPolarHBondContact CE-O 3.49Å; K202-T204 PolarHBondContact O-N 3Å; K202-A207 WeakPolarHBondContact CE-O 3.48Å; K202-A207 PolarHBondContact NZ-O 3.18Å; K202-N208 WeakPolarHBondContact CE-OD1 3.43Å; K202-N208 PolarHBondContact NZ-OD1 2.94Å
203	S	92.2	Very high	91.2	Very high	4 Å²	4	56.3 Å²	56.3	3%	0.028	32%	0.321	C	S	.	.	S	Bend	trans	-61.8	-16.5	-178.2	-168.1	0	0	0	0	114.3	G185 L225 R233 Y235	G185-S203 VanDerWaalsContact O-CB 3.31Å; G185-S203 WeakPolarHBondContact O-CB 3.15Å; G185-S203 PolarHBondContact O-N 3.12Å; S203-L225 VanDerWaalsContact OG-CD1 3.26Å; S203-L225 WeakPolarHBondContact OG-CD1 3.36Å; S203-R233 WeakPolarHBondContact O-CD 3.4Å; S203-R233 PolarHBondContact O-NE 3.25Å; S203-R233 WeakPolarHBondContact OG-CD 3.46Å; S203-Y235 WeakPolarHBondContact CA-OH 3.34Å; S203-Y235 PolarHBondContact O-OH 2.95Å
204	T	86.7	Confident	91.4	Very high	28 Å²	28	50.3 Å²	50.3	17%	0.172	30%	0.295	C	S	.	.			trans	-163.4	123.9	172.8	162	0	0	0	0	110.6	K202 A206 A207 A209	K202-T204 VanDerWaalsContact CD-O 3.26Å; K202-T204 WeakPolarHBondContact CD-O 3.37Å; K202-T204 WeakPolarHBondContact CE-O 3.49Å; K202-T204 PolarHBondContact O-N 3Å; T204-A206 PolarHBondContact O-N 2.97Å; T204-A207 WeakPolarHBondContact CG2-O 3.37Å; T204-A207 VanDerWaalsContact O-O 3.05Å; T204-A209 HydrophobicContact CG2-CB 3.93Å
205	S	75.7	Confident	91.7	Very high	110 Å²	110	46.8 Å²	46.8	77%	0.769	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-38.2	-178.5	-30.4	0	0	0	0	112.1	A207	S205-A207 PolarHBondContact O-N 3.29Å
206	A	72.7	Confident	91.8	Very high	101 Å²	101	46.6 Å²	46.6	84%	0.835	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-19.7	-168.4	0	0	0	0	0	116	T204	T204-A206 PolarHBondContact O-N 2.97Å
207	A	75.5	Confident	91.7	Very high	54 Å²	54	40.5 Å²	40.5	45%	0.446	25%	0.246	S	C	.	.	S	Bend	trans	-156.8	159.5	-176.8	0	0	0	0	0	111.1	K202 T204 S205	K202-A207 WeakPolarHBondContact CE-O 3.48Å; K202-A207 PolarHBondContact NZ-O 3.18Å; T204-A207 WeakPolarHBondContact CG2-O 3.37Å; T204-A207 VanDerWaalsContact O-O 3.05Å; S205-A207 PolarHBondContact O-N 3.29Å
208	N	86.8	Confident	91.4	Very high	107 Å²	107	41.1 Å²	41.1	57%	0.572	24%	0.243	S	C	*	.			trans	-86.6	119.4	168.6	-68.9	7.2	0	0	0	108.7	K184 K202	K184-N208 WeakPolarHBondContact O-CA 3.24Å; K184-N208 WeakPolarHBondContact O-CB 3.48Å; K202-N208 WeakPolarHBondContact CE-OD1 3.43Å; K202-N208 PolarHBondContact NZ-OD1 2.94Å
209	A	92.9	Very high	91.1	Very high	4 Å²	4	42.5 Å²	42.5	3%	0.033	25%	0.245	C	C	.	.			trans	-126.9	103.8	179.9	0	0	0	0	0	109.4	G185 T204 I211 C227 D229	G185-A209 WeakPolarHBondContact CA-O 3.38Å; T204-A209 HydrophobicContact CG2-CB 3.93Å; A209-I211 PolarHBondContact O-N 3.44Å; A209-C227 HydrophobicContact CB-CB 4.37Å; A209-D229 HydrophobicContact CB-CB 3.95Å
210	A	95.2	Very high	90.6	Very high	30 Å²	30	44.1 Å²	44.1	25%	0.248	26%	0.262	C	S	.	.			trans	-53.3	132.3	-177.6	0	0	0	0	0	112.2	S183 C227 A228	S183-A210 WeakPolarHBondContact O-CA 3.34Å; S183-A210 VanDerWaalsContact O-CB 3.3Å; S183-A210 WeakPolarHBondContact O-CB 3.48Å; S183-A210 PolarHBondContact O-N 2.94Å; A210-C227 CarbonylContact O-C 3.54Å; A210-C227 WeakPolarHBondContact O-CA 3.24Å; A210-A228 HydrophobicContact CB-CB 3.97Å; A210-A228 WeakPolarHBondContact O-CB 3.14Å; A210-A228 PolarHBondContact O-N 3.42Å
211	I	96.7	Very high	90.5	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	122	177.5	-63	155.9	0	0	0	108	V168 N182 K186 V187 A209 I214 L225	V168-I211 HydrophobicContact CG2-CB 4.39Å; V168-I211 HydrophobicContact CG2-CG2 3.8Å; N182-I211 PolarHBondContact O-N 3.35Å; N182-I211 VanDerWaalsContact O-N 3.16Å; K186-I211 WeakPolarHBondContact O-CD1 3.37Å; V187-I211 HydrophobicContact CG2-CD1 3.59Å; A209-I211 PolarHBondContact O-N 3.44Å; I211-I214 HydrophobicContact CG2-CD1 4.38Å; I211-I214 HydrophobicContact CG2-CG1 3.86Å; I211-L225 HydrophobicContact CG2-CD2 4.16Å
212	K	96	Very high	90.6	Very high	76 Å²	76	48 Å²	48	33%	0.33	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-31.8	-175.8	-58.7	177.8	62.3	-167.4	0	113.5	N226 W263 M280	K212-N226 VanDerWaalsContact CB-O 3.3Å; K212-N226 WeakPolarHBondContact CB-O 3.25Å; K212-N226 PolarHBondContact N-O 3.06Å; K212-W263 PolarHBondContact NZ-O 2.59Å; K212-M280 PolarHBondContact NZ-SD 3.31Å
213	S	97.6	Very high	90.8	Very high	20 Å²	20	44.6 Å²	44.6	14%	0.14	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	152.8	171.6	67.5	0	0	0	0	110.2	N226	S213-N226 PolarHBondContact O-N 3.21Å; S213-N226 WeakPolarHBondContact OG-CB 3.29Å
214	I	98.4	Very high	91.1	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.1	170.4	-51.3	-174.4	0	0	0	105.6	V168 I211 F216 F223 L225	V168-I214 HydrophobicContact CG2-CG1 4.24Å; I211-I214 HydrophobicContact CG2-CD1 4.38Å; I211-I214 HydrophobicContact CG2-CG1 3.86Å; I214-F216 HydrophobicContact CG2-CD2 4.45Å; I214-F216 HydrophobicContact CG2-CE2 3.78Å; I214-F216 HydrophobicContact CG2-CZ 4.42Å; I214-F223 HydrophobicContact CG2-CD2 4.23Å; I214-L225 HydrophobicContact CB-CD2 4.3Å; I214-L225 HydrophobicContact CD1-CD2 4.03Å; I214-L225 HydrophobicContact CG1-CD2 3.68Å; I214-L225 HydrophobicContact CG2-CD2 4.07Å
215	E	98.1	Very high	91.6	Very high	35 Å²	35	43.1 Å²	43.1	16%	0.164	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	140.4	-179.2	-47.3	-76.3	171.7	0	0	108.2	F223 L224 K265	E215-F223 WeakPolarHBondContact O-CA 3.15Å; E215-F223 WeakPolarHBondContact O-CB 3.49Å; E215-L224 HydrophobicContact CB-CD1 3.89Å; E215-L224 HydrophobicContact CB-CG 4.14Å; E215-L224 HydrophobicContact CG-CD1 3.95Å; E215-L224 PolarHBondContact N-O 3.15Å; E215-L224 PolarHBondContact O-N 3.31Å; E215-K265 IonicContact OE1-NZ 3.24Å; E215-K265 PolarHBondContact OE1-NZ 3.3Å; E215-K265 IonicContact OE2-NZ 2.7Å; E215-K265 PolarHBondContact OE2-NZ 2.89Å
216	F	97.1	Very high	92.7	Very high	31 Å²	31	37.9 Å²	37.9	14%	0.136	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	149.4	-178.6	-77.4	-97	0	0	0	111.2	Y171 D172 Y179 I214 F223 F268	Y171-F216 WeakPolarHBondContact O-CD2 3.37Å; Y171-F216 WeakPolarHBondContact O-CE2 3.35Å; D172-F216 HydrophobicContact CB-CD1 4.22Å; D172-F216 HydrophobicContact CB-CE1 3.81Å; D172-F216 HydrophobicContact CB-CZ 4.07Å; Y179-F216 AromaticContact CD1-CZ 3.93Å; Y179-F216 HydrophobicContact CD1-CZ 3.93Å; Y179-F216 HydrophobicContact CD2-CE1 4.32Å; Y179-F216 HydrophobicContact CD2-CE2 4.4Å; Y179-F216 AromaticContact CD2-CZ 3.54Å; Y179-F216 HydrophobicContact CD2-CZ 3.54Å; Y179-F216 HydrophobicContact CE1-CZ 4.2Å; Y179-F216 HydrophobicContact CE2-CE1 4.16Å; Y179-F216 AromaticContact CE2-CZ 3.83Å; Y179-F216 HydrophobicContact CE2-CZ 3.83Å; Y179-F216 HydrophobicContact CG-CE2 4.31Å; Y179-F216 AromaticContact CG-CZ 3.6Å; Y179-F216 HydrophobicContact CG-CZ 3.6Å; I214-F216 HydrophobicContact CG2-CD2 4.45Å; I214-F216 HydrophobicContact CG2-CE2 3.78Å; I214-F216 HydrophobicContact CG2-CZ 4.42Å; F216-F223 HydrophobicContact CD1-CB 3.62Å; F216-F223 HydrophobicContact CD2-CB 4.38Å; F216-F223 HydrophobicContact CE1-CB 3.57Å; F216-F223 HydrophobicContact CE1-CD1 4.2Å; F216-F223 HydrophobicContact CE1-CG 4.06Å; F216-F223 HydrophobicContact CE2-CB 4.33Å; F216-F223 HydrophobicContact CG-CB 4.03Å; F216-F223 HydrophobicContact CZ-CB 3.93Å; F216-F223 HydrophobicContact CZ-CG 4.22Å; F216-F268 VanDerWaalsContact C-CD2 3.49Å
217	A	94.7	Very high	93.8	Very high	2 Å²	2	33.2 Å²	33.2	2%	0.017	18%	0.175	C	C	.	.			trans	-68.5	146.9	167.6	0	0	0	0	0	109.9	R219 Y222 F268	A217-R219 VanDerWaalsContact C-N 3.33Å; A217-R219 VanDerWaalsContact CB-O 3.26Å; A217-R219 WeakPolarHBondContact CB-O 3.34Å; A217-Y222 WeakPolarHBondContact CB-O 3.26Å; A217-Y222 PolarHBondContact N-O 3.26Å; A217-F268 HydrophobicContact CB-CB 4.35Å; A217-F268 HydrophobicContact CB-CD1 3.96Å; A217-F268 HydrophobicContact CB-CD2 3.94Å; A217-F268 HydrophobicContact CB-CE1 4.16Å; A217-F268 HydrophobicContact CB-CE2 4.13Å; A217-F268 HydrophobicContact CB-CG 3.84Å; A217-F268 HydrophobicContact CB-CZ 4.24Å; A217-F268 VanDerWaalsContact N-CD2 3.34Å
218	R	89.5	Confident	94.7	Very high	88 Å²	88	32.8 Å²	32.8	33%	0.332	17%	0.171	S	C	.	.	S	Bend	trans	-77.6	-21.3	174.6	-86.3	177.5	167.4	-118.3	16.1	112.6	N45 R46 R173 G270 P314 S401	N45-R218 PolarHBondContact O-NH2 2.57Å; R46-R218 PolarHBondContact O-NH1 3.12Å; R173-R218 WeakPolarHBondContact CD-O 3.37Å; R218-G270 WeakPolarHBondContact CB-O 3.45Å; R218-P314 VanDerWaalsContact NH1-CB 3.25Å; R218-S401 VanDerWaalsContact O-CB 3.24Å; R218-S401 WeakPolarHBondContact O-CB 3.42Å
219	R	87.6	Confident	95.1	Very high	88 Å²	88	30.6 Å²	30.6	33%	0.332	16%	0.16	S	C	.	.	S	Bend	trans	-136.3	149.5	176.2	-81.9	166.5	148.5	-143.6	-11.6	108.8	A217 D271 Q397 L400	A217-R219 VanDerWaalsContact C-N 3.33Å; A217-R219 VanDerWaalsContact CB-O 3.26Å; A217-R219 WeakPolarHBondContact CB-O 3.34Å; R219-D271 WeakPolarHBondContact CB-O 3.13Å; R219-Q397 PolarHBondContact NH2-O 2.82Å; R219-L400 PolarHBondContact NE-O 2.88Å
220	G	86.6	Confident	95.2	Very high	36 Å²	36	35.5 Å²	35.5	37%	0.371	18%	0.178	S	C	.	.	S	Bend	trans	71.8	167	-168.7	0	0	0	0	0	113.7	Y222	G220-Y222 PolarHBondContact O-N 3.18Å
221	E	91.9	Very high	95.2	Very high	54 Å²	54	35.1 Å²	35.1	25%	0.252	17%	0.172	S	C	.	.	S	Bend	trans	-93.7	61.2	179.3	-72.2	-55.7	127	0	0	111.2	R173 N236 C237	R173-E221 IonicContact CZ-OE1 3.99Å; R173-E221 VanDerWaalsContact CZ-OE1 3.27Å; R173-E221 IonicContact NE-OE1 2.89Å; R173-E221 PolarHBondContact NE-OE1 3.02Å; R173-E221 VanDerWaalsContact NE-OE1 3.08Å; R173-E221 IonicContact NH2-OE1 3.02Å; R173-E221 PolarHBondContact NH2-OE1 3.46Å; E221-N236 CarbonylContact O-C 3.52Å; E221-N236 VanDerWaalsContact O-CA 3.31Å; E221-N236 WeakPolarHBondContact O-CA 3.46Å; E221-N236 PolarHBondContact O-OD1 2.76Å; E221-N236 VanDerWaalsContact O-OD1 3.09Å; E221-C237 HydrophobicContact CB-CB 4.06Å; E221-C237 PolarHBondContact O-N 3.02Å; E221-C237 WeakPolarHBondContact OE2-CB 3.49Å
222	Y	96.3	Very high	95.3	Very high	61 Å²	61	34.9 Å²	34.9	24%	0.239	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.9	-177.8	-53.9	-59.7	0	0	0	113.2	A217 G220 Y235 I251 R290	A217-Y222 WeakPolarHBondContact CB-O 3.26Å; A217-Y222 PolarHBondContact N-O 3.26Å; G220-Y222 PolarHBondContact O-N 3.18Å; Y222-Y235 WeakPolarHBondContact CA-O 3.36Å; Y222-I251 HydrophobicContact CD1-CD1 3.79Å; Y222-I251 HydrophobicContact CE1-CD1 3.8Å; Y222-R290 PolarHBondContact OH-NH1 2.74Å
223	F	98.1	Very high	95.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	160.4	168.5	71.4	-83.3	0	0	0	111.5	Y179 F201 I214 E215 F216 L225 V234 Y235 N236 A240	Y179-F223 HydrophobicContact CD1-CE1 4.37Å; Y179-F223 HydrophobicContact CD1-CE2 4.24Å; Y179-F223 HydrophobicContact CD1-CZ 4.12Å; Y179-F223 HydrophobicContact CE1-CD1 4.13Å; Y179-F223 AromaticContact CE1-CE1 3.66Å; Y179-F223 HydrophobicContact CE1-CE1 3.66Å; Y179-F223 HydrophobicContact CE1-CE2 4.31Å; Y179-F223 AromaticContact CE1-CZ 3.77Å; Y179-F223 HydrophobicContact CE1-CZ 3.77Å; F201-F223 HydrophobicContact CZ-CZ 4.07Å; I214-F223 HydrophobicContact CG2-CD2 4.23Å; E215-F223 WeakPolarHBondContact O-CA 3.15Å; E215-F223 WeakPolarHBondContact O-CB 3.49Å; F216-F223 HydrophobicContact CD1-CB 3.62Å; F216-F223 HydrophobicContact CD2-CB 4.38Å; F216-F223 HydrophobicContact CE1-CB 3.57Å; F216-F223 HydrophobicContact CE1-CD1 4.2Å; F216-F223 HydrophobicContact CE1-CG 4.06Å; F216-F223 HydrophobicContact CE2-CB 4.33Å; F216-F223 HydrophobicContact CG-CB 4.03Å; F216-F223 HydrophobicContact CZ-CB 3.93Å; F216-F223 HydrophobicContact CZ-CG 4.22Å; F223-L225 HydrophobicContact CD2-CD2 4.1Å; F223-L225 HydrophobicContact CD2-CG 4.36Å; F223-L225 HydrophobicContact CE2-CD1 4.46Å; F223-L225 HydrophobicContact CE2-CD2 3.91Å; F223-L225 HydrophobicContact CE2-CG 4.05Å; F223-V234 WeakPolarHBondContact O-CA 3.3Å; F223-Y235 VanDerWaalsContact CE1-CB 3.41Å; F223-Y235 HydrophobicContact CE1-CG 4.35Å; F223-Y235 HydrophobicContact CE2-CD2 4.01Å; F223-Y235 HydrophobicContact CE2-CG 4.21Å; F223-Y235 VanDerWaalsContact CZ-CB 3.4Å; F223-Y235 HydrophobicContact CZ-CD2 4.13Å; F223-Y235 AromaticContact CZ-CG 3.86Å; F223-Y235 HydrophobicContact CZ-CG 3.86Å; F223-Y235 PolarHBondContact N-O 3.18Å; F223-Y235 PolarHBondContact O-N 2.93Å; F223-N236 WeakPolarHBondContact CE1-O 3.39Å; F223-A240 HydrophobicContact CE1-CB 3.6Å; F223-A240 HydrophobicContact CZ-CB 3.74Å
224	L	98.4	Very high	95.4	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	147.9	174.6	65.9	79.6	0	0	0	112.1	E215 I232 R233 C266 F268 I275	E215-L224 HydrophobicContact CB-CD1 3.89Å; E215-L224 HydrophobicContact CB-CG 4.14Å; E215-L224 HydrophobicContact CG-CD1 3.95Å; E215-L224 PolarHBondContact N-O 3.15Å; E215-L224 PolarHBondContact O-N 3.31Å; L224-I232 HydrophobicContact CB-CG2 4.02Å; L224-I232 HydrophobicContact CD1-CG2 4.26Å; L224-I232 HydrophobicContact CD2-CG2 4.39Å; L224-I232 HydrophobicContact CG-CG2 4.47Å; L224-R233 CarbonylContact C-O 3.6Å; L224-R233 VanDerWaalsContact CA-O 3.27Å; L224-R233 WeakPolarHBondContact CA-O 3.35Å; L224-C266 HydrophobicContact CD1-CB 3.75Å; L224-C266 HydrophobicContact CD2-CB 4.34Å; L224-F268 HydrophobicContact CB-CE2 3.98Å; L224-F268 HydrophobicContact CB-CZ 4Å; L224-F268 HydrophobicContact CD2-CD2 3.9Å; L224-F268 HydrophobicContact CD2-CE1 4.48Å; L224-F268 HydrophobicContact CD2-CE2 3.6Å; L224-F268 HydrophobicContact CD2-CG 4.47Å; L224-F268 HydrophobicContact CD2-CZ 3.93Å; L224-F268 HydrophobicContact CG-CD2 4.27Å; L224-F268 HydrophobicContact CG-CE2 3.63Å; L224-F268 HydrophobicContact CG-CZ 4.11Å; L224-I275 HydrophobicContact CD2-CD1 4.45Å; L224-I275 HydrophobicContact CD2-CG1 4.25Å; L224-I275 HydrophobicContact CD2-CG2 3.79Å
225	L	98.3	Very high	95.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.4	171.6	-56.9	178.9	0	0	0	109	V187 S203 I211 I214 F223 I232 R233 Y235	V187-L225 HydrophobicContact CG2-CD1 3.69Å; V187-L225 HydrophobicContact CG2-CD2 4.31Å; S203-L225 VanDerWaalsContact OG-CD1 3.26Å; S203-L225 WeakPolarHBondContact OG-CD1 3.36Å; I211-L225 HydrophobicContact CG2-CD2 4.16Å; I214-L225 HydrophobicContact CB-CD2 4.3Å; I214-L225 HydrophobicContact CD1-CD2 4.03Å; I214-L225 HydrophobicContact CG1-CD2 3.68Å; I214-L225 HydrophobicContact CG2-CD2 4.07Å; F223-L225 HydrophobicContact CD2-CD2 4.1Å; F223-L225 HydrophobicContact CD2-CG 4.36Å; F223-L225 HydrophobicContact CE2-CD1 4.46Å; F223-L225 HydrophobicContact CE2-CD2 3.91Å; F223-L225 HydrophobicContact CE2-CG 4.05Å; L225-I232 WeakPolarHBondContact O-CA 3.19Å; L225-R233 HydrophobicContact CB-CB 4.46Å; L225-R233 PolarHBondContact N-O 3.11Å; L225-R233 PolarHBondContact O-N 3.02Å; L225-Y235 HydrophobicContact CD1-CD2 4.11Å; L225-Y235 HydrophobicContact CD1-CE2 3.61Å; L225-Y235 HydrophobicContact CG-CD2 4.3Å; L225-Y235 HydrophobicContact CG-CE2 4.2Å
226	N	97.7	Very high	95.3	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	103.2	169.5	178.1	3.2	0	0	0	108.8	K212 S213 W263	K212-N226 VanDerWaalsContact CB-O 3.3Å; K212-N226 WeakPolarHBondContact CB-O 3.25Å; K212-N226 PolarHBondContact N-O 3.06Å; S213-N226 PolarHBondContact O-N 3.21Å; S213-N226 WeakPolarHBondContact OG-CB 3.29Å; N226-W263 PolarHBondContact ND2-O 2.91Å
227	C	96.3	Very high	95.2	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.014	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	149.4	-175.1	-61.7	0	0	0	0	113	A209 A210 D229 R230 V231 R233	A209-C227 HydrophobicContact CB-CB 4.37Å; A210-C227 CarbonylContact O-C 3.54Å; A210-C227 WeakPolarHBondContact O-CA 3.24Å; C227-D229 WeakPolarHBondContact CB-OD1 3.41Å; C227-D229 PolarHBondContact O-N 2.75Å; C227-D229 VanDerWaalsContact O-N 3.16Å; C227-R230 PolarHBondContact O-N 3.05Å; C227-R230 VanDerWaalsContact O-N 3.11Å; C227-V231 WeakPolarHBondContact CB-O 3.11Å; C227-V231 PolarHBondContact N-O 3.45Å; C227-R233 VanDerWaalsContact CB-NH1 3.29Å; C227-R233 PolarHBondContact SG-NH1 2.88Å; C227-R233 VanDerWaalsContact SG-NH1 3.37Å
228	A	95	Very high	95.2	Very high	45 Å²	45	34.9 Å²	34.9	37%	0.372	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.4	178.9	0	0	0	0	0	114.1	A210 R230	A210-A228 HydrophobicContact CB-CB 3.97Å; A210-A228 WeakPolarHBondContact O-CB 3.14Å; A210-A228 PolarHBondContact O-N 3.42Å; A228-R230 PolarHBondContact O-N 2.88Å
229	D	94.1	Very high	95.5	Very high	62 Å²	62	34 Å²	34	33%	0.332	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	8.6	173.9	73.4	-17.8	0	0	0	114.2	A209 C227 V231 R233	A209-D229 HydrophobicContact CB-CB 3.95Å; C227-D229 WeakPolarHBondContact CB-OD1 3.41Å; C227-D229 PolarHBondContact O-N 2.75Å; C227-D229 VanDerWaalsContact O-N 3.16Å; D229-V231 PolarHBondContact O-N 3.05Å; D229-V231 PolarHBondContact OD1-N 3.18Å; D229-R233 IonicContact OD1-CZ 2.64Å; D229-R233 IonicContact OD1-NH1 3.29Å; D229-R233 PolarHBondContact OD1-NH1 3.22Å; D229-R233 IonicContact OD1-NH2 3.73Å; D229-R233 IonicContact OD2-CZ 3.11Å; D229-R233 IonicContact OD2-NH1 2.69Å; D229-R233 PolarHBondContact OD2-NH1 2.85Å; D229-R233 VanDerWaalsContact OD2-NH1 3.11Å; D229-R233 IonicContact OD2-NH2 3.88Å; D229-R233 PolarHBondContact OD2-NH2 2.88Å
230	R	95.4	Very high	95.9	Very high	107 Å²	107	29.9 Å²	29.9	40%	0.404	16%	0.157	S	C	.	.	S	Bend	trans	73.5	6.6	178.8	-49.8	154	-169.6	-159	18.5	114.6	C227 A228 G260 S261 H262 W263	C227-R230 PolarHBondContact O-N 3.05Å; C227-R230 VanDerWaalsContact O-N 3.11Å; A228-R230 PolarHBondContact O-N 2.88Å; R230-G260 WeakPolarHBondContact CD-O 3.04Å; R230-G260 PolarHBondContact NH1-O 2.76Å; R230-S261 WeakPolarHBondContact CB-O 3.42Å; R230-H262 HydrophobicContact CG-CB 4.25Å; R230-H262 WeakPolarHBondContact CG-CD2 3.36Å; R230-H262 PolarHBondContact NE-CE1 3.03Å; R230-H262 PolarHBondContact NE-NE2 3.12Å; R230-H262 PolarHBondContact NH2-CE1 3.37Å; R230-W263 PolarHBondContact O-NE1 2.83Å
231	V	96.1	Very high	96.3	Very high	22 Å²	22	29.8 Å²	29.8	13%	0.133	15%	0.148	C	C	.	.			trans	-101.7	123.9	177.4	-175.1	0	0	0	0	109.4	C227 D229 R233 K253 L254 K255	C227-V231 WeakPolarHBondContact CB-O 3.11Å; C227-V231 PolarHBondContact N-O 3.45Å; D229-V231 PolarHBondContact O-N 3.05Å; D229-V231 PolarHBondContact OD1-N 3.18Å; V231-R233 HydrophobicContact CG1-CG 4.17Å; V231-R233 PolarHBondContact O-NH1 2.92Å; V231-K253 HydrophobicContact CG1-CB 3.86Å; V231-L254 WeakPolarHBondContact CA-O 3.13Å; V231-K255 HydrophobicContact CG2-CB 4.34Å; V231-K255 HydrophobicContact CG2-CD 4.29Å
232	I	97.8	Very high	96.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	127.7	166	-55.9	165.3	0	0	0	106.8	L224 L225 K253 L254 W263 C266 A277 W288	L224-I232 HydrophobicContact CB-CG2 4.02Å; L224-I232 HydrophobicContact CD1-CG2 4.26Å; L224-I232 HydrophobicContact CD2-CG2 4.39Å; L224-I232 HydrophobicContact CG-CG2 4.47Å; L225-I232 WeakPolarHBondContact O-CA 3.19Å; I232-K253 CarbonylContact O-C 3.57Å; I232-K253 WeakPolarHBondContact O-CA 3.46Å; I232-L254 HydrophobicContact CB-CB 4.25Å; I232-L254 PolarHBondContact N-O 3.2Å; I232-L254 PolarHBondContact O-N 3.46Å; I232-W263 HydrophobicContact CD1-CD2 4.14Å; I232-W263 HydrophobicContact CD1-CG 3.92Å; I232-W263 VanDerWaalsContact CG1-CD1 3.49Å; I232-W263 HydrophobicContact CG1-CG 4.06Å; I232-C266 VanDerWaalsContact CD1-SG 3.57Å; I232-A277 HydrophobicContact CD1-CB 3.39Å; I232-W288 HydrophobicContact CD1-CZ3 4.47Å
233	R	97.5	Very high	96.2	Very high	14 Å²	14	28.8 Å²	28.8	5%	0.053	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	126.5	179.7	-66.2	166.1	171.1	74.4	2.3	109.3	S203 L224 L225 C227 D229 V231 Y235 P250 K252	S203-R233 WeakPolarHBondContact O-CD 3.4Å; S203-R233 PolarHBondContact O-NE 3.25Å; S203-R233 WeakPolarHBondContact OG-CD 3.46Å; L224-R233 CarbonylContact C-O 3.6Å; L224-R233 VanDerWaalsContact CA-O 3.27Å; L224-R233 WeakPolarHBondContact CA-O 3.35Å; L225-R233 HydrophobicContact CB-CB 4.46Å; L225-R233 PolarHBondContact N-O 3.11Å; L225-R233 PolarHBondContact O-N 3.02Å; C227-R233 VanDerWaalsContact CB-NH1 3.29Å; C227-R233 PolarHBondContact SG-NH1 2.88Å; C227-R233 VanDerWaalsContact SG-NH1 3.37Å; D229-R233 IonicContact OD1-CZ 2.64Å; D229-R233 IonicContact OD1-NH1 3.29Å; D229-R233 PolarHBondContact OD1-NH1 3.22Å; D229-R233 IonicContact OD1-NH2 3.73Å; D229-R233 IonicContact OD2-CZ 3.11Å; D229-R233 IonicContact OD2-NH1 2.69Å; D229-R233 PolarHBondContact OD2-NH1 2.85Å; D229-R233 VanDerWaalsContact OD2-NH1 3.11Å; D229-R233 IonicContact OD2-NH2 3.88Å; D229-R233 PolarHBondContact OD2-NH2 2.88Å; V231-R233 HydrophobicContact CG1-CG 4.17Å; V231-R233 PolarHBondContact O-NH1 2.92Å; R233-Y235 HydrophobicContact CB-CD2 4.24Å; R233-Y235 HydrophobicContact CB-CE2 3.59Å; R233-P250 HydrophobicContact CB-CB 3.94Å; R233-P250 HydrophobicContact CB-CG 4.42Å; R233-P250 HydrophobicContact CG-CB 4.43Å; R233-P250 HydrophobicContact CG-CG 4.4Å; R233-K252 WeakPolarHBondContact CA-O 3.26Å
234	V	98	Very high	95.7	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	133.4	179.5	-171.4	0	0	0	0	108.8	F223 P250 I251 K252 L254 F268 I275 R290	F223-V234 WeakPolarHBondContact O-CA 3.3Å; V234-P250 CarbonylContact O-C 3.51Å; V234-P250 VanDerWaalsContact O-C 3.23Å; V234-P250 WeakPolarHBondContact O-CA 3.41Å; V234-P250 VanDerWaalsContact O-CB 3.28Å; V234-P250 WeakPolarHBondContact O-CB 3.18Å; V234-I251 PolarHBondContact O-N 2.81Å; V234-K252 HydrophobicContact CB-CB 4.18Å; V234-K252 HydrophobicContact CG2-CB 4.04Å; V234-K252 PolarHBondContact N-O 2.88Å; V234-L254 HydrophobicContact CG2-CD1 4.41Å; V234-F268 HydrophobicContact CG1-CZ 4.38Å; V234-I275 HydrophobicContact CG1-CD1 4.35Å; V234-I275 HydrophobicContact CG2-CD1 3.4Å; V234-R290 HydrophobicContact CG1-CG 4.39Å
235	Y	97.7	Very high	95	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	157.4	-176.5	-72.9	-90.1	0	0	0	111.1	F201 S203 Y222 F223 L225 R233 P248 P250	F201-Y235 HydrophobicContact CE2-CD1 4.4Å; F201-Y235 AromaticContact CE2-CE1 3.81Å; F201-Y235 HydrophobicContact CE2-CE1 3.81Å; F201-Y235 HydrophobicContact CE2-CE2 4.4Å; F201-Y235 AromaticContact CE2-CZ 3.8Å; F201-Y235 HydrophobicContact CZ-CE1 4.36Å; S203-Y235 WeakPolarHBondContact CA-OH 3.34Å; S203-Y235 PolarHBondContact O-OH 2.95Å; Y222-Y235 WeakPolarHBondContact CA-O 3.36Å; F223-Y235 VanDerWaalsContact CE1-CB 3.41Å; F223-Y235 HydrophobicContact CE1-CG 4.35Å; F223-Y235 HydrophobicContact CE2-CD2 4.01Å; F223-Y235 HydrophobicContact CE2-CG 4.21Å; F223-Y235 VanDerWaalsContact CZ-CB 3.4Å; F223-Y235 HydrophobicContact CZ-CD2 4.13Å; F223-Y235 AromaticContact CZ-CG 3.86Å; F223-Y235 HydrophobicContact CZ-CG 3.86Å; F223-Y235 PolarHBondContact N-O 3.18Å; F223-Y235 PolarHBondContact O-N 2.93Å; L225-Y235 HydrophobicContact CD1-CD2 4.11Å; L225-Y235 HydrophobicContact CD1-CE2 3.61Å; L225-Y235 HydrophobicContact CG-CD2 4.3Å; L225-Y235 HydrophobicContact CG-CE2 4.2Å; R233-Y235 HydrophobicContact CB-CD2 4.24Å; R233-Y235 HydrophobicContact CB-CE2 3.59Å; Y235-P248 HydrophobicContact CD1-CB 4.28Å; Y235-P248 HydrophobicContact CE1-CB 4.35Å; Y235-P248 HydrophobicContact CE1-CG 4.45Å; Y235-P248 WeakPolarHBondContact CE1-O 3.31Å; Y235-P250 HydrophobicContact CD1-CB 4.11Å; Y235-P250 HydrophobicContact CD2-CB 4.11Å; Y235-P250 HydrophobicContact CE1-CB 3.75Å; Y235-P250 HydrophobicContact CE1-CG 4.22Å; Y235-P250 HydrophobicContact CE2-CB 3.73Å; Y235-P250 HydrophobicContact CE2-CG 4.46Å; Y235-P250 HydrophobicContact CG-CB 4.29Å
236	N	96.3	Very high	94.6	Very high	29 Å²	29	44.8 Å²	44.8	16%	0.155	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	140.4	162.6	-174.2	-8.9	0	0	0	109.2	E221 F223 E238 D239 A240 I251	E221-N236 CarbonylContact O-C 3.52Å; E221-N236 VanDerWaalsContact O-CA 3.31Å; E221-N236 WeakPolarHBondContact O-CA 3.46Å; E221-N236 PolarHBondContact O-OD1 2.76Å; E221-N236 VanDerWaalsContact O-OD1 3.09Å; F223-N236 WeakPolarHBondContact CE1-O 3.39Å; N236-E238 VanDerWaalsContact C-N 3.3Å; N236-E238 PolarHBondContact OD1-N 3.19Å; N236-D239 HydrophobicContact CB-CB 4.09Å; N236-D239 WeakPolarHBondContact CB-OD2 3.5Å; N236-A240 WeakPolarHBondContact O-CB 3.46Å; N236-A240 PolarHBondContact O-N 3.22Å; N236-I251 HydrophobicContact CB-CD1 4.21Å
237	C	96.1	Very high	94.2	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.02	27%	0.272	C	S	.	.	H	α-helix	trans	-62.6	-38	172.4	-60	0	0	0	0	111.8	Y179 E221 A240 L241	Y179-C237 PolarHBondContact OH-O 3.4Å; E221-C237 HydrophobicContact CB-CB 4.06Å; E221-C237 PolarHBondContact O-N 3.02Å; E221-C237 WeakPolarHBondContact OE2-CB 3.49Å; C237-A240 PolarHBondContact O-N 3.16Å; C237-L241 WeakPolarHBondContact O-CG 3.39Å; C237-L241 PolarHBondContact O-N 3.37Å
238	E	94.6	Very high	94.1	Very high	120 Å²	120	50.9 Å²	50.9	56%	0.561	28%	0.276	S	S	*	.	H	α-helix	trans	-69	-49.1	-177	-175.2	170.9	-162	0	0	112.1	N236 A240 L241 N242	N236-E238 VanDerWaalsContact C-N 3.3Å; N236-E238 PolarHBondContact OD1-N 3.19Å; E238-A240 PolarHBondContact O-N 2.78Å; E238-L241 PolarHBondContact O-N 3.48Å; E238-L241 VanDerWaalsContact O-N 3.12Å; E238-N242 WeakPolarHBondContact O-CB 3.37Å; E238-N242 PolarHBondContact O-N 2.83Å; E238-N242 PolarHBondContact O-ND2 2.92Å
239	D	95.4	Very high	94	Very high	70 Å²	70	56.1 Å²	56.1	37%	0.374	29%	0.293	S	S	.	.	H	α-helix	trans	-56.2	-39.4	174.6	-56.8	-21.7	0	0	0	111	N236 N242 A243 P248	N236-D239 HydrophobicContact CB-CB 4.09Å; N236-D239 WeakPolarHBondContact CB-OD2 3.5Å; D239-N242 CarbonylContact O-C 3.59Å; D239-N242 PolarHBondContact O-N 3.03Å; D239-A243 PolarHBondContact O-N 2.99Å; D239-P248 HydrophobicContact CB-CB 4.1Å
240	A	96.4	Very high	94	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-70.6	-36.4	178.3	0	0	0	0	0	113.2	Y179 I189 S199 F201 F223 N236 C237 E238 N242 A243	Y179-A240 HydrophobicContact CE1-CB 4.14Å; I189-A240 HydrophobicContact CD1-CB 3.97Å; I189-A240 VanDerWaalsContact CD1-O 3.25Å; I189-A240 WeakPolarHBondContact CD1-O 3.43Å; S199-A240 PolarHBondContact OG-O 3.07Å; F201-A240 HydrophobicContact CE1-CB 3.85Å; F201-A240 HydrophobicContact CZ-CB 4.34Å; F223-A240 HydrophobicContact CE1-CB 3.6Å; F223-A240 HydrophobicContact CZ-CB 3.74Å; N236-A240 WeakPolarHBondContact O-CB 3.46Å; N236-A240 PolarHBondContact O-N 3.22Å; C237-A240 PolarHBondContact O-N 3.16Å; E238-A240 PolarHBondContact O-N 2.78Å; A240-N242 VanDerWaalsContact C-N 3.31Å; A240-A243 WeakPolarHBondContact O-CB 3.42Å; A240-A243 PolarHBondContact O-N 3.34Å
241	L	95.7	Very high	94	Very high	35 Å²	35	52.2 Å²	52.2	18%	0.183	28%	0.28	C	S	.	.	H	α-helix	trans	-66.5	-35.2	171.9	-75.4	163.2	0	0	0	111.6	Y177 I189 I198 S199 C237 E238 A243	Y177-L241 HydrophobicContact CD1-CD2 4.33Å; Y177-L241 HydrophobicContact CD2-CD1 4.18Å; Y177-L241 HydrophobicContact CD2-CD2 4.04Å; Y177-L241 HydrophobicContact CE1-CD2 4.24Å; Y177-L241 HydrophobicContact CE2-CD1 3.67Å; Y177-L241 HydrophobicContact CE2-CD2 3.91Å; Y177-L241 HydrophobicContact CE2-CG 4.45Å; Y177-L241 HydrophobicContact CG-CD2 4.25Å; I189-L241 HydrophobicContact CD1-CD2 4.49Å; I189-L241 HydrophobicContact CG2-CD2 3.88Å; I198-L241 HydrophobicContact CD1-CD2 4.43Å; S199-L241 WeakPolarHBondContact CB-O 3.43Å; C237-L241 WeakPolarHBondContact O-CG 3.39Å; C237-L241 PolarHBondContact O-N 3.37Å; E238-L241 PolarHBondContact O-N 3.48Å; E238-L241 VanDerWaalsContact O-N 3.12Å; L241-A243 VanDerWaalsContact C-N 3.3Å; L241-A243 PolarHBondContact O-N 2.82Å
242	N	94.3	Very high	94	Very high	86 Å²	86	53.6 Å²	53.6	46%	0.46	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	6.2	178.8	-70.1	-42.8	0	0	0	114.5	E238 D239 A240 N244 V245	E238-N242 WeakPolarHBondContact O-CB 3.37Å; E238-N242 PolarHBondContact O-N 2.83Å; E238-N242 PolarHBondContact O-ND2 2.92Å; D239-N242 CarbonylContact O-C 3.59Å; D239-N242 PolarHBondContact O-N 3.03Å; A240-N242 VanDerWaalsContact C-N 3.31Å; N242-N244 PolarHBondContact O-N 2.73Å; N242-V245 WeakPolarHBondContact O-CB 3.32Å; N242-V245 PolarHBondContact O-N 2.83Å
243	A	90.7	Very high	94	Very high	7 Å²	7	59.5 Å²	59.5	6%	0.058	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.9	-170.4	0	0	0	0	0	115.5	S199 F201 D239 A240 L241 V245 T246 P248	S199-A243 WeakPolarHBondContact OG-CB 3.45Å; F201-A243 HydrophobicContact CB-CB 3.9Å; F201-A243 HydrophobicContact CD1-CB 4.1Å; F201-A243 HydrophobicContact CG-CB 4.33Å; D239-A243 PolarHBondContact O-N 2.99Å; A240-A243 WeakPolarHBondContact O-CB 3.42Å; A240-A243 PolarHBondContact O-N 3.34Å; L241-A243 VanDerWaalsContact C-N 3.3Å; L241-A243 PolarHBondContact O-N 2.82Å; A243-V245 PolarHBondContact O-N 3.35Å; A243-V245 VanDerWaalsContact O-N 3.15Å; A243-T246 WeakPolarHBondContact CA-O 3.24Å; A243-T246 CarbonylContact O-C 3.55Å; A243-T246 PolarHBondContact O-N 2.93Å; A243-P248 VanDerWaalsContact CB-CD 3.48Å; A243-P248 HydrophobicContact CB-CG 3.96Å
244	N	87	Confident	94	Very high	111 Å²	111	59.2 Å²	59.2	59%	0.594	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.1	174.7	-60.8	-20.1	0	0	0	113.5	I198 N242	I198-N244 PolarHBondContact O-ND2 3.23Å; N242-N244 PolarHBondContact O-N 2.73Å
245	V	85.6	Confident	93.9	Very high	123 Å²	123	64.3 Å²	64.3	75%	0.745	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-33	178	-174.5	0	0	0	0	111.4	N242 A243	N242-V245 WeakPolarHBondContact O-CB 3.32Å; N242-V245 PolarHBondContact O-N 2.83Å; A243-V245 PolarHBondContact O-N 3.35Å; A243-V245 VanDerWaalsContact O-N 3.15Å
246	T	88.1	Confident	93.7	Very high	102 Å²	102	65.1 Å²	65.1	63%	0.626	34%	0.336	S	S	*	.	S	Bend	trans	-157.2	123.3	-179.1	-66.1	0	0	0	0	109.7	A243 P248	A243-T246 WeakPolarHBondContact CA-O 3.24Å; A243-T246 CarbonylContact O-C 3.55Å; A243-T246 PolarHBondContact O-N 2.93Å; T246-P248 WeakPolarHBondContact O-CD 3.48Å
247	D	90.1	Very high	93.5	Very high	117 Å²	117	70.5 Å²	70.5	63%	0.626	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-53.8	119.5	175.9	-93.5	-50	0	0	0	110.6	E249	D247-E249 PolarHBondContact O-N 2.81Å
248	P	93.7	Very high	93.3	Very high	15 Å²	15	76.9 Å²	76.9	10%	0.097	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-73.5	129.3	-174.2	28.7	-35.9	0	0	0	111	F201 Y235 D239 A243 T246	F201-P248 HydrophobicContact CB-CG 4Å; F201-P248 HydrophobicContact CD1-CG 3.86Å; F201-P248 HydrophobicContact CD2-CG 3.59Å; F201-P248 HydrophobicContact CE1-CG 4.2Å; F201-P248 HydrophobicContact CE2-CG 3.95Å; F201-P248 HydrophobicContact CG-CG 3.54Å; F201-P248 HydrophobicContact CZ-CG 4.25Å; Y235-P248 HydrophobicContact CD1-CB 4.28Å; Y235-P248 HydrophobicContact CE1-CB 4.35Å; Y235-P248 HydrophobicContact CE1-CG 4.45Å; Y235-P248 WeakPolarHBondContact CE1-O 3.31Å; D239-P248 HydrophobicContact CB-CB 4.1Å; A243-P248 VanDerWaalsContact CB-CD 3.48Å; A243-P248 HydrophobicContact CB-CG 3.96Å; T246-P248 WeakPolarHBondContact O-CD 3.48Å
249	E	93.2	Very high	93.1	Very high	154 Å²	154	74.1 Å²	74.1	72%	0.72	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-85.5	140.2	169.3	-65.9	-139.7	136.1	0	0	111	D247 I251	D247-E249 PolarHBondContact O-N 2.81Å; E249-I251 PolarHBondContact O-N 2.92Å
250	P	95	Very high	93	Very high	18 Å²	18	71.9 Å²	71.9	12%	0.117	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-74.9	120	174.9	26.9	-30.4	0	0	0	111.2	R233 V234 Y235 K252 K253	R233-P250 HydrophobicContact CB-CB 3.94Å; R233-P250 HydrophobicContact CB-CG 4.42Å; R233-P250 HydrophobicContact CG-CB 4.43Å; R233-P250 HydrophobicContact CG-CG 4.4Å; V234-P250 CarbonylContact O-C 3.51Å; V234-P250 VanDerWaalsContact O-C 3.23Å; V234-P250 WeakPolarHBondContact O-CA 3.41Å; V234-P250 VanDerWaalsContact O-CB 3.28Å; V234-P250 WeakPolarHBondContact O-CB 3.18Å; Y235-P250 HydrophobicContact CD1-CB 4.11Å; Y235-P250 HydrophobicContact CD2-CB 4.11Å; Y235-P250 HydrophobicContact CE1-CB 3.75Å; Y235-P250 HydrophobicContact CE1-CG 4.22Å; Y235-P250 HydrophobicContact CE2-CB 3.73Å; Y235-P250 HydrophobicContact CE2-CG 4.46Å; Y235-P250 HydrophobicContact CG-CB 4.29Å; P250-K252 PolarHBondContact O-N 2.78Å; P250-K253 HydrophobicContact CG-CD 4.33Å; P250-K253 HydrophobicContact CG-CG 3.98Å
251	I	95.8	Very high	92.8	Very high	69 Å²	69	72.1 Å²	72.1	35%	0.354	39%	0.389	S	S	.	.	S	Bend	trans	-40.7	-43.2	173.8	-48.8	173.8	0	0	0	111.8	Y222 V234 N236 E249	Y222-I251 HydrophobicContact CD1-CD1 3.79Å; Y222-I251 HydrophobicContact CE1-CD1 3.8Å; V234-I251 PolarHBondContact O-N 2.81Å; N236-I251 HydrophobicContact CB-CD1 4.21Å; E249-I251 PolarHBondContact O-N 2.92Å
252	K	96	Very high	92.8	Very high	52 Å²	52	73.9 Å²	73.9	23%	0.226	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	150.6	175.5	-56.7	-64.9	167.3	178.6	0	112.5	R233 V234 P250 L254 R290 A291 S292	R233-K252 WeakPolarHBondContact CA-O 3.26Å; V234-K252 HydrophobicContact CB-CB 4.18Å; V234-K252 HydrophobicContact CG2-CB 4.04Å; V234-K252 PolarHBondContact N-O 2.88Å; P250-K252 PolarHBondContact O-N 2.78Å; K252-L254 HydrophobicContact CB-CD2 4.01Å; K252-L254 HydrophobicContact CB-CG 4.35Å; K252-R290 VanDerWaalsContact CE-O 3.31Å; K252-R290 WeakPolarHBondContact CE-O 3.15Å; K252-R290 WeakPolarHBondContact CG-O 3.08Å; K252-A291 WeakPolarHBondContact CE-O 3.44Å; K252-A291 PolarHBondContact NZ-O 3.49Å; K252-S292 WeakPolarHBondContact CE-O 3.27Å; K252-S292 VanDerWaalsContact NZ-C 3.29Å; K252-S292 PolarHBondContact NZ-O 3.41Å
253	K	96.1	Very high	92.9	Very high	124 Å²	124	69.9 Å²	69.9	54%	0.539	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	83.9	176	-64.2	171.4	-170.1	167.4	0	108.7	V231 I232 P250	V231-K253 HydrophobicContact CG1-CB 3.86Å; I232-K253 CarbonylContact O-C 3.57Å; I232-K253 WeakPolarHBondContact O-CA 3.46Å; P250-K253 HydrophobicContact CG-CD 4.33Å; P250-K253 HydrophobicContact CG-CG 3.98Å
254	L	97.4	Very high	93.2	Very high	7 Å²	7	74.3 Å²	74.3	4%	0.037	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	135.5	-175	-46.7	175.7	0	0	0	110.8	V231 I232 V234 K252 I275 W288	V231-L254 WeakPolarHBondContact CA-O 3.13Å; I232-L254 HydrophobicContact CB-CB 4.25Å; I232-L254 PolarHBondContact N-O 3.2Å; I232-L254 PolarHBondContact O-N 3.46Å; V234-L254 HydrophobicContact CG2-CD1 4.41Å; K252-L254 HydrophobicContact CB-CD2 4.01Å; K252-L254 HydrophobicContact CB-CG 4.35Å; L254-I275 HydrophobicContact CD1-CB 4.16Å; L254-I275 HydrophobicContact CD1-CD1 3.85Å; L254-I275 HydrophobicContact CD1-CG2 4.02Å; L254-W288 HydrophobicContact CB-CD2 4.3Å; L254-W288 HydrophobicContact CB-CZ2 4.46Å; L254-W288 HydrophobicContact CD1-CB 3.94Å; L254-W288 HydrophobicContact CD1-CD2 4.02Å; L254-W288 HydrophobicContact CD1-CE3 4.23Å; L254-W288 HydrophobicContact CD1-CG 3.93Å; L254-W288 HydrophobicContact CD2-CB 4.32Å; L254-W288 HydrophobicContact CD2-CG 4.06Å; L254-W288 HydrophobicContact CG-CG 4.41Å
255	K	96.2	Very high	93.7	Very high	108 Å²	108	71 Å²	71	47%	0.47	37%	0.37	S	S	.	.			trans	-160.3	156.1	177.4	51	165.9	172.2	166.9	0	111.1	V231 L257	V231-K255 HydrophobicContact CG2-CB 4.34Å; V231-K255 HydrophobicContact CG2-CD 4.29Å; K255-L257 HydrophobicContact CD-CD2 3.99Å; K255-L257 HydrophobicContact CG-CD2 4.36Å; K255-L257 PolarHBondContact O-N 2.97Å
256	D	95.2	Very high	94.3	Very high	17 Å²	17	65.2 Å²	65.2	9%	0.091	34%	0.335	C	S	.	.			trans	-81.3	106.8	169.1	173.8	3.8	0	0	0	109.3	V258 T259 G260 W263 Y286	D256-V258 VanDerWaalsContact C-N 3.28Å; D256-V258 WeakPolarHBondContact OD1-CA 3.31Å; D256-V258 PolarHBondContact OD1-N 2.93Å; D256-T259 PolarHBondContact OD1-N 3.4Å; D256-T259 WeakPolarHBondContact OD2-CA 3.06Å; D256-T259 WeakPolarHBondContact OD2-CB 3.33Å; D256-T259 WeakPolarHBondContact OD2-CG2 3.26Å; D256-T259 PolarHBondContact OD2-N 3.48Å; D256-T259 PolarHBondContact OD2-OG1 3.26Å; D256-G260 WeakPolarHBondContact O-CA 3.49Å; D256-G260 PolarHBondContact O-N 2.81Å; D256-W263 HydrophobicContact CB-CH2 3.84Å; D256-W263 HydrophobicContact CB-CZ2 3.91Å; D256-Y286 HydrophobicContact CB-CE1 4.18Å; D256-Y286 PolarHBondContact OD2-OH 3.42Å
257	L	91.3	Very high	94.7	Very high	142 Å²	142	61 Å²	61	74%	0.743	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-17.4	178	-70.5	172.5	0	0	0	113.6	K255	K255-L257 HydrophobicContact CD-CD2 3.99Å; K255-L257 HydrophobicContact CG-CD2 4.36Å; K255-L257 PolarHBondContact O-N 2.97Å
258	V	92.3	Very high	95.1	Very high	137 Å²	137	56.1 Å²	56.1	83%	0.83	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-52.3	-170.3	-176.5	0	0	0	0	111.3	D256	D256-V258 VanDerWaalsContact C-N 3.28Å; D256-V258 WeakPolarHBondContact OD1-CA 3.31Å; D256-V258 PolarHBondContact OD1-N 2.93Å
259	T	90.3	Very high	95.2	Very high	63 Å²	63	55.6 Å²	55.6	39%	0.387	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-15.1	-179.3	94.3	0	0	0	0	113.6	D256 S261	D256-T259 PolarHBondContact OD1-N 3.4Å; D256-T259 WeakPolarHBondContact OD2-CA 3.06Å; D256-T259 WeakPolarHBondContact OD2-CB 3.33Å; D256-T259 WeakPolarHBondContact OD2-CG2 3.26Å; D256-T259 PolarHBondContact OD2-N 3.48Å; D256-T259 PolarHBondContact OD2-OG1 3.26Å; T259-S261 VanDerWaalsContact C-N 3.26Å; T259-S261 PolarHBondContact O-N 3.38Å; T259-S261 PolarHBondContact OG1-N 2.95Å; T259-S261 PolarHBondContact OG1-OG 3.1Å
260	G	91.9	Very high	95	Very high	22 Å²	22	48.8 Å²	48.8	23%	0.227	25%	0.25	C	S	.	.			trans	59.6	37.4	-175.7	0	0	0	0	0	112.5	R230 D256	R230-G260 WeakPolarHBondContact CD-O 3.04Å; R230-G260 PolarHBondContact NH1-O 2.76Å; D256-G260 WeakPolarHBondContact O-CA 3.49Å; D256-G260 PolarHBondContact O-N 2.81Å
261	S	92.6	Very high	94.7	Very high	5 Å²	5	50.2 Å²	50.2	4%	0.035	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-58.6	146.4	178.1	-83.7	0	0	0	0	112.5	R230 T259 S279	R230-S261 WeakPolarHBondContact CB-O 3.42Å; T259-S261 VanDerWaalsContact C-N 3.26Å; T259-S261 PolarHBondContact O-N 3.38Å; T259-S261 PolarHBondContact OG1-N 2.95Å; T259-S261 PolarHBondContact OG1-OG 3.1Å; S261-S279 WeakPolarHBondContact CB-OG 3.16Å; S261-S279 PolarHBondContact OG-OG 3.29Å
262	H	95.8	Very high	94.5	Very high	73 Å²	73	47 Å²	47	34%	0.338	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-96.3	145.4	166.3	-54.5	81.6	0	0	0	109.2	R230 M280	R230-H262 HydrophobicContact CG-CB 4.25Å; R230-H262 WeakPolarHBondContact CG-CD2 3.36Å; R230-H262 PolarHBondContact NE-CE1 3.03Å; R230-H262 PolarHBondContact NE-NE2 3.12Å; R230-H262 PolarHBondContact NH2-CE1 3.37Å; H262-M280 HydrophobicContact CB-CE 3.42Å; H262-M280 VanDerWaalsContact CB-CE 3.42Å; H262-M280 PolarHBondContact O-N 2.87Å
263	W	97.4	Very high	94.4	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	131.1	-173.3	-47.8	109	0	0	0	113	K212 N226 R230 I232 D256 A277 G278 Y286 W288	K212-W263 PolarHBondContact NZ-O 2.59Å; N226-W263 PolarHBondContact ND2-O 2.91Å; R230-W263 PolarHBondContact O-NE1 2.83Å; I232-W263 HydrophobicContact CD1-CD2 4.14Å; I232-W263 HydrophobicContact CD1-CG 3.92Å; I232-W263 VanDerWaalsContact CG1-CD1 3.49Å; I232-W263 HydrophobicContact CG1-CG 4.06Å; D256-W263 HydrophobicContact CB-CH2 3.84Å; D256-W263 HydrophobicContact CB-CZ2 3.91Å; W263-A277 HydrophobicContact CB-CB 4.5Å; W263-A277 HydrophobicContact CD2-CB 3.79Å; W263-A277 HydrophobicContact CE3-CB 3.47Å; W263-A277 VanDerWaalsContact CE3-CB 3.47Å; W263-A277 HydrophobicContact CG-CB 4.21Å; W263-A277 HydrophobicContact CZ3-CB 4.02Å; W263-G278 CarbonylContact C-O 3.51Å; W263-G278 WeakPolarHBondContact CA-O 3.47Å; W263-Y286 HydrophobicContact CH2-CD1 4.07Å; W263-Y286 HydrophobicContact CH2-CD2 4.16Å; W263-Y286 HydrophobicContact CH2-CE1 4.31Å; W263-Y286 HydrophobicContact CH2-CE2 4.41Å; W263-Y286 AromaticContact CH2-CG 4Å; W263-Y286 HydrophobicContact CH2-CG 4Å; W263-Y286 HydrophobicContact CZ3-CD1 4.49Å; W263-Y286 AromaticContact CZ3-CD2 3.78Å; W263-Y286 HydrophobicContact CZ3-CD2 3.78Å; W263-Y286 HydrophobicContact CZ3-CE2 4.19Å; W263-Y286 AromaticContact CZ3-CG 3.97Å; W263-Y286 HydrophobicContact CZ3-CG 3.97Å; W263-W288 AromaticContact CH2-CH2 3.59Å; W263-W288 HydrophobicContact CH2-CH2 3.59Å; W263-W288 HydrophobicContact CH2-CZ2 4.23Å; W263-W288 AromaticContact CZ2-CH2 3.82Å; W263-W288 HydrophobicContact CZ2-CH2 3.82Å; W263-W288 HydrophobicContact CZ2-CZ2 4.29Å; W263-W288 HydrophobicContact CZ3-CH2 4.08Å
264	R	96.7	Very high	94.4	Very high	100 Å²	100	43.2 Å²	43.2	38%	0.377	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-61.7	179	179.6	68.3	-176.5	-164.6	-4.2	110.1	G278 M280 L307 L308	R264-G278 PolarHBondContact N-O 2.84Å; R264-M280 HydrophobicContact CB-CG 3.64Å; R264-M280 HydrophobicContact CG-CG 4.43Å; R264-L307 HydrophobicContact CB-CD2 4.32Å; R264-L307 HydrophobicContact CG-CD2 4.47Å; R264-L307 WeakPolarHBondContact CG-O 3.48Å; R264-L308 WeakPolarHBondContact CG-O 3.43Å; R264-L308 PolarHBondContact NE-O 3.36Å; R264-L308 PolarHBondContact NH2-O 3.34Å
265	K	97.5	Very high	94.5	Very high	43 Å²	43	42.9 Å²	42.9	19%	0.187	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	148	179.6	171.1	73.7	178.7	177.2	0	106.6	E215 G278 D309 V310	E215-K265 IonicContact OE1-NZ 3.24Å; E215-K265 PolarHBondContact OE1-NZ 3.3Å; E215-K265 IonicContact OE2-NZ 2.7Å; E215-K265 PolarHBondContact OE2-NZ 2.89Å; K265-G278 PolarHBondContact O-N 2.94Å; K265-D309 WeakPolarHBondContact CG-OD1 3.33Å; K265-V310 HydrophobicContact CB-CG1 4.06Å; K265-V310 HydrophobicContact CG-CG1 3.93Å; K265-V310 WeakPolarHBondContact CG-O 3.43Å
266	C	98	Very high	94.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	158.6	174	-52.7	0	0	0	0	108.7	L224 I232 C276 A277	L224-C266 HydrophobicContact CD1-CB 3.75Å; L224-C266 HydrophobicContact CD2-CB 4.34Å; I232-C266 VanDerWaalsContact CD1-SG 3.57Å; C266-C276 CarbonylContact C-O 3.53Å; C266-C276 VanDerWaalsContact CA-O 3.23Å; C266-C276 WeakPolarHBondContact CA-O 3.46Å; C266-C276 WeakPolarHBondContact CB-O 3.44Å; C266-A277 HydrophobicContact CB-CB 4.48Å
267	C	97.4	Very high	94.7	Very high	14 Å²	14	36.9 Å²	36.9	10%	0.095	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	159.1	177.2	73	0	0	0	0	110.8	I275 C276	C267-I275 CarbonylContact O-C 3.58Å; C267-I275 WeakPolarHBondContact O-CA 3.44Å; C267-C276 HydrophobicContact CB-CB 4.48Å; C267-C276 WeakPolarHBondContact CB-SG 3.44Å; C267-C276 PolarHBondContact N-O 2.86Å; C267-C276 PolarHBondContact N-SG 3.14Å; C267-C276 PolarHBondContact O-N 2.81Å; C267-C276 WeakPolarHBondContact SG-CB 3.39Å; C267-C276 CovalentContact SG-SG 2.04Å; C267-C276 PolarHBondContact SG-SG 3.46Å
268	F	97.4	Very high	95	Very high	15 Å²	15	30.1 Å²	30.1	7%	0.066	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	159.9	159.9	-72	-88.6	0	0	0	109.9	F216 A217 L224 V234 Y274 I275	F216-F268 VanDerWaalsContact C-CD2 3.49Å; A217-F268 HydrophobicContact CB-CB 4.35Å; A217-F268 HydrophobicContact CB-CD1 3.96Å; A217-F268 HydrophobicContact CB-CD2 3.94Å; A217-F268 HydrophobicContact CB-CE1 4.16Å; A217-F268 HydrophobicContact CB-CE2 4.13Å; A217-F268 HydrophobicContact CB-CG 3.84Å; A217-F268 HydrophobicContact CB-CZ 4.24Å; A217-F268 VanDerWaalsContact N-CD2 3.34Å; L224-F268 HydrophobicContact CB-CE2 3.98Å; L224-F268 HydrophobicContact CB-CZ 4Å; L224-F268 HydrophobicContact CD2-CD2 3.9Å; L224-F268 HydrophobicContact CD2-CE1 4.48Å; L224-F268 HydrophobicContact CD2-CE2 3.6Å; L224-F268 HydrophobicContact CD2-CG 4.47Å; L224-F268 HydrophobicContact CD2-CZ 3.93Å; L224-F268 HydrophobicContact CG-CD2 4.27Å; L224-F268 HydrophobicContact CG-CE2 3.63Å; L224-F268 HydrophobicContact CG-CZ 4.11Å; V234-F268 HydrophobicContact CG1-CZ 4.38Å; F268-Y274 CarbonylContact C-O 3.5Å; F268-Y274 WeakPolarHBondContact CA-O 3.4Å; F268-I275 HydrophobicContact CD1-CD1 4.29Å; F268-I275 HydrophobicContact CD1-CG1 3.65Å; F268-I275 HydrophobicContact CE1-CD1 3.78Å; F268-I275 HydrophobicContact CE1-CG1 3.67Å; F268-I275 HydrophobicContact CG-CG1 4.46Å; F268-I275 HydrophobicContact CZ-CD1 4.4Å; F268-I275 HydrophobicContact CZ-CG1 4.49Å
269	S	95.4	Very high	95.2	Very high	4 Å²	4	23.6 Å²	23.6	3%	0.028	12%	0.121	C	C	.	.			trans	-65	170.8	157.8	52.7	0	0	0	0	111.8	D271 G272 E273 Y274	S269-D271 VanDerWaalsContact C-N 3.34Å; S269-D271 VanDerWaalsContact CB-OD1 3.23Å; S269-D271 WeakPolarHBondContact CB-OD1 3.35Å; S269-D271 PolarHBondContact O-N 2.88Å; S269-D271 PolarHBondContact OG-OD1 2.77Å; S269-G272 PolarHBondContact O-N 3.26Å; S269-G272 PolarHBondContact OG-N 3.28Å; S269-E273 PolarHBondContact OG-N 2.85Å; S269-Y274 PolarHBondContact N-O 3.07Å; S269-Y274 PolarHBondContact OG-N 2.71Å; S269-Y274 PolarHBondContact OG-O 2.92Å
270	G	90.2	Very high	95.4	Very high	10 Å²	10	24.4 Å²	24.4	10%	0.103	12%	0.121	C	C	.	.	S	Bend	trans	-61.3	-38.4	179.4	0	0	0	0	0	114.6	R218 P314	R218-G270 WeakPolarHBondContact CB-O 3.45Å; G270-P314 WeakPolarHBondContact CA-O 3.45Å
271	D	88.3	Confident	95.4	Very high	49 Å²	49	30 Å²	30	26%	0.262	14%	0.139	S	C	.	.	S	Bend	trans	-80.2	-17.7	176	55.4	10.8	0	0	0	114.1	R219 S269 E273	R219-D271 WeakPolarHBondContact CB-O 3.13Å; S269-D271 VanDerWaalsContact C-N 3.34Å; S269-D271 VanDerWaalsContact CB-OD1 3.23Å; S269-D271 WeakPolarHBondContact CB-OD1 3.35Å; S269-D271 PolarHBondContact O-N 2.88Å; S269-D271 PolarHBondContact OG-OD1 2.77Å; D271-E273 PolarHBondContact OD1-N 3.09Å
272	G	92.3	Very high	95.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	84.5	-2.5	-173.4	0	0	0	0	0	115.1	S269 R290	S269-G272 PolarHBondContact O-N 3.26Å; S269-G272 PolarHBondContact OG-N 3.28Å; G272-R290 WeakPolarHBondContact O-CD 3.3Å; G272-R290 PolarHBondContact O-NE 2.73Å; G272-R290 VanDerWaalsContact O-NE 3.11Å
273	E	93	Very high	95.5	Very high	65 Å²	65	29.6 Å²	29.6	30%	0.304	14%	0.137	S	C	.	.	S	Bend	trans	-81.5	-15	-175.5	-67.7	-45.7	114.1	0	0	114.9	S269 D271 R290	S269-E273 PolarHBondContact OG-N 2.85Å; D271-E273 PolarHBondContact OD1-N 3.09Å; E273-R290 WeakPolarHBondContact O-CB 3.35Å; E273-R290 PolarHBondContact O-N 3.46Å; E273-R290 IonicContact OE1-CZ 2.98Å; E273-R290 VanDerWaalsContact OE1-CZ 3.29Å; E273-R290 IonicContact OE1-NE 2.71Å; E273-R290 PolarHBondContact OE1-NE 3.45Å; E273-R290 IonicContact OE1-NH2 3.07Å; E273-R290 PolarHBondContact OE1-NH2 2.88Å; E273-R290 IonicContact OE2-CZ 3.24Å; E273-R290 IonicContact OE2-NE 2.79Å; E273-R290 IonicContact OE2-NH2 3.25Å; E273-R290 PolarHBondContact OE2-NH2 2.7Å
274	Y	96.7	Very high	95.4	Very high	32 Å²	32	29.7 Å²	29.7	13%	0.125	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	153.5	174	-59.1	-86.4	0	0	0	112.1	N12 Y13 F268 S269 W288 E289 V296 W312	N12-Y274 HydrophobicContact CB-CE2 3.68Å; Y13-Y274 AromaticContact CD1-CE1 3.88Å; Y13-Y274 HydrophobicContact CD1-CE1 3.88Å; Y13-Y274 AromaticContact CD1-CZ 3.84Å; Y13-Y274 HydrophobicContact CG-CE1 4.49Å; F268-Y274 CarbonylContact C-O 3.5Å; F268-Y274 WeakPolarHBondContact CA-O 3.4Å; S269-Y274 PolarHBondContact N-O 3.07Å; S269-Y274 PolarHBondContact OG-N 2.71Å; S269-Y274 PolarHBondContact OG-O 2.92Å; Y274-W288 CarbonylContact C-O 3.53Å; Y274-W288 VanDerWaalsContact CA-O 3.25Å; Y274-W288 WeakPolarHBondContact CA-O 3.1Å; Y274-E289 HydrophobicContact CD1-CB 4.4Å; Y274-E289 HydrophobicContact CE1-CB 4.28Å; Y274-V296 HydrophobicContact CE1-CG2 4.38Å; Y274-W312 VanDerWaalsContact CB-CH2 3.45Å; Y274-W312 HydrophobicContact CD2-CH2 4.4Å; Y274-W312 HydrophobicContact CG-CH2 4.05Å
275	I	98.2	Very high	95.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123.5	175.8	-68.6	166.3	0	0	0	108.7	L224 V234 L254 C267 F268 W288 R290	L224-I275 HydrophobicContact CD2-CD1 4.45Å; L224-I275 HydrophobicContact CD2-CG1 4.25Å; L224-I275 HydrophobicContact CD2-CG2 3.79Å; V234-I275 HydrophobicContact CG1-CD1 4.35Å; V234-I275 HydrophobicContact CG2-CD1 3.4Å; L254-I275 HydrophobicContact CD1-CB 4.16Å; L254-I275 HydrophobicContact CD1-CD1 3.85Å; L254-I275 HydrophobicContact CD1-CG2 4.02Å; C267-I275 CarbonylContact O-C 3.58Å; C267-I275 WeakPolarHBondContact O-CA 3.44Å; F268-I275 HydrophobicContact CD1-CD1 4.29Å; F268-I275 HydrophobicContact CD1-CG1 3.65Å; F268-I275 HydrophobicContact CE1-CD1 3.78Å; F268-I275 HydrophobicContact CE1-CG1 3.67Å; F268-I275 HydrophobicContact CG-CG1 4.46Å; F268-I275 HydrophobicContact CZ-CD1 4.4Å; F268-I275 HydrophobicContact CZ-CG1 4.49Å; I275-W288 PolarHBondContact N-O 2.71Å; I275-W288 PolarHBondContact O-N 3.43Å; I275-R290 HydrophobicContact CD1-CB 4.37Å; I275-R290 HydrophobicContact CD1-CG 4.36Å
276	C	97.5	Very high	95.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	141.3	168.3	94	0	0	0	0	110.8	C266 C267 I285 Y286 L287 W312 I319	C266-C276 CarbonylContact C-O 3.53Å; C266-C276 VanDerWaalsContact CA-O 3.23Å; C266-C276 WeakPolarHBondContact CA-O 3.46Å; C266-C276 WeakPolarHBondContact CB-O 3.44Å; C267-C276 HydrophobicContact CB-CB 4.48Å; C267-C276 WeakPolarHBondContact CB-SG 3.44Å; C267-C276 PolarHBondContact N-O 2.86Å; C267-C276 PolarHBondContact N-SG 3.14Å; C267-C276 PolarHBondContact O-N 2.81Å; C267-C276 WeakPolarHBondContact SG-CB 3.39Å; C267-C276 CovalentContact SG-SG 2.04Å; C267-C276 PolarHBondContact SG-SG 3.46Å; C276-I285 HydrophobicContact CB-CG2 4.21Å; C276-Y286 WeakPolarHBondContact CA-O 3.49Å; C276-L287 HydrophobicContact CB-CD2 3.95Å; C276-W312 HydrophobicContact CB-CE3 4.03Å; C276-W312 HydrophobicContact CB-CZ3 4.26Å; C276-I319 HydrophobicContact CB-CD1 4.21Å
277	A	98.3	Very high	95.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	128.4	161.6	0	0	0	0	0	112.5	I232 W263 C266 Y286 W288	I232-A277 HydrophobicContact CD1-CB 3.39Å; W263-A277 HydrophobicContact CB-CB 4.5Å; W263-A277 HydrophobicContact CD2-CB 3.79Å; W263-A277 HydrophobicContact CE3-CB 3.47Å; W263-A277 VanDerWaalsContact CE3-CB 3.47Å; W263-A277 HydrophobicContact CG-CB 4.21Å; W263-A277 HydrophobicContact CZ3-CB 4.02Å; C266-A277 HydrophobicContact CB-CB 4.48Å; A277-Y286 PolarHBondContact N-O 3.1Å; A277-Y286 PolarHBondContact O-N 2.97Å; A277-W288 HydrophobicContact CB-CH2 4.12Å; A277-W288 HydrophobicContact CB-CZ3 3.6Å
278	G	97.5	Very high	95.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	133.2	176.5	0	0	0	0	0	112.8	W263 R264 K265	W263-G278 CarbonylContact C-O 3.51Å; W263-G278 WeakPolarHBondContact CA-O 3.47Å; R264-G278 PolarHBondContact N-O 2.84Å; K265-G278 PolarHBondContact O-N 2.94Å
279	S	96.5	Very high	95.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	139.2	175.1	-176.3	0	0	0	0	112.1	S261 K281 S284	S261-S279 WeakPolarHBondContact CB-OG 3.16Å; S261-S279 PolarHBondContact OG-OG 3.29Å; S279-K281 PolarHBondContact O-N 3.29Å; S279-K281 PolarHBondContact OG-N 2.85Å; S279-K281 VanDerWaalsContact OG-N 3.14Å; S279-S284 PolarHBondContact N-O 3.18Å
280	M	94.7	Very high	95.5	Very high	79 Å²	79	26.7 Å²	26.7	39%	0.389	13%	0.125	S	C	.	.	S	Bend	trans	-74.2	-12.1	168.5	-68.9	-158.6	-63.9	0	0	113.5	K212 H262 R264	K212-M280 PolarHBondContact NZ-SD 3.31Å; H262-M280 HydrophobicContact CB-CE 3.42Å; H262-M280 VanDerWaalsContact CB-CE 3.42Å; H262-M280 PolarHBondContact O-N 2.87Å; R264-M280 HydrophobicContact CB-CG 3.64Å; R264-M280 HydrophobicContact CG-CG 4.43Å
281	K	93.1	Very high	95.7	Very high	140 Å²	140	28.8 Å²	28.8	61%	0.609	14%	0.141	S	C	*	.	S	Bend	trans	-89.1	-31.3	-172.9	-174	-174.7	173.6	-168	0	113.3	S279	S279-K281 PolarHBondContact O-N 3.29Å; S279-K281 PolarHBondContact OG-N 2.85Å; S279-K281 VanDerWaalsContact OG-N 3.14Å
282	Q	94	Very high	96.1	Very high	65 Å²	65	28.8 Å²	28.8	30%	0.304	15%	0.145	S	C	.	.	S	Bend	trans	-159.6	159	-171.3	60.8	-173.6	56.4	0	0	109.2	S284 E305	Q282-S284 VanDerWaalsContact C-N 3.29Å; Q282-S284 PolarHBondContact NE2-OG 2.9Å; Q282-S284 PolarHBondContact O-N 2.93Å; Q282-E305 CarbonylContact C-O 3.44Å; Q282-E305 WeakPolarHBondContact CA-O 3.33Å
283	H	95.3	Very high	96.2	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.019	16%	0.156	C	C	.	.	S	Bend	trans	-69.6	86.8	170.7	-170	-170.9	0	0	0	109.7	G301 E305 S321 S323 S332 W334	H283-G301 PolarHBondContact O-N 3.03Å; H283-E305 HydrophobicContact CB-CB 4.12Å; H283-E305 PolarHBondContact N-O 3.27Å; H283-E305 IonicContact ND1-OE2 3.29Å; H283-S321 PolarHBondContact NE2-OG 3.23Å; H283-S323 WeakPolarHBondContact ND1-CB 3.36Å; H283-S332 PolarHBondContact CE1-OG 3.41Å; H283-W334 AromaticContact NE2-CZ2 3.91Å
284	S	96.2	Very high	96.4	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	136.9	171.3	-56.3	0	0	0	0	110.5	S279 Q282 L299 H300	S279-S284 PolarHBondContact N-O 3.18Å; Q282-S284 VanDerWaalsContact C-N 3.29Å; Q282-S284 PolarHBondContact NE2-OG 2.9Å; Q282-S284 PolarHBondContact O-N 2.93Å; S284-L299 CarbonylContact C-O 3.54Å; S284-L299 WeakPolarHBondContact CA-O 3.23Å; S284-L299 WeakPolarHBondContact CB-O 3.36Å; S284-H300 PolarHBondContact OG-ND1 3.17Å
285	I	97.8	Very high	96.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121.4	-175.6	-57.5	154.9	0	0	0	107.1	C276 L287 I298 L299 L307 V310 I319	C276-I285 HydrophobicContact CB-CG2 4.21Å; I285-L287 HydrophobicContact CG2-CD2 4.26Å; I285-I298 WeakPolarHBondContact O-CA 3.11Å; I285-L299 HydrophobicContact CB-CB 4.29Å; I285-L299 PolarHBondContact N-O 3.08Å; I285-L299 PolarHBondContact O-N 2.83Å; I285-L307 HydrophobicContact CG1-CD1 4.48Å; I285-V310 HydrophobicContact CD1-CG2 3.94Å; I285-V310 HydrophobicContact CG1-CG2 4.29Å; I285-V310 HydrophobicContact CG2-CG2 4.48Å; I285-I319 HydrophobicContact CD1-CG2 4.14Å; I285-I319 HydrophobicContact CG2-CD1 4.46Å
286	Y	97.9	Very high	96.2	Very high	9 Å²	9	35.1 Å²	35.1	4%	0.035	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	136.5	-178.5	-71.1	-123.9	0	0	0	108	D256 W263 C276 A277 W288 L295 I298	D256-Y286 HydrophobicContact CB-CE1 4.18Å; D256-Y286 PolarHBondContact OD2-OH 3.42Å; W263-Y286 HydrophobicContact CH2-CD1 4.07Å; W263-Y286 HydrophobicContact CH2-CD2 4.16Å; W263-Y286 HydrophobicContact CH2-CE1 4.31Å; W263-Y286 HydrophobicContact CH2-CE2 4.41Å; W263-Y286 AromaticContact CH2-CG 4Å; W263-Y286 HydrophobicContact CH2-CG 4Å; W263-Y286 HydrophobicContact CZ3-CD1 4.49Å; W263-Y286 AromaticContact CZ3-CD2 3.78Å; W263-Y286 HydrophobicContact CZ3-CD2 3.78Å; W263-Y286 HydrophobicContact CZ3-CE2 4.19Å; W263-Y286 AromaticContact CZ3-CG 3.97Å; W263-Y286 HydrophobicContact CZ3-CG 3.97Å; C276-Y286 WeakPolarHBondContact CA-O 3.49Å; A277-Y286 PolarHBondContact N-O 3.1Å; A277-Y286 PolarHBondContact O-N 2.97Å; Y286-W288 HydrophobicContact CD1-CH2 4.11Å; Y286-W288 HydrophobicContact CD1-CZ2 4.17Å; Y286-W288 AromaticContact CG-CH2 4Å; Y286-W288 HydrophobicContact CG-CH2 4Å; Y286-W288 HydrophobicContact CG-CZ3 4.5Å; Y286-L295 HydrophobicContact CD1-CD1 3.89Å; Y286-L295 HydrophobicContact CD1-CD2 4.24Å; Y286-L295 HydrophobicContact CG-CD1 4.39Å; Y286-I298 HydrophobicContact CD1-CD1 3.93Å; Y286-I298 HydrophobicContact CD1-CG1 3.9Å; Y286-I298 HydrophobicContact CD2-CG2 3.98Å; Y286-I298 HydrophobicContact CE1-CD1 3.59Å; Y286-I298 HydrophobicContact CE1-CG1 4.09Å; Y286-I298 HydrophobicContact CE2-CG2 3.97Å; Y286-I298 HydrophobicContact CG-CG1 4.2Å; Y286-I298 HydrophobicContact CG-CG2 4.31Å
287	L	97.6	Very high	96.1	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	116.5	-177.7	-60.5	179.6	0	0	0	109.7	P14 C276 I285 V296 K297 L299 W312 I319	P14-L287 HydrophobicContact CG-CD1 4.08Å; C276-L287 HydrophobicContact CB-CD2 3.95Å; I285-L287 HydrophobicContact CG2-CD2 4.26Å; L287-V296 PolarHBondContact O-N 3.37Å; L287-K297 HydrophobicContact CB-CB 4.29Å; L287-K297 HydrophobicContact CD1-CB 4.15Å; L287-K297 PolarHBondContact N-O 2.79Å; L287-K297 PolarHBondContact O-N 2.86Å; L287-L299 HydrophobicContact CD1-CD1 4.1Å; L287-L299 HydrophobicContact CD1-CG 4.27Å; L287-W312 HydrophobicContact CD2-CH2 4.15Å; L287-W312 HydrophobicContact CD2-CZ3 3.72Å; L287-I319 HydrophobicContact CD2-CD1 3.62Å
288	W	97.8	Very high	96	Very high	10 Å²	10	40.6 Å²	40.6	4%	0.038	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	147.3	172.3	-62.7	-100	0	0	0	111.1	I232 L254 W263 Y274 I275 A277 Y286 T294 L295	I232-W288 HydrophobicContact CD1-CZ3 4.47Å; L254-W288 HydrophobicContact CB-CD2 4.3Å; L254-W288 HydrophobicContact CB-CZ2 4.46Å; L254-W288 HydrophobicContact CD1-CB 3.94Å; L254-W288 HydrophobicContact CD1-CD2 4.02Å; L254-W288 HydrophobicContact CD1-CE3 4.23Å; L254-W288 HydrophobicContact CD1-CG 3.93Å; L254-W288 HydrophobicContact CD2-CB 4.32Å; L254-W288 HydrophobicContact CD2-CG 4.06Å; L254-W288 HydrophobicContact CG-CG 4.41Å; W263-W288 AromaticContact CH2-CH2 3.59Å; W263-W288 HydrophobicContact CH2-CH2 3.59Å; W263-W288 HydrophobicContact CH2-CZ2 4.23Å; W263-W288 AromaticContact CZ2-CH2 3.82Å; W263-W288 HydrophobicContact CZ2-CH2 3.82Å; W263-W288 HydrophobicContact CZ2-CZ2 4.29Å; W263-W288 HydrophobicContact CZ3-CH2 4.08Å; Y274-W288 CarbonylContact C-O 3.53Å; Y274-W288 VanDerWaalsContact CA-O 3.25Å; Y274-W288 WeakPolarHBondContact CA-O 3.1Å; I275-W288 PolarHBondContact N-O 2.71Å; I275-W288 PolarHBondContact O-N 3.43Å; A277-W288 HydrophobicContact CB-CH2 4.12Å; A277-W288 HydrophobicContact CB-CZ3 3.6Å; Y286-W288 HydrophobicContact CD1-CH2 4.11Å; Y286-W288 HydrophobicContact CD1-CZ2 4.17Å; Y286-W288 AromaticContact CG-CH2 4Å; Y286-W288 HydrophobicContact CG-CH2 4Å; Y286-W288 HydrophobicContact CG-CZ3 4.5Å; W288-T294 WeakPolarHBondContact CA-O 3.28Å; W288-T294 WeakPolarHBondContact CB-O 3.12Å; W288-L295 HydrophobicContact CD2-CD1 3.96Å; W288-L295 HydrophobicContact CG-CD1 4.27Å; W288-L295 HydrophobicContact CZ2-CD1 4.06Å
289	E	96.8	Very high	96	Very high	70 Å²	70	40.9 Å²	40.9	33%	0.327	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	129.5	161.3	179.5	-174.7	-140.2	0	0	109.5	Y274 A291 S292 G293 T294 V296	Y274-E289 HydrophobicContact CD1-CB 4.4Å; Y274-E289 HydrophobicContact CE1-CB 4.28Å; E289-A291 HydrophobicContact CG-CB 4.49Å; E289-S292 WeakPolarHBondContact OE2-CB 3.38Å; E289-S292 PolarHBondContact OE2-OG 3.11Å; E289-G293 WeakPolarHBondContact O-CA 3.41Å; E289-G293 PolarHBondContact O-N 3.42Å; E289-T294 PolarHBondContact N-O 3.48Å; E289-V296 HydrophobicContact CB-CG2 4.07Å
290	R	96.1	Very high	95.9	Very high	25 Å²	25	46.3 Å²	46.3	9%	0.094	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-46.1	-179.2	-179.9	-168.6	58.9	77.6	9.4	111.6	Y222 V234 K252 G272 E273 I275	Y222-R290 PolarHBondContact OH-NH1 2.74Å; V234-R290 HydrophobicContact CG1-CG 4.39Å; K252-R290 VanDerWaalsContact CE-O 3.31Å; K252-R290 WeakPolarHBondContact CE-O 3.15Å; K252-R290 WeakPolarHBondContact CG-O 3.08Å; G272-R290 WeakPolarHBondContact O-CD 3.3Å; G272-R290 PolarHBondContact O-NE 2.73Å; G272-R290 VanDerWaalsContact O-NE 3.11Å; E273-R290 WeakPolarHBondContact O-CB 3.35Å; E273-R290 PolarHBondContact O-N 3.46Å; E273-R290 IonicContact OE1-CZ 2.98Å; E273-R290 VanDerWaalsContact OE1-CZ 3.29Å; E273-R290 IonicContact OE1-NE 2.71Å; E273-R290 PolarHBondContact OE1-NE 3.45Å; E273-R290 IonicContact OE1-NH2 3.07Å; E273-R290 PolarHBondContact OE1-NH2 2.88Å; E273-R290 IonicContact OE2-CZ 3.24Å; E273-R290 IonicContact OE2-NE 2.79Å; E273-R290 IonicContact OE2-NH2 3.25Å; E273-R290 PolarHBondContact OE2-NH2 2.7Å; I275-R290 HydrophobicContact CD1-CB 4.37Å; I275-R290 HydrophobicContact CD1-CG 4.36Å
291	A	94.8	Very high	95.8	Very high	53 Å²	53	43.7 Å²	43.7	44%	0.438	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-45.3	-171.6	0	0	0	0	0	113	K252 E289	K252-A291 WeakPolarHBondContact CE-O 3.44Å; K252-A291 PolarHBondContact NZ-O 3.49Å; E289-A291 HydrophobicContact CG-CB 4.49Å
292	S	95.8	Very high	95.7	Very high	50 Å²	50	40.4 Å²	40.4	35%	0.35	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-38.1	175.1	72.5	0	0	0	0	112.8	K252 E289 T294	K252-S292 WeakPolarHBondContact CE-O 3.27Å; K252-S292 VanDerWaalsContact NZ-C 3.29Å; K252-S292 PolarHBondContact NZ-O 3.41Å; E289-S292 WeakPolarHBondContact OE2-CB 3.38Å; E289-S292 PolarHBondContact OE2-OG 3.11Å; S292-T294 WeakPolarHBondContact CB-OG1 3.43Å; S292-T294 WeakPolarHBondContact OG-CB 3.42Å; S292-T294 PolarHBondContact OG-N 3.16Å; S292-T294 PolarHBondContact OG-OG1 3.25Å
293	G	95.6	Very high	95.5	Very high	22 Å²	22	47.7 Å²	47.7	23%	0.227	26%	0.256	C	S	.	.			trans	85	10	-165.7	0	0	0	0	0	114	E289	E289-G293 WeakPolarHBondContact O-CA 3.41Å; E289-G293 PolarHBondContact O-N 3.42Å
294	T	95.9	Very high	95.3	Very high	80 Å²	80	51 Å²	51	49%	0.491	29%	0.292	S	S	.	.			trans	-74.2	137.8	179.7	-54.9	0	0	0	0	110.8	W288 E289 S292 V296	W288-T294 WeakPolarHBondContact CA-O 3.28Å; W288-T294 WeakPolarHBondContact CB-O 3.12Å; E289-T294 PolarHBondContact N-O 3.48Å; S292-T294 WeakPolarHBondContact CB-OG1 3.43Å; S292-T294 WeakPolarHBondContact OG-CB 3.42Å; S292-T294 PolarHBondContact OG-N 3.16Å; S292-T294 PolarHBondContact OG-OG1 3.25Å; T294-V296 PolarHBondContact O-N 3.11Å
295	L	96.6	Very high	95.1	Very high	74 Å²	74	51.9 Å²	51.9	39%	0.387	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	113.1	170.9	-179.7	70.6	0	0	0	108.7	Y286 W288 I298	Y286-L295 HydrophobicContact CD1-CD1 3.89Å; Y286-L295 HydrophobicContact CD1-CD2 4.24Å; Y286-L295 HydrophobicContact CG-CD1 4.39Å; W288-L295 HydrophobicContact CD2-CD1 3.96Å; W288-L295 HydrophobicContact CG-CD1 4.27Å; W288-L295 HydrophobicContact CZ2-CD1 4.06Å; L295-I298 HydrophobicContact CD1-CG1 4.41Å; L295-I298 HydrophobicContact CD2-CD1 4.13Å; L295-I298 HydrophobicContact CD2-CG1 4.11Å
296	V	95.1	Very high	94.9	Very high	53 Å²	53	53.9 Å²	53.9	32%	0.321	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-45.9	-174.3	-177.1	0	0	0	0	111.2	Y13 Y274 L287 E289 T294	Y13-V296 HydrophobicContact CD1-CG1 4.25Å; Y13-V296 HydrophobicContact CD2-CG1 4.32Å; Y13-V296 HydrophobicContact CE1-CG1 3.74Å; Y13-V296 HydrophobicContact CE2-CG1 3.8Å; Y13-V296 VanDerWaalsContact CZ-CG1 3.49Å; Y274-V296 HydrophobicContact CE1-CG2 4.38Å; L287-V296 PolarHBondContact O-N 3.37Å; E289-V296 HydrophobicContact CB-CG2 4.07Å; T294-V296 PolarHBondContact O-N 3.11Å
297	K	95.3	Very high	94.8	Very high	61 Å²	61	53.6 Å²	53.6	27%	0.265	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	155	-175.1	-156.4	85.3	169.9	-165	0	110.8	Y13 E15 L287 L299	Y13-K297 HydrophobicContact CE2-CD 4.48Å; E15-K297 VanDerWaalsContact O-CE 3.23Å; E15-K297 WeakPolarHBondContact O-CE 3.46Å; E15-K297 VanDerWaalsContact OE1-CE 3.31Å; E15-K297 WeakPolarHBondContact OE1-CE 3.49Å; E15-K297 IonicContact OE1-NZ 2.62Å; E15-K297 PolarHBondContact OE1-NZ 2.65Å; E15-K297 IonicContact OE2-NZ 2.85Å; E15-K297 PolarHBondContact OE2-NZ 3.14Å; L287-K297 HydrophobicContact CB-CB 4.29Å; L287-K297 HydrophobicContact CD1-CB 4.15Å; L287-K297 PolarHBondContact N-O 2.79Å; L287-K297 PolarHBondContact O-N 2.86Å; K297-L299 HydrophobicContact CG-CD2 4.26Å
298	I	96.2	Very high	94.7	Very high	55 Å²	55	55.7 Å²	55.7	28%	0.282	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	120.9	160.1	-51.3	172.9	0	0	0	107.6	I285 Y286 L295 H300	I285-I298 WeakPolarHBondContact O-CA 3.11Å; Y286-I298 HydrophobicContact CD1-CD1 3.93Å; Y286-I298 HydrophobicContact CD1-CG1 3.9Å; Y286-I298 HydrophobicContact CD2-CG2 3.98Å; Y286-I298 HydrophobicContact CE1-CD1 3.59Å; Y286-I298 HydrophobicContact CE1-CG1 4.09Å; Y286-I298 HydrophobicContact CE2-CG2 3.97Å; Y286-I298 HydrophobicContact CG-CG1 4.2Å; Y286-I298 HydrophobicContact CG-CG2 4.31Å; L295-I298 HydrophobicContact CD1-CG1 4.41Å; L295-I298 HydrophobicContact CD2-CD1 4.13Å; L295-I298 HydrophobicContact CD2-CG1 4.11Å; I298-H300 VanDerWaalsContact CG2-CE1 3.42Å; I298-H300 WeakPolarHBondContact CG2-CE1 3.23Å
299	L	96.7	Very high	94.7	Very high	5 Å²	5	56 Å²	56	3%	0.026	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	131.4	171.2	-57.1	174.5	0	0	0	108.6	P14 E15 S284 I285 L287 K297 W334	P14-L299 HydrophobicContact CB-CD1 4.45Å; P14-L299 HydrophobicContact CG-CD1 4.18Å; E15-L299 WeakPolarHBondContact O-CD2 3.42Å; S284-L299 CarbonylContact C-O 3.54Å; S284-L299 WeakPolarHBondContact CA-O 3.23Å; S284-L299 WeakPolarHBondContact CB-O 3.36Å; I285-L299 HydrophobicContact CB-CB 4.29Å; I285-L299 PolarHBondContact N-O 3.08Å; I285-L299 PolarHBondContact O-N 2.83Å; L287-L299 HydrophobicContact CD1-CD1 4.1Å; L287-L299 HydrophobicContact CD1-CG 4.27Å; K297-L299 HydrophobicContact CG-CD2 4.26Å; L299-W334 HydrophobicContact CB-CD2 4.2Å; L299-W334 HydrophobicContact CB-CE3 3.79Å; L299-W334 HydrophobicContact CB-CH2 4.44Å; L299-W334 HydrophobicContact CB-CZ3 3.92Å; L299-W334 HydrophobicContact CD1-CB 3.85Å; L299-W334 HydrophobicContact CD1-CD2 3.94Å; L299-W334 HydrophobicContact CD1-CE3 4Å; L299-W334 HydrophobicContact CD1-CG 3.88Å; L299-W334 HydrophobicContact CD2-CE3 4.03Å; L299-W334 HydrophobicContact CG-CE3 4.16Å
300	H	95.5	Very high	94.7	Very high	114 Å²	114	52.6 Å²	52.6	53%	0.528	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	114.6	-176.3	-70.2	-57.1	0	0	0	111.1	S284 I298 W334	S284-H300 PolarHBondContact OG-ND1 3.17Å; I298-H300 VanDerWaalsContact CG2-CE1 3.42Å; I298-H300 WeakPolarHBondContact CG2-CE1 3.23Å; H300-W334 WeakPolarHBondContact O-CH2 3.45Å
301	G	92.1	Very high	94.8	Very high	24 Å²	24	52 Å²	52	25%	0.247	30%	0.303	C	S	.	.			trans	-82.3	-168.2	173.8	0	0	0	0	0	113.6	H283	H283-G301 PolarHBondContact O-N 3.03Å
302	Q	90.5	Very high	94.9	Very high	71 Å²	71	50.1 Å²	50.1	33%	0.332	29%	0.285	S	S	.	.	S	Bend	trans	-64.8	139.7	-172.7	-58.1	-162.8	26	0	0	112.3	Y20 G304 E305 E329	Y20-Q302 PolarHBondContact OH-NE2 3.08Å; Q302-G304 PolarHBondContact O-N 2.76Å; Q302-G304 VanDerWaalsContact O-N 3.16Å; Q302-E305 HydrophobicContact CB-CG 4.03Å; Q302-E305 PolarHBondContact O-N 2.92Å; Q302-E329 PolarHBondContact NE2-OE2 2.97Å
303	K	90	Very high	94.9	Very high	219 Å²	219	48.1 Å²	48.1	95%	0.952	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	111.2	-171.2	-177.7	-178.2	177.1	179.4	0	111.9
304	G	90.3	Very high	94.7	Very high	74 Å²	74	47.4 Å²	47.4	76%	0.763	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	116.5	-13.4	179.5	0	0	0	0	0	112.8	Q302	Q302-G304 PolarHBondContact O-N 2.76Å; Q302-G304 VanDerWaalsContact O-N 3.16Å
305	E	92.7	Very high	94.3	Very high	21 Å²	21	45.1 Å²	45.1	10%	0.098	25%	0.246	C	C	.	.			trans	-80.5	156.6	173.2	-53.1	-167.5	159.9	0	0	111.3	Q282 H283 Q302 S323 N324 S325	Q282-E305 CarbonylContact C-O 3.44Å; Q282-E305 WeakPolarHBondContact CA-O 3.33Å; H283-E305 HydrophobicContact CB-CB 4.12Å; H283-E305 PolarHBondContact N-O 3.27Å; H283-E305 IonicContact ND1-OE2 3.29Å; Q302-E305 HydrophobicContact CB-CG 4.03Å; Q302-E305 PolarHBondContact O-N 2.92Å; E305-S323 WeakPolarHBondContact OE2-CB 3.36Å; E305-S323 PolarHBondContact OE2-OG 3.05Å; E305-N324 VanDerWaalsContact CA-OD1 3.24Å; E305-N324 WeakPolarHBondContact CA-OD1 3.02Å; E305-S325 WeakPolarHBondContact OE1-CB 3.24Å; E305-S325 PolarHBondContact OE1-OG 2.8Å
306	T	94	Very high	93.9	Very high	42 Å²	42	43.9 Å²	43.9	26%	0.258	24%	0.236	S	C	.	.			trans	-121.4	146.1	173.9	65.1	0	0	0	0	109.8	S323 N324	T306-S323 CarbonylContact O-C 3.54Å; T306-S323 WeakPolarHBondContact O-CA 3.42Å; T306-N324 PolarHBondContact N-OD1 3.38Å; T306-N324 PolarHBondContact O-N 3.49Å; T306-N324 PolarHBondContact O-OD1 3.19Å; T306-N324 PolarHBondContact OG1-ND2 3.48Å
307	L	95.6	Very high	93.8	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	133.5	178.2	-170.3	82.5	0	0	0	110.8	R264 I285 D309 V310 I322	R264-L307 HydrophobicContact CB-CD2 4.32Å; R264-L307 HydrophobicContact CG-CD2 4.47Å; R264-L307 WeakPolarHBondContact CG-O 3.48Å; I285-L307 HydrophobicContact CG1-CD1 4.48Å; L307-D309 WeakPolarHBondContact CD1-O 3.45Å; L307-V310 HydrophobicContact CD1-CB 4.47Å; L307-V310 HydrophobicContact CD2-CB 4.06Å; L307-V310 HydrophobicContact CD2-CG1 3.94Å; L307-I322 WeakPolarHBondContact CD1-O 3.49Å
308	L	95.2	Very high	93.7	Very high	44 Å²	44	40.8 Å²	40.8	23%	0.23	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	-45.8	171.5	-61.6	-175.2	0	0	0	112.3	R264 I322 N324	R264-L308 WeakPolarHBondContact CG-O 3.43Å; R264-L308 PolarHBondContact NE-O 3.36Å; R264-L308 PolarHBondContact NH2-O 3.34Å; L308-I322 HydrophobicContact CB-CB 4.12Å; L308-I322 HydrophobicContact CB-CG2 3.86Å; L308-I322 HydrophobicContact CD1-CG2 3.91Å; L308-I322 HydrophobicContact CG-CG2 4.26Å; L308-I322 PolarHBondContact N-O 2.5Å; L308-N324 HydrophobicContact CD1-CB 4.22Å; L308-N324 HydrophobicContact CD2-CB 4.06Å; L308-N324 HydrophobicContact CG-CB 4.11Å
309	D	97.4	Very high	93.8	Very high	16 Å²	16	38.2 Å²	38.2	9%	0.086	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	159.8	-179.6	-158	4.3	0	0	0	111.6	T41 L42 K265 L307 I322	T41-D309 WeakPolarHBondContact CA-OD2 3.31Å; T41-D309 WeakPolarHBondContact CB-OD2 3.41Å; T41-D309 PolarHBondContact OG1-OD2 3.39Å; L42-D309 PolarHBondContact N-OD2 3.38Å; K265-D309 WeakPolarHBondContact CG-OD1 3.33Å; L307-D309 WeakPolarHBondContact CD1-O 3.45Å; D309-I322 HydrophobicContact CB-CB 4.5Å; D309-I322 HydrophobicContact CB-CD1 4.18Å; D309-I322 HydrophobicContact CB-CG1 4.46Å; D309-I322 PolarHBondContact O-N 2.9Å
310	V	97.8	Very high	93.8	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	137.6	177.3	62.9	0	0	0	0	112.3	K265 I285 L307 I319	K265-V310 HydrophobicContact CB-CG1 4.06Å; K265-V310 HydrophobicContact CG-CG1 3.93Å; K265-V310 WeakPolarHBondContact CG-O 3.43Å; I285-V310 HydrophobicContact CD1-CG2 3.94Å; I285-V310 HydrophobicContact CG1-CG2 4.29Å; I285-V310 HydrophobicContact CG2-CG2 4.48Å; L307-V310 HydrophobicContact CD1-CB 4.47Å; L307-V310 HydrophobicContact CD2-CB 4.06Å; L307-V310 HydrophobicContact CD2-CG1 3.94Å; V310-I319 HydrophobicContact CG2-CG2 3.4Å
311	V	97.9	Very high	93.9	Very high	11 Å²	11	32.6 Å²	32.6	7%	0.067	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	146.8	176.7	-67.7	0	0	0	0	111.5	L42 F44 L51 I319 V320	L42-V311 HydrophobicContact CB-CB 4.5Å; L42-V311 HydrophobicContact CB-CG1 3.99Å; L42-V311 HydrophobicContact CB-CG2 3.66Å; L42-V311 HydrophobicContact CD1-CG2 3.86Å; L42-V311 HydrophobicContact CG-CG2 4.41Å; L42-V311 WeakPolarHBondContact O-CG1 3.35Å; F44-V311 HydrophobicContact CD2-CB 4.12Å; F44-V311 HydrophobicContact CD2-CG2 3.68Å; F44-V311 HydrophobicContact CE2-CB 4.46Å; F44-V311 HydrophobicContact CE2-CG2 3.72Å; L51-V311 HydrophobicContact CD1-CG2 4.14Å; V311-I319 WeakPolarHBondContact O-CA 3.3Å; V311-V320 HydrophobicContact CG2-CB 4.32Å; V311-V320 PolarHBondContact N-O 3.45Å; V311-V320 PolarHBondContact O-N 2.94Å
312	W	97.5	Very high	94.1	Very high	15 Å²	15	31.4 Å²	31.4	6%	0.057	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	137.7	171.4	-155.5	-50.2	0	0	0	109.4	F44 Y274 C276 L287 R316 I319	F44-W312 WeakPolarHBondContact CD2-O 3.44Å; Y274-W312 VanDerWaalsContact CB-CH2 3.45Å; Y274-W312 HydrophobicContact CD2-CH2 4.4Å; Y274-W312 HydrophobicContact CG-CH2 4.05Å; C276-W312 HydrophobicContact CB-CE3 4.03Å; C276-W312 HydrophobicContact CB-CZ3 4.26Å; L287-W312 HydrophobicContact CD2-CH2 4.15Å; L287-W312 HydrophobicContact CD2-CZ3 3.72Å; W312-R316 VanDerWaalsContact CD1-O 3.3Å; W312-R316 PolarHBondContact NE1-O 3.23Å; W312-I319 HydrophobicContact CB-CG1 4.15Å; W312-I319 HydrophobicContact CD2-CD1 3.89Å; W312-I319 HydrophobicContact CD2-CG1 3.69Å; W312-I319 HydrophobicContact CE3-CD1 3.64Å; W312-I319 HydrophobicContact CE3-CG1 3.96Å; W312-I319 HydrophobicContact CG-CD1 4.49Å; W312-I319 HydrophobicContact CG-CG1 3.79Å; W312-I319 HydrophobicContact CH2-CD1 4.42Å; W312-I319 HydrophobicContact CZ3-CD1 3.93Å
313	H	95.4	Very high	94.3	Very high	8 Å²	8	28.1 Å²	28.1	4%	0.037	16%	0.155	C	C	.	.			trans	-64.1	124.7	171.5	-179.9	-86.9	0	0	0	110.4	F44 G48 H65 L315 R316 I318	F44-H313 AromaticContact CE1-CD2 3.74Å; F44-H313 HydrophobicContact CE2-CB 3.97Å; F44-H313 HydrophobicContact CZ-CB 3.95Å; F44-H313 AromaticContact CZ-CD2 3.95Å; G48-H313 VanDerWaalsContact C-NE2 3.3Å; G48-H313 VanDerWaalsContact CA-NE2 3.34Å; G48-H313 WeakPolarHBondContact CA-NE2 3.35Å; G48-H313 PolarHBondContact O-CD2 2.65Å; G48-H313 VanDerWaalsContact O-CD2 3.29Å; G48-H313 PolarHBondContact O-NE2 2.97Å; H65-H313 AromaticContact CD2-CD2 3.38Å; H65-H313 PolarHBondContact CD2-CD2 3.28Å; H65-H313 AromaticContact CD2-NE2 3.27Å; H65-H313 PolarHBondContact CD2-NE2 3.46Å; H65-H313 VanDerWaalsContact CD2-NE2 3.27Å; H65-H313 AromaticContact NE2-CD2 3.66Å; H65-H313 AromaticContact NE2-NE2 3.79Å; H313-L315 PolarHBondContact ND1-N 3.24Å; H313-L315 PolarHBondContact O-N 3.24Å; H313-R316 HydrophobicContact CB-CB 4.43Å; H313-R316 VanDerWaalsContact ND1-CB 3.33Å; H313-R316 WeakPolarHBondContact ND1-CB 3.42Å; H313-R316 WeakPolarHBondContact ND1-CG 3.31Å; H313-R316 PolarHBondContact ND1-N 3.27Å; H313-R316 PolarHBondContact O-N 3.11Å; H313-I318 HydrophobicContact CB-CB 3.9Å; H313-I318 HydrophobicContact CB-CG2 4.32Å; H313-I318 WeakPolarHBondContact CB-O 3.12Å; H313-I318 PolarHBondContact N-O 3.35Å
314	P	91.6	Very high	94.3	Very high	6 Å²	6	21 Å²	21	4%	0.039	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-7.9	-165.1	27.5	-38.1	0	0	0	116.7	G48 R218 G270	G48-P314 VanDerWaalsContact CA-CG 3.44Å; R218-P314 VanDerWaalsContact NH1-CB 3.25Å; G270-P314 WeakPolarHBondContact CA-O 3.45Å
315	L	87.4	Confident	94.1	Very high	33 Å²	33	17.8 Å²	17.8	17%	0.173	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.2	8.7	-177.7	-48.6	173.3	0	0	0	114.1	L3 V47 H313 A398 L399	L3-L315 HydrophobicContact CD2-CB 4.33Å; V47-L315 WeakPolarHBondContact O-CD1 3.35Å; V47-L315 WeakPolarHBondContact O-CG 3.34Å; H313-L315 PolarHBondContact ND1-N 3.24Å; H313-L315 PolarHBondContact O-N 3.24Å; L315-A398 HydrophobicContact CD2-CB 3.92Å; L315-A398 WeakPolarHBondContact CD2-O 3.38Å; L315-L399 HydrophobicContact CD1-CD2 3.4Å; L315-L399 VanDerWaalsContact CD1-CD2 3.4Å; L315-L399 HydrophobicContact CD2-CD2 3.91Å; L315-L399 HydrophobicContact CG-CD2 4.29Å
316	R	88.2	Confident	93.3	Very high	48 Å²	48	22.5 Å²	22.5	18%	0.181	12%	0.123	C	C	.	.	S	Bend	trans	-145.8	157.2	-173	-66.2	-67	-179.2	-84.7	3.6	111.9	M1 W312 H313 I318	M1-R316 PolarHBondContact SD-NH2 3.3Å; W312-R316 VanDerWaalsContact CD1-O 3.3Å; W312-R316 PolarHBondContact NE1-O 3.23Å; H313-R316 HydrophobicContact CB-CB 4.43Å; H313-R316 VanDerWaalsContact ND1-CB 3.33Å; H313-R316 WeakPolarHBondContact ND1-CB 3.42Å; H313-R316 WeakPolarHBondContact ND1-CG 3.31Å; H313-R316 PolarHBondContact ND1-N 3.27Å; H313-R316 PolarHBondContact O-N 3.11Å; R316-I318 HydrophobicContact CB-CB 4.31Å; R316-I318 HydrophobicContact CB-CD1 3.93Å; R316-I318 HydrophobicContact CB-CG1 3.97Å; R316-I318 HydrophobicContact CG-CD1 4.39Å; R316-I318 PolarHBondContact O-N 3.21Å
317	P	91.9	Very high	92.5	Very high	27 Å²	27	23.4 Å²	23.4	18%	0.175	13%	0.128	C	C	.	.	S	Bend	trans	-73.4	56.3	169.3	33.7	-37.9	0	0	0	111.6	P14 Q336	P14-P317 WeakPolarHBondContact CB-O 3.47Å; P317-Q336 HydrophobicContact CG-CB 4.3Å
318	I	94.5	Very high	91.2	Very high	22 Å²	22	28.7 Å²	28.7	11%	0.113	15%	0.151	C	C	.	.			trans	-129.2	131.2	-176.5	-62.6	174.5	0	0	0	109.2	H313 R316 I333 W334 A335	H313-I318 HydrophobicContact CB-CB 3.9Å; H313-I318 HydrophobicContact CB-CG2 4.32Å; H313-I318 WeakPolarHBondContact CB-O 3.12Å; H313-I318 PolarHBondContact N-O 3.35Å; R316-I318 HydrophobicContact CB-CB 4.31Å; R316-I318 HydrophobicContact CB-CD1 3.93Å; R316-I318 HydrophobicContact CB-CG1 3.97Å; R316-I318 HydrophobicContact CG-CD1 4.39Å; R316-I318 PolarHBondContact O-N 3.21Å; I318-I333 HydrophobicContact CG2-CG2 4.1Å; I318-W334 CarbonylContact C-O 3.53Å; I318-W334 VanDerWaalsContact CA-O 3.24Å; I318-W334 WeakPolarHBondContact CA-O 3.08Å; I318-A335 HydrophobicContact CG1-CB 4.13Å
319	I	97.5	Very high	90.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	142.4	173.9	-73.6	171.6	0	0	0	108.9	P14 C276 I285 L287 V310 V311 W312 W334	P14-I319 HydrophobicContact CG-CB 4.2Å; P14-I319 HydrophobicContact CG-CD1 3.63Å; P14-I319 HydrophobicContact CG-CG1 3.84Å; C276-I319 HydrophobicContact CB-CD1 4.21Å; I285-I319 HydrophobicContact CD1-CG2 4.14Å; I285-I319 HydrophobicContact CG2-CD1 4.46Å; L287-I319 HydrophobicContact CD2-CD1 3.62Å; V310-I319 HydrophobicContact CG2-CG2 3.4Å; V311-I319 WeakPolarHBondContact O-CA 3.3Å; W312-I319 HydrophobicContact CB-CG1 4.15Å; W312-I319 HydrophobicContact CD2-CD1 3.89Å; W312-I319 HydrophobicContact CD2-CG1 3.69Å; W312-I319 HydrophobicContact CE3-CD1 3.64Å; W312-I319 HydrophobicContact CE3-CG1 3.96Å; W312-I319 HydrophobicContact CG-CD1 4.49Å; W312-I319 HydrophobicContact CG-CG1 3.79Å; W312-I319 HydrophobicContact CH2-CD1 4.42Å; W312-I319 HydrophobicContact CZ3-CD1 3.93Å; I319-W334 HydrophobicContact CB-CB 4.24Å; I319-W334 PolarHBondContact N-O 3.26Å; I319-W334 PolarHBondContact O-N 3.24Å
320	V	97.4	Very high	90.1	Very high	1 Å²	1	30 Å²	30	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.1	171.2	-169.8	0	0	0	0	108.9	L42 F44 L51 V311 V331 S332	L42-V320 HydrophobicContact CD1-CB 4.05Å; L42-V320 HydrophobicContact CD1-CG1 3.78Å; L42-V320 WeakPolarHBondContact CD1-O 3.19Å; F44-V320 HydrophobicContact CE2-CG2 4.08Å; F44-V320 HydrophobicContact CZ-CG2 3.72Å; L51-V320 HydrophobicContact CD2-CB 4.28Å; L51-V320 HydrophobicContact CD2-CG1 3.88Å; L51-V320 HydrophobicContact CD2-CG2 4.3Å; V311-V320 HydrophobicContact CG2-CB 4.32Å; V311-V320 PolarHBondContact N-O 3.45Å; V311-V320 PolarHBondContact O-N 2.94Å; V320-V331 HydrophobicContact CG1-CG1 3.49Å; V320-V331 VanDerWaalsContact CG1-CG1 3.49Å; V320-S332 WeakPolarHBondContact CA-O 3.44Å
321	S	97.5	Very high	89.9	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	136.2	-170.2	75	0	0	0	0	112.5	H283 V331 S332 W334	H283-S321 PolarHBondContact NE2-OG 3.23Å; S321-V331 WeakPolarHBondContact O-CA 3.34Å; S321-S332 PolarHBondContact N-O 2.84Å; S321-S332 PolarHBondContact O-N 2.95Å; S321-W334 PolarHBondContact OG-NE1 2.91Å
322	I	96.1	Very high	89.8	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	126.3	171.1	-55	176.5	0	0	0	109.7	A39 I40 L42 L307 L308 D309 Q330 V331	A39-I322 HydrophobicContact CB-CD1 3.77Å; A39-I322 HydrophobicContact CB-CG1 4.19Å; A39-I322 HydrophobicContact CB-CG2 4.08Å; I40-I322 VanDerWaalsContact C-CD1 3.43Å; L42-I322 HydrophobicContact CD1-CD1 4.4Å; L42-I322 HydrophobicContact CD1-CG1 3.83Å; L42-I322 HydrophobicContact CD2-CD1 3.79Å; L42-I322 HydrophobicContact CD2-CG1 3.85Å; L42-I322 HydrophobicContact CG-CD1 3.63Å; L42-I322 HydrophobicContact CG-CG1 3.61Å; L307-I322 WeakPolarHBondContact CD1-O 3.49Å; L308-I322 HydrophobicContact CB-CB 4.12Å; L308-I322 HydrophobicContact CB-CG2 3.86Å; L308-I322 HydrophobicContact CD1-CG2 3.91Å; L308-I322 HydrophobicContact CG-CG2 4.26Å; L308-I322 PolarHBondContact N-O 2.5Å; D309-I322 HydrophobicContact CB-CB 4.5Å; D309-I322 HydrophobicContact CB-CD1 4.18Å; D309-I322 HydrophobicContact CB-CG1 4.46Å; D309-I322 PolarHBondContact O-N 2.9Å; I322-Q330 CarbonylContact C-O 3.57Å; I322-Q330 VanDerWaalsContact CA-O 3.3Å; I322-Q330 WeakPolarHBondContact CA-O 2.97Å; I322-V331 HydrophobicContact CG1-CG2 4.3Å
323	S	94.4	Very high	89.7	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	162.6	163.7	86.6	0	0	0	0	111.6	H283 E305 T306 S325 Q330	H283-S323 WeakPolarHBondContact ND1-CB 3.36Å; E305-S323 WeakPolarHBondContact OE2-CB 3.36Å; E305-S323 PolarHBondContact OE2-OG 3.05Å; T306-S323 CarbonylContact O-C 3.54Å; T306-S323 WeakPolarHBondContact O-CA 3.42Å; S323-S325 PolarHBondContact O-N 2.84Å; S323-S325 VanDerWaalsContact O-N 3.08Å; S323-S325 WeakPolarHBondContact OG-CB 3.32Å; S323-S325 PolarHBondContact OG-N 3.33Å; S323-Q330 PolarHBondContact N-O 3.03Å
324	N	90.5	Very high	89.7	Confident	71 Å²	71	29.3 Å²	29.3	38%	0.38	15%	0.153	S	C	.	.			trans	-77.7	24.8	174.7	78.9	-36.5	0	0	0	114	E305 T306 L308	E305-N324 VanDerWaalsContact CA-OD1 3.24Å; E305-N324 WeakPolarHBondContact CA-OD1 3.02Å; T306-N324 PolarHBondContact N-OD1 3.38Å; T306-N324 PolarHBondContact O-N 3.49Å; T306-N324 PolarHBondContact O-OD1 3.19Å; T306-N324 PolarHBondContact OG1-ND2 3.48Å; L308-N324 HydrophobicContact CD1-CB 4.22Å; L308-N324 HydrophobicContact CD2-CB 4.06Å; L308-N324 HydrophobicContact CG-CB 4.11Å
325	S	85.5	Confident	89.8	Confident	6 Å²	6	29.5 Å²	29.5	4%	0.042	16%	0.155	C	C	.	.			trans	-59.2	147.9	-176.1	-156.7	0	0	0	0	113.1	E305 S323 T327 Q330	E305-S325 WeakPolarHBondContact OE1-CB 3.24Å; E305-S325 PolarHBondContact OE1-OG 2.8Å; S323-S325 PolarHBondContact O-N 2.84Å; S323-S325 VanDerWaalsContact O-N 3.08Å; S323-S325 WeakPolarHBondContact OG-CB 3.32Å; S323-S325 PolarHBondContact OG-N 3.33Å; S325-T327 PolarHBondContact OG-N 2.8Å; S325-T327 PolarHBondContact OG-OG1 2.04Å; S325-T327 VanDerWaalsContact OG-OG1 3.12Å; S325-Q330 WeakPolarHBondContact O-CG 3.25Å
326	V	76.6	Confident	89.9	Confident	119 Å²	119	29.8 Å²	29.8	72%	0.721	16%	0.155	S	C	*	.	S	Bend	trans	-91.9	-7	171	-168.2	0	0	0	0	111.3
327	T	76.3	Confident	89.5	Confident	61 Å²	61	31.7 Å²	31.7	37%	0.374	17%	0.172	S	C	.	.	S	Bend	trans	-78.5	-177.5	172.5	77.1	0	0	0	0	111	S325 E329 Q330	S325-T327 PolarHBondContact OG-N 2.8Å; S325-T327 PolarHBondContact OG-OG1 2.04Å; S325-T327 VanDerWaalsContact OG-OG1 3.12Å; T327-E329 VanDerWaalsContact C-N 3.28Å; T327-E329 WeakPolarHBondContact OG1-CB 3.48Å; T327-E329 PolarHBondContact OG1-N 3.32Å; T327-Q330 PolarHBondContact O-NE2 2.83Å
328	K	68.7	Low	88.8	Confident	113 Å²	113	38.3 Å²	38.3	49%	0.491	20%	0.201	S	C	.	.	S	Bend	trans	-81.9	-5.9	171.6	-66	176.3	178.1	173	0	112.6	K25 Q330	K25-K328 HydrophobicContact CG-CD 4.15Å; K328-Q330 VanDerWaalsContact C-N 3.31Å; K328-Q330 PolarHBondContact O-N 2.95Å
329	E	81	Confident	87.9	Confident	81 Å²	81	43.1 Å²	43.1	38%	0.379	23%	0.231	S	C	.	.			trans	-89.6	16.7	-173	-58.7	171.7	171.2	0	0	113.6	Y20 Q302 T327 V331	Y20-E329 HydrophobicContact CD1-CB 3.73Å; Y20-E329 WeakPolarHBondContact CD1-O 3.46Å; Y20-E329 HydrophobicContact CD2-CB 3.99Å; Y20-E329 HydrophobicContact CD2-CG 3.91Å; Y20-E329 HydrophobicContact CE1-CB 3.97Å; Y20-E329 HydrophobicContact CE2-CB 4.21Å; Y20-E329 HydrophobicContact CE2-CG 4.21Å; Y20-E329 HydrophobicContact CG-CB 3.74Å; Y20-E329 HydrophobicContact CG-CG 4.09Å; Q302-E329 PolarHBondContact NE2-OE2 2.97Å; T327-E329 VanDerWaalsContact C-N 3.28Å; T327-E329 WeakPolarHBondContact OG1-CB 3.48Å; T327-E329 PolarHBondContact OG1-N 3.32Å; E329-V331 PolarHBondContact O-N 2.89Å
330	Q	89	Confident	86.9	Confident	8 Å²	8	50.9 Å²	50.9	4%	0.037	27%	0.267	C	S	.	.			trans	-53.6	-27.4	-175.3	-67.8	156.9	26	0	0	114.7	Y38 I322 S323 S325 T327 K328	Y38-Q330 VanDerWaalsContact CA-OE1 3.29Å; I322-Q330 CarbonylContact C-O 3.57Å; I322-Q330 VanDerWaalsContact CA-O 3.3Å; I322-Q330 WeakPolarHBondContact CA-O 2.97Å; S323-Q330 PolarHBondContact N-O 3.03Å; S325-Q330 WeakPolarHBondContact O-CG 3.25Å; T327-Q330 PolarHBondContact O-NE2 2.83Å; K328-Q330 VanDerWaalsContact C-N 3.31Å; K328-Q330 PolarHBondContact O-N 2.95Å
331	V	94	Very high	85.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	94.5	-173.2	-174.8	0	0	0	0	108.6	Y20 L21 A39 L42 V320 S321 I322 E329	Y20-V331 WeakPolarHBondContact CA-O 3.19Å; L21-V331 HydrophobicContact CB-CB 4Å; L21-V331 HydrophobicContact CB-CG1 3.89Å; L21-V331 HydrophobicContact CD1-CG1 4Å; L21-V331 HydrophobicContact CG-CG1 4.44Å; L21-V331 PolarHBondContact N-O 2.94Å; A39-V331 HydrophobicContact CB-CG2 3.78Å; L42-V331 HydrophobicContact CD2-CG1 4.41Å; V320-V331 HydrophobicContact CG1-CG1 3.49Å; V320-V331 VanDerWaalsContact CG1-CG1 3.49Å; S321-V331 WeakPolarHBondContact O-CA 3.34Å; I322-V331 HydrophobicContact CG1-CG2 4.3Å; E329-V331 PolarHBondContact O-N 2.89Å
332	S	94.9	Very high	85.1	Confident	4 Å²	4	61.6 Å²	61.6	3%	0.028	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	139.6	-178.8	-32.3	0	0	0	0	111.1	Y20 H283 V320 S321	Y20-S332 WeakPolarHBondContact CE1-OG 3.31Å; H283-S332 PolarHBondContact CE1-OG 3.41Å; V320-S332 WeakPolarHBondContact CA-O 3.44Å; S321-S332 PolarHBondContact N-O 2.84Å; S321-S332 PolarHBondContact O-N 2.95Å
333	I	95.4	Very high	84.4	Confident	3 Å²	3	63.3 Å²	63.3	2%	0.015	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	138.2	172.9	-55.1	175.1	0	0	0	107.6	D18 G19 W63 I318	D18-I333 HydrophobicContact CB-CG2 4.17Å; D18-I333 PolarHBondContact N-O 2.89Å; G19-I333 PolarHBondContact O-N 3.11Å; W63-I333 HydrophobicContact CH2-CD1 3.83Å; W63-I333 HydrophobicContact CZ2-CD1 3.75Å; I318-I333 HydrophobicContact CG2-CG2 4.1Å
334	W	96.3	Very high	83.8	Confident	11 Å²	11	67.4 Å²	67.4	4%	0.042	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131	176.2	-51.2	85.3	0	0	0	108.4	P14 A16 A17 H283 L299 H300 I318 I319 S321	P14-W334 HydrophobicContact CB-CB 4.11Å; A16-W334 CarbonylContact O-C 3.59Å; A16-W334 VanDerWaalsContact O-CA 3.24Å; A16-W334 WeakPolarHBondContact O-CA 3.35Å; A17-W334 HydrophobicContact CB-CE3 3.91Å; A17-W334 HydrophobicContact CB-CH2 4.27Å; A17-W334 HydrophobicContact CB-CZ3 3.72Å; H283-W334 AromaticContact NE2-CZ2 3.91Å; L299-W334 HydrophobicContact CB-CD2 4.2Å; L299-W334 HydrophobicContact CB-CE3 3.79Å; L299-W334 HydrophobicContact CB-CH2 4.44Å; L299-W334 HydrophobicContact CB-CZ3 3.92Å; L299-W334 HydrophobicContact CD1-CB 3.85Å; L299-W334 HydrophobicContact CD1-CD2 3.94Å; L299-W334 HydrophobicContact CD1-CE3 4Å; L299-W334 HydrophobicContact CD1-CG 3.88Å; L299-W334 HydrophobicContact CD2-CE3 4.03Å; L299-W334 HydrophobicContact CG-CE3 4.16Å; H300-W334 WeakPolarHBondContact O-CH2 3.45Å; I318-W334 CarbonylContact C-O 3.53Å; I318-W334 VanDerWaalsContact CA-O 3.24Å; I318-W334 WeakPolarHBondContact CA-O 3.08Å; I319-W334 HydrophobicContact CB-CB 4.24Å; I319-W334 PolarHBondContact N-O 3.26Å; I319-W334 PolarHBondContact O-N 3.24Å; S321-W334 PolarHBondContact OG-NE1 2.91Å
335	A	93.6	Very high	83.6	Confident	10 Å²	10	71.8 Å²	71.8	8%	0.083	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	170.3	-176.9	0	0	0	0	0	111.2	E15 A16 D18 I318	E15-A335 PolarHBondContact N-O 2.7Å; A16-A335 PolarHBondContact N-O 3.26Å; A16-A335 VanDerWaalsContact N-O 3.09Å; A16-A335 PolarHBondContact O-N 3.4Å; D18-A335 HydrophobicContact CB-CB 3.72Å; I318-A335 HydrophobicContact CG1-CB 4.13Å
336	Q	87.9	Confident	83.7	Confident	40 Å²	40	73.4 Å²	73.4	19%	0.187	39%	0.388	C	S	.	.			trans	-65.8	136.9	160	-172	-168.6	-3	0	0	108.9	H10 Q11 P317 Q338	H10-Q336 PolarHBondContact CD2-NE2 3.16Å; H10-Q336 VanDerWaalsContact CD2-NE2 3.26Å; Q11-Q336 PolarHBondContact O-OE1 2.99Å; P317-Q336 HydrophobicContact CG-CB 4.3Å; Q336-Q338 PolarHBondContact O-N 2.92Å
337	T	81.7	Confident	84	Confident	87 Å²	87	73.8 Å²	73.8	53%	0.534	39%	0.393	S	S	.	.			trans	-69.9	112.8	171.6	-49.3	0	0	0	0	108.8	V339	T337-V339 PolarHBondContact O-N 2.97Å
338	Q	75.3	Confident	84.4	Confident	167 Å²	167	78.8 Å²	78.8	78%	0.78	42%	0.417	S	S	*	.			trans	-73.6	119.4	174.6	-70.7	-174.3	-31.6	0	0	110	Q336	Q336-Q338 PolarHBondContact O-N 2.92Å
339	V	76.6	Confident	85.3	Confident	122 Å²	122	78.5 Å²	78.5	74%	0.739	42%	0.416	S	S	*	.			trans	-86.9	133.6	164.9	-178.4	0	0	0	0	107.1	T337 N341	T337-V339 PolarHBondContact O-N 2.97Å; V339-N341 PolarHBondContact O-N 2.89Å
340	Q	77.3	Confident	85.4	Confident	164 Å²	164	82.5 Å²	82.5	77%	0.766	43%	0.432	S	S	*	.			trans	-84.4	106.8	176.1	-68.8	179.5	-11.6	0	0	108.7
341	N	76.3	Confident	85.1	Confident	58 Å²	58	86.7 Å²	86.7	31%	0.31	45%	0.452	S	S	.	.			trans	-74.3	130	174.8	176.8	-1	0	0	0	110.1	V339 S343 E351	V339-N341 PolarHBondContact O-N 2.89Å; N341-S343 VanDerWaalsContact CG-OG 3.28Å; N341-S343 PolarHBondContact ND2-OG 2.6Å; N341-S343 PolarHBondContact OD1-N 2.76Å; N341-S343 PolarHBondContact OD1-OG 3.01Å; N341-E351 PolarHBondContact OD1-OE2 2.9Å
342	W	79.2	Confident	84.7	Confident	168 Å²	168	91.3 Å²	91.3	64%	0.636	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-76.2	-19.9	-177.6	-70.8	80.9	0	0	0	113.7	A344 F345 F349 E351	W342-A344 PolarHBondContact O-N 3.36Å; W342-F345 HydrophobicContact CE3-CD2 4.4Å; W342-F345 PolarHBondContact O-N 3.04Å; W342-F345 VanDerWaalsContact O-N 3.16Å; W342-F349 HydrophobicContact CB-CD1 4.43Å; W342-F349 HydrophobicContact CB-CE1 3.94Å; W342-E351 PolarHBondContact N-OE2 2.99Å
343	S	82.5	Confident	84.3	Confident	36 Å²	36	99.5 Å²	99.5	25%	0.252	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-63.3	-21.1	174.7	71.3	0	0	0	0	113.4	N341 F345 A346 F349	N341-S343 VanDerWaalsContact CG-OG 3.28Å; N341-S343 PolarHBondContact ND2-OG 2.6Å; N341-S343 PolarHBondContact OD1-N 2.76Å; N341-S343 PolarHBondContact OD1-OG 3.01Å; S343-F345 PolarHBondContact O-N 2.86Å; S343-F345 VanDerWaalsContact O-N 3.14Å; S343-A346 CarbonylContact O-C 3.46Å; S343-A346 PolarHBondContact O-N 2.84Å; S343-A346 VanDerWaalsContact O-O 3.06Å; S343-F349 WeakPolarHBondContact CB-O 3.41Å
344	A	81.9	Confident	84.2	Confident	86 Å²	86	107.1 Å²	107.1	71%	0.711	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-64.9	-13.9	175.7	0	0	0	0	0	113.9	W342	W342-A344 PolarHBondContact O-N 3.36Å
345	F	85.9	Confident	84	Confident	163 Å²	163	114.8 Å²	114.8	72%	0.715	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-93.6	-17.2	177.9	-68.2	-76.6	0	0	0	114.5	W342 S343	W342-F345 HydrophobicContact CE3-CD2 4.4Å; W342-F345 PolarHBondContact O-N 3.04Å; W342-F345 VanDerWaalsContact O-N 3.16Å; S343-F345 PolarHBondContact O-N 2.86Å; S343-F345 VanDerWaalsContact O-N 3.14Å
346	A	86.8	Confident	83.9	Confident	41 Å²	41	119.2 Å²	119.2	34%	0.339	62%	0.622	S	S	.	*			trans	-154.3	113.8	-179.4	0	0	0	0	0	109.4	S343 D348 F349	S343-A346 CarbonylContact O-C 3.46Å; S343-A346 PolarHBondContact O-N 2.84Å; S343-A346 VanDerWaalsContact O-O 3.06Å; A346-D348 PolarHBondContact O-N 3.08Å; A346-D348 VanDerWaalsContact O-N 3.14Å; A346-F349 HydrophobicContact CB-CB 3.98Å; A346-F349 WeakPolarHBondContact O-CB 3.24Å; A346-F349 PolarHBondContact O-N 2.58Å
347	P	83.4	Confident	84.1	Confident	127 Å²	127	126.3 Å²	126.3	83%	0.825	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.6	-34.1	-174.2	-28.5	36.1	0	0	0	114.8	F349	P347-F349 VanDerWaalsContact C-N 3.28Å; P347-F349 PolarHBondContact O-N 3.27Å
348	D	85.1	Confident	84.5	Confident	165 Å²	165	128.2 Å²	128.2	88%	0.882	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-9.9	-179.2	-42.4	-51.4	0	0	0	113.1	A346	A346-D348 PolarHBondContact O-N 3.08Å; A346-D348 VanDerWaalsContact O-N 3.14Å
349	F	87.2	Confident	85.2	Confident	108 Å²	108	128.8 Å²	128.8	47%	0.474	66%	0.656	S	S	.	*			trans	-88.3	131	178.3	-176.2	-91.5	0	0	0	110.5	W342 S343 A346 P347 E351	W342-F349 HydrophobicContact CB-CD1 4.43Å; W342-F349 HydrophobicContact CB-CE1 3.94Å; S343-F349 WeakPolarHBondContact CB-O 3.41Å; A346-F349 HydrophobicContact CB-CB 3.98Å; A346-F349 WeakPolarHBondContact O-CB 3.24Å; A346-F349 PolarHBondContact O-N 2.58Å; P347-F349 VanDerWaalsContact C-N 3.28Å; P347-F349 PolarHBondContact O-N 3.27Å; F349-E351 HydrophobicContact CE1-CB 4.33Å
350	K	83.8	Confident	85.7	Confident	164 Å²	164	129.5 Å²	129.5	71%	0.713	65%	0.652	S	S	*	*			trans	-122.8	121.8	175.6	-172.7	171.8	-179.6	177.8	0	110.4	L352	K350-L352 HydrophobicContact CD-CD2 4.36Å; K350-L352 HydrophobicContact CG-CD2 4.23Å
351	E	82.8	Confident	86.1	Confident	97 Å²	97	129.7 Å²	129.7	45%	0.453	65%	0.645	S	S	.	*			trans	-73.3	139.6	171.8	-160.8	160.8	175.2	0	0	109.4	N341 W342 F349	N341-E351 PolarHBondContact OD1-OE2 2.9Å; W342-E351 PolarHBondContact N-OE2 2.99Å; F349-E351 HydrophobicContact CE1-CB 4.33Å
352	L	85.1	Confident	86.4	Confident	97 Å²	97	136 Å²	136	51%	0.508	67%	0.673	S	S	.	*			trans	-130.6	122.1	-173.5	-64.5	177.9	0	0	0	110.3	K350 V356	K350-L352 HydrophobicContact CD-CD2 4.36Å; K350-L352 HydrophobicContact CG-CD2 4.23Å; L352-V356 HydrophobicContact CD1-CB 4.28Å; L352-V356 HydrophobicContact CD1-CG2 4.02Å; L352-V356 HydrophobicContact CD2-CG2 3.94Å
353	D	86.4	Confident	86.6	Confident	176 Å²	176	129.1 Å²	129.1	94%	0.941	65%	0.65	S	S	*	*	S	Bend	trans	-71.1	-31.9	175.4	-71.5	-52.6	0	0	0	112.9
354	E	93.3	Very high	86.7	Confident	163 Å²	163	131.7 Å²	131.7	76%	0.762	66%	0.659	S	S	*	*	S	Bend	trans	-132	153	179.6	-63.3	-168.9	163.8	0	0	110.4	V356	E354-V356 PolarHBondContact O-N 2.8Å; E354-V356 VanDerWaalsContact O-N 3.15Å
355	N	92	Very high	86.9	Confident	171 Å²	171	135.3 Å²	135.3	91%	0.914	66%	0.659	S	S	*	*			trans	-64.1	115.4	178.4	-70.2	-4.2	0	0	0	110.6
356	V	92.4	Very high	86.8	Confident	104 Å²	104	132.7 Å²	132.7	63%	0.63	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-81.4	127.8	168.4	178.1	0	0	0	0	108.7	L352 E354	L352-V356 HydrophobicContact CD1-CB 4.28Å; L352-V356 HydrophobicContact CD1-CG2 4.02Å; L352-V356 HydrophobicContact CD2-CG2 3.94Å; E354-V356 PolarHBondContact O-N 2.8Å; E354-V356 VanDerWaalsContact O-N 3.15Å
357	E	91.7	Very high	86.6	Confident	188 Å²	188	137.7 Å²	137.7	88%	0.879	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-74.5	128.3	170.9	-166.7	158.9	-133.9	0	0	108.6
358	Y	89.9	Confident	86.3	Confident	128 Å²	128	138.5 Å²	138.5	50%	0.502	67%	0.671	S	S	.	*	P	Polyproline II helix	trans	-84.6	124.1	-172.3	179.9	-108.8	0	0	0	110.7	E360 E364	Y358-E360 HydrophobicContact CD1-CG 3.95Å; Y358-E360 HydrophobicContact CE1-CB 4.36Å; Y358-E360 HydrophobicContact CE1-CG 4Å; Y358-E360 PolarHBondContact O-N 3.48Å; Y358-E364 WeakPolarHBondContact CE1-OE1 3.18Å; Y358-E364 WeakPolarHBondContact CE1-OE2 3.24Å; Y358-E364 VanDerWaalsContact CZ-OE2 3.25Å; Y358-E364 VanDerWaalsContact OH-CD 3.25Å; Y358-E364 PolarHBondContact OH-OE1 3.12Å; Y358-E364 PolarHBondContact OH-OE2 3.29Å
359	E	89.2	Confident	85.7	Confident	178 Å²	178	133.5 Å²	133.5	83%	0.832	64%	0.644	S	S	*	*			trans	-90.6	99.1	174.8	-167.5	163.2	-149.8	0	0	108.3	R361	E359-R361 PolarHBondContact O-N 2.9Å
360	E	87.7	Confident	84.8	Confident	137 Å²	137	135.8 Å²	135.8	64%	0.64	66%	0.656	S	S	*	*			trans	-55.6	131.9	-179.2	-63.3	176.4	-180	0	0	110.9	Y358	Y358-E360 HydrophobicContact CD1-CG 3.95Å; Y358-E360 HydrophobicContact CE1-CB 4.36Å; Y358-E360 HydrophobicContact CE1-CG 4Å; Y358-E360 PolarHBondContact O-N 3.48Å
361	R	85.1	Confident	84.1	Confident	168 Å²	168	132.9 Å²	132.9	63%	0.634	65%	0.649	S	S	*	*			trans	-85.7	150.9	178.2	-61.8	-166.2	-162	81.2	-5.2	111	E359 S363 E364	E359-R361 PolarHBondContact O-N 2.9Å; R361-S363 VanDerWaalsContact C-N 3.33Å; R361-S363 PolarHBondContact O-N 2.88Å; R361-E364 HydrophobicContact CB-CB 4.47Å; R361-E364 PolarHBondContact N-OE2 3.47Å; R361-E364 VanDerWaalsContact O-CB 3.27Å; R361-E364 WeakPolarHBondContact O-CB 3.45Å; R361-E364 PolarHBondContact O-N 3.19Å; R361-E364 VanDerWaalsContact O-N 3.14Å
362	E	83	Confident	83.4	Confident	191 Å²	191	133 Å²	133	89%	0.893	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-58.7	-42.1	179.6	-167.3	160.3	-166.7	0	0	112.1	E364	E362-E364 VanDerWaalsContact C-N 3.31Å; E362-E364 PolarHBondContact O-N 3.14Å
363	S	83.3	Confident	82.2	Confident	23 Å²	23	133.6 Å²	133.6	16%	0.161	65%	0.649	C	S	.	*	G	3₁₀ helix	trans	-79	0.7	178.8	65.6	0	0	0	0	115.8	R361 F365 D366 D369	R361-S363 VanDerWaalsContact C-N 3.33Å; R361-S363 PolarHBondContact O-N 2.88Å; S363-F365 PolarHBondContact O-N 2.99Å; S363-F365 VanDerWaalsContact O-N 3.16Å; S363-D366 PolarHBondContact O-N 3.42Å; S363-D366 VanDerWaalsContact O-N 3.09Å; S363-D369 WeakPolarHBondContact CB-OD1 3.44Å; S363-D369 PolarHBondContact OG-OD1 2.77Å
364	E	84.2	Confident	80.9	Confident	91 Å²	91	129.8 Å²	129.8	43%	0.425	63%	0.628	S	S	.	*	G	3₁₀ helix	trans	-66.7	-20.3	-174.7	-174.5	164.8	170	0	0	114.2	Y358 R361 E362	Y358-E364 WeakPolarHBondContact CE1-OE1 3.18Å; Y358-E364 WeakPolarHBondContact CE1-OE2 3.24Å; Y358-E364 VanDerWaalsContact CZ-OE2 3.25Å; Y358-E364 VanDerWaalsContact OH-CD 3.25Å; Y358-E364 PolarHBondContact OH-OE1 3.12Å; Y358-E364 PolarHBondContact OH-OE2 3.29Å; R361-E364 HydrophobicContact CB-CB 4.47Å; R361-E364 PolarHBondContact N-OE2 3.47Å; R361-E364 VanDerWaalsContact O-CB 3.27Å; R361-E364 WeakPolarHBondContact O-CB 3.45Å; R361-E364 PolarHBondContact O-N 3.19Å; R361-E364 VanDerWaalsContact O-N 3.14Å; E362-E364 VanDerWaalsContact C-N 3.31Å; E362-E364 PolarHBondContact O-N 3.14Å
365	F	85.8	Confident	79.4	Confident	162 Å²	162	128.6 Å²	128.6	71%	0.711	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-105.2	1.9	176.5	-65	-80	0	0	0	113.6	S363	S363-F365 PolarHBondContact O-N 2.99Å; S363-F365 VanDerWaalsContact O-N 3.16Å
366	D	85.6	Confident	77.8	Confident	108 Å²	108	124.7 Å²	124.7	58%	0.578	60%	0.598	S	S	*	*			trans	-84.9	155	177.8	-73.1	-41.5	0	0	0	112.3	S363	S363-D366 PolarHBondContact O-N 3.42Å; S363-D366 VanDerWaalsContact O-N 3.09Å
367	V	82.4	Confident	76.1	Confident	145 Å²	145	125.1 Å²	125.1	88%	0.879	60%	0.597	S	S	*	*	S	Bend	trans	-88.3	-28.1	-175.8	-179.6	0	0	0	0	111.9
368	E	76.7	Confident	74.6	Confident	145 Å²	145	122.6 Å²	122.6	68%	0.678	58%	0.583	S	S	*	*	S	Bend	trans	-130.7	112.6	176	-67.2	178.8	-162.8	0	0	106.7	E370	E368-E370 VanDerWaalsContact C-N 3.34Å; E368-E370 PolarHBondContact O-N 3.48Å
369	D	72	Confident	73	Confident	60 Å²	60	120.8 Å²	120.8	32%	0.321	58%	0.582	S	S	.	*			trans	-77.7	81.1	-175.5	-169.4	2.8	0	0	0	109.4	S363 D371 K372 M373	S363-D369 WeakPolarHBondContact CB-OD1 3.44Å; S363-D369 PolarHBondContact OG-OD1 2.77Å; D369-D371 PolarHBondContact O-N 3.16Å; D369-K372 HydrophobicContact CB-CB 4.03Å; D369-K372 VanDerWaalsContact CG-CB 3.49Å; D369-K372 PolarHBondContact O-N 2.57Å; D369-K372 VanDerWaalsContact O-N 3.15Å; D369-K372 WeakPolarHBondContact OD2-CB 3.48Å; D369-K372 WeakPolarHBondContact OD2-CD 3.47Å; D369-M373 PolarHBondContact O-N 3.41Å
370	E	68.8	Low	71.3	Confident	155 Å²	155	116.2 Å²	116.2	72%	0.724	56%	0.564	S	S	*	*	H	α-helix	trans	-56.5	-36.7	-173.5	-69.2	-166.2	-180	0	0	112.2	E368 M373	E368-E370 VanDerWaalsContact C-N 3.34Å; E368-E370 PolarHBondContact O-N 3.48Å; E370-M373 PolarHBondContact O-N 3.48Å
371	D	68.4	Low	69.8	Low	104 Å²	104	116.3 Å²	116.3	56%	0.556	57%	0.568	S	S	*	*	H	α-helix	trans	-65.2	-41.2	178.3	-76.7	-32.9	0	0	0	112.3	D369 M373 I374 E375	D369-D371 PolarHBondContact O-N 3.16Å; D371-M373 VanDerWaalsContact C-N 3.29Å; D371-M373 PolarHBondContact O-N 3.02Å; D371-I374 WeakPolarHBondContact O-CA 3.15Å; D371-I374 WeakPolarHBondContact O-CB 3.38Å; D371-I374 PolarHBondContact O-N 3.35Å; D371-E375 PolarHBondContact O-N 2.71Å
372	K	67.7	Low	68.6	Low	100 Å²	100	116.1 Å²	116.1	44%	0.435	58%	0.575	S	S	.	*	H	α-helix	trans	-64	-33.9	-179.4	-170.8	168.3	-172	-71.8	0	112.6	D369 I374 E375 E376	D369-K372 HydrophobicContact CB-CB 4.03Å; D369-K372 VanDerWaalsContact CG-CB 3.49Å; D369-K372 PolarHBondContact O-N 2.57Å; D369-K372 VanDerWaalsContact O-N 3.15Å; D369-K372 WeakPolarHBondContact OD2-CB 3.48Å; D369-K372 WeakPolarHBondContact OD2-CD 3.47Å; K372-I374 PolarHBondContact O-N 2.63Å; K372-E375 PolarHBondContact O-N 3.36Å; K372-E376 IonicContact NZ-OE1 2.59Å; K372-E376 PolarHBondContact NZ-OE1 2.82Å; K372-E376 WeakPolarHBondContact O-CG 3.32Å; K372-E376 PolarHBondContact O-N 2.76Å
373	M	59.7	Low	67.6	Low	109 Å²	109	113.8 Å²	113.8	54%	0.537	56%	0.564	S	S	.	*	H	α-helix	trans	-66.8	-23.8	172.1	-63.3	-160	-166.6	0	0	112.9	D369 E370 D371 N377	D369-M373 PolarHBondContact O-N 3.41Å; E370-M373 PolarHBondContact O-N 3.48Å; D371-M373 VanDerWaalsContact C-N 3.29Å; D371-M373 PolarHBondContact O-N 3.02Å; M373-N377 WeakPolarHBondContact O-CB 3.46Å; M373-N377 PolarHBondContact O-N 2.92Å; M373-N377 PolarHBondContact O-ND2 2.87Å
374	I	61.1	Low	66.8	Low	96 Å²	96	120.8 Å²	120.8	49%	0.492	59%	0.594	S	S	.	*	H	α-helix	trans	-80.2	-29.8	177.8	-62.6	168.9	0	0	0	111.4	D371 K372 K378	D371-I374 WeakPolarHBondContact O-CA 3.15Å; D371-I374 WeakPolarHBondContact O-CB 3.38Å; D371-I374 PolarHBondContact O-N 3.35Å; K372-I374 PolarHBondContact O-N 2.63Å; I374-K378 WeakPolarHBondContact O-CG 3.21Å
375	E	60.5	Low	66.4	Low	137 Å²	137	123.9 Å²	123.9	64%	0.64	61%	0.613	S	S	*	*	H	α-helix	trans	-78.7	-47.1	174.2	-62.3	-160.3	141	0	0	112.2	D371 K372 N377 K378 N379	D371-E375 PolarHBondContact O-N 2.71Å; K372-E375 PolarHBondContact O-N 3.36Å; E375-N377 PolarHBondContact O-N 2.77Å; E375-K378 PolarHBondContact O-N 2.81Å; E375-N379 PolarHBondContact O-N 2.88Å
376	E	59.3	Low	66.2	Low	89 Å²	89	120.5 Å²	120.5	42%	0.416	61%	0.606	S	S	.	*	H	α-helix	trans	-59.5	-42.6	179.9	-72.6	-179.9	177.9	0	0	112.4	K372 K378 N380	K372-E376 IonicContact NZ-OE1 2.59Å; K372-E376 PolarHBondContact NZ-OE1 2.82Å; K372-E376 WeakPolarHBondContact O-CG 3.32Å; K372-E376 PolarHBondContact O-N 2.76Å; E376-K378 PolarHBondContact O-N 2.7Å; E376-N380 PolarHBondContact O-N 3.03Å; E376-N380 PolarHBondContact O-ND2 3.45Å
377	N	57.1	Low	66.1	Low	114 Å²	114	124.7 Å²	124.7	61%	0.61	62%	0.622	S	S	*	*	H	α-helix	trans	-72.8	-5.8	177.2	-75.1	-68.5	0	0	0	114.4	M373 E375	M373-N377 WeakPolarHBondContact O-CB 3.46Å; M373-N377 PolarHBondContact O-N 2.92Å; M373-N377 PolarHBondContact O-ND2 2.87Å; E375-N377 PolarHBondContact O-N 2.77Å
378	K	59.8	Low	66.2	Low	135 Å²	135	124.2 Å²	124.2	59%	0.587	61%	0.613	S	S	*	*	H	α-helix	trans	-94.4	-42.6	172.4	-83.7	176.4	180	166.6	0	112.5	I374 E375 E376	I374-K378 WeakPolarHBondContact O-CG 3.21Å; E375-K378 PolarHBondContact O-N 2.81Å; E376-K378 PolarHBondContact O-N 2.7Å
379	N	55.1	Low	66.7	Low	89 Å²	89	122.2 Å²	122.2	48%	0.476	61%	0.607	S	S	.	*	H	α-helix	trans	-80.1	-37.6	-171.3	-63.4	0.2	0	0	0	111.7	E375 D381 E382 E383	E375-N379 PolarHBondContact O-N 2.88Å; N379-D381 VanDerWaalsContact C-N 3.35Å; N379-D381 PolarHBondContact O-N 2.81Å; N379-E382 PolarHBondContact O-N 3.35Å; N379-E382 VanDerWaalsContact O-N 3.12Å; N379-E383 PolarHBondContact O-N 2.82Å
380	N	55.1	Low	67.4	Low	83 Å²	83	126.6 Å²	126.6	44%	0.444	63%	0.629	S	S	.	*	H	α-helix	trans	-58.9	-43.4	-177.8	-67	-13.9	0	0	0	112.6	E376 E382 E383 E384	E376-N380 PolarHBondContact O-N 3.03Å; E376-N380 PolarHBondContact O-ND2 3.45Å; N380-E382 VanDerWaalsContact C-N 3.25Å; N380-E382 PolarHBondContact O-N 3.05Å; N380-E383 PolarHBondContact O-N 2.85Å; N380-E384 PolarHBondContact O-N 2.83Å; N380-E384 VanDerWaalsContact O-N 3.14Å
381	D	55.6	Low	68.3	Low	139 Å²	139	127.5 Å²	127.5	74%	0.743	63%	0.633	S	S	*	*	H	α-helix	trans	-67.5	-19.3	179.9	-83.2	17	0	0	0	113.4	N379	N379-D381 VanDerWaalsContact C-N 3.35Å; N379-D381 PolarHBondContact O-N 2.81Å
382	E	58.7	Low	69.1	Low	163 Å²	163	127.3 Å²	127.3	76%	0.762	64%	0.636	S	S	*	*	H	α-helix	trans	-102.6	-23.9	177.3	-67.4	-167.7	176.4	0	0	113.3	N379 N380	N379-E382 PolarHBondContact O-N 3.35Å; N379-E382 VanDerWaalsContact O-N 3.12Å; N380-E382 VanDerWaalsContact C-N 3.25Å; N380-E382 PolarHBondContact O-N 3.05Å
383	E	62.2	Low	69.7	Low	142 Å²	142	131 Å²	131	66%	0.664	66%	0.656	S	S	*	*	H	α-helix	trans	-93	-30.6	-179.1	-69.1	-169.2	169.3	0	0	114.6	N379 N380 D385 V386	N379-E383 PolarHBondContact O-N 2.82Å; N380-E383 PolarHBondContact O-N 2.85Å; E383-D385 PolarHBondContact O-N 2.93Å; E383-V386 WeakPolarHBondContact O-CG2 3.1Å
384	E	67.2	Low	70.6	Confident	171 Å²	171	133.2 Å²	133.2	80%	0.799	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-25.8	-179.1	-71.9	-159.6	157.2	0	0	113.8	N380	N380-E384 PolarHBondContact O-N 2.83Å; N380-E384 VanDerWaalsContact O-N 3.14Å
385	D	75.3	Confident	71.3	Confident	155 Å²	155	132 Å²	132	83%	0.829	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	10.7	-175.6	-106.1	3.3	0	0	0	113.8	E383 E387	E383-D385 PolarHBondContact O-N 2.93Å; D385-E387 PolarHBondContact O-N 2.84Å
386	V	82.1	Confident	71.9	Confident	91 Å²	91	127.5 Å²	127.5	55%	0.552	65%	0.646	S	S	*	*			trans	-73.4	124.7	179.9	178.6	0	0	0	0	111.5	E383 I388	E383-V386 WeakPolarHBondContact O-CG2 3.1Å; V386-I388 PolarHBondContact O-N 2.87Å; V386-I388 VanDerWaalsContact O-N 3.16Å
387	E	83.1	Confident	72.6	Confident	196 Å²	196	128.2 Å²	128.2	92%	0.916	65%	0.649	S	S	*	*			trans	-75	103.5	176.5	-170.5	166.3	-156.7	0	0	111.3	D385	D385-E387 PolarHBondContact O-N 2.84Å
388	I	85	Confident	73.3	Confident	136 Å²	136	124 Å²	124	70%	0.697	63%	0.63	S	S	*	*			trans	-87.9	114.1	-176.3	-54.7	175.4	0	0	0	111.1	V386 I390	V386-I388 PolarHBondContact O-N 2.87Å; V386-I388 VanDerWaalsContact O-N 3.16Å; I388-I390 HydrophobicContact CG2-CG2 3.96Å
389	D	87.1	Confident	74	Confident	102 Å²	102	119.1 Å²	119.1	55%	0.545	61%	0.611	S	S	.	*			trans	-76.4	131.5	166	-167.5	-21.8	0	0	0	110.6	E391 T392	D389-E391 PolarHBondContact OD1-N 3.45Å; D389-T392 PolarHBondContact OD1-N 2.98Å; D389-T392 WeakPolarHBondContact OD2-CB 3.48Å; D389-T392 PolarHBondContact OD2-OG1 2.98Å
390	I	86.6	Confident	74.8	Confident	152 Å²	152	115.7 Å²	115.7	78%	0.779	59%	0.592	S	S	*	*	S	Bend	trans	-124.8	0.5	177.6	64.3	171.2	0	0	0	113.2	I388	I388-I390 HydrophobicContact CG2-CG2 3.96Å
391	E	88.1	Confident	75.4	Confident	175 Å²	175	113 Å²	113	82%	0.818	58%	0.579	S	S	*	*	S	Bend	trans	-108.6	-30.8	-177.7	-61.6	-163.4	162.3	0	0	112.4	D389 M393	D389-E391 PolarHBondContact OD1-N 3.45Å; E391-M393 PolarHBondContact O-N 2.96Å
392	T	85.5	Confident	75.8	Confident	99 Å²	99	107.2 Å²	107.2	61%	0.607	55%	0.55	S	S	*	*			trans	-70.1	121	178.7	-65.2	0	0	0	0	111.8	D389	D389-T392 PolarHBondContact OD1-N 2.98Å; D389-T392 WeakPolarHBondContact OD2-CB 3.48Å; D389-T392 PolarHBondContact OD2-OG1 2.98Å
393	M	79.2	Confident	75.8	Confident	177 Å²	177	106.6 Å²	106.6	87%	0.872	55%	0.552	S	S	*	*			trans	-91.6	104.7	171.8	-73.3	-82.7	-70	0	0	109.8	E391	E391-M393 PolarHBondContact O-N 2.96Å
394	E	79.2	Confident	75.8	Confident	157 Å²	157	105.2 Å²	105.2	73%	0.734	55%	0.545	S	S	*	.			trans	-64.8	138.5	174	-66.1	-160.8	132.6	0	0	111.9	V396	E394-V396 PolarHBondContact O-N 2.94Å
395	P	75.1	Confident	75.9	Confident	70 Å²	70	97.4 Å²	97.4	46%	0.455	51%	0.509	S	S	.	.			trans	-68.4	123	179.6	28.2	-34.1	0	0	0	110.1	Q397 E407	P395-Q397 PolarHBondContact O-N 2.93Å; P395-E407 HydrophobicContact CB-CG 4.29Å
396	V	74.3	Confident	75.8	Confident	43 Å²	43	97.8 Å²	97.8	26%	0.261	51%	0.506	S	S	.	.			trans	-74.2	99.7	-174.4	178.9	0	0	0	0	108.2	L3 E394 A398 L399 E407	L3-V396 HydrophobicContact CD1-CG1 3.56Å; E394-V396 PolarHBondContact O-N 2.94Å; V396-A398 HydrophobicContact CG1-CB 4.38Å; V396-A398 PolarHBondContact O-N 2.87Å; V396-L399 HydrophobicContact CB-CD1 4.01Å; V396-L399 HydrophobicContact CB-CG 3.91Å; V396-L399 HydrophobicContact CG1-CD1 4.47Å; V396-L399 HydrophobicContact CG1-CG 4Å; V396-L399 WeakPolarHBondContact O-CB 3.47Å; V396-L399 PolarHBondContact O-N 2.99Å; V396-E407 PolarHBondContact N-OE1 2.79Å
397	Q	74	Confident	75.2	Confident	103 Å²	103	97 Å²	97	48%	0.481	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-49.2	-31.2	-173.3	-69.9	-63.9	-26.3	0	0	113.9	R219 P395 L399 L400	R219-Q397 PolarHBondContact NH2-O 2.82Å; P395-Q397 PolarHBondContact O-N 2.93Å; Q397-L399 VanDerWaalsContact C-N 3.34Å; Q397-L399 PolarHBondContact O-N 2.88Å; Q397-L400 WeakPolarHBondContact O-CB 3.44Å; Q397-L400 PolarHBondContact O-N 3.41Å; Q397-L400 VanDerWaalsContact O-N 3.14Å; Q397-L400 VanDerWaalsContact O-O 3.1Å
398	A	72.1	Confident	74.7	Confident	26 Å²	26	89 Å²	89	22%	0.215	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-66.6	-26.8	175.8	0	0	0	0	0	114.9	L3 L315 V396 L400	L3-A398 HydrophobicContact CD1-CB 4.15Å; L3-A398 HydrophobicContact CD2-CB 3.52Å; L3-A398 HydrophobicContact CG-CB 4.36Å; L315-A398 HydrophobicContact CD2-CB 3.92Å; L315-A398 WeakPolarHBondContact CD2-O 3.38Å; V396-A398 HydrophobicContact CG1-CB 4.38Å; V396-A398 PolarHBondContact O-N 2.87Å; A398-L400 VanDerWaalsContact C-N 3.29Å
399	L	73	Confident	74.2	Confident	33 Å²	33	92.2 Å²	92.2	17%	0.173	47%	0.474	C	S	.	.	G	3₁₀ helix	trans	-75.7	-21.5	171.9	-56.5	-171.7	0	0	0	112.1	R46 V47 L315 V396 Q397	R46-L399 PolarHBondContact NH2-O 3.47Å; V47-L399 HydrophobicContact CB-CD2 4.18Å; V47-L399 HydrophobicContact CG1-CD1 4.35Å; V47-L399 HydrophobicContact CG1-CD2 3.72Å; L315-L399 HydrophobicContact CD1-CD2 3.4Å; L315-L399 VanDerWaalsContact CD1-CD2 3.4Å; L315-L399 HydrophobicContact CD2-CD2 3.91Å; L315-L399 HydrophobicContact CG-CD2 4.29Å; V396-L399 HydrophobicContact CB-CD1 4.01Å; V396-L399 HydrophobicContact CB-CG 3.91Å; V396-L399 HydrophobicContact CG1-CD1 4.47Å; V396-L399 HydrophobicContact CG1-CG 4Å; V396-L399 WeakPolarHBondContact O-CB 3.47Å; V396-L399 PolarHBondContact O-N 2.99Å; Q397-L399 VanDerWaalsContact C-N 3.34Å; Q397-L399 PolarHBondContact O-N 2.88Å
400	L	72.7	Confident	74.1	Confident	17 Å²	17	92.5 Å²	92.5	9%	0.089	48%	0.476	C	S	.	.			trans	-81.7	129.4	174.2	-53.7	-169.6	0	0	0	110.7	R219 Q397 A398 D405 E407	R219-L400 PolarHBondContact NE-O 2.88Å; Q397-L400 WeakPolarHBondContact O-CB 3.44Å; Q397-L400 PolarHBondContact O-N 3.41Å; Q397-L400 VanDerWaalsContact O-N 3.14Å; Q397-L400 VanDerWaalsContact O-O 3.1Å; A398-L400 VanDerWaalsContact C-N 3.29Å; L400-D405 HydrophobicContact CD2-CB 4.4Å; L400-D405 VanDerWaalsContact CD2-O 3.23Å; L400-D405 WeakPolarHBondContact CD2-O 3.45Å; L400-E407 HydrophobicContact CD2-CB 4.47Å; L400-E407 HydrophobicContact CD2-CG 3.54Å; L400-E407 HydrophobicContact CG-CG 4.45Å
401	S	67.3	Low	74.2	Confident	25 Å²	25	86.9 Å²	86.9	18%	0.175	45%	0.447	C	S	.	.	S	Bend	trans	-91.5	-10	-178.2	102.3	0	0	0	0	111.9	R173 R218 D405	R173-S401 PolarHBondContact NH1-O 2.9Å; R173-S401 VanDerWaalsContact NH1-O 3.07Å; R173-S401 PolarHBondContact NH1-OG 2.84Å; R218-S401 VanDerWaalsContact O-CB 3.24Å; R218-S401 WeakPolarHBondContact O-CB 3.42Å; S401-D405 WeakPolarHBondContact CB-OD2 3.19Å; S401-D405 PolarHBondContact OG-OD2 2.96Å
402	S	65.2	Low	74.3	Confident	19 Å²	19	79.3 Å²	79.3	13%	0.133	41%	0.412	C	S	.	.	S	Bend	trans	-174	154.5	-175.9	156.5	0	0	0	0	108.4	E404 D405	S402-E404 PolarHBondContact O-N 2.97Å; S402-E404 PolarHBondContact OG-N 3.23Å; S402-E404 VanDerWaalsContact OG-N 3.14Å; S402-D405 PolarHBondContact O-N 3.47Å
403	D	58.3	Low	74.3	Confident	150 Å²	150	77.3 Å²	77.3	80%	0.802	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.5	-36.9	159.1	52.7	-23.1	0	0	0	115.1
404	E	62.6	Low	74.6	Confident	112 Å²	112	74.4 Å²	74.4	52%	0.523	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	23.1	176.6	-60.9	-175.1	177	0	0	113.8	R130 R174 S402	R130-E404 VanDerWaalsContact CZ-O 3.22Å; R130-E404 PolarHBondContact NH1-O 3.16Å; R130-E404 PolarHBondContact NH2-O 3.12Å; R174-E404 IonicContact CZ-OE2 2.78Å; R174-E404 IonicContact NH1-OE2 3.91Å; R174-E404 PolarHBondContact NH1-OE2 3.31Å; R174-E404 IonicContact NH2-OE2 2.73Å; R174-E404 PolarHBondContact NH2-OE2 3.14Å; S402-E404 PolarHBondContact O-N 2.97Å; S402-E404 PolarHBondContact OG-N 3.23Å; S402-E404 VanDerWaalsContact OG-N 3.14Å
405	D	69.3	Low	74.9	Confident	8 Å²	8	67.6 Å²	67.6	4%	0.043	35%	0.345	C	S	.	.			trans	-104.9	122.6	166.8	-90.4	-68.1	0	0	0	111	R88 R130 R173 L400 S401 S402	R88-D405 IonicContact CZ-OD1 3.29Å; R88-D405 VanDerWaalsContact CZ-OD1 3.25Å; R88-D405 IonicContact NH1-OD1 3.24Å; R88-D405 PolarHBondContact NH1-OD1 2.94Å; R88-D405 IonicContact NH2-OD1 3.58Å; R88-D405 PolarHBondContact NH2-OD1 3.29Å; R130-D405 IonicContact CZ-OD1 3.57Å; R130-D405 VanDerWaalsContact CZ-OD1 3.29Å; R130-D405 IonicContact CZ-OD2 2.7Å; R130-D405 IonicContact NE-OD1 3.46Å; R130-D405 PolarHBondContact NE-OD1 3.11Å; R130-D405 IonicContact NH2-OD1 3.37Å; R130-D405 PolarHBondContact NH2-OD1 3.47Å; R130-D405 IonicContact NH2-OD2 2.67Å; R130-D405 PolarHBondContact NH2-OD2 2.76Å; R173-D405 IonicContact NH1-OD2 3.11Å; L400-D405 HydrophobicContact CD2-CB 4.4Å; L400-D405 VanDerWaalsContact CD2-O 3.23Å; L400-D405 WeakPolarHBondContact CD2-O 3.45Å; S401-D405 WeakPolarHBondContact CB-OD2 3.19Å; S401-D405 PolarHBondContact OG-OD2 2.96Å; S402-D405 PolarHBondContact O-N 3.47Å
406	E	71.9	Confident	75	Confident	163 Å²	163	69.5 Å²	69.5	76%	0.762	36%	0.36	S	S	*	.			trans	-74.2	148.8	161	-67.3	154.1	170.7	0	0	109.8	R88	R88-E406 PolarHBondContact NH2-O 2.48Å
407	E	69.3	Low	74.8	Confident	73 Å²	73	71.2 Å²	71.2	34%	0.341	37%	0.367	S	S	.	.			trans	-60.4	156.1	163.5	-69.1	-150.7	158.1	0	0	110.3	P395 V396 L400	P395-E407 HydrophobicContact CB-CG 4.29Å; V396-E407 PolarHBondContact N-OE1 2.79Å; L400-E407 HydrophobicContact CD2-CB 4.47Å; L400-E407 HydrophobicContact CD2-CG 3.54Å; L400-E407 HydrophobicContact CG-CG 4.45Å
408	C	73.5	Confident	74.3	Confident	30 Å²	30	71.2 Å²	71.2	20%	0.203	38%	0.378	C	S	.	.			trans	-97.1	98.8	176.3	-171.7	0	0	0	0	106.5	D410 I411	C408-D410 PolarHBondContact O-N 3.04Å; C408-I411 HydrophobicContact CB-CB 4.18Å; C408-I411 HydrophobicContact CB-CD1 4.49Å; C408-I411 VanDerWaalsContact O-CB 3.28Å; C408-I411 WeakPolarHBondContact O-CB 3.48Å; C408-I411 VanDerWaalsContact O-CG2 3.23Å; C408-I411 WeakPolarHBondContact O-CG2 3.44Å; C408-I411 PolarHBondContact O-N 2.97Å; C408-I411 VanDerWaalsContact O-N 3.13Å
409	E	75	Confident	73.8	Confident	203 Å²	203	74.9 Å²	74.9	95%	0.949	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.8	-41.3	-172.5	-58.6	175.8	154.8	0	0	113.1
410	D	84.5	Confident	73.1	Confident	108 Å²	108	80.3 Å²	80.3	58%	0.578	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	50.1	-174.9	-172.7	21.5	0	0	0	111.7	K91 C408	K91-D410 WeakPolarHBondContact CE-O 3.38Å; K91-D410 WeakPolarHBondContact CE-OD1 3.31Å; K91-D410 IonicContact NZ-OD1 3.27Å; K91-D410 PolarHBondContact NZ-OD1 3.22Å; K91-D410 IonicContact NZ-OD2 3.62Å; K91-D410 PolarHBondContact NZ-OD2 2.87Å; C408-D410 PolarHBondContact O-N 3.04Å
411	I	88.1	Confident	72.5	Confident	34 Å²	34	82.3 Å²	82.3	17%	0.174	44%	0.437	C	S	.	.			trans	-83.3	131.9	178.6	-172.1	158.9	0	0	0	112.7	R46 V47 D89 C408 M413	R46-I411 HydrophobicContact CB-CD1 4.08Å; R46-I411 HydrophobicContact CG-CD1 4.34Å; V47-I411 HydrophobicContact CG1-CD1 3.67Å; V47-I411 HydrophobicContact CG1-CG1 4.46Å; D89-I411 WeakPolarHBondContact O-CA 3.23Å; C408-I411 HydrophobicContact CB-CB 4.18Å; C408-I411 HydrophobicContact CB-CD1 4.49Å; C408-I411 VanDerWaalsContact O-CB 3.28Å; C408-I411 WeakPolarHBondContact O-CB 3.48Å; C408-I411 VanDerWaalsContact O-CG2 3.23Å; C408-I411 WeakPolarHBondContact O-CG2 3.44Å; C408-I411 PolarHBondContact O-N 2.97Å; C408-I411 VanDerWaalsContact O-N 3.13Å; I411-M413 HydrophobicContact CG1-SD 4.49Å; I411-M413 HydrophobicContact CG2-CG 4.11Å; I411-M413 HydrophobicContact CG2-SD 3.83Å; I411-M413 PolarHBondContact O-N 3.09Å
412	L	90	Very high	72.3	Confident	15 Å²	15	89.1 Å²	89.1	8%	0.079	47%	0.472	C	S	.	.			trans	-73.8	89.6	176.7	-174.5	62.5	0	0	0	111.2	D89 K91 V107 L108 Y414 L415	D89-L412 PolarHBondContact O-N 3.4Å; K91-L412 HydrophobicContact CG-CB 3.87Å; V107-L412 HydrophobicContact CB-CD2 4.18Å; V107-L412 HydrophobicContact CG1-CD2 4.07Å; L108-L412 HydrophobicContact CD1-CD1 4.31Å; L108-L412 HydrophobicContact CD2-CD1 3.83Å; L108-L412 HydrophobicContact CD2-CD2 4.4Å; L108-L412 HydrophobicContact CG-CD1 4.17Å; L108-L412 HydrophobicContact CG-CD2 4.13Å; L412-Y414 VanDerWaalsContact CD1-O 3.23Å; L412-Y414 WeakPolarHBondContact CD1-O 3.44Å; L412-L415 HydrophobicContact CD2-CD2 4.12Å
413	M	85.3	Confident	72.1	Confident	58 Å²	58	91.2 Å²	91.2	29%	0.286	48%	0.482	S	S	.	.			trans	-72.6	-44.6	177.5	-63.9	-60.9	-74.7	0	0	112.7	V47 S49 I411	V47-M413 HydrophobicContact CB-CE 4.19Å; V47-M413 HydrophobicContact CB-SD 4.04Å; V47-M413 HydrophobicContact CG1-CE 4.09Å; V47-M413 HydrophobicContact CG1-SD 3.55Å; V47-M413 VanDerWaalsContact CG1-SD 3.55Å; V47-M413 HydrophobicContact CG2-CE 4.06Å; V47-M413 HydrophobicContact CG2-SD 3.69Å; S49-M413 WeakPolarHBondContact CB-O 3.47Å; S49-M413 PolarHBondContact OG-O 2.81Å; I411-M413 HydrophobicContact CG1-SD 4.49Å; I411-M413 HydrophobicContact CG2-CG 4.11Å; I411-M413 HydrophobicContact CG2-SD 3.83Å; I411-M413 PolarHBondContact O-N 3.09Å
414	Y	85.8	Confident	72.2	Confident	115 Å²	115	88.8 Å²	88.8	45%	0.451	47%	0.474	S	S	.	.			trans	-138.9	158	-173	-54.9	-73.1	0	0	0	111.3	V66 L412	V66-Y414 HydrophobicContact CG2-CE1 4.15Å; L412-Y414 VanDerWaalsContact CD1-O 3.23Å; L412-Y414 WeakPolarHBondContact CD1-O 3.44Å
415	L	86.5	Confident	72	Confident	15 Å²	15	88.6 Å²	88.6	8%	0.079	48%	0.477	C	S	.	.			trans	-110.9	128	173.3	-82.4	172.5	0	0	0	110.3	L50 I62 S71 K72 V107 L108 L412 I417	L50-L415 HydrophobicContact CD1-CD1 4.01Å; L50-L415 HydrophobicContact CD1-CG 4.02Å; L50-L415 HydrophobicContact CD2-CD1 4.32Å; L50-L415 HydrophobicContact CD2-CG 4.47Å; I62-L415 HydrophobicContact CG2-CD1 3.86Å; S71-L415 WeakPolarHBondContact OG-CB 3.48Å; K72-L415 HydrophobicContact CB-CD1 4.28Å; V107-L415 HydrophobicContact CG1-CD1 3.84Å; V107-L415 HydrophobicContact CG1-CD2 4.17Å; V107-L415 HydrophobicContact CG1-CG 4.46Å; L108-L415 HydrophobicContact CD2-CD2 3.93Å; L412-L415 HydrophobicContact CD2-CD2 4.12Å; L415-I417 PolarHBondContact O-N 3.43Å
416	S	76.8	Confident	71.5	Confident	110 Å²	110	93.8 Å²	93.8	77%	0.769	50%	0.504	S	S	*	.			trans	-65.5	104.2	176.1	56	0	0	0	0	110.5
417	I	70.4	Confident	70.7	Confident	78 Å²	78	92.5 Å²	92.5	40%	0.4	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-74.7	123.8	169.5	-63.6	174.1	0	0	0	107.6	S71 L415	S71-I417 WeakPolarHBondContact OG-CG1 2.98Å; L415-I417 PolarHBondContact O-N 3.43Å
418	S	63.2	Low	69.7	Low	103 Å²	103	93 Å²	93	72%	0.72	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-64.7	129.1	164.7	-62.3	0	0	0	0	108.1	E420	S418-E420 PolarHBondContact O-N 3Å
419	P	61.2	Low	67.9	Low	104 Å²	104	95.5 Å²	95.5	68%	0.675	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-56.3	141	-178	22.8	-33.2	0	0	0	110.8	V421	P419-V421 PolarHBondContact O-N 3.35Å
420	E	59	Low	66	Low	146 Å²	146	89.2 Å²	89.2	68%	0.682	53%	0.534	S	S	*	.			trans	-69	100.3	172.7	-67.9	178	149.6	0	0	107.6	R69 S418 D422	R69-E420 IonicContact CZ-OE2 3.45Å; R69-E420 IonicContact NH1-OE1 2.81Å; R69-E420 IonicContact NH1-OE2 3.2Å; R69-E420 PolarHBondContact NH1-OE2 3.26Å; S418-E420 PolarHBondContact O-N 3Å; E420-D422 PolarHBondContact O-N 2.82Å
421	V	58.8	Low	63.5	Low	60 Å²	60	92.8 Å²	92.8	36%	0.364	55%	0.547	S	S	.	.			trans	-87.1	96.6	-179.6	175.5	0	0	0	0	108.3	P419 N423 L427	P419-V421 PolarHBondContact O-N 3.35Å; V421-N423 WeakPolarHBondContact CG1-O 3.39Å; V421-N423 PolarHBondContact O-N 2.47Å; V421-L427 HydrophobicContact CG1-CD1 4.39Å; V421-L427 HydrophobicContact CG1-CG 4.27Å; V421-L427 HydrophobicContact CG2-CD1 4.03Å; V421-L427 HydrophobicContact CG2-CG 4.23Å
422	D	63.7	Low	60.8	Low	167 Å²	167	99.9 Å²	99.9	89%	0.893	58%	0.579	S	S	*	*	S	Bend	trans	-56.3	-32.1	-178.4	-76.8	-41.4	0	0	0	113.1	E420	E420-D422 PolarHBondContact O-N 2.82Å
423	N	60.1	Low	57.9	Low	64 Å²	64	104.3 Å²	104.3	34%	0.342	61%	0.612	S	S	.	*	S	Bend	trans	-134.2	115.9	174.7	177.4	37.3	0	0	0	110.7	V421 D425 D426	V421-N423 WeakPolarHBondContact CG1-O 3.39Å; V421-N423 PolarHBondContact O-N 2.47Å; N423-D425 PolarHBondContact O-N 3.31Å; N423-D425 VanDerWaalsContact O-N 3.08Å; N423-D426 PolarHBondContact ND2-OD1 3.29Å; N423-D426 WeakPolarHBondContact O-CB 3.36Å; N423-D426 PolarHBondContact O-N 2.86Å
424	P	60.4	Low	55.2	Low	98 Å²	98	107.4 Å²	107.4	64%	0.636	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-63.2	-19	-174.6	25.4	-35	0	0	0	114.4	D426	P424-D426 VanDerWaalsContact C-N 3.29Å
425	D	60.3	Low	52.7	Low	109 Å²	109	106.3 Å²	106.3	58%	0.583	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-73.4	-18.8	174.9	-60.5	-29.6	0	0	0	112.6	N423 L427 S428	N423-D425 PolarHBondContact O-N 3.31Å; N423-D425 VanDerWaalsContact O-N 3.08Å; D425-L427 PolarHBondContact O-N 2.94Å; D425-S428 WeakPolarHBondContact O-CB 3.47Å; D425-S428 PolarHBondContact O-N 3.35Å; D425-S428 PolarHBondContact O-OG 3.22Å
426	D	58.6	Low	49.8	Very low	117 Å²	117	112.2 Å²	112.2	63%	0.626	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-68.1	-19.4	179.4	-63.7	-5.3	0	0	0	112	N423 P424 S428	N423-D426 PolarHBondContact ND2-OD1 3.29Å; N423-D426 WeakPolarHBondContact O-CB 3.36Å; N423-D426 PolarHBondContact O-N 2.86Å; P424-D426 VanDerWaalsContact C-N 3.29Å; D426-S428 VanDerWaalsContact C-N 3.35Å
427	L	53.8	Low	47.8	Very low	136 Å²	136	115.5 Å²	115.5	71%	0.712	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-79.6	-9.1	169.3	-74.6	178.2	0	0	0	113.8	V421 D425 G429	V421-L427 HydrophobicContact CG1-CD1 4.39Å; V421-L427 HydrophobicContact CG1-CG 4.27Å; V421-L427 HydrophobicContact CG2-CD1 4.03Å; V421-L427 HydrophobicContact CG2-CG 4.23Å; D425-L427 PolarHBondContact O-N 2.94Å; L427-G429 VanDerWaalsContact C-N 3.27Å; L427-G429 PolarHBondContact O-N 3.31Å
428	S	48.1	Very low	45.7	Very low	82 Å²	82	119.5 Å²	119.5	57%	0.573	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-87.4	12.8	-178.4	85.7	0	0	0	0	114.1	D425 D426 G430	D425-S428 WeakPolarHBondContact O-CB 3.47Å; D425-S428 PolarHBondContact O-N 3.35Å; D425-S428 PolarHBondContact O-OG 3.22Å; D426-S428 VanDerWaalsContact C-N 3.35Å; S428-G430 PolarHBondContact O-N 3.2Å
429	G	36.9	Very low	44.1	Very low	83 Å²	83	120.1 Å²	120.1	86%	0.856	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	59.2	175	0	0	0	0	0	113.9	L427	L427-G429 VanDerWaalsContact C-N 3.27Å; L427-G429 PolarHBondContact O-N 3.31Å
430	G	35.1	Very low	42.7	Very low	71 Å²	71	124.4 Å²	124.4	73%	0.732	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-166.9	-10.5	-177.2	0	0	0	0	0	117.9	S428	S428-G430 PolarHBondContact O-N 3.2Å
431	E	31.4	Very low	41.1	Very low	183 Å²	183	128.4 Å²	128.4	86%	0.855	73%	0.729	S	S	*	*			trans	-94.7	106.4	175.8	-66.8	-163.5	163	0	0	111.3	S433	E431-S433 PolarHBondContact O-N 2.92Å
432	E	30.8	Very low	39.8	Very low	183 Å²	183	131.3 Å²	131.3	86%	0.855	75%	0.75	S	S	*	*			trans	-61.5	106.1	172.3	-75.5	-164.7	138.3	0	0	110.7	V434	E432-V434 VanDerWaalsContact C-N 3.26Å; E432-V434 HydrophobicContact CB-CG2 4.44Å; E432-V434 PolarHBondContact O-N 3.07Å
433	S	30.6	Very low	38.1	Very low	108 Å²	108	129.3 Å²	129.3	76%	0.755	74%	0.744	S	S	*	*			trans	-75.2	78.8	173.8	47.3	0	0	0	0	110.9	E431 S435	E431-S433 PolarHBondContact O-N 2.92Å; S433-S435 PolarHBondContact O-N 3.39Å
434	V	28.1	Very low	36.8	Very low	124 Å²	124	133.5 Å²	133.5	75%	0.752	77%	0.772	S	S	*	*			trans	-64.2	79.7	172.9	-175.7	0	0	0	0	109.9	E432 T436	E432-V434 VanDerWaalsContact C-N 3.26Å; E432-V434 HydrophobicContact CB-CG2 4.44Å; E432-V434 PolarHBondContact O-N 3.07Å; V434-T436 PolarHBondContact O-N 3.37Å
435	S	32.3	Very low	35.5	Very low	92 Å²	92	132 Å²	132	64%	0.643	77%	0.773	S	S	*	*			trans	-78.6	110.8	177.8	48.9	0	0	0	0	109.6	S433 Q437	S433-S435 PolarHBondContact O-N 3.39Å; S435-Q437 PolarHBondContact O-N 3.26Å
436	T	26.6	Very low	34.2	Very low	139 Å²	139	135.3 Å²	135.3	85%	0.853	79%	0.79	S	S	*	*			trans	-67.1	94	176.2	44.9	0	0	0	0	110.9	V434	V434-T436 PolarHBondContact O-N 3.37Å
437	Q	33.9	Very low	33	Very low	178 Å²	178	134.4 Å²	134.4	83%	0.832	79%	0.793	S	S	*	*			trans	-96.4	119.9	162.5	-66	-162	7.2	0	0	110.3	S435 S439	S435-Q437 PolarHBondContact O-N 3.26Å; Q437-S439 PolarHBondContact O-N 2.85Å
438	N	27	Very low	31.8	Very low	162 Å²	162	135 Å²	135	87%	0.866	80%	0.797	S	S	*	*			trans	-73.4	112.1	167.2	-75	-39.8	0	0	0	109.2
439	S	30.1	Very low	31.1	Very low	116 Å²	116	142.2 Å²	142.2	81%	0.811	81%	0.812	S	S	*	*			trans	-162.6	129.5	148	-82	0	0	0	0	112	Q437	Q437-S439 PolarHBondContact O-N 2.85Å
440	E	30.3	Very low	30.8	Very low	195 Å²	195	147.6 Å²	147.6	91%	0.911	81%	0.811	S	S	*	*			trans	35.6	118.5	152.4	-51.1	-163.7	150.5	0	0	120.7
441	R	26.7	Very low	30.4	Very low	230 Å²	230	155.6 Å²	155.6	87%	0.868	82%	0.819	S	S	*	*			trans	-125.5	121.7	167.8	169.4	-171.3	-77.8	-155.6	-1.9	110.3
442	P	30.5	Very low	30.6	Very low	121 Å²	121	152.1 Å²	152.1	79%	0.786	81%	0.813	S	S	*	*			trans	-80.6	160.7	160.2	32.8	-31.6	0	0	0	112.2
443	T	28.3	Very low	30.7	Very low	125 Å²	125	150.2 Å²	150.2	77%	0.767	81%	0.808	S	S	*	*			trans	-104.3	132.7	-159.3	53.2	0	0	0	0	115.8
444	T	33.8	Very low	30.7	Very low	152 Å²	152	149.9 Å²	149.9	93%	0.933	81%	0.806	S	S	*	*			trans	175.6	142.6	140.7	40.4	0	0	0	0	109.1
445	G	32.4	Very low	31	Very low	65 Å²	65	150.4 Å²	150.4	67%	0.67	81%	0.812	S	S	*	*			cis	168.6	145.7	-10.4	0	0	0	0	0	111.5
446	L	32.5	Very low	30.9	Very low	180 Å²	180	151.3 Å²	151.3	94%	0.942	82%	0.818	S	S	*	*			trans	68.4	146.2	170.1	-54.6	171.7	0	0	0	117.1
447	S	34.4	Very low	31.2	Very low	98 Å²	98	152.6 Å²	152.6	69%	0.685	82%	0.817	S	S	*	*			cis	-158.7	149.8	-17.3	59.6	0	0	0	0	114.1
448	N	28.7	Very low	31.1	Very low	148 Å²	148	151.9 Å²	151.9	79%	0.791	81%	0.813	S	S	*	*			trans	16	126	152.4	-57.4	-35	0	0	0	121.7
449	R	32.3	Very low	31.1	Very low	233 Å²	233	148.7 Å²	148.7	88%	0.879	80%	0.804	S	S	*	*				-176.6	127.2	97.2	-98.3	172.7	-177.5	-170.9	1.9	116.2
450	K	31.9	Very low	31.2	Very low	196 Å²	196	151.6 Å²	151.6	85%	0.852	81%	0.81	S	S	*	*			trans	51.6	110.6	138.6	-68.1	-169.4	173	-169.1	0	122.3
451	R	26.9	Very low	31.3	Very low	239 Å²	239	145.7 Å²	145.7	90%	0.902	80%	0.802	S	S	*	*			trans	-55.7	164.6	136.2	-93.7	-175.3	-169.9	-174.1	3.3	111.8
452	P	35.5	Very low	31.5	Very low	110 Å²	110	140.8 Å²	140.8	71%	0.714	80%	0.8	S	S	*	*			cis	-135.2	-164.6	44.3	45.3	-26.3	0	0	0	113.4
453	D	32.6	Very low	31.3	Very low	143 Å²	143	143.7 Å²	143.7	77%	0.765	81%	0.808	S	S	*	*			cis	-148.2	-143.8	11.7	-145	-55	0	0	0	113.1
454	S	29.6	Very low	31.5	Very low	101 Å²	101	142.3 Å²	142.3	71%	0.706	80%	0.803	S	S	*	*			trans	-146.4	171.5	176.2	-56.9	0	0	0	0	111
455	P	35.5	Very low	31.2	Very low	136 Å²	136	145 Å²	145	88%	0.883	80%	0.802	S	S	*	*				-143.8	172.8	81.5	37.9	-20.1	0	0	0	115.4
456	S	28.6	Very low	31.1	Very low	110 Å²	110	150.6 Å²	150.6	77%	0.769	81%	0.81	S	S	*	*			trans	-101.3	155.4	-173	56.7	0	0	0	0	114.7
457	M	32.9	Very low	30.9	Very low	166 Å²	166	146.5 Å²	146.5	82%	0.818	80%	0.797	S	S	*	*			trans	-132.3	145.4	145.2	-76	-140.6	76.9	0	0	113.1
458	Q	33.8	Very low	30.6	Very low	163 Å²	163	152 Å²	152	76%	0.762	81%	0.808	S	S	*	*			trans	-42.1	127.7	175.1	-69.9	144.5	2	0	0	113.3
459	S	26.1	Very low	30.6	Very low	95 Å²	95	148.8 Å²	148.8	66%	0.664	80%	0.797	S	S	*	*				83.7	105.2	55.4	77.1	0	0	0	0	115.1
460	N	32.8	Very low	30.5	Very low	177 Å²	177	144.8 Å²	144.8	95%	0.947	79%	0.792	S	S	*	*			trans	-176.3	150	146.4	-98.7	-26.7	0	0	0	112.3
461	G	31	Very low	30.4	Very low	71 Å²	71	141.8 Å²	141.8	73%	0.732	79%	0.786	S	S	*	*			trans	94.8	126	165	0	0	0	0	0	116.5
462	P	31.8	Very low	30.8	Very low	127 Å²	127	138.5 Å²	138.5	83%	0.825	78%	0.781	S	S	*	*			trans	-87.3	144.1	175.2	34.2	-33.2	0	0	0	112.9	S464	P462-S464 PolarHBondContact O-N 2.62Å
463	L	27	Very low	30.6	Very low	183 Å²	183	140.1 Å²	140.1	96%	0.958	78%	0.783	S	S	*	*			trans	-71.2	105	174.8	-77.9	150.1	0	0	0	111.6
464	S	31.4	Very low	31.1	Very low	95 Å²	95	141.2 Å²	141.2	66%	0.664	78%	0.784	S	S	*	*			trans	-74.4	135.4	164.3	52.9	0	0	0	0	110.8	P462 H466	P462-S464 PolarHBondContact O-N 2.62Å; S464-H466 PolarHBondContact O-N 2.76Å
465	K	28.1	Very low	31.8	Very low	208 Å²	208	141.5 Å²	141.5	90%	0.904	79%	0.786	S	S	*	*			trans	-59.5	119	178.5	-62	179.9	178.2	-174.8	0	111	S467	K465-S467 PolarHBondContact O-N 3.42Å; K465-S467 VanDerWaalsContact O-N 3.16Å
466	H	30	Very low	32.8	Very low	183 Å²	183	142.4 Å²	142.4	85%	0.847	78%	0.782	S	S	*	*			trans	-74.2	101.1	169.2	-94.9	-83.6	0	0	0	110.5	S464	S464-H466 PolarHBondContact O-N 2.76Å
467	S	27.7	Very low	34.3	Very low	95 Å²	95	139 Å²	139	66%	0.664	76%	0.757	S	S	*	*			trans	-64.4	133.6	153.1	50.7	0	0	0	0	109.1	K465 S469	K465-S467 PolarHBondContact O-N 3.42Å; K465-S467 VanDerWaalsContact O-N 3.16Å; S467-S469 VanDerWaalsContact C-N 3.3Å; S467-S469 PolarHBondContact O-N 3.36Å
468	K	28	Very low	36.6	Very low	214 Å²	214	135 Å²	135	93%	0.93	74%	0.743	S	S	*	*			trans	-69.2	85.8	169.5	-70.9	-178.9	179	174.8	0	110
469	S	28.4	Very low	39.2	Very low	80 Å²	80	130.8 Å²	130.8	56%	0.559	73%	0.729	S	S	*	*			trans	-68.9	136.3	158.9	43.3	0	0	0	0	109	S467 D471	S467-S469 VanDerWaalsContact C-N 3.3Å; S467-S469 PolarHBondContact O-N 3.36Å; S469-D471 PolarHBondContact O-N 3.02Å
470	L	32	Very low	42.3	Very low	148 Å²	148	128.4 Å²	128.4	78%	0.775	71%	0.71	S	S	*	*			trans	-66.3	114	159	-92.1	68.5	0	0	0	106.9	Q472	L470-Q472 PolarHBondContact O-N 3.04Å
471	D	29.6	Very low	45.2	Very low	134 Å²	134	124.6 Å²	124.6	72%	0.717	70%	0.698	S	S	*	*			trans	-70	84.6	172.2	-81.7	-39.9	0	0	0	109.9	S469 N473	S469-D471 PolarHBondContact O-N 3.02Å; D471-N473 PolarHBondContact O-N 3.26Å
472	Q	35.2	Very low	48.2	Very low	169 Å²	169	121.7 Å²	121.7	79%	0.79	67%	0.665	S	S	*	*			trans	-72.6	32.1	167.5	-67.4	-170.8	-15	0	0	112.3	L470 Q474	L470-Q472 PolarHBondContact O-N 3.04Å; Q472-Q474 PolarHBondContact O-N 3.45Å
473	N	30	Very low	51	Low	144 Å²	144	122.6 Å²	122.6	77%	0.77	66%	0.658	S	S	*	*			trans	-74.6	60.5	162.5	-82.8	-32.1	0	0	0	109.5	D471 S475	D471-N473 PolarHBondContact O-N 3.26Å; N473-S475 VanDerWaalsContact C-N 3.28Å; N473-S475 PolarHBondContact O-N 3.14Å
474	Q	43.4	Very low	53.9	Low	167 Å²	167	114.4 Å²	114.4	78%	0.78	62%	0.615	S	S	*	*			trans	-66.1	95.2	160.3	-74.3	-173.5	-18	0	0	107.4	Q472 I476	Q472-Q474 PolarHBondContact O-N 3.45Å; Q474-I476 PolarHBondContact O-N 3.28Å; Q474-I476 VanDerWaalsContact O-N 3.16Å
475	S	45.6	Very low	56.6	Low	106 Å²	106	113.8 Å²	113.8	74%	0.741	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-52.6	120.9	162.8	53.1	0	0	0	0	107.9	N473 P477	N473-S475 VanDerWaalsContact C-N 3.28Å; N473-S475 PolarHBondContact O-N 3.14Å; S475-P477 VanDerWaalsContact O-N 3.1Å
476	I	54.8	Low	59.2	Low	156 Å²	156	107.4 Å²	107.4	80%	0.8	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-51.8	120.9	179.8	-59.7	171.2	0	0	0	107.6	Q474	Q474-I476 PolarHBondContact O-N 3.28Å; Q474-I476 VanDerWaalsContact O-N 3.16Å
477	P	61.8	Low	61.8	Low	38 Å²	38	99.8 Å²	99.8	25%	0.247	57%	0.571	C	S	.	*	P	Polyproline II helix	trans	-62.6	153.9	-173.9	25	-34.1	0	0	0	110.5	C112 S475 T479	C112-P477 HydrophobicContact CB-CB 3.89Å; C112-P477 HydrophobicContact CB-CG 4.03Å; S475-P477 VanDerWaalsContact O-N 3.1Å; P477-T479 PolarHBondContact O-N 3.01Å
478	P	79.5	Confident	64.3	Low	81 Å²	81	99.3 Å²	99.3	53%	0.526	56%	0.558	S	S	.	*			trans	-66.2	95.5	179.8	26.3	-32.8	0	0	0	110.3	E113 Q114 T115 V480	E113-P478 WeakPolarHBondContact O-CG 3.32Å; Q114-P478 HydrophobicContact CG-CG 4.38Å; T115-P478 PolarHBondContact N-O 2.95Å; P478-V480 PolarHBondContact O-N 3.14Å
479	T	88.8	Confident	66.8	Low	75 Å²	75	92.9 Å²	92.9	46%	0.46	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	111.5	175.5	-61.7	0	0	0	0	110.2	T115 Q117 P477	T115-T479 HydrophobicContact CG2-CG2 4.21Å; T115-T479 CarbonylContact O-C 3.57Å; T115-T479 VanDerWaalsContact O-CA 3.31Å; T115-T479 WeakPolarHBondContact O-CA 3.39Å; Q117-T479 HydrophobicContact CB-CG2 4.14Å; P477-T479 PolarHBondContact O-N 3.01Å
480	V	92.3	Very high	69.3	Low	46 Å²	46	96.1 Å²	96.1	28%	0.279	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.9	117.9	174.4	-178.8	0	0	0	0	109.1	T115 F116 Q117 P478 I482	T115-V480 PolarHBondContact O-N 2.98Å; F116-V480 CarbonylContact C-O 3.53Å; F116-V480 WeakPolarHBondContact CA-O 3.21Å; F116-V480 HydrophobicContact CD1-CB 3.87Å; F116-V480 HydrophobicContact CD1-CG1 4.35Å; F116-V480 HydrophobicContact CD1-CG2 4.46Å; F116-V480 HydrophobicContact CE1-CB 4.18Å; F116-V480 HydrophobicContact CE1-CG2 4.31Å; Q117-V480 PolarHBondContact N-O 3.16Å; P478-V480 PolarHBondContact O-N 3.14Å; V480-I482 HydrophobicContact CG1-CD1 4.18Å; V480-I482 PolarHBondContact O-N 3.2Å
481	S	93.1	Very high	71.7	Confident	97 Å²	97	90.9 Å²	90.9	68%	0.678	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	115.9	173.5	-60.3	0	0	0	0	110.6
482	I	93.2	Very high	74.5	Confident	10 Å²	10	88.6 Å²	88.6	5%	0.051	51%	0.514	C	S	.	.			trans	-85.7	119.3	179.8	-61.1	-62	0	0	0	109.7	F116 Q117 F118 P119 I147 G152 P154 V480 L484	F116-I482 HydrophobicContact CB-CG1 4Å; F116-I482 HydrophobicContact CD1-CD1 3.94Å; F116-I482 HydrophobicContact CD1-CG1 4.31Å; Q117-I482 PolarHBondContact O-N 2.96Å; F118-I482 HydrophobicContact CD1-CB 4.48Å; F118-I482 HydrophobicContact CD1-CG2 4.2Å; F118-I482 HydrophobicContact CE1-CB 4.5Å; F118-I482 HydrophobicContact CE1-CG2 3.98Å; F118-I482 HydrophobicContact CE2-CG1 4.26Å; F118-I482 HydrophobicContact CZ-CG1 4.32Å; F118-I482 HydrophobicContact CZ-CG2 4.37Å; P119-I482 WeakPolarHBondContact CD-O 3.27Å; I147-I482 HydrophobicContact CD1-CD1 3.67Å; I147-I482 HydrophobicContact CD1-CG1 3.89Å; I147-I482 HydrophobicContact CG1-CD1 4.38Å; G152-I482 WeakPolarHBondContact O-CD1 3.14Å; P154-I482 HydrophobicContact CB-CG2 3.96Å; P154-I482 HydrophobicContact CG-CG2 4.12Å; V480-I482 HydrophobicContact CG1-CD1 4.18Å; V480-I482 PolarHBondContact O-N 3.2Å; I482-L484 HydrophobicContact CG2-CD2 3.76Å; I482-L484 HydrophobicContact CG2-CG 3.99Å
483	H	90.7	Very high	77.1	Confident	145 Å²	145	81 Å²	81	67%	0.671	48%	0.478	S	S	*	.			trans	-91	112.7	175	179.1	-78.5	0	0	0	111
484	L	89.2	Confident	79.9	Confident	11 Å²	11	78 Å²	78	6%	0.058	47%	0.467	C	S	.	.			trans	-110.4	111.7	174.6	-61.3	-173.4	0	0	0	110.8	F118 P119 P139 V145 P154 I482 G486 A487	F118-L484 HydrophobicContact CD1-CD1 3.83Å; F118-L484 HydrophobicContact CE1-CD1 4.17Å; P119-L484 HydrophobicContact CG-CB 3.96Å; P119-L484 HydrophobicContact CG-CD1 4.35Å; P119-L484 HydrophobicContact CG-CG 4.19Å; P139-L484 HydrophobicContact CG-CD1 4.02Å; V145-L484 HydrophobicContact CG1-CD2 4.22Å; V145-L484 HydrophobicContact CG2-CD1 4.04Å; V145-L484 HydrophobicContact CG2-CD2 3.79Å; P154-L484 HydrophobicContact CB-CD2 4.46Å; I482-L484 HydrophobicContact CG2-CD2 3.76Å; I482-L484 HydrophobicContact CG2-CG 3.99Å; L484-G486 PolarHBondContact O-N 2.91Å; L484-A487 HydrophobicContact CB-CB 3.77Å; L484-A487 PolarHBondContact O-N 3.35Å
485	P	86.7	Confident	82	Confident	82 Å²	82	73.8 Å²	73.8	53%	0.532	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	129.1	175.7	-21.6	33	0	0	0	111.8	H142 A487	H142-P485 PolarHBondContact NE2-O 2.92Å; P485-A487 VanDerWaalsContact C-N 3.29Å; P485-A487 PolarHBondContact O-N 3.37Å
486	G	83.3	Confident	83.6	Confident	75 Å²	75	71.6 Å²	71.6	77%	0.773	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	-0.2	176.8	0	0	0	0	0	116	L484	L484-G486 PolarHBondContact O-N 2.91Å
487	A	84.8	Confident	83.9	Confident	22 Å²	22	66.4 Å²	66.4	18%	0.182	42%	0.416	C	S	.	.			trans	-64	138.4	175.2	0	0	0	0	0	112.5	P119 C120 L484 P485 S489	P119-A487 HydrophobicContact CG-CB 3.78Å; C120-A487 HydrophobicContact CB-CB 4.35Å; L484-A487 HydrophobicContact CB-CB 3.77Å; L484-A487 PolarHBondContact O-N 3.35Å; P485-A487 VanDerWaalsContact C-N 3.29Å; P485-A487 PolarHBondContact O-N 3.37Å; A487-S489 PolarHBondContact O-N 3.45Å
488	Q	79.9	Confident	82.7	Confident	85 Å²	85	71.5 Å²	71.5	40%	0.397	44%	0.441	S	S	.	.			trans	-86.4	107.5	-179.3	-66.4	-176.1	-9	0	0	110.7	C120 R141 D490 E491	C120-Q488 VanDerWaalsContact CB-O 3.28Å; C120-Q488 WeakPolarHBondContact CB-O 3.2Å; R141-Q488 VanDerWaalsContact NH1-OE1 3.09Å; Q488-D490 VanDerWaalsContact C-N 3.34Å; Q488-D490 PolarHBondContact O-N 3.34Å; Q488-E491 HydrophobicContact CB-CG 3.84Å
489	S	79.8	Confident	80.4	Confident	80 Å²	80	78.8 Å²	78.8	56%	0.559	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-29.4	-178.9	46.8	0	0	0	0	114.7	P119 A487 E491	P119-S489 WeakPolarHBondContact O-CA 3.49Å; A487-S489 PolarHBondContact O-N 3.45Å; S489-E491 VanDerWaalsContact C-N 3.27Å; S489-E491 PolarHBondContact O-N 3.35Å
490	D	81.9	Confident	77.6	Confident	148 Å²	148	84 Å²	84	79%	0.791	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	1.5	-165.8	-59.3	10.3	0	0	0	112.6	Q488	Q488-D490 VanDerWaalsContact C-N 3.34Å; Q488-D490 PolarHBondContact O-N 3.34Å
491	E	83.1	Confident	74.5	Confident	38 Å²	38	89.7 Å²	89.7	18%	0.178	50%	0.498	C	S	.	.			trans	-81.1	137.9	-179.8	-66.7	-107.8	101.2	0	0	111.5	P121 M140 R141 Q488 S489	P121-E491 WeakPolarHBondContact CD-O 3.2Å; P121-E491 HydrophobicContact CG-CB 4.3Å; P121-E491 WeakPolarHBondContact CG-O 3.5Å; M140-E491 HydrophobicContact CE-CB 3.71Å; M140-E491 HydrophobicContact CE-CG 4.41Å; R141-E491 WeakPolarHBondContact CD-OE2 3.21Å; R141-E491 IonicContact CZ-OE1 2.81Å; R141-E491 IonicContact CZ-OE2 2.76Å; R141-E491 IonicContact NE-OE1 2.65Å; R141-E491 IonicContact NE-OE2 2.62Å; R141-E491 PolarHBondContact NE-OE2 2.94Å; R141-E491 IonicContact NH1-OE1 3.29Å; R141-E491 PolarHBondContact NH1-OE1 3.26Å; R141-E491 IonicContact NH1-OE2 3.98Å; R141-E491 PolarHBondContact NH1-OE2 3.46Å; R141-E491 IonicContact NH2-OE1 2.92Å; R141-E491 PolarHBondContact NH2-OE1 2.59Å; R141-E491 IonicContact NH2-OE2 3.8Å; R141-E491 PolarHBondContact NH2-OE2 3.26Å; Q488-E491 HydrophobicContact CB-CG 3.84Å; S489-E491 VanDerWaalsContact C-N 3.27Å; S489-E491 PolarHBondContact O-N 3.35Å
492	V	87.2	Confident	71.2	Confident	86 Å²	86	90.4 Å²	90.4	52%	0.521	50%	0.503	S	S	.	.			trans	-108.4	133.3	179.9	176.2	0	0	0	0	109.8	V496	V492-V496 HydrophobicContact CG1-CB 3.77Å; V492-V496 HydrophobicContact CG1-CG1 3.94Å
493	H	90	Very high	68.1	Low	9 Å²	9	95.5 Å²	95.5	4%	0.042	53%	0.534	C	S	.	.			trans	-57	136	-177.6	-171.6	-95.2	0	0	0	112.1	T98 P121 V122 M123 L495 V496	T98-H493 HydrophobicContact CG2-CB 3.88Å; T98-H493 WeakPolarHBondContact CG2-ND1 3.29Å; P121-H493 HydrophobicContact CB-CB 3.94Å; P121-H493 HydrophobicContact CG-CB 4.43Å; V122-H493 PolarHBondContact O-CD2 3.31Å; V122-H493 PolarHBondContact O-NE2 3.49Å; M123-H493 VanDerWaalsContact SD-CD2 3.55Å; M123-H493 PolarHBondContact SD-NE2 3.15Å; H493-L495 PolarHBondContact ND1-N 2.98Å; H493-L495 PolarHBondContact O-N 2.77Å; H493-V496 WeakPolarHBondContact O-CA 3.46Å; H493-V496 PolarHBondContact O-N 3.35Å
494	P	89.5	Confident	65.1	Low	82 Å²	82	97.4 Å²	97.4	53%	0.532	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.2	-171.9	-29.4	37.2	0	0	0	117	M123 M140	M123-P494 HydrophobicContact CE-CG 4.07Å; M123-P494 HydrophobicContact SD-CG 4.33Å; M140-P494 HydrophobicContact SD-CG 3.84Å
495	L	86.4	Confident	62.2	Low	77 Å²	77	101.4 Å²	101.4	40%	0.403	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.7	-29.1	172.3	-65.7	171.9	0	0	0	112.8	I40 C82 T98 H493 G497	I40-L495 HydrophobicContact CD1-CD1 4.49Å; I40-L495 HydrophobicContact CG2-CD1 3.67Å; I40-L495 HydrophobicContact CG2-CD2 4.35Å; C82-L495 HydrophobicContact CB-CD1 3.79Å; T98-L495 HydrophobicContact CG2-CB 4.25Å; T98-L495 HydrophobicContact CG2-CD1 4.21Å; H493-L495 PolarHBondContact ND1-N 2.98Å; H493-L495 PolarHBondContact O-N 2.77Å; L495-G497 PolarHBondContact O-N 3.15Å
496	V	79	Confident	59.3	Low	61 Å²	61	105.5 Å²	105.5	37%	0.37	59%	0.585	S	S	.	*	S	Bend	trans	-83.1	64.3	175	-171.8	0	0	0	0	108.1	T98 V492 H493	T98-V496 HydrophobicContact CG2-CG2 4.19Å; V492-V496 HydrophobicContact CG1-CB 3.77Å; V492-V496 HydrophobicContact CG1-CG1 3.94Å; H493-V496 WeakPolarHBondContact O-CA 3.46Å; H493-V496 PolarHBondContact O-N 3.35Å
497	G	60.8	Low	56.8	Low	47 Å²	47	106.4 Å²	106.4	49%	0.485	58%	0.58	S	S	.	*			trans	-54.6	140	-177.8	0	0	0	0	0	111.7	L495 R499	L495-G497 PolarHBondContact O-N 3.15Å; G497-R499 VanDerWaalsContact C-N 3.29Å; G497-R499 PolarHBondContact O-N 3.09Å
498	N	38	Very low	54.2	Low	144 Å²	144	109.1 Å²	109.1	77%	0.77	61%	0.61	S	S	*	*			trans	-53.1	74.4	-168	-99.8	-41.9	0	0	0	115.6	K500	N498-K500 PolarHBondContact O-N 3.14Å
499	R	31.6	Very low	51.8	Low	235 Å²	235	111.5 Å²	111.5	89%	0.887	63%	0.63	S	S	*	*			trans	-74.6	64.2	166.3	-72.6	-173.9	175.6	-175.9	-0.2	109.7	G497 Q501	G497-R499 VanDerWaalsContact C-N 3.29Å; G497-R499 PolarHBondContact O-N 3.09Å; R499-Q501 PolarHBondContact O-N 3.16Å
500	K	28.9	Very low	49.4	Very low	185 Å²	185	115.3 Å²	115.3	80%	0.804	64%	0.644	S	S	*	*			trans	-63	91.5	159.1	-77.4	-165	175.1	-173.5	0	107.6	N498 S502	N498-K500 PolarHBondContact O-N 3.14Å; K500-S502 PolarHBondContact O-N 3.34Å
501	Q	28	Very low	46.8	Very low	164 Å²	164	116.4 Å²	116.4	77%	0.766	65%	0.645	S	S	*	*			trans	-52.4	123.1	167.5	-68.8	-177.2	-4.9	0	0	107.3	R499 V503	R499-Q501 PolarHBondContact O-N 3.16Å; Q501-V503 HydrophobicContact CB-CG2 4.26Å; Q501-V503 PolarHBondContact O-N 3.5Å
502	S	24.3	Very low	44.3	Very low	112 Å²	112	122.1 Å²	122.1	78%	0.783	67%	0.671	S	S	*	*			trans	-77.2	69.5	177.3	44.5	0	0	0	0	109.6	K500 K504	K500-S502 PolarHBondContact O-N 3.34Å; S502-K504 PolarHBondContact O-N 3.42Å
503	V	27.7	Very low	41.5	Very low	118 Å²	118	124.2 Å²	124.2	72%	0.715	68%	0.675	S	S	*	*			trans	-62.8	86.2	168.3	-177.1	0	0	0	0	107.5	Q501 S505	Q501-V503 HydrophobicContact CB-CG2 4.26Å; Q501-V503 PolarHBondContact O-N 3.5Å; V503-S505 VanDerWaalsContact C-N 3.34Å; V503-S505 PolarHBondContact O-N 2.57Å
504	K	27.5	Very low	38.6	Very low	184 Å²	184	130.8 Å²	130.8	80%	0.8	71%	0.705	S	S	*	*			trans	-64.6	98.8	167.9	-78.8	-175	173.4	-178.4	0	107.2	S502 I506	S502-K504 PolarHBondContact O-N 3.42Å; K504-I506 PolarHBondContact O-N 3.35Å
505	S	28	Very low	35.7	Very low	96 Å²	96	133 Å²	133	67%	0.671	71%	0.708	S	S	*	*			trans	-59.4	101.1	167.9	52.7	0	0	0	0	109.2	V503 S507	V503-S505 VanDerWaalsContact C-N 3.34Å; V503-S505 PolarHBondContact O-N 2.57Å; S505-S507 PolarHBondContact O-N 3.48Å
506	I	26.3	Very low	33.1	Very low	168 Å²	168	136.8 Å²	136.8	86%	0.862	72%	0.724	S	S	*	*			trans	-77.8	73.6	171.3	-55.8	178.5	0	0	0	107.7	K504	K504-I506 PolarHBondContact O-N 3.35Å
507	S	31.2	Very low	30.7	Very low	94 Å²	94	141.3 Å²	141.3	66%	0.657	74%	0.741	S	S	*	*			trans	-92.7	101.7	169.1	54.5	0	0	0	0	108.6	S505	S505-S507 PolarHBondContact O-N 3.48Å
508	G	28.9	Very low	29.3	Very low	79 Å²	79	147.4 Å²	147.4	81%	0.814	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-66.9	132.3	-176.8	0	0	0	0	0	112.9
509	T	29.1	Very low	28.9	Very low	134 Å²	134	146.9 Å²	146.9	82%	0.822	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-97.1	119.7	175.3	51.7	0	0	0	0	111.1
510	N	29.4	Very low	28.9	Very low	160 Å²	160	140.7 Å²	140.7	86%	0.856	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-103.9	158.6	158.4	-99.8	-28.8	0	0	0	109.8
511	H	27.7	Very low	28.9	Very low	172 Å²	172	136.7 Å²	136.7	80%	0.796	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-67.3	162.5	-173.2	-56.2	-47	0	0	0	112.8
512	H	31.2	Very low	29.2	Very low	158 Å²	158	136 Å²	136	73%	0.731	75%	0.749	S	S	*	*				-163.8	170.4	57.2	-131.4	27.7	0	0	0	114.9
513	H	29	Very low	29.5	Very low	130 Å²	130	139.8 Å²	139.8	60%	0.602	75%	0.751	S	S	*	*			trans	-4.8	156.4	152.7	-69.4	-4.8	0	0	0	121.1
514	Q	28.8	Very low	29.7	Very low	146 Å²	146	141.3 Å²	141.3	68%	0.682	76%	0.755	S	S	*	*			cis	-172.3	-175.6	2.1	-106.3	164.5	-18.9	0	0	107.6
515	H	29.3	Very low	29.9	Very low	129 Å²	129	137.6 Å²	137.6	60%	0.597	75%	0.747	S	S	*	*			cis	-156.4	-178.2	4.4	-149.9	-99.4	0	0	0	111
516	H	31.8	Very low	30	Very low	157 Å²	157	139.9 Å²	139.9	73%	0.727	75%	0.752	S	S	*	*			trans	80.1	161.8	153.5	-80.4	-54.9	0	0	0	123.5
517	Q	26.9	Very low	30.3	Very low	156 Å²	156	140 Å²	140	73%	0.729	75%	0.749	S	S	*	*			trans	-144.5	160.3	-156	-54.7	153	-69.6	0	0	110.5
518	H	31.6	Very low	30.3	Very low	174 Å²	174	140.5 Å²	140.5	81%	0.806	75%	0.752	S	S	*	*				-171.5	168.3	118.4	-110.4	-57.2	0	0	0	114.4
519	D	29.7	Very low	30.2	Very low	134 Å²	134	141.8 Å²	141.8	72%	0.717	75%	0.749	S	S	*	*			trans	-88.7	-173.2	-173.4	-34.3	-103.1	0	0	0	112.3
520	S	32.1	Very low	30.3	Very low	104 Å²	104	140 Å²	140	73%	0.727	74%	0.738	S	S	*	*			cis	-160.1	147.3	8.6	31.8	0	0	0	0	113.9
521	S	29	Very low	30.2	Very low	102 Å²	102	139 Å²	139	71%	0.713	74%	0.738	S	S	*	*			trans	38.1	132.9	145.7	68.5	0	0	0	0	124
522	T	33.8	Very low	30.4	Very low	150 Å²	150	141.1 Å²	141.1	92%	0.92	74%	0.741	S	S	*	*				-158.9	160.3	114.2	7.9	0	0	0	0	113.6
523	K	30.4	Very low	30.2	Very low	191 Å²	191	137.2 Å²	137.2	83%	0.83	74%	0.743	S	S	*	*			trans	-87.6	151.2	-166.6	-57.2	163.5	175.2	172.1	0	113.6
524	L	31.7	Very low	30.1	Very low	150 Å²	150	139.6 Å²	139.6	79%	0.785	76%	0.759	S	S	*	*				176.4	123.5	105.4	-94.4	165.1	0	0	0	115.7
525	T	31.6	Very low	30.3	Very low	105 Å²	105	138.5 Å²	138.5	64%	0.644	77%	0.767	S	S	*	*			trans	40.4	121.6	145.7	50.5	0	0	0	0	124.2
526	N	30.5	Very low	30.3	Very low	145 Å²	145	140.2 Å²	140.2	78%	0.775	78%	0.781	S	S	*	*			trans	69.9	146.8	135.7	-58.2	-9.3	0	0	0	119
527	Q	32.7	Very low	30.3	Very low	169 Å²	169	138 Å²	138	79%	0.79	78%	0.784	S	S	*	*			cis	-149.8	147.6	16.9	-148.1	164.9	31.3	0	0	113.9
528	S	31.5	Very low	30.4	Very low	105 Å²	105	141.4 Å²	141.4	73%	0.734	79%	0.79	S	S	*	*			trans	45.3	109.3	156.6	54.1	0	0	0	0	121.5
529	S	26.7	Very low	30.5	Very low	106 Å²	106	141.6 Å²	141.6	74%	0.741	79%	0.788	S	S	*	*			trans	-66.9	-178	146.5	60.3	0	0	0	0	111
530	T	31.1	Very low	30.7	Very low	97 Å²	97	141.7 Å²	141.7	60%	0.595	79%	0.789	S	S	*	*				-171.2	132.5	54.3	-42.1	0	0	0	0	112.7	Y532	T530-Y532 HydrophobicContact CG2-CD2 4.05Å; T530-Y532 HydrophobicContact CG2-CE2 3.67Å
531	T	26.4	Very low	30.7	Very low	140 Å²	140	142.7 Å²	142.7	86%	0.859	79%	0.786	S	S	*	*			trans	-85.7	144.4	161.7	21.5	0	0	0	0	111.1
532	Y	31.8	Very low	31	Very low	216 Å²	216	142.8 Å²	142.8	85%	0.847	78%	0.783	S	S	*	*			trans	-121.6	125.3	171.8	-90.9	-80.7	0	0	0	112.3	T530	T530-Y532 HydrophobicContact CG2-CD2 4.05Å; T530-Y532 HydrophobicContact CG2-CE2 3.67Å
533	G	27.8	Very low	31	Very low	76 Å²	76	146.1 Å²	146.1	78%	0.784	78%	0.778	S	S	*	*			trans	-99.2	167.8	170.6	0	0	0	0	0	112.6
534	L	27.8	Very low	31.3	Very low	180 Å²	180	145.5 Å²	145.5	94%	0.942	78%	0.778	S	S	*	*			trans	-89.7	144	-176.8	-67.6	132.1	0	0	0	113
535	S	31.4	Very low	31.4	Very low	122 Å²	122	149 Å²	149	85%	0.853	78%	0.781	S	S	*	*			trans	-157.2	135	148.7	62.4	0	0	0	0	112
536	N	29	Very low	31.6	Very low	165 Å²	165	150 Å²	150	88%	0.882	78%	0.783	S	S	*	*			trans	-92.9	146.1	179.2	-82.5	-57.7	0	0	0	112.8
537	S	32.3	Very low	31.8	Very low	112 Å²	112	153.1 Å²	153.1	78%	0.783	78%	0.783	S	S	*	*			trans	-163.2	128	131	-176.1	0	0	0	0	114.9
538	R	29.5	Very low	32.2	Very low	226 Å²	226	152.1 Å²	152.1	85%	0.853	79%	0.789	S	S	*	*			trans	-18.8	147.1	146	-65.2	163.1	168.5	171.3	-5.4	114.7
539	K	33.2	Very low	32.6	Very low	178 Å²	178	155.8 Å²	155.8	77%	0.774	79%	0.791	S	S	*	*				-176.6	143.8	57.3	-133.1	162.9	-174.9	-177.2	0	112.9
540	N	33.7	Very low	33.4	Very low	136 Å²	136	156.5 Å²	156.5	73%	0.727	80%	0.797	S	S	*	*			trans	63.8	159.6	148.8	-63.9	8.3	0	0	0	119.5
541	N	33.1	Very low	34.1	Very low	125 Å²	125	163.3 Å²	163.3	67%	0.668	81%	0.811	S	S	*	*			cis	-158.5	143	12.1	-140.1	12.4	0	0	0	114.6
542	T	35	Very low	35.3	Very low	105 Å²	105	170.1 Å²	170.1	64%	0.644	83%	0.829	S	S	*	*			trans	55.9	156.4	149.6	54.1	0	0	0	0	121.5
543	R	34.9	Very low	35.5	Very low	220 Å²	220	167.9 Å²	167.9	83%	0.83	83%	0.828	S	S	*	*			cis	-168.1	137.3	-11.9	-110.4	170.5	-179.8	-175.7	1.3	107.7
544	Q	34.9	Very low	35.9	Very low	178 Å²	178	172.7 Å²	172.7	83%	0.832	83%	0.831	S	S	*	*				170.4	136.7	106.9	-96.5	167.6	-73.9	0	0	106.3
545	R	34.1	Very low	36.3	Very low	222 Å²	222	172.3 Å²	172.3	84%	0.838	82%	0.824	S	S	*	*				53.4	134.8	85.7	-71.8	-169.1	-175.7	177.1	1	114.2
546	D	36	Very low	36.6	Very low	128 Å²	128	175.2 Å²	175.2	68%	0.684	82%	0.823	S	S	*	*			cis	-147.4	-173.9	25.4	-129.7	-55.5	0	0	0	116.1
547	R	35	Very low	37.1	Very low	209 Å²	209	175.9 Å²	175.9	79%	0.789	82%	0.819	S	S	*	*			trans	-69.7	156.2	-169.3	-61.8	151.5	156.3	166.4	-6.4	117.5
548	V	40.9	Very low	37.4	Very low	149 Å²	149	180.1 Å²	180.1	90%	0.903	82%	0.821	S	S	*	*			trans	-128.7	153.1	137.5	179.2	0	0	0	0	109.2
549	K	39.9	Very low	38	Very low	181 Å²	181	176.9 Å²	176.9	79%	0.787	82%	0.819	S	S	*	*			trans	-111.3	155.2	179.4	-60.7	169.4	179	169.7	0	111.1
550	S	44.4	Very low	38.3	Very low	122 Å²	122	176.8 Å²	176.8	85%	0.853	82%	0.822	S	S	*	*			trans	-132.7	163	139.6	63.6	0	0	0	0	109.9
551	R	45.1	Very low	38.7	Very low	240 Å²	240	180.2 Å²	180.2	91%	0.906	83%	0.83	S	S	*	*			trans	-135.4	123.5	175	-89.6	176.8	160.1	179.8	-7.8	107.3
552	K	51.4	Low	39.2	Very low	283 Å²	283	185.2 Å²	185.2	100%	1.23	85%	0.845	S	S	*	*				-171.1	0	115.3	-106.1	-173.5	172.6	-170.2	0	109.5

Retrieved 552 of 552 residues in 822.3 ms (Link to these results)

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