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Isoform 3 of Tripartite motif-containing protein 16 AlphaSync

Canonical isoform description: E3 ubiquitin ligase that plays an essential role in the organization of autophagic response and ubiquitination upon lysosomal and phagosomal damages. Plays a role in the stress-induced biogenesis and degradation of protein aggresomes by regulating the p62-KEAP1-NRF2 signaling and particularly by modulating the ubiquitination levels and thus stability of NRF2. Acts as a scaffold protein and facilitates autophagic degradation of protein aggregates by interacting with p62/SQSTM, ATG16L1 and LC3B/MAP1LC3B. In turn, protects the cell against oxidative stress-induced cell death as a consequence of endomembrane damage.

AlphaFold DB , UniProt , Accession Q99PP9-3 (canonical: Q99PP9), Species MOUSE (Mus musculus, Mouse), Gene Trim16, Length 469 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	59.4	Low	78.2	Confident	171 Å²	171	103.7 Å²	103.7	84%	0.842	52%	0.515	S	S	*	.				0	130.3	0	-140.4	175.7	-74.4	0	0	106.4	L32	M1-L32 HydrophobicContact CB-CD1 4.32Å; M1-L32 HydrophobicContact CE-CD2 3.74Å; M1-L32 HydrophobicContact SD-CD1 4.3Å; M1-L32 HydrophobicContact SD-CD2 3.72Å
2	V	65.6	Low	78.4	Confident	94 Å²	94	96.9 Å²	96.9	57%	0.57	48%	0.481	S	S	*	.			trans	-120.2	121.7	-177	-175.4	0	0	0	0	106.9	Y4	V2-Y4 HydrophobicContact CB-CE1 4.48Å; V2-Y4 HydrophobicContact CB-CE2 3.91Å; V2-Y4 HydrophobicContact CG1-CD1 4.44Å; V2-Y4 HydrophobicContact CG1-CE1 3.97Å; V2-Y4 HydrophobicContact CG1-CE2 4.24Å; V2-Y4 VanDerWaalsContact O-CD2 3.26Å; V2-Y4 WeakPolarHBondContact O-CD2 3.46Å; V2-Y4 WeakPolarHBondContact O-CE2 3.3Å; V2-Y4 PolarHBondContact O-N 3.34Å
3	N	75	Confident	78.6	Confident	73 Å²	73	97.7 Å²	97.7	39%	0.39	48%	0.482	S	S	.	.			trans	-76.9	115.5	176.2	-77	-27.4	0	0	0	108.4	P26 A27	N3-P26 HydrophobicContact CB-CB 4.49Å; N3-P26 WeakPolarHBondContact OD1-CB 3.15Å; N3-A27 PolarHBondContact ND2-O 2.92Å
4	Y	77.8	Confident	78.9	Confident	96 Å²	96	101 Å²	101	38%	0.376	50%	0.496	S	S	.	.			trans	-98.3	133.6	176.6	-64.9	-75	0	0	0	109.6	V2 H8 H12	V2-Y4 HydrophobicContact CB-CE1 4.48Å; V2-Y4 HydrophobicContact CB-CE2 3.91Å; V2-Y4 HydrophobicContact CG1-CD1 4.44Å; V2-Y4 HydrophobicContact CG1-CE1 3.97Å; V2-Y4 HydrophobicContact CG1-CE2 4.24Å; V2-Y4 VanDerWaalsContact O-CD2 3.26Å; V2-Y4 WeakPolarHBondContact O-CD2 3.46Å; V2-Y4 WeakPolarHBondContact O-CE2 3.3Å; V2-Y4 PolarHBondContact O-N 3.34Å; Y4-H8 HydrophobicContact CD1-CB 3.73Å; Y4-H8 HydrophobicContact CG-CB 4.44Å; Y4-H12 AromaticContact CZ-NE2 3.82Å
5	C	82	Confident	79.1	Confident	70 Å²	70	99.1 Å²	99.1	47%	0.473	49%	0.489	S	S	.	.			trans	-72	164.9	161.5	74	0	0	0	0	109.5	E7 H8 L9	C5-E7 PolarHBondContact O-N 3.39Å; C5-E7 VanDerWaalsContact O-N 3.09Å; C5-H8 CarbonylContact O-C 3.56Å; C5-H8 PolarHBondContact O-N 3.15Å; C5-H8 PolarHBondContact SG-ND1 3.13Å; C5-L9 PolarHBondContact O-N 3.32Å
6	E	81.5	Confident	79.2	Confident	174 Å²	174	99.3 Å²	99.3	81%	0.813	50%	0.503	S	S	*	.	H	α-helix	trans	-52.1	-37.9	-173.7	-143.2	171.8	-165.9	0	0	113.4	L9 R10	E6-L9 PolarHBondContact O-N 3.01Å; E6-R10 PolarHBondContact O-N 2.96Å
7	E	82.4	Confident	79.3	Confident	127 Å²	127	103.7 Å²	103.7	59%	0.593	52%	0.518	S	S	*	.	H	α-helix	trans	-68.2	-35.9	177.3	-61.6	-131.1	113	0	0	113.5	C5 R10	C5-E7 PolarHBondContact O-N 3.39Å; C5-E7 VanDerWaalsContact O-N 3.09Å; E7-R10 WeakPolarHBondContact O-CB 3.42Å; E7-R10 IonicContact OE1-CZ 2.73Å; E7-R10 IonicContact OE1-NH1 3.88Å; E7-R10 IonicContact OE1-NH2 3.79Å; E7-R10 PolarHBondContact OE1-NH2 3.05Å
8	H	83.3	Confident	79.2	Confident	121 Å²	121	100.4 Å²	100.4	56%	0.56	50%	0.502	S	S	*	.	H	α-helix	trans	-87.2	-13.3	179.5	-63.1	112.1	0	0	0	113	Y4 C5 P11	Y4-H8 HydrophobicContact CD1-CB 3.73Å; Y4-H8 HydrophobicContact CG-CB 4.44Å; C5-H8 CarbonylContact O-C 3.56Å; C5-H8 PolarHBondContact O-N 3.15Å; C5-H8 PolarHBondContact SG-ND1 3.13Å; H8-P11 WeakPolarHBondContact O-CD 3.41Å
9	L	85.9	Confident	79.1	Confident	46 Å²	46	101.6 Å²	101.6	24%	0.241	51%	0.506	C	S	.	.	H	α-helix	trans	-76	-31.5	169.7	-164	75.4	0	0	0	111.4	C5 E6 P11 H12 Q13 L23	C5-L9 PolarHBondContact O-N 3.32Å; E6-L9 PolarHBondContact O-N 3.01Å; L9-P11 VanDerWaalsContact C-CD 3.47Å; L9-H12 WeakPolarHBondContact O-CB 3.47Å; L9-H12 PolarHBondContact O-N 3.27Å; L9-Q13 PolarHBondContact O-N 3.24Å; L9-L23 HydrophobicContact CD1-CD1 3.89Å; L9-L23 HydrophobicContact CD1-CD2 3.62Å; L9-L23 HydrophobicContact CD1-CG 4.3Å; L9-L23 HydrophobicContact CD2-CD1 4.46Å; L9-L23 HydrophobicContact CG-CD1 4.17Å
10	R	84.1	Confident	79	Confident	107 Å²	107	101.6 Å²	101.6	40%	0.404	52%	0.516	S	S	.	.	H	α-helix	trans	-50.3	-44.6	-175	-148.7	-174.5	-64.1	148.9	3.6	114.2	E6 E7 H12 Q13 E14	E6-R10 PolarHBondContact O-N 2.96Å; E7-R10 WeakPolarHBondContact O-CB 3.42Å; E7-R10 IonicContact OE1-CZ 2.73Å; E7-R10 IonicContact OE1-NH1 3.88Å; E7-R10 IonicContact OE1-NH2 3.79Å; E7-R10 PolarHBondContact OE1-NH2 3.05Å; R10-H12 VanDerWaalsContact C-N 3.27Å; R10-H12 PolarHBondContact O-N 3.35Å; R10-Q13 PolarHBondContact O-N 3.17Å; R10-E14 WeakPolarHBondContact CD-OE1 3.17Å; R10-E14 HydrophobicContact CG-CG 4.31Å; R10-E14 VanDerWaalsContact CG-OE1 3.28Å; R10-E14 WeakPolarHBondContact CG-OE1 3.41Å; R10-E14 PolarHBondContact O-N 3.49Å
11	P	83.1	Confident	78.9	Confident	62 Å²	62	101.3 Å²	101.3	40%	0.403	51%	0.512	S	S	.	.	H	α-helix	trans	-62.3	-29.1	176.9	-22.4	34.4	0	0	0	114.2	H8 L9 Q13 N15 L18	H8-P11 WeakPolarHBondContact O-CD 3.41Å; L9-P11 VanDerWaalsContact C-CD 3.47Å; P11-Q13 VanDerWaalsContact C-N 3.26Å; P11-Q13 PolarHBondContact O-N 2.94Å; P11-N15 WeakPolarHBondContact O-CB 3.27Å; P11-N15 PolarHBondContact O-N 3.41Å; P11-N15 VanDerWaalsContact O-N 3.09Å; P11-L18 HydrophobicContact CB-CD1 4.4Å
12	H	81.2	Confident	79.7	Confident	22 Å²	22	102 Å²	102	10%	0.102	51%	0.513	C	S	.	.	H	α-helix	trans	-73.7	-19.4	175.8	-71.7	-82.8	0	0	0	112.8	Y4 L9 R10 H21 L23	Y4-H12 AromaticContact CZ-NE2 3.82Å; L9-H12 WeakPolarHBondContact O-CB 3.47Å; L9-H12 PolarHBondContact O-N 3.27Å; R10-H12 VanDerWaalsContact C-N 3.27Å; R10-H12 PolarHBondContact O-N 3.35Å; H12-H21 AromaticContact CE1-CE1 3.88Å; H12-H21 AromaticContact CE1-ND1 3.2Å; H12-H21 PolarHBondContact CE1-ND1 3.19Å; H12-H21 AromaticContact ND1-CG 3.85Å; H12-H21 AromaticContact ND1-ND1 3.29Å; H12-H21 PolarHBondContact ND1-ND1 2.92Å; H12-L23 HydrophobicContact CB-CD1 4.45Å; H12-L23 HydrophobicContact CB-CD2 4.35Å
13	Q	80.7	Confident	80.1	Confident	107 Å²	107	101.2 Å²	101.2	50%	0.5	51%	0.505	S	S	.	.	H	α-helix	trans	-96.7	-28.6	177.2	-63.5	178.2	-20	0	0	112.8	L9 R10 P11 H19 L23	L9-Q13 PolarHBondContact O-N 3.24Å; R10-Q13 PolarHBondContact O-N 3.17Å; P11-Q13 VanDerWaalsContact C-N 3.26Å; P11-Q13 PolarHBondContact O-N 2.94Å; Q13-H19 PolarHBondContact O-CE1 2.87Å; Q13-H19 PolarHBondContact O-NE2 3.44Å; Q13-L23 HydrophobicContact CG-CD1 4.25Å
14	E	82.9	Confident	80.1	Confident	144 Å²	144	102.6 Å²	102.6	67%	0.673	52%	0.517	S	S	*	.	H	α-helix	trans	-100.2	-24	-173.7	-67.4	177.4	173	0	0	113.5	R10	R10-E14 WeakPolarHBondContact CD-OE1 3.17Å; R10-E14 HydrophobicContact CG-CG 4.31Å; R10-E14 VanDerWaalsContact CG-OE1 3.28Å; R10-E14 WeakPolarHBondContact CG-OE1 3.41Å; R10-E14 PolarHBondContact O-N 3.49Å
15	N	82	Confident	79.8	Confident	73 Å²	73	106.7 Å²	106.7	39%	0.39	54%	0.539	S	S	.	.			trans	-93.8	116.6	-178	-165.6	-28.8	0	0	0	111.1	P11 K17 L18 H19	P11-N15 WeakPolarHBondContact O-CB 3.27Å; P11-N15 PolarHBondContact O-N 3.41Å; P11-N15 VanDerWaalsContact O-N 3.09Å; N15-K17 PolarHBondContact O-N 3.47Å; N15-K17 PolarHBondContact OD1-N 3.01Å; N15-K17 VanDerWaalsContact OD1-N 3.12Å; N15-L18 HydrophobicContact CB-CB 4.35Å; N15-L18 HydrophobicContact CB-CD1 4.14Å; N15-L18 HydrophobicContact CB-CG 4.28Å; N15-L18 PolarHBondContact O-N 3.21Å; N15-H19 PolarHBondContact O-N 3.04Å
16	S	80	Confident	78.9	Confident	102 Å²	102	107.7 Å²	107.7	71%	0.713	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-25.4	179.4	60.1	0	0	0	0	114.2
17	K	81.3	Confident	78	Confident	174 Å²	174	100.9 Å²	100.9	76%	0.757	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-20.8	175.7	-64.7	-169.9	179.1	-176.5	0	114.1	N15	N15-K17 PolarHBondContact O-N 3.47Å; N15-K17 PolarHBondContact OD1-N 3.01Å; N15-K17 VanDerWaalsContact OD1-N 3.12Å
18	L	77.5	Confident	76.8	Confident	45 Å²	45	102.3 Å²	102.3	24%	0.236	52%	0.523	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-5.6	-174.8	-64	176.6	0	0	0	113.3	P11 N15 S20 H21	P11-L18 HydrophobicContact CB-CD1 4.4Å; N15-L18 HydrophobicContact CB-CB 4.35Å; N15-L18 HydrophobicContact CB-CD1 4.14Å; N15-L18 HydrophobicContact CB-CG 4.28Å; N15-L18 PolarHBondContact O-N 3.21Å; L18-S20 PolarHBondContact O-N 2.88Å; L18-S20 VanDerWaalsContact O-N 3.12Å; L18-H21 WeakPolarHBondContact O-CB 3.49Å; L18-H21 PolarHBondContact O-N 3.34Å
19	H	77.6	Confident	75.5	Confident	123 Å²	123	103 Å²	103	57%	0.569	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.1	176.6	-90.5	-44.1	0	0	0	114.9	Q13 N15 H21	Q13-H19 PolarHBondContact O-CE1 2.87Å; Q13-H19 PolarHBondContact O-NE2 3.44Å; N15-H19 PolarHBondContact O-N 3.04Å; H19-H21 PolarHBondContact O-N 3.38Å
20	S	77.5	Confident	73.9	Confident	101 Å²	101	108.4 Å²	108.4	71%	0.706	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-11.3	174.7	55.4	0	0	0	0	113.2	L18	L18-S20 PolarHBondContact O-N 2.88Å; L18-S20 VanDerWaalsContact O-N 3.12Å
21	H	75.7	Confident	72.5	Confident	96 Å²	96	108.4 Å²	108.4	44%	0.444	56%	0.563	S	S	.	*	S	Bend	trans	-80.1	122.4	-179.7	-66.9	-162.9	0	0	0	110.2	H12 L18 H19 L23	H12-H21 AromaticContact CE1-CE1 3.88Å; H12-H21 AromaticContact CE1-ND1 3.2Å; H12-H21 PolarHBondContact CE1-ND1 3.19Å; H12-H21 AromaticContact ND1-CG 3.85Å; H12-H21 AromaticContact ND1-ND1 3.29Å; H12-H21 PolarHBondContact ND1-ND1 2.92Å; L18-H21 WeakPolarHBondContact O-CB 3.49Å; L18-H21 PolarHBondContact O-N 3.34Å; H19-H21 PolarHBondContact O-N 3.38Å; H21-L23 PolarHBondContact O-N 3.01Å
22	Q	76.3	Confident	71.4	Confident	184 Å²	184	108.2 Å²	108.2	86%	0.86	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-75.5	116.7	178.6	-167.3	171.7	8.4	0	0	110.3
23	L	75	Confident	70.9	Confident	78 Å²	78	116.2 Å²	116.2	41%	0.408	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-93	133.5	177.3	-59.9	176.2	0	0	0	110	L9 H12 Q13 H21	L9-L23 HydrophobicContact CD1-CD1 3.89Å; L9-L23 HydrophobicContact CD1-CD2 3.62Å; L9-L23 HydrophobicContact CD1-CG 4.3Å; L9-L23 HydrophobicContact CD2-CD1 4.46Å; L9-L23 HydrophobicContact CG-CD1 4.17Å; H12-L23 HydrophobicContact CB-CD1 4.45Å; H12-L23 HydrophobicContact CB-CD2 4.35Å; Q13-L23 HydrophobicContact CG-CD1 4.25Å; H21-L23 PolarHBondContact O-N 3.01Å
24	T	74.2	Confident	70.9	Confident	102 Å²	102	114.5 Å²	114.5	63%	0.626	58%	0.584	S	S	*	*			trans	-129.5	158.7	173.3	48.4	0	0	0	0	109.1
25	E	72.2	Confident	70.9	Confident	183 Å²	183	107.9 Å²	107.9	86%	0.855	55%	0.553	S	S	*	*			trans	-56.3	139.2	176.9	-74.7	-156.1	162.3	0	0	111.5	A27	E25-A27 PolarHBondContact O-N 3.39Å; E25-A27 VanDerWaalsContact O-N 3.13Å
26	P	63.2	Low	70.9	Confident	91 Å²	91	110 Å²	110	59%	0.591	57%	0.571	S	S	*	*			trans	-66	113.8	-179.6	24.6	-30.9	0	0	0	110.1	N3	N3-P26 HydrophobicContact CB-CB 4.49Å; N3-P26 WeakPolarHBondContact OD1-CB 3.15Å
27	A	61.4	Low	71.1	Confident	31 Å²	31	108.5 Å²	108.5	26%	0.256	57%	0.565	S	S	.	*			trans	-74.6	142.6	172.4	0	0	0	0	0	109.4	N3 E25 D31 L32	N3-A27 PolarHBondContact ND2-O 2.92Å; E25-A27 PolarHBondContact O-N 3.39Å; E25-A27 VanDerWaalsContact O-N 3.13Å; A27-D31 HydrophobicContact CB-CB 4.07Å; A27-L32 HydrophobicContact CB-CG 4.32Å
28	K	58.5	Low	71.2	Confident	156 Å²	156	103.3 Å²	103.3	68%	0.678	54%	0.543	S	S	*	.			trans	-64	149.2	173.8	-65.2	178.2	179.2	176.5	0	108.1	Q30 D31	K28-Q30 PolarHBondContact O-N 2.7Å; K28-D31 WeakPolarHBondContact CB-OD2 3.44Å; K28-D31 PolarHBondContact N-OD2 3.36Å; K28-D31 WeakPolarHBondContact O-CB 3.41Å; K28-D31 PolarHBondContact O-N 3.17Å
29	D	54.5	Low	71.3	Confident	137 Å²	137	107.9 Å²	107.9	73%	0.733	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.6	-22.7	-179.2	-74.5	-27.9	0	0	0	113.3	D31	D29-D31 VanDerWaalsContact C-N 3.3Å; D29-D31 PolarHBondContact O-N 2.92Å
30	Q	53	Low	71.6	Confident	158 Å²	158	103.6 Å²	103.6	74%	0.738	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-21	173.3	-74.4	-180	-15.8	0	0	114.6	K28	K28-Q30 PolarHBondContact O-N 2.7Å
31	D	55.3	Low	71.9	Confident	108 Å²	108	102.8 Å²	102.8	58%	0.578	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-21.8	-175.6	-59	-35.8	0	0	0	112.1	A27 K28 D29 R33	A27-D31 HydrophobicContact CB-CB 4.07Å; K28-D31 WeakPolarHBondContact CB-OD2 3.44Å; K28-D31 PolarHBondContact N-OD2 3.36Å; K28-D31 WeakPolarHBondContact O-CB 3.41Å; K28-D31 PolarHBondContact O-N 3.17Å; D29-D31 VanDerWaalsContact C-N 3.3Å; D29-D31 PolarHBondContact O-N 2.92Å; D31-R33 VanDerWaalsContact C-N 3.3Å; D31-R33 PolarHBondContact O-N 3.28Å
32	L	58.8	Low	72.4	Confident	58 Å²	58	100.1 Å²	100.1	30%	0.304	53%	0.528	S	S	.	.			trans	-84.1	72.5	175.2	-78.1	162.4	0	0	0	110.6	M1 A27 T34	M1-L32 HydrophobicContact CB-CD1 4.32Å; M1-L32 HydrophobicContact CE-CD2 3.74Å; M1-L32 HydrophobicContact SD-CD1 4.3Å; M1-L32 HydrophobicContact SD-CD2 3.72Å; A27-L32 HydrophobicContact CB-CG 4.32Å; L32-T34 PolarHBondContact O-N 3.16Å; L32-T34 VanDerWaalsContact O-N 3.16Å
33	R	70.8	Confident	73	Confident	190 Å²	190	94.8 Å²	94.8	72%	0.717	51%	0.508	S	S	*	.			trans	-71	107	173.4	-64.7	-77	178.8	150.9	1.6	109.3	D31 L42	D31-R33 VanDerWaalsContact C-N 3.3Å; D31-R33 PolarHBondContact O-N 3.28Å; R33-L42 HydrophobicContact CB-CD1 3.87Å; R33-L42 WeakPolarHBondContact O-CG 3.41Å
34	T	80.8	Confident	73.6	Confident	71 Å²	71	92.1 Å²	92.1	44%	0.436	50%	0.496	S	S	.	.	B	Isolated β-bridge	trans	-96.5	156.8	171.7	50.1	0	0	0	0	110.9	L32	L32-T34 PolarHBondContact O-N 3.16Å; L32-T34 VanDerWaalsContact O-N 3.16Å
35	C	83.8	Confident	74.5	Confident	4 Å²	4	88.5 Å²	88.5	3%	0.027	47%	0.472	C	S	.	.			trans	-61.4	128.9	173.5	178.4	0	0	0	0	109.9	A37 H38 H39 S40 L42 C54	C35-A37 PolarHBondContact O-N 3.45Å; C35-A37 PolarHBondContact SG-N 3.44Å; C35-H38 HydrophobicContact CB-CB 4.21Å; C35-H38 PolarHBondContact SG-N 2.7Å; C35-H38 VanDerWaalsContact SG-N 3.42Å; C35-H38 PolarHBondContact SG-ND1 3.32Å; C35-H38 VanDerWaalsContact SG-ND1 3.42Å; C35-H39 WeakPolarHBondContact O-CA 3.25Å; C35-H39 PolarHBondContact O-N 3.29Å; C35-S40 WeakPolarHBondContact CB-O 3.47Å; C35-S40 PolarHBondContact N-O 3.16Å; C35-L42 HydrophobicContact CB-CD2 3.93Å; C35-C54 HydrophobicContact CB-CB 3.81Å; C35-C54 VanDerWaalsContact SG-SG 3.69Å
36	P	81.9	Confident	75.3	Confident	117 Å²	117	79.8 Å²	79.8	76%	0.76	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-32.9	177.8	-21.1	31.3	0	0	0	113.3
37	A	83.5	Confident	76.3	Confident	71 Å²	71	78.6 Å²	78.6	59%	0.587	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-42.8	-177.1	0	0	0	0	0	112.8	C35	C35-A37 PolarHBondContact O-N 3.45Å; C35-A37 PolarHBondContact SG-N 3.44Å
38	H	82.9	Confident	77.5	Confident	65 Å²	65	81.2 Å²	81.2	30%	0.301	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-9.3	-170.7	-57	106	0	0	0	113.4	C35 S40 C54 E56 C57	C35-H38 HydrophobicContact CB-CB 4.21Å; C35-H38 PolarHBondContact SG-N 2.7Å; C35-H38 VanDerWaalsContact SG-N 3.42Å; C35-H38 PolarHBondContact SG-ND1 3.32Å; C35-H38 VanDerWaalsContact SG-ND1 3.42Å; H38-S40 PolarHBondContact O-N 3Å; H38-S40 PolarHBondContact O-OG 3.1Å; H38-C54 PolarHBondContact ND1-SG 3.08Å; H38-C54 VanDerWaalsContact ND1-SG 3.45Å; H38-E56 HydrophobicContact CB-CB 4.4Å; H38-E56 IonicContact CD2-OE2 3.44Å; H38-E56 PolarHBondContact CD2-OE2 3.08Å; H38-E56 IonicContact CG-OE2 3.97Å; H38-C57 PolarHBondContact CE1-SG 3.4Å; H38-C57 PolarHBondContact ND1-SG 2.81Å
39	H	80.9	Confident	78.7	Confident	141 Å²	141	78.3 Å²	78.3	65%	0.653	42%	0.419	S	S	*	.			trans	54.4	5.2	-172.9	-57.5	-61.2	0	0	0	115.5	C35	C35-H39 WeakPolarHBondContact O-CA 3.25Å; C35-H39 PolarHBondContact O-N 3.29Å
40	S	82.8	Confident	80.2	Confident	33 Å²	33	78.9 Å²	78.9	23%	0.231	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-77.1	150.3	173.8	-68	0	0	0	0	111.3	C35 H38 E56	C35-S40 WeakPolarHBondContact CB-O 3.47Å; C35-S40 PolarHBondContact N-O 3.16Å; H38-S40 PolarHBondContact O-N 3Å; H38-S40 PolarHBondContact O-OG 3.1Å; S40-E56 PolarHBondContact OG-OE1 3.25Å
41	P	84	Confident	81.9	Confident	85 Å²	85	75.6 Å²	75.6	55%	0.552	40%	0.402	S	S	*	.	B	Isolated β-bridge	trans	-61	143.9	176.9	24.8	-32.8	0	0	0	111.4	C54	P41-C54 VanDerWaalsContact O-CB 3.27Å; P41-C54 WeakPolarHBondContact O-CB 3.39Å
42	L	87	Confident	83.5	Confident	39 Å²	39	73.3 Å²	73.3	20%	0.204	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	129.2	174.4	-57.3	174.7	0	0	0	109	R33 C35 C52 I53 C54 L70	R33-L42 HydrophobicContact CB-CD1 3.87Å; R33-L42 WeakPolarHBondContact O-CG 3.41Å; C35-L42 HydrophobicContact CB-CD2 3.93Å; L42-C52 HydrophobicContact CB-CB 4.13Å; L42-C52 HydrophobicContact CD1-CB 3.8Å; L42-C52 WeakPolarHBondContact CD2-O 3.49Å; L42-C52 HydrophobicContact CG-CB 4.43Å; L42-I53 WeakPolarHBondContact CA-O 3.4Å; L42-C54 HydrophobicContact CD2-CB 4.43Å; L42-L70 WeakPolarHBondContact O-CD1 3.45Å
43	V	88	Confident	85	Confident	73 Å²	73	70.7 Å²	70.7	44%	0.442	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	-17.9	-170.4	-66	0	0	0	0	113.8	I53 Q55	V43-I53 PolarHBondContact N-O 3.46Å; V43-Q55 HydrophobicContact CG2-CB 4.17Å
44	S	88.8	Confident	85.9	Confident	21 Å²	21	61.7 Å²	61.7	15%	0.147	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	163.7	179.9	54.6	0	0	0	0	111.6	C52 I53 V68	S44-C52 CarbonylContact O-C 3.51Å; S44-C52 WeakPolarHBondContact O-CA 3.33Å; S44-I53 PolarHBondContact N-O 2.93Å; S44-I53 PolarHBondContact O-N 3.25Å; S44-I53 WeakPolarHBondContact OG-CG1 3.5Å; S44-V68 CarbonylContact C-O 3.52Å; S44-V68 WeakPolarHBondContact CA-O 3.46Å; S44-V68 WeakPolarHBondContact CB-O 3.37Å
45	F	91.5	Very high	86.2	Confident	27 Å²	27	64.3 Å²	64.3	12%	0.118	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.9	177.7	-175	-96.7	0	0	0	109.7	H47 Q50 T67 V68 L70 A73	F45-H47 AromaticContact CE1-ND1 3.82Å; F45-Q50 HydrophobicContact CZ-CB 4.29Å; F45-T67 VanDerWaalsContact O-CA 3.32Å; F45-T67 WeakPolarHBondContact O-CA 3.3Å; F45-V68 HydrophobicContact CB-CG2 4.25Å; F45-V68 PolarHBondContact N-O 3.36Å; F45-V68 PolarHBondContact O-N 3.47Å; F45-L70 HydrophobicContact CB-CD2 4.25Å; F45-A73 HydrophobicContact CB-CB 3.52Å; F45-A73 HydrophobicContact CD1-CB 3.82Å; F45-A73 HydrophobicContact CD2-CB 4.44Å; F45-A73 HydrophobicContact CG-CB 3.68Å
46	C	89.7	Confident	86.3	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	116.6	174.4	177.6	0	0	0	0	110	H49 Q50 Q51 I53 D65 T67	C46-H49 HydrophobicContact CB-CB 4.46Å; C46-H49 PolarHBondContact SG-ND1 2.85Å; C46-Q50 WeakPolarHBondContact O-CA 3.46Å; C46-Q50 PolarHBondContact O-N 3.32Å; C46-Q51 PolarHBondContact N-O 3.11Å; C46-Q51 PolarHBondContact O-N 2.94Å; C46-I53 HydrophobicContact CB-CD1 4.22Å; C46-I53 HydrophobicContact CB-CG2 4.26Å; C46-D65 WeakPolarHBondContact SG-CB 3.37Å; C46-D65 VanDerWaalsContact SG-CG 3.59Å; C46-D65 PolarHBondContact SG-OD2 2.94Å; C46-T67 HydrophobicContact CB-CG2 4.27Å
47	H	85.3	Confident	86.5	Confident	65 Å²	65	63.4 Å²	63.4	30%	0.301	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-35.5	178.7	-80.8	-64.4	0	0	0	113.1	F45 H49 S66 V68	F45-H47 AromaticContact CE1-ND1 3.82Å; H47-H49 VanDerWaalsContact C-N 3.33Å; H47-H49 PolarHBondContact O-N 3.38Å; H47-S66 PolarHBondContact N-O 3.43Å; H47-V68 WeakPolarHBondContact NE2-CG2 3.35Å
48	T	85.1	Confident	86.7	Confident	87 Å²	87	61 Å²	61	53%	0.534	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-43.8	179.9	-44.5	0	0	0	0	111.3	D65	T48-D65 WeakPolarHBondContact CB-OD1 3.38Å; T48-D65 PolarHBondContact OG1-OD1 2.95Å
49	H	84.8	Confident	86.8	Confident	95 Å²	95	63 Å²	63	44%	0.44	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-0.8	-173.6	-62.4	95.8	0	0	0	113.5	C46 H47 Q51 H62 D65	C46-H49 HydrophobicContact CB-CB 4.46Å; C46-H49 PolarHBondContact SG-ND1 2.85Å; H47-H49 VanDerWaalsContact C-N 3.33Å; H47-H49 PolarHBondContact O-N 3.38Å; H49-Q51 HydrophobicContact CB-CG 3.84Å; H49-Q51 PolarHBondContact O-N 2.99Å; H49-Q51 VanDerWaalsContact O-N 3.17Å; H49-H62 AromaticContact CE1-CE1 3.73Å; H49-H62 AromaticContact CE1-ND1 3.52Å; H49-H62 AromaticContact CG-CE1 3.5Å; H49-H62 AromaticContact CG-ND1 3.82Å; H49-H62 AromaticContact ND1-CE1 3.25Å; H49-H62 PolarHBondContact ND1-CE1 3.36Å; H49-H62 AromaticContact ND1-ND1 3.07Å; H49-H62 PolarHBondContact ND1-ND1 3.49Å; H49-D65 IonicContact CE1-OD1 2.96Å; H49-D65 IonicContact CE1-OD2 2.95Å; H49-D65 PolarHBondContact CE1-OD2 3.39Å; H49-D65 IonicContact ND1-OD2 3.1Å; H49-D65 PolarHBondContact ND1-OD2 3.2Å
50	Q	86.5	Confident	87	Confident	148 Å²	148	58.4 Å²	58.4	69%	0.692	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	38.5	-176.8	-58	-162.6	8.9	0	0	114.7	F45 C46	F45-Q50 HydrophobicContact CZ-CB 4.29Å; C46-Q50 WeakPolarHBondContact O-CA 3.46Å; C46-Q50 PolarHBondContact O-N 3.32Å
51	Q	87.4	Confident	87	Confident	89 Å²	89	64.5 Å²	64.5	42%	0.416	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	150	-176.6	66.3	-175.5	4.4	0	0	112.5	C46 H49 I53 H62	C46-Q51 PolarHBondContact N-O 3.11Å; C46-Q51 PolarHBondContact O-N 2.94Å; H49-Q51 HydrophobicContact CB-CG 3.84Å; H49-Q51 PolarHBondContact O-N 2.99Å; H49-Q51 VanDerWaalsContact O-N 3.17Å; Q51-I53 HydrophobicContact CG-CG2 3.93Å; Q51-H62 PolarHBondContact NE2-CE1 3.26Å; Q51-H62 PolarHBondContact NE2-NE2 3.48Å
52	C	89.1	Confident	87	Confident	61 Å²	61	60.9 Å²	60.9	41%	0.412	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	134	170.3	-61.5	0	0	0	0	109.4	L42 S44 L70	L42-C52 HydrophobicContact CB-CB 4.13Å; L42-C52 HydrophobicContact CD1-CB 3.8Å; L42-C52 WeakPolarHBondContact CD2-O 3.49Å; L42-C52 HydrophobicContact CG-CB 4.43Å; S44-C52 CarbonylContact O-C 3.51Å; S44-C52 WeakPolarHBondContact O-CA 3.33Å; C52-L70 HydrophobicContact CB-CD2 4.18Å
53	I	89.8	Confident	86.7	Confident	3 Å²	3	68 Å²	68	2%	0.015	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	152.2	-174.9	66.2	173.5	0	0	0	111.1	L42 V43 S44 C46 Q51 C57 H62 T67	L42-I53 WeakPolarHBondContact CA-O 3.4Å; V43-I53 PolarHBondContact N-O 3.46Å; S44-I53 PolarHBondContact N-O 2.93Å; S44-I53 PolarHBondContact O-N 3.25Å; S44-I53 WeakPolarHBondContact OG-CG1 3.5Å; C46-I53 HydrophobicContact CB-CD1 4.22Å; C46-I53 HydrophobicContact CB-CG2 4.26Å; Q51-I53 HydrophobicContact CG-CG2 3.93Å; I53-C57 HydrophobicContact CB-CB 3.83Å; I53-C57 HydrophobicContact CG2-CB 4.43Å; I53-H62 HydrophobicContact CD1-CB 3.85Å; I53-T67 HydrophobicContact CD1-CG2 3.77Å
54	C	89.9	Confident	86.3	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	172.3	169.2	68.8	0	0	0	0	110.9	C35 H38 P41 L42 E56 C57 G58	C35-C54 HydrophobicContact CB-CB 3.81Å; C35-C54 VanDerWaalsContact SG-SG 3.69Å; H38-C54 PolarHBondContact ND1-SG 3.08Å; H38-C54 VanDerWaalsContact ND1-SG 3.45Å; P41-C54 VanDerWaalsContact O-CB 3.27Å; P41-C54 WeakPolarHBondContact O-CB 3.39Å; L42-C54 HydrophobicContact CD2-CB 4.43Å; C54-E56 VanDerWaalsContact C-N 3.34Å; C54-E56 PolarHBondContact O-N 2.85Å; C54-C57 WeakPolarHBondContact O-CB 3.35Å; C54-C57 PolarHBondContact O-N 2.97Å; C54-C57 PolarHBondContact SG-N 3.49Å; C54-C57 VanDerWaalsContact SG-SG 3.67Å; C54-G58 PolarHBondContact O-N 3.45Å; C54-G58 VanDerWaalsContact O-N 3.07Å
55	Q	87.2	Confident	86.2	Confident	126 Å²	126	69.1 Å²	69.1	59%	0.589	37%	0.368	S	S	*	.	H	α-helix	trans	-59.9	-42.5	-179	-172.6	172.3	-9.5	0	0	112.6	V43 C57 G58 E59	V43-Q55 HydrophobicContact CG2-CB 4.17Å; Q55-C57 PolarHBondContact O-N 3.13Å; Q55-G58 PolarHBondContact O-N 3.35Å; Q55-G58 VanDerWaalsContact O-N 3.14Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.46Å; Q55-E59 PolarHBondContact NE2-OE1 3.48Å; Q55-E59 VanDerWaalsContact NE2-OE1 3.08Å; Q55-E59 WeakPolarHBondContact O-CG 3.41Å; Q55-E59 PolarHBondContact O-N 3.3Å
56	E	86.1	Confident	85.9	Confident	93 Å²	93	71.4 Å²	71.4	44%	0.435	39%	0.387	S	S	.	.	H	α-helix	trans	-62.9	-43.3	178.3	-67.5	164.5	-119.6	0	0	112.1	H38 S40 C54 G58 E59 G60	H38-E56 HydrophobicContact CB-CB 4.4Å; H38-E56 IonicContact CD2-OE2 3.44Å; H38-E56 PolarHBondContact CD2-OE2 3.08Å; H38-E56 IonicContact CG-OE2 3.97Å; S40-E56 PolarHBondContact OG-OE1 3.25Å; C54-E56 VanDerWaalsContact C-N 3.34Å; C54-E56 PolarHBondContact O-N 2.85Å; E56-G58 VanDerWaalsContact C-N 3.3Å; E56-G58 PolarHBondContact O-N 3Å; E56-E59 PolarHBondContact O-N 3.37Å; E56-G60 PolarHBondContact O-N 2.83Å
57	C	87	Confident	85.8	Confident	9 Å²	9	74.5 Å²	74.5	6%	0.061	41%	0.406	C	S	.	.	H	α-helix	trans	-58.3	-41.7	172.6	-81.6	0	0	0	0	112	H38 I53 C54 Q55 E59 G60 E61 H62	H38-C57 PolarHBondContact CE1-SG 3.4Å; H38-C57 PolarHBondContact ND1-SG 2.81Å; I53-C57 HydrophobicContact CB-CB 3.83Å; I53-C57 HydrophobicContact CG2-CB 4.43Å; C54-C57 WeakPolarHBondContact O-CB 3.35Å; C54-C57 PolarHBondContact O-N 2.97Å; C54-C57 PolarHBondContact SG-N 3.49Å; C54-C57 VanDerWaalsContact SG-SG 3.67Å; Q55-C57 PolarHBondContact O-N 3.13Å; C57-E59 VanDerWaalsContact C-N 3.34Å; C57-G60 PolarHBondContact O-N 3.28Å; C57-E61 PolarHBondContact O-N 3.35Å; C57-H62 WeakPolarHBondContact O-CB 3.29Å; C57-H62 PolarHBondContact O-N 3.03Å
58	G	86.3	Confident	86	Confident	21 Å²	21	73.3 Å²	73.3	22%	0.216	40%	0.404	C	S	.	.	H	α-helix	trans	-65.6	-35	178.1	0	0	0	0	0	113.6	C54 Q55 E56 H62 R63	C54-G58 PolarHBondContact O-N 3.45Å; C54-G58 VanDerWaalsContact O-N 3.07Å; Q55-G58 PolarHBondContact O-N 3.35Å; Q55-G58 VanDerWaalsContact O-N 3.14Å; E56-G58 VanDerWaalsContact C-N 3.3Å; E56-G58 PolarHBondContact O-N 3Å; G58-H62 CarbonylContact O-C 3.57Å; G58-R63 WeakPolarHBondContact O-CA 3.36Å; G58-R63 PolarHBondContact O-N 3.04Å
59	E	85.4	Confident	86.3	Confident	106 Å²	106	72.1 Å²	72.1	50%	0.495	40%	0.399	S	S	.	.	H	α-helix	trans	-83.9	-18.3	178.8	-68.7	176.6	-164.3	0	0	113.3	Q55 E56 C57 R63	Q55-E59 WeakPolarHBondContact CG-OE1 3.46Å; Q55-E59 PolarHBondContact NE2-OE1 3.48Å; Q55-E59 VanDerWaalsContact NE2-OE1 3.08Å; Q55-E59 WeakPolarHBondContact O-CG 3.41Å; Q55-E59 PolarHBondContact O-N 3.3Å; E56-E59 PolarHBondContact O-N 3.37Å; C57-E59 VanDerWaalsContact C-N 3.34Å; E59-R63 PolarHBondContact O-NE 3.47Å; E59-R63 PolarHBondContact O-NH2 2.96Å
60	G	86	Confident	86.5	Confident	46 Å²	46	70.4 Å²	70.4	47%	0.474	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-104	179.9	0	0	0	0	0	113	E56 C57 H62 R63	E56-G60 PolarHBondContact O-N 2.83Å; C57-G60 PolarHBondContact O-N 3.28Å; G60-H62 PolarHBondContact O-N 2.98Å; G60-R63 WeakPolarHBondContact O-CB 2.83Å; G60-R63 PolarHBondContact O-N 3.38Å
61	E	82.3	Confident	86.5	Confident	161 Å²	161	68.9 Å²	68.9	75%	0.752	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-29.3	-171.6	-66	-177	157.5	0	0	114	C57	C57-E61 PolarHBondContact O-N 3.35Å
62	H	83	Confident	86.6	Confident	9 Å²	9	65.7 Å²	65.7	4%	0.042	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	15.5	178.3	-63.8	-67.5	0	0	0	113.3	H49 Q51 I53 C57 G58 G60 G64 D65	H49-H62 AromaticContact CE1-CE1 3.73Å; H49-H62 AromaticContact CE1-ND1 3.52Å; H49-H62 AromaticContact CG-CE1 3.5Å; H49-H62 AromaticContact CG-ND1 3.82Å; H49-H62 AromaticContact ND1-CE1 3.25Å; H49-H62 PolarHBondContact ND1-CE1 3.36Å; H49-H62 AromaticContact ND1-ND1 3.07Å; H49-H62 PolarHBondContact ND1-ND1 3.49Å; Q51-H62 PolarHBondContact NE2-CE1 3.26Å; Q51-H62 PolarHBondContact NE2-NE2 3.48Å; I53-H62 HydrophobicContact CD1-CB 3.85Å; C57-H62 WeakPolarHBondContact O-CB 3.29Å; C57-H62 PolarHBondContact O-N 3.03Å; G58-H62 CarbonylContact O-C 3.57Å; G60-H62 PolarHBondContact O-N 2.98Å; H62-G64 PolarHBondContact O-N 3.03Å; H62-D65 WeakPolarHBondContact CA-OD2 3.41Å; H62-D65 HydrophobicContact CB-CB 4.34Å; H62-D65 IonicContact CE1-OD2 2.79Å; H62-D65 IonicContact CG-OD2 2.95Å; H62-D65 IonicContact ND1-OD2 3.63Å; H62-D65 PolarHBondContact ND1-OD2 3.16Å; H62-D65 WeakPolarHBondContact O-CB 3.36Å; H62-D65 PolarHBondContact O-N 2.89Å
63	R	81.8	Confident	86.7	Confident	188 Å²	188	63.1 Å²	63.1	71%	0.709	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	110.3	178.6	-178.2	-178.2	-83.2	-111.3	-1.9	110	G58 E59 G60	G58-R63 WeakPolarHBondContact O-CA 3.36Å; G58-R63 PolarHBondContact O-N 3.04Å; E59-R63 PolarHBondContact O-NE 3.47Å; E59-R63 PolarHBondContact O-NH2 2.96Å; G60-R63 WeakPolarHBondContact O-CB 2.83Å; G60-R63 PolarHBondContact O-N 3.38Å
64	G	80.3	Confident	86.8	Confident	81 Å²	81	70.8 Å²	70.8	84%	0.835	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.6	-9.7	-178	0	0	0	0	0	113.9	H62	H62-G64 PolarHBondContact O-N 3.03Å
65	D	85.1	Confident	86.9	Confident	37 Å²	37	78.3 Å²	78.3	20%	0.198	42%	0.418	C	S	.	.	S	Bend	trans	-70.9	151.5	170	-76	-34.4	0	0	0	111.8	C46 T48 H49 H62 T67	C46-D65 WeakPolarHBondContact SG-CB 3.37Å; C46-D65 VanDerWaalsContact SG-CG 3.59Å; C46-D65 PolarHBondContact SG-OD2 2.94Å; T48-D65 WeakPolarHBondContact CB-OD1 3.38Å; T48-D65 PolarHBondContact OG1-OD1 2.95Å; H49-D65 IonicContact CE1-OD1 2.96Å; H49-D65 IonicContact CE1-OD2 2.95Å; H49-D65 PolarHBondContact CE1-OD2 3.39Å; H49-D65 IonicContact ND1-OD2 3.1Å; H49-D65 PolarHBondContact ND1-OD2 3.2Å; H62-D65 WeakPolarHBondContact CA-OD2 3.41Å; H62-D65 HydrophobicContact CB-CB 4.34Å; H62-D65 IonicContact CE1-OD2 2.79Å; H62-D65 IonicContact CG-OD2 2.95Å; H62-D65 IonicContact ND1-OD2 3.63Å; H62-D65 PolarHBondContact ND1-OD2 3.16Å; H62-D65 WeakPolarHBondContact O-CB 3.36Å; H62-D65 PolarHBondContact O-N 2.89Å; D65-T67 HydrophobicContact CB-CG2 4.42Å; D65-T67 PolarHBondContact O-N 3.46Å
66	S	85.6	Confident	86.9	Confident	74 Å²	74	76.3 Å²	76.3	52%	0.517	41%	0.412	S	S	.	.			trans	-69.6	102.2	170.5	-174.9	0	0	0	0	109.7	H47	H47-S66 PolarHBondContact N-O 3.43Å
67	T	88	Confident	87.1	Confident	65 Å²	65	76.6 Å²	76.6	40%	0.399	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.7	178.7	53.9	0	0	0	0	110.8	F45 C46 I53 D65	F45-T67 VanDerWaalsContact O-CA 3.32Å; F45-T67 WeakPolarHBondContact O-CA 3.3Å; C46-T67 HydrophobicContact CB-CG2 4.27Å; I53-T67 HydrophobicContact CD1-CG2 3.77Å; D65-T67 HydrophobicContact CB-CG2 4.42Å; D65-T67 PolarHBondContact O-N 3.46Å
68	V	89.3	Confident	87.4	Confident	41 Å²	41	79.3 Å²	79.3	25%	0.248	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	164.1	177.9	-63	0	0	0	0	110.3	S44 F45 H47 A72 A73	S44-V68 CarbonylContact C-O 3.52Å; S44-V68 WeakPolarHBondContact CA-O 3.46Å; S44-V68 WeakPolarHBondContact CB-O 3.37Å; F45-V68 HydrophobicContact CB-CG2 4.25Å; F45-V68 PolarHBondContact N-O 3.36Å; F45-V68 PolarHBondContact O-N 3.47Å; H47-V68 WeakPolarHBondContact NE2-CG2 3.35Å; V68-A72 HydrophobicContact CB-CB 4.35Å; V68-A73 HydrophobicContact CG2-CB 3.78Å
69	S	90.7	Very high	87.8	Confident	62 Å²	62	82 Å²	82	43%	0.434	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	151.2	172.4	70.1	0	0	0	0	111.1	D71 A72 A73	S69-D71 PolarHBondContact O-N 2.94Å; S69-A72 PolarHBondContact O-N 3.46Å; S69-A72 WeakPolarHBondContact OG-CB 3.37Å; S69-A72 PolarHBondContact OG-N 3.45Å; S69-A73 PolarHBondContact O-N 3.05Å
70	L	89.4	Confident	88	Confident	58 Å²	58	80.4 Å²	80.4	30%	0.304	43%	0.43	S	S	.	.	H	α-helix	trans	-56.4	-39.5	178.4	-64.5	177.9	0	0	0	112.1	L42 F45 C52 A72 A73 R74	L42-L70 WeakPolarHBondContact O-CD1 3.45Å; F45-L70 HydrophobicContact CB-CD2 4.25Å; C52-L70 HydrophobicContact CB-CD2 4.18Å; L70-A72 VanDerWaalsContact C-N 3.35Å; L70-A72 PolarHBondContact O-N 2.84Å; L70-A73 PolarHBondContact O-N 2.74Å; L70-R74 VanDerWaalsContact O-CB 3.27Å; L70-R74 WeakPolarHBondContact O-CB 3.49Å; L70-R74 PolarHBondContact O-N 3.31Å
71	D	87.5	Confident	88.4	Confident	116 Å²	116	82.4 Å²	82.4	62%	0.62	43%	0.43	S	S	*	.	H	α-helix	trans	-66.7	-34.3	177.5	-65.5	-33.3	0	0	0	113	S69 R75	S69-D71 PolarHBondContact O-N 2.94Å; D71-R75 WeakPolarHBondContact O-CG 3.41Å; D71-R75 PolarHBondContact O-N 2.89Å; D71-R75 VanDerWaalsContact O-N 3.14Å; D71-R75 PolarHBondContact O-NE 3.47Å
72	A	89.5	Confident	88.9	Confident	23 Å²	23	81.9 Å²	81.9	19%	0.19	42%	0.421	C	S	.	.	H	α-helix	trans	-71.3	-45.9	174.6	0	0	0	0	0	111.1	V68 S69 L70 R74 R75 N76	V68-A72 HydrophobicContact CB-CB 4.35Å; S69-A72 PolarHBondContact O-N 3.46Å; S69-A72 WeakPolarHBondContact OG-CB 3.37Å; S69-A72 PolarHBondContact OG-N 3.45Å; L70-A72 VanDerWaalsContact C-N 3.35Å; L70-A72 PolarHBondContact O-N 2.84Å; A72-R74 VanDerWaalsContact C-N 3.34Å; A72-R74 PolarHBondContact O-N 3.33Å; A72-R75 PolarHBondContact O-N 3.29Å; A72-N76 PolarHBondContact O-N 3.33Å
73	A	89.8	Confident	89.4	Confident	6 Å²	6	85 Å²	85	5%	0.05	44%	0.443	C	S	.	.	H	α-helix	trans	-59.1	-45.1	175.4	0	0	0	0	0	111.9	F45 V68 S69 L70 N76 K77	F45-A73 HydrophobicContact CB-CB 3.52Å; F45-A73 HydrophobicContact CD1-CB 3.82Å; F45-A73 HydrophobicContact CD2-CB 4.44Å; F45-A73 HydrophobicContact CG-CB 3.68Å; V68-A73 HydrophobicContact CG2-CB 3.78Å; S69-A73 PolarHBondContact O-N 3.05Å; L70-A73 PolarHBondContact O-N 2.74Å; A73-N76 PolarHBondContact O-N 3.28Å; A73-K77 WeakPolarHBondContact O-CG 3.39Å; A73-K77 PolarHBondContact O-N 3.02Å
74	R	91.8	Very high	89.7	Confident	164 Å²	164	81.5 Å²	81.5	62%	0.619	44%	0.436	S	S	*	.	H	α-helix	trans	-58.9	-49.6	176.9	178.5	176.1	174.7	158.9	2.4	111.5	L70 A72 N76 K77 E78	L70-R74 VanDerWaalsContact O-CB 3.27Å; L70-R74 WeakPolarHBondContact O-CB 3.49Å; L70-R74 PolarHBondContact O-N 3.31Å; A72-R74 VanDerWaalsContact C-N 3.34Å; A72-R74 PolarHBondContact O-N 3.33Å; R74-N76 VanDerWaalsContact C-N 3.31Å; R74-N76 PolarHBondContact O-N 3.28Å; R74-K77 CarbonylContact O-C 3.43Å; R74-K77 PolarHBondContact O-N 2.97Å; R74-K77 VanDerWaalsContact O-N 3.15Å; R74-E78 HydrophobicContact CG-CG 4.26Å; R74-E78 IonicContact CZ-OE1 2.79Å; R74-E78 IonicContact NE-OE1 3.37Å; R74-E78 PolarHBondContact NE-OE1 3.43Å; R74-E78 IonicContact NH2-OE1 3.6Å; R74-E78 PolarHBondContact NH2-OE1 3.37Å; R74-E78 WeakPolarHBondContact O-CB 3.47Å; R74-E78 WeakPolarHBondContact O-CG 3.33Å; R74-E78 PolarHBondContact O-N 2.92Å
75	R	92.1	Very high	90.3	Very high	159 Å²	159	82.6 Å²	82.6	60%	0.6	42%	0.419	S	S	*	.	H	α-helix	trans	-58.5	-42.9	178.1	-78.5	-176.3	-69.7	163.8	-2.9	112	D71 A72 E78 V79	D71-R75 WeakPolarHBondContact O-CG 3.41Å; D71-R75 PolarHBondContact O-N 2.89Å; D71-R75 VanDerWaalsContact O-N 3.14Å; D71-R75 PolarHBondContact O-NE 3.47Å; A72-R75 PolarHBondContact O-N 3.29Å; R75-E78 PolarHBondContact O-N 3.32Å; R75-V79 WeakPolarHBondContact O-CG2 3.49Å; R75-V79 PolarHBondContact O-N 3Å; R75-V79 VanDerWaalsContact O-N 3.07Å
76	N	89	Confident	90.7	Very high	84 Å²	84	86 Å²	86	45%	0.449	44%	0.437	S	S	.	.	H	α-helix	trans	-61.8	-45	176	-70.2	-13.2	0	0	0	111.3	A72 A73 R74 V79 D80	A72-N76 PolarHBondContact O-N 3.33Å; A73-N76 PolarHBondContact O-N 3.28Å; R74-N76 VanDerWaalsContact C-N 3.31Å; R74-N76 PolarHBondContact O-N 3.28Å; N76-V79 PolarHBondContact O-N 3.04Å; N76-D80 PolarHBondContact O-N 2.97Å
77	K	90.3	Very high	90.8	Very high	98 Å²	98	85.7 Å²	85.7	43%	0.426	43%	0.43	S	S	.	.	H	α-helix	trans	-69.7	-30.3	178	-66.3	-55.9	175.8	-166.2	0	114.2	A73 R74 V79 D80 L81	A73-K77 WeakPolarHBondContact O-CG 3.39Å; A73-K77 PolarHBondContact O-N 3.02Å; R74-K77 CarbonylContact O-C 3.43Å; R74-K77 PolarHBondContact O-N 2.97Å; R74-K77 VanDerWaalsContact O-N 3.15Å; K77-V79 VanDerWaalsContact C-N 3.35Å; K77-D80 IonicContact NZ-OD2 2.79Å; K77-D80 PolarHBondContact NZ-OD2 3.35Å; K77-D80 PolarHBondContact O-N 2.91Å; K77-L81 WeakPolarHBondContact O-CB 3.45Å; K77-L81 PolarHBondContact O-N 3.12Å
78	E	92.9	Very high	90.8	Very high	66 Å²	66	87.5 Å²	87.5	31%	0.308	44%	0.436	S	S	.	.	H	α-helix	trans	-67.2	-36	171.1	-75.5	177	175.8	0	0	111.7	R74 R75 R82	R74-E78 HydrophobicContact CG-CG 4.26Å; R74-E78 IonicContact CZ-OE1 2.79Å; R74-E78 IonicContact NE-OE1 3.37Å; R74-E78 PolarHBondContact NE-OE1 3.43Å; R74-E78 IonicContact NH2-OE1 3.6Å; R74-E78 PolarHBondContact NH2-OE1 3.37Å; R74-E78 WeakPolarHBondContact O-CB 3.47Å; R74-E78 WeakPolarHBondContact O-CG 3.33Å; R74-E78 PolarHBondContact O-N 2.92Å; R75-E78 PolarHBondContact O-N 3.32Å; E78-R82 WeakPolarHBondContact O-CG 3.45Å; E78-R82 PolarHBondContact O-N 2.89Å
79	V	93.6	Very high	91	Very high	78 Å²	78	91.1 Å²	91.1	47%	0.473	45%	0.451	S	S	.	.	H	α-helix	trans	-67.1	-48.6	172.4	173.5	0	0	0	0	110.7	R75 N76 K77 L81 R82 C83	R75-V79 WeakPolarHBondContact O-CG2 3.49Å; R75-V79 PolarHBondContact O-N 3Å; R75-V79 VanDerWaalsContact O-N 3.07Å; N76-V79 PolarHBondContact O-N 3.04Å; K77-V79 VanDerWaalsContact C-N 3.35Å; V79-L81 PolarHBondContact O-N 3.21Å; V79-R82 PolarHBondContact O-N 3.34Å; V79-C83 PolarHBondContact O-N 3.03Å; V79-C83 PolarHBondContact O-SG 3.5Å; V79-C83 VanDerWaalsContact O-SG 3.35Å
80	D	90	Very high	90.9	Very high	72 Å²	72	94 Å²	94	39%	0.385	46%	0.457	S	S	.	.	H	α-helix	trans	-54.6	-44.1	175.1	-69.9	-13.9	0	0	0	110.8	N76 K77 C83 M84	N76-D80 PolarHBondContact O-N 2.97Å; K77-D80 IonicContact NZ-OD2 2.79Å; K77-D80 PolarHBondContact NZ-OD2 3.35Å; K77-D80 PolarHBondContact O-N 2.91Å; D80-C83 WeakPolarHBondContact O-CB 3.39Å; D80-C83 PolarHBondContact O-N 3Å; D80-M84 WeakPolarHBondContact O-CG 3.48Å; D80-M84 PolarHBondContact O-N 3.39Å
81	L	93.5	Very high	90.7	Very high	89 Å²	89	96.2 Å²	96.2	47%	0.466	46%	0.464	S	S	.	.	H	α-helix	trans	-65.2	-42.8	179.5	-171.8	142	0	0	0	112.5	K77 V79 C83 M84 Q85	K77-L81 WeakPolarHBondContact O-CB 3.45Å; K77-L81 PolarHBondContact O-N 3.12Å; V79-L81 PolarHBondContact O-N 3.21Å; L81-C83 VanDerWaalsContact C-N 3.34Å; L81-M84 PolarHBondContact O-N 3.47Å; L81-Q85 HydrophobicContact CD2-CG 4.28Å; L81-Q85 WeakPolarHBondContact O-CG 3.48Å; L81-Q85 PolarHBondContact O-N 3.41Å
82	R	94.5	Very high	90.9	Very high	149 Å²	149	95.7 Å²	95.7	56%	0.562	46%	0.461	S	S	*	.	H	α-helix	trans	-63.8	-40	173.8	-74.8	175	-174.7	153.4	5.9	111.9	E78 V79 Q85 L86	E78-R82 WeakPolarHBondContact O-CG 3.45Å; E78-R82 PolarHBondContact O-N 2.89Å; V79-R82 PolarHBondContact O-N 3.34Å; R82-Q85 PolarHBondContact O-N 3.42Å; R82-L86 WeakPolarHBondContact O-CG 3.5Å; R82-L86 PolarHBondContact O-N 3.43Å
83	C	92.3	Very high	91	Very high	75 Å²	75	101.1 Å²	101.1	51%	0.507	48%	0.48	S	S	.	.	H	α-helix	trans	-61.8	-44	174.7	-71.6	0	0	0	0	111.6	V79 D80 L81 L86 D87	V79-C83 PolarHBondContact O-N 3.03Å; V79-C83 PolarHBondContact O-SG 3.5Å; V79-C83 VanDerWaalsContact O-SG 3.35Å; D80-C83 WeakPolarHBondContact O-CB 3.39Å; D80-C83 PolarHBondContact O-N 3Å; L81-C83 VanDerWaalsContact C-N 3.34Å; C83-L86 PolarHBondContact O-N 3.27Å; C83-D87 WeakPolarHBondContact O-CB 3.38Å; C83-D87 PolarHBondContact O-N 3.13Å
84	M	89.4	Confident	90.9	Very high	115 Å²	115	105.7 Å²	105.7	57%	0.567	50%	0.503	S	S	*	.	H	α-helix	trans	-63.4	-41	174.7	-73.3	-171.7	-75.4	0	0	112.3	D80 L81 D87 L88	D80-M84 WeakPolarHBondContact O-CG 3.48Å; D80-M84 PolarHBondContact O-N 3.39Å; L81-M84 PolarHBondContact O-N 3.47Å; M84-D87 PolarHBondContact O-N 3.25Å; M84-L88 WeakPolarHBondContact O-CB 3.34Å; M84-L88 WeakPolarHBondContact O-CG 3.43Å; M84-L88 PolarHBondContact O-N 2.95Å
85	Q	91.1	Very high	90.6	Very high	103 Å²	103	102.6 Å²	102.6	48%	0.481	50%	0.499	S	S	.	.	H	α-helix	trans	-60.6	-47.6	175.1	-77.8	178.4	-21.4	0	0	111.7	L81 R82 D87 L88 E89	L81-Q85 HydrophobicContact CD2-CG 4.28Å; L81-Q85 WeakPolarHBondContact O-CG 3.48Å; L81-Q85 PolarHBondContact O-N 3.41Å; R82-Q85 PolarHBondContact O-N 3.42Å; Q85-D87 PolarHBondContact O-N 3.45Å; Q85-L88 PolarHBondContact O-N 3.28Å; Q85-E89 WeakPolarHBondContact O-CG 3.35Å; Q85-E89 PolarHBondContact O-N 3.33Å
86	L	93.7	Very high	90.6	Very high	109 Å²	109	101 Å²	101	57%	0.571	50%	0.498	S	S	*	.	H	α-helix	trans	-62.5	-40	177.9	-72.1	169.9	0	0	0	112.4	R82 C83 E89 Q90	R82-L86 WeakPolarHBondContact O-CG 3.5Å; R82-L86 PolarHBondContact O-N 3.43Å; C83-L86 PolarHBondContact O-N 3.27Å; L86-E89 PolarHBondContact O-N 3.26Å; L86-Q90 WeakPolarHBondContact O-CB 3.44Å; L86-Q90 PolarHBondContact O-N 3.32Å
87	D	88.1	Confident	90.5	Very high	68 Å²	68	100.8 Å²	100.8	36%	0.364	50%	0.497	S	S	.	.	H	α-helix	trans	-63.4	-42	174.5	175.6	65.7	0	0	0	111.7	C83 M84 Q85 Q90 K91	C83-D87 WeakPolarHBondContact O-CB 3.38Å; C83-D87 PolarHBondContact O-N 3.13Å; M84-D87 PolarHBondContact O-N 3.25Å; Q85-D87 PolarHBondContact O-N 3.45Å; D87-Q90 PolarHBondContact O-N 2.95Å; D87-K91 WeakPolarHBondContact O-CB 3.49Å; D87-K91 WeakPolarHBondContact O-CG 3.49Å; D87-K91 PolarHBondContact O-N 3.11Å; D87-K91 WeakPolarHBondContact OD1-CE 3.42Å; D87-K91 IonicContact OD1-NZ 3.68Å; D87-K91 WeakPolarHBondContact OD2-CE 3.49Å; D87-K91 IonicContact OD2-NZ 3.82Å; D87-K91 PolarHBondContact OD2-NZ 3.25Å
88	L	89.1	Confident	90.3	Very high	103 Å²	103	98.3 Å²	98.3	54%	0.539	50%	0.495	S	S	.	.	H	α-helix	trans	-64.8	-44.4	175.2	-73.3	173.9	0	0	0	112.1	M84 Q85 Q90 K91 L92	M84-L88 WeakPolarHBondContact O-CB 3.34Å; M84-L88 WeakPolarHBondContact O-CG 3.43Å; M84-L88 PolarHBondContact O-N 2.95Å; Q85-L88 PolarHBondContact O-N 3.28Å; L88-Q90 VanDerWaalsContact C-N 3.3Å; L88-Q90 PolarHBondContact O-N 2.99Å; L88-K91 PolarHBondContact O-N 3.45Å; L88-L92 WeakPolarHBondContact O-CB 3.19Å; L88-L92 WeakPolarHBondContact O-CG 3.39Å; L88-L92 PolarHBondContact O-N 3.32Å
89	E	92.7	Very high	90	Very high	117 Å²	117	99.4 Å²	99.4	55%	0.547	50%	0.502	S	S	.	.	H	α-helix	trans	-59.5	-42.2	175.2	-75.1	176.2	179.9	0	0	111.5	Q85 L86 L92 K93	Q85-E89 WeakPolarHBondContact O-CG 3.35Å; Q85-E89 PolarHBondContact O-N 3.33Å; L86-E89 PolarHBondContact O-N 3.26Å; E89-L92 PolarHBondContact O-N 3.25Å; E89-K93 WeakPolarHBondContact O-CB 3.49Å; E89-K93 PolarHBondContact O-N 3.03Å
90	Q	88.5	Confident	89.9	Confident	123 Å²	123	98.1 Å²	98.1	58%	0.575	50%	0.499	S	S	*	.	H	α-helix	trans	-63.1	-45.2	175.6	-175.7	177.1	-1.7	0	0	111.7	L86 D87 L88 K93 L94	L86-Q90 WeakPolarHBondContact O-CB 3.44Å; L86-Q90 PolarHBondContact O-N 3.32Å; D87-Q90 PolarHBondContact O-N 2.95Å; L88-Q90 VanDerWaalsContact C-N 3.3Å; L88-Q90 PolarHBondContact O-N 2.99Å; Q90-K93 PolarHBondContact O-N 3.12Å; Q90-L94 WeakPolarHBondContact O-CG 3.39Å; Q90-L94 PolarHBondContact O-N 3.02Å
91	K	86.1	Confident	89.7	Confident	103 Å²	103	103.8 Å²	103.8	45%	0.448	52%	0.515	S	S	.	.	H	α-helix	trans	-63.1	-42.6	176.7	-74.9	168.6	177.5	168.2	0	112.1	D87 L88 L94 N95	D87-K91 WeakPolarHBondContact O-CB 3.49Å; D87-K91 WeakPolarHBondContact O-CG 3.49Å; D87-K91 PolarHBondContact O-N 3.11Å; D87-K91 WeakPolarHBondContact OD1-CE 3.42Å; D87-K91 IonicContact OD1-NZ 3.68Å; D87-K91 WeakPolarHBondContact OD2-CE 3.49Å; D87-K91 IonicContact OD2-NZ 3.82Å; D87-K91 PolarHBondContact OD2-NZ 3.25Å; L88-K91 PolarHBondContact O-N 3.45Å; K91-L94 PolarHBondContact O-N 3.35Å; K91-N95 PolarHBondContact O-N 3.35Å
92	L	91	Very high	89.4	Confident	105 Å²	105	103.5 Å²	103.5	55%	0.55	51%	0.514	S	S	.	.	H	α-helix	trans	-59.3	-48.3	174.9	-76	171.5	0	0	0	110.9	L88 E89 L94 N95 E96	L88-L92 WeakPolarHBondContact O-CB 3.19Å; L88-L92 WeakPolarHBondContact O-CG 3.39Å; L88-L92 PolarHBondContact O-N 3.32Å; E89-L92 PolarHBondContact O-N 3.25Å; L92-L94 VanDerWaalsContact C-N 3.31Å; L92-L94 PolarHBondContact O-N 2.98Å; L92-N95 CarbonylContact O-C 3.57Å; L92-N95 WeakPolarHBondContact O-CB 3.48Å; L92-N95 PolarHBondContact O-N 3Å; L92-N95 VanDerWaalsContact O-N 3.08Å; L92-E96 WeakPolarHBondContact O-CG 3.46Å; L92-E96 PolarHBondContact O-N 3.42Å
93	K	91.7	Very high	89.1	Confident	137 Å²	137	102 Å²	102	60%	0.596	51%	0.513	S	S	*	.	H	α-helix	trans	-61.2	-37.5	177.1	-170	173.7	-173.5	173.7	0	112.8	E89 Q90 N97	E89-K93 WeakPolarHBondContact O-CB 3.49Å; E89-K93 PolarHBondContact O-N 3.03Å; Q90-K93 PolarHBondContact O-N 3.12Å; K93-N97 WeakPolarHBondContact O-CB 3.37Å; K93-N97 VanDerWaalsContact O-CG 3.28Å; K93-N97 PolarHBondContact O-N 3.14Å; K93-N97 PolarHBondContact O-ND2 3.39Å
94	L	86.6	Confident	88.9	Confident	103 Å²	103	101.3 Å²	101.3	54%	0.539	51%	0.512	S	S	.	.	H	α-helix	trans	-64.1	-42.7	173.6	-73	172.3	0	0	0	111.5	Q90 K91 L92 N97 A98	Q90-L94 WeakPolarHBondContact O-CG 3.39Å; Q90-L94 PolarHBondContact O-N 3.02Å; K91-L94 PolarHBondContact O-N 3.35Å; L92-L94 VanDerWaalsContact C-N 3.31Å; L92-L94 PolarHBondContact O-N 2.98Å; L94-N97 PolarHBondContact O-N 3.06Å; L94-A98 WeakPolarHBondContact O-CB 3.49Å; L94-A98 PolarHBondContact O-N 3.4Å
95	N	86.2	Confident	88.7	Confident	98 Å²	98	98.8 Å²	98.8	52%	0.524	50%	0.501	S	S	.	.	H	α-helix	trans	-64.4	-44	175.9	-70.9	-15.1	0	0	0	111.8	K91 L92 N97 A98 I99	K91-N95 PolarHBondContact O-N 3.35Å; L92-N95 CarbonylContact O-C 3.57Å; L92-N95 WeakPolarHBondContact O-CB 3.48Å; L92-N95 PolarHBondContact O-N 3Å; L92-N95 VanDerWaalsContact O-N 3.08Å; N95-N97 VanDerWaalsContact C-N 3.35Å; N95-N97 PolarHBondContact O-N 2.89Å; N95-A98 WeakPolarHBondContact O-CB 3.32Å; N95-A98 PolarHBondContact O-N 2.8Å; N95-A98 VanDerWaalsContact O-N 3.16Å; N95-I99 VanDerWaalsContact O-CG1 3.29Å; N95-I99 WeakPolarHBondContact O-CG1 3.45Å; N95-I99 PolarHBondContact O-N 3.42Å
96	E	92	Very high	88.4	Confident	125 Å²	125	99.4 Å²	99.4	58%	0.584	50%	0.504	S	S	*	.	H	α-helix	trans	-58.6	-44.9	175.4	-73.2	173.5	168.2	0	0	111.8	L92 A98 I99 A100	L92-E96 WeakPolarHBondContact O-CG 3.46Å; L92-E96 PolarHBondContact O-N 3.42Å; E96-A98 VanDerWaalsContact C-N 3.34Å; E96-A98 PolarHBondContact O-N 3.01Å; E96-I99 PolarHBondContact O-N 3.08Å; E96-A100 PolarHBondContact O-N 3.38Å
97	N	87.8	Confident	88.1	Confident	81 Å²	81	101.3 Å²	101.3	43%	0.433	51%	0.508	S	S	.	.	H	α-helix	trans	-63.7	-39.1	175.3	-74.1	-44.6	0	0	0	112.3	K93 L94 N95 A100 R101	K93-N97 WeakPolarHBondContact O-CB 3.37Å; K93-N97 VanDerWaalsContact O-CG 3.28Å; K93-N97 PolarHBondContact O-N 3.14Å; K93-N97 PolarHBondContact O-ND2 3.39Å; L94-N97 PolarHBondContact O-N 3.06Å; N95-N97 VanDerWaalsContact C-N 3.35Å; N95-N97 PolarHBondContact O-N 2.89Å; N97-A100 PolarHBondContact O-N 2.99Å; N97-R101 WeakPolarHBondContact O-CG 3.33Å; N97-R101 PolarHBondContact O-N 2.93Å
98	A	84.9	Confident	88.1	Confident	45 Å²	45	101.2 Å²	101.2	37%	0.372	51%	0.512	S	S	.	.	H	α-helix	trans	-64.4	-42.8	175.4	0	0	0	0	0	111.2	L94 N95 E96 R101 L102	L94-A98 WeakPolarHBondContact O-CB 3.49Å; L94-A98 PolarHBondContact O-N 3.4Å; N95-A98 WeakPolarHBondContact O-CB 3.32Å; N95-A98 PolarHBondContact O-N 2.8Å; N95-A98 VanDerWaalsContact O-N 3.16Å; E96-A98 VanDerWaalsContact C-N 3.34Å; E96-A98 PolarHBondContact O-N 3.01Å; A98-R101 PolarHBondContact O-N 3.36Å; A98-L102 WeakPolarHBondContact O-CG 3.37Å; A98-L102 PolarHBondContact O-N 3.46Å
99	I	87.4	Confident	88	Confident	90 Å²	90	98.5 Å²	98.5	46%	0.462	50%	0.5	S	S	.	.	H	α-helix	trans	-60	-46.9	174.3	-69.2	164.6	0	0	0	110.5	N95 E96 R101 L102 Q103	N95-I99 VanDerWaalsContact O-CG1 3.29Å; N95-I99 WeakPolarHBondContact O-CG1 3.45Å; N95-I99 PolarHBondContact O-N 3.42Å; E96-I99 PolarHBondContact O-N 3.08Å; I99-R101 VanDerWaalsContact C-N 3.3Å; I99-R101 PolarHBondContact O-N 3.22Å; I99-L102 PolarHBondContact O-N 3.43Å; I99-L102 VanDerWaalsContact O-N 3.15Å; I99-Q103 HydrophobicContact CG2-CG 4.36Å; I99-Q103 WeakPolarHBondContact O-CG 3.44Å; I99-Q103 PolarHBondContact O-N 3.41Å
100	A	91.1	Very high	87.9	Confident	50 Å²	50	97.4 Å²	97.4	41%	0.413	50%	0.497	S	S	.	.	H	α-helix	trans	-60	-40.1	178.1	0	0	0	0	0	112.2	E96 N97 Q103 A104	E96-A100 PolarHBondContact O-N 3.38Å; N97-A100 PolarHBondContact O-N 2.99Å; A100-Q103 PolarHBondContact O-N 3.18Å; A100-A104 PolarHBondContact O-N 3.1Å
101	R	87	Confident	88.1	Confident	191 Å²	191	95.5 Å²	95.5	72%	0.721	49%	0.494	S	S	*	.	H	α-helix	trans	-64.9	-42.4	174.2	-72.4	174.1	-177	-171.7	1.2	112.2	N97 A98 I99 Q103 A104 N105	N97-R101 WeakPolarHBondContact O-CG 3.33Å; N97-R101 PolarHBondContact O-N 2.93Å; A98-R101 PolarHBondContact O-N 3.36Å; I99-R101 VanDerWaalsContact C-N 3.3Å; I99-R101 PolarHBondContact O-N 3.22Å; R101-Q103 VanDerWaalsContact C-N 3.34Å; R101-A104 PolarHBondContact O-N 2.89Å; R101-N105 WeakPolarHBondContact O-CB 3.39Å; R101-N105 PolarHBondContact O-N 3.29Å
102	L	86.2	Confident	88.3	Confident	83 Å²	83	93.1 Å²	93.1	44%	0.435	49%	0.49	S	S	.	.	H	α-helix	trans	-64.1	-39.8	175.9	-72.4	167.5	0	0	0	111.5	A98 I99 N105 H106 T250 V252	A98-L102 WeakPolarHBondContact O-CG 3.37Å; A98-L102 PolarHBondContact O-N 3.46Å; I99-L102 PolarHBondContact O-N 3.43Å; I99-L102 VanDerWaalsContact O-N 3.15Å; L102-N105 PolarHBondContact O-N 3.02Å; L102-H106 WeakPolarHBondContact O-CB 3.32Å; L102-H106 PolarHBondContact O-N 3.22Å; L102-T250 HydrophobicContact CD2-CG2 4Å; L102-V252 HydrophobicContact CD2-CG2 4.11Å
103	Q	88.9	Confident	88.3	Confident	119 Å²	119	90.3 Å²	90.3	56%	0.556	48%	0.477	S	S	*	.	H	α-helix	trans	-64.9	-39.5	174.7	-72.5	176.5	-15.6	0	0	112.3	I99 A100 R101 H106 K107	I99-Q103 HydrophobicContact CG2-CG 4.36Å; I99-Q103 WeakPolarHBondContact O-CG 3.44Å; I99-Q103 PolarHBondContact O-N 3.41Å; A100-Q103 PolarHBondContact O-N 3.18Å; R101-Q103 VanDerWaalsContact C-N 3.34Å; Q103-H106 PolarHBondContact O-N 3.43Å; Q103-K107 WeakPolarHBondContact O-CG 3.33Å; Q103-K107 PolarHBondContact O-N 3.23Å; Q103-K107 VanDerWaalsContact O-N 3.16Å
104	A	87.6	Confident	88.4	Confident	59 Å²	59	86.8 Å²	86.8	49%	0.488	47%	0.47	S	S	.	.	H	α-helix	trans	-65.2	-43.6	173.4	0	0	0	0	0	111.6	A100 R101 K107 S108	A100-A104 PolarHBondContact O-N 3.1Å; R101-A104 PolarHBondContact O-N 2.89Å; A104-K107 PolarHBondContact O-N 3.46Å; A104-S108 PolarHBondContact O-N 3.48Å
105	N	85.7	Confident	88.7	Confident	62 Å²	62	87.5 Å²	87.5	33%	0.332	47%	0.47	S	S	.	.	H	α-helix	trans	-61.1	-44.5	175	-178.1	-97.3	0	0	0	111.6	R101 L102 K107 S108 V109 T250	R101-N105 WeakPolarHBondContact O-CB 3.39Å; R101-N105 PolarHBondContact O-N 3.29Å; L102-N105 PolarHBondContact O-N 3.02Å; N105-K107 VanDerWaalsContact C-N 3.32Å; N105-K107 PolarHBondContact O-N 3.02Å; N105-S108 CarbonylContact O-C 3.59Å; N105-S108 WeakPolarHBondContact O-CA 3.3Å; N105-S108 VanDerWaalsContact O-CB 3.31Å; N105-S108 WeakPolarHBondContact O-CB 3.48Å; N105-S108 PolarHBondContact O-N 3.02Å; N105-V109 WeakPolarHBondContact O-CG2 3.48Å; N105-V109 PolarHBondContact O-N 2.7Å; N105-T250 WeakPolarHBondContact OD1-CG2 3.3Å; N105-T250 PolarHBondContact OD1-OG1 2.88Å; N105-T250 VanDerWaalsContact OD1-OG1 3.14Å
106	H	83.3	Confident	89.1	Confident	117 Å²	117	87.8 Å²	87.8	54%	0.542	48%	0.475	S	S	.	.	H	α-helix	trans	-55.2	-46.3	175.6	175	-98.2	0	0	0	111.9	L102 Q103 S108 V109 L110	L102-H106 WeakPolarHBondContact O-CB 3.32Å; L102-H106 PolarHBondContact O-N 3.22Å; Q103-H106 PolarHBondContact O-N 3.43Å; H106-S108 VanDerWaalsContact C-N 3.35Å; H106-S108 PolarHBondContact O-N 3.07Å; H106-V109 PolarHBondContact O-N 3.07Å; H106-L110 WeakPolarHBondContact O-CG 3.46Å; H106-L110 PolarHBondContact O-N 3.47Å; H106-L110 VanDerWaalsContact O-N 3.11Å
107	K	87.7	Confident	89.2	Confident	149 Å²	149	88 Å²	88	65%	0.648	47%	0.474	S	S	*	.	H	α-helix	trans	-61.9	-41.9	174.2	-69.4	177.7	-177.8	179.8	0	112	Q103 A104 N105 L110 V111	Q103-K107 WeakPolarHBondContact O-CG 3.33Å; Q103-K107 PolarHBondContact O-N 3.23Å; Q103-K107 VanDerWaalsContact O-N 3.16Å; A104-K107 PolarHBondContact O-N 3.46Å; N105-K107 VanDerWaalsContact C-N 3.32Å; N105-K107 PolarHBondContact O-N 3.02Å; K107-L110 PolarHBondContact O-N 2.94Å; K107-V111 WeakPolarHBondContact O-CG2 3.42Å; K107-V111 PolarHBondContact O-N 2.96Å; K107-V111 VanDerWaalsContact O-N 3.09Å
108	S	89.4	Confident	89.7	Confident	65 Å²	65	88.3 Å²	88.3	46%	0.455	48%	0.479	S	S	.	.	H	α-helix	trans	-60.6	-45.2	176.8	-167.5	0	0	0	0	112	A104 N105 H106 L110 V111 S112	A104-S108 PolarHBondContact O-N 3.48Å; N105-S108 CarbonylContact O-C 3.59Å; N105-S108 WeakPolarHBondContact O-CA 3.3Å; N105-S108 VanDerWaalsContact O-CB 3.31Å; N105-S108 WeakPolarHBondContact O-CB 3.48Å; N105-S108 PolarHBondContact O-N 3.02Å; H106-S108 VanDerWaalsContact C-N 3.35Å; H106-S108 PolarHBondContact O-N 3.07Å; S108-L110 VanDerWaalsContact C-N 3.33Å; S108-L110 PolarHBondContact O-N 3.45Å; S108-V111 PolarHBondContact O-N 3.44Å; S108-S112 PolarHBondContact O-N 3.22Å; S108-S112 PolarHBondContact O-OG 3.22Å; S108-S112 VanDerWaalsContact O-OG 3.14Å
109	V	87.3	Confident	90.2	Very high	46 Å²	46	90 Å²	90	28%	0.279	48%	0.484	S	S	.	.	H	α-helix	trans	-60.4	-44	177.5	171.8	0	0	0	0	110.6	N105 H106 V111 S112 V113 I248	N105-V109 WeakPolarHBondContact O-CG2 3.48Å; N105-V109 PolarHBondContact O-N 2.7Å; H106-V109 PolarHBondContact O-N 3.07Å; V109-V111 VanDerWaalsContact C-N 3.31Å; V109-V111 PolarHBondContact O-N 3.33Å; V109-S112 PolarHBondContact O-N 2.91Å; V109-V113 HydrophobicContact CG1-CG2 4.14Å; V109-V113 WeakPolarHBondContact O-CB 3.47Å; V109-V113 VanDerWaalsContact O-CG2 3.3Å; V109-V113 WeakPolarHBondContact O-CG2 3.14Å; V109-V113 PolarHBondContact O-N 3.09Å; V109-I248 HydrophobicContact CG1-CG2 3.87Å
110	L	89.6	Confident	90.6	Very high	95 Å²	95	87.6 Å²	87.6	50%	0.497	48%	0.479	S	S	.	.	H	α-helix	trans	-59	-42.6	176.6	-71.2	175.5	0	0	0	112.3	H106 K107 S108 S114	H106-L110 WeakPolarHBondContact O-CG 3.46Å; H106-L110 PolarHBondContact O-N 3.47Å; H106-L110 VanDerWaalsContact O-N 3.11Å; K107-L110 PolarHBondContact O-N 2.94Å; S108-L110 VanDerWaalsContact C-N 3.33Å; S108-L110 PolarHBondContact O-N 3.45Å; L110-S114 WeakPolarHBondContact O-CB 3.35Å; L110-S114 PolarHBondContact O-N 3.34Å; L110-S114 VanDerWaalsContact O-N 3.1Å; L110-S114 PolarHBondContact O-OG 3.38Å
111	V	92.1	Very high	90.8	Very high	82 Å²	82	91.9 Å²	91.9	50%	0.497	49%	0.49	S	S	.	.	H	α-helix	trans	-65.4	-52.8	176.8	173.3	0	0	0	0	110.5	K107 S108 V109 V113 S114 E115	K107-V111 WeakPolarHBondContact O-CG2 3.42Å; K107-V111 PolarHBondContact O-N 2.96Å; K107-V111 VanDerWaalsContact O-N 3.09Å; S108-V111 PolarHBondContact O-N 3.44Å; V109-V111 VanDerWaalsContact C-N 3.31Å; V109-V111 PolarHBondContact O-N 3.33Å; V111-V113 PolarHBondContact O-N 3.31Å; V111-S114 CarbonylContact O-C 3.58Å; V111-S114 WeakPolarHBondContact O-CA 3.4Å; V111-S114 WeakPolarHBondContact O-CB 3.31Å; V111-S114 PolarHBondContact O-N 2.9Å; V111-E115 HydrophobicContact CG1-CG 4.43Å; V111-E115 WeakPolarHBondContact O-CG 3.42Å; V111-E115 PolarHBondContact O-N 2.97Å
112	S	90.5	Very high	91.3	Very high	54 Å²	54	87.9 Å²	87.9	38%	0.378	48%	0.479	S	S	.	.	H	α-helix	trans	-61.4	-41.2	-177.7	-59.3	0	0	0	0	112.9	S108 V109 S114 E115 V116	S108-S112 PolarHBondContact O-N 3.22Å; S108-S112 PolarHBondContact O-OG 3.22Å; S108-S112 VanDerWaalsContact O-OG 3.14Å; V109-S112 PolarHBondContact O-N 2.91Å; S112-S114 VanDerWaalsContact C-N 3.3Å; S112-S114 PolarHBondContact O-N 3.06Å; S112-E115 PolarHBondContact O-N 3.28Å; S112-V116 WeakPolarHBondContact O-CG2 3.5Å; S112-V116 PolarHBondContact O-N 3.05Å; S112-V116 VanDerWaalsContact O-N 3.09Å
113	V	90.5	Very high	91.8	Very high	45 Å²	45	88.9 Å²	88.9	27%	0.273	48%	0.48	S	S	.	.	H	α-helix	trans	-65	-36.7	174.5	171.5	0	0	0	0	111	V109 V111 V116 K117 I248	V109-V113 HydrophobicContact CG1-CG2 4.14Å; V109-V113 WeakPolarHBondContact O-CB 3.47Å; V109-V113 VanDerWaalsContact O-CG2 3.3Å; V109-V113 WeakPolarHBondContact O-CG2 3.14Å; V109-V113 PolarHBondContact O-N 3.09Å; V111-V113 PolarHBondContact O-N 3.31Å; V113-V116 PolarHBondContact O-N 3.23Å; V113-K117 HydrophobicContact CG1-CD 4.36Å; V113-K117 WeakPolarHBondContact O-CG 3.47Å; V113-K117 PolarHBondContact O-N 3.44Å; V113-I248 HydrophobicContact CG2-CD1 4.01Å; V113-I248 HydrophobicContact CG2-CG2 4.44Å
114	S	94	Very high	92.1	Very high	63 Å²	63	87.6 Å²	87.6	44%	0.441	47%	0.473	S	S	.	.	H	α-helix	trans	-67.4	-39.5	176.8	-58.5	0	0	0	0	111.9	L110 V111 S112 K117 V118	L110-S114 WeakPolarHBondContact O-CB 3.35Å; L110-S114 PolarHBondContact O-N 3.34Å; L110-S114 VanDerWaalsContact O-N 3.1Å; L110-S114 PolarHBondContact O-OG 3.38Å; V111-S114 CarbonylContact O-C 3.58Å; V111-S114 WeakPolarHBondContact O-CA 3.4Å; V111-S114 WeakPolarHBondContact O-CB 3.31Å; V111-S114 PolarHBondContact O-N 2.9Å; S112-S114 VanDerWaalsContact C-N 3.3Å; S112-S114 PolarHBondContact O-N 3.06Å; S114-K117 WeakPolarHBondContact O-CB 3.49Å; S114-K117 PolarHBondContact O-N 3.33Å; S114-V118 WeakPolarHBondContact O-CG2 3.33Å; S114-V118 PolarHBondContact O-N 3.39Å
115	E	94.6	Very high	92.5	Very high	118 Å²	118	86.6 Å²	86.6	55%	0.551	47%	0.468	S	S	*	.	H	α-helix	trans	-60.1	-45.6	173.9	-70	169.7	168.3	0	0	111.4	V111 S112 K117 V118 V119	V111-E115 HydrophobicContact CG1-CG 4.43Å; V111-E115 WeakPolarHBondContact O-CG 3.42Å; V111-E115 PolarHBondContact O-N 2.97Å; S112-E115 PolarHBondContact O-N 3.28Å; E115-K117 VanDerWaalsContact C-N 3.32Å; E115-K117 PolarHBondContact O-N 3.05Å; E115-V118 PolarHBondContact O-N 3.28Å; E115-V119 PolarHBondContact O-N 2.94Å; E115-V119 VanDerWaalsContact O-N 3.14Å
116	V	93.3	Very high	93	Very high	104 Å²	104	88.4 Å²	88.4	63%	0.63	48%	0.475	S	S	*	.	H	α-helix	trans	-64.5	-37.3	176.3	176.4	0	0	0	0	111.5	S112 V113 V119 A120	S112-V116 WeakPolarHBondContact O-CG2 3.5Å; S112-V116 PolarHBondContact O-N 3.05Å; S112-V116 VanDerWaalsContact O-N 3.09Å; V113-V116 PolarHBondContact O-N 3.23Å; V116-V119 PolarHBondContact O-N 3.47Å; V116-A120 PolarHBondContact O-N 3.06Å
117	K	95.4	Very high	93.6	Very high	129 Å²	129	85.5 Å²	85.5	56%	0.561	46%	0.463	S	S	*	.	H	α-helix	trans	-61.5	-41.9	174	-76.9	175	177.7	-178.2	0	112.1	V113 S114 E115 V119 A120 E121	V113-K117 HydrophobicContact CG1-CD 4.36Å; V113-K117 WeakPolarHBondContact O-CG 3.47Å; V113-K117 PolarHBondContact O-N 3.44Å; S114-K117 WeakPolarHBondContact O-CB 3.49Å; S114-K117 PolarHBondContact O-N 3.33Å; E115-K117 VanDerWaalsContact C-N 3.32Å; E115-K117 PolarHBondContact O-N 3.05Å; K117-V119 VanDerWaalsContact C-N 3.34Å; K117-V119 PolarHBondContact O-N 3.41Å; K117-A120 WeakPolarHBondContact O-CB 3.31Å; K117-A120 PolarHBondContact O-N 3.01Å; K117-E121 WeakPolarHBondContact O-CG 3.3Å; K117-E121 PolarHBondContact O-N 3.39Å
118	V	97.1	Very high	94	Very high	89 Å²	89	82.9 Å²	82.9	54%	0.539	46%	0.456	S	S	.	.	H	α-helix	trans	-61.2	-44.3	176.5	171.2	0	0	0	0	110.9	S114 E115 A120 E121 E122	S114-V118 WeakPolarHBondContact O-CG2 3.33Å; S114-V118 PolarHBondContact O-N 3.39Å; E115-V118 PolarHBondContact O-N 3.28Å; V118-A120 VanDerWaalsContact C-N 3.32Å; V118-A120 PolarHBondContact O-N 3.13Å; V118-E121 PolarHBondContact O-N 2.72Å; V118-E122 WeakPolarHBondContact O-CB 3.32Å; V118-E122 PolarHBondContact O-N 3.33Å
119	V	95.8	Very high	94.4	Very high	79 Å²	79	82.4 Å²	82.4	48%	0.479	46%	0.456	S	S	.	.	H	α-helix	trans	-61.8	-42	175.4	176.5	0	0	0	0	111.1	E115 V116 K117 E122 K123	E115-V119 PolarHBondContact O-N 2.94Å; E115-V119 VanDerWaalsContact O-N 3.14Å; V116-V119 PolarHBondContact O-N 3.47Å; K117-V119 VanDerWaalsContact C-N 3.34Å; K117-V119 PolarHBondContact O-N 3.41Å; V119-E122 PolarHBondContact O-N 3.08Å; V119-K123 HydrophobicContact CG1-CG 4.41Å; V119-K123 WeakPolarHBondContact O-CG 3.42Å; V119-K123 PolarHBondContact O-N 3.34Å
120	A	94.7	Very high	94.8	Very high	41 Å²	41	83 Å²	83	34%	0.339	47%	0.465	S	S	.	.	H	α-helix	trans	-61.2	-47.6	176.2	0	0	0	0	0	111.3	V116 K117 V118 E122 K123 F124	V116-A120 PolarHBondContact O-N 3.06Å; K117-A120 WeakPolarHBondContact O-CB 3.31Å; K117-A120 PolarHBondContact O-N 3.01Å; V118-A120 VanDerWaalsContact C-N 3.32Å; V118-A120 PolarHBondContact O-N 3.13Å; A120-E122 PolarHBondContact O-N 2.97Å; A120-K123 PolarHBondContact O-N 3.17Å; A120-F124 WeakPolarHBondContact O-CD2 3.41Å; A120-F124 PolarHBondContact O-N 3.28Å
121	E	96.6	Very high	95.1	Very high	139 Å²	139	81.8 Å²	81.8	65%	0.65	46%	0.462	S	S	*	.	H	α-helix	trans	-59.7	-43.4	177.1	-74.7	176.6	-179	0	0	112.2	K117 V118 G125	K117-E121 WeakPolarHBondContact O-CG 3.3Å; K117-E121 PolarHBondContact O-N 3.39Å; V118-E121 PolarHBondContact O-N 2.72Å; E121-G125 PolarHBondContact O-N 3.18Å
122	E	97.6	Very high	95.4	Very high	107 Å²	107	85.9 Å²	85.9	50%	0.5	47%	0.468	S	S	.	.	H	α-helix	trans	-58.9	-49.9	175.7	-175.9	-174.3	178.4	0	0	111.2	V118 V119 A120 G125 E126	V118-E122 WeakPolarHBondContact O-CB 3.32Å; V118-E122 PolarHBondContact O-N 3.33Å; V119-E122 PolarHBondContact O-N 3.08Å; A120-E122 PolarHBondContact O-N 2.97Å; E122-G125 WeakPolarHBondContact O-CA 3.49Å; E122-G125 PolarHBondContact O-N 3.49Å; E122-G125 VanDerWaalsContact O-N 3.09Å; E122-E126 PolarHBondContact O-N 3.28Å
123	K	95.7	Very high	95.7	Very high	104 Å²	104	90 Å²	90	45%	0.452	48%	0.479	S	S	.	.	H	α-helix	trans	-68.9	-36.7	-178	-63.5	-62.7	161.4	-152.8	0	113	V119 A120 G125 E126 L127	V119-K123 HydrophobicContact CG1-CG 4.41Å; V119-K123 WeakPolarHBondContact O-CG 3.42Å; V119-K123 PolarHBondContact O-N 3.34Å; A120-K123 PolarHBondContact O-N 3.17Å; K123-G125 VanDerWaalsContact C-N 3.29Å; K123-E126 IonicContact NZ-OE1 2.9Å; K123-E126 PolarHBondContact NZ-OE1 2.65Å; K123-E126 IonicContact NZ-OE2 3.75Å; K123-E126 PolarHBondContact O-N 3.48Å; K123-L127 PolarHBondContact O-N 3.35Å
124	F	95.4	Very high	95.9	Very high	93 Å²	93	90.3 Å²	90.3	41%	0.408	49%	0.486	S	S	.	.	H	α-helix	trans	-67.9	-32.1	170.6	-78.5	-65.4	0	0	0	111.9	A120 L127 L128 Y233	A120-F124 WeakPolarHBondContact O-CD2 3.41Å; A120-F124 PolarHBondContact O-N 3.28Å; F124-L127 HydrophobicContact CD1-CD2 4.16Å; F124-L127 PolarHBondContact O-N 3.33Å; F124-L128 VanDerWaalsContact O-CG 3.32Å; F124-L128 WeakPolarHBondContact O-CG 3.3Å; F124-L128 PolarHBondContact O-N 2.67Å; F124-Y233 HydrophobicContact CZ-CD1 4.02Å; F124-Y233 HydrophobicContact CZ-CE1 4.24Å
125	G	96.7	Very high	96.1	Very high	37 Å²	37	93.3 Å²	93.3	38%	0.381	49%	0.494	S	S	.	.	H	α-helix	trans	-60.9	-48	171	0	0	0	0	0	112.9	E121 E122 K123 L127 L128 A129	E121-G125 PolarHBondContact O-N 3.18Å; E122-G125 WeakPolarHBondContact O-CA 3.49Å; E122-G125 PolarHBondContact O-N 3.49Å; E122-G125 VanDerWaalsContact O-N 3.09Å; K123-G125 VanDerWaalsContact C-N 3.29Å; G125-L127 VanDerWaalsContact C-N 3.34Å; G125-L127 PolarHBondContact O-N 2.97Å; G125-L128 PolarHBondContact O-N 2.83Å; G125-A129 PolarHBondContact O-N 3.23Å
126	E	96.8	Very high	96.2	Very high	100 Å²	100	90.1 Å²	90.1	47%	0.467	49%	0.488	S	S	.	.	H	α-helix	trans	-58.3	-44.9	174.2	-72.8	175.6	-145	0	0	111.6	E122 K123 A129 A130	E122-E126 PolarHBondContact O-N 3.28Å; K123-E126 IonicContact NZ-OE1 2.9Å; K123-E126 PolarHBondContact NZ-OE1 2.65Å; K123-E126 IonicContact NZ-OE2 3.75Å; K123-E126 PolarHBondContact O-N 3.48Å; E126-A129 PolarHBondContact O-N 3.31Å; E126-A130 PolarHBondContact O-N 2.91Å
127	L	95.3	Very high	96.4	Very high	56 Å²	56	89.7 Å²	89.7	29%	0.293	48%	0.481	S	S	.	.	H	α-helix	trans	-61	-46.9	177.3	177.5	68.1	0	0	0	111.8	K123 F124 G125 A129 A130 V131 L230	K123-L127 PolarHBondContact O-N 3.35Å; F124-L127 HydrophobicContact CD1-CD2 4.16Å; F124-L127 PolarHBondContact O-N 3.33Å; G125-L127 VanDerWaalsContact C-N 3.34Å; G125-L127 PolarHBondContact O-N 2.97Å; L127-A129 VanDerWaalsContact C-N 3.29Å; L127-A129 PolarHBondContact O-N 3.46Å; L127-A130 WeakPolarHBondContact O-CB 3.41Å; L127-A130 PolarHBondContact O-N 3.43Å; L127-V131 WeakPolarHBondContact O-CG2 3.45Å; L127-V131 PolarHBondContact O-N 3.09Å; L127-L230 HydrophobicContact CD2-CD1 4.29Å; L127-L230 HydrophobicContact CD2-CD2 3.35Å; L127-L230 HydrophobicContact CD2-CG 4.45Å
128	L	96.2	Very high	96.4	Very high	95 Å²	95	86.3 Å²	86.3	50%	0.497	47%	0.472	S	S	.	.	H	α-helix	trans	-61.9	-37.9	177.9	-74	171.7	0	0	0	111.8	F124 G125 V131 R132	F124-L128 VanDerWaalsContact O-CG 3.32Å; F124-L128 WeakPolarHBondContact O-CG 3.3Å; F124-L128 PolarHBondContact O-N 2.67Å; G125-L128 PolarHBondContact O-N 2.83Å; L128-V131 PolarHBondContact O-N 3.44Å; L128-R132 WeakPolarHBondContact O-CG 3.34Å; L128-R132 PolarHBondContact O-N 2.82Å
129	A	97.5	Very high	96.4	Very high	55 Å²	55	86.7 Å²	86.7	46%	0.455	47%	0.469	S	S	.	.	H	α-helix	trans	-63.8	-43	174.5	0	0	0	0	0	111.5	G125 E126 L127 R132 K133	G125-A129 PolarHBondContact O-N 3.23Å; E126-A129 PolarHBondContact O-N 3.31Å; L127-A129 VanDerWaalsContact C-N 3.29Å; L127-A129 PolarHBondContact O-N 3.46Å; A129-R132 PolarHBondContact O-N 2.94Å; A129-K133 WeakPolarHBondContact O-CB 3.28Å; A129-K133 PolarHBondContact O-N 3Å
130	A	96.2	Very high	96.5	Very high	58 Å²	58	86.3 Å²	86.3	48%	0.479	47%	0.466	S	S	.	.	H	α-helix	trans	-62.9	-42.4	175.7	0	0	0	0	0	112.2	E126 L127 K133 A134	E126-A130 PolarHBondContact O-N 2.91Å; L127-A130 WeakPolarHBondContact O-CB 3.41Å; L127-A130 PolarHBondContact O-N 3.43Å; A130-K133 PolarHBondContact O-N 3.4Å; A130-A134 WeakPolarHBondContact O-CB 3.33Å; A130-A134 PolarHBondContact O-N 2.93Å
131	V	95.8	Very high	96.5	Very high	70 Å²	70	88.4 Å²	88.4	42%	0.424	47%	0.468	S	S	.	.	H	α-helix	trans	-62.6	-45.3	175.9	171.1	0	0	0	0	111.2	L127 L128 K133 A134 Q135	L127-V131 WeakPolarHBondContact O-CG2 3.45Å; L127-V131 PolarHBondContact O-N 3.09Å; L128-V131 PolarHBondContact O-N 3.44Å; V131-K133 VanDerWaalsContact C-N 3.33Å; V131-K133 PolarHBondContact O-N 3.2Å; V131-A134 PolarHBondContact O-N 2.86Å; V131-Q135 WeakPolarHBondContact O-CB 3.48Å; V131-Q135 PolarHBondContact O-N 3.11Å
132	R	97.2	Very high	96.4	Very high	167 Å²	167	84.5 Å²	84.5	63%	0.63	45%	0.451	S	S	*	.	H	α-helix	trans	-61.7	-41.3	176.2	-75.6	-179.5	-176.4	129.5	-0	112.1	L128 A129 Q135 A136	L128-R132 WeakPolarHBondContact O-CG 3.34Å; L128-R132 PolarHBondContact O-N 2.82Å; A129-R132 PolarHBondContact O-N 2.94Å; R132-Q135 WeakPolarHBondContact O-CB 3.22Å; R132-Q135 PolarHBondContact O-N 3.19Å; R132-A136 PolarHBondContact O-N 3.14Å
133	K	97.2	Very high	96.4	Very high	140 Å²	140	84.8 Å²	84.8	61%	0.609	45%	0.453	S	S	*	.	H	α-helix	trans	-62	-49.1	175.6	-177.7	177.9	176.9	-178.4	0	111	A129 A130 V131 Q135 A136 D137	A129-K133 WeakPolarHBondContact O-CB 3.28Å; A129-K133 PolarHBondContact O-N 3Å; A130-K133 PolarHBondContact O-N 3.4Å; V131-K133 VanDerWaalsContact C-N 3.33Å; V131-K133 PolarHBondContact O-N 3.2Å; K133-Q135 VanDerWaalsContact C-N 3.27Å; K133-Q135 PolarHBondContact O-N 3.39Å; K133-A136 WeakPolarHBondContact O-CB 3.49Å; K133-A136 PolarHBondContact O-N 2.88Å; K133-A136 VanDerWaalsContact O-N 3.1Å; K133-D137 PolarHBondContact O-N 2.85Å
134	A	95.6	Very high	96.3	Very high	52 Å²	52	85.6 Å²	85.6	43%	0.43	46%	0.458	S	S	.	.	H	α-helix	trans	-59.2	-39.5	177.4	0	0	0	0	0	112.1	A130 V131 D137 V138	A130-A134 WeakPolarHBondContact O-CB 3.33Å; A130-A134 PolarHBondContact O-N 2.93Å; V131-A134 PolarHBondContact O-N 2.86Å; A134-D137 PolarHBondContact O-N 2.62Å; A134-V138 VanDerWaalsContact O-CG2 3.32Å; A134-V138 WeakPolarHBondContact O-CG2 3.44Å; A134-V138 PolarHBondContact O-N 2.79Å
135	Q	96.2	Very high	96.1	Very high	127 Å²	127	86.5 Å²	86.5	59%	0.593	46%	0.462	S	S	*	.	H	α-helix	trans	-60.2	-48.6	173.5	-176.6	-175.7	15.4	0	0	111.4	V131 R132 K133 D137 V138 M139	V131-Q135 WeakPolarHBondContact O-CB 3.48Å; V131-Q135 PolarHBondContact O-N 3.11Å; R132-Q135 WeakPolarHBondContact O-CB 3.22Å; R132-Q135 PolarHBondContact O-N 3.19Å; K133-Q135 VanDerWaalsContact C-N 3.27Å; K133-Q135 PolarHBondContact O-N 3.39Å; Q135-D137 VanDerWaalsContact C-N 3.34Å; Q135-D137 PolarHBondContact O-N 3.01Å; Q135-V138 PolarHBondContact O-N 3.21Å; Q135-M139 WeakPolarHBondContact O-CG 3.46Å; Q135-M139 PolarHBondContact O-N 3.34Å
136	A	97.8	Very high	95.9	Very high	51 Å²	51	90.6 Å²	90.6	42%	0.421	47%	0.471	S	S	.	.	H	α-helix	trans	-59.6	-44.6	178.4	0	0	0	0	0	111.8	R132 K133 V138 M139 V140	R132-A136 PolarHBondContact O-N 3.14Å; K133-A136 WeakPolarHBondContact O-CB 3.49Å; K133-A136 PolarHBondContact O-N 2.88Å; K133-A136 VanDerWaalsContact O-N 3.1Å; A136-V138 VanDerWaalsContact C-N 3.33Å; A136-V138 PolarHBondContact O-N 3.32Å; A136-M139 PolarHBondContact O-N 3.22Å; A136-V140 WeakPolarHBondContact O-CG2 3.27Å; A136-V140 PolarHBondContact O-N 2.94Å
137	D	97	Very high	95.8	Very high	94 Å²	94	90.8 Å²	90.8	50%	0.503	47%	0.472	S	S	.	.	H	α-helix	trans	-61.5	-40.5	178.5	-66.2	-18.9	0	0	0	111.7	K133 A134 Q135 F141	K133-D137 PolarHBondContact O-N 2.85Å; A134-D137 PolarHBondContact O-N 2.62Å; Q135-D137 VanDerWaalsContact C-N 3.34Å; Q135-D137 PolarHBondContact O-N 3.01Å; D137-F141 WeakPolarHBondContact O-CB 3.31Å; D137-F141 PolarHBondContact O-N 3.38Å
138	V	95.8	Very high	95.6	Very high	59 Å²	59	90.8 Å²	90.8	36%	0.358	48%	0.48	S	S	.	.	H	α-helix	trans	-65.4	-40.1	175.5	170.5	0	0	0	0	111.6	A134 Q135 A136 F141 L142 I219	A134-V138 VanDerWaalsContact O-CG2 3.32Å; A134-V138 WeakPolarHBondContact O-CG2 3.44Å; A134-V138 PolarHBondContact O-N 2.79Å; Q135-V138 PolarHBondContact O-N 3.21Å; A136-V138 VanDerWaalsContact C-N 3.33Å; A136-V138 PolarHBondContact O-N 3.32Å; V138-F141 PolarHBondContact O-N 2.78Å; V138-L142 HydrophobicContact CG1-CD1 4.29Å; V138-L142 WeakPolarHBondContact O-CG 3.23Å; V138-L142 PolarHBondContact O-N 3.07Å; V138-I219 HydrophobicContact CG1-CD1 3.93Å; V138-I219 HydrophobicContact CG1-CG1 4.37Å
139	M	96.9	Very high	95.2	Very high	96 Å²	96	87.6 Å²	87.6	47%	0.473	47%	0.467	S	S	.	.	H	α-helix	trans	-64.8	-46.6	178	-67.4	-56.8	-64	0	0	111.5	Q135 A136 F141 L142 E143	Q135-M139 WeakPolarHBondContact O-CG 3.46Å; Q135-M139 PolarHBondContact O-N 3.34Å; A136-M139 PolarHBondContact O-N 3.22Å; M139-F141 VanDerWaalsContact C-N 3.31Å; M139-F141 PolarHBondContact O-N 3.19Å; M139-L142 PolarHBondContact O-N 3.06Å; M139-L142 VanDerWaalsContact O-N 3.12Å; M139-E143 WeakPolarHBondContact O-CG 3.42Å; M139-E143 PolarHBondContact O-N 2.99Å
140	V	97.4	Very high	94.9	Very high	71 Å²	71	88.9 Å²	88.9	43%	0.43	47%	0.466	S	S	.	.	H	α-helix	trans	-58.8	-44	175.7	172.4	0	0	0	0	110.8	A136 L142 E143 E144	A136-V140 WeakPolarHBondContact O-CG2 3.27Å; A136-V140 PolarHBondContact O-N 2.94Å; V140-L142 VanDerWaalsContact C-N 3.31Å; V140-L142 PolarHBondContact O-N 3.42Å; V140-E143 PolarHBondContact O-N 3.43Å; V140-E144 HydrophobicContact CG1-CG 4.41Å; V140-E144 WeakPolarHBondContact O-CG 3.35Å; V140-E144 PolarHBondContact O-N 3.06Å
141	F	95.7	Very high	94.6	Very high	85 Å²	85	90.3 Å²	90.3	37%	0.373	47%	0.466	S	S	.	.	H	α-helix	trans	-57.9	-42.8	176	173.7	-92.6	0	0	0	112.4	D137 V138 M139 K145 I215	D137-F141 WeakPolarHBondContact O-CB 3.31Å; D137-F141 PolarHBondContact O-N 3.38Å; V138-F141 PolarHBondContact O-N 2.78Å; M139-F141 VanDerWaalsContact C-N 3.31Å; M139-F141 PolarHBondContact O-N 3.19Å; F141-K145 HydrophobicContact CD1-CG 4.44Å; F141-K145 HydrophobicContact CE1-CG 4.03Å; F141-K145 VanDerWaalsContact CE2-CE 3.45Å; F141-K145 HydrophobicContact CE2-CG 4.36Å; F141-K145 HydrophobicContact CZ-CD 4.45Å; F141-K145 HydrophobicContact CZ-CG 3.99Å; F141-K145 WeakPolarHBondContact O-CG 3.41Å; F141-K145 PolarHBondContact O-N 3Å; F141-K145 VanDerWaalsContact O-N 3.13Å; F141-I215 HydrophobicContact CE1-CD1 4.19Å
142	L	94.4	Very high	94.3	Very high	57 Å²	57	93.2 Å²	93.2	30%	0.298	48%	0.475	S	S	.	.	H	α-helix	trans	-66.7	-42.8	178.9	-70.8	173.8	0	0	0	111.8	V138 M139 V140 K145 E146 I215	V138-L142 HydrophobicContact CG1-CD1 4.29Å; V138-L142 WeakPolarHBondContact O-CG 3.23Å; V138-L142 PolarHBondContact O-N 3.07Å; M139-L142 PolarHBondContact O-N 3.06Å; M139-L142 VanDerWaalsContact O-N 3.12Å; V140-L142 VanDerWaalsContact C-N 3.31Å; V140-L142 PolarHBondContact O-N 3.42Å; L142-K145 PolarHBondContact O-N 3.01Å; L142-E146 WeakPolarHBondContact O-CB 3.47Å; L142-E146 PolarHBondContact O-N 3.49Å; L142-I215 HydrophobicContact CD2-CG2 3.98Å
143	E	96.5	Very high	93.8	Very high	114 Å²	114	89.3 Å²	89.3	53%	0.533	47%	0.469	S	S	.	.	H	α-helix	trans	-61	-43.9	176.5	-71.8	173.1	-176.2	0	0	111.6	M139 V140 K145 E146 Q147	M139-E143 WeakPolarHBondContact O-CG 3.42Å; M139-E143 PolarHBondContact O-N 2.99Å; V140-E143 PolarHBondContact O-N 3.43Å; E143-K145 VanDerWaalsContact C-N 3.35Å; E143-K145 PolarHBondContact O-N 3.4Å; E143-E146 PolarHBondContact O-N 2.8Å; E143-Q147 WeakPolarHBondContact O-CB 3.46Å; E143-Q147 PolarHBondContact O-N 2.89Å
144	E	95	Very high	93.5	Very high	120 Å²	120	86.9 Å²	86.9	56%	0.561	46%	0.463	S	S	*	.	H	α-helix	trans	-61.1	-42.1	175.9	-73.9	-179.9	169	0	0	112.2	V140 A148	V140-E144 HydrophobicContact CG1-CG 4.41Å; V140-E144 WeakPolarHBondContact O-CG 3.35Å; V140-E144 PolarHBondContact O-N 3.06Å; E144-A148 WeakPolarHBondContact O-CB 3.42Å; E144-A148 PolarHBondContact O-N 3.23Å
145	K	90.9	Very high	93.1	Very high	112 Å²	112	88.2 Å²	88.2	49%	0.487	47%	0.469	S	S	.	.	H	α-helix	trans	-69.5	-37.9	177.8	-67	-49.5	175.9	-160	0	112.3	F141 L142 E143 A149	F141-K145 HydrophobicContact CD1-CG 4.44Å; F141-K145 HydrophobicContact CE1-CG 4.03Å; F141-K145 VanDerWaalsContact CE2-CE 3.45Å; F141-K145 HydrophobicContact CE2-CG 4.36Å; F141-K145 HydrophobicContact CZ-CD 4.45Å; F141-K145 HydrophobicContact CZ-CG 3.99Å; F141-K145 WeakPolarHBondContact O-CG 3.41Å; F141-K145 PolarHBondContact O-N 3Å; F141-K145 VanDerWaalsContact O-N 3.13Å; L142-K145 PolarHBondContact O-N 3.01Å; E143-K145 VanDerWaalsContact C-N 3.35Å; E143-K145 PolarHBondContact O-N 3.4Å; K145-A149 WeakPolarHBondContact O-CB 3.38Å; K145-A149 PolarHBondContact O-N 3.09Å
146	E	91.6	Very high	92.7	Very high	123 Å²	123	85.6 Å²	85.6	58%	0.575	46%	0.458	S	S	*	.	H	α-helix	trans	-60	-52.9	173.1	178.6	176.7	-160.8	0	0	110.5	L142 E143 A148 A149 L150	L142-E146 WeakPolarHBondContact O-CB 3.47Å; L142-E146 PolarHBondContact O-N 3.49Å; E143-E146 PolarHBondContact O-N 2.8Å; E146-A148 VanDerWaalsContact C-N 3.32Å; E146-A148 PolarHBondContact O-N 2.77Å; E146-A149 WeakPolarHBondContact O-CB 3.32Å; E146-A149 PolarHBondContact O-N 2.83Å; E146-A149 VanDerWaalsContact O-N 3.12Å; E146-L150 HydrophobicContact CG-CD1 4.02Å; E146-L150 HydrophobicContact CG-CG 4.43Å; E146-L150 WeakPolarHBondContact O-CG 3.4Å; E146-L150 PolarHBondContact O-N 3.14Å
147	Q	95	Very high	92.3	Very high	105 Å²	105	88.3 Å²	88.3	49%	0.491	46%	0.461	S	S	.	.	H	α-helix	trans	-62	-40.5	-178.4	-170.4	61	52.4	0	0	112	E143 A149 L150 N151	E143-Q147 WeakPolarHBondContact O-CB 3.46Å; E143-Q147 PolarHBondContact O-N 2.89Å; Q147-A149 PolarHBondContact O-N 3.22Å; Q147-L150 PolarHBondContact O-N 3.29Å; Q147-N151 PolarHBondContact NE2-OD1 2.83Å; Q147-N151 WeakPolarHBondContact O-CB 3.32Å; Q147-N151 PolarHBondContact O-N 2.9Å; Q147-N151 PolarHBondContact O-ND2 3.48Å
148	A	90.9	Very high	92	Very high	56 Å²	56	88 Å²	88	46%	0.463	46%	0.462	S	S	.	.	H	α-helix	trans	-61.8	-42.6	175.2	0	0	0	0	0	112.1	E144 E146 Q152	E144-A148 WeakPolarHBondContact O-CB 3.42Å; E144-A148 PolarHBondContact O-N 3.23Å; E146-A148 VanDerWaalsContact C-N 3.32Å; E146-A148 PolarHBondContact O-N 2.77Å; A148-Q152 WeakPolarHBondContact O-CB 3.42Å; A148-Q152 PolarHBondContact O-N 3.23Å
149	A	88.4	Confident	91.7	Very high	28 Å²	28	90.6 Å²	90.6	23%	0.231	47%	0.47	C	S	.	.	H	α-helix	trans	-65.3	-43	176.7	0	0	0	0	0	111.7	K145 E146 Q147 Q152 V153	K145-A149 WeakPolarHBondContact O-CB 3.38Å; K145-A149 PolarHBondContact O-N 3.09Å; E146-A149 WeakPolarHBondContact O-CB 3.32Å; E146-A149 PolarHBondContact O-N 2.83Å; E146-A149 VanDerWaalsContact O-N 3.12Å; Q147-A149 PolarHBondContact O-N 3.22Å; A149-Q152 PolarHBondContact O-N 2.81Å; A149-V153 WeakPolarHBondContact O-CG2 3.31Å; A149-V153 PolarHBondContact O-N 2.99Å
150	L	90.9	Very high	91.3	Very high	82 Å²	82	89.7 Å²	89.7	43%	0.429	47%	0.467	S	S	.	.	H	α-helix	trans	-62.9	-43.9	176.8	-70.4	175.1	0	0	0	112	E146 Q147 Q152 V153 N154	E146-L150 HydrophobicContact CG-CD1 4.02Å; E146-L150 HydrophobicContact CG-CG 4.43Å; E146-L150 WeakPolarHBondContact O-CG 3.4Å; E146-L150 PolarHBondContact O-N 3.14Å; Q147-L150 PolarHBondContact O-N 3.29Å; L150-Q152 VanDerWaalsContact C-N 3.31Å; L150-Q152 PolarHBondContact O-N 3.45Å; L150-V153 PolarHBondContact O-N 2.83Å; L150-N154 PolarHBondContact O-N 2.98Å; L150-N154 PolarHBondContact O-ND2 2.71Å
151	N	90.8	Very high	91	Very high	88 Å²	88	90.9 Å²	90.9	47%	0.471	47%	0.468	S	S	.	.	H	α-helix	trans	-61.3	-41.2	176.1	-70.8	-13.5	0	0	0	111.5	Q147 N154 S155	Q147-N151 PolarHBondContact NE2-OD1 2.83Å; Q147-N151 WeakPolarHBondContact O-CB 3.32Å; Q147-N151 PolarHBondContact O-N 2.9Å; Q147-N151 PolarHBondContact O-ND2 3.48Å; N151-N154 PolarHBondContact O-N 2.77Å; N151-S155 PolarHBondContact O-N 3.43Å
152	Q	88.9	Confident	90.7	Very high	130 Å²	130	91.8 Å²	91.8	61%	0.607	47%	0.473	S	S	*	.	H	α-helix	trans	-62.6	-45.7	176.1	-173	178.3	30.3	0	0	111.7	A148 A149 L150 N154 S155 I156	A148-Q152 WeakPolarHBondContact O-CB 3.42Å; A148-Q152 PolarHBondContact O-N 3.23Å; A149-Q152 PolarHBondContact O-N 2.81Å; L150-Q152 VanDerWaalsContact C-N 3.31Å; L150-Q152 PolarHBondContact O-N 3.45Å; Q152-N154 VanDerWaalsContact C-N 3.34Å; Q152-N154 PolarHBondContact O-N 2.79Å; Q152-S155 PolarHBondContact O-N 3.45Å; Q152-I156 HydrophobicContact CG-CD1 4.01Å; Q152-I156 WeakPolarHBondContact O-CG1 3.43Å; Q152-I156 PolarHBondContact O-N 2.86Å
153	V	87.8	Confident	90.3	Very high	86 Å²	86	91.9 Å²	91.9	52%	0.521	47%	0.469	S	S	.	.	H	α-helix	trans	-59.6	-45.1	176.6	169.1	0	0	0	0	111	A149 L150 S155 I156 K157	A149-V153 WeakPolarHBondContact O-CG2 3.31Å; A149-V153 PolarHBondContact O-N 2.99Å; L150-V153 PolarHBondContact O-N 2.83Å; V153-S155 PolarHBondContact O-N 3.32Å; V153-I156 PolarHBondContact O-N 3.47Å; V153-K157 VanDerWaalsContact O-CB 3.3Å; V153-K157 WeakPolarHBondContact O-CB 3.33Å; V153-K157 PolarHBondContact O-N 3.35Å
154	N	90.3	Very high	89.9	Confident	88 Å²	88	90 Å²	90	47%	0.471	47%	0.469	S	S	.	.	H	α-helix	trans	-64.7	-39.1	179.5	-73.7	-28.7	0	0	0	112.6	L150 N151 Q152 K157 T158	L150-N154 PolarHBondContact O-N 2.98Å; L150-N154 PolarHBondContact O-ND2 2.71Å; N151-N154 PolarHBondContact O-N 2.77Å; Q152-N154 VanDerWaalsContact C-N 3.34Å; Q152-N154 PolarHBondContact O-N 2.79Å; N154-K157 PolarHBondContact O-N 3.19Å; N154-T158 WeakPolarHBondContact O-CB 3.29Å; N154-T158 PolarHBondContact O-N 3.14Å; N154-T158 PolarHBondContact O-OG1 2.68Å
155	S	87.5	Confident	89.7	Confident	81 Å²	81	89.6 Å²	89.6	57%	0.566	47%	0.47	S	S	*	.	H	α-helix	trans	-63.2	-47.8	175.2	-178.6	0	0	0	0	111.7	N151 Q152 V153 K157 T158 H159	N151-S155 PolarHBondContact O-N 3.43Å; Q152-S155 PolarHBondContact O-N 3.45Å; V153-S155 PolarHBondContact O-N 3.32Å; S155-K157 PolarHBondContact O-N 2.94Å; S155-T158 PolarHBondContact O-N 3.02Å; S155-H159 PolarHBondContact O-N 3.21Å
156	I	87.5	Confident	89.6	Confident	71 Å²	71	88.9 Å²	88.9	36%	0.364	47%	0.468	S	S	.	.	H	α-helix	trans	-61.8	-44.6	176.8	-66.1	168.3	0	0	0	110.6	Q152 V153 T158 H159 L160 I204	Q152-I156 HydrophobicContact CG-CD1 4.01Å; Q152-I156 WeakPolarHBondContact O-CG1 3.43Å; Q152-I156 PolarHBondContact O-N 2.86Å; V153-I156 PolarHBondContact O-N 3.47Å; I156-T158 PolarHBondContact O-N 3.42Å; I156-H159 PolarHBondContact O-N 3.2Å; I156-L160 HydrophobicContact CG2-CD1 4.09Å; I156-L160 HydrophobicContact CG2-CG 4.4Å; I156-L160 WeakPolarHBondContact O-CG 3.28Å; I156-L160 PolarHBondContact O-N 3.36Å; I156-I204 HydrophobicContact CG2-CD1 4.04Å
157	K	89.7	Confident	89.3	Confident	108 Å²	108	87 Å²	87	47%	0.47	46%	0.461	S	S	.	.	H	α-helix	trans	-56.6	-49.9	176.5	177.2	-175.4	166.8	-174.3	0	111.3	V153 N154 S155 H159 L160 E161	V153-K157 VanDerWaalsContact O-CB 3.3Å; V153-K157 WeakPolarHBondContact O-CB 3.33Å; V153-K157 PolarHBondContact O-N 3.35Å; N154-K157 PolarHBondContact O-N 3.19Å; S155-K157 PolarHBondContact O-N 2.94Å; K157-H159 VanDerWaalsContact C-N 3.29Å; K157-H159 PolarHBondContact O-N 3.48Å; K157-L160 PolarHBondContact O-N 3.33Å; K157-L160 VanDerWaalsContact O-N 3.16Å; K157-E161 WeakPolarHBondContact CE-OE1 3.37Å; K157-E161 HydrophobicContact CG-CG 4.4Å; K157-E161 IonicContact NZ-OE1 3.93Å; K157-E161 WeakPolarHBondContact O-CG 3.33Å; K157-E161 PolarHBondContact O-N 2.89Å
158	T	90.8	Very high	89.1	Confident	87 Å²	87	85.8 Å²	85.8	53%	0.534	46%	0.455	S	S	.	.	H	α-helix	trans	-60.4	-41.1	-179.3	-52.9	0	0	0	0	111.1	N154 S155 I156 E161 H162	N154-T158 WeakPolarHBondContact O-CB 3.29Å; N154-T158 PolarHBondContact O-N 3.14Å; N154-T158 PolarHBondContact O-OG1 2.68Å; S155-T158 PolarHBondContact O-N 3.02Å; I156-T158 PolarHBondContact O-N 3.42Å; T158-E161 PolarHBondContact O-N 2.83Å; T158-H162 PolarHBondContact O-N 3.04Å
159	H	88.5	Confident	89	Confident	114 Å²	114	90 Å²	90	53%	0.528	46%	0.463	S	S	.	.	H	α-helix	trans	-63.7	-43.3	175.9	179.2	69.4	0	0	0	112.5	S155 I156 K157 H162 R163	S155-H159 PolarHBondContact O-N 3.21Å; I156-H159 PolarHBondContact O-N 3.2Å; K157-H159 VanDerWaalsContact C-N 3.29Å; K157-H159 PolarHBondContact O-N 3.48Å; H159-H162 PolarHBondContact O-N 2.75Å; H159-R163 PolarHBondContact O-N 2.93Å
160	L	88.8	Confident	88.9	Confident	77 Å²	77	92.2 Å²	92.2	40%	0.403	48%	0.477	S	S	.	.	H	α-helix	trans	-65.8	-41.9	177.3	-71.8	174.8	0	0	0	112.5	I156 K157 H162 R163 S164 I204	I156-L160 HydrophobicContact CG2-CD1 4.09Å; I156-L160 HydrophobicContact CG2-CG 4.4Å; I156-L160 WeakPolarHBondContact O-CG 3.28Å; I156-L160 PolarHBondContact O-N 3.36Å; K157-L160 PolarHBondContact O-N 3.33Å; K157-L160 VanDerWaalsContact O-N 3.16Å; L160-H162 VanDerWaalsContact C-N 3.3Å; L160-H162 PolarHBondContact O-N 3.31Å; L160-R163 PolarHBondContact O-N 3.43Å; L160-S164 WeakPolarHBondContact O-CB 3.17Å; L160-S164 PolarHBondContact O-N 2.99Å; L160-I204 HydrophobicContact CD1-CD1 3.41Å; L160-I204 VanDerWaalsContact CD1-CD1 3.41Å; L160-I204 HydrophobicContact CD2-CD1 3.57Å; L160-I204 HydrophobicContact CG-CD1 3.84Å
161	E	91.7	Very high	88.7	Confident	96 Å²	96	92.8 Å²	92.8	45%	0.449	48%	0.476	S	S	.	.	H	α-helix	trans	-60.5	-42.4	175.6	-74.3	173.9	159.3	0	0	110.8	K157 T158 S164 L165	K157-E161 WeakPolarHBondContact CE-OE1 3.37Å; K157-E161 HydrophobicContact CG-CG 4.4Å; K157-E161 IonicContact NZ-OE1 3.93Å; K157-E161 WeakPolarHBondContact O-CG 3.33Å; K157-E161 PolarHBondContact O-N 2.89Å; T158-E161 PolarHBondContact O-N 2.83Å; E161-S164 PolarHBondContact O-N 2.84Å; E161-L165 WeakPolarHBondContact O-CG 3.43Å; E161-L165 PolarHBondContact O-N 3.09Å
162	H	90	Very high	88.7	Confident	105 Å²	105	93.7 Å²	93.7	49%	0.486	48%	0.477	S	S	.	.	H	α-helix	trans	-62.3	-50	174.8	-173.9	71.4	0	0	0	112.4	T158 H159 L160 S164 L165 E166	T158-H162 PolarHBondContact O-N 3.04Å; H159-H162 PolarHBondContact O-N 2.75Å; L160-H162 VanDerWaalsContact C-N 3.3Å; L160-H162 PolarHBondContact O-N 3.31Å; H162-S164 VanDerWaalsContact C-N 3.27Å; H162-S164 PolarHBondContact O-N 3.3Å; H162-L165 WeakPolarHBondContact O-CB 3.46Å; H162-L165 PolarHBondContact O-N 3Å; H162-L165 VanDerWaalsContact O-N 3.13Å; H162-E166 IonicContact CD2-OE2 3.55Å; H162-E166 IonicContact NE2-OE1 2.81Å; H162-E166 IonicContact NE2-OE2 2.7Å; H162-E166 PolarHBondContact O-N 2.84Å
163	R	85.2	Confident	88.6	Confident	58 Å²	58	90.7 Å²	90.7	22%	0.219	46%	0.463	C	S	.	.	H	α-helix	trans	-60.7	-37.8	176.2	-77.3	-159.3	88.2	171.9	6.3	111.9	H159 L160 L165 E166 M167 T199	H159-R163 PolarHBondContact O-N 2.93Å; L160-R163 PolarHBondContact O-N 3.43Å; R163-L165 VanDerWaalsContact C-N 3.31Å; R163-L165 PolarHBondContact O-N 3.21Å; R163-E166 PolarHBondContact O-N 2.97Å; R163-M167 WeakPolarHBondContact O-CB 3.26Å; R163-M167 VanDerWaalsContact O-CG 3.29Å; R163-M167 WeakPolarHBondContact O-CG 3.32Å; R163-M167 PolarHBondContact O-N 2.93Å; R163-T199 PolarHBondContact NH2-OG1 3.03Å
164	S	87.8	Confident	88.5	Confident	74 Å²	74	91.2 Å²	91.2	52%	0.517	46%	0.463	S	S	.	.	H	α-helix	trans	-61.7	-40.5	176.5	-170.2	0	0	0	0	111.4	L160 E161 H162 M167 E168	L160-S164 WeakPolarHBondContact O-CB 3.17Å; L160-S164 PolarHBondContact O-N 2.99Å; E161-S164 PolarHBondContact O-N 2.84Å; H162-S164 VanDerWaalsContact C-N 3.27Å; H162-S164 PolarHBondContact O-N 3.3Å; S164-M167 PolarHBondContact O-N 3.48Å; S164-E168 WeakPolarHBondContact O-CB 3.32Å; S164-E168 PolarHBondContact O-N 3.38Å
165	L	91.3	Very high	88.5	Confident	113 Å²	113	92.4 Å²	92.4	59%	0.592	47%	0.465	S	S	*	.	H	α-helix	trans	-67	-40.4	175.6	-73.2	166.9	0	0	0	112.2	E161 H162 R163 E168 K169	E161-L165 WeakPolarHBondContact O-CG 3.43Å; E161-L165 PolarHBondContact O-N 3.09Å; H162-L165 WeakPolarHBondContact O-CB 3.46Å; H162-L165 PolarHBondContact O-N 3Å; H162-L165 VanDerWaalsContact O-N 3.13Å; R163-L165 VanDerWaalsContact C-N 3.31Å; R163-L165 PolarHBondContact O-N 3.21Å; L165-E168 PolarHBondContact O-N 3.42Å; L165-K169 WeakPolarHBondContact O-CG 3.36Å; L165-K169 PolarHBondContact O-N 3.44Å; L165-K169 VanDerWaalsContact O-N 3.11Å
166	E	87.9	Confident	88.5	Confident	96 Å²	96	93.7 Å²	93.7	45%	0.449	46%	0.458	S	S	.	.	H	α-helix	trans	-63.8	-43.9	174.3	-68.7	-169.5	117.4	0	0	111.8	H162 R163 E168 K169 S170	H162-E166 IonicContact CD2-OE2 3.55Å; H162-E166 IonicContact NE2-OE1 2.81Å; H162-E166 IonicContact NE2-OE2 2.7Å; H162-E166 PolarHBondContact O-N 2.84Å; R163-E166 PolarHBondContact O-N 2.97Å; E166-E168 PolarHBondContact O-N 3.31Å; E166-K169 WeakPolarHBondContact O-CB 3.49Å; E166-K169 PolarHBondContact O-N 3.47Å; E166-S170 PolarHBondContact O-N 2.66Å; E166-S170 PolarHBondContact O-OG 3.11Å
167	M	85.6	Confident	88.6	Confident	85 Å²	85	90.6 Å²	90.6	42%	0.419	44%	0.442	S	S	.	.	H	α-helix	trans	-62.8	-40.5	176.1	-75	177.6	168.1	0	0	112	R163 S164 K169 S170 K171 S201	R163-M167 WeakPolarHBondContact O-CB 3.26Å; R163-M167 VanDerWaalsContact O-CG 3.29Å; R163-M167 WeakPolarHBondContact O-CG 3.32Å; R163-M167 PolarHBondContact O-N 2.93Å; S164-M167 PolarHBondContact O-N 3.48Å; M167-K169 VanDerWaalsContact C-N 3.33Å; M167-K169 PolarHBondContact O-N 3.22Å; M167-S170 PolarHBondContact O-N 3.48Å; M167-K171 WeakPolarHBondContact O-CB 3.15Å; M167-K171 PolarHBondContact O-N 3.19Å; M167-S201 WeakPolarHBondContact CE-OG 3.33Å
168	E	90.6	Very high	88.4	Confident	78 Å²	78	89.2 Å²	89.2	36%	0.364	45%	0.45	S	S	.	.	H	α-helix	trans	-64.7	-38.1	176.6	-167.2	62.4	-149.3	0	0	111.5	S164 L165 E166 K171 Q172	S164-E168 WeakPolarHBondContact O-CB 3.32Å; S164-E168 PolarHBondContact O-N 3.38Å; L165-E168 PolarHBondContact O-N 3.42Å; E166-E168 PolarHBondContact O-N 3.31Å; E168-K171 PolarHBondContact O-N 3.04Å; E168-K171 IonicContact OE1-NZ 3.89Å; E168-K171 PolarHBondContact OE1-NZ 3.29Å; E168-K171 IonicContact OE2-NZ 3.86Å; E168-Q172 WeakPolarHBondContact O-CG 3.42Å; E168-Q172 PolarHBondContact O-N 2.83Å
169	K	89.6	Confident	88.3	Confident	146 Å²	146	88.9 Å²	88.9	64%	0.635	46%	0.457	S	S	*	.	H	α-helix	trans	-63.4	-45.8	172.9	-71	173.8	-175.2	176.7	0	111.9	L165 E166 M167 K171 Q172 E173	L165-K169 WeakPolarHBondContact O-CG 3.36Å; L165-K169 PolarHBondContact O-N 3.44Å; L165-K169 VanDerWaalsContact O-N 3.11Å; E166-K169 WeakPolarHBondContact O-CB 3.49Å; E166-K169 PolarHBondContact O-N 3.47Å; M167-K169 VanDerWaalsContact C-N 3.33Å; M167-K169 PolarHBondContact O-N 3.22Å; K169-K171 VanDerWaalsContact C-N 3.29Å; K169-K171 PolarHBondContact O-N 3.09Å; K169-Q172 PolarHBondContact O-N 3.41Å; K169-E173 PolarHBondContact O-N 3.2Å
170	S	85.2	Confident	88.4	Confident	74 Å²	74	85.5 Å²	85.5	52%	0.517	44%	0.442	S	S	.	.	H	α-helix	trans	-61.9	-38.5	176.8	-65	0	0	0	0	111.8	E166 M167 E173 L174	E166-S170 PolarHBondContact O-N 2.66Å; E166-S170 PolarHBondContact O-OG 3.11Å; M167-S170 PolarHBondContact O-N 3.48Å; S170-E173 PolarHBondContact O-N 3.34Å; S170-L174 WeakPolarHBondContact O-CG 3.42Å; S170-L174 PolarHBondContact O-N 2.74Å
171	K	88.1	Confident	88.3	Confident	93 Å²	93	87.7 Å²	87.7	40%	0.404	46%	0.464	S	S	.	.	H	α-helix	trans	-62.6	-46.7	173.5	175.9	-172.7	153.8	-143.9	0	111.9	M167 E168 K169 E173 L174 E175	M167-K171 WeakPolarHBondContact O-CB 3.15Å; M167-K171 PolarHBondContact O-N 3.19Å; E168-K171 PolarHBondContact O-N 3.04Å; E168-K171 IonicContact OE1-NZ 3.89Å; E168-K171 PolarHBondContact OE1-NZ 3.29Å; E168-K171 IonicContact OE2-NZ 3.86Å; K169-K171 VanDerWaalsContact C-N 3.29Å; K169-K171 PolarHBondContact O-N 3.09Å; K171-E173 VanDerWaalsContact C-N 3.28Å; K171-E173 PolarHBondContact O-N 3.14Å; K171-L174 WeakPolarHBondContact O-CB 3.36Å; K171-L174 PolarHBondContact O-N 3.43Å; K171-E175 WeakPolarHBondContact CE-OE1 3.05Å; K171-E175 WeakPolarHBondContact O-CG 3.31Å; K171-E175 PolarHBondContact O-N 3.45Å
172	Q	90	Very high	88.3	Confident	107 Å²	107	86.8 Å²	86.8	50%	0.5	46%	0.462	S	S	.	.	H	α-helix	trans	-61.3	-37.6	177	-73.5	173.4	1.8	0	0	112.1	E168 K169 E175 R176	E168-Q172 WeakPolarHBondContact O-CG 3.42Å; E168-Q172 PolarHBondContact O-N 2.83Å; K169-Q172 PolarHBondContact O-N 3.41Å; Q172-E175 PolarHBondContact O-N 2.9Å; Q172-R176 WeakPolarHBondContact O-CB 3.25Å; Q172-R176 PolarHBondContact O-N 2.91Å
173	E	86.5	Confident	88.3	Confident	67 Å²	67	86.7 Å²	86.7	31%	0.313	47%	0.469	S	S	.	.	H	α-helix	trans	-67.4	-39.7	175.7	-175.5	58.9	-167.1	0	0	111.9	K169 S170 K171 R176 L177	K169-E173 PolarHBondContact O-N 3.2Å; S170-E173 PolarHBondContact O-N 3.34Å; K171-E173 VanDerWaalsContact C-N 3.28Å; K171-E173 PolarHBondContact O-N 3.14Å; E173-R176 PolarHBondContact O-N 3.27Å; E173-R176 IonicContact OE1-CZ 2.75Å; E173-R176 IonicContact OE1-NE 3.17Å; E173-R176 PolarHBondContact OE1-NE 2.81Å; E173-R176 VanDerWaalsContact OE1-NE 3.17Å; E173-R176 IonicContact OE1-NH2 3.4Å; E173-R176 PolarHBondContact OE1-NH2 2.89Å; E173-R176 IonicContact OE2-CZ 3.35Å; E173-R176 IonicContact OE2-NE 2.92Å; E173-R176 PolarHBondContact OE2-NE 3.17Å; E173-R176 IonicContact OE2-NH2 2.7Å; E173-L177 HydrophobicContact CG-CD1 4.31Å; E173-L177 WeakPolarHBondContact O-CB 3.49Å; E173-L177 VanDerWaalsContact O-CG 3.25Å; E173-L177 WeakPolarHBondContact O-CG 3.45Å; E173-L177 PolarHBondContact O-N 2.93Å
174	L	86.6	Confident	88.4	Confident	98 Å²	98	88.4 Å²	88.4	51%	0.513	49%	0.486	S	S	.	.	H	α-helix	trans	-60.9	-44.2	172	-75	168.3	0	0	0	112.1	S170 K171 L177 A178 L193	S170-L174 WeakPolarHBondContact O-CG 3.42Å; S170-L174 PolarHBondContact O-N 2.74Å; K171-L174 WeakPolarHBondContact O-CB 3.36Å; K171-L174 PolarHBondContact O-N 3.43Å; L174-L177 PolarHBondContact O-N 3.23Å; L174-A178 WeakPolarHBondContact O-CB 3.29Å; L174-A178 PolarHBondContact O-N 3.22Å; L174-L193 HydrophobicContact CD2-CD2 3.32Å; L174-L193 HydrophobicContact CG-CD2 4.14Å
175	E	88.9	Confident	88.5	Confident	112 Å²	112	89 Å²	89	52%	0.523	48%	0.483	S	S	.	.	H	α-helix	trans	-62.9	-42.2	175.9	-72.4	173.2	174.3	0	0	111.5	K171 Q172 A178 A179	K171-E175 WeakPolarHBondContact CE-OE1 3.05Å; K171-E175 WeakPolarHBondContact O-CG 3.31Å; K171-E175 PolarHBondContact O-N 3.45Å; Q172-E175 PolarHBondContact O-N 2.9Å; E175-A178 PolarHBondContact O-N 3.09Å; E175-A179 PolarHBondContact O-N 2.68Å; E175-A179 VanDerWaalsContact O-N 3.13Å
176	R	89.4	Confident	88.4	Confident	109 Å²	109	87 Å²	87	41%	0.411	47%	0.469	S	S	.	.	H	α-helix	trans	-60.2	-46.2	174.9	-172	-165.2	73.7	81.8	-4	111.4	Q172 E173 A179 E189	Q172-R176 WeakPolarHBondContact O-CB 3.25Å; Q172-R176 PolarHBondContact O-N 2.91Å; E173-R176 PolarHBondContact O-N 3.27Å; E173-R176 IonicContact OE1-CZ 2.75Å; E173-R176 IonicContact OE1-NE 3.17Å; E173-R176 PolarHBondContact OE1-NE 2.81Å; E173-R176 VanDerWaalsContact OE1-NE 3.17Å; E173-R176 IonicContact OE1-NH2 3.4Å; E173-R176 PolarHBondContact OE1-NH2 2.89Å; E173-R176 IonicContact OE2-CZ 3.35Å; E173-R176 IonicContact OE2-NE 2.92Å; E173-R176 PolarHBondContact OE2-NE 3.17Å; E173-R176 IonicContact OE2-NH2 2.7Å; R176-A179 PolarHBondContact O-N 3.1Å; R176-E189 IonicContact NH2-OE2 3.24Å; R176-E189 PolarHBondContact NH2-OE2 2.97Å
177	L	87.9	Confident	88.4	Confident	6 Å²	6	87 Å²	87	3%	0.031	47%	0.471	C	S	.	.	H	α-helix	trans	-62.9	-42.9	177.9	-72.9	167.5	0	0	0	111.7	E173 L174 A179 I180 F186 E189 L193	E173-L177 HydrophobicContact CG-CD1 4.31Å; E173-L177 WeakPolarHBondContact O-CB 3.49Å; E173-L177 VanDerWaalsContact O-CG 3.25Å; E173-L177 WeakPolarHBondContact O-CG 3.45Å; E173-L177 PolarHBondContact O-N 2.93Å; L174-L177 PolarHBondContact O-N 3.23Å; L177-A179 PolarHBondContact O-N 2.9Å; L177-I180 HydrophobicContact CD2-CD1 3.92Å; L177-I180 WeakPolarHBondContact O-CB 3.44Å; L177-I180 PolarHBondContact O-N 3.35Å; L177-F186 WeakPolarHBondContact O-CD2 3.33Å; L177-E189 HydrophobicContact CD2-CB 3.33Å; L177-E189 HydrophobicContact CD2-CG 4.3Å; L177-L193 HydrophobicContact CD1-CB 4.26Å; L177-L193 HydrophobicContact CD1-CD2 3.64Å; L177-L193 HydrophobicContact CD1-CG 4.39Å
178	A	86	Confident	88.5	Confident	78 Å²	78	88.1 Å²	88.1	65%	0.645	48%	0.476	S	S	*	.	H	α-helix	trans	-62.7	-25.8	176.8	0	0	0	0	0	113.2	L174 E175	L174-A178 WeakPolarHBondContact O-CB 3.29Å; L174-A178 PolarHBondContact O-N 3.22Å; E175-A178 PolarHBondContact O-N 3.09Å
179	A	89.5	Confident	88.3	Confident	81 Å²	81	86.8 Å²	86.8	67%	0.669	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-5.7	178.1	0	0	0	0	0	114.4	E175 R176 L177 S181	E175-A179 PolarHBondContact O-N 2.68Å; E175-A179 VanDerWaalsContact O-N 3.13Å; R176-A179 PolarHBondContact O-N 3.1Å; L177-A179 PolarHBondContact O-N 2.9Å; A179-S181 PolarHBondContact O-N 3.23Å
180	I	89.9	Confident	88.1	Confident	43 Å²	43	84.9 Å²	84.9	22%	0.221	46%	0.459	C	S	.	.			trans	-71.5	119.7	-179.9	-61.9	175.8	0	0	0	110.2	L177 L185 F186	L177-I180 HydrophobicContact CD2-CD1 3.92Å; L177-I180 WeakPolarHBondContact O-CB 3.44Å; L177-I180 PolarHBondContact O-N 3.35Å; I180-L185 HydrophobicContact CG2-CB 4.12Å; I180-F186 HydrophobicContact CB-CB 4.41Å; I180-F186 HydrophobicContact CG2-CB 4.14Å
181	S	87	Confident	88	Confident	123 Å²	123	85 Å²	85	86%	0.86	46%	0.459	S	S	*	.			trans	-83	-24.1	180	55.2	0	0	0	0	114.5	A179	A179-S181 PolarHBondContact O-N 3.23Å
182	N	91.6	Very high	87.7	Confident	77 Å²	77	86.6 Å²	86.6	41%	0.412	47%	0.466	S	S	.	.			trans	-82.6	117.2	179.6	-179.5	-59.2	0	0	0	110.9	V184 L185 F186	N182-V184 VanDerWaalsContact C-N 3.35Å; N182-V184 PolarHBondContact O-N 3.45Å; N182-V184 PolarHBondContact OD1-N 3.31Å; N182-L185 HydrophobicContact CB-CB 4.12Å; N182-L185 HydrophobicContact CB-CD1 3.93Å; N182-L185 PolarHBondContact O-N 3.01Å; N182-L185 PolarHBondContact OD1-N 3.33Å; N182-F186 WeakPolarHBondContact O-CB 3.47Å; N182-F186 PolarHBondContact O-N 3.45Å
183	T	88.8	Confident	87.2	Confident	103 Å²	103	84.2 Å²	84.2	63%	0.632	46%	0.456	S	S	*	.	H	α-helix	trans	-59.3	-38.3	-175.3	-45.6	0	0	0	0	114.1	L187	T183-L187 HydrophobicContact CG2-CD1 4.31Å; T183-L187 VanDerWaalsContact O-CG 3.3Å; T183-L187 WeakPolarHBondContact O-CG 3.48Å; T183-L187 PolarHBondContact O-N 3.16Å; T183-L187 VanDerWaalsContact O-N 3.15Å
184	V	88.7	Confident	86.6	Confident	94 Å²	94	87.1 Å²	87.1	57%	0.57	47%	0.468	S	S	*	.	H	α-helix	trans	-72	-48.1	-177.8	-179.4	0	0	0	0	110.1	N182 F186 L187 E188	N182-V184 VanDerWaalsContact C-N 3.35Å; N182-V184 PolarHBondContact O-N 3.45Å; N182-V184 PolarHBondContact OD1-N 3.31Å; V184-F186 VanDerWaalsContact C-N 3.32Å; V184-F186 PolarHBondContact O-N 2.91Å; V184-L187 PolarHBondContact O-N 3.32Å; V184-E188 WeakPolarHBondContact O-CG 3.42Å; V184-E188 PolarHBondContact O-N 3.05Å
185	L	88.6	Confident	85.7	Confident	87 Å²	87	91.3 Å²	91.3	46%	0.455	48%	0.482	S	S	.	.	H	α-helix	trans	-59.4	-41.8	176	-87.1	155.2	0	0	0	112	I180 N182 E188 E189	I180-L185 HydrophobicContact CG2-CB 4.12Å; N182-L185 HydrophobicContact CB-CB 4.12Å; N182-L185 HydrophobicContact CB-CD1 3.93Å; N182-L185 PolarHBondContact O-N 3.01Å; N182-L185 PolarHBondContact OD1-N 3.33Å; L185-E188 PolarHBondContact O-N 3.16Å; L185-E189 WeakPolarHBondContact O-CB 3.42Å; L185-E189 VanDerWaalsContact O-CG 3.27Å; L185-E189 WeakPolarHBondContact O-CG 3.38Å; L185-E189 PolarHBondContact O-N 2.89Å
186	F	90.8	Very high	84.4	Confident	71 Å²	71	91.5 Å²	91.5	31%	0.311	49%	0.491	S	S	.	.	H	α-helix	trans	-58.5	-49.1	175.3	171.7	-96.4	0	0	0	111.8	L177 I180 N182 V184 E188 E189 Y190	L177-F186 WeakPolarHBondContact O-CD2 3.33Å; I180-F186 HydrophobicContact CB-CB 4.41Å; I180-F186 HydrophobicContact CG2-CB 4.14Å; N182-F186 WeakPolarHBondContact O-CB 3.47Å; N182-F186 PolarHBondContact O-N 3.45Å; V184-F186 VanDerWaalsContact C-N 3.32Å; V184-F186 PolarHBondContact O-N 2.91Å; F186-E188 PolarHBondContact O-N 2.8Å; F186-E189 PolarHBondContact O-N 2.82Å; F186-Y190 WeakPolarHBondContact O-CB 3.35Å; F186-Y190 PolarHBondContact O-N 2.96Å
187	L	87.9	Confident	82.4	Confident	94 Å²	94	94.1 Å²	94.1	49%	0.492	51%	0.508	S	S	.	.	H	α-helix	trans	-65.5	-39.4	-178	-72.3	172.2	0	0	0	112.2	T183 V184 C191	T183-L187 HydrophobicContact CG2-CD1 4.31Å; T183-L187 VanDerWaalsContact O-CG 3.3Å; T183-L187 WeakPolarHBondContact O-CG 3.48Å; T183-L187 PolarHBondContact O-N 3.16Å; T183-L187 VanDerWaalsContact O-N 3.15Å; V184-L187 PolarHBondContact O-N 3.32Å; L187-C191 WeakPolarHBondContact O-CB 3.45Å; L187-C191 PolarHBondContact O-N 3.29Å; L187-C191 VanDerWaalsContact O-N 3.08Å; L187-C191 PolarHBondContact O-SG 3.14Å
188	E	87.4	Confident	80.6	Confident	110 Å²	110	100.6 Å²	100.6	51%	0.514	54%	0.543	S	S	.	.	H	α-helix	trans	-63.5	-48.5	176.4	-74	-176.8	163.2	0	0	111.7	V184 L185 F186 C191 K192	V184-E188 WeakPolarHBondContact O-CG 3.42Å; V184-E188 PolarHBondContact O-N 3.05Å; L185-E188 PolarHBondContact O-N 3.16Å; F186-E188 PolarHBondContact O-N 2.8Å; E188-C191 PolarHBondContact O-N 3.44Å; E188-K192 WeakPolarHBondContact O-CG 3.45Å; E188-K192 PolarHBondContact O-N 3.44Å
189	E	86	Confident	79.1	Confident	49 Å²	49	101.3 Å²	101.3	23%	0.229	54%	0.539	C	S	.	.	H	α-helix	trans	-70.9	-38.8	-177.7	-65.7	-73	110	0	0	112	R176 L177 L185 F186 C191 K192 L193	R176-E189 IonicContact NH2-OE2 3.24Å; R176-E189 PolarHBondContact NH2-OE2 2.97Å; L177-E189 HydrophobicContact CD2-CB 3.33Å; L177-E189 HydrophobicContact CD2-CG 4.3Å; L185-E189 WeakPolarHBondContact O-CB 3.42Å; L185-E189 VanDerWaalsContact O-CG 3.27Å; L185-E189 WeakPolarHBondContact O-CG 3.38Å; L185-E189 PolarHBondContact O-N 2.89Å; F186-E189 PolarHBondContact O-N 2.82Å; E189-C191 PolarHBondContact O-N 3.09Å; E189-K192 WeakPolarHBondContact O-CB 3.38Å; E189-K192 PolarHBondContact O-N 2.98Å; E189-K192 VanDerWaalsContact O-N 3.16Å; E189-K192 IonicContact OE1-NZ 3.28Å; E189-K192 PolarHBondContact OE1-NZ 3.08Å; E189-L193 PolarHBondContact O-N 2.94Å; E189-L193 VanDerWaalsContact O-N 3.16Å
190	Y	84.9	Confident	77.5	Confident	107 Å²	107	101.8 Å²	101.8	42%	0.42	54%	0.543	S	S	.	.	H	α-helix	trans	-60.7	-42.3	173.4	177.2	-99.3	0	0	0	112.3	F186 K192 L193 K194	F186-Y190 WeakPolarHBondContact O-CB 3.35Å; F186-Y190 PolarHBondContact O-N 2.96Å; Y190-K192 PolarHBondContact O-N 2.97Å; Y190-L193 PolarHBondContact O-N 2.93Å; Y190-K194 HydrophobicContact CE1-CD 4.33Å; Y190-K194 PolarHBondContact O-N 2.94Å; Y190-K194 VanDerWaalsContact O-N 3.08Å
191	C	83.3	Confident	75.8	Confident	75 Å²	75	103.8 Å²	103.8	51%	0.507	56%	0.56	S	S	.	*	H	α-helix	trans	-64.7	-27.2	177.2	-72.4	0	0	0	0	113.1	L187 E188 E189	L187-C191 WeakPolarHBondContact O-CB 3.45Å; L187-C191 PolarHBondContact O-N 3.29Å; L187-C191 VanDerWaalsContact O-N 3.08Å; L187-C191 PolarHBondContact O-SG 3.14Å; E188-C191 PolarHBondContact O-N 3.44Å; E189-C191 PolarHBondContact O-N 3.09Å
192	K	82.7	Confident	74.5	Confident	127 Å²	127	102.4 Å²	102.4	55%	0.552	55%	0.549	S	S	*	.	H	α-helix	trans	-71.5	-43.9	172.7	-67.9	172.4	-170	166.7	0	111	E188 E189 Y190	E188-K192 WeakPolarHBondContact O-CG 3.45Å; E188-K192 PolarHBondContact O-N 3.44Å; E189-K192 WeakPolarHBondContact O-CB 3.38Å; E189-K192 PolarHBondContact O-N 2.98Å; E189-K192 VanDerWaalsContact O-N 3.16Å; E189-K192 IonicContact OE1-NZ 3.28Å; E189-K192 PolarHBondContact OE1-NZ 3.08Å; Y190-K192 PolarHBondContact O-N 2.97Å
193	L	79.1	Confident	72.8	Confident	58 Å²	58	104.6 Å²	104.6	30%	0.304	57%	0.57	S	S	.	*	H	α-helix	trans	-67.9	-41.4	-176.8	-170.1	75.5	0	0	0	113.3	L174 L177 E189 Y190 K195 T196	L174-L193 HydrophobicContact CD2-CD2 3.32Å; L174-L193 HydrophobicContact CG-CD2 4.14Å; L177-L193 HydrophobicContact CD1-CB 4.26Å; L177-L193 HydrophobicContact CD1-CD2 3.64Å; L177-L193 HydrophobicContact CD1-CG 4.39Å; E189-L193 PolarHBondContact O-N 2.94Å; E189-L193 VanDerWaalsContact O-N 3.16Å; Y190-L193 PolarHBondContact O-N 2.93Å; L193-K195 PolarHBondContact O-N 2.97Å; L193-T196 PolarHBondContact O-N 3.15Å
194	K	73.3	Confident	71.7	Confident	128 Å²	128	103.9 Å²	103.9	56%	0.557	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-60.4	-17.5	-177.2	-170.2	173.6	179.9	179.5	0	113.8	Y190 T196	Y190-K194 HydrophobicContact CE1-CD 4.33Å; Y190-K194 PolarHBondContact O-N 2.94Å; Y190-K194 VanDerWaalsContact O-N 3.08Å; K194-T196 PolarHBondContact O-N 2.7Å
195	K	69	Low	70.7	Confident	186 Å²	186	108.7 Å²	108.7	81%	0.809	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-75.1	-5	175.4	-64.6	-178.1	-177.4	179.5	0	113.3	L193	L193-K195 PolarHBondContact O-N 2.97Å
196	T	60.8	Low	69.6	Low	116 Å²	116	111.8 Å²	111.8	71%	0.712	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-119	35	-174.1	-38	0	0	0	0	111.5	L193 K194	L193-T196 PolarHBondContact O-N 3.15Å; K194-T196 PolarHBondContact O-N 2.7Å
197	E	46.7	Very low	68.4	Low	164 Å²	164	110.3 Å²	110.3	77%	0.766	59%	0.591	S	S	*	*			trans	-97.9	93.8	176.8	-125.2	178.4	-172.8	0	0	110.3
198	D	50.6	Low	67.5	Low	142 Å²	142	110.7 Å²	110.7	76%	0.759	59%	0.593	S	S	*	*			trans	-155.9	116.7	151	-152.3	-4.7	0	0	0	110.5
199	T	55.4	Low	66.6	Low	93 Å²	93	114.1 Å²	114.1	57%	0.571	61%	0.606	S	S	*	*				170.9	126	118.5	30.9	0	0	0	0	111.7	R163	R163-T199 PolarHBondContact NH2-OG1 3.03Å
200	A	54	Low	66	Low	91 Å²	91	117.9 Å²	117.9	75%	0.752	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-57	140.6	166.1	0	0	0	0	0	111.4
201	S	55.1	Low	65.5	Low	84 Å²	84	120.6 Å²	120.6	59%	0.587	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-80.9	121.6	174.6	-64.6	0	0	0	0	109.9	M167	M167-S201 WeakPolarHBondContact CE-OG 3.33Å
202	P	59.1	Low	65.6	Low	94 Å²	94	121.3 Å²	121.3	61%	0.61	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-73	133.8	177.1	27.8	-30.6	0	0	0	110.6
203	S	55.7	Low	65.7	Low	123 Å²	123	117.7 Å²	117.7	86%	0.86	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-74.3	132.8	168	63.1	0	0	0	0	110.1
204	I	66.7	Low	66.1	Low	88 Å²	88	116.8 Å²	116.8	45%	0.451	64%	0.636	S	S	.	*	P	Polyproline II helix	trans	-98.7	127.4	-179	-62.2	172.8	0	0	0	110.1	I156 L160 I206	I156-I204 HydrophobicContact CG2-CD1 4.04Å; L160-I204 HydrophobicContact CD1-CD1 3.41Å; L160-I204 VanDerWaalsContact CD1-CD1 3.41Å; L160-I204 HydrophobicContact CD2-CD1 3.57Å; L160-I204 HydrophobicContact CG-CD1 3.84Å; I204-I206 HydrophobicContact CG2-CG1 4.48Å
205	Y	67.2	Low	66.9	Low	195 Å²	195	112.9 Å²	112.9	77%	0.765	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-100	134.2	172.8	176	-102.1	0	0	0	110.9
206	I	66.8	Low	68	Low	152 Å²	152	111.5 Å²	111.5	78%	0.779	61%	0.61	S	S	*	*			trans	-116	104	179.7	-55.1	172.5	0	0	0	108.9	I204	I204-I206 HydrophobicContact CG2-CG1 4.48Å
207	G	65.1	Low	69.6	Low	40 Å²	40	112.2 Å²	112.2	41%	0.412	60%	0.603	S	S	.	*			trans	-128.7	90	-178.7	0	0	0	0	0	113.3
208	L	67.9	Low	71.8	Confident	102 Å²	102	108.9 Å²	108.9	53%	0.534	59%	0.594	S	S	.	*			trans	-103.5	-29.3	178.6	-171.8	66.6	0	0	0	113.7	D210 K211 L212	L208-D210 PolarHBondContact O-N 2.63Å; L208-K211 PolarHBondContact O-N 3.16Å; L208-L212 HydrophobicContact CD2-CD1 4.43Å; L208-L212 HydrophobicContact CG-CD1 4.24Å
209	K	69.4	Low	73.9	Confident	183 Å²	183	105.3 Å²	105.3	80%	0.796	57%	0.574	S	S	*	*	H	α-helix	trans	-61.8	-39.3	-168.7	-82.9	-175.4	173	178.6	0	114.3	K211 L212 S213	K209-K211 VanDerWaalsContact C-N 3.35Å; K209-K211 PolarHBondContact O-N 2.71Å; K209-L212 PolarHBondContact O-N 2.65Å; K209-S213 PolarHBondContact O-N 2.9Å
210	D	72.3	Confident	75.8	Confident	127 Å²	127	104.2 Å²	104.2	68%	0.679	57%	0.567	S	S	*	*	H	α-helix	trans	-68	-36.5	-173.4	-58.8	-28.6	0	0	0	112.2	L208 S213 G214	L208-D210 PolarHBondContact O-N 2.63Å; D210-S213 WeakPolarHBondContact O-CB 3.42Å; D210-S213 PolarHBondContact O-N 2.99Å; D210-G214 PolarHBondContact O-N 2.96Å
211	K	75.6	Confident	77.7	Confident	164 Å²	164	103.3 Å²	103.3	71%	0.713	55%	0.55	S	S	*	.	H	α-helix	trans	-69.8	-37.6	-179.8	-64.4	-164.4	179	-175.8	0	112.3	L208 K209 S213 G214 I215	L208-K211 PolarHBondContact O-N 3.16Å; K209-K211 VanDerWaalsContact C-N 3.35Å; K209-K211 PolarHBondContact O-N 2.71Å; K211-S213 VanDerWaalsContact C-N 3.31Å; K211-S213 PolarHBondContact O-N 2.83Å; K211-G214 PolarHBondContact O-N 3.2Å; K211-I215 PolarHBondContact O-N 3.22Å
212	L	84.3	Confident	79.5	Confident	90 Å²	90	102.5 Å²	102.5	47%	0.471	54%	0.544	S	S	.	.	H	α-helix	trans	-67	-33.2	175.9	-67	177.5	0	0	0	112.1	L208 K209 G214 I215 R216	L208-L212 HydrophobicContact CD2-CD1 4.43Å; L208-L212 HydrophobicContact CG-CD1 4.24Å; K209-L212 PolarHBondContact O-N 2.65Å; L212-G214 VanDerWaalsContact C-N 3.3Å; L212-G214 PolarHBondContact O-N 2.89Å; L212-I215 HydrophobicContact CD2-CD1 4.39Å; L212-I215 PolarHBondContact O-N 2.72Å; L212-R216 WeakPolarHBondContact O-CB 3.29Å; L212-R216 PolarHBondContact O-N 3.07Å
213	S	85.1	Confident	81.2	Confident	52 Å²	52	101.3 Å²	101.3	36%	0.364	54%	0.535	S	S	.	.	H	α-helix	trans	-62.4	-39	174.2	-169.7	0	0	0	0	111.9	K209 D210 K211 R216 K217	K209-S213 PolarHBondContact O-N 2.9Å; D210-S213 WeakPolarHBondContact O-CB 3.42Å; D210-S213 PolarHBondContact O-N 2.99Å; K211-S213 VanDerWaalsContact C-N 3.31Å; K211-S213 PolarHBondContact O-N 2.83Å; S213-R216 PolarHBondContact OG-NH2 3.46Å; S213-K217 WeakPolarHBondContact O-CB 3.3Å; S213-K217 PolarHBondContact O-N 3.34Å
214	G	88	Confident	83	Confident	39 Å²	39	100.3 Å²	100.3	40%	0.402	52%	0.52	S	S	.	.	H	α-helix	trans	-61.6	-46.8	174.3	0	0	0	0	0	112.6	D210 K211 L212 K217 V218	D210-G214 PolarHBondContact O-N 2.96Å; K211-G214 PolarHBondContact O-N 3.2Å; L212-G214 VanDerWaalsContact C-N 3.3Å; L212-G214 PolarHBondContact O-N 2.89Å; G214-K217 WeakPolarHBondContact O-CB 3.38Å; G214-K217 PolarHBondContact O-N 3.29Å; G214-V218 WeakPolarHBondContact O-CG2 3.42Å; G214-V218 PolarHBondContact O-N 2.91Å; G214-V218 VanDerWaalsContact O-N 3.11Å
215	I	90	Very high	84.3	Confident	46 Å²	46	101.2 Å²	101.2	24%	0.236	53%	0.526	C	S	.	.	H	α-helix	trans	-62.3	-46.4	178.2	-63.6	167.6	0	0	0	110.8	F141 L142 K211 L212 K217 V218 I219	F141-I215 HydrophobicContact CE1-CD1 4.19Å; L142-I215 HydrophobicContact CD2-CG2 3.98Å; K211-I215 PolarHBondContact O-N 3.22Å; L212-I215 HydrophobicContact CD2-CD1 4.39Å; L212-I215 PolarHBondContact O-N 2.72Å; I215-K217 VanDerWaalsContact C-N 3.27Å; I215-K217 PolarHBondContact O-N 3.23Å; I215-V218 PolarHBondContact O-N 3.35Å; I215-I219 HydrophobicContact CG2-CD1 3.95Å; I215-I219 WeakPolarHBondContact O-CG1 3.47Å; I215-I219 PolarHBondContact O-N 3.04Å; I215-I219 VanDerWaalsContact O-N 3.08Å
216	R	92.7	Very high	85.4	Confident	157 Å²	157	96.3 Å²	96.3	59%	0.592	51%	0.512	S	S	*	.	H	α-helix	trans	-57.4	-41.7	176.9	-177.5	179.7	65	-134.9	-4.5	111.9	L212 S213 I219 T220	L212-R216 WeakPolarHBondContact O-CB 3.29Å; L212-R216 PolarHBondContact O-N 3.07Å; S213-R216 PolarHBondContact OG-NH2 3.46Å; R216-I219 PolarHBondContact O-N 3.34Å; R216-T220 PolarHBondContact O-N 2.8Å; R216-T220 PolarHBondContact O-OG1 3.18Å
217	K	93.3	Very high	86.6	Confident	131 Å²	131	92.9 Å²	92.9	57%	0.57	49%	0.494	S	S	*	.	H	α-helix	trans	-61.3	-48.9	178	-175.8	179.1	177.5	-176	0	111.2	S213 G214 I215 I219 T220 D221	S213-K217 WeakPolarHBondContact O-CB 3.3Å; S213-K217 PolarHBondContact O-N 3.34Å; G214-K217 WeakPolarHBondContact O-CB 3.38Å; G214-K217 PolarHBondContact O-N 3.29Å; I215-K217 VanDerWaalsContact C-N 3.27Å; I215-K217 PolarHBondContact O-N 3.23Å; K217-I219 VanDerWaalsContact C-N 3.31Å; K217-I219 PolarHBondContact O-N 2.91Å; K217-T220 PolarHBondContact O-N 2.82Å; K217-T220 VanDerWaalsContact O-N 3.14Å; K217-D221 WeakPolarHBondContact CE-OD2 3.47Å; K217-D221 WeakPolarHBondContact CG-OD2 3.25Å; K217-D221 WeakPolarHBondContact O-CB 3.37Å; K217-D221 PolarHBondContact O-N 3.12Å
218	V	93.7	Very high	87.9	Confident	93 Å²	93	97.3 Å²	97.3	56%	0.564	50%	0.504	S	S	*	.	H	α-helix	trans	-56.5	-46.6	178	174.4	0	0	0	0	111.1	G214 I215 T220 S222	G214-V218 WeakPolarHBondContact O-CG2 3.42Å; G214-V218 PolarHBondContact O-N 2.91Å; G214-V218 VanDerWaalsContact O-N 3.11Å; I215-V218 PolarHBondContact O-N 3.35Å; V218-T220 VanDerWaalsContact C-N 3.34Å; V218-T220 PolarHBondContact O-N 3.02Å; V218-S222 WeakPolarHBondContact O-CB 3.21Å; V218-S222 PolarHBondContact O-N 2.82Å; V218-S222 PolarHBondContact O-OG 2.83Å; V218-S222 VanDerWaalsContact O-OG 3.09Å
219	I	93.9	Very high	89	Confident	68 Å²	68	97.1 Å²	97.1	35%	0.349	50%	0.503	S	S	.	.	H	α-helix	trans	-59.7	-45.1	178	-64.3	167.2	0	0	0	111.2	V138 I215 R216 K217 T223	V138-I219 HydrophobicContact CG1-CD1 3.93Å; V138-I219 HydrophobicContact CG1-CG1 4.37Å; I215-I219 HydrophobicContact CG2-CD1 3.95Å; I215-I219 WeakPolarHBondContact O-CG1 3.47Å; I215-I219 PolarHBondContact O-N 3.04Å; I215-I219 VanDerWaalsContact O-N 3.08Å; R216-I219 PolarHBondContact O-N 3.34Å; K217-I219 VanDerWaalsContact C-N 3.31Å; K217-I219 PolarHBondContact O-N 2.91Å; I219-T223 WeakPolarHBondContact O-CB 3.44Å; I219-T223 PolarHBondContact O-N 3.03Å; I219-T223 VanDerWaalsContact O-N 3.07Å; I219-T223 PolarHBondContact O-OG1 3.4Å
220	T	95.1	Very high	90	Very high	70 Å²	70	91.7 Å²	91.7	43%	0.429	48%	0.483	S	S	.	.	H	α-helix	trans	-66.5	-49.8	-177.6	-52.1	0	0	0	0	111.4	R216 K217 V218 S222 T223 L224	R216-T220 PolarHBondContact O-N 2.8Å; R216-T220 PolarHBondContact O-OG1 3.18Å; K217-T220 PolarHBondContact O-N 2.82Å; K217-T220 VanDerWaalsContact O-N 3.14Å; V218-T220 VanDerWaalsContact C-N 3.34Å; V218-T220 PolarHBondContact O-N 3.02Å; T220-S222 PolarHBondContact O-N 2.89Å; T220-T223 PolarHBondContact O-N 3.48Å; T220-L224 HydrophobicContact CG2-CD1 4.29Å; T220-L224 PolarHBondContact O-N 3.45Å
221	D	95.2	Very high	90.8	Very high	72 Å²	72	92.1 Å²	92.1	39%	0.385	48%	0.48	S	S	.	.	H	α-helix	trans	-63.7	-42.9	-177.8	-67	-9	0	0	0	110.9	K217 T223 L224 N225	K217-D221 WeakPolarHBondContact CE-OD2 3.47Å; K217-D221 WeakPolarHBondContact CG-OD2 3.25Å; K217-D221 WeakPolarHBondContact O-CB 3.37Å; K217-D221 PolarHBondContact O-N 3.12Å; D221-T223 VanDerWaalsContact C-N 3.35Å; D221-T223 PolarHBondContact O-N 3.37Å; D221-L224 PolarHBondContact O-N 3.33Å; D221-N225 PolarHBondContact O-N 3.25Å; D221-N225 PolarHBondContact O-ND2 2.85Å
222	S	93.2	Very high	91.4	Very high	66 Å²	66	85.3 Å²	85.3	46%	0.462	45%	0.453	S	S	.	.	H	α-helix	trans	-63.7	-38.5	175.7	-66.2	0	0	0	0	112.7	V218 T220 L226	V218-S222 WeakPolarHBondContact O-CB 3.21Å; V218-S222 PolarHBondContact O-N 2.82Å; V218-S222 PolarHBondContact O-OG 2.83Å; V218-S222 VanDerWaalsContact O-OG 3.09Å; T220-S222 PolarHBondContact O-N 2.89Å; S222-L226 PolarHBondContact O-N 3.37Å
223	T	93.5	Very high	91.5	Very high	69 Å²	69	86.5 Å²	86.5	42%	0.423	45%	0.453	S	S	.	.	H	α-helix	trans	-66.6	-44	178.7	-57.9	0	0	0	0	111.5	I219 T220 D221 N225 L226 I227	I219-T223 WeakPolarHBondContact O-CB 3.44Å; I219-T223 PolarHBondContact O-N 3.03Å; I219-T223 VanDerWaalsContact O-N 3.07Å; I219-T223 PolarHBondContact O-OG1 3.4Å; T220-T223 PolarHBondContact O-N 3.48Å; D221-T223 VanDerWaalsContact C-N 3.35Å; D221-T223 PolarHBondContact O-N 3.37Å; T223-N225 VanDerWaalsContact C-N 3.34Å; T223-N225 PolarHBondContact O-N 3.11Å; T223-L226 PolarHBondContact O-N 3.21Å; T223-I227 HydrophobicContact CG2-CD1 4.1Å; T223-I227 WeakPolarHBondContact O-CG1 3.4Å; T223-I227 PolarHBondContact O-N 3.09Å
224	L	94.4	Very high	91.5	Very high	102 Å²	102	90.9 Å²	90.9	53%	0.534	47%	0.465	S	S	.	.	H	α-helix	trans	-60.1	-43.5	178.3	-75.8	170.4	0	0	0	112	T220 D221 L226 I227 Q228	T220-L224 HydrophobicContact CG2-CD1 4.29Å; T220-L224 PolarHBondContact O-N 3.45Å; D221-L224 PolarHBondContact O-N 3.33Å; L224-L226 VanDerWaalsContact C-N 3.31Å; L224-L226 PolarHBondContact O-N 3.14Å; L224-I227 PolarHBondContact O-N 2.99Å; L224-Q228 PolarHBondContact O-N 2.88Å
225	N	92.9	Very high	91.4	Very high	108 Å²	108	95.4 Å²	95.4	58%	0.578	48%	0.476	S	S	*	.	H	α-helix	trans	-61.4	-38.5	177.5	-71.9	-31.4	0	0	0	112.6	D221 T223 L229	D221-N225 PolarHBondContact O-N 3.25Å; D221-N225 PolarHBondContact O-ND2 2.85Å; T223-N225 VanDerWaalsContact C-N 3.34Å; T223-N225 PolarHBondContact O-N 3.11Å; N225-L229 PolarHBondContact O-N 2.89Å; N225-L229 VanDerWaalsContact O-N 3.13Å
226	L	92	Very high	91.3	Very high	91 Å²	91	98.7 Å²	98.7	48%	0.476	49%	0.488	S	S	.	.	H	α-helix	trans	-66.9	-44.3	176.5	-74.8	170.4	0	0	0	111.7	S222 T223 L224 Q228 L229 L230	S222-L226 PolarHBondContact O-N 3.37Å; T223-L226 PolarHBondContact O-N 3.21Å; L224-L226 VanDerWaalsContact C-N 3.31Å; L224-L226 PolarHBondContact O-N 3.14Å; L226-Q228 VanDerWaalsContact C-N 3.33Å; L226-Q228 PolarHBondContact O-N 3.37Å; L226-L229 PolarHBondContact O-N 3.22Å; L226-L230 VanDerWaalsContact O-CG 3.3Å; L226-L230 WeakPolarHBondContact O-CG 3.29Å; L226-L230 PolarHBondContact O-N 3.16Å
227	I	91.8	Very high	90.9	Very high	81 Å²	81	96.8 Å²	96.8	42%	0.415	49%	0.489	S	S	.	.	H	α-helix	trans	-58.1	-48.4	177.9	-68.6	170.4	0	0	0	110.2	T223 L224 L229 L230 E231	T223-I227 HydrophobicContact CG2-CD1 4.1Å; T223-I227 WeakPolarHBondContact O-CG1 3.4Å; T223-I227 PolarHBondContact O-N 3.09Å; L224-I227 PolarHBondContact O-N 2.99Å; I227-L229 VanDerWaalsContact C-N 3.3Å; I227-L229 PolarHBondContact O-N 2.81Å; I227-L230 PolarHBondContact O-N 2.88Å; I227-E231 HydrophobicContact CG2-CG 4.44Å; I227-E231 WeakPolarHBondContact O-CG 3.47Å; I227-E231 PolarHBondContact O-N 3.1Å
228	Q	91.3	Very high	90.3	Very high	133 Å²	133	94.9 Å²	94.9	62%	0.621	48%	0.483	S	S	*	.	H	α-helix	trans	-61.1	-38.5	179.9	-168.6	176.8	9	0	0	112.3	L224 L226 L230 E231 S232	L224-Q228 PolarHBondContact O-N 2.88Å; L226-Q228 VanDerWaalsContact C-N 3.33Å; L226-Q228 PolarHBondContact O-N 3.37Å; Q228-L230 VanDerWaalsContact C-N 3.33Å; Q228-L230 PolarHBondContact O-N 3.23Å; Q228-E231 PolarHBondContact O-N 2.84Å; Q228-S232 PolarHBondContact O-N 2.73Å
229	L	90.8	Very high	89.8	Confident	97 Å²	97	96.7 Å²	96.7	51%	0.508	49%	0.485	S	S	.	.	H	α-helix	trans	-63.7	-39.7	175.4	-177	64.3	0	0	0	111.8	N225 L226 I227 S232	N225-L229 PolarHBondContact O-N 2.89Å; N225-L229 VanDerWaalsContact O-N 3.13Å; L226-L229 PolarHBondContact O-N 3.22Å; I227-L229 VanDerWaalsContact C-N 3.3Å; I227-L229 PolarHBondContact O-N 2.81Å; L229-S232 WeakPolarHBondContact O-CB 3.2Å; L229-S232 PolarHBondContact O-N 2.83Å; L229-S232 PolarHBondContact O-OG 2.99Å
230	L	90.7	Very high	89	Confident	70 Å²	70	98.2 Å²	98.2	37%	0.366	49%	0.489	S	S	.	.	H	α-helix	trans	-70.3	-37.8	179.7	-65	173.6	0	0	0	112.4	L127 L226 I227 Q228 S232 Y233	L127-L230 HydrophobicContact CD2-CD1 4.29Å; L127-L230 HydrophobicContact CD2-CD2 3.35Å; L127-L230 HydrophobicContact CD2-CG 4.45Å; L226-L230 VanDerWaalsContact O-CG 3.3Å; L226-L230 WeakPolarHBondContact O-CG 3.29Å; L226-L230 PolarHBondContact O-N 3.16Å; I227-L230 PolarHBondContact O-N 2.88Å; Q228-L230 VanDerWaalsContact C-N 3.33Å; Q228-L230 PolarHBondContact O-N 3.23Å; L230-S232 PolarHBondContact O-N 2.81Å; L230-Y233 HydrophobicContact CD2-CE2 4.43Å; L230-Y233 PolarHBondContact O-N 2.82Å
231	E	88.3	Confident	87.9	Confident	135 Å²	135	96.8 Å²	96.8	63%	0.631	48%	0.482	S	S	*	.	H	α-helix	trans	-60.6	-31.5	174.7	-71.4	176.5	161.3	0	0	111.8	I227 Q228 Y233	I227-E231 HydrophobicContact CG2-CG 4.44Å; I227-E231 WeakPolarHBondContact O-CG 3.47Å; I227-E231 PolarHBondContact O-N 3.1Å; Q228-E231 PolarHBondContact O-N 2.84Å; E231-Y233 PolarHBondContact O-N 2.97Å
232	S	90.1	Very high	86.6	Confident	21 Å²	21	103.1 Å²	103.1	15%	0.147	50%	0.5	C	S	.	.	H	α-helix	trans	-66.2	-16.4	179.2	81.3	0	0	0	0	115.1	Q228 L229 L230 K234 E235 K236	Q228-S232 PolarHBondContact O-N 2.73Å; L229-S232 WeakPolarHBondContact O-CB 3.2Å; L229-S232 PolarHBondContact O-N 2.83Å; L229-S232 PolarHBondContact O-OG 2.99Å; L230-S232 PolarHBondContact O-N 2.81Å; S232-K234 PolarHBondContact O-N 3.39Å; S232-E235 PolarHBondContact O-N 2.97Å; S232-K236 WeakPolarHBondContact O-CB 3.46Å; S232-K236 WeakPolarHBondContact O-CG 3.25Å; S232-K236 PolarHBondContact O-N 2.82Å; S232-K236 PolarHBondContact OG-NZ 2.9Å; S232-K236 VanDerWaalsContact OG-NZ 3.09Å
233	Y	86.4	Confident	85.2	Confident	116 Å²	116	105.2 Å²	105.2	46%	0.455	50%	0.503	S	S	.	.	H	α-helix	trans	-60.4	-45.4	-177.2	-92.3	-114.4	0	0	0	112.1	F124 L230 E231 K236 L237	F124-Y233 HydrophobicContact CZ-CD1 4.02Å; F124-Y233 HydrophobicContact CZ-CE1 4.24Å; L230-Y233 HydrophobicContact CD2-CE2 4.43Å; L230-Y233 PolarHBondContact O-N 2.82Å; E231-Y233 PolarHBondContact O-N 2.97Å; Y233-K236 PolarHBondContact O-N 2.88Å; Y233-L237 WeakPolarHBondContact O-CG 3.45Å; Y233-L237 PolarHBondContact O-N 2.84Å
234	K	84.1	Confident	83.4	Confident	144 Å²	144	108.5 Å²	108.5	63%	0.626	51%	0.514	S	S	*	.	H	α-helix	trans	-65.2	-43.4	-177.8	-176.2	178.5	177.3	-176.5	0	111.1	S232 L237 Q238	S232-K234 PolarHBondContact O-N 3.39Å; K234-L237 PolarHBondContact O-N 3.01Å; K234-Q238 WeakPolarHBondContact O-CB 3.19Å; K234-Q238 VanDerWaalsContact O-CG 3.28Å; K234-Q238 WeakPolarHBondContact O-CG 3.22Å; K234-Q238 PolarHBondContact O-N 2.8Å
235	E	86.3	Confident	81.7	Confident	133 Å²	133	111 Å²	111	62%	0.621	52%	0.522	S	S	*	.	H	α-helix	trans	-62.9	-44.7	179	-65.6	179.9	166	0	0	111.2	S232 L237 Q238 E239	S232-E235 PolarHBondContact O-N 2.97Å; E235-L237 PolarHBondContact O-N 3.11Å; E235-Q238 WeakPolarHBondContact O-CB 3.38Å; E235-Q238 PolarHBondContact O-N 2.79Å; E235-E239 WeakPolarHBondContact O-CB 3.14Å; E235-E239 PolarHBondContact O-N 3.16Å
236	K	86.8	Confident	79.9	Confident	115 Å²	115	110.8 Å²	110.8	50%	0.5	51%	0.514	S	S	.	.	H	α-helix	trans	-62.9	-41.7	176.6	-72.9	171.5	-179.6	162.3	0	112.7	S232 Y233 Q238 E239 F240	S232-K236 WeakPolarHBondContact O-CB 3.46Å; S232-K236 WeakPolarHBondContact O-CG 3.25Å; S232-K236 PolarHBondContact O-N 2.82Å; S232-K236 PolarHBondContact OG-NZ 2.9Å; S232-K236 VanDerWaalsContact OG-NZ 3.09Å; Y233-K236 PolarHBondContact O-N 2.88Å; K236-Q238 VanDerWaalsContact C-N 3.33Å; K236-E239 PolarHBondContact O-N 3.35Å; K236-F240 VanDerWaalsContact O-CB 3.31Å; K236-F240 WeakPolarHBondContact O-CB 3.5Å; K236-F240 PolarHBondContact O-N 2.82Å
237	L	85.1	Confident	78.5	Confident	117 Å²	117	109.1 Å²	109.1	61%	0.613	51%	0.506	S	S	*	.	H	α-helix	trans	-64.9	-39.2	175.3	-72.4	172.4	0	0	0	111.6	Y233 K234 E235 F240 S241	Y233-L237 WeakPolarHBondContact O-CG 3.45Å; Y233-L237 PolarHBondContact O-N 2.84Å; K234-L237 PolarHBondContact O-N 3.01Å; E235-L237 PolarHBondContact O-N 3.11Å; L237-F240 PolarHBondContact O-N 2.73Å; L237-S241 WeakPolarHBondContact O-CB 3.26Å; L237-S241 PolarHBondContact O-N 2.84Å; L237-S241 PolarHBondContact O-OG 2.79Å
238	Q	80.7	Confident	77.4	Confident	92 Å²	92	111.1 Å²	111.1	43%	0.43	52%	0.516	S	S	.	.	H	α-helix	trans	-66.1	-42.6	175.7	-75.1	176.8	-32.1	0	0	111.8	K234 E235 K236 S241 R242	K234-Q238 WeakPolarHBondContact O-CB 3.19Å; K234-Q238 VanDerWaalsContact O-CG 3.28Å; K234-Q238 WeakPolarHBondContact O-CG 3.22Å; K234-Q238 PolarHBondContact O-N 2.8Å; E235-Q238 WeakPolarHBondContact O-CB 3.38Å; E235-Q238 PolarHBondContact O-N 2.79Å; K236-Q238 VanDerWaalsContact C-N 3.33Å; Q238-S241 WeakPolarHBondContact CA-OG 3.41Å; Q238-S241 PolarHBondContact O-N 2.85Å; Q238-S241 PolarHBondContact O-OG 3.5Å; Q238-R242 WeakPolarHBondContact O-CG 3.48Å; Q238-R242 PolarHBondContact O-N 3.4Å
239	E	82.6	Confident	76.2	Confident	130 Å²	130	113 Å²	113	61%	0.607	52%	0.518	S	S	*	.	H	α-helix	trans	-60.9	-47.6	174.3	-174.8	174.1	-155.5	0	0	111.2	E235 K236 S241 R242	E235-E239 WeakPolarHBondContact O-CB 3.14Å; E235-E239 PolarHBondContact O-N 3.16Å; K236-E239 PolarHBondContact O-N 3.35Å; E239-S241 VanDerWaalsContact C-N 3.3Å; E239-S241 PolarHBondContact O-N 3.3Å; E239-R242 WeakPolarHBondContact O-CB 3.3Å; E239-R242 PolarHBondContact O-N 2.83Å
240	F	77	Confident	75	Confident	100 Å²	100	111.7 Å²	111.7	44%	0.439	51%	0.514	S	S	.	.	H	α-helix	trans	-59.9	-39	176.5	-167.5	-104.6	0	0	0	112.3	K236 L237 R242 E243 Y246	K236-F240 VanDerWaalsContact O-CB 3.31Å; K236-F240 WeakPolarHBondContact O-CB 3.5Å; K236-F240 PolarHBondContact O-N 2.82Å; L237-F240 PolarHBondContact O-N 2.73Å; F240-R242 VanDerWaalsContact C-N 3.27Å; F240-R242 PolarHBondContact O-N 3.32Å; F240-E243 WeakPolarHBondContact O-CB 3.46Å; F240-E243 PolarHBondContact O-N 3.03Å; F240-Y246 HydrophobicContact CD1-CD2 4.31Å; F240-Y246 HydrophobicContact CD1-CG 4.02Å; F240-Y246 HydrophobicContact CD2-CD2 4.35Å; F240-Y246 VanDerWaalsContact CE1-CB 3.41Å; F240-Y246 AromaticContact CE1-CD1 3.6Å; F240-Y246 HydrophobicContact CE1-CD1 3.6Å; F240-Y246 AromaticContact CE1-CD2 3.81Å; F240-Y246 HydrophobicContact CE1-CD2 3.81Å; F240-Y246 HydrophobicContact CE1-CE1 4.31Å; F240-Y246 AromaticContact CE1-CG 3.31Å; F240-Y246 HydrophobicContact CE1-CG 3.31Å; F240-Y246 AromaticContact CE2-CD2 3.84Å; F240-Y246 HydrophobicContact CE2-CD2 3.84Å; F240-Y246 AromaticContact CE2-CE2 3.9Å; F240-Y246 HydrophobicContact CE2-CE2 3.9Å; F240-Y246 HydrophobicContact CE2-CG 4.17Å; F240-Y246 AromaticContact CZ-CD1 3.5Å; F240-Y246 HydrophobicContact CZ-CD1 3.5Å; F240-Y246 VanDerWaalsContact CZ-CD1 3.5Å; F240-Y246 AromaticContact CZ-CD2 3.54Å; F240-Y246 HydrophobicContact CZ-CD2 3.54Å; F240-Y246 AromaticContact CZ-CE1 3.73Å; F240-Y246 HydrophobicContact CZ-CE1 3.73Å; F240-Y246 AromaticContact CZ-CE2 3.8Å; F240-Y246 HydrophobicContact CZ-CE2 3.8Å; F240-Y246 AromaticContact CZ-CG 3.4Å; F240-Y246 HydrophobicContact CZ-CG 3.4Å; F240-Y246 AromaticContact CZ-CZ 3.88Å
241	S	72.4	Confident	73.7	Confident	41 Å²	41	116.1 Å²	116.1	29%	0.287	53%	0.533	S	S	.	.	H	α-helix	trans	-70	-18.7	176.4	71.6	0	0	0	0	114.5	L237 Q238 E239 E243	L237-S241 WeakPolarHBondContact O-CB 3.26Å; L237-S241 PolarHBondContact O-N 2.84Å; L237-S241 PolarHBondContact O-OG 2.79Å; Q238-S241 WeakPolarHBondContact CA-OG 3.41Å; Q238-S241 PolarHBondContact O-N 2.85Å; Q238-S241 PolarHBondContact O-OG 3.5Å; E239-S241 VanDerWaalsContact C-N 3.3Å; E239-S241 PolarHBondContact O-N 3.3Å; S241-E243 VanDerWaalsContact C-N 3.28Å
242	R	68.5	Low	72.3	Confident	204 Å²	204	113 Å²	113	77%	0.77	52%	0.522	S	S	*	.	H	α-helix	trans	-74.1	-23.7	175.6	-72.3	172.5	-176.1	177.6	2.4	111.9	Q238 E239 F240 E244	Q238-R242 WeakPolarHBondContact O-CG 3.48Å; Q238-R242 PolarHBondContact O-N 3.4Å; E239-R242 WeakPolarHBondContact O-CB 3.3Å; E239-R242 PolarHBondContact O-N 2.83Å; F240-R242 VanDerWaalsContact C-N 3.27Å; F240-R242 PolarHBondContact O-N 3.32Å; R242-E244 PolarHBondContact O-N 2.87Å
243	E	64.5	Low	70.6	Confident	110 Å²	110	116.3 Å²	116.3	51%	0.514	55%	0.545	S	S	.	.	S	Bend	trans	-69.4	111.9	168.1	-65	-177.8	177.3	0	0	107.5	F240 S241 E245 Y246	F240-E243 WeakPolarHBondContact O-CB 3.46Å; F240-E243 PolarHBondContact O-N 3.03Å; S241-E243 VanDerWaalsContact C-N 3.28Å; E243-E245 PolarHBondContact O-N 2.84Å; E243-Y246 HydrophobicContact CB-CD2 3.88Å; E243-Y246 HydrophobicContact CB-CE2 4.29Å; E243-Y246 PolarHBondContact O-N 3.35Å; E243-Y246 WeakPolarHBondContact OE2-CE2 3.38Å
244	E	54.1	Low	68.8	Low	139 Å²	139	111.3 Å²	111.3	65%	0.65	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-17.5	-169.5	-71.2	-176.7	167.3	0	0	114.2	R242 K430	R242-E244 PolarHBondContact O-N 2.87Å; E244-K430 IonicContact OE1-NZ 3.68Å; E244-K430 PolarHBondContact OE1-NZ 2.96Å
245	E	58.8	Low	67.2	Low	153 Å²	153	112.6 Å²	112.6	72%	0.715	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-23.4	178.3	-170.1	166.8	-164.7	0	0	113.7	E243	E243-E245 PolarHBondContact O-N 2.84Å
246	Y	56.5	Low	65.3	Low	105 Å²	105	108.1 Å²	108.1	41%	0.412	52%	0.522	S	S	.	.	S	Bend	trans	-118.7	1.5	-169.2	-52.4	-70.8	0	0	0	115	F240 E243	F240-Y246 HydrophobicContact CD1-CD2 4.31Å; F240-Y246 HydrophobicContact CD1-CG 4.02Å; F240-Y246 HydrophobicContact CD2-CD2 4.35Å; F240-Y246 VanDerWaalsContact CE1-CB 3.41Å; F240-Y246 AromaticContact CE1-CD1 3.6Å; F240-Y246 HydrophobicContact CE1-CD1 3.6Å; F240-Y246 AromaticContact CE1-CD2 3.81Å; F240-Y246 HydrophobicContact CE1-CD2 3.81Å; F240-Y246 HydrophobicContact CE1-CE1 4.31Å; F240-Y246 AromaticContact CE1-CG 3.31Å; F240-Y246 HydrophobicContact CE1-CG 3.31Å; F240-Y246 AromaticContact CE2-CD2 3.84Å; F240-Y246 HydrophobicContact CE2-CD2 3.84Å; F240-Y246 AromaticContact CE2-CE2 3.9Å; F240-Y246 HydrophobicContact CE2-CE2 3.9Å; F240-Y246 HydrophobicContact CE2-CG 4.17Å; F240-Y246 AromaticContact CZ-CD1 3.5Å; F240-Y246 HydrophobicContact CZ-CD1 3.5Å; F240-Y246 VanDerWaalsContact CZ-CD1 3.5Å; F240-Y246 AromaticContact CZ-CD2 3.54Å; F240-Y246 HydrophobicContact CZ-CD2 3.54Å; F240-Y246 AromaticContact CZ-CE1 3.73Å; F240-Y246 HydrophobicContact CZ-CE1 3.73Å; F240-Y246 AromaticContact CZ-CE2 3.8Å; F240-Y246 HydrophobicContact CZ-CE2 3.8Å; F240-Y246 AromaticContact CZ-CG 3.4Å; F240-Y246 HydrophobicContact CZ-CG 3.4Å; F240-Y246 AromaticContact CZ-CZ 3.88Å; E243-Y246 HydrophobicContact CB-CD2 3.88Å; E243-Y246 HydrophobicContact CB-CE2 4.29Å; E243-Y246 PolarHBondContact O-N 3.35Å; E243-Y246 WeakPolarHBondContact OE2-CE2 3.38Å
247	D	61.3	Low	63.3	Low	56 Å²	56	109.3 Å²	109.3	30%	0.299	53%	0.529	S	S	.	.	S	Bend	trans	-71.2	144.2	173.8	-159.6	0.2	0	0	0	110.9	R249	D247-R249 HydrophobicContact CB-CG 4.14Å; D247-R249 PolarHBondContact O-N 2.92Å; D247-R249 IonicContact OD2-CZ 3.36Å; D247-R249 IonicContact OD2-NE 3.71Å; D247-R249 PolarHBondContact OD2-NE 3.43Å; D247-R249 IonicContact OD2-NH2 3.97Å; D247-R249 PolarHBondContact OD2-NH2 3.44Å
248	I	69.3	Low	61.2	Low	122 Å²	122	114.5 Å²	114.5	63%	0.626	54%	0.541	S	S	*	.			trans	-78.5	78.9	179.3	-54.9	170.8	0	0	0	107.9	V109 V113	V109-I248 HydrophobicContact CG1-CG2 3.87Å; V113-I248 HydrophobicContact CG2-CD1 4.01Å; V113-I248 HydrophobicContact CG2-CG2 4.44Å
249	R	65.2	Low	59.5	Low	173 Å²	173	117.9 Å²	117.9	65%	0.653	55%	0.554	S	S	*	*			trans	-126.4	138.3	178.9	-63.3	-172.2	-172.6	172.1	12.1	111.4	D247 Q251	D247-R249 HydrophobicContact CB-CG 4.14Å; D247-R249 PolarHBondContact O-N 2.92Å; D247-R249 IonicContact OD2-CZ 3.36Å; D247-R249 IonicContact OD2-NE 3.71Å; D247-R249 PolarHBondContact OD2-NE 3.43Å; D247-R249 IonicContact OD2-NH2 3.97Å; D247-R249 PolarHBondContact OD2-NH2 3.44Å; R249-Q251 PolarHBondContact O-N 3.4Å; R249-Q251 VanDerWaalsContact O-N 3.14Å
250	T	67	Low	57.6	Low	70 Å²	70	119.7 Å²	119.7	43%	0.429	56%	0.556	S	S	.	*			trans	-74	104.6	167	-53.9	0	0	0	0	108.3	L102 N105 V252	L102-T250 HydrophobicContact CD2-CG2 4Å; N105-T250 WeakPolarHBondContact OD1-CG2 3.3Å; N105-T250 PolarHBondContact OD1-OG1 2.88Å; N105-T250 VanDerWaalsContact OD1-OG1 3.14Å; T250-V252 HydrophobicContact CG2-CG2 3.87Å; T250-V252 PolarHBondContact O-N 3.14Å; T250-V252 VanDerWaalsContact O-N 3.08Å
251	Q	62.2	Low	56.1	Low	163 Å²	163	120.4 Å²	120.4	76%	0.762	56%	0.556	S	S	*	*			trans	-72	102.5	172.8	-68.4	-173.7	3.8	0	0	109.6	R249	R249-Q251 PolarHBondContact O-N 3.4Å; R249-Q251 VanDerWaalsContact O-N 3.14Å
252	V	58.7	Low	55.1	Low	69 Å²	69	124.1 Å²	124.1	42%	0.418	58%	0.577	S	S	.	*			trans	-98.8	99.5	172.4	-169.3	0	0	0	0	108.7	L102 T250 Y330	L102-V252 HydrophobicContact CD2-CG2 4.11Å; T250-V252 HydrophobicContact CG2-CG2 3.87Å; T250-V252 PolarHBondContact O-N 3.14Å; T250-V252 VanDerWaalsContact O-N 3.08Å; V252-Y330 WeakPolarHBondContact CG1-OH 3.46Å
253	S	55.6	Low	54.5	Low	90 Å²	90	118.4 Å²	118.4	63%	0.629	57%	0.568	S	S	*	*			trans	-89.9	126.2	172.6	-69.9	0	0	0	0	109.9	I255	S253-I255 PolarHBondContact O-N 2.88Å
254	A	48	Very low	54.9	Low	11 Å²	11	118.3 Å²	118.3	9%	0.091	57%	0.566	C	S	.	*			trans	-60.5	107	167.3	0	0	0	0	0	109.5	V256 L331	A254-V256 HydrophobicContact CB-CB 4.4Å; A254-V256 HydrophobicContact CB-CG2 3.58Å; A254-V256 PolarHBondContact O-N 2.95Å; A254-L331 HydrophobicContact CB-CB 4.48Å; A254-L331 HydrophobicContact CB-CD1 3.94Å; A254-L331 HydrophobicContact CB-CD2 3.27Å; A254-L331 HydrophobicContact CB-CG 4.05Å
255	I	50	Low	56.4	Low	171 Å²	171	116.7 Å²	116.7	88%	0.877	57%	0.568	S	S	*	*			trans	-79.2	60.9	160.9	-49.5	175.3	0	0	0	107	S253	S253-I255 PolarHBondContact O-N 2.88Å
256	V	47.5	Very low	57.8	Low	39 Å²	39	113 Å²	113	24%	0.236	55%	0.551	C	S	.	*			trans	-77.6	127.6	168.6	174.9	0	0	0	0	105	A254 R258 Y260	A254-V256 HydrophobicContact CB-CB 4.4Å; A254-V256 HydrophobicContact CB-CG2 3.58Å; A254-V256 PolarHBondContact O-N 2.95Å; V256-R258 PolarHBondContact O-N 2.74Å; V256-R258 VanDerWaalsContact O-N 3.09Å; V256-Y260 HydrophobicContact CG1-CG 4.49Å
257	Q	43.8	Very low	59.5	Low	140 Å²	140	108.5 Å²	108.5	65%	0.654	53%	0.534	S	S	*	.			trans	-44	126.5	175.7	-77.9	-171.6	-1.2	0	0	108.8	K259 Y260	Q257-K259 PolarHBondContact O-N 2.75Å; Q257-Y260 PolarHBondContact O-N 3.14Å
258	R	42.6	Very low	60.8	Low	226 Å²	226	116.2 Å²	116.2	85%	0.853	56%	0.559	S	S	*	*	H	α-helix	trans	-48.8	-24.2	-172.9	-147	174.3	-172.4	141.2	-0.6	113.2	V256 Y260	V256-R258 PolarHBondContact O-N 2.74Å; V256-R258 VanDerWaalsContact O-N 3.09Å; R258-Y260 VanDerWaalsContact C-N 3.32Å; R258-Y260 PolarHBondContact O-N 3.08Å
259	K	43.8	Very low	61.9	Low	164 Å²	164	113.7 Å²	113.7	71%	0.713	55%	0.55	S	S	*	.	H	α-helix	trans	-60.6	-28.7	172.8	-73.1	-174.1	175.1	-178.1	0	114.7	Q257 S263	Q257-K259 PolarHBondContact O-N 2.75Å; K259-S263 WeakPolarHBondContact O-CB 3.46Å; K259-S263 PolarHBondContact O-OG 2.79Å
260	Y	43.2	Very low	63.1	Low	167 Å²	167	107.5 Å²	107.5	66%	0.655	53%	0.526	S	S	*	.	H	α-helix	trans	-90.4	-23.9	-177.8	-82.5	-86.7	0	0	0	114.1	V256 Q257 R258	V256-Y260 HydrophobicContact CG1-CG 4.49Å; Q257-Y260 PolarHBondContact O-N 3.14Å; R258-Y260 VanDerWaalsContact C-N 3.32Å; R258-Y260 PolarHBondContact O-N 3.08Å
261	R	45.8	Very low	64.2	Low	115 Å²	115	109.9 Å²	109.9	43%	0.434	54%	0.536	S	S	.	.	H	α-helix	trans	-75.3	-24.8	-175.9	-99.9	-174	175.8	-175.2	-4	114.6	P407	R261-P407 HydrophobicContact CG-CB 3.93Å
262	T	50.3	Low	65.6	Low	120 Å²	120	105.5 Å²	105.5	74%	0.736	52%	0.516	S	S	*	.	H	α-helix	trans	-138.1	-3.5	-170	41.8	0	0	0	0	115.7
263	S	56.6	Low	67.3	Low	83 Å²	83	102.2 Å²	102.2	58%	0.58	50%	0.496	S	S	*	.	S	Bend	trans	-86.9	-28.9	-175.7	66.1	0	0	0	0	114.3	K259	K259-S263 WeakPolarHBondContact O-CB 3.46Å; K259-S263 PolarHBondContact O-OG 2.79Å
264	K	72.3	Confident	69.1	Low	108 Å²	108	100 Å²	100	47%	0.47	48%	0.477	S	S	.	.	S	Bend	trans	-89.6	124.4	-179.7	-68.8	-151.1	177.9	-169	0	110.7	R333	K264-R333 PolarHBondContact O-NH1 2.8Å; K264-R333 VanDerWaalsContact O-NH1 3.11Å; K264-R333 PolarHBondContact O-NH2 2.73Å
265	P	85.9	Confident	71.2	Confident	105 Å²	105	105.4 Å²	105.4	68%	0.682	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-57.5	157.9	176.4	24.1	-32	0	0	0	111.2	R333	P265-R333 PolarHBondContact O-NH1 2.95Å
266	E	89	Confident	73.2	Confident	76 Å²	76	99 Å²	99	36%	0.355	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-67.6	134	169.9	-67.3	-67.1	173.5	0	0	109.1	R333 Y403 N405	E266-R333 IonicContact OE1-NH2 2.85Å; E266-R333 IonicContact OE2-NH2 3.57Å; E266-Y403 WeakPolarHBondContact OE2-CE1 3.35Å; E266-Y403 PolarHBondContact OE2-OH 3.15Å; E266-N405 PolarHBondContact OE1-ND2 3.45Å
267	P	91.2	Very high	75.4	Confident	11 Å²	11	99.7 Å²	99.7	7%	0.071	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-63.5	145.4	180	27.6	-34.9	0	0	0	111.5	E272 F273 Y276 Y403	P267-E272 WeakPolarHBondContact CA-OE2 3.37Å; P267-E272 HydrophobicContact CB-CB 3.61Å; P267-F273 HydrophobicContact CB-CD1 3.96Å; P267-F273 HydrophobicContact CB-CD2 4.1Å; P267-F273 HydrophobicContact CB-CE1 4.04Å; P267-F273 HydrophobicContact CB-CE2 4.15Å; P267-F273 HydrophobicContact CB-CG 3.98Å; P267-F273 HydrophobicContact CB-CZ 4.1Å; P267-F273 HydrophobicContact CG-CD1 3.55Å; P267-F273 HydrophobicContact CG-CE1 3.41Å; P267-F273 VanDerWaalsContact CG-CE1 3.41Å; P267-F273 HydrophobicContact CG-CE2 4.38Å; P267-F273 HydrophobicContact CG-CG 4.1Å; P267-F273 HydrophobicContact CG-CZ 3.84Å; P267-F273 WeakPolarHBondContact O-CZ 3.4Å; P267-Y276 HydrophobicContact CB-CE2 4.33Å; P267-Y276 HydrophobicContact CG-CD2 4.42Å; P267-Y276 HydrophobicContact CG-CE2 4.09Å; P267-Y403 WeakPolarHBondContact CD-OH 3.32Å; P267-Y403 HydrophobicContact CG-CD2 4.36Å; P267-Y403 HydrophobicContact CG-CE1 4.2Å; P267-Y403 HydrophobicContact CG-CE2 3.84Å
268	R	89.8	Confident	77.7	Confident	217 Å²	217	94.1 Å²	94.1	82%	0.819	45%	0.452	S	S	*	.			trans	-124.6	-32.5	-180	-62.1	-174.1	-179.9	-168.4	-0.4	112.9	E272	R268-E272 PolarHBondContact N-OE2 2.93Å
269	T	90.6	Very high	80	Confident	70 Å²	70	88.9 Å²	88.9	43%	0.429	44%	0.44	S	S	.	.	S	Bend	trans	-105.1	157.5	178.6	67.5	0	0	0	0	110.8	D271 E272 F273	T269-D271 PolarHBondContact O-N 2.77Å; T269-E272 PolarHBondContact N-OE2 2.75Å; T269-E272 WeakPolarHBondContact O-CB 3.26Å; T269-E272 PolarHBondContact O-N 3.08Å; T269-E272 WeakPolarHBondContact OG1-CG 3.44Å; T269-E272 PolarHBondContact OG1-N 2.96Å; T269-F273 WeakPolarHBondContact O-CD2 3.46Å; T269-F273 PolarHBondContact O-N 3.24Å
270	R	91.9	Very high	82.5	Confident	42 Å²	42	81.1 Å²	81.1	16%	0.158	41%	0.407	C	S	.	.	H	α-helix	trans	-54.4	-42.5	177.8	-170.9	174.8	179.4	-102.9	2.7	112.1	E272 F273 L274 E337 M421	R270-E272 VanDerWaalsContact C-N 3.29Å; R270-E272 PolarHBondContact O-N 3.32Å; R270-F273 WeakPolarHBondContact O-CB 3.44Å; R270-F273 PolarHBondContact O-N 3.43Å; R270-F273 VanDerWaalsContact O-N 3.08Å; R270-L274 HydrophobicContact CG-CD1 4.11Å; R270-L274 HydrophobicContact CG-CG 4.28Å; R270-L274 VanDerWaalsContact O-CG 3.3Å; R270-L274 WeakPolarHBondContact O-CG 3.33Å; R270-L274 PolarHBondContact O-N 2.77Å; R270-E337 IonicContact CZ-OE1 3.99Å; R270-E337 IonicContact CZ-OE2 3.09Å; R270-E337 IonicContact NE-OE1 2.85Å; R270-E337 PolarHBondContact NE-OE1 3.23Å; R270-E337 IonicContact NE-OE2 3.48Å; R270-E337 IonicContact NH2-OE1 3.1Å; R270-E337 PolarHBondContact NH2-OE1 3.1Å; R270-E337 IonicContact NH2-OE2 2.8Å; R270-E337 PolarHBondContact NH2-OE2 2.95Å; R270-M421 WeakPolarHBondContact CA-SD 3.28Å; R270-M421 HydrophobicContact CB-CG 4.2Å; R270-M421 HydrophobicContact CB-SD 3.65Å; R270-M421 HydrophobicContact CG-SD 4.04Å
271	D	89.6	Confident	85	Confident	120 Å²	120	74.3 Å²	74.3	64%	0.642	38%	0.382	S	S	*	.	H	α-helix	trans	-61	-36.4	177.2	-63.4	-25.9	0	0	0	112.9	T269 Q275	T269-D271 PolarHBondContact O-N 2.77Å; D271-Q275 PolarHBondContact O-N 2.82Å
272	E	92.6	Very high	87.5	Confident	71 Å²	71	68.8 Å²	68.8	33%	0.332	36%	0.362	S	S	.	.	H	α-helix	trans	-70.6	-35.6	174.7	-69.2	175.2	172.3	0	0	112	P267 R268 T269 R270 Q275 Y276	P267-E272 WeakPolarHBondContact CA-OE2 3.37Å; P267-E272 HydrophobicContact CB-CB 3.61Å; R268-E272 PolarHBondContact N-OE2 2.93Å; T269-E272 PolarHBondContact N-OE2 2.75Å; T269-E272 WeakPolarHBondContact O-CB 3.26Å; T269-E272 PolarHBondContact O-N 3.08Å; T269-E272 WeakPolarHBondContact OG1-CG 3.44Å; T269-E272 PolarHBondContact OG1-N 2.96Å; R270-E272 VanDerWaalsContact C-N 3.29Å; R270-E272 PolarHBondContact O-N 3.32Å; E272-Q275 WeakPolarHBondContact O-CB 3.01Å; E272-Y276 WeakPolarHBondContact O-CD2 3.47Å; E272-Y276 WeakPolarHBondContact O-CE2 3.07Å
273	F	93.8	Very high	89.8	Confident	1 Å²	1	64.9 Å²	64.9	0%	0.004	34%	0.336	C	S	.	.	H	α-helix	trans	-66.6	-41.4	172.7	-78	-76.1	0	0	0	112	P267 T269 R270 Q275 Y276 Y335 Y403 Y414 M421	P267-F273 HydrophobicContact CB-CD1 3.96Å; P267-F273 HydrophobicContact CB-CD2 4.1Å; P267-F273 HydrophobicContact CB-CE1 4.04Å; P267-F273 HydrophobicContact CB-CE2 4.15Å; P267-F273 HydrophobicContact CB-CG 3.98Å; P267-F273 HydrophobicContact CB-CZ 4.1Å; P267-F273 HydrophobicContact CG-CD1 3.55Å; P267-F273 HydrophobicContact CG-CE1 3.41Å; P267-F273 VanDerWaalsContact CG-CE1 3.41Å; P267-F273 HydrophobicContact CG-CE2 4.38Å; P267-F273 HydrophobicContact CG-CG 4.1Å; P267-F273 HydrophobicContact CG-CZ 3.84Å; P267-F273 WeakPolarHBondContact O-CZ 3.4Å; T269-F273 WeakPolarHBondContact O-CD2 3.46Å; T269-F273 PolarHBondContact O-N 3.24Å; R270-F273 WeakPolarHBondContact O-CB 3.44Å; R270-F273 PolarHBondContact O-N 3.43Å; R270-F273 VanDerWaalsContact O-N 3.08Å; F273-Q275 PolarHBondContact O-N 2.84Å; F273-Q275 VanDerWaalsContact O-N 3.16Å; F273-Y276 PolarHBondContact O-N 3.31Å; F273-Y335 HydrophobicContact CB-CD1 3.94Å; F273-Y335 HydrophobicContact CB-CD2 3.83Å; F273-Y335 HydrophobicContact CB-CE1 4Å; F273-Y335 HydrophobicContact CB-CE2 3.88Å; F273-Y335 HydrophobicContact CB-CG 3.84Å; F273-Y335 AromaticContact CD1-CD2 3.77Å; F273-Y335 HydrophobicContact CD1-CD2 3.77Å; F273-Y335 HydrophobicContact CD1-CE2 4.03Å; F273-Y335 HydrophobicContact CD1-CG 4.41Å; F273-Y335 HydrophobicContact CG-CD2 4.09Å; F273-Y335 HydrophobicContact CG-CE2 4.05Å; F273-Y335 WeakPolarHBondContact O-CB 3.39Å; F273-Y403 AromaticContact CD1-CD2 3.77Å; F273-Y403 HydrophobicContact CD1-CD2 3.77Å; F273-Y403 HydrophobicContact CD1-CE2 4.44Å; F273-Y403 AromaticContact CD1-CG 3.84Å; F273-Y403 HydrophobicContact CD1-CG 3.84Å; F273-Y403 AromaticContact CE1-CD1 3.9Å; F273-Y403 HydrophobicContact CE1-CD1 3.9Å; F273-Y403 AromaticContact CE1-CD2 3.91Å; F273-Y403 HydrophobicContact CE1-CD2 3.91Å; F273-Y403 HydrophobicContact CE1-CE1 4.49Å; F273-Y403 AromaticContact CE1-CG 3.54Å; F273-Y403 HydrophobicContact CE1-CG 3.54Å; F273-Y414 HydrophobicContact CE1-CD2 4.32Å; F273-Y414 AromaticContact CE1-CE2 3.69Å; F273-Y414 HydrophobicContact CE1-CE2 3.69Å; F273-Y414 HydrophobicContact CE2-CE1 4.48Å; F273-Y414 HydrophobicContact CE2-CE2 4.46Å; F273-Y414 HydrophobicContact CZ-CD2 4.19Å; F273-Y414 HydrophobicContact CZ-CE1 4.04Å; F273-Y414 AromaticContact CZ-CE2 3.53Å; F273-Y414 HydrophobicContact CZ-CE2 3.53Å; F273-Y414 AromaticContact CZ-CZ 3.46Å; F273-Y414 VanDerWaalsContact CZ-CZ 3.46Å; F273-M421 HydrophobicContact CD2-CE 3.53Å; F273-M421 HydrophobicContact CD2-SD 3.44Å; F273-M421 WeakPolarHBondContact CD2-SD 3.43Å; F273-M421 HydrophobicContact CE2-CE 3.77Å; F273-M421 HydrophobicContact CE2-SD 3.92Å; F273-M421 HydrophobicContact CG-CE 4.02Å; F273-M421 HydrophobicContact CG-SD 4.26Å; F273-M421 HydrophobicContact CZ-CE 4.41Å
274	L	92.7	Very high	91.8	Very high	43 Å²	43	62.6 Å²	62.6	23%	0.225	32%	0.32	C	S	.	.	H	α-helix	trans	-63	-19.1	179.5	-72.1	172.9	0	0	0	113.2	R270 Y276 A277 Y335 L453	R270-L274 HydrophobicContact CG-CD1 4.11Å; R270-L274 HydrophobicContact CG-CG 4.28Å; R270-L274 VanDerWaalsContact O-CG 3.3Å; R270-L274 WeakPolarHBondContact O-CG 3.33Å; R270-L274 PolarHBondContact O-N 2.77Å; L274-Y276 PolarHBondContact O-N 2.78Å; L274-Y276 VanDerWaalsContact O-N 3.12Å; L274-A277 WeakPolarHBondContact O-CB 3.47Å; L274-A277 PolarHBondContact O-N 2.86Å; L274-Y335 HydrophobicContact CD2-CD1 4.26Å; L274-Y335 HydrophobicContact CD2-CE1 4.09Å; L274-L453 HydrophobicContact CD2-CB 4.03Å; L274-L453 HydrophobicContact CD2-CD1 4.35Å; L274-L453 HydrophobicContact CD2-CD2 3.99Å; L274-L453 HydrophobicContact CD2-CG 4.35Å
275	Q	91.8	Very high	93	Very high	125 Å²	125	61 Å²	61	58%	0.584	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.8	169.3	-63.5	177.7	28	0	0	113.3	D271 E272 F273	D271-Q275 PolarHBondContact O-N 2.82Å; E272-Q275 WeakPolarHBondContact O-CB 3.01Å; F273-Q275 PolarHBondContact O-N 2.84Å; F273-Q275 VanDerWaalsContact O-N 3.16Å
276	Y	93.2	Very high	93.6	Very high	36 Å²	36	56.1 Å²	56.1	14%	0.141	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	14.4	178.2	-50.1	-71.7	0	0	0	112.3	P267 E272 F273 L274 C278 R333 Y334 Y335 Y403	P267-Y276 HydrophobicContact CB-CE2 4.33Å; P267-Y276 HydrophobicContact CG-CD2 4.42Å; P267-Y276 HydrophobicContact CG-CE2 4.09Å; E272-Y276 WeakPolarHBondContact O-CD2 3.47Å; E272-Y276 WeakPolarHBondContact O-CE2 3.07Å; F273-Y276 PolarHBondContact O-N 3.31Å; L274-Y276 PolarHBondContact O-N 2.78Å; L274-Y276 VanDerWaalsContact O-N 3.12Å; Y276-C278 PolarHBondContact O-N 2.93Å; Y276-R333 HydrophobicContact CD1-CB 3.43Å; Y276-R333 VanDerWaalsContact CD1-CB 3.43Å; Y276-R333 HydrophobicContact CD1-CG 4.49Å; Y276-R333 HydrophobicContact CE1-CB 3.74Å; Y276-R333 HydrophobicContact CE1-CG 4.36Å; Y276-R333 HydrophobicContact CG-CB 3.86Å; Y276-R333 PolarHBondContact OH-NH1 2.85Å; Y276-R333 VanDerWaalsContact OH-NH1 3.13Å; Y276-Y334 CarbonylContact O-C 3.58Å; Y276-Y334 WeakPolarHBondContact O-CA 3.31Å; Y276-Y335 PolarHBondContact O-N 2.95Å; Y276-Y403 HydrophobicContact CD2-CE2 4.03Å; Y276-Y403 HydrophobicContact CE2-CE2 4.47Å; Y276-Y403 HydrophobicContact CG-CE2 4.46Å
277	A	93.5	Very high	94.1	Very high	54 Å²	54	52.5 Å²	52.5	45%	0.446	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-46.8	129.6	177.3	0	0	0	0	0	111.7	L274 Y335 L453	L274-A277 WeakPolarHBondContact O-CB 3.47Å; L274-A277 PolarHBondContact O-N 2.86Å; A277-Y335 CarbonylContact C-O 3.55Å; A277-Y335 VanDerWaalsContact CA-O 3.32Å; A277-Y335 WeakPolarHBondContact CA-O 3.25Å; A277-L453 HydrophobicContact CB-CD1 3.4Å
278	C	92.1	Very high	94.4	Very high	23 Å²	23	52.4 Å²	52.4	16%	0.155	27%	0.266	C	S	.	.			trans	-129.9	138.3	172.2	64.3	0	0	0	0	111.6	Y276 I280 Y334 Y335	Y276-C278 PolarHBondContact O-N 2.93Å; C278-I280 PolarHBondContact O-N 2.89Å; C278-Y334 HydrophobicContact CB-CD1 4.15Å; C278-Y335 PolarHBondContact N-O 2.83Å; C278-Y335 PolarHBondContact SG-O 3.27Å
279	D	91.2	Very high	94.8	Very high	115 Å²	115	45.6 Å²	45.6	62%	0.615	24%	0.24	S	C	*	.			trans	-75.3	117.6	174.3	-70.5	-31.8	0	0	0	109.7	Q327	D279-Q327 VanDerWaalsContact O-CD 3.28Å; D279-Q327 WeakPolarHBondContact O-CG 3.37Å
280	I	95	Very high	95.2	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	23%	0.228	C	C	.	.			trans	-110.9	138.7	175.2	-58.1	-62.2	0	0	0	108.9	C278 Q327 L329 F336 A437 I450	C278-I280 PolarHBondContact O-N 2.89Å; I280-Q327 HydrophobicContact CD1-CB 4.19Å; I280-L329 HydrophobicContact CD1-CD2 4.18Å; I280-F336 HydrophobicContact CD1-CD1 4.47Å; I280-F336 HydrophobicContact CG1-CB 3.85Å; I280-F336 HydrophobicContact CG1-CD1 3.91Å; I280-F336 HydrophobicContact CG1-CD2 4.1Å; I280-F336 HydrophobicContact CG1-CE1 4.49Å; I280-F336 HydrophobicContact CG1-CG 3.69Å; I280-A437 HydrophobicContact CG2-CB 4.29Å; I280-I450 HydrophobicContact CB-CD1 4.27Å; I280-I450 HydrophobicContact CB-CG2 4.19Å; I280-I450 HydrophobicContact CG2-CD1 3.78Å; I280-I450 WeakPolarHBondContact O-CG2 3.38Å
281	T	97	Very high	95.5	Very high	23 Å²	23	42.4 Å²	42.4	14%	0.141	22%	0.221	C	C	.	.			trans	-137.4	142.6	171.9	52.6	0	0	0	0	109.2	R298 S325 Q326 Q327	T281-R298 HydrophobicContact CG2-CG 4.36Å; T281-S325 CarbonylContact O-C 3.6Å; T281-S325 VanDerWaalsContact O-CA 3.27Å; T281-S325 WeakPolarHBondContact O-CA 3.5Å; T281-Q326 PolarHBondContact O-N 3.32Å; T281-Q327 PolarHBondContact O-OE1 3.41Å; T281-Q327 PolarHBondContact OG1-NE2 2.8Å; T281-Q327 PolarHBondContact OG1-OE1 3.15Å
282	F	98.5	Very high	96	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-63.4	142.8	173.9	-59.8	-59.7	0	0	0	111	P284 L293 N297 R298 V300 V323 Q326 F439 I448 I450	F282-P284 WeakPolarHBondContact O-CD 3.27Å; F282-L293 HydrophobicContact CB-CD1 4.16Å; F282-L293 HydrophobicContact CB-CD2 3.66Å; F282-L293 HydrophobicContact CD2-CD2 3.96Å; F282-L293 HydrophobicContact CG-CD2 3.99Å; F282-N297 HydrophobicContact CB-CB 4.37Å; F282-N297 WeakPolarHBondContact CB-O 3.28Å; F282-N297 WeakPolarHBondContact CD2-O 3Å; F282-N297 PolarHBondContact N-O 2.96Å; F282-N297 WeakPolarHBondContact O-CB 3.46Å; F282-R298 VanDerWaalsContact CE2-C 3.49Å; F282-R298 WeakPolarHBondContact CE2-O 3.35Å; F282-V300 HydrophobicContact CD1-CG1 4.39Å; F282-V300 HydrophobicContact CD2-CB 3.97Å; F282-V300 HydrophobicContact CD2-CG1 4.19Å; F282-V300 HydrophobicContact CE1-CG1 3.83Å; F282-V300 HydrophobicContact CE2-CB 3.81Å; F282-V300 HydrophobicContact CE2-CG1 3.61Å; F282-V300 HydrophobicContact CG-CB 4.44Å; F282-V300 HydrophobicContact CZ-CB 4.13Å; F282-V300 HydrophobicContact CZ-CG1 3.42Å; F282-V300 VanDerWaalsContact CZ-CG1 3.42Å; F282-V323 HydrophobicContact CB-CG2 3.93Å; F282-V323 HydrophobicContact CD1-CG1 3.75Å; F282-V323 HydrophobicContact CD1-CG2 4.26Å; F282-V323 HydrophobicContact CE1-CG1 4.18Å; F282-V323 HydrophobicContact CG-CG1 4.4Å; F282-V323 HydrophobicContact CG-CG2 4.42Å; F282-Q326 PolarHBondContact O-NE2 2.74Å; F282-F439 AromaticContact CD1-CD2 3.7Å; F282-F439 HydrophobicContact CD1-CD2 3.7Å; F282-F439 AromaticContact CD1-CE2 3.79Å; F282-F439 HydrophobicContact CD1-CE2 3.79Å; F282-F439 HydrophobicContact CD1-CG 4.35Å; F282-F439 HydrophobicContact CE1-CB 4.34Å; F282-F439 AromaticContact CE1-CD1 3.98Å; F282-F439 HydrophobicContact CE1-CD1 3.98Å; F282-F439 AromaticContact CE1-CD2 3.36Å; F282-F439 HydrophobicContact CE1-CD2 3.36Å; F282-F439 HydrophobicContact CE1-CE1 4.07Å; F282-F439 AromaticContact CE1-CE2 3.45Å; F282-F439 HydrophobicContact CE1-CE2 3.45Å; F282-F439 VanDerWaalsContact CE1-CE2 3.45Å; F282-F439 AromaticContact CE1-CG 3.62Å; F282-F439 HydrophobicContact CE1-CG 3.62Å; F282-F439 AromaticContact CE1-CZ 3.8Å; F282-F439 HydrophobicContact CE1-CZ 3.8Å; F282-I448 HydrophobicContact CZ-CB 4.47Å; F282-I448 HydrophobicContact CZ-CG2 4.19Å; F282-I450 HydrophobicContact CD1-CD1 4.04Å; F282-I450 HydrophobicContact CD2-CD1 4Å; F282-I450 HydrophobicContact CE1-CD1 3.75Å; F282-I450 HydrophobicContact CE1-CG1 4.21Å; F282-I450 HydrophobicContact CE2-CD1 3.7Å; F282-I450 HydrophobicContact CE2-CG1 4.05Å; F282-I450 HydrophobicContact CG-CD1 4.14Å; F282-I450 HydrophobicContact CZ-CD1 3.56Å; F282-I450 HydrophobicContact CZ-CG1 3.7Å
283	D	98.1	Very high	96.2	Very high	38 Å²	38	40 Å²	40	20%	0.203	20%	0.201	C	C	.	.			trans	-89.9	109.7	174.8	-175.9	-9.1	0	0	0	110.2	D285 T286 A287 L324 Q326	D283-D285 PolarHBondContact O-N 3.31Å; D283-D285 VanDerWaalsContact O-N 3.16Å; D283-D285 WeakPolarHBondContact OD1-CB 3.31Å; D283-D285 PolarHBondContact OD1-N 2.82Å; D283-T286 HydrophobicContact CB-CG2 3.96Å; D283-T286 PolarHBondContact O-N 2.95Å; D283-T286 PolarHBondContact O-OG1 2.76Å; D283-T286 WeakPolarHBondContact OD2-CG2 3.33Å; D283-A287 PolarHBondContact O-N 3.24Å; D283-L324 PolarHBondContact N-O 3.24Å; D283-Q326 HydrophobicContact CB-CG 3.69Å
284	P	98.1	Very high	96.4	Very high	35 Å²	35	43.1 Å²	43.1	23%	0.227	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.8	177.8	-21.4	33.7	0	0	0	113.9	F282 T286 L293 R316	F282-P284 WeakPolarHBondContact O-CD 3.27Å; P284-T286 VanDerWaalsContact C-N 3.27Å; P284-T286 PolarHBondContact O-N 3.22Å; P284-L293 VanDerWaalsContact CA-CD1 3.5Å; P284-L293 HydrophobicContact CB-CD1 3.88Å; P284-L293 HydrophobicContact CG-CD1 3.84Å; P284-R316 PolarHBondContact O-NH1 3.08Å; P284-R316 PolarHBondContact O-NH2 2.96Å
285	D	98.1	Very high	96.5	Very high	75 Å²	75	45.6 Å²	45.6	40%	0.401	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-20.6	-179.1	-69	-11.1	0	0	0	111.9	D283 L313 S315 R316	D283-D285 PolarHBondContact O-N 3.31Å; D283-D285 VanDerWaalsContact O-N 3.16Å; D283-D285 WeakPolarHBondContact OD1-CB 3.31Å; D283-D285 PolarHBondContact OD1-N 2.82Å; D285-L313 HydrophobicContact CB-CD1 3.63Å; D285-L313 VanDerWaalsContact CG-CD1 3.41Å; D285-L313 WeakPolarHBondContact OD1-CD1 3.44Å; D285-S315 CarbonylContact O-C 3.57Å; D285-S315 PolarHBondContact O-OG 3.29Å; D285-R316 VanDerWaalsContact O-CA 3.23Å; D285-R316 WeakPolarHBondContact O-CA 3.25Å; D285-R316 WeakPolarHBondContact O-CB 3.25Å; D285-R316 PolarHBondContact O-N 2.89Å
286	T	98.4	Very high	96.6	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.012	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-27	177.7	69.6	0	0	0	0	113.2	D283 P284 H288 F317 L324	D283-T286 HydrophobicContact CB-CG2 3.96Å; D283-T286 PolarHBondContact O-N 2.95Å; D283-T286 PolarHBondContact O-OG1 2.76Å; D283-T286 WeakPolarHBondContact OD2-CG2 3.33Å; P284-T286 VanDerWaalsContact C-N 3.27Å; P284-T286 PolarHBondContact O-N 3.22Å; T286-H288 PolarHBondContact O-N 2.77Å; T286-F317 WeakPolarHBondContact O-CD2 3.46Å; T286-F317 PolarHBondContact O-N 3.35Å; T286-L324 HydrophobicContact CG2-CB 4.22Å; T286-L324 HydrophobicContact CG2-CD1 4.43Å; T286-L324 HydrophobicContact CG2-CG 4.33Å; T286-L324 PolarHBondContact OG1-N 2.91Å
287	A	98.5	Very high	96.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.242	C	C	.	.			trans	-57.3	125.6	-171.3	0	0	0	0	0	113	D283 L293 Y310 R316 V323	D283-A287 PolarHBondContact O-N 3.24Å; A287-L293 HydrophobicContact CB-CD1 4.2Å; A287-L293 HydrophobicContact CB-CG 4.38Å; A287-Y310 HydrophobicContact CB-CE2 4.47Å; A287-R316 VanDerWaalsContact O-CG 3.31Å; A287-R316 WeakPolarHBondContact O-CG 3.32Å; A287-R316 PolarHBondContact O-NH1 2.95Å; A287-V323 HydrophobicContact CB-CB 4.23Å; A287-V323 HydrophobicContact CB-CG2 3.81Å
288	H	98.7	Very high	96.9	Very high	9 Å²	9	47.9 Å²	47.9	4%	0.042	23%	0.232	C	C	.	.			trans	-57.8	148.2	171.9	-178.4	-73.1	0	0	0	111.6	T286 Y290 L291 F317 L318 W320 Q322	T286-H288 PolarHBondContact O-N 2.77Å; H288-Y290 VanDerWaalsContact C-N 3.31Å; H288-Y290 AromaticContact CE1-CD2 3.33Å; H288-Y290 WeakPolarHBondContact CE1-CD2 3.48Å; H288-Y290 AromaticContact CE1-CE2 3.95Å; H288-Y290 AromaticContact ND1-CD2 3.84Å; H288-Y290 PolarHBondContact ND1-N 3.15Å; H288-Y290 VanDerWaalsContact ND1-N 3.19Å; H288-Y290 PolarHBondContact O-N 2.9Å; H288-Y290 VanDerWaalsContact O-N 3.14Å; H288-L291 HydrophobicContact CB-CD1 4.13Å; H288-L291 HydrophobicContact CB-CG 4.1Å; H288-L291 VanDerWaalsContact O-CB 3.31Å; H288-L291 WeakPolarHBondContact O-CB 3.3Å; H288-L291 PolarHBondContact O-N 2.93Å; H288-F317 HydrophobicContact CB-CB 4.25Å; H288-F317 PolarHBondContact CD2-O 3.47Å; H288-L318 PolarHBondContact CD2-O 3.47Å; H288-L318 PolarHBondContact NE2-O 2.99Å; H288-W320 PolarHBondContact CD2-O 3.08Å; H288-Q322 PolarHBondContact N-O 2.93Å
289	R	98.3	Very high	97.2	Very high	73 Å²	73	49.7 Å²	49.7	28%	0.275	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-32.8	-173	-70.7	174.5	167.5	-123.9	2	115.9	L291 E307 H308 D312	R289-L291 VanDerWaalsContact C-N 3.29Å; R289-L291 PolarHBondContact O-N 3.04Å; R289-E307 HydrophobicContact CB-CB 4.45Å; R289-E307 HydrophobicContact CB-CG 4.41Å; R289-E307 IonicContact NH1-OE2 3.89Å; R289-E307 WeakPolarHBondContact O-CA 3.25Å; R289-H308 PolarHBondContact O-CD2 3.06Å; R289-H308 PolarHBondContact O-N 2.85Å; R289-D312 IonicContact CZ-OD1 3.7Å; R289-D312 IonicContact NE-OD1 3.93Å; R289-D312 IonicContact NH2-OD1 3.85Å; R289-D312 PolarHBondContact NH2-OD1 3.34Å; R289-D312 IonicContact NH2-OD2 3.02Å; R289-D312 PolarHBondContact NH2-OD2 3.2Å
290	Y	98.6	Very high	97.6	Very high	45 Å²	45	44.2 Å²	44.2	18%	0.176	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-3	173.2	-66.2	-56.6	0	0	0	115.4	H288 T303 T304 P305 E307	H288-Y290 VanDerWaalsContact C-N 3.31Å; H288-Y290 AromaticContact CE1-CD2 3.33Å; H288-Y290 WeakPolarHBondContact CE1-CD2 3.48Å; H288-Y290 AromaticContact CE1-CE2 3.95Å; H288-Y290 AromaticContact ND1-CD2 3.84Å; H288-Y290 PolarHBondContact ND1-N 3.15Å; H288-Y290 VanDerWaalsContact ND1-N 3.19Å; H288-Y290 PolarHBondContact O-N 2.9Å; H288-Y290 VanDerWaalsContact O-N 3.14Å; Y290-T303 PolarHBondContact O-N 3.37Å; Y290-T303 PolarHBondContact O-OG1 3.48Å; Y290-T304 WeakPolarHBondContact CB-OG1 3.32Å; Y290-T304 HydrophobicContact CD1-CG2 4.47Å; Y290-P305 WeakPolarHBondContact CE1-O 3.44Å; Y290-E307 HydrophobicContact CD1-CB 4.47Å; Y290-E307 HydrophobicContact CD1-CG 3.53Å; Y290-E307 HydrophobicContact CE1-CB 4.36Å; Y290-E307 HydrophobicContact CE1-CG 3.1Å; Y290-E307 HydrophobicContact CG-CG 4.43Å; Y290-E307 VanDerWaalsContact CZ-OE1 3.27Å; Y290-E307 PolarHBondContact OH-OE1 2.84Å
291	L	98.6	Very high	97.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	119	-178.9	-59.7	-173.9	0	0	0	110.1	H288 R289 V300 T301 N302 Y310 R321 Q322 V323 L441	H288-L291 HydrophobicContact CB-CD1 4.13Å; H288-L291 HydrophobicContact CB-CG 4.1Å; H288-L291 VanDerWaalsContact O-CB 3.31Å; H288-L291 WeakPolarHBondContact O-CB 3.3Å; H288-L291 PolarHBondContact O-N 2.93Å; R289-L291 VanDerWaalsContact C-N 3.29Å; R289-L291 PolarHBondContact O-N 3.04Å; L291-V300 HydrophobicContact CB-CG2 3.79Å; L291-V300 HydrophobicContact CD1-CG2 4.1Å; L291-V300 HydrophobicContact CD2-CG2 4.42Å; L291-V300 HydrophobicContact CG-CG2 4.32Å; L291-T301 CarbonylContact C-O 3.59Å; L291-T301 WeakPolarHBondContact CA-O 3.36Å; L291-N302 HydrophobicContact CD2-CB 3.88Å; L291-Y310 VanDerWaalsContact O-CE2 3.27Å; L291-Y310 WeakPolarHBondContact O-CE2 3.46Å; L291-Y310 PolarHBondContact O-OH 2.87Å; L291-R321 HydrophobicContact CD2-CB 4.22Å; L291-Q322 WeakPolarHBondContact CD1-O 3.23Å; L291-V323 HydrophobicContact CD1-CB 4.1Å; L291-V323 HydrophobicContact CD1-CG1 4.24Å; L291-L441 HydrophobicContact CD1-CD1 4.15Å; L291-L441 HydrophobicContact CD2-CB 3.98Å; L291-L441 HydrophobicContact CD2-CD1 4.17Å; L291-L441 HydrophobicContact CD2-CG 4.5Å
292	R	98.4	Very high	97.8	Very high	120 Å²	120	44.3 Å²	44.3	45%	0.453	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	125.5	173.2	-164.6	-179.8	-177.1	-178.3	1.4	109.8	Q294 V300 T301 T303 H308	R292-Q294 HydrophobicContact CG-CG 4.02Å; R292-V300 CarbonylContact O-C 3.56Å; R292-V300 VanDerWaalsContact O-CA 3.29Å; R292-V300 WeakPolarHBondContact O-CA 3.4Å; R292-T301 PolarHBondContact N-O 2.91Å; R292-T301 PolarHBondContact O-N 3.41Å; R292-T303 HydrophobicContact CB-CG2 3.91Å; R292-H308 VanDerWaalsContact CB-NE2 3.35Å; R292-H308 WeakPolarHBondContact CB-NE2 3.48Å
293	L	98.2	Very high	97.8	Very high	22 Å²	22	45.7 Å²	45.7	12%	0.115	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	137.6	167	-60.2	-176.9	0	0	0	111.2	F282 P284 A287 K299 V300 Y310	F282-L293 HydrophobicContact CB-CD1 4.16Å; F282-L293 HydrophobicContact CB-CD2 3.66Å; F282-L293 HydrophobicContact CD2-CD2 3.96Å; F282-L293 HydrophobicContact CG-CD2 3.99Å; P284-L293 VanDerWaalsContact CA-CD1 3.5Å; P284-L293 HydrophobicContact CB-CD1 3.88Å; P284-L293 HydrophobicContact CG-CD1 3.84Å; A287-L293 HydrophobicContact CB-CD1 4.2Å; A287-L293 HydrophobicContact CB-CG 4.38Å; L293-K299 CarbonylContact C-O 3.43Å; L293-K299 WeakPolarHBondContact CA-O 3.34Å; L293-V300 HydrophobicContact CD2-CB 3.7Å; L293-V300 HydrophobicContact CD2-CG2 3.74Å; L293-Y310 PolarHBondContact N-OH 3.24Å
294	Q	97.1	Very high	97.7	Very high	66 Å²	66	45.7 Å²	45.7	31%	0.308	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	173.7	-177.9	-57.1	-177	-93	0	0	109.9	R292 D296 N297 R298 K299	R292-Q294 HydrophobicContact CG-CG 4.02Å; Q294-D296 PolarHBondContact O-N 3.29Å; Q294-N297 PolarHBondContact O-N 3.27Å; Q294-N297 VanDerWaalsContact O-N 3.16Å; Q294-R298 PolarHBondContact O-N 2.89Å; Q294-K299 HydrophobicContact CB-CB 4.28Å; Q294-K299 PolarHBondContact N-O 2.63Å; Q294-K299 PolarHBondContact O-N 3.36Å
295	E	94.5	Very high	97.7	Very high	94 Å²	94	48.4 Å²	48.4	44%	0.439	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	53.7	175.2	-62	171.2	-158.8	0	0	111.4	N297 R298 K299 R449	E295-N297 VanDerWaalsContact C-N 3.27Å; E295-N297 PolarHBondContact O-N 3.32Å; E295-R298 VanDerWaalsContact O-CB 3.25Å; E295-R298 WeakPolarHBondContact O-CB 3.46Å; E295-R298 PolarHBondContact O-N 3.02Å; E295-K299 HydrophobicContact CB-CB 4.09Å; E295-K299 VanDerWaalsContact CD-CD 3.46Å; E295-K299 HydrophobicContact CG-CB 4.19Å; E295-K299 HydrophobicContact CG-CD 4.33Å; E295-K299 WeakPolarHBondContact OE1-CD 3.32Å; E295-K299 IonicContact OE1-NZ 2.64Å; E295-K299 PolarHBondContact OE1-NZ 3.36Å; E295-K299 VanDerWaalsContact OE1-NZ 3.1Å; E295-R449 WeakPolarHBondContact OE2-CD 3.49Å
296	D	94.6	Very high	97.6	Very high	149 Å²	149	54 Å²	54	80%	0.797	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	44.6	-177.6	-59.5	-32.9	0	0	0	113.6	Q294 R298	Q294-D296 PolarHBondContact O-N 3.29Å; D296-R298 PolarHBondContact O-N 2.85Å
297	N	96.8	Very high	97.6	Very high	48 Å²	48	58.6 Å²	58.6	26%	0.257	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	26.2	-176.2	-53	-46.4	0	0	0	114.2	F282 Q294 E295	F282-N297 HydrophobicContact CB-CB 4.37Å; F282-N297 WeakPolarHBondContact CB-O 3.28Å; F282-N297 WeakPolarHBondContact CD2-O 3Å; F282-N297 PolarHBondContact N-O 2.96Å; F282-N297 WeakPolarHBondContact O-CB 3.46Å; Q294-N297 PolarHBondContact O-N 3.27Å; Q294-N297 VanDerWaalsContact O-N 3.16Å; E295-N297 VanDerWaalsContact C-N 3.27Å; E295-N297 PolarHBondContact O-N 3.32Å
298	R	97	Very high	97.6	Very high	67 Å²	67	60.3 Å²	60.3	25%	0.253	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-6.5	169.8	-61.6	-171.5	-179.6	-169.7	0.8	113.3	T281 F282 Q294 E295 D296 R449 I450 D452	T281-R298 HydrophobicContact CG2-CG 4.36Å; F282-R298 VanDerWaalsContact CE2-C 3.49Å; F282-R298 WeakPolarHBondContact CE2-O 3.35Å; Q294-R298 PolarHBondContact O-N 2.89Å; E295-R298 VanDerWaalsContact O-CB 3.25Å; E295-R298 WeakPolarHBondContact O-CB 3.46Å; E295-R298 PolarHBondContact O-N 3.02Å; D296-R298 PolarHBondContact O-N 2.85Å; R298-R449 CarbonylContact O-C 3.52Å; R298-R449 WeakPolarHBondContact O-CA 3.44Å; R298-I450 HydrophobicContact CB-CB 4.33Å; R298-I450 PolarHBondContact O-N 2.81Å; R298-D452 IonicContact CZ-OD2 3.34Å; R298-D452 IonicContact NH1-OD2 3.03Å; R298-D452 PolarHBondContact NH1-OD2 3.19Å
299	K	98.1	Very high	97.5	Very high	61 Å²	61	66.2 Å²	66.2	27%	0.265	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	134.6	173.3	-175.9	172.6	-179.6	177	0	111.9	L293 Q294 E295 I448 R449	L293-K299 CarbonylContact C-O 3.43Å; L293-K299 WeakPolarHBondContact CA-O 3.34Å; Q294-K299 HydrophobicContact CB-CB 4.28Å; Q294-K299 PolarHBondContact N-O 2.63Å; Q294-K299 PolarHBondContact O-N 3.36Å; E295-K299 HydrophobicContact CB-CB 4.09Å; E295-K299 VanDerWaalsContact CD-CD 3.46Å; E295-K299 HydrophobicContact CG-CB 4.19Å; E295-K299 HydrophobicContact CG-CD 4.33Å; E295-K299 WeakPolarHBondContact OE1-CD 3.32Å; E295-K299 IonicContact OE1-NZ 2.64Å; E295-K299 PolarHBondContact OE1-NZ 3.36Å; E295-K299 VanDerWaalsContact OE1-NZ 3.1Å; K299-I448 WeakPolarHBondContact CA-O 3.46Å; K299-R449 HydrophobicContact CB-CG 4.46Å; K299-R449 HydrophobicContact CG-CB 4.5Å
300	V	98.5	Very high	97.4	Very high	0 Å²	0	65 Å²	65	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.6	174.1	63	0	0	0	0	110.1	F282 L291 R292 L293 V323 L441 A447 I448	F282-V300 HydrophobicContact CD1-CG1 4.39Å; F282-V300 HydrophobicContact CD2-CB 3.97Å; F282-V300 HydrophobicContact CD2-CG1 4.19Å; F282-V300 HydrophobicContact CE1-CG1 3.83Å; F282-V300 HydrophobicContact CE2-CB 3.81Å; F282-V300 HydrophobicContact CE2-CG1 3.61Å; F282-V300 HydrophobicContact CG-CB 4.44Å; F282-V300 HydrophobicContact CZ-CB 4.13Å; F282-V300 HydrophobicContact CZ-CG1 3.42Å; F282-V300 VanDerWaalsContact CZ-CG1 3.42Å; L291-V300 HydrophobicContact CB-CG2 3.79Å; L291-V300 HydrophobicContact CD1-CG2 4.1Å; L291-V300 HydrophobicContact CD2-CG2 4.42Å; L291-V300 HydrophobicContact CG-CG2 4.32Å; R292-V300 CarbonylContact O-C 3.56Å; R292-V300 VanDerWaalsContact O-CA 3.29Å; R292-V300 WeakPolarHBondContact O-CA 3.4Å; L293-V300 HydrophobicContact CD2-CB 3.7Å; L293-V300 HydrophobicContact CD2-CG2 3.74Å; V300-V323 HydrophobicContact CB-CG1 4.47Å; V300-V323 HydrophobicContact CG1-CG1 4.24Å; V300-V323 HydrophobicContact CG2-CG1 4.14Å; V300-L441 HydrophobicContact CG1-CD1 3.82Å; V300-L441 HydrophobicContact CG1-CD2 4Å; V300-L441 HydrophobicContact CG2-CD1 4.12Å; V300-L441 HydrophobicContact CG2-CD2 4.44Å; V300-A447 CarbonylContact O-C 3.6Å; V300-A447 WeakPolarHBondContact O-CA 3.32Å; V300-I448 HydrophobicContact CG1-CB 3.91Å; V300-I448 PolarHBondContact N-O 3.46Å; V300-I448 PolarHBondContact O-N 3.04Å
301	T	98.6	Very high	97.3	Very high	25 Å²	25	66.5 Å²	66.5	15%	0.153	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	135	178.3	-58	0	0	0	0	110.7	L291 R292 T303 N446 A447	L291-T301 CarbonylContact C-O 3.59Å; L291-T301 WeakPolarHBondContact CA-O 3.36Å; R292-T301 PolarHBondContact N-O 2.91Å; R292-T301 PolarHBondContact O-N 3.41Å; T301-T303 HydrophobicContact CG2-CG2 4.31Å; T301-T303 PolarHBondContact O-N 3.01Å; T301-N446 CarbonylContact C-O 3.56Å; T301-N446 WeakPolarHBondContact CA-O 3.33Å; T301-A447 HydrophobicContact CG2-CB 4.2Å; T301-A447 WeakPolarHBondContact OG1-CB 3.5Å
302	N	98.5	Very high	97.2	Very high	2 Å²	2	72.1 Å²	72.1	1%	0.011	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	109	172.1	-177.8	-26.5	0	0	0	110.1	L291 T304 L441 K443 E445 N446	L291-N302 HydrophobicContact CD2-CB 3.88Å; N302-T304 VanDerWaalsContact OD1-CB 3.3Å; N302-T304 WeakPolarHBondContact OD1-CB 3.44Å; N302-T304 PolarHBondContact OD1-N 2.88Å; N302-T304 PolarHBondContact OD1-OG1 3.36Å; N302-L441 HydrophobicContact CB-CB 4Å; N302-L441 PolarHBondContact ND2-O 3.14Å; N302-K443 WeakPolarHBondContact CB-O 3.41Å; N302-K443 PolarHBondContact ND2-O 2.96Å; N302-E445 PolarHBondContact O-N 2.87Å; N302-N446 HydrophobicContact CB-CB 4.48Å; N302-N446 PolarHBondContact N-O 3.07Å
303	T	98.2	Very high	97.2	Very high	29 Å²	29	68.9 Å²	68.9	18%	0.178	35%	0.353	C	S	.	.			trans	-100.7	19.8	-176.8	57.8	0	0	0	0	113.6	Y290 R292 T301 W306 H308	Y290-T303 PolarHBondContact O-N 3.37Å; Y290-T303 PolarHBondContact O-OG1 3.48Å; R292-T303 HydrophobicContact CB-CG2 3.91Å; T301-T303 HydrophobicContact CG2-CG2 4.31Å; T301-T303 PolarHBondContact O-N 3.01Å; T303-W306 WeakPolarHBondContact O-CA 3.31Å; T303-W306 VanDerWaalsContact O-CB 3.31Å; T303-W306 WeakPolarHBondContact O-CB 3.46Å; T303-W306 VanDerWaalsContact O-CD1 3.24Å; T303-W306 PolarHBondContact O-N 2.82Å; T303-W306 PolarHBondContact OG1-O 3.02Å; T303-H308 PolarHBondContact OG1-NE2 3.22Å
304	T	96.8	Very high	97.1	Very high	37 Å²	37	73.2 Å²	73.2	23%	0.227	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.1	131.2	178.6	-57.7	0	0	0	0	110.9	Y290 N302 K444	Y290-T304 WeakPolarHBondContact CB-OG1 3.32Å; Y290-T304 HydrophobicContact CD1-CG2 4.47Å; N302-T304 VanDerWaalsContact OD1-CB 3.3Å; N302-T304 WeakPolarHBondContact OD1-CB 3.44Å; N302-T304 PolarHBondContact OD1-N 2.88Å; N302-T304 PolarHBondContact OD1-OG1 3.36Å; T304-K444 VanDerWaalsContact O-CD 3.31Å; T304-K444 WeakPolarHBondContact O-CD 3.13Å; T304-K444 WeakPolarHBondContact O-CE 3.37Å; T304-K444 WeakPolarHBondContact O-CG 3.37Å
305	P	96.7	Very high	97.1	Very high	92 Å²	92	71.8 Å²	71.8	60%	0.597	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	cis	-91.9	13.1	9.5	38.1	-37	0	0	0	115.4	Y290 E307	Y290-P305 WeakPolarHBondContact CE1-O 3.44Å; P305-E307 PolarHBondContact O-N 3.11Å
306	W	97.5	Very high	97.3	Very high	194 Å²	194	67.5 Å²	67.5	74%	0.735	36%	0.359	S	S	*	.			trans	-81.6	114.1	-179.6	-53.4	97.6	0	0	0	111.3	T303	T303-W306 WeakPolarHBondContact O-CA 3.31Å; T303-W306 VanDerWaalsContact O-CB 3.31Å; T303-W306 WeakPolarHBondContact O-CB 3.46Å; T303-W306 VanDerWaalsContact O-CD1 3.24Å; T303-W306 PolarHBondContact O-N 2.82Å; T303-W306 PolarHBondContact OG1-O 3.02Å
307	E	97.4	Very high	97.5	Very high	98 Å²	98	60.5 Å²	60.5	46%	0.458	32%	0.322	S	S	.	.			trans	-86.4	150.2	173.3	-64.1	-175.1	-155.5	0	0	111.9	R289 Y290 P305	R289-E307 HydrophobicContact CB-CB 4.45Å; R289-E307 HydrophobicContact CB-CG 4.41Å; R289-E307 IonicContact NH1-OE2 3.89Å; R289-E307 WeakPolarHBondContact O-CA 3.25Å; Y290-E307 HydrophobicContact CD1-CB 4.47Å; Y290-E307 HydrophobicContact CD1-CG 3.53Å; Y290-E307 HydrophobicContact CE1-CB 4.36Å; Y290-E307 HydrophobicContact CE1-CG 3.1Å; Y290-E307 HydrophobicContact CG-CG 4.43Å; Y290-E307 VanDerWaalsContact CZ-OE1 3.27Å; Y290-E307 PolarHBondContact OH-OE1 2.84Å; P305-E307 PolarHBondContact O-N 3.11Å
308	H	97.8	Very high	97.5	Very high	36 Å²	36	62.2 Å²	62.2	17%	0.167	33%	0.331	C	S	.	.			trans	-104	143.4	174.5	-60.6	-73.5	0	0	0	110.4	R289 R292 T303 Y310	R289-H308 PolarHBondContact O-CD2 3.06Å; R289-H308 PolarHBondContact O-N 2.85Å; R292-H308 VanDerWaalsContact CB-NE2 3.35Å; R292-H308 WeakPolarHBondContact CB-NE2 3.48Å; T303-H308 PolarHBondContact OG1-NE2 3.22Å; H308-Y310 HydrophobicContact CB-CD2 3.83Å; H308-Y310 HydrophobicContact CB-CE2 3.48Å; H308-Y310 VanDerWaalsContact CB-CE2 3.48Å; H308-Y310 HydrophobicContact CB-CG 4.49Å; H308-Y310 PolarHBondContact O-N 2.97Å
309	P	96.9	Very high	97.5	Very high	133 Å²	133	61.7 Å²	61.7	86%	0.864	33%	0.331	S	S	*	.			trans	-79.6	56.4	-173.4	35.1	-38.1	0	0	0	112.2
310	Y	97	Very high	97.4	Very high	48 Å²	48	61 Å²	61	19%	0.188	33%	0.327	C	S	.	.			trans	-76.4	145.6	176.1	-62	-59.3	0	0	0	111.8	A287 L291 L293 H308	A287-Y310 HydrophobicContact CB-CE2 4.47Å; L291-Y310 VanDerWaalsContact O-CE2 3.27Å; L291-Y310 WeakPolarHBondContact O-CE2 3.46Å; L291-Y310 PolarHBondContact O-OH 2.87Å; L293-Y310 PolarHBondContact N-OH 3.24Å; H308-Y310 HydrophobicContact CB-CD2 3.83Å; H308-Y310 HydrophobicContact CB-CE2 3.48Å; H308-Y310 VanDerWaalsContact CB-CE2 3.48Å; H308-Y310 HydrophobicContact CB-CG 4.49Å; H308-Y310 PolarHBondContact O-N 2.97Å
311	P	97	Very high	97.4	Very high	76 Å²	76	65 Å²	65	49%	0.494	34%	0.342	S	S	.	.			trans	-65.9	146.5	177.4	27.8	-34.8	0	0	0	111.3	L313 R316	P311-L313 HydrophobicContact CG-CD1 4.22Å; P311-L313 HydrophobicContact CG-CG 4.35Å; P311-L313 PolarHBondContact O-N 2.65Å; P311-R316 VanDerWaalsContact O-CZ 3.28Å; P311-R316 PolarHBondContact O-NE 3.44Å; P311-R316 PolarHBondContact O-NH2 3.42Å
312	D	96.2	Very high	97.4	Very high	118 Å²	118	63.8 Å²	63.8	63%	0.631	33%	0.334	S	S	*	.			trans	-72.8	112.9	174.2	-76.6	-38.6	0	0	0	110.6	R289	R289-D312 IonicContact CZ-OD1 3.7Å; R289-D312 IonicContact NE-OD1 3.93Å; R289-D312 IonicContact NH2-OD1 3.85Å; R289-D312 PolarHBondContact NH2-OD1 3.34Å; R289-D312 IonicContact NH2-OD2 3.02Å; R289-D312 PolarHBondContact NH2-OD2 3.2Å
313	L	97.5	Very high	97.4	Very high	52 Å²	52	63.7 Å²	63.7	27%	0.272	33%	0.334	S	S	.	.			trans	-127.3	148.6	-179	-63.3	174.9	0	0	0	110.2	D285 P311 S315 R316 K357	D285-L313 HydrophobicContact CB-CD1 3.63Å; D285-L313 VanDerWaalsContact CG-CD1 3.41Å; D285-L313 WeakPolarHBondContact OD1-CD1 3.44Å; P311-L313 HydrophobicContact CG-CD1 4.22Å; P311-L313 HydrophobicContact CG-CG 4.35Å; P311-L313 PolarHBondContact O-N 2.65Å; L313-S315 WeakPolarHBondContact CB-OG 3.46Å; L313-S315 PolarHBondContact O-N 2.94Å; L313-R316 WeakPolarHBondContact O-CB 3.16Å; L313-R316 PolarHBondContact O-N 2.9Å; L313-R316 VanDerWaalsContact O-N 3.14Å; L313-K357 PolarHBondContact O-NZ 2.9Å
314	P	96.7	Very high	97.5	Very high	112 Å²	112	62.5 Å²	62.5	73%	0.727	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-32.1	172.7	-25.1	34.6	0	0	0	113	R316 K357	P314-R316 VanDerWaalsContact C-N 3.33Å; P314-R316 PolarHBondContact O-N 2.84Å; P314-K357 WeakPolarHBondContact O-CE 3.43Å
315	S	97.2	Very high	97.5	Very high	37 Å²	37	60.8 Å²	60.8	26%	0.259	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-22.3	179.1	43.9	0	0	0	0	114.5	D285 L313 R356	D285-S315 CarbonylContact O-C 3.57Å; D285-S315 PolarHBondContact O-OG 3.29Å; L313-S315 WeakPolarHBondContact CB-OG 3.46Å; L313-S315 PolarHBondContact O-N 2.94Å; S315-R356 WeakPolarHBondContact O-CG 3.4Å; S315-R356 PolarHBondContact O-NH1 2.93Å
316	R	98.1	Very high	97.5	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.015	31%	0.308	C	S	.	.	S	Bend	trans	-74	131.3	-173.2	-170.3	172.8	-53.3	-60.5	-13.7	112.6	P284 D285 A287 P311 L313 P314 L318 K357	P284-R316 PolarHBondContact O-NH1 3.08Å; P284-R316 PolarHBondContact O-NH2 2.96Å; D285-R316 VanDerWaalsContact O-CA 3.23Å; D285-R316 WeakPolarHBondContact O-CA 3.25Å; D285-R316 WeakPolarHBondContact O-CB 3.25Å; D285-R316 PolarHBondContact O-N 2.89Å; A287-R316 VanDerWaalsContact O-CG 3.31Å; A287-R316 WeakPolarHBondContact O-CG 3.32Å; A287-R316 PolarHBondContact O-NH1 2.95Å; P311-R316 VanDerWaalsContact O-CZ 3.28Å; P311-R316 PolarHBondContact O-NE 3.44Å; P311-R316 PolarHBondContact O-NH2 3.42Å; L313-R316 WeakPolarHBondContact O-CB 3.16Å; L313-R316 PolarHBondContact O-N 2.9Å; L313-R316 VanDerWaalsContact O-N 3.14Å; P314-R316 VanDerWaalsContact C-N 3.33Å; P314-R316 PolarHBondContact O-N 2.84Å; R316-L318 PolarHBondContact O-N 3.16Å; R316-K357 WeakPolarHBondContact O-CE 3.48Å; R316-K357 PolarHBondContact O-NZ 3.21Å
317	F	98.3	Very high	97.4	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	29%	0.286	C	S	.	.			trans	-67.3	129.5	171.2	-72.8	-75.4	0	0	0	111.9	T286 H288 W320 Q322 L324 I354 R356	T286-F317 WeakPolarHBondContact O-CD2 3.46Å; T286-F317 PolarHBondContact O-N 3.35Å; H288-F317 HydrophobicContact CB-CB 4.25Å; H288-F317 PolarHBondContact CD2-O 3.47Å; F317-W320 WeakPolarHBondContact CB-O 3.49Å; F317-Q322 HydrophobicContact CB-CB 4.39Å; F317-Q322 HydrophobicContact CD1-CB 4.14Å; F317-Q322 HydrophobicContact CD2-CB 3.48Å; F317-Q322 VanDerWaalsContact CD2-CB 3.48Å; F317-Q322 WeakPolarHBondContact CD2-O 3.17Å; F317-Q322 HydrophobicContact CE1-CB 4.27Å; F317-Q322 HydrophobicContact CE2-CB 3.6Å; F317-Q322 HydrophobicContact CG-CB 3.76Å; F317-Q322 HydrophobicContact CZ-CB 4.01Å; F317-L324 HydrophobicContact CE2-CD1 4.44Å; F317-L324 HydrophobicContact CE2-CD2 3.92Å; F317-L324 HydrophobicContact CE2-CG 3.86Å; F317-L324 HydrophobicContact CZ-CD2 4.08Å; F317-L324 HydrophobicContact CZ-CG 4.28Å; F317-I354 HydrophobicContact CE1-CD1 4.49Å; F317-I354 HydrophobicContact CE1-CG2 4.18Å; F317-I354 HydrophobicContact CZ-CG2 3.84Å; F317-R356 CarbonylContact C-O 3.45Å; F317-R356 VanDerWaalsContact CA-O 3.29Å; F317-R356 WeakPolarHBondContact CA-O 3.2Å; F317-R356 HydrophobicContact CD1-CB 4.35Å
318	L	97.5	Very high	97.3	Very high	85 Å²	85	52.3 Å²	52.3	45%	0.445	28%	0.282	S	S	.	.	S	Bend	trans	-94.5	-44.2	-176	-177.6	59.6	0	0	0	113.6	H288 R316 R356 K357	H288-L318 PolarHBondContact CD2-O 3.47Å; H288-L318 PolarHBondContact NE2-O 2.99Å; R316-L318 PolarHBondContact O-N 3.16Å; L318-R356 PolarHBondContact N-O 3.04Å; L318-K357 HydrophobicContact CB-CD 3.89Å; L318-K357 HydrophobicContact CD2-CD 4.34Å
319	H	96.3	Very high	97.2	Very high	56 Å²	56	50.7 Å²	50.7	26%	0.259	28%	0.275	S	S	.	.	S	Bend	trans	-108.1	-47.7	-174.5	-61.7	-81.3	0	0	0	112.3	R321 K357 E359	H319-R321 WeakPolarHBondContact O-CD 3.43Å; H319-R321 PolarHBondContact O-NH1 3.11Å; H319-K357 PolarHBondContact CD2-O 3.12Å; H319-K357 PolarHBondContact NE2-O 3.35Å; H319-E359 WeakPolarHBondContact CE1-CG 3.32Å; H319-E359 IonicContact CE1-OE1 2.96Å; H319-E359 PolarHBondContact CE1-OE1 2.87Å; H319-E359 IonicContact ND1-OE1 3.52Å; H319-E359 VanDerWaalsContact NE2-CG 3.33Å; H319-E359 WeakPolarHBondContact NE2-CG 3.3Å; H319-E359 IonicContact NE2-OE1 2.81Å
320	W	97.6	Very high	96.9	Very high	46 Å²	46	47.1 Å²	47.1	17%	0.174	25%	0.245	C	C	.	.	S	Bend	trans	-79.7	130.3	-179.7	-59.9	102.1	0	0	0	110.1	H288 F317 Q322 G358 E359 E360 R361 C364 W440	H288-W320 PolarHBondContact CD2-O 3.08Å; F317-W320 WeakPolarHBondContact CB-O 3.49Å; W320-Q322 HydrophobicContact CB-CG 3.82Å; W320-Q322 PolarHBondContact O-N 3.06Å; W320-G358 PolarHBondContact NE1-O 2.94Å; W320-E359 WeakPolarHBondContact CZ2-O 3.14Å; W320-E360 PolarHBondContact NE1-O 2.77Å; W320-R361 HydrophobicContact CH2-CG 4.41Å; W320-R361 HydrophobicContact CZ2-CG 4.48Å; W320-C364 HydrophobicContact CD2-CB 3.55Å; W320-C364 HydrophobicContact CE3-CB 3.7Å; W320-C364 HydrophobicContact CG-CB 3.93Å; W320-C364 HydrophobicContact CH2-CB 4.4Å; W320-C364 HydrophobicContact CZ2-CB 4.27Å; W320-C364 HydrophobicContact CZ3-CB 4.13Å; W320-W440 AromaticContact CE3-CE2 3.94Å; W320-W440 HydrophobicContact CE3-CH2 4.14Å; W320-W440 AromaticContact CE3-CZ2 3.59Å; W320-W440 HydrophobicContact CE3-CZ2 3.59Å; W320-W440 AromaticContact CZ3-CH2 3.8Å; W320-W440 HydrophobicContact CZ3-CH2 3.8Å; W320-W440 AromaticContact CZ3-CZ2 3.52Å; W320-W440 HydrophobicContact CZ3-CZ2 3.52Å
321	R	98.1	Very high	96.4	Very high	84 Å²	84	46.5 Å²	46.5	32%	0.317	24%	0.244	S	C	.	.			trans	-74.9	63.7	-179.1	-79.1	62.6	167.4	179.9	0.5	110.5	L291 H319 L441	L291-R321 HydrophobicContact CD2-CB 4.22Å; H319-R321 WeakPolarHBondContact O-CD 3.43Å; H319-R321 PolarHBondContact O-NH1 3.11Å; R321-L441 VanDerWaalsContact CB-O 3.32Å; R321-L441 WeakPolarHBondContact CB-O 3.42Å; R321-L441 PolarHBondContact O-N 3.2Å
322	Q	98.7	Very high	96	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	157.4	-172.5	-65.1	-178.2	145	0	0	111.9	H288 L291 F317 W320 S363 C364 F439 W440	H288-Q322 PolarHBondContact N-O 2.93Å; L291-Q322 WeakPolarHBondContact CD1-O 3.23Å; F317-Q322 HydrophobicContact CB-CB 4.39Å; F317-Q322 HydrophobicContact CD1-CB 4.14Å; F317-Q322 HydrophobicContact CD2-CB 3.48Å; F317-Q322 VanDerWaalsContact CD2-CB 3.48Å; F317-Q322 WeakPolarHBondContact CD2-O 3.17Å; F317-Q322 HydrophobicContact CE1-CB 4.27Å; F317-Q322 HydrophobicContact CE2-CB 3.6Å; F317-Q322 HydrophobicContact CG-CB 3.76Å; F317-Q322 HydrophobicContact CZ-CB 4.01Å; W320-Q322 HydrophobicContact CB-CG 3.82Å; W320-Q322 PolarHBondContact O-N 3.06Å; Q322-S363 PolarHBondContact NE2-O 3.44Å; Q322-C364 VanDerWaalsContact OE1-CA 3.22Å; Q322-F439 CarbonylContact C-O 3.52Å; Q322-F439 WeakPolarHBondContact CA-O 3.46Å; Q322-W440 HydrophobicContact CG-CB 3.8Å; Q322-W440 HydrophobicContact CG-CG 3.91Å
323	V	98.7	Very high	95.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	146.4	169.8	62.7	0	0	0	0	108.4	F282 A287 L291 V300 F439	F282-V323 HydrophobicContact CB-CG2 3.93Å; F282-V323 HydrophobicContact CD1-CG1 3.75Å; F282-V323 HydrophobicContact CD1-CG2 4.26Å; F282-V323 HydrophobicContact CE1-CG1 4.18Å; F282-V323 HydrophobicContact CG-CG1 4.4Å; F282-V323 HydrophobicContact CG-CG2 4.42Å; A287-V323 HydrophobicContact CB-CB 4.23Å; A287-V323 HydrophobicContact CB-CG2 3.81Å; L291-V323 HydrophobicContact CD1-CB 4.1Å; L291-V323 HydrophobicContact CD1-CG1 4.24Å; V300-V323 HydrophobicContact CB-CG1 4.47Å; V300-V323 HydrophobicContact CG1-CG1 4.24Å; V300-V323 HydrophobicContact CG2-CG1 4.14Å; V323-F439 HydrophobicContact CG1-CB 3.88Å; V323-F439 HydrophobicContact CG1-CD2 4.26Å; V323-F439 HydrophobicContact CG1-CG 4.47Å; V323-F439 PolarHBondContact N-O 3.36Å; V323-F439 WeakPolarHBondContact O-CD2 3.2Å; V323-F439 PolarHBondContact O-N 2.85Å
324	L	98.6	Very high	95.8	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.016	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	166.2	175.1	-53.2	-174	0	0	0	110.9	D283 T286 F317 T350 I354 A437 A438	D283-L324 PolarHBondContact N-O 3.24Å; T286-L324 HydrophobicContact CG2-CB 4.22Å; T286-L324 HydrophobicContact CG2-CD1 4.43Å; T286-L324 HydrophobicContact CG2-CG 4.33Å; T286-L324 PolarHBondContact OG1-N 2.91Å; F317-L324 HydrophobicContact CE2-CD1 4.44Å; F317-L324 HydrophobicContact CE2-CD2 3.92Å; F317-L324 HydrophobicContact CE2-CG 3.86Å; F317-L324 HydrophobicContact CZ-CD2 4.08Å; F317-L324 HydrophobicContact CZ-CG 4.28Å; L324-T350 HydrophobicContact CD1-CG2 4.32Å; L324-T350 HydrophobicContact CD2-CG2 3.65Å; L324-I354 HydrophobicContact CD1-CG2 4.39Å; L324-A437 CarbonylContact C-O 3.43Å; L324-A437 VanDerWaalsContact CA-O 3.31Å; L324-A437 WeakPolarHBondContact CA-O 3.15Å; L324-A438 HydrophobicContact CD2-CB 3.62Å
325	S	98.2	Very high	95.8	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.007	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	155.7	164.2	56	0	0	0	0	112	T281 Q327 Y436 A437	T281-S325 CarbonylContact O-C 3.6Å; T281-S325 VanDerWaalsContact O-CA 3.27Å; T281-S325 WeakPolarHBondContact O-CA 3.5Å; S325-Q327 PolarHBondContact OG-O 3.16Å; S325-Y436 WeakPolarHBondContact O-CD1 3.29Å; S325-A437 PolarHBondContact N-O 3.12Å; S325-A437 PolarHBondContact OG-N 3Å
326	Q	96.6	Very high	95.8	Very high	93 Å²	93	36.8 Å²	36.8	44%	0.435	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-37.3	167.7	-65.3	-179.3	24	0	0	111	T281 F282 D283	T281-Q326 PolarHBondContact O-N 3.32Å; F282-Q326 PolarHBondContact O-NE2 2.74Å; D283-Q326 HydrophobicContact CB-CG 3.69Å
327	Q	95.7	Very high	95.8	Very high	59 Å²	59	36.7 Å²	36.7	28%	0.276	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	137.3	-178.1	-57.5	77	8	0	0	110.5	D279 I280 T281 S325 Y436	D279-Q327 VanDerWaalsContact O-CD 3.28Å; D279-Q327 WeakPolarHBondContact O-CG 3.37Å; I280-Q327 HydrophobicContact CD1-CB 4.19Å; T281-Q327 PolarHBondContact O-OE1 3.41Å; T281-Q327 PolarHBondContact OG1-NE2 2.8Å; T281-Q327 PolarHBondContact OG1-OE1 3.15Å; S325-Q327 PolarHBondContact OG-O 3.16Å; Q327-Y436 WeakPolarHBondContact O-CD1 3.49Å
328	S	95.4	Very high	95.8	Very high	54 Å²	54	36.6 Å²	36.6	38%	0.378	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	139.9	167.2	66.9	0	0	0	0	110.7	V435	S328-V435 CarbonylContact C-O 3.59Å; S328-V435 WeakPolarHBondContact CA-O 3.48Å
329	L	94.4	Very high	95.8	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	121.7	177.7	-48.5	-178.6	0	0	0	109.1	I280 Y334 F336 L349 V404 V435	I280-L329 HydrophobicContact CD1-CD2 4.18Å; L329-Y334 HydrophobicContact CB-CD2 3.76Å; L329-Y334 HydrophobicContact CB-CE2 3.77Å; L329-Y334 HydrophobicContact CB-CG 4.2Å; L329-Y334 HydrophobicContact CD1-CD2 4.47Å; L329-Y334 HydrophobicContact CD1-CG 4.34Å; L329-Y334 HydrophobicContact CD2-CD1 3.72Å; L329-Y334 HydrophobicContact CD2-CD2 4.27Å; L329-Y334 HydrophobicContact CD2-CE1 4.05Å; L329-Y334 HydrophobicContact CD2-CG 3.82Å; L329-Y334 HydrophobicContact CG-CD2 4.38Å; L329-Y334 HydrophobicContact CG-CG 4.34Å; L329-F336 HydrophobicContact CD1-CE1 4.35Å; L329-L349 HydrophobicContact CD1-CD2 4.21Å; L329-V404 HydrophobicContact CD1-CB 4.39Å; L329-V404 HydrophobicContact CD1-CG2 3.86Å; L329-V435 HydrophobicContact CB-CG2 3.94Å; L329-V435 PolarHBondContact N-O 3.23Å; L329-V435 PolarHBondContact O-N 3.46Å; L329-V435 VanDerWaalsContact O-N 3.08Å
330	Y	91.9	Very high	95.7	Very high	57 Å²	57	31.3 Å²	31.3	22%	0.224	14%	0.143	C	C	.	.			trans	-147.5	134.8	-176.2	-167	-125.9	0	0	0	112.1	V252 H332 Y334 F406 P434	V252-Y330 WeakPolarHBondContact CG1-OH 3.46Å; Y330-H332 PolarHBondContact O-CD2 3.04Å; Y330-H332 PolarHBondContact O-N 3.08Å; Y330-Y334 PolarHBondContact N-OH 3.33Å; Y330-Y334 VanDerWaalsContact N-OH 3.14Å; Y330-Y334 PolarHBondContact O-OH 3.01Å; Y330-F406 HydrophobicContact CD2-CD2 4.46Å; Y330-F406 AromaticContact CD2-CE1 3.84Å; Y330-F406 HydrophobicContact CD2-CE1 3.84Å; Y330-F406 AromaticContact CD2-CE2 3.67Å; Y330-F406 HydrophobicContact CD2-CE2 3.67Å; Y330-F406 AromaticContact CD2-CZ 3.32Å; Y330-F406 HydrophobicContact CD2-CZ 3.32Å; Y330-F406 AromaticContact CE2-CE1 3.81Å; Y330-F406 HydrophobicContact CE2-CE1 3.81Å; Y330-F406 HydrophobicContact CE2-CE2 4.27Å; Y330-F406 AromaticContact CE2-CZ 3.47Å; Y330-F406 HydrophobicContact CE2-CZ 3.47Å; Y330-F406 VanDerWaalsContact CE2-CZ 3.47Å; Y330-P434 HydrophobicContact CD1-CG 4.45Å; Y330-P434 HydrophobicContact CD2-CB 4.18Å; Y330-P434 HydrophobicContact CD2-CG 3.79Å; Y330-P434 HydrophobicContact CE2-CG 4.24Å; Y330-P434 HydrophobicContact CG-CB 4.29Å; Y330-P434 HydrophobicContact CG-CG 3.94Å
331	L	86.4	Confident	95.6	Very high	35 Å²	35	31.7 Å²	31.7	18%	0.183	15%	0.152	C	C	.	.	S	Bend	trans	58.2	4.9	171.1	-58.3	-178.2	0	0	0	119.2	A254 F406 P407	A254-L331 HydrophobicContact CB-CB 4.48Å; A254-L331 HydrophobicContact CB-CD1 3.94Å; A254-L331 HydrophobicContact CB-CD2 3.27Å; A254-L331 HydrophobicContact CB-CG 4.05Å; L331-F406 HydrophobicContact CD2-CD1 3.98Å; L331-F406 HydrophobicContact CD2-CE1 3.81Å; L331-F406 VanDerWaalsContact N-CD1 3.33Å; L331-F406 VanDerWaalsContact N-CG 3.34Å; L331-P407 VanDerWaalsContact O-CG 3.32Å; L331-P407 WeakPolarHBondContact O-CG 3.39Å
332	H	88.7	Confident	95.3	Very high	111 Å²	111	29.6 Å²	29.6	51%	0.514	16%	0.157	S	C	.	.	S	Bend	trans	-128.7	-179.5	177.7	-58.2	-59.9	0	0	0	112.5	Y330 Y334 F406	Y330-H332 PolarHBondContact O-CD2 3.04Å; Y330-H332 PolarHBondContact O-N 3.08Å; H332-Y334 HydrophobicContact CB-CE1 4.29Å; H332-Y334 HydrophobicContact CB-CE2 3.75Å; H332-Y334 PolarHBondContact CD2-OH 3.43Å; H332-Y334 WeakPolarHBondContact O-CD2 3.31Å; H332-Y334 VanDerWaalsContact O-CE2 3.31Å; H332-Y334 WeakPolarHBondContact O-CE2 3.36Å; H332-F406 VanDerWaalsContact O-CB 3.25Å; H332-F406 WeakPolarHBondContact O-CB 3.2Å; H332-F406 PolarHBondContact O-N 3.28Å; H332-F406 VanDerWaalsContact O-N 3.11Å
333	R	93.5	Very high	95	Very high	40 Å²	40	30.5 Å²	30.5	15%	0.151	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	137.9	168.3	-72	173.1	176.2	-177.2	-0.5	108.8	K264 P265 E266 Y276 Y403 V404 N405	K264-R333 PolarHBondContact O-NH1 2.8Å; K264-R333 VanDerWaalsContact O-NH1 3.11Å; K264-R333 PolarHBondContact O-NH2 2.73Å; P265-R333 PolarHBondContact O-NH1 2.95Å; E266-R333 IonicContact OE1-NH2 2.85Å; E266-R333 IonicContact OE2-NH2 3.57Å; Y276-R333 HydrophobicContact CD1-CB 3.43Å; Y276-R333 VanDerWaalsContact CD1-CB 3.43Å; Y276-R333 HydrophobicContact CD1-CG 4.49Å; Y276-R333 HydrophobicContact CE1-CB 3.74Å; Y276-R333 HydrophobicContact CE1-CG 4.36Å; Y276-R333 HydrophobicContact CG-CB 3.86Å; Y276-R333 PolarHBondContact OH-NH1 2.85Å; Y276-R333 VanDerWaalsContact OH-NH1 3.13Å; R333-Y403 HydrophobicContact CB-CE2 4.14Å; R333-Y403 WeakPolarHBondContact CD-OH 3.12Å; R333-Y403 HydrophobicContact CG-CE2 4.37Å; R333-Y403 PolarHBondContact NE-OH 2.73Å; R333-V404 CarbonylContact C-O 3.53Å; R333-V404 WeakPolarHBondContact CA-O 3.36Å; R333-N405 HydrophobicContact CG-CB 4.03Å
334	Y	95.6	Very high	94.8	Very high	39 Å²	39	30.5 Å²	30.5	15%	0.153	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	147.8	-175.9	-56.9	-85.8	0	0	0	110.3	Y276 C278 L329 Y330 H332 Y403 V404	Y276-Y334 CarbonylContact O-C 3.58Å; Y276-Y334 WeakPolarHBondContact O-CA 3.31Å; C278-Y334 HydrophobicContact CB-CD1 4.15Å; L329-Y334 HydrophobicContact CB-CD2 3.76Å; L329-Y334 HydrophobicContact CB-CE2 3.77Å; L329-Y334 HydrophobicContact CB-CG 4.2Å; L329-Y334 HydrophobicContact CD1-CD2 4.47Å; L329-Y334 HydrophobicContact CD1-CG 4.34Å; L329-Y334 HydrophobicContact CD2-CD1 3.72Å; L329-Y334 HydrophobicContact CD2-CD2 4.27Å; L329-Y334 HydrophobicContact CD2-CE1 4.05Å; L329-Y334 HydrophobicContact CD2-CG 3.82Å; L329-Y334 HydrophobicContact CG-CD2 4.38Å; L329-Y334 HydrophobicContact CG-CG 4.34Å; Y330-Y334 PolarHBondContact N-OH 3.33Å; Y330-Y334 VanDerWaalsContact N-OH 3.14Å; Y330-Y334 PolarHBondContact O-OH 3.01Å; H332-Y334 HydrophobicContact CB-CE1 4.29Å; H332-Y334 HydrophobicContact CB-CE2 3.75Å; H332-Y334 PolarHBondContact CD2-OH 3.43Å; H332-Y334 WeakPolarHBondContact O-CD2 3.31Å; H332-Y334 VanDerWaalsContact O-CE2 3.31Å; H332-Y334 WeakPolarHBondContact O-CE2 3.36Å; Y334-Y403 WeakPolarHBondContact O-CA 3.42Å; Y334-Y403 WeakPolarHBondContact O-CD2 3.32Å; Y334-V404 HydrophobicContact CD2-CB 4.49Å; Y334-V404 PolarHBondContact N-O 2.82Å; Y334-V404 PolarHBondContact O-N 3.37Å
335	Y	97.1	Very high	94.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	133.3	175.8	-178.9	-106.7	0	0	0	110.6	F273 L274 Y276 A277 C278 E337 I402 M421 L453	F273-Y335 HydrophobicContact CB-CD1 3.94Å; F273-Y335 HydrophobicContact CB-CD2 3.83Å; F273-Y335 HydrophobicContact CB-CE1 4Å; F273-Y335 HydrophobicContact CB-CE2 3.88Å; F273-Y335 HydrophobicContact CB-CG 3.84Å; F273-Y335 AromaticContact CD1-CD2 3.77Å; F273-Y335 HydrophobicContact CD1-CD2 3.77Å; F273-Y335 HydrophobicContact CD1-CE2 4.03Å; F273-Y335 HydrophobicContact CD1-CG 4.41Å; F273-Y335 HydrophobicContact CG-CD2 4.09Å; F273-Y335 HydrophobicContact CG-CE2 4.05Å; F273-Y335 WeakPolarHBondContact O-CB 3.39Å; L274-Y335 HydrophobicContact CD2-CD1 4.26Å; L274-Y335 HydrophobicContact CD2-CE1 4.09Å; Y276-Y335 PolarHBondContact O-N 2.95Å; A277-Y335 CarbonylContact C-O 3.55Å; A277-Y335 VanDerWaalsContact CA-O 3.32Å; A277-Y335 WeakPolarHBondContact CA-O 3.25Å; C278-Y335 PolarHBondContact N-O 2.83Å; C278-Y335 PolarHBondContact SG-O 3.27Å; Y335-E337 HydrophobicContact CE1-CG 3.73Å; Y335-E337 WeakPolarHBondContact CE1-OE1 3.44Å; Y335-E337 VanDerWaalsContact OH-CG 3.23Å; Y335-E337 WeakPolarHBondContact OH-CG 3.23Å; Y335-E337 PolarHBondContact OH-OE1 2.94Å; Y335-I402 VanDerWaalsContact CA-O 3.31Å; Y335-I402 WeakPolarHBondContact CA-O 3.5Å; Y335-I402 WeakPolarHBondContact CD2-O 3.21Å; Y335-M421 HydrophobicContact CE2-CE 3.95Å; Y335-M421 WeakPolarHBondContact OH-CE 3.41Å; Y335-L453 HydrophobicContact CE1-CD2 4.34Å
336	F	97.3	Very high	94.7	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.009	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	155.7	171.2	63.4	-84.1	0	0	0	110.3	I280 L329 V338 I402 A437 F439	I280-F336 HydrophobicContact CD1-CD1 4.47Å; I280-F336 HydrophobicContact CG1-CB 3.85Å; I280-F336 HydrophobicContact CG1-CD1 3.91Å; I280-F336 HydrophobicContact CG1-CD2 4.1Å; I280-F336 HydrophobicContact CG1-CE1 4.49Å; I280-F336 HydrophobicContact CG1-CG 3.69Å; L329-F336 HydrophobicContact CD1-CE1 4.35Å; F336-V338 HydrophobicContact CD2-CG1 3.95Å; F336-V338 HydrophobicContact CE2-CG1 4Å; F336-I402 HydrophobicContact CD1-CB 4.21Å; F336-I402 HydrophobicContact CD1-CG2 4.45Å; F336-I402 HydrophobicContact CD2-CB 4.35Å; F336-I402 HydrophobicContact CD2-CD1 4.1Å; F336-I402 HydrophobicContact CE1-CB 3.78Å; F336-I402 HydrophobicContact CE1-CG2 3.63Å; F336-I402 HydrophobicContact CE2-CB 3.94Å; F336-I402 HydrophobicContact CE2-CD1 3.74Å; F336-I402 HydrophobicContact CE2-CG1 4.03Å; F336-I402 HydrophobicContact CE2-CG2 4.4Å; F336-I402 HydrophobicContact CG-CB 4.48Å; F336-I402 HydrophobicContact CZ-CB 3.62Å; F336-I402 HydrophobicContact CZ-CD1 4.27Å; F336-I402 HydrophobicContact CZ-CG1 4.03Å; F336-I402 HydrophobicContact CZ-CG2 3.6Å; F336-I402 PolarHBondContact N-O 2.8Å; F336-I402 VanDerWaalsContact N-O 3.11Å; F336-I402 PolarHBondContact O-N 3.14Å; F336-A437 HydrophobicContact CE1-CB 4.27Å; F336-A437 HydrophobicContact CE2-CB 4.16Å; F336-A437 HydrophobicContact CZ-CB 3.63Å; F336-F439 HydrophobicContact CE2-CZ 4.34Å
337	E	97.3	Very high	94.8	Very high	1 Å²	1	27 Å²	27	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	144.6	-179.4	-71.7	176.9	-172.6	0	0	110.9	R270 Y335 R399 L400 V416 V451 L453	R270-E337 IonicContact CZ-OE1 3.99Å; R270-E337 IonicContact CZ-OE2 3.09Å; R270-E337 IonicContact NE-OE1 2.85Å; R270-E337 PolarHBondContact NE-OE1 3.23Å; R270-E337 IonicContact NE-OE2 3.48Å; R270-E337 IonicContact NH2-OE1 3.1Å; R270-E337 PolarHBondContact NH2-OE1 3.1Å; R270-E337 IonicContact NH2-OE2 2.8Å; R270-E337 PolarHBondContact NH2-OE2 2.95Å; Y335-E337 HydrophobicContact CE1-CG 3.73Å; Y335-E337 WeakPolarHBondContact CE1-OE1 3.44Å; Y335-E337 VanDerWaalsContact OH-CG 3.23Å; Y335-E337 WeakPolarHBondContact OH-CG 3.23Å; Y335-E337 PolarHBondContact OH-OE1 2.94Å; E337-R399 HydrophobicContact CB-CG 4.46Å; E337-R399 WeakPolarHBondContact OE2-CD 3.4Å; E337-R399 IonicContact OE2-NH1 2.65Å; E337-L400 CarbonylContact C-O 3.48Å; E337-L400 VanDerWaalsContact CA-O 3.25Å; E337-L400 WeakPolarHBondContact CA-O 3.32Å; E337-V416 HydrophobicContact CG-CG2 4.46Å; E337-V451 HydrophobicContact CB-CB 3.86Å; E337-V451 HydrophobicContact CB-CG1 4.38Å; E337-V451 HydrophobicContact CB-CG2 4.14Å; E337-V451 PolarHBondContact O-N 3Å; E337-L453 HydrophobicContact CB-CD2 3.85Å; E337-L453 HydrophobicContact CG-CD2 3.79Å
338	V	97.5	Very high	94.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	147.6	174.5	-55.8	0	0	0	0	111.4	F336 L340 V347 R399 L400 I402 F439 I448 R449 I450	F336-V338 HydrophobicContact CD2-CG1 3.95Å; F336-V338 HydrophobicContact CE2-CG1 4Å; V338-L340 HydrophobicContact CG2-CD2 4.17Å; V338-V347 HydrophobicContact CG2-CG1 4.28Å; V338-V347 HydrophobicContact CG2-CG2 4.24Å; V338-R399 CarbonylContact O-C 3.52Å; V338-R399 VanDerWaalsContact O-CA 3.32Å; V338-R399 WeakPolarHBondContact O-CA 3.42Å; V338-L400 HydrophobicContact CG2-CB 4.07Å; V338-L400 PolarHBondContact N-O 3.34Å; V338-L400 PolarHBondContact O-N 3.43Å; V338-I402 HydrophobicContact CB-CD1 4.48Å; V338-I402 HydrophobicContact CG1-CD1 4.17Å; V338-I402 HydrophobicContact CG2-CD1 3.68Å; V338-F439 HydrophobicContact CG1-CE1 4.12Å; V338-I448 HydrophobicContact CB-CG2 4.08Å; V338-I448 HydrophobicContact CG1-CG2 4.47Å; V338-R449 CarbonylContact C-O 3.57Å; V338-R449 WeakPolarHBondContact CA-O 3.41Å; V338-I450 HydrophobicContact CG1-CG1 4.22Å
339	E	97.2	Very high	95	Very high	16 Å²	16	21.6 Å²	21.6	8%	0.075	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.5	170	-75	171.9	-175.3	0	0	110.5	R398 R399 I448 R449 V451	E339-R398 CarbonylContact C-O 3.59Å; E339-R398 WeakPolarHBondContact CA-O 3.31Å; E339-R398 IonicContact OE2-NH2 3.08Å; E339-R399 HydrophobicContact CG-CB 4.1Å; E339-R399 HydrophobicContact CG-CG 4.15Å; E339-R399 IonicContact OE1-CZ 3.86Å; E339-R399 IonicContact OE1-NE 2.84Å; E339-R399 PolarHBondContact OE1-NE 2.97Å; E339-R399 IonicContact OE1-NH2 3.79Å; E339-R399 PolarHBondContact OE1-NH2 2.9Å; E339-I448 VanDerWaalsContact O-CA 3.32Å; E339-I448 WeakPolarHBondContact O-CA 3.44Å; E339-R449 HydrophobicContact CB-CB 4.39Å; E339-R449 PolarHBondContact N-O 3.42Å; E339-R449 PolarHBondContact O-N 3.33Å; E339-R449 IonicContact OE1-CZ 3.22Å; E339-R449 IonicContact OE1-NH2 2.71Å; E339-R449 PolarHBondContact OE1-NH2 2.96Å; E339-R449 IonicContact OE2-CZ 3.53Å; E339-R449 IonicContact OE2-NE 2.68Å; E339-R449 PolarHBondContact OE2-NE 2.94Å; E339-R449 IonicContact OE2-NH2 3.03Å; E339-R449 PolarHBondContact OE2-NH2 3.42Å; E339-R449 VanDerWaalsContact OE2-NH2 3.1Å; E339-V451 HydrophobicContact CG-CG2 3.82Å
340	L	96.2	Very high	95.2	Very high	13 Å²	13	21.4 Å²	21.4	7%	0.068	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	146.2	179.1	-54.4	-175.4	0	0	0	110.9	V338 V347 W376 F381 R398 L400 I448	V338-L340 HydrophobicContact CG2-CD2 4.17Å; L340-V347 HydrophobicContact CD2-CG2 3.62Å; L340-W376 HydrophobicContact CD1-CB 4.32Å; L340-F381 HydrophobicContact CD1-CE1 4.27Å; L340-R398 PolarHBondContact N-O 3.37Å; L340-L400 HydrophobicContact CD1-CD1 3.56Å; L340-L400 HydrophobicContact CD1-CG 4.01Å; L340-L400 HydrophobicContact CG-CD1 4.27Å; L340-L400 HydrophobicContact CG-CG 4.37Å; L340-I448 HydrophobicContact CD2-CD1 4.25Å; L340-I448 HydrophobicContact CD2-CG1 3.91Å; L340-I448 HydrophobicContact CD2-CG2 4.28Å
341	S	95.1	Very high	95.3	Very high	54 Å²	54	19.1 Å²	19.1	38%	0.378	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	126.6	171.5	-66.7	0	0	0	0	110.4	N446 A447	S341-N446 WeakPolarHBondContact O-CA 3.35Å; S341-A447 PolarHBondContact N-O 3.01Å; S341-A447 PolarHBondContact O-N 3.4Å
342	G	91	Very high	95.6	Very high	40 Å²	40	24.1 Å²	24.1	41%	0.412	13%	0.13	S	C	.	.	S	Bend	trans	87.2	148.6	-179.5	0	0	0	0	0	114.5
343	G	92.5	Very high	95.7	Very high	20 Å²	20	21.7 Å²	21.7	21%	0.206	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	129.2	174.1	0	0	0	0	0	111.3	K443 N446	G343-K443 VanDerWaalsContact O-CD 3.22Å; G343-K443 WeakPolarHBondContact O-CD 3.5Å; G343-K443 PolarHBondContact O-NZ 3.28Å; G343-N446 PolarHBondContact O-ND2 3.39Å
344	G	93.7	Very high	95.8	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	122.5	8	-175.4	0	0	0	0	0	114.7	W376 S442 N446	G344-W376 PolarHBondContact N-O 3.47Å; G344-S442 WeakPolarHBondContact CA-OG 3.2Å; G344-S442 WeakPolarHBondContact O-CB 3.46Å; G344-S442 PolarHBondContact O-N 3.36Å; G344-S442 VanDerWaalsContact O-N 3.11Å; G344-S442 PolarHBondContact O-OG 3.3Å; G344-N446 WeakPolarHBondContact CA-OD1 3.48Å; G344-N446 PolarHBondContact O-OD1 3.5Å
345	T	97.6	Very high	95.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	135.1	179.5	52.9	0	0	0	0	111.4	H375 W376 W440 N446 I448	T345-H375 WeakPolarHBondContact O-CA 3.2Å; T345-W376 PolarHBondContact O-N 2.84Å; T345-W440 CarbonylContact C-O 3.55Å; T345-W440 WeakPolarHBondContact CA-O 3.48Å; T345-N446 HydrophobicContact CG2-CB 3.84Å; T345-I448 HydrophobicContact CG2-CD1 4.34Å; T345-I448 HydrophobicContact CG2-CG1 4.13Å
346	Y	98.2	Very high	95.8	Very high	21 Å²	21	23.1 Å²	23.1	8%	0.082	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	140	169	-54.9	-123.1	0	0	0	110.3	I374 H375 W384 F439 W440	Y346-I374 CarbonylContact C-O 3.47Å; Y346-I374 WeakPolarHBondContact CA-O 3.42Å; Y346-H375 HydrophobicContact CD1-CB 3.56Å; Y346-H375 AromaticContact CD1-CG 3.99Å; Y346-H375 HydrophobicContact CD2-CB 4.48Å; Y346-H375 AromaticContact CD2-CD2 3.57Å; Y346-H375 HydrophobicContact CE1-CB 3.42Å; Y346-H375 VanDerWaalsContact CE1-CB 3.42Å; Y346-H375 AromaticContact CE1-CD2 3.86Å; Y346-H375 AromaticContact CE1-CG 3.52Å; Y346-H375 HydrophobicContact CE2-CB 4.35Å; Y346-H375 AromaticContact CE2-CD2 3.15Å; Y346-H375 WeakPolarHBondContact CE2-CD2 3.32Å; Y346-H375 AromaticContact CE2-CG 3.72Å; Y346-H375 AromaticContact CE2-NE2 3.53Å; Y346-H375 HydrophobicContact CG-CB 4.07Å; Y346-H375 AromaticContact CZ-CD2 3.29Å; Y346-H375 AromaticContact CZ-CE1 3.87Å; Y346-H375 AromaticContact CZ-CG 3.33Å; Y346-H375 AromaticContact CZ-ND1 3.72Å; Y346-H375 AromaticContact CZ-NE2 3.68Å; Y346-H375 PolarHBondContact OH-CE1 3.32Å; Y346-H375 PolarHBondContact OH-ND1 2.85Å; Y346-W384 AromaticContact CE1-CD1 3.88Å; Y346-W384 HydrophobicContact CE1-CG 4.35Å; Y346-W384 AromaticContact CE1-NE1 3.95Å; Y346-F439 WeakPolarHBondContact O-CA 3.39Å; Y346-W440 AromaticContact CD1-CE3 3.79Å; Y346-W440 HydrophobicContact CD1-CE3 3.79Å; Y346-W440 HydrophobicContact CD1-CZ3 4.01Å; Y346-W440 HydrophobicContact CD2-CB 4.25Å; Y346-W440 AromaticContact CD2-CD2 3.75Å; Y346-W440 HydrophobicContact CD2-CD2 3.75Å; Y346-W440 AromaticContact CD2-CE3 3.39Å; Y346-W440 HydrophobicContact CD2-CE3 3.39Å; Y346-W440 HydrophobicContact CD2-CG 4.17Å; Y346-W440 AromaticContact CD2-CZ3 3.93Å; Y346-W440 HydrophobicContact CD2-CZ3 3.93Å; Y346-W440 AromaticContact CE1-CE3 3.9Å; Y346-W440 HydrophobicContact CE1-CE3 3.9Å; Y346-W440 AromaticContact CE1-CZ3 3.64Å; Y346-W440 HydrophobicContact CE1-CZ3 3.64Å; Y346-W440 HydrophobicContact CE2-CD2 4.01Å; Y346-W440 AromaticContact CE2-CE3 3.54Å; Y346-W440 HydrophobicContact CE2-CE3 3.54Å; Y346-W440 HydrophobicContact CE2-CH2 4.03Å; Y346-W440 HydrophobicContact CE2-CZ2 4.44Å; Y346-W440 AromaticContact CE2-CZ3 3.56Å; Y346-W440 HydrophobicContact CE2-CZ3 3.56Å; Y346-W440 HydrophobicContact CG-CB 4.36Å; Y346-W440 HydrophobicContact CG-CD2 4.24Å; Y346-W440 AromaticContact CG-CE3 3.57Å; Y346-W440 HydrophobicContact CG-CE3 3.57Å; Y346-W440 HydrophobicContact CG-CZ3 4.18Å; Y346-W440 AromaticContact CZ-CE3 3.82Å; Y346-W440 AromaticContact CZ-CH2 4Å; Y346-W440 AromaticContact CZ-CZ3 3.43Å; Y346-W440 VanDerWaalsContact CZ-CZ3 3.43Å; Y346-W440 PolarHBondContact N-O 3.49Å; Y346-W440 PolarHBondContact O-N 3.25Å
347	V	98.3	Very high	95.8	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	135.1	174.5	-178.5	0	0	0	0	108.8	V338 L340 S373 I374 I402 F413 F439 I448	V338-V347 HydrophobicContact CG2-CG1 4.28Å; V338-V347 HydrophobicContact CG2-CG2 4.24Å; L340-V347 HydrophobicContact CD2-CG2 3.62Å; V347-S373 CarbonylContact O-C 3.55Å; V347-S373 VanDerWaalsContact O-CA 3.28Å; V347-S373 WeakPolarHBondContact O-CA 3.47Å; V347-I374 HydrophobicContact CB-CG2 4.45Å; V347-I374 PolarHBondContact N-O 2.64Å; V347-I374 PolarHBondContact O-N 3.09Å; V347-I402 HydrophobicContact CG1-CD1 4.13Å; V347-I402 HydrophobicContact CG1-CG1 4.18Å; V347-F413 HydrophobicContact CG1-CE1 4.35Å; V347-F413 WeakPolarHBondContact O-CE1 3.39Å; V347-F439 HydrophobicContact CG1-CD1 4.14Å; V347-F439 HydrophobicContact CG1-CE1 3.97Å; V347-F439 HydrophobicContact CG2-CD1 4.19Å; V347-I448 HydrophobicContact CG2-CD1 4Å
348	G	97.8	Very high	95.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	-164.8	-173.5	0	0	0	0	0	114.9	W372 A437 A438	G348-W372 CarbonylContact C-O 3.57Å; G348-W372 WeakPolarHBondContact CA-O 3.33Å; G348-A437 WeakPolarHBondContact O-CA 3.49Å; G348-A438 PolarHBondContact N-O 3Å; G348-A438 PolarHBondContact O-N 3.35Å
349	L	98.1	Very high	95.4	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	148.5	170.8	-63.6	-179.4	0	0	0	109.8	L329 S371 W372 V404 L411 F431 V435 Y436	L329-L349 HydrophobicContact CD1-CD2 4.21Å; L349-S371 VanDerWaalsContact O-CA 3.25Å; L349-S371 WeakPolarHBondContact O-CA 3.36Å; L349-S371 WeakPolarHBondContact O-CB 3.36Å; L349-W372 PolarHBondContact N-O 3.34Å; L349-W372 PolarHBondContact O-N 3.43Å; L349-W372 VanDerWaalsContact O-N 3.11Å; L349-V404 HydrophobicContact CD1-CG1 3.93Å; L349-V404 HydrophobicContact CD1-CG2 3.81Å; L349-V404 HydrophobicContact CD2-CG2 4.33Å; L349-L411 HydrophobicContact CB-CD2 4.42Å; L349-L411 HydrophobicContact CD1-CB 4.42Å; L349-L411 HydrophobicContact CD1-CD1 3.82Å; L349-L411 HydrophobicContact CD1-CD2 4.02Å; L349-L411 HydrophobicContact CD1-CG 4.3Å; L349-L411 HydrophobicContact CG-CD1 4.08Å; L349-L411 HydrophobicContact CG-CD2 4.05Å; L349-F431 HydrophobicContact CD1-CE1 4.02Å; L349-F431 HydrophobicContact CD1-CZ 3.96Å; L349-V435 HydrophobicContact CB-CB 4.34Å; L349-V435 HydrophobicContact CD1-CB 4.45Å; L349-V435 HydrophobicContact CD1-CG2 3.91Å; L349-V435 HydrophobicContact CD2-CG2 4.35Å; L349-Y436 VanDerWaalsContact CA-O 3.3Å; L349-Y436 WeakPolarHBondContact CA-O 3.27Å
350	T	97.4	Very high	95.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	168.3	170	-163.5	0	0	0	0	111.2	L324 I354 S371 V435 Y436 A438	L324-T350 HydrophobicContact CD1-CG2 4.32Å; L324-T350 HydrophobicContact CD2-CG2 3.65Å; T350-I354 HydrophobicContact CG2-CB 4.46Å; T350-I354 HydrophobicContact CG2-CD1 4.42Å; T350-I354 HydrophobicContact CG2-CG2 4.02Å; T350-S371 WeakPolarHBondContact CB-OG 3.41Å; T350-S371 PolarHBondContact OG1-OG 3.38Å; T350-V435 CarbonylContact O-C 3.58Å; T350-V435 WeakPolarHBondContact O-CA 3.41Å; T350-Y436 PolarHBondContact N-O 2.96Å; T350-Y436 PolarHBondContact O-N 3.13Å; T350-A438 HydrophobicContact CG2-CB 3.71Å
351	C	94.5	Very high	95.1	Very high	8 Å²	8	43.9 Å²	43.9	5%	0.054	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	157.8	174.3	-64.7	0	0	0	0	111.3	G353 I354 F370	C351-G353 PolarHBondContact O-N 3.41Å; C351-G353 VanDerWaalsContact O-N 3.08Å; C351-I354 PolarHBondContact O-N 3.01Å; C351-I354 VanDerWaalsContact O-N 3.14Å; C351-F370 HydrophobicContact CB-CD2 4.05Å
352	K	93.3	Very high	94.9	Very high	140 Å²	140	45.4 Å²	45.4	61%	0.609	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-33	177.6	-170	171.5	-178.3	171.5	0	112.3	I354 R356 Y436	K352-I354 VanDerWaalsContact C-N 3.26Å; K352-I354 PolarHBondContact O-N 3.02Å; K352-R356 PolarHBondContact O-NH2 3.47Å; K352-Y436 HydrophobicContact CB-CD2 4.4Å; K352-Y436 HydrophobicContact CB-CE2 3.78Å; K352-Y436 HydrophobicContact CG-CE2 4.38Å
353	G	91.2	Very high	95.1	Very high	61 Å²	61	43.5 Å²	43.5	63%	0.629	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	1.4	-178	0	0	0	0	0	116.6	C351 D355	C351-G353 PolarHBondContact O-N 3.41Å; C351-G353 VanDerWaalsContact O-N 3.08Å; G353-D355 PolarHBondContact O-N 3.11Å
354	I	95.5	Very high	95.2	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.015	22%	0.215	C	C	.	.	S	Bend	trans	-55	131	173.4	-167.2	170.3	0	0	0	110.4	F317 L324 T350 C351 K352 R356 I365 F370	F317-I354 HydrophobicContact CE1-CD1 4.49Å; F317-I354 HydrophobicContact CE1-CG2 4.18Å; F317-I354 HydrophobicContact CZ-CG2 3.84Å; L324-I354 HydrophobicContact CD1-CG2 4.39Å; T350-I354 HydrophobicContact CG2-CB 4.46Å; T350-I354 HydrophobicContact CG2-CD1 4.42Å; T350-I354 HydrophobicContact CG2-CG2 4.02Å; C351-I354 PolarHBondContact O-N 3.01Å; C351-I354 VanDerWaalsContact O-N 3.14Å; K352-I354 VanDerWaalsContact C-N 3.26Å; K352-I354 PolarHBondContact O-N 3.02Å; I354-R356 VanDerWaalsContact O-CD 3.25Å; I354-R356 WeakPolarHBondContact O-CD 3.46Å; I354-R356 PolarHBondContact O-N 3.48Å; I354-R356 PolarHBondContact O-NE 3.23Å; I354-I365 HydrophobicContact CD1-CG2 3.96Å; I354-F370 HydrophobicContact CB-CE2 3.94Å; I354-F370 HydrophobicContact CG1-CE2 4.21Å
355	D	95.3	Very high	95.4	Very high	74 Å²	74	42.6 Å²	42.6	40%	0.396	22%	0.215	S	C	.	.			trans	-65.1	124.3	179.3	-177.7	2.3	0	0	0	110	G353 K357 G358 S363	G353-D355 PolarHBondContact O-N 3.11Å; D355-K357 PolarHBondContact OD1-N 2.79Å; D355-G358 PolarHBondContact OD1-N 2.95Å; D355-G358 WeakPolarHBondContact OD2-CA 3.34Å; D355-G358 PolarHBondContact OD2-N 3.41Å; D355-S363 WeakPolarHBondContact O-CB 3.36Å
356	R	97.7	Very high	95.3	Very high	31 Å²	31	42.6 Å²	42.6	12%	0.117	22%	0.216	C	C	.	.	S	Bend	trans	-88.4	-19.6	-176.6	-48.1	-55.6	173.7	89.5	-1.5	112.1	S315 F317 L318 K352 I354	S315-R356 WeakPolarHBondContact O-CG 3.4Å; S315-R356 PolarHBondContact O-NH1 2.93Å; F317-R356 CarbonylContact C-O 3.45Å; F317-R356 VanDerWaalsContact CA-O 3.29Å; F317-R356 WeakPolarHBondContact CA-O 3.2Å; F317-R356 HydrophobicContact CD1-CB 4.35Å; L318-R356 PolarHBondContact N-O 3.04Å; K352-R356 PolarHBondContact O-NH2 3.47Å; I354-R356 VanDerWaalsContact O-CD 3.25Å; I354-R356 WeakPolarHBondContact O-CD 3.46Å; I354-R356 PolarHBondContact O-N 3.48Å; I354-R356 PolarHBondContact O-NE 3.23Å
357	K	97.3	Very high	94.9	Very high	79 Å²	79	42 Å²	42	34%	0.343	22%	0.215	S	C	.	.	S	Bend	trans	-114.6	-9.5	-169.1	-51.4	-56.3	179.5	-176.5	0	113	L313 P314 R316 L318 H319 D355	L313-K357 PolarHBondContact O-NZ 2.9Å; P314-K357 WeakPolarHBondContact O-CE 3.43Å; R316-K357 WeakPolarHBondContact O-CE 3.48Å; R316-K357 PolarHBondContact O-NZ 3.21Å; L318-K357 HydrophobicContact CB-CD 3.89Å; L318-K357 HydrophobicContact CD2-CD 4.34Å; H319-K357 PolarHBondContact CD2-O 3.12Å; H319-K357 PolarHBondContact NE2-O 3.35Å; D355-K357 PolarHBondContact OD1-N 2.79Å
358	G	91.9	Very high	94.6	Very high	13 Å²	13	42.4 Å²	42.4	13%	0.134	22%	0.217	C	C	.	.			trans	-69.3	143.2	178.7	0	0	0	0	0	114	W320 D355 S363	W320-G358 PolarHBondContact NE1-O 2.94Å; D355-G358 PolarHBondContact OD1-N 2.95Å; D355-G358 WeakPolarHBondContact OD2-CA 3.34Å; D355-G358 PolarHBondContact OD2-N 3.41Å; G358-S363 VanDerWaalsContact CA-OG 3.32Å; G358-S363 WeakPolarHBondContact CA-OG 3.47Å
359	E	94.4	Very high	94.3	Very high	139 Å²	139	46.3 Å²	46.3	65%	0.65	25%	0.245	S	C	*	.			trans	-85	-24.6	173.6	-66	-169.8	-170.5	0	0	112.3	H319 W320	H319-E359 WeakPolarHBondContact CE1-CG 3.32Å; H319-E359 IonicContact CE1-OE1 2.96Å; H319-E359 PolarHBondContact CE1-OE1 2.87Å; H319-E359 IonicContact ND1-OE1 3.52Å; H319-E359 VanDerWaalsContact NE2-CG 3.33Å; H319-E359 WeakPolarHBondContact NE2-CG 3.3Å; H319-E359 IonicContact NE2-OE1 2.81Å; W320-E359 WeakPolarHBondContact CZ2-O 3.14Å
360	E	94.3	Very high	94.1	Very high	141 Å²	141	49.5 Å²	49.5	66%	0.659	26%	0.259	S	S	*	.	S	Bend	trans	-75.9	160.9	-175.5	-64.6	-63.6	165.5	0	0	112.6	W320 N362 S363	W320-E360 PolarHBondContact NE1-O 2.77Å; E360-N362 VanDerWaalsContact CB-OD1 3.3Å; E360-N362 WeakPolarHBondContact CB-OD1 3.44Å; E360-N362 PolarHBondContact O-N 2.89Å; E360-N362 PolarHBondContact O-OD1 3.39Å; E360-S363 WeakPolarHBondContact O-CB 3.37Å; E360-S363 PolarHBondContact O-N 3.45Å
361	R	92.6	Very high	94	Very high	96 Å²	96	49.5 Å²	49.5	36%	0.362	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-62.1	-24.2	-177	-68.3	-177.1	58.4	84.2	4.3	114.1	W320 S363 C364 G367 D387	W320-R361 HydrophobicContact CH2-CG 4.41Å; W320-R361 HydrophobicContact CZ2-CG 4.48Å; R361-S363 PolarHBondContact O-N 2.95Å; R361-S363 VanDerWaalsContact O-N 3.09Å; R361-C364 PolarHBondContact O-N 3Å; R361-C364 PolarHBondContact O-SG 2.81Å; R361-G367 WeakPolarHBondContact O-CA 3.19Å; R361-D387 IonicContact CZ-OD1 3.82Å; R361-D387 VanDerWaalsContact CZ-OD1 3.22Å; R361-D387 IonicContact NE-OD1 3.55Å; R361-D387 PolarHBondContact NE-OD1 2.98Å; R361-D387 IonicContact NH2-OD1 3.56Å; R361-D387 PolarHBondContact NH2-OD1 3.32Å
362	N	90.8	Very high	94.2	Very high	87 Å²	87	49.7 Å²	49.7	47%	0.465	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-59.3	-21.5	174.4	67.5	-20.8	0	0	0	113.2	E360 G367 N368	E360-N362 VanDerWaalsContact CB-OD1 3.3Å; E360-N362 WeakPolarHBondContact CB-OD1 3.44Å; E360-N362 PolarHBondContact O-N 2.89Å; E360-N362 PolarHBondContact O-OD1 3.39Å; N362-G367 WeakPolarHBondContact CA-O 3.34Å; N362-N368 PolarHBondContact O-ND2 3.4Å
363	S	94.7	Very high	94.4	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-89.5	-5.4	179.4	-55.7	0	0	0	0	113.4	Q322 D355 G358 E360 R361	Q322-S363 PolarHBondContact NE2-O 3.44Å; D355-S363 WeakPolarHBondContact O-CB 3.36Å; G358-S363 VanDerWaalsContact CA-OG 3.32Å; G358-S363 WeakPolarHBondContact CA-OG 3.47Å; E360-S363 WeakPolarHBondContact O-CB 3.37Å; E360-S363 PolarHBondContact O-N 3.45Å; R361-S363 PolarHBondContact O-N 2.95Å; R361-S363 VanDerWaalsContact O-N 3.09Å
364	C	96	Very high	94.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-101.4	155.2	170.7	79.5	0	0	0	0	112	W320 Q322 R361 S366 G367 N368 W440	W320-C364 HydrophobicContact CD2-CB 3.55Å; W320-C364 HydrophobicContact CE3-CB 3.7Å; W320-C364 HydrophobicContact CG-CB 3.93Å; W320-C364 HydrophobicContact CH2-CB 4.4Å; W320-C364 HydrophobicContact CZ2-CB 4.27Å; W320-C364 HydrophobicContact CZ3-CB 4.13Å; Q322-C364 VanDerWaalsContact OE1-CA 3.22Å; R361-C364 PolarHBondContact O-N 3Å; R361-C364 PolarHBondContact O-SG 2.81Å; C364-S366 PolarHBondContact O-N 2.8Å; C364-S366 PolarHBondContact SG-OG 2.57Å; C364-G367 PolarHBondContact O-N 3.39Å; C364-G367 VanDerWaalsContact O-N 3.14Å; C364-N368 PolarHBondContact O-ND2 2.9Å; C364-N368 VanDerWaalsContact O-ND2 3.16Å; C364-W440 HydrophobicContact CB-CE3 4.41Å; C364-W440 HydrophobicContact CB-CZ3 4.26Å
365	I	97.3	Very high	94.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-2.6	-173.9	61.5	173.8	0	0	0	115.1	I354 S371 S373 A438 W440	I354-I365 HydrophobicContact CD1-CG2 3.96Å; I365-S371 WeakPolarHBondContact O-CB 3.21Å; I365-S373 PolarHBondContact O-OG 3.04Å; I365-A438 HydrophobicContact CD1-CB 4.37Å; I365-A438 HydrophobicContact CG2-CB 3.72Å; I365-W440 HydrophobicContact CD1-CB 4.1Å; I365-W440 HydrophobicContact CG1-CB 4.31Å; I365-W440 HydrophobicContact CG1-CE3 4.39Å
366	S	94.7	Very high	94.9	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.007	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-16.8	173.7	61.2	0	0	0	0	114	C364 D387	C364-S366 PolarHBondContact O-N 2.8Å; C364-S366 PolarHBondContact SG-OG 2.57Å; S366-D387 PolarHBondContact O-N 3.17Å
367	G	90.4	Very high	94.6	Very high	7 Å²	7	40.4 Å²	40.4	7%	0.072	20%	0.2	C	C	.	.	S	Bend	trans	-111.9	15.6	-164.3	0	0	0	0	0	116.4	R361 N362 C364 D387	R361-G367 WeakPolarHBondContact O-CA 3.19Å; N362-G367 WeakPolarHBondContact CA-O 3.34Å; C364-G367 PolarHBondContact O-N 3.39Å; C364-G367 VanDerWaalsContact O-N 3.14Å; G367-D387 VanDerWaalsContact CA-OD1 3.25Å; G367-D387 WeakPolarHBondContact CA-OD1 3.43Å
368	N	92.7	Very high	94.4	Very high	10 Å²	10	38.4 Å²	38.4	5%	0.053	20%	0.202	C	C	.	.	S	Bend	trans	-135.1	166.4	177.4	65	63.1	0	0	0	112.5	N362 C364 F370 S371 S386	N362-N368 PolarHBondContact O-ND2 3.4Å; C364-N368 PolarHBondContact O-ND2 2.9Å; C364-N368 VanDerWaalsContact O-ND2 3.16Å; N368-F370 VanDerWaalsContact C-N 3.32Å; N368-F370 HydrophobicContact CB-CD1 4.34Å; N368-F370 HydrophobicContact CB-CE1 3.91Å; N368-F370 HydrophobicContact CB-CE2 4.4Å; N368-F370 HydrophobicContact CB-CZ 3.93Å; N368-F370 PolarHBondContact O-N 2.84Å; N368-F370 WeakPolarHBondContact OD1-CD2 3.16Å; N368-F370 VanDerWaalsContact OD1-CE2 3.29Å; N368-F370 WeakPolarHBondContact OD1-CE2 3.45Å; N368-F370 WeakPolarHBondContact OD1-CG 3.42Å; N368-F370 PolarHBondContact OD1-N 3.09Å; N368-S371 VanDerWaalsContact CG-OG 3.28Å; N368-S371 PolarHBondContact ND2-OG 3.03Å; N368-S371 VanDerWaalsContact ND2-OG 3.15Å; N368-S371 WeakPolarHBondContact OD1-CB 3.43Å; N368-S371 PolarHBondContact OD1-N 3.45Å; N368-S371 PolarHBondContact OD1-OG 3.13Å; N368-S386 VanDerWaalsContact O-CA 3.26Å; N368-S386 WeakPolarHBondContact O-CA 3.44Å; N368-S386 PolarHBondContact O-N 3.06Å
369	S	91.5	Very high	94.4	Very high	82 Å²	82	46.6 Å²	46.6	57%	0.573	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-1.3	-173.4	56.9	0	0	0	0	114.9	H385	S369-H385 PolarHBondContact O-CE1 3.35Å
370	F	93.1	Very high	94.4	Very high	68 Å²	68	43.6 Å²	43.6	30%	0.298	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	10.9	-179.5	54.9	-100.7	0	0	0	112.7	C351 I354 N368 W372	C351-F370 HydrophobicContact CB-CD2 4.05Å; I354-F370 HydrophobicContact CB-CE2 3.94Å; I354-F370 HydrophobicContact CG1-CE2 4.21Å; N368-F370 VanDerWaalsContact C-N 3.32Å; N368-F370 HydrophobicContact CB-CD1 4.34Å; N368-F370 HydrophobicContact CB-CE1 3.91Å; N368-F370 HydrophobicContact CB-CE2 4.4Å; N368-F370 HydrophobicContact CB-CZ 3.93Å; N368-F370 PolarHBondContact O-N 2.84Å; N368-F370 WeakPolarHBondContact OD1-CD2 3.16Å; N368-F370 VanDerWaalsContact OD1-CE2 3.29Å; N368-F370 WeakPolarHBondContact OD1-CE2 3.45Å; N368-F370 WeakPolarHBondContact OD1-CG 3.42Å; N368-F370 PolarHBondContact OD1-N 3.09Å; F370-W372 VanDerWaalsContact O-CZ3 3.23Å; F370-W372 WeakPolarHBondContact O-CZ3 3.44Å
371	S	96.2	Very high	94.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.188	C	C	.	.			trans	-122.5	145.5	174.8	-50.4	0	0	0	0	110.4	L349 T350 I365 N368 H385	L349-S371 VanDerWaalsContact O-CA 3.25Å; L349-S371 WeakPolarHBondContact O-CA 3.36Å; L349-S371 WeakPolarHBondContact O-CB 3.36Å; T350-S371 WeakPolarHBondContact CB-OG 3.41Å; T350-S371 PolarHBondContact OG1-OG 3.38Å; I365-S371 WeakPolarHBondContact O-CB 3.21Å; N368-S371 VanDerWaalsContact CG-OG 3.28Å; N368-S371 PolarHBondContact ND2-OG 3.03Å; N368-S371 VanDerWaalsContact ND2-OG 3.15Å; N368-S371 WeakPolarHBondContact OD1-CB 3.43Å; N368-S371 PolarHBondContact OD1-N 3.45Å; N368-S371 PolarHBondContact OD1-OG 3.13Å; S371-H385 PolarHBondContact O-ND1 2.95Å
372	W	97.9	Very high	94.7	Very high	12 Å²	12	32.7 Å²	32.7	5%	0.045	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	129.6	176.5	-59	-93.2	0	0	0	107.5	G348 L349 F370 H385 L411 F427 C429 F431	G348-W372 CarbonylContact C-O 3.57Å; G348-W372 WeakPolarHBondContact CA-O 3.33Å; L349-W372 PolarHBondContact N-O 3.34Å; L349-W372 PolarHBondContact O-N 3.43Å; L349-W372 VanDerWaalsContact O-N 3.11Å; F370-W372 VanDerWaalsContact O-CZ3 3.23Å; F370-W372 WeakPolarHBondContact O-CZ3 3.44Å; W372-H385 AromaticContact CD1-CE1 3.89Å; W372-H385 AromaticContact CD1-CG 3.67Å; W372-H385 AromaticContact CD1-ND1 3.32Å; W372-H385 VanDerWaalsContact CD1-ND1 3.32Å; W372-H385 AromaticContact CE2-CE1 3.65Å; W372-H385 AromaticContact CE2-ND1 3.77Å; W372-H385 AromaticContact CG-ND1 3.95Å; W372-H385 AromaticContact CZ2-CE1 3.99Å; W372-H385 AromaticContact NE1-CE1 3.25Å; W372-H385 PolarHBondContact NE1-CE1 3.4Å; W372-H385 VanDerWaalsContact NE1-CE1 3.25Å; W372-H385 AromaticContact NE1-CG 3.72Å; W372-H385 AromaticContact NE1-ND1 3.18Å; W372-H385 PolarHBondContact NE1-ND1 3.48Å; W372-H385 VanDerWaalsContact NE1-ND1 3.18Å; W372-H385 AromaticContact NE1-NE2 3.82Å; W372-L411 HydrophobicContact CB-CD2 3.61Å; W372-L411 HydrophobicContact CG-CD2 4.43Å; W372-F427 HydrophobicContact CB-CD2 4.16Å; W372-F427 HydrophobicContact CB-CE2 4.24Å; W372-F427 HydrophobicContact CB-CG 4.31Å; W372-F427 HydrophobicContact CB-CZ 4.49Å; W372-F427 AromaticContact CD1-CD1 3.75Å; W372-F427 AromaticContact CD1-CG 3.93Å; W372-F427 HydrophobicContact CG-CG 4.41Å; W372-C429 HydrophobicContact CD2-CB 4.4Å; W372-C429 HydrophobicContact CH2-CB 4.31Å; W372-C429 HydrophobicContact CZ2-CB 3.94Å; W372-F431 HydrophobicContact CE3-CE1 4.1Å; W372-F431 HydrophobicContact CH2-CD1 4.17Å; W372-F431 HydrophobicContact CH2-CE1 4.25Å; W372-F431 AromaticContact CZ3-CD1 3.98Å; W372-F431 HydrophobicContact CZ3-CD1 3.98Å; W372-F431 AromaticContact CZ3-CE1 3.77Å; W372-F431 HydrophobicContact CZ3-CE1 3.77Å
373	S	97.8	Very high	95	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	154.8	-178.4	56.6	0	0	0	0	112.9	V347 I365 W384	V347-S373 CarbonylContact O-C 3.55Å; V347-S373 VanDerWaalsContact O-CA 3.28Å; V347-S373 WeakPolarHBondContact O-CA 3.47Å; I365-S373 PolarHBondContact O-OG 3.04Å; S373-W384 PolarHBondContact N-O 3.16Å; S373-W384 PolarHBondContact O-N 3.35Å
374	I	97.5	Very high	95.2	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133.9	167.6	-154.9	168.4	0	0	0	109.2	Y346 V347 F381 L392 L400 F413 I424 H425	Y346-I374 CarbonylContact C-O 3.47Å; Y346-I374 WeakPolarHBondContact CA-O 3.42Å; V347-I374 HydrophobicContact CB-CG2 4.45Å; V347-I374 PolarHBondContact N-O 2.64Å; V347-I374 PolarHBondContact O-N 3.09Å; I374-F381 HydrophobicContact CD1-CB 4.16Å; I374-F381 HydrophobicContact CD1-CD1 4Å; I374-F381 HydrophobicContact CD1-CG 4.21Å; I374-F381 HydrophobicContact CG1-CB 4.25Å; I374-F381 HydrophobicContact CG1-CD1 4.01Å; I374-F381 HydrophobicContact CG1-CG 4.47Å; I374-L392 HydrophobicContact CD1-CD1 3.96Å; I374-L392 HydrophobicContact CG1-CD1 4.34Å; I374-L400 HydrophobicContact CG2-CD1 3.97Å; I374-F413 HydrophobicContact CB-CD1 4.15Å; I374-F413 HydrophobicContact CB-CD2 4.43Å; I374-F413 HydrophobicContact CB-CE1 4.18Å; I374-F413 HydrophobicContact CB-CE2 4.47Å; I374-F413 HydrophobicContact CB-CG 4.27Å; I374-F413 HydrophobicContact CB-CZ 4.34Å; I374-F413 HydrophobicContact CD1-CB 4.07Å; I374-F413 HydrophobicContact CD1-CG 4.23Å; I374-F413 HydrophobicContact CG2-CD1 3.6Å; I374-F413 HydrophobicContact CG2-CE1 3.69Å; I374-F413 HydrophobicContact CG2-CG 4.15Å; I374-F413 HydrophobicContact CG2-CZ 4.32Å; I374-I424 HydrophobicContact CD1-CB 4.13Å; I374-I424 HydrophobicContact CD1-CG2 3.42Å; I374-I424 VanDerWaalsContact CD1-CG2 3.42Å; I374-H425 HydrophobicContact CD1-CB 4.48Å
375	H	97.1	Very high	95.1	Very high	22 Å²	22	32.5 Å²	32.5	10%	0.102	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.7	-179.7	174.9	-141.8	0	0	0	109.9	T345 Y346 F381 T382	T345-H375 WeakPolarHBondContact O-CA 3.2Å; Y346-H375 HydrophobicContact CD1-CB 3.56Å; Y346-H375 AromaticContact CD1-CG 3.99Å; Y346-H375 HydrophobicContact CD2-CB 4.48Å; Y346-H375 AromaticContact CD2-CD2 3.57Å; Y346-H375 HydrophobicContact CE1-CB 3.42Å; Y346-H375 VanDerWaalsContact CE1-CB 3.42Å; Y346-H375 AromaticContact CE1-CD2 3.86Å; Y346-H375 AromaticContact CE1-CG 3.52Å; Y346-H375 HydrophobicContact CE2-CB 4.35Å; Y346-H375 AromaticContact CE2-CD2 3.15Å; Y346-H375 WeakPolarHBondContact CE2-CD2 3.32Å; Y346-H375 AromaticContact CE2-CG 3.72Å; Y346-H375 AromaticContact CE2-NE2 3.53Å; Y346-H375 HydrophobicContact CG-CB 4.07Å; Y346-H375 AromaticContact CZ-CD2 3.29Å; Y346-H375 AromaticContact CZ-CE1 3.87Å; Y346-H375 AromaticContact CZ-CG 3.33Å; Y346-H375 AromaticContact CZ-ND1 3.72Å; Y346-H375 AromaticContact CZ-NE2 3.68Å; Y346-H375 PolarHBondContact OH-CE1 3.32Å; Y346-H375 PolarHBondContact OH-ND1 2.85Å; H375-F381 CarbonylContact O-C 3.56Å; H375-F381 VanDerWaalsContact O-CA 3.26Å; H375-F381 WeakPolarHBondContact O-CA 3.43Å; H375-T382 PolarHBondContact N-O 2.98Å; H375-T382 PolarHBondContact O-N 3.3Å
376	W	96.4	Very high	94.9	Very high	39 Å²	39	35 Å²	35	15%	0.148	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	111.2	166.6	173.8	-117	0	0	0	109.6	L340 G344 T345 G378 K379 E380 F381 P396	L340-W376 HydrophobicContact CD1-CB 4.32Å; G344-W376 PolarHBondContact N-O 3.47Å; T345-W376 PolarHBondContact O-N 2.84Å; W376-G378 VanDerWaalsContact CE2-CA 3.5Å; W376-G378 WeakPolarHBondContact CZ2-O 3.36Å; W376-K379 WeakPolarHBondContact CH2-O 3.49Å; W376-E380 VanDerWaalsContact CZ3-C 3.49Å; W376-F381 HydrophobicContact CB-CD1 4.1Å; W376-F381 HydrophobicContact CB-CE1 3.85Å; W376-F381 HydrophobicContact CD2-CE1 4.36Å; W376-F381 HydrophobicContact CD2-CZ 4.48Å; W376-F381 AromaticContact CE3-CD1 3.95Å; W376-F381 HydrophobicContact CE3-CD1 3.95Å; W376-F381 HydrophobicContact CE3-CD2 4.03Å; W376-F381 AromaticContact CE3-CE1 3.91Å; W376-F381 HydrophobicContact CE3-CE1 3.91Å; W376-F381 AromaticContact CE3-CE2 3.98Å; W376-F381 HydrophobicContact CE3-CE2 3.98Å; W376-F381 HydrophobicContact CE3-CG 4.01Å; W376-F381 AromaticContact CE3-CZ 3.92Å; W376-F381 HydrophobicContact CE3-CZ 3.92Å; W376-F381 HydrophobicContact CG-CE1 4.37Å; W376-F381 HydrophobicContact CZ3-CD2 4.23Å; W376-F381 HydrophobicContact CZ3-CE2 4.22Å; W376-P396 HydrophobicContact CH2-CB 3.58Å; W376-P396 HydrophobicContact CZ2-CB 4.1Å; W376-P396 HydrophobicContact CZ3-CB 4.11Å
377	N	93	Very high	94.7	Very high	50 Å²	50	38.7 Å²	38.7	27%	0.267	21%	0.206	S	C	.	.			trans	-86.9	-5.3	-176.8	70.6	17	0	0	0	114	K379 E380	N377-K379 WeakPolarHBondContact OD1-CA 3.43Å; N377-K379 PolarHBondContact OD1-N 3.31Å; N377-E380 PolarHBondContact N-O 2.88Å; N377-E380 WeakPolarHBondContact ND2-CG 3.33Å; N377-E380 PolarHBondContact OD1-N 3.2Å; N377-E380 PolarHBondContact OD1-O 3.32Å
378	G	91.9	Very high	94.8	Very high	38 Å²	38	42.7 Å²	42.7	39%	0.392	23%	0.229	S	C	.	.	S	Bend	trans	103.8	-8.9	-173.6	0	0	0	0	0	114.5	W376	W376-G378 VanDerWaalsContact CE2-CA 3.5Å; W376-G378 WeakPolarHBondContact CZ2-O 3.36Å
379	K	91.9	Very high	94.9	Very high	184 Å²	184	47.6 Å²	47.6	80%	0.8	25%	0.252	S	S	*	.	S	Bend	trans	-129.9	-43.1	178.2	-65.3	-176.9	178.9	-179.2	0	112.5	W376 N377	W376-K379 WeakPolarHBondContact CH2-O 3.49Å; N377-K379 WeakPolarHBondContact OD1-CA 3.43Å; N377-K379 PolarHBondContact OD1-N 3.31Å
380	E	94.2	Very high	95	Very high	77 Å²	77	47 Å²	47	36%	0.36	25%	0.245	S	C	.	.			trans	-144.4	162.8	-178.6	64.1	-174.6	173.9	0	0	111.1	W376 N377	W376-E380 VanDerWaalsContact CZ3-C 3.49Å; N377-E380 PolarHBondContact N-O 2.88Å; N377-E380 WeakPolarHBondContact ND2-CG 3.33Å; N377-E380 PolarHBondContact OD1-N 3.2Å; N377-E380 PolarHBondContact OD1-O 3.32Å
381	F	96.6	Very high	95.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	148.9	170.7	-72.4	-75.3	0	0	0	110.9	L340 I374 H375 W376 L392 F397 L400 I424	L340-F381 HydrophobicContact CD1-CE1 4.27Å; I374-F381 HydrophobicContact CD1-CB 4.16Å; I374-F381 HydrophobicContact CD1-CD1 4Å; I374-F381 HydrophobicContact CD1-CG 4.21Å; I374-F381 HydrophobicContact CG1-CB 4.25Å; I374-F381 HydrophobicContact CG1-CD1 4.01Å; I374-F381 HydrophobicContact CG1-CG 4.47Å; H375-F381 CarbonylContact O-C 3.56Å; H375-F381 VanDerWaalsContact O-CA 3.26Å; H375-F381 WeakPolarHBondContact O-CA 3.43Å; W376-F381 HydrophobicContact CB-CD1 4.1Å; W376-F381 HydrophobicContact CB-CE1 3.85Å; W376-F381 HydrophobicContact CD2-CE1 4.36Å; W376-F381 HydrophobicContact CD2-CZ 4.48Å; W376-F381 AromaticContact CE3-CD1 3.95Å; W376-F381 HydrophobicContact CE3-CD1 3.95Å; W376-F381 HydrophobicContact CE3-CD2 4.03Å; W376-F381 AromaticContact CE3-CE1 3.91Å; W376-F381 HydrophobicContact CE3-CE1 3.91Å; W376-F381 AromaticContact CE3-CE2 3.98Å; W376-F381 HydrophobicContact CE3-CE2 3.98Å; W376-F381 HydrophobicContact CE3-CG 4.01Å; W376-F381 AromaticContact CE3-CZ 3.92Å; W376-F381 HydrophobicContact CE3-CZ 3.92Å; W376-F381 HydrophobicContact CG-CE1 4.37Å; W376-F381 HydrophobicContact CZ3-CD2 4.23Å; W376-F381 HydrophobicContact CZ3-CE2 4.22Å; F381-L392 HydrophobicContact CB-CB 4.14Å; F381-L392 HydrophobicContact CB-CD1 3.99Å; F381-L392 HydrophobicContact CB-CG 4.5Å; F381-L392 WeakPolarHBondContact O-CB 3.18Å; F381-L392 PolarHBondContact O-N 2.92Å; F381-F397 HydrophobicContact CE2-CB 4.36Å; F381-F397 HydrophobicContact CE2-CD2 4.24Å; F381-F397 HydrophobicContact CZ-CB 4.35Å; F381-L400 HydrophobicContact CE1-CD1 4.19Å; F381-L400 HydrophobicContact CE1-CD2 4.37Å; F381-L400 HydrophobicContact CZ-CD2 4Å; F381-I424 HydrophobicContact CB-CG2 4.15Å; F381-I424 HydrophobicContact CD2-CD1 4.41Å; F381-I424 HydrophobicContact CD2-CG2 4.01Å; F381-I424 HydrophobicContact CE2-CD1 4.05Å; F381-I424 HydrophobicContact CG-CG2 4.08Å; F381-I424 HydrophobicContact CZ-CD1 4.23Å
382	T	97.1	Very high	95.1	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.043	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	127.1	173	-45.7	0	0	0	0	108.9	H375 E389 T390	H375-T382 PolarHBondContact N-O 2.98Å; H375-T382 PolarHBondContact O-N 3.3Å; T382-E389 HydrophobicContact CG2-CB 3.81Å; T382-T390 WeakPolarHBondContact CA-O 3.46Å
383	A	97.6	Very high	94.7	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.008	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	135.4	171.8	0	0	0	0	0	110	E389 T390 L392 F427	A383-E389 CarbonylContact O-C 3.55Å; A383-E389 WeakPolarHBondContact O-CA 3.4Å; A383-T390 PolarHBondContact N-O 2.94Å; A383-T390 PolarHBondContact O-N 3.48Å; A383-L392 HydrophobicContact CB-CD1 4.18Å; A383-L392 HydrophobicContact CB-CD2 4.33Å; A383-L392 HydrophobicContact CB-CG 4.46Å; A383-F427 HydrophobicContact CB-CE1 4.09Å; A383-F427 HydrophobicContact CB-CE2 4.45Å; A383-F427 HydrophobicContact CB-CZ 3.62Å
384	W	97.5	Very high	94.4	Very high	22 Å²	22	59.4 Å²	59.4	8%	0.083	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.9	-178.6	-76.2	87.1	0	0	0	111.7	Y346 S373 T388 E389	Y346-W384 AromaticContact CE1-CD1 3.88Å; Y346-W384 HydrophobicContact CE1-CG 4.35Å; Y346-W384 AromaticContact CE1-NE1 3.95Å; S373-W384 PolarHBondContact N-O 3.16Å; S373-W384 PolarHBondContact O-N 3.35Å; W384-T388 WeakPolarHBondContact CA-O 3.4Å; W384-E389 HydrophobicContact CD2-CB 3.97Å; W384-E389 HydrophobicContact CE3-CB 4.02Å; W384-E389 HydrophobicContact CH2-CB 3.65Å; W384-E389 HydrophobicContact CH2-CG 4.2Å; W384-E389 VanDerWaalsContact CH2-OE2 3.29Å; W384-E389 WeakPolarHBondContact CH2-OE2 3.35Å; W384-E389 HydrophobicContact CZ2-CB 3.58Å; W384-E389 HydrophobicContact CZ2-CG 4.35Å; W384-E389 WeakPolarHBondContact CZ2-OE2 3.48Å; W384-E389 HydrophobicContact CZ3-CB 3.87Å
385	H	94.4	Very high	94	Very high	61 Å²	61	63.2 Å²	63.2	28%	0.282	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	129.5	169	176.2	59.9	0	0	0	109.8	S369 S371 W372 D387 T388 F427	S369-H385 PolarHBondContact O-CE1 3.35Å; S371-H385 PolarHBondContact O-ND1 2.95Å; W372-H385 AromaticContact CD1-CE1 3.89Å; W372-H385 AromaticContact CD1-CG 3.67Å; W372-H385 AromaticContact CD1-ND1 3.32Å; W372-H385 VanDerWaalsContact CD1-ND1 3.32Å; W372-H385 AromaticContact CE2-CE1 3.65Å; W372-H385 AromaticContact CE2-ND1 3.77Å; W372-H385 AromaticContact CG-ND1 3.95Å; W372-H385 AromaticContact CZ2-CE1 3.99Å; W372-H385 AromaticContact NE1-CE1 3.25Å; W372-H385 PolarHBondContact NE1-CE1 3.4Å; W372-H385 VanDerWaalsContact NE1-CE1 3.25Å; W372-H385 AromaticContact NE1-CG 3.72Å; W372-H385 AromaticContact NE1-ND1 3.18Å; W372-H385 PolarHBondContact NE1-ND1 3.48Å; W372-H385 VanDerWaalsContact NE1-ND1 3.18Å; W372-H385 AromaticContact NE1-NE2 3.82Å; H385-D387 VanDerWaalsContact C-N 3.34Å; H385-D387 PolarHBondContact O-N 3.03Å; H385-T388 PolarHBondContact N-O 2.91Å; H385-T388 VanDerWaalsContact N-O 3.12Å; H385-T388 VanDerWaalsContact O-CB 3.3Å; H385-T388 WeakPolarHBondContact O-CB 3.34Å; H385-T388 PolarHBondContact O-N 3.18Å; H385-F427 HydrophobicContact CB-CE1 4.23Å
386	S	92.6	Very high	93.7	Very high	53 Å²	53	66.2 Å²	66.2	37%	0.371	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	49.4	175.4	-166.2	0	0	0	0	114.2	N368 T388	N368-S386 VanDerWaalsContact O-CA 3.26Å; N368-S386 WeakPolarHBondContact O-CA 3.44Å; N368-S386 PolarHBondContact O-N 3.06Å; S386-T388 PolarHBondContact O-N 2.94Å; S386-T388 VanDerWaalsContact O-N 3.09Å
387	D	90.8	Very high	93.6	Very high	77 Å²	77	65.2 Å²	65.2	41%	0.412	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	7.4	-176.3	-79.6	-39.3	0	0	0	115.9	R361 S366 G367 H385	R361-D387 IonicContact CZ-OD1 3.82Å; R361-D387 VanDerWaalsContact CZ-OD1 3.22Å; R361-D387 IonicContact NE-OD1 3.55Å; R361-D387 PolarHBondContact NE-OD1 2.98Å; R361-D387 IonicContact NH2-OD1 3.56Å; R361-D387 PolarHBondContact NH2-OD1 3.32Å; S366-D387 PolarHBondContact O-N 3.17Å; G367-D387 VanDerWaalsContact CA-OD1 3.25Å; G367-D387 WeakPolarHBondContact CA-OD1 3.43Å; H385-D387 VanDerWaalsContact C-N 3.34Å; H385-D387 PolarHBondContact O-N 3.03Å
388	T	93	Very high	93.6	Very high	91 Å²	91	68.8 Å²	68.8	56%	0.558	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	124.4	172.1	-54.5	0	0	0	0	109.9	W384 H385 S386	W384-T388 WeakPolarHBondContact CA-O 3.4Å; H385-T388 PolarHBondContact N-O 2.91Å; H385-T388 VanDerWaalsContact N-O 3.12Å; H385-T388 VanDerWaalsContact O-CB 3.3Å; H385-T388 WeakPolarHBondContact O-CB 3.34Å; H385-T388 PolarHBondContact O-N 3.18Å; S386-T388 PolarHBondContact O-N 2.94Å; S386-T388 VanDerWaalsContact O-N 3.09Å
389	E	94.6	Very high	93.8	Very high	113 Å²	113	67.6 Å²	67.6	53%	0.528	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	139	174.5	65.8	177.1	-171.1	0	0	111.9	T382 A383 W384	T382-E389 HydrophobicContact CG2-CB 3.81Å; A383-E389 CarbonylContact O-C 3.55Å; A383-E389 WeakPolarHBondContact O-CA 3.4Å; W384-E389 HydrophobicContact CD2-CB 3.97Å; W384-E389 HydrophobicContact CE3-CB 4.02Å; W384-E389 HydrophobicContact CH2-CB 3.65Å; W384-E389 HydrophobicContact CH2-CG 4.2Å; W384-E389 VanDerWaalsContact CH2-OE2 3.29Å; W384-E389 WeakPolarHBondContact CH2-OE2 3.35Å; W384-E389 HydrophobicContact CZ2-CB 3.58Å; W384-E389 HydrophobicContact CZ2-CG 4.35Å; W384-E389 WeakPolarHBondContact CZ2-OE2 3.48Å; W384-E389 HydrophobicContact CZ3-CB 3.87Å
390	T	94.8	Very high	94.1	Very high	70 Å²	70	58.9 Å²	58.9	43%	0.429	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	103.8	172.5	-54.9	0	0	0	0	109.2	T382 A383 L392	T382-T390 WeakPolarHBondContact CA-O 3.46Å; A383-T390 PolarHBondContact N-O 2.94Å; A383-T390 PolarHBondContact O-N 3.48Å; T390-L392 HydrophobicContact CG2-CD2 4.3Å
391	P	94.8	Very high	94.2	Very high	76 Å²	76	55.2 Å²	55.2	49%	0.494	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	136.9	174.8	-21.9	33.2	0	0	0	111.4
392	L	95.1	Very high	94.3	Very high	15 Å²	15	55.2 Å²	55.2	8%	0.079	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.9	-174.6	-53.2	177.6	0	0	0	110.3	I374 F381 A383 T390 V394 I424 H425	I374-L392 HydrophobicContact CD1-CD1 3.96Å; I374-L392 HydrophobicContact CG1-CD1 4.34Å; F381-L392 HydrophobicContact CB-CB 4.14Å; F381-L392 HydrophobicContact CB-CD1 3.99Å; F381-L392 HydrophobicContact CB-CG 4.5Å; F381-L392 WeakPolarHBondContact O-CB 3.18Å; F381-L392 PolarHBondContact O-N 2.92Å; A383-L392 HydrophobicContact CB-CD1 4.18Å; A383-L392 HydrophobicContact CB-CD2 4.33Å; A383-L392 HydrophobicContact CB-CG 4.46Å; T390-L392 HydrophobicContact CG2-CD2 4.3Å; L392-V394 HydrophobicContact CB-CG2 4.31Å; L392-V394 PolarHBondContact O-N 2.8Å; L392-I424 HydrophobicContact CD1-CG2 3.87Å; L392-H425 HydrophobicContact CD1-CB 3.8Å
393	K	90.5	Very high	94.3	Very high	211 Å²	211	55 Å²	55	92%	0.917	29%	0.292	S	S	*	.			trans	-85.6	62.9	177.5	-63.3	-174	-179.2	-178.8	0	111.2
394	V	91.1	Very high	94.3	Very high	39 Å²	39	55 Å²	55	24%	0.236	29%	0.292	C	S	.	.			trans	-122.7	144.6	-178.4	-175.3	0	0	0	0	109.1	L392 F397 I424	L392-V394 HydrophobicContact CB-CG2 4.31Å; L392-V394 PolarHBondContact O-N 2.8Å; V394-F397 HydrophobicContact CG1-CD2 4.32Å; V394-F397 HydrophobicContact CG1-CE2 3.69Å; V394-I424 HydrophobicContact CB-CG2 4.29Å; V394-I424 HydrophobicContact CG1-CG1 4.23Å; V394-I424 HydrophobicContact CG1-CG2 4.32Å; V394-I424 HydrophobicContact CG2-CG2 4.31Å
395	S	88.7	Confident	94.1	Very high	81 Å²	81	54.3 Å²	54.3	57%	0.566	29%	0.29	S	S	*	.			trans	-55.2	151.1	176.1	-61.6	0	0	0	0	112.1	F397	S395-F397 WeakPolarHBondContact O-CD2 3.41Å; S395-F397 WeakPolarHBondContact O-CE2 3.4Å
396	P	92.1	Very high	94	Very high	86 Å²	86	52 Å²	52	56%	0.558	28%	0.279	S	S	*	.			trans	-62.2	136.5	173.9	25.1	-33.3	0	0	0	111	W376	W376-P396 HydrophobicContact CH2-CB 3.58Å; W376-P396 HydrophobicContact CZ2-CB 4.1Å; W376-P396 HydrophobicContact CZ3-CB 4.11Å
397	F	94.3	Very high	93.7	Very high	17 Å²	17	51.5 Å²	51.5	8%	0.075	27%	0.274	C	S	.	.			trans	-126.6	132.5	173.4	-70.2	-74.9	0	0	0	110	F381 V394 S395 L400 G415 E417 T422 I424	F381-F397 HydrophobicContact CE2-CB 4.36Å; F381-F397 HydrophobicContact CE2-CD2 4.24Å; F381-F397 HydrophobicContact CZ-CB 4.35Å; V394-F397 HydrophobicContact CG1-CD2 4.32Å; V394-F397 HydrophobicContact CG1-CE2 3.69Å; S395-F397 WeakPolarHBondContact O-CD2 3.41Å; S395-F397 WeakPolarHBondContact O-CE2 3.4Å; F397-L400 HydrophobicContact CB-CD2 3.97Å; F397-G415 VanDerWaalsContact CG-CA 3.42Å; F397-E417 HydrophobicContact CD1-CG 4.05Å; F397-E417 HydrophobicContact CE1-CG 3.89Å; F397-T422 HydrophobicContact CE2-CG2 4.14Å; F397-T422 HydrophobicContact CZ-CG2 3.94Å; F397-I424 HydrophobicContact CD2-CD1 3.82Å; F397-I424 HydrophobicContact CD2-CG1 4.07Å; F397-I424 HydrophobicContact CE2-CG1 4.29Å
398	R	92.8	Very high	93.6	Very high	125 Å²	125	49.9 Å²	49.9	47%	0.472	28%	0.276	S	S	.	.	S	Bend	trans	-76.7	-41.3	173.7	-177.2	177.6	170.6	-163.4	-9.6	111.3	E339 L340 E458	E339-R398 CarbonylContact C-O 3.59Å; E339-R398 WeakPolarHBondContact CA-O 3.31Å; E339-R398 IonicContact OE2-NH2 3.08Å; L340-R398 PolarHBondContact N-O 3.37Å; R398-E458 IonicContact CZ-OE1 3.96Å; R398-E458 IonicContact CZ-OE2 3.59Å; R398-E458 IonicContact NH1-OE1 2.97Å; R398-E458 PolarHBondContact NH1-OE1 3.46Å; R398-E458 IonicContact NH1-OE2 3.68Å; R398-E458 PolarHBondContact NH1-OE2 3.38Å; R398-E458 IonicContact NH2-OE1 3.88Å
399	R	96	Very high	93.6	Very high	14 Å²	14	46.2 Å²	46.2	5%	0.053	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.9	180	-171.7	179.5	-71	-168.7	3.4	110.5	E337 V338 E339 V416 V451 E455	E337-R399 HydrophobicContact CB-CG 4.46Å; E337-R399 WeakPolarHBondContact OE2-CD 3.4Å; E337-R399 IonicContact OE2-NH1 2.65Å; V338-R399 CarbonylContact O-C 3.52Å; V338-R399 VanDerWaalsContact O-CA 3.32Å; V338-R399 WeakPolarHBondContact O-CA 3.42Å; E339-R399 HydrophobicContact CG-CB 4.1Å; E339-R399 HydrophobicContact CG-CG 4.15Å; E339-R399 IonicContact OE1-CZ 3.86Å; E339-R399 IonicContact OE1-NE 2.84Å; E339-R399 PolarHBondContact OE1-NE 2.97Å; E339-R399 IonicContact OE1-NH2 3.79Å; E339-R399 PolarHBondContact OE1-NH2 2.9Å; R399-V416 HydrophobicContact CB-CB 4.36Å; R399-V416 HydrophobicContact CG-CB 4.08Å; R399-V416 PolarHBondContact O-N 2.84Å; R399-V451 HydrophobicContact CG-CG2 4.35Å; R399-E455 PolarHBondContact NH1-O 2.91Å
400	L	96.9	Very high	93.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.9	176.6	-59.9	-169.6	0	0	0	110.5	E337 V338 L340 I374 F381 F397 I402 Y414 I424	E337-L400 CarbonylContact C-O 3.48Å; E337-L400 VanDerWaalsContact CA-O 3.25Å; E337-L400 WeakPolarHBondContact CA-O 3.32Å; V338-L400 HydrophobicContact CG2-CB 4.07Å; V338-L400 PolarHBondContact N-O 3.34Å; V338-L400 PolarHBondContact O-N 3.43Å; L340-L400 HydrophobicContact CD1-CD1 3.56Å; L340-L400 HydrophobicContact CD1-CG 4.01Å; L340-L400 HydrophobicContact CG-CD1 4.27Å; L340-L400 HydrophobicContact CG-CG 4.37Å; I374-L400 HydrophobicContact CG2-CD1 3.97Å; F381-L400 HydrophobicContact CE1-CD1 4.19Å; F381-L400 HydrophobicContact CE1-CD2 4.37Å; F381-L400 HydrophobicContact CZ-CD2 4Å; F397-L400 HydrophobicContact CB-CD2 3.97Å; L400-I402 HydrophobicContact CB-CD1 4.23Å; L400-Y414 CarbonylContact C-O 3.45Å; L400-Y414 WeakPolarHBondContact CA-O 3.33Å; L400-I424 HydrophobicContact CD2-CD1 3.29Å
401	G	97	Very high	93.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127	166	0	0	0	0	0	110	F413 Y414	G401-F413 WeakPolarHBondContact O-CA 3.49Å; G401-Y414 PolarHBondContact N-O 3.17Å; G401-Y414 PolarHBondContact O-N 3.37Å
402	I	98.1	Very high	93.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	114.5	-179.9	-61.6	87.6	0	0	0	107.6	Y335 F336 V338 V347 L400 V404 L411 F413	Y335-I402 VanDerWaalsContact CA-O 3.31Å; Y335-I402 WeakPolarHBondContact CA-O 3.5Å; Y335-I402 WeakPolarHBondContact CD2-O 3.21Å; F336-I402 HydrophobicContact CD1-CB 4.21Å; F336-I402 HydrophobicContact CD1-CG2 4.45Å; F336-I402 HydrophobicContact CD2-CB 4.35Å; F336-I402 HydrophobicContact CD2-CD1 4.1Å; F336-I402 HydrophobicContact CE1-CB 3.78Å; F336-I402 HydrophobicContact CE1-CG2 3.63Å; F336-I402 HydrophobicContact CE2-CB 3.94Å; F336-I402 HydrophobicContact CE2-CD1 3.74Å; F336-I402 HydrophobicContact CE2-CG1 4.03Å; F336-I402 HydrophobicContact CE2-CG2 4.4Å; F336-I402 HydrophobicContact CG-CB 4.48Å; F336-I402 HydrophobicContact CZ-CB 3.62Å; F336-I402 HydrophobicContact CZ-CD1 4.27Å; F336-I402 HydrophobicContact CZ-CG1 4.03Å; F336-I402 HydrophobicContact CZ-CG2 3.6Å; F336-I402 PolarHBondContact N-O 2.8Å; F336-I402 VanDerWaalsContact N-O 3.11Å; F336-I402 PolarHBondContact O-N 3.14Å; V338-I402 HydrophobicContact CB-CD1 4.48Å; V338-I402 HydrophobicContact CG1-CD1 4.17Å; V338-I402 HydrophobicContact CG2-CD1 3.68Å; V347-I402 HydrophobicContact CG1-CD1 4.13Å; V347-I402 HydrophobicContact CG1-CG1 4.18Å; L400-I402 HydrophobicContact CB-CD1 4.23Å; I402-V404 HydrophobicContact CG2-CG2 4.29Å; I402-L411 HydrophobicContact CG2-CD1 3.7Å; I402-F413 HydrophobicContact CG1-CD1 3.9Å; I402-F413 HydrophobicContact CG1-CE1 3.9Å; I402-F413 HydrophobicContact CG2-CE1 4.48Å
403	Y	97.7	Very high	94	Very high	3 Å²	3	34 Å²	34	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.8	176.9	174.7	-114.9	0	0	0	110.6	E266 P267 F273 Y276 R333 Y334 N405 L411 S412	E266-Y403 WeakPolarHBondContact OE2-CE1 3.35Å; E266-Y403 PolarHBondContact OE2-OH 3.15Å; P267-Y403 WeakPolarHBondContact CD-OH 3.32Å; P267-Y403 HydrophobicContact CG-CD2 4.36Å; P267-Y403 HydrophobicContact CG-CE1 4.2Å; P267-Y403 HydrophobicContact CG-CE2 3.84Å; F273-Y403 AromaticContact CD1-CD2 3.77Å; F273-Y403 HydrophobicContact CD1-CD2 3.77Å; F273-Y403 HydrophobicContact CD1-CE2 4.44Å; F273-Y403 AromaticContact CD1-CG 3.84Å; F273-Y403 HydrophobicContact CD1-CG 3.84Å; F273-Y403 AromaticContact CE1-CD1 3.9Å; F273-Y403 HydrophobicContact CE1-CD1 3.9Å; F273-Y403 AromaticContact CE1-CD2 3.91Å; F273-Y403 HydrophobicContact CE1-CD2 3.91Å; F273-Y403 HydrophobicContact CE1-CE1 4.49Å; F273-Y403 AromaticContact CE1-CG 3.54Å; F273-Y403 HydrophobicContact CE1-CG 3.54Å; Y276-Y403 HydrophobicContact CD2-CE2 4.03Å; Y276-Y403 HydrophobicContact CE2-CE2 4.47Å; Y276-Y403 HydrophobicContact CG-CE2 4.46Å; R333-Y403 HydrophobicContact CB-CE2 4.14Å; R333-Y403 WeakPolarHBondContact CD-OH 3.12Å; R333-Y403 HydrophobicContact CG-CE2 4.37Å; R333-Y403 PolarHBondContact NE-OH 2.73Å; Y334-Y403 WeakPolarHBondContact O-CA 3.42Å; Y334-Y403 WeakPolarHBondContact O-CD2 3.32Å; Y403-N405 HydrophobicContact CE1-CB 3.91Å; Y403-L411 WeakPolarHBondContact O-CA 3.21Å; Y403-S412 PolarHBondContact N-O 3.06Å; Y403-S412 PolarHBondContact O-N 3.22Å
404	V	96.8	Very high	94.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	113	179.6	-170.6	0	0	0	0	108.3	L329 R333 Y334 L349 I402 L411 F431	L329-V404 HydrophobicContact CD1-CB 4.39Å; L329-V404 HydrophobicContact CD1-CG2 3.86Å; R333-V404 CarbonylContact C-O 3.53Å; R333-V404 WeakPolarHBondContact CA-O 3.36Å; Y334-V404 HydrophobicContact CD2-CB 4.49Å; Y334-V404 PolarHBondContact N-O 2.82Å; Y334-V404 PolarHBondContact O-N 3.37Å; L349-V404 HydrophobicContact CD1-CG1 3.93Å; L349-V404 HydrophobicContact CD1-CG2 3.81Å; L349-V404 HydrophobicContact CD2-CG2 4.33Å; I402-V404 HydrophobicContact CG2-CG2 4.29Å; V404-L411 HydrophobicContact CG2-CD1 4.13Å; V404-F431 HydrophobicContact CG1-CE2 4.2Å; V404-F431 HydrophobicContact CG1-CZ 4.19Å
405	N	94.4	Very high	94.6	Very high	8 Å²	8	23.9 Å²	23.9	4%	0.043	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	89.1	166.8	176.9	3.5	0	0	0	108	E266 R333 Y403 P407 G408 G409 I410	E266-N405 PolarHBondContact OE1-ND2 3.45Å; R333-N405 HydrophobicContact CG-CB 4.03Å; Y403-N405 HydrophobicContact CE1-CB 3.91Å; N405-P407 WeakPolarHBondContact OD1-CD 3.42Å; N405-G408 CarbonylContact O-C 3.46Å; N405-G408 PolarHBondContact O-N 2.89Å; N405-G408 PolarHBondContact OD1-N 2.93Å; N405-G409 PolarHBondContact O-N 3.17Å; N405-I410 HydrophobicContact CB-CB 4.17Å; N405-I410 PolarHBondContact N-O 3.44Å; N405-I410 PolarHBondContact O-N 2.8Å
406	F	92	Very high	94.9	Very high	14 Å²	14	20.3 Å²	20.3	6%	0.061	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-48.7	-175.6	-168.8	-71.9	0	0	0	112.1	Y330 L331 H332 G408 G409 F431 E433 V435	Y330-F406 HydrophobicContact CD2-CD2 4.46Å; Y330-F406 AromaticContact CD2-CE1 3.84Å; Y330-F406 HydrophobicContact CD2-CE1 3.84Å; Y330-F406 AromaticContact CD2-CE2 3.67Å; Y330-F406 HydrophobicContact CD2-CE2 3.67Å; Y330-F406 AromaticContact CD2-CZ 3.32Å; Y330-F406 HydrophobicContact CD2-CZ 3.32Å; Y330-F406 AromaticContact CE2-CE1 3.81Å; Y330-F406 HydrophobicContact CE2-CE1 3.81Å; Y330-F406 HydrophobicContact CE2-CE2 4.27Å; Y330-F406 AromaticContact CE2-CZ 3.47Å; Y330-F406 HydrophobicContact CE2-CZ 3.47Å; Y330-F406 VanDerWaalsContact CE2-CZ 3.47Å; L331-F406 HydrophobicContact CD2-CD1 3.98Å; L331-F406 HydrophobicContact CD2-CE1 3.81Å; L331-F406 VanDerWaalsContact N-CD1 3.33Å; L331-F406 VanDerWaalsContact N-CG 3.34Å; H332-F406 VanDerWaalsContact O-CB 3.25Å; H332-F406 WeakPolarHBondContact O-CB 3.2Å; H332-F406 PolarHBondContact O-N 3.28Å; H332-F406 VanDerWaalsContact O-N 3.11Å; F406-G408 VanDerWaalsContact C-N 3.28Å; F406-G408 PolarHBondContact O-N 3.3Å; F406-G409 PolarHBondContact O-N 3.38Å; F406-F431 HydrophobicContact CD1-CB 4.36Å; F406-F431 HydrophobicContact CD2-CB 4.08Å; F406-F431 HydrophobicContact CD2-CD2 4.25Å; F406-F431 HydrophobicContact CD2-CG 4.16Å; F406-F431 HydrophobicContact CE1-CB 3.99Å; F406-F431 HydrophobicContact CE2-CB 3.7Å; F406-F431 HydrophobicContact CE2-CG 4.15Å; F406-F431 HydrophobicContact CG-CB 4.38Å; F406-F431 HydrophobicContact CG-CD2 4.33Å; F406-F431 HydrophobicContact CZ-CB 3.63Å; F406-E433 VanDerWaalsContact CE2-O 3.25Å; F406-E433 WeakPolarHBondContact CE2-O 3.27Å; F406-E433 WeakPolarHBondContact CZ-O 3.37Å; F406-V435 HydrophobicContact CD2-CG2 4.34Å; F406-V435 HydrophobicContact CE2-CG2 4.43Å
407	P	86.6	Confident	94.8	Very high	41 Å²	41	21 Å²	21	27%	0.266	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-28.3	177.8	-21.8	34.7	0	0	0	114.3	R261 L331 N405	R261-P407 HydrophobicContact CG-CB 3.93Å; L331-P407 VanDerWaalsContact O-CG 3.32Å; L331-P407 WeakPolarHBondContact O-CG 3.39Å; N405-P407 WeakPolarHBondContact OD1-CD 3.42Å
408	G	88.8	Confident	94.3	Very high	43 Å²	43	24.8 Å²	24.8	44%	0.443	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-7.7	177.9	0	0	0	0	0	114.2	N405 F406	N405-G408 CarbonylContact O-C 3.46Å; N405-G408 PolarHBondContact O-N 2.89Å; N405-G408 PolarHBondContact OD1-N 2.93Å; F406-G408 VanDerWaalsContact C-N 3.28Å; F406-G408 PolarHBondContact O-N 3.3Å
409	G	91.8	Very high	93.8	Very high	15 Å²	15	25.6 Å²	25.6	16%	0.155	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	39.2	-176.6	0	0	0	0	0	112.8	N405 F406 D428 C429	N405-G409 PolarHBondContact O-N 3.17Å; F406-G409 PolarHBondContact O-N 3.38Å; G409-D428 CarbonylContact O-C 3.55Å; G409-C429 CarbonylContact C-O 3.47Å; G409-C429 WeakPolarHBondContact CA-O 3.42Å; G409-C429 PolarHBondContact O-N 3.07Å
410	I	94.9	Very high	93.4	Very high	16 Å²	16	26.7 Å²	26.7	8%	0.082	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.1	-176.5	-62.2	163.7	0	0	0	110.5	N405 S412 K426	N405-I410 HydrophobicContact CB-CB 4.17Å; N405-I410 PolarHBondContact N-O 3.44Å; N405-I410 PolarHBondContact O-N 2.8Å; I410-S412 WeakPolarHBondContact CG2-OG 3.47Å; I410-K426 HydrophobicContact CG2-CD 4.24Å; I410-K426 HydrophobicContact CG2-CG 4.04Å
411	L	97.8	Very high	93.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	122.3	162.4	167.6	64.3	0	0	0	108.3	L349 W372 I402 Y403 V404 F413 F427 F431	L349-L411 HydrophobicContact CB-CD2 4.42Å; L349-L411 HydrophobicContact CD1-CB 4.42Å; L349-L411 HydrophobicContact CD1-CD1 3.82Å; L349-L411 HydrophobicContact CD1-CD2 4.02Å; L349-L411 HydrophobicContact CD1-CG 4.3Å; L349-L411 HydrophobicContact CG-CD1 4.08Å; L349-L411 HydrophobicContact CG-CD2 4.05Å; W372-L411 HydrophobicContact CB-CD2 3.61Å; W372-L411 HydrophobicContact CG-CD2 4.43Å; I402-L411 HydrophobicContact CG2-CD1 3.7Å; Y403-L411 WeakPolarHBondContact O-CA 3.21Å; V404-L411 HydrophobicContact CG2-CD1 4.13Å; L411-F413 HydrophobicContact CD1-CE2 4Å; L411-F413 HydrophobicContact CD1-CZ 4.06Å; L411-F413 HydrophobicContact CD2-CE2 3.61Å; L411-F413 HydrophobicContact CD2-CZ 3.84Å; L411-F413 HydrophobicContact CG-CD2 4.34Å; L411-F413 HydrophobicContact CG-CE2 3.59Å; L411-F413 HydrophobicContact CG-CZ 4.06Å; L411-F427 HydrophobicContact CB-CB 4.34Å; L411-F427 HydrophobicContact CD2-CD2 4.02Å; L411-F427 HydrophobicContact CG-CD2 4.27Å; L411-F427 PolarHBondContact N-O 2.85Å; L411-F427 VanDerWaalsContact N-O 3.15Å; L411-F427 PolarHBondContact O-N 2.97Å; L411-F431 HydrophobicContact CB-CZ 4.28Å
412	S	97.9	Very high	93.1	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.014	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	141	179.6	-62.3	0	0	0	0	111.2	Y403 I410 H425	Y403-S412 PolarHBondContact N-O 3.06Å; Y403-S412 PolarHBondContact O-N 3.22Å; I410-S412 WeakPolarHBondContact CG2-OG 3.47Å; S412-H425 WeakPolarHBondContact CA-O 3.43Å
413	F	98.1	Very high	93.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129	175.1	-64.2	-93.4	0	0	0	109.4	V347 I374 G401 I402 L411 I424 H425 F427	V347-F413 HydrophobicContact CG1-CE1 4.35Å; V347-F413 WeakPolarHBondContact O-CE1 3.39Å; I374-F413 HydrophobicContact CB-CD1 4.15Å; I374-F413 HydrophobicContact CB-CD2 4.43Å; I374-F413 HydrophobicContact CB-CE1 4.18Å; I374-F413 HydrophobicContact CB-CE2 4.47Å; I374-F413 HydrophobicContact CB-CG 4.27Å; I374-F413 HydrophobicContact CB-CZ 4.34Å; I374-F413 HydrophobicContact CD1-CB 4.07Å; I374-F413 HydrophobicContact CD1-CG 4.23Å; I374-F413 HydrophobicContact CG2-CD1 3.6Å; I374-F413 HydrophobicContact CG2-CE1 3.69Å; I374-F413 HydrophobicContact CG2-CG 4.15Å; I374-F413 HydrophobicContact CG2-CZ 4.32Å; G401-F413 WeakPolarHBondContact O-CA 3.49Å; I402-F413 HydrophobicContact CG1-CD1 3.9Å; I402-F413 HydrophobicContact CG1-CE1 3.9Å; I402-F413 HydrophobicContact CG2-CE1 4.48Å; L411-F413 HydrophobicContact CD1-CE2 4Å; L411-F413 HydrophobicContact CD1-CZ 4.06Å; L411-F413 HydrophobicContact CD2-CE2 3.61Å; L411-F413 HydrophobicContact CD2-CZ 3.84Å; L411-F413 HydrophobicContact CG-CD2 4.34Å; L411-F413 HydrophobicContact CG-CE2 3.59Å; L411-F413 HydrophobicContact CG-CZ 4.06Å; F413-I424 HydrophobicContact CB-CB 4.4Å; F413-I424 WeakPolarHBondContact O-CB 3.47Å; F413-I424 PolarHBondContact O-N 2.91Å; F413-H425 PolarHBondContact N-O 3.07Å; F413-H425 PolarHBondContact O-N 3.25Å; F413-F427 HydrophobicContact CD2-CD2 4.3Å; F413-F427 HydrophobicContact CD2-CE2 4.17Å; F413-F427 AromaticContact CE2-CD2 3.83Å; F413-F427 HydrophobicContact CE2-CD2 3.83Å; F413-F427 AromaticContact CE2-CE2 3.64Å; F413-F427 HydrophobicContact CE2-CE2 3.64Å
414	Y	97.3	Very high	93	Very high	37 Å²	37	35.7 Å²	35.7	15%	0.145	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	139.2	178.8	-63.4	-93.4	0	0	0	110.1	F273 L400 G401 M421 T422 L423	F273-Y414 HydrophobicContact CE1-CD2 4.32Å; F273-Y414 AromaticContact CE1-CE2 3.69Å; F273-Y414 HydrophobicContact CE1-CE2 3.69Å; F273-Y414 HydrophobicContact CE2-CE1 4.48Å; F273-Y414 HydrophobicContact CE2-CE2 4.46Å; F273-Y414 HydrophobicContact CZ-CD2 4.19Å; F273-Y414 HydrophobicContact CZ-CE1 4.04Å; F273-Y414 AromaticContact CZ-CE2 3.53Å; F273-Y414 HydrophobicContact CZ-CE2 3.53Å; F273-Y414 AromaticContact CZ-CZ 3.46Å; F273-Y414 VanDerWaalsContact CZ-CZ 3.46Å; L400-Y414 CarbonylContact C-O 3.45Å; L400-Y414 WeakPolarHBondContact CA-O 3.33Å; G401-Y414 PolarHBondContact N-O 3.17Å; G401-Y414 PolarHBondContact O-N 3.37Å; Y414-M421 HydrophobicContact CD1-CB 4.49Å; Y414-M421 HydrophobicContact CD1-CE 4.24Å; Y414-M421 HydrophobicContact CD2-CE 4.06Å; Y414-M421 HydrophobicContact CG-CE 3.7Å; Y414-T422 CarbonylContact C-O 3.54Å; Y414-T422 WeakPolarHBondContact CA-O 3.37Å; Y414-L423 HydrophobicContact CD1-CB 4.09Å; Y414-L423 HydrophobicContact CD1-CD1 4.14Å; Y414-L423 HydrophobicContact CE1-CB 3.88Å; Y414-L423 HydrophobicContact CE1-CD1 3.63Å; Y414-L423 HydrophobicContact CE1-CG 4.35Å; Y414-L423 HydrophobicContact CE2-CD1 4.31Å
415	G	96.4	Very high	93	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126.3	162.4	0	0	0	0	0	108.7	F397 M421 T422	F397-G415 VanDerWaalsContact CG-CA 3.42Å; G415-M421 WeakPolarHBondContact O-CA 3.39Å; G415-T422 PolarHBondContact N-O 3.42Å; G415-T422 PolarHBondContact O-N 3.09Å
416	V	94.6	Very high	93.2	Very high	6 Å²	6	42 Å²	42	4%	0.036	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	113.7	-177.4	-176.9	0	0	0	0	108.8	E337 R399 M421 P457	E337-V416 HydrophobicContact CG-CG2 4.46Å; R399-V416 HydrophobicContact CB-CB 4.36Å; R399-V416 HydrophobicContact CG-CB 4.08Å; R399-V416 PolarHBondContact O-N 2.84Å; V416-M421 HydrophobicContact CG2-CE 4.17Å; V416-M421 HydrophobicContact CG2-CG 4.39Å; V416-P457 HydrophobicContact CG1-CG 4.02Å
417	E	90.6	Very high	93.4	Very high	99 Å²	99	42.3 Å²	42.3	46%	0.463	23%	0.229	S	C	.	.			trans	-111.4	177.3	169	-66.2	-179.9	142.3	0	0	108.9	F397 D419 A420	F397-E417 HydrophobicContact CD1-CG 4.05Å; F397-E417 HydrophobicContact CE1-CG 3.89Å; E417-D419 VanDerWaalsContact C-N 3.34Å; E417-D419 PolarHBondContact O-N 3.45Å; E417-A420 PolarHBondContact N-O 3.42Å
418	Y	84.7	Confident	93.8	Very high	97 Å²	97	46.7 Å²	46.7	38%	0.38	25%	0.25	S	S	.	.	S	Bend	trans	-52.7	-46.9	-173.9	-177	-103	0	0	0	113.7	E456 P457 K459	Y418-E456 WeakPolarHBondContact CE2-OE2 3.14Å; Y418-E456 PolarHBondContact OH-OE2 2.86Å; Y418-P457 WeakPolarHBondContact CD2-O 3.44Å; Y418-K459 HydrophobicContact CD2-CB 4.36Å
419	D	81.6	Confident	94	Very high	143 Å²	143	45 Å²	45	77%	0.765	23%	0.232	S	C	*	.	S	Bend	trans	-120	4.9	-174.2	60.7	-18.1	0	0	0	113.6	E417	E417-D419 VanDerWaalsContact C-N 3.34Å; E417-D419 PolarHBondContact O-N 3.45Å
420	A	88.5	Confident	93.8	Very high	37 Å²	37	52 Å²	52	31%	0.306	26%	0.258	S	S	.	.			trans	-139.3	140.4	-173.1	0	0	0	0	0	113.3	E417	E417-A420 PolarHBondContact N-O 3.42Å
421	M	92.6	Very high	93.4	Very high	39 Å²	39	52.7 Å²	52.7	19%	0.192	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116.3	164.4	-74.2	-171.2	73.2	0	0	109.5	R270 F273 Y335 Y414 G415 V416	R270-M421 WeakPolarHBondContact CA-SD 3.28Å; R270-M421 HydrophobicContact CB-CG 4.2Å; R270-M421 HydrophobicContact CB-SD 3.65Å; R270-M421 HydrophobicContact CG-SD 4.04Å; F273-M421 HydrophobicContact CD2-CE 3.53Å; F273-M421 HydrophobicContact CD2-SD 3.44Å; F273-M421 WeakPolarHBondContact CD2-SD 3.43Å; F273-M421 HydrophobicContact CE2-CE 3.77Å; F273-M421 HydrophobicContact CE2-SD 3.92Å; F273-M421 HydrophobicContact CG-CE 4.02Å; F273-M421 HydrophobicContact CG-SD 4.26Å; F273-M421 HydrophobicContact CZ-CE 4.41Å; Y335-M421 HydrophobicContact CE2-CE 3.95Å; Y335-M421 WeakPolarHBondContact OH-CE 3.41Å; Y414-M421 HydrophobicContact CD1-CB 4.49Å; Y414-M421 HydrophobicContact CD1-CE 4.24Å; Y414-M421 HydrophobicContact CD2-CE 4.06Å; Y414-M421 HydrophobicContact CG-CE 3.7Å; G415-M421 WeakPolarHBondContact O-CA 3.39Å; V416-M421 HydrophobicContact CG2-CE 4.17Å; V416-M421 HydrophobicContact CG2-CG 4.39Å
422	T	95.2	Very high	92.6	Very high	57 Å²	57	56 Å²	56	35%	0.35	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.7	-179.4	-60.9	0	0	0	0	109.8	F397 Y414 G415 I424	F397-T422 HydrophobicContact CE2-CG2 4.14Å; F397-T422 HydrophobicContact CZ-CG2 3.94Å; Y414-T422 CarbonylContact C-O 3.54Å; Y414-T422 WeakPolarHBondContact CA-O 3.37Å; G415-T422 PolarHBondContact N-O 3.42Å; G415-T422 PolarHBondContact O-N 3.09Å; T422-I424 PolarHBondContact O-N 3.49Å
423	L	96.5	Very high	92.1	Very high	87 Å²	87	60.4 Å²	60.4	46%	0.455	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	122	174.9	179.8	68.2	0	0	0	109.9	Y414 K426	Y414-L423 HydrophobicContact CD1-CB 4.09Å; Y414-L423 HydrophobicContact CD1-CD1 4.14Å; Y414-L423 HydrophobicContact CE1-CB 3.88Å; Y414-L423 HydrophobicContact CE1-CD1 3.63Å; Y414-L423 HydrophobicContact CE1-CG 4.35Å; Y414-L423 HydrophobicContact CE2-CD1 4.31Å; L423-K426 HydrophobicContact CD1-CB 4.4Å
424	I	96.7	Very high	91.8	Very high	9 Å²	9	62.7 Å²	62.7	5%	0.046	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-50.1	174.7	-53.8	176.5	0	0	0	109.6	I374 F381 L392 V394 F397 L400 F413 T422	I374-I424 HydrophobicContact CD1-CB 4.13Å; I374-I424 HydrophobicContact CD1-CG2 3.42Å; I374-I424 VanDerWaalsContact CD1-CG2 3.42Å; F381-I424 HydrophobicContact CB-CG2 4.15Å; F381-I424 HydrophobicContact CD2-CD1 4.41Å; F381-I424 HydrophobicContact CD2-CG2 4.01Å; F381-I424 HydrophobicContact CE2-CD1 4.05Å; F381-I424 HydrophobicContact CG-CG2 4.08Å; F381-I424 HydrophobicContact CZ-CD1 4.23Å; L392-I424 HydrophobicContact CD1-CG2 3.87Å; V394-I424 HydrophobicContact CB-CG2 4.29Å; V394-I424 HydrophobicContact CG1-CG1 4.23Å; V394-I424 HydrophobicContact CG1-CG2 4.32Å; V394-I424 HydrophobicContact CG2-CG2 4.31Å; F397-I424 HydrophobicContact CD2-CD1 3.82Å; F397-I424 HydrophobicContact CD2-CG1 4.07Å; F397-I424 HydrophobicContact CE2-CG1 4.29Å; L400-I424 HydrophobicContact CD2-CD1 3.29Å; F413-I424 HydrophobicContact CB-CB 4.4Å; F413-I424 WeakPolarHBondContact O-CB 3.47Å; F413-I424 PolarHBondContact O-N 2.91Å; T422-I424 PolarHBondContact O-N 3.49Å
425	H	97.4	Very high	91.8	Very high	41 Å²	41	61 Å²	61	19%	0.19	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	153.3	179.1	-163.8	65.8	0	0	0	111.9	I374 L392 S412 F413 F427	I374-H425 HydrophobicContact CD1-CB 4.48Å; L392-H425 HydrophobicContact CD1-CB 3.8Å; S412-H425 WeakPolarHBondContact CA-O 3.43Å; F413-H425 PolarHBondContact N-O 3.07Å; F413-H425 PolarHBondContact O-N 3.25Å; H425-F427 AromaticContact CD2-CD1 3.9Å; H425-F427 AromaticContact CD2-CD2 3.62Å; H425-F427 AromaticContact CD2-CE1 3.75Å; H425-F427 AromaticContact CD2-CE2 3.46Å; H425-F427 VanDerWaalsContact CD2-CE2 3.46Å; H425-F427 WeakPolarHBondContact CD2-CE2 3.26Å; H425-F427 AromaticContact CD2-CG 3.85Å; H425-F427 AromaticContact CD2-CZ 3.54Å; H425-F427 AromaticContact NE2-CD1 3.65Å; H425-F427 AromaticContact NE2-CE1 3.55Å; H425-F427 AromaticContact NE2-CZ 3.83Å
426	K	97.2	Very high	91.9	Very high	98 Å²	98	62.9 Å²	62.9	43%	0.426	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	123.1	173.8	176.6	-178.2	171.2	-170.6	0	109	I410 L423	I410-K426 HydrophobicContact CG2-CD 4.24Å; I410-K426 HydrophobicContact CG2-CG 4.04Å; L423-K426 HydrophobicContact CD1-CB 4.4Å
427	F	97.1	Very high	92	Very high	21 Å²	21	62.6 Å²	62.6	9%	0.092	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	135.6	171.4	-67.1	-80	0	0	0	110.7	W372 A383 H385 L411 F413 H425 C429	W372-F427 HydrophobicContact CB-CD2 4.16Å; W372-F427 HydrophobicContact CB-CE2 4.24Å; W372-F427 HydrophobicContact CB-CG 4.31Å; W372-F427 HydrophobicContact CB-CZ 4.49Å; W372-F427 AromaticContact CD1-CD1 3.75Å; W372-F427 AromaticContact CD1-CG 3.93Å; W372-F427 HydrophobicContact CG-CG 4.41Å; A383-F427 HydrophobicContact CB-CE1 4.09Å; A383-F427 HydrophobicContact CB-CE2 4.45Å; A383-F427 HydrophobicContact CB-CZ 3.62Å; H385-F427 HydrophobicContact CB-CE1 4.23Å; L411-F427 HydrophobicContact CB-CB 4.34Å; L411-F427 HydrophobicContact CD2-CD2 4.02Å; L411-F427 HydrophobicContact CG-CD2 4.27Å; L411-F427 PolarHBondContact N-O 2.85Å; L411-F427 VanDerWaalsContact N-O 3.15Å; L411-F427 PolarHBondContact O-N 2.97Å; F413-F427 HydrophobicContact CD2-CD2 4.3Å; F413-F427 HydrophobicContact CD2-CE2 4.17Å; F413-F427 AromaticContact CE2-CD2 3.83Å; F413-F427 HydrophobicContact CE2-CD2 3.83Å; F413-F427 AromaticContact CE2-CE2 3.64Å; F413-F427 HydrophobicContact CE2-CE2 3.64Å; H425-F427 AromaticContact CD2-CD1 3.9Å; H425-F427 AromaticContact CD2-CD2 3.62Å; H425-F427 AromaticContact CD2-CE1 3.75Å; H425-F427 AromaticContact CD2-CE2 3.46Å; H425-F427 VanDerWaalsContact CD2-CE2 3.46Å; H425-F427 WeakPolarHBondContact CD2-CE2 3.26Å; H425-F427 AromaticContact CD2-CG 3.85Å; H425-F427 AromaticContact CD2-CZ 3.54Å; H425-F427 AromaticContact NE2-CD1 3.65Å; H425-F427 AromaticContact NE2-CE1 3.55Å; H425-F427 AromaticContact NE2-CZ 3.83Å; F427-C429 VanDerWaalsContact CB-SG 3.53Å
428	D	94.9	Very high	92.4	Very high	133 Å²	133	57.9 Å²	57.9	71%	0.711	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	107.2	161.9	-64.9	-48.8	0	0	0	108.4	G409	G409-D428 CarbonylContact O-C 3.55Å
429	C	91.7	Very high	93.1	Very high	9 Å²	9	53.2 Å²	53.2	6%	0.061	28%	0.278	C	S	.	.			trans	-105.7	136.3	-170.3	-56.9	0	0	0	0	111.4	W372 G409 F427 F431	W372-C429 HydrophobicContact CD2-CB 4.4Å; W372-C429 HydrophobicContact CH2-CB 4.31Å; W372-C429 HydrophobicContact CZ2-CB 3.94Å; G409-C429 CarbonylContact C-O 3.47Å; G409-C429 WeakPolarHBondContact CA-O 3.42Å; G409-C429 PolarHBondContact O-N 3.07Å; F427-C429 VanDerWaalsContact CB-SG 3.53Å; C429-F431 HydrophobicContact CB-CD1 3.98Å; C429-F431 HydrophobicContact CB-CD2 4.05Å; C429-F431 HydrophobicContact CB-CE1 3.54Å; C429-F431 HydrophobicContact CB-CE2 3.62Å; C429-F431 HydrophobicContact CB-CG 4.22Å; C429-F431 HydrophobicContact CB-CZ 3.35Å; C429-F431 PolarHBondContact O-N 3.31Å
430	K	88.6	Confident	93.9	Very high	160 Å²	160	47.4 Å²	47.4	70%	0.696	25%	0.245	S	C	*	.			trans	-91.9	74.9	170	-67.6	-173.4	174.3	-170.5	0	110.4	E244 S432	E244-K430 IonicContact OE1-NZ 3.68Å; E244-K430 PolarHBondContact OE1-NZ 2.96Å; K430-S432 PolarHBondContact O-N 2.85Å
431	F	86.4	Confident	94.4	Very high	31 Å²	31	45.7 Å²	45.7	14%	0.136	23%	0.23	C	C	.	.			trans	-70.6	126	178.3	-59.6	-54.2	0	0	0	111.8	L349 W372 V404 F406 L411 C429 V435	L349-F431 HydrophobicContact CD1-CE1 4.02Å; L349-F431 HydrophobicContact CD1-CZ 3.96Å; W372-F431 HydrophobicContact CE3-CE1 4.1Å; W372-F431 HydrophobicContact CH2-CD1 4.17Å; W372-F431 HydrophobicContact CH2-CE1 4.25Å; W372-F431 AromaticContact CZ3-CD1 3.98Å; W372-F431 HydrophobicContact CZ3-CD1 3.98Å; W372-F431 AromaticContact CZ3-CE1 3.77Å; W372-F431 HydrophobicContact CZ3-CE1 3.77Å; V404-F431 HydrophobicContact CG1-CE2 4.2Å; V404-F431 HydrophobicContact CG1-CZ 4.19Å; F406-F431 HydrophobicContact CD1-CB 4.36Å; F406-F431 HydrophobicContact CD2-CB 4.08Å; F406-F431 HydrophobicContact CD2-CD2 4.25Å; F406-F431 HydrophobicContact CD2-CG 4.16Å; F406-F431 HydrophobicContact CE1-CB 3.99Å; F406-F431 HydrophobicContact CE2-CB 3.7Å; F406-F431 HydrophobicContact CE2-CG 4.15Å; F406-F431 HydrophobicContact CG-CB 4.38Å; F406-F431 HydrophobicContact CG-CD2 4.33Å; F406-F431 HydrophobicContact CZ-CB 3.63Å; L411-F431 HydrophobicContact CB-CZ 4.28Å; C429-F431 HydrophobicContact CB-CD1 3.98Å; C429-F431 HydrophobicContact CB-CD2 4.05Å; C429-F431 HydrophobicContact CB-CE1 3.54Å; C429-F431 HydrophobicContact CB-CE2 3.62Å; C429-F431 HydrophobicContact CB-CG 4.22Å; C429-F431 HydrophobicContact CB-CZ 3.35Å; C429-F431 PolarHBondContact O-N 3.31Å; F431-V435 HydrophobicContact CD1-CG1 3.77Å; F431-V435 HydrophobicContact CE1-CG1 4.06Å
432	S	80.9	Confident	94.5	Very high	70 Å²	70	45.9 Å²	45.9	49%	0.49	24%	0.236	S	C	.	.			trans	-119.9	-36.7	174.7	53.9	0	0	0	0	112.5	K430	K430-S432 PolarHBondContact O-N 2.85Å
433	E	87.2	Confident	94.5	Very high	95 Å²	95	48.4 Å²	48.4	44%	0.444	24%	0.242	S	C	.	.	S	Bend	trans	-111.1	161	-177	-67.1	176.2	-155.2	0	0	111.4	F406 V435	F406-E433 VanDerWaalsContact CE2-O 3.25Å; F406-E433 WeakPolarHBondContact CE2-O 3.27Å; F406-E433 WeakPolarHBondContact CZ-O 3.37Å; E433-V435 PolarHBondContact O-N 2.94Å
434	P	92.2	Very high	94.5	Very high	48 Å²	48	50.1 Å²	50.1	31%	0.312	25%	0.245	S	C	.	.			trans	-54.7	128.9	165.4	-22.6	33.1	0	0	0	111	Y330	Y330-P434 HydrophobicContact CD1-CG 4.45Å; Y330-P434 HydrophobicContact CD2-CB 4.18Å; Y330-P434 HydrophobicContact CD2-CG 3.79Å; Y330-P434 HydrophobicContact CE2-CG 4.24Å; Y330-P434 HydrophobicContact CG-CB 4.29Å; Y330-P434 HydrophobicContact CG-CG 3.94Å
435	V	96.5	Very high	94.4	Very high	1 Å²	1	56 Å²	56	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	148.1	-178.4	-65.8	0	0	0	0	110.9	S328 L329 L349 T350 F406 F431 E433	S328-V435 CarbonylContact C-O 3.59Å; S328-V435 WeakPolarHBondContact CA-O 3.48Å; L329-V435 HydrophobicContact CB-CG2 3.94Å; L329-V435 PolarHBondContact N-O 3.23Å; L329-V435 PolarHBondContact O-N 3.46Å; L329-V435 VanDerWaalsContact O-N 3.08Å; L349-V435 HydrophobicContact CB-CB 4.34Å; L349-V435 HydrophobicContact CD1-CB 4.45Å; L349-V435 HydrophobicContact CD1-CG2 3.91Å; L349-V435 HydrophobicContact CD2-CG2 4.35Å; T350-V435 CarbonylContact O-C 3.58Å; T350-V435 WeakPolarHBondContact O-CA 3.41Å; F406-V435 HydrophobicContact CD2-CG2 4.34Å; F406-V435 HydrophobicContact CE2-CG2 4.43Å; F431-V435 HydrophobicContact CD1-CG1 3.77Å; F431-V435 HydrophobicContact CE1-CG1 4.06Å; E433-V435 PolarHBondContact O-N 2.94Å
436	Y	98.3	Very high	94.4	Very high	39 Å²	39	54.2 Å²	54.2	15%	0.153	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	141.6	179.1	-67.3	-103.2	0	0	0	108.5	S325 Q327 L349 T350 K352 A438	S325-Y436 WeakPolarHBondContact O-CD1 3.29Å; Q327-Y436 WeakPolarHBondContact O-CD1 3.49Å; L349-Y436 VanDerWaalsContact CA-O 3.3Å; L349-Y436 WeakPolarHBondContact CA-O 3.27Å; T350-Y436 PolarHBondContact N-O 2.96Å; T350-Y436 PolarHBondContact O-N 3.13Å; K352-Y436 HydrophobicContact CB-CD2 4.4Å; K352-Y436 HydrophobicContact CB-CE2 3.78Å; K352-Y436 HydrophobicContact CG-CE2 4.38Å; Y436-A438 PolarHBondContact O-N 2.91Å
437	A	98.3	Very high	94.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	132.2	167.6	0	0	0	0	0	108.3	I280 L324 S325 F336 G348 F439	I280-A437 HydrophobicContact CG2-CB 4.29Å; L324-A437 CarbonylContact C-O 3.43Å; L324-A437 VanDerWaalsContact CA-O 3.31Å; L324-A437 WeakPolarHBondContact CA-O 3.15Å; S325-A437 PolarHBondContact N-O 3.12Å; S325-A437 PolarHBondContact OG-N 3Å; F336-A437 HydrophobicContact CE1-CB 4.27Å; F336-A437 HydrophobicContact CE2-CB 4.16Å; F336-A437 HydrophobicContact CZ-CB 3.63Å; G348-A437 WeakPolarHBondContact O-CA 3.49Å; A437-F439 HydrophobicContact CB-CE2 3.71Å; A437-F439 HydrophobicContact CB-CZ 3.62Å
438	A	98.6	Very high	94.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135.9	-170.6	0	0	0	0	0	110.2	L324 G348 T350 I365 Y436	L324-A438 HydrophobicContact CD2-CB 3.62Å; G348-A438 PolarHBondContact N-O 3Å; G348-A438 PolarHBondContact O-N 3.35Å; T350-A438 HydrophobicContact CG2-CB 3.71Å; I365-A438 HydrophobicContact CD1-CB 4.37Å; I365-A438 HydrophobicContact CG2-CB 3.72Å; Y436-A438 PolarHBondContact O-N 2.91Å
439	F	98.6	Very high	94.7	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	130.1	-168.6	-50.4	-87.9	0	0	0	109.2	F282 Q322 V323 F336 V338 Y346 V347 A437 L441 I448	F282-F439 AromaticContact CD1-CD2 3.7Å; F282-F439 HydrophobicContact CD1-CD2 3.7Å; F282-F439 AromaticContact CD1-CE2 3.79Å; F282-F439 HydrophobicContact CD1-CE2 3.79Å; F282-F439 HydrophobicContact CD1-CG 4.35Å; F282-F439 HydrophobicContact CE1-CB 4.34Å; F282-F439 AromaticContact CE1-CD1 3.98Å; F282-F439 HydrophobicContact CE1-CD1 3.98Å; F282-F439 AromaticContact CE1-CD2 3.36Å; F282-F439 HydrophobicContact CE1-CD2 3.36Å; F282-F439 HydrophobicContact CE1-CE1 4.07Å; F282-F439 AromaticContact CE1-CE2 3.45Å; F282-F439 HydrophobicContact CE1-CE2 3.45Å; F282-F439 VanDerWaalsContact CE1-CE2 3.45Å; F282-F439 AromaticContact CE1-CG 3.62Å; F282-F439 HydrophobicContact CE1-CG 3.62Å; F282-F439 AromaticContact CE1-CZ 3.8Å; F282-F439 HydrophobicContact CE1-CZ 3.8Å; Q322-F439 CarbonylContact C-O 3.52Å; Q322-F439 WeakPolarHBondContact CA-O 3.46Å; V323-F439 HydrophobicContact CG1-CB 3.88Å; V323-F439 HydrophobicContact CG1-CD2 4.26Å; V323-F439 HydrophobicContact CG1-CG 4.47Å; V323-F439 PolarHBondContact N-O 3.36Å; V323-F439 WeakPolarHBondContact O-CD2 3.2Å; V323-F439 PolarHBondContact O-N 2.85Å; F336-F439 HydrophobicContact CE2-CZ 4.34Å; V338-F439 HydrophobicContact CG1-CE1 4.12Å; Y346-F439 WeakPolarHBondContact O-CA 3.39Å; V347-F439 HydrophobicContact CG1-CD1 4.14Å; V347-F439 HydrophobicContact CG1-CE1 3.97Å; V347-F439 HydrophobicContact CG2-CD1 4.19Å; A437-F439 HydrophobicContact CB-CE2 3.71Å; A437-F439 HydrophobicContact CB-CZ 3.62Å; F439-L441 HydrophobicContact CB-CD1 4.43Å; F439-I448 HydrophobicContact CB-CD1 4.09Å; F439-I448 HydrophobicContact CD1-CD1 4.17Å; F439-I448 HydrophobicContact CD1-CG2 4.06Å; F439-I448 HydrophobicContact CE1-CG2 4.38Å
440	W	98.5	Very high	94.9	Very high	21 Å²	21	44.9 Å²	44.9	8%	0.08	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	121.9	177.4	177.8	17.6	0	0	0	109.8	W320 Q322 T345 Y346 C364 I365	W320-W440 AromaticContact CE3-CE2 3.94Å; W320-W440 HydrophobicContact CE3-CH2 4.14Å; W320-W440 AromaticContact CE3-CZ2 3.59Å; W320-W440 HydrophobicContact CE3-CZ2 3.59Å; W320-W440 AromaticContact CZ3-CH2 3.8Å; W320-W440 HydrophobicContact CZ3-CH2 3.8Å; W320-W440 AromaticContact CZ3-CZ2 3.52Å; W320-W440 HydrophobicContact CZ3-CZ2 3.52Å; Q322-W440 HydrophobicContact CG-CB 3.8Å; Q322-W440 HydrophobicContact CG-CG 3.91Å; T345-W440 CarbonylContact C-O 3.55Å; T345-W440 WeakPolarHBondContact CA-O 3.48Å; Y346-W440 AromaticContact CD1-CE3 3.79Å; Y346-W440 HydrophobicContact CD1-CE3 3.79Å; Y346-W440 HydrophobicContact CD1-CZ3 4.01Å; Y346-W440 HydrophobicContact CD2-CB 4.25Å; Y346-W440 AromaticContact CD2-CD2 3.75Å; Y346-W440 HydrophobicContact CD2-CD2 3.75Å; Y346-W440 AromaticContact CD2-CE3 3.39Å; Y346-W440 HydrophobicContact CD2-CE3 3.39Å; Y346-W440 HydrophobicContact CD2-CG 4.17Å; Y346-W440 AromaticContact CD2-CZ3 3.93Å; Y346-W440 HydrophobicContact CD2-CZ3 3.93Å; Y346-W440 AromaticContact CE1-CE3 3.9Å; Y346-W440 HydrophobicContact CE1-CE3 3.9Å; Y346-W440 AromaticContact CE1-CZ3 3.64Å; Y346-W440 HydrophobicContact CE1-CZ3 3.64Å; Y346-W440 HydrophobicContact CE2-CD2 4.01Å; Y346-W440 AromaticContact CE2-CE3 3.54Å; Y346-W440 HydrophobicContact CE2-CE3 3.54Å; Y346-W440 HydrophobicContact CE2-CH2 4.03Å; Y346-W440 HydrophobicContact CE2-CZ2 4.44Å; Y346-W440 AromaticContact CE2-CZ3 3.56Å; Y346-W440 HydrophobicContact CE2-CZ3 3.56Å; Y346-W440 HydrophobicContact CG-CB 4.36Å; Y346-W440 HydrophobicContact CG-CD2 4.24Å; Y346-W440 AromaticContact CG-CE3 3.57Å; Y346-W440 HydrophobicContact CG-CE3 3.57Å; Y346-W440 HydrophobicContact CG-CZ3 4.18Å; Y346-W440 AromaticContact CZ-CE3 3.82Å; Y346-W440 AromaticContact CZ-CH2 4Å; Y346-W440 AromaticContact CZ-CZ3 3.43Å; Y346-W440 VanDerWaalsContact CZ-CZ3 3.43Å; Y346-W440 PolarHBondContact N-O 3.49Å; Y346-W440 PolarHBondContact O-N 3.25Å; C364-W440 HydrophobicContact CB-CE3 4.41Å; C364-W440 HydrophobicContact CB-CZ3 4.26Å; I365-W440 HydrophobicContact CD1-CB 4.1Å; I365-W440 HydrophobicContact CG1-CB 4.31Å; I365-W440 HydrophobicContact CG1-CE3 4.39Å
441	L	98.4	Very high	95.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	83.4	-178.2	-61.5	91.8	0	0	0	108.6	L291 V300 N302 R321 F439 K443 N446 I448	L291-L441 HydrophobicContact CD1-CD1 4.15Å; L291-L441 HydrophobicContact CD2-CB 3.98Å; L291-L441 HydrophobicContact CD2-CD1 4.17Å; L291-L441 HydrophobicContact CD2-CG 4.5Å; V300-L441 HydrophobicContact CG1-CD1 3.82Å; V300-L441 HydrophobicContact CG1-CD2 4Å; V300-L441 HydrophobicContact CG2-CD1 4.12Å; V300-L441 HydrophobicContact CG2-CD2 4.44Å; N302-L441 HydrophobicContact CB-CB 4Å; N302-L441 PolarHBondContact ND2-O 3.14Å; R321-L441 VanDerWaalsContact CB-O 3.32Å; R321-L441 WeakPolarHBondContact CB-O 3.42Å; R321-L441 PolarHBondContact O-N 3.2Å; F439-L441 HydrophobicContact CB-CD1 4.43Å; L441-K443 PolarHBondContact O-N 3.29Å; L441-N446 HydrophobicContact CB-CB 3.9Å; L441-N446 HydrophobicContact CD2-CB 4.15Å; L441-N446 VanDerWaalsContact CD2-O 3.28Å; L441-N446 WeakPolarHBondContact CD2-O 3.39Å; L441-N446 HydrophobicContact CG-CB 4.39Å; L441-I448 HydrophobicContact CD1-CD1 4.18Å; L441-I448 HydrophobicContact CD2-CD1 4.41Å; L441-I448 HydrophobicContact CD2-CG1 4.15Å; L441-I448 HydrophobicContact CG-CD1 4.05Å; L441-I448 HydrophobicContact CG-CG1 4.32Å
442	S	95.6	Very high	95.3	Very high	43 Å²	43	39.2 Å²	39.2	30%	0.301	20%	0.197	S	C	.	.			trans	-71.6	-27.1	-167	66.8	0	0	0	0	114.2	G344 N446	G344-S442 WeakPolarHBondContact CA-OG 3.2Å; G344-S442 WeakPolarHBondContact O-CB 3.46Å; G344-S442 PolarHBondContact O-N 3.36Å; G344-S442 VanDerWaalsContact O-N 3.11Å; G344-S442 PolarHBondContact O-OG 3.3Å; S442-N446 PolarHBondContact N-OD1 3.31Å
443	K	95.7	Very high	95.3	Very high	111 Å²	111	37.3 Å²	37.3	48%	0.483	18%	0.182	S	C	.	.	S	Bend	trans	-113.9	157.4	-176.9	-55	-168.6	-162.1	159.5	0	112.4	N302 G343 L441 N446	N302-K443 WeakPolarHBondContact CB-O 3.41Å; N302-K443 PolarHBondContact ND2-O 2.96Å; G343-K443 VanDerWaalsContact O-CD 3.22Å; G343-K443 WeakPolarHBondContact O-CD 3.5Å; G343-K443 PolarHBondContact O-NZ 3.28Å; L441-K443 PolarHBondContact O-N 3.29Å; K443-N446 PolarHBondContact N-OD1 3.07Å; K443-N446 VanDerWaalsContact O-CB 3.26Å; K443-N446 WeakPolarHBondContact O-CB 3.35Å; K443-N446 VanDerWaalsContact O-CG 3.24Å; K443-N446 PolarHBondContact O-N 3.14Å; K443-N446 PolarHBondContact O-OD1 3.29Å
444	K	95.7	Very high	94.4	Very high	122 Å²	122	36.1 Å²	36.1	53%	0.53	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	143.1	171.3	179.7	-178.9	178.3	-158.9	0	110.2	T304 N446	T304-K444 VanDerWaalsContact O-CD 3.31Å; T304-K444 WeakPolarHBondContact O-CD 3.13Å; T304-K444 WeakPolarHBondContact O-CE 3.37Å; T304-K444 WeakPolarHBondContact O-CG 3.37Å; K444-N446 PolarHBondContact O-N 2.83Å
445	E	95.2	Very high	92.9	Very high	132 Å²	132	37.9 Å²	37.9	62%	0.617	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.3	3.6	179.1	-69.8	157.3	-148.1	0	0	115	N302 A447	N302-E445 PolarHBondContact O-N 2.87Å; E445-A447 PolarHBondContact O-N 2.94Å
446	N	97.7	Very high	91.3	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	23%	0.226	C	C	.	.			trans	-59.2	135.1	164.3	-72.8	176.9	0	0	0	109.1	T301 N302 S341 G343 G344 T345 L441 S442 K443 K444	T301-N446 CarbonylContact C-O 3.56Å; T301-N446 WeakPolarHBondContact CA-O 3.33Å; N302-N446 HydrophobicContact CB-CB 4.48Å; N302-N446 PolarHBondContact N-O 3.07Å; S341-N446 WeakPolarHBondContact O-CA 3.35Å; G343-N446 PolarHBondContact O-ND2 3.39Å; G344-N446 WeakPolarHBondContact CA-OD1 3.48Å; G344-N446 PolarHBondContact O-OD1 3.5Å; T345-N446 HydrophobicContact CG2-CB 3.84Å; L441-N446 HydrophobicContact CB-CB 3.9Å; L441-N446 HydrophobicContact CD2-CB 4.15Å; L441-N446 VanDerWaalsContact CD2-O 3.28Å; L441-N446 WeakPolarHBondContact CD2-O 3.39Å; L441-N446 HydrophobicContact CG-CB 4.39Å; S442-N446 PolarHBondContact N-OD1 3.31Å; K443-N446 PolarHBondContact N-OD1 3.07Å; K443-N446 VanDerWaalsContact O-CB 3.26Å; K443-N446 WeakPolarHBondContact O-CB 3.35Å; K443-N446 VanDerWaalsContact O-CG 3.24Å; K443-N446 PolarHBondContact O-N 3.14Å; K443-N446 PolarHBondContact O-OD1 3.29Å; K444-N446 PolarHBondContact O-N 2.83Å
447	A	97.9	Very high	89.5	Confident	13 Å²	13	42.4 Å²	42.4	11%	0.107	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	147.3	174.3	0	0	0	0	0	111.1	V300 T301 S341 E445	V300-A447 CarbonylContact O-C 3.6Å; V300-A447 WeakPolarHBondContact O-CA 3.32Å; T301-A447 HydrophobicContact CG2-CB 4.2Å; T301-A447 WeakPolarHBondContact OG1-CB 3.5Å; S341-A447 PolarHBondContact N-O 3.01Å; S341-A447 PolarHBondContact O-N 3.4Å; E445-A447 PolarHBondContact O-N 2.94Å
448	I	98.3	Very high	87.6	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	128.8	173.9	-59.1	174.2	0	0	0	107.6	F282 K299 V300 V338 E339 L340 T345 V347 F439 L441	F282-I448 HydrophobicContact CZ-CB 4.47Å; F282-I448 HydrophobicContact CZ-CG2 4.19Å; K299-I448 WeakPolarHBondContact CA-O 3.46Å; V300-I448 HydrophobicContact CG1-CB 3.91Å; V300-I448 PolarHBondContact N-O 3.46Å; V300-I448 PolarHBondContact O-N 3.04Å; V338-I448 HydrophobicContact CB-CG2 4.08Å; V338-I448 HydrophobicContact CG1-CG2 4.47Å; E339-I448 VanDerWaalsContact O-CA 3.32Å; E339-I448 WeakPolarHBondContact O-CA 3.44Å; L340-I448 HydrophobicContact CD2-CD1 4.25Å; L340-I448 HydrophobicContact CD2-CG1 3.91Å; L340-I448 HydrophobicContact CD2-CG2 4.28Å; T345-I448 HydrophobicContact CG2-CD1 4.34Å; T345-I448 HydrophobicContact CG2-CG1 4.13Å; V347-I448 HydrophobicContact CG2-CD1 4Å; F439-I448 HydrophobicContact CB-CD1 4.09Å; F439-I448 HydrophobicContact CD1-CD1 4.17Å; F439-I448 HydrophobicContact CD1-CG2 4.06Å; F439-I448 HydrophobicContact CE1-CG2 4.38Å; L441-I448 HydrophobicContact CD1-CD1 4.18Å; L441-I448 HydrophobicContact CD2-CD1 4.41Å; L441-I448 HydrophobicContact CD2-CG1 4.15Å; L441-I448 HydrophobicContact CG-CD1 4.05Å; L441-I448 HydrophobicContact CG-CG1 4.32Å
449	R	97.7	Very high	85	Confident	44 Å²	44	56 Å²	56	17%	0.166	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.7	174.6	-174.8	-178.4	78.6	101.3	-3.5	109.1	E295 R298 K299 V338 E339 E455	E295-R449 WeakPolarHBondContact OE2-CD 3.49Å; R298-R449 CarbonylContact O-C 3.52Å; R298-R449 WeakPolarHBondContact O-CA 3.44Å; K299-R449 HydrophobicContact CB-CG 4.46Å; K299-R449 HydrophobicContact CG-CB 4.5Å; V338-R449 CarbonylContact C-O 3.57Å; V338-R449 WeakPolarHBondContact CA-O 3.41Å; E339-R449 HydrophobicContact CB-CB 4.39Å; E339-R449 PolarHBondContact N-O 3.42Å; E339-R449 PolarHBondContact O-N 3.33Å; E339-R449 IonicContact OE1-CZ 3.22Å; E339-R449 IonicContact OE1-NH2 2.71Å; E339-R449 PolarHBondContact OE1-NH2 2.96Å; E339-R449 IonicContact OE2-CZ 3.53Å; E339-R449 IonicContact OE2-NE 2.68Å; E339-R449 PolarHBondContact OE2-NE 2.94Å; E339-R449 IonicContact OE2-NH2 3.03Å; E339-R449 PolarHBondContact OE2-NH2 3.42Å; E339-R449 VanDerWaalsContact OE2-NH2 3.1Å; R449-E455 IonicContact CZ-OE2 2.67Å; R449-E455 IonicContact NH1-OE1 2.77Å; R449-E455 IonicContact NH1-OE2 2.8Å; R449-E455 PolarHBondContact NH1-OE2 3.24Å; R449-E455 IonicContact NH2-OE2 3.53Å; R449-E455 PolarHBondContact NH2-OE2 3.09Å
450	I	96.8	Very high	82.4	Confident	7 Å²	7	60.8 Å²	60.8	4%	0.036	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	121.9	168.7	-61.6	158.2	0	0	0	106.9	I280 F282 R298 V338	I280-I450 HydrophobicContact CB-CD1 4.27Å; I280-I450 HydrophobicContact CB-CG2 4.19Å; I280-I450 HydrophobicContact CG2-CD1 3.78Å; I280-I450 WeakPolarHBondContact O-CG2 3.38Å; F282-I450 HydrophobicContact CD1-CD1 4.04Å; F282-I450 HydrophobicContact CD2-CD1 4Å; F282-I450 HydrophobicContact CE1-CD1 3.75Å; F282-I450 HydrophobicContact CE1-CG1 4.21Å; F282-I450 HydrophobicContact CE2-CD1 3.7Å; F282-I450 HydrophobicContact CE2-CG1 4.05Å; F282-I450 HydrophobicContact CG-CD1 4.14Å; F282-I450 HydrophobicContact CZ-CD1 3.56Å; F282-I450 HydrophobicContact CZ-CG1 3.7Å; R298-I450 HydrophobicContact CB-CB 4.33Å; R298-I450 PolarHBondContact O-N 2.81Å; V338-I450 HydrophobicContact CG1-CG1 4.22Å
451	V	94	Very high	79.8	Confident	6 Å²	6	64.7 Å²	64.7	4%	0.036	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-76.4	136.6	-175	175.9	0	0	0	0	109	E337 E339 R399 L453 E455	E337-V451 HydrophobicContact CB-CB 3.86Å; E337-V451 HydrophobicContact CB-CG1 4.38Å; E337-V451 HydrophobicContact CB-CG2 4.14Å; E337-V451 PolarHBondContact O-N 3Å; E339-V451 HydrophobicContact CG-CG2 3.82Å; R399-V451 HydrophobicContact CG-CG2 4.35Å; V451-L453 PolarHBondContact O-N 2.99Å; V451-E455 HydrophobicContact CG1-CB 4.42Å
452	D	88.4	Confident	77	Confident	67 Å²	67	68 Å²	68	36%	0.358	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-71.3	119.5	164.1	-165.1	-47.2	0	0	0	107.9	R298 G454 E455	R298-D452 IonicContact CZ-OD2 3.34Å; R298-D452 IonicContact NH1-OD2 3.03Å; R298-D452 PolarHBondContact NH1-OD2 3.19Å; D452-G454 PolarHBondContact O-N 3.06Å; D452-G454 PolarHBondContact OD1-N 2.95Å; D452-G454 VanDerWaalsContact OD1-N 3.12Å; D452-E455 HydrophobicContact CB-CG 4.15Å; D452-E455 VanDerWaalsContact O-CB 3.31Å; D452-E455 WeakPolarHBondContact O-CB 3.49Å; D452-E455 PolarHBondContact O-N 3.03Å
453	L	82.8	Confident	74	Confident	30 Å²	30	71.1 Å²	71.1	16%	0.157	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-6.8	-172.2	-65.8	173.3	0	0	0	113.3	L274 A277 Y335 E337 V451	L274-L453 HydrophobicContact CD2-CB 4.03Å; L274-L453 HydrophobicContact CD2-CD1 4.35Å; L274-L453 HydrophobicContact CD2-CD2 3.99Å; L274-L453 HydrophobicContact CD2-CG 4.35Å; A277-L453 HydrophobicContact CB-CD1 3.4Å; Y335-L453 HydrophobicContact CE1-CD2 4.34Å; E337-L453 HydrophobicContact CB-CD2 3.85Å; E337-L453 HydrophobicContact CG-CD2 3.79Å; V451-L453 PolarHBondContact O-N 2.99Å
454	G	67	Low	71.1	Confident	70 Å²	70	71 Å²	71	72%	0.722	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-14.5	164.6	0	0	0	0	0	115.1	D452	D452-G454 PolarHBondContact O-N 3.06Å; D452-G454 PolarHBondContact OD1-N 2.95Å; D452-G454 VanDerWaalsContact OD1-N 3.12Å
455	E	61.4	Low	68.2	Low	84 Å²	84	71.1 Å²	71.1	39%	0.393	43%	0.431	S	S	.	.	S	Bend	trans	-84	124.8	178.3	-67.2	176.4	179.1	0	0	111.6	R399 R449 V451 D452	R399-E455 PolarHBondContact NH1-O 2.91Å; R449-E455 IonicContact CZ-OE2 2.67Å; R449-E455 IonicContact NH1-OE1 2.77Å; R449-E455 IonicContact NH1-OE2 2.8Å; R449-E455 PolarHBondContact NH1-OE2 3.24Å; R449-E455 IonicContact NH2-OE2 3.53Å; R449-E455 PolarHBondContact NH2-OE2 3.09Å; V451-E455 HydrophobicContact CG1-CB 4.42Å; D452-E455 HydrophobicContact CB-CG 4.15Å; D452-E455 VanDerWaalsContact O-CB 3.31Å; D452-E455 WeakPolarHBondContact O-CB 3.49Å; D452-E455 PolarHBondContact O-N 3.03Å
456	E	61.5	Low	65.5	Low	126 Å²	126	73.4 Å²	73.4	59%	0.589	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-68.8	149.7	172.2	-66.7	-140.4	149	0	0	111.9	Y418	Y418-E456 WeakPolarHBondContact CE2-OE2 3.14Å; Y418-E456 PolarHBondContact OH-OE2 2.86Å
457	P	61.6	Low	62.6	Low	9 Å²	9	77.6 Å²	77.6	6%	0.058	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-63	150.1	174	-11.6	25.4	0	0	0	111.5	V416 Y418 K459	V416-P457 HydrophobicContact CG1-CG 4.02Å; Y418-P457 WeakPolarHBondContact CD2-O 3.44Å; P457-K459 PolarHBondContact O-N 3.12Å
458	E	58.3	Low	60.1	Low	128 Å²	128	81.1 Å²	81.1	60%	0.598	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-57.2	124.4	176.4	-77.9	177.9	179.3	0	0	110.4	R398	R398-E458 IonicContact CZ-OE1 3.96Å; R398-E458 IonicContact CZ-OE2 3.59Å; R398-E458 IonicContact NH1-OE1 2.97Å; R398-E458 PolarHBondContact NH1-OE1 3.46Å; R398-E458 IonicContact NH1-OE2 3.68Å; R398-E458 PolarHBondContact NH1-OE2 3.38Å; R398-E458 IonicContact NH2-OE1 3.88Å
459	K	43.2	Very low	58.2	Low	158 Å²	158	90.6 Å²	90.6	69%	0.687	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-65.9	131.4	171.9	-165.5	173.1	-173.7	171.6	0	108.2	Y418 P457 A461	Y418-K459 HydrophobicContact CD2-CB 4.36Å; P457-K459 PolarHBondContact O-N 3.12Å; K459-A461 PolarHBondContact O-N 3.36Å
460	P	44.6	Very low	56.2	Low	100 Å²	100	93 Å²	93	65%	0.649	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-55.1	131.9	177.1	19.9	-30	0	0	0	109.2	G462	P460-G462 PolarHBondContact O-N 3.01Å
461	A	43.4	Very low	54.1	Low	103 Å²	103	97.5 Å²	97.5	85%	0.851	62%	0.616	S	S	*	*			trans	-56	109.2	176.8	0	0	0	0	0	108.1	K459 S463	K459-A461 PolarHBondContact O-N 3.36Å; A461-S463 PolarHBondContact O-N 3.39Å
462	G	39.5	Very low	51.9	Low	69 Å²	69	102.6 Å²	102.6	71%	0.711	65%	0.649	S	S	*	*			trans	-56	128.5	175.4	0	0	0	0	0	108	P460 S464	P460-G462 PolarHBondContact O-N 3.01Å; G462-S464 VanDerWaalsContact C-N 3.3Å; G462-S464 PolarHBondContact O-N 3.03Å
463	S	33.4	Very low	49.7	Very low	109 Å²	109	104.6 Å²	104.6	76%	0.762	67%	0.666	S	S	*	*			trans	-55.7	96.4	172.8	54.9	0	0	0	0	108.9	A461 V465	A461-S463 PolarHBondContact O-N 3.39Å; S463-V465 PolarHBondContact O-N 3.08Å
464	S	34.1	Very low	47.7	Very low	108 Å²	108	109.3 Å²	109.3	76%	0.755	70%	0.698	S	S	*	*			trans	-69	85.8	160.8	54.3	0	0	0	0	106.3	G462 E466	G462-S464 VanDerWaalsContact C-N 3.3Å; G462-S464 PolarHBondContact O-N 3.03Å; S464-E466 PolarHBondContact O-N 3.12Å
465	V	36.5	Very low	46.4	Very low	126 Å²	126	111.9 Å²	111.9	76%	0.764	70%	0.696	S	S	*	*			trans	-67.9	87.9	155.8	-178.9	0	0	0	0	104.7	S463 A467	S463-V465 PolarHBondContact O-N 3.08Å; V465-A467 VanDerWaalsContact C-N 3.34Å; V465-A467 PolarHBondContact O-N 3.35Å
466	E	38.2	Very low	45.3	Very low	179 Å²	179	113.9 Å²	113.9	84%	0.836	72%	0.718	S	S	*	*			trans	-58.6	105.8	156.9	-94	-179.3	149.4	0	0	106.3	S464 A468	S464-E466 PolarHBondContact O-N 3.12Å; E466-A468 PolarHBondContact O-N 2.79Å; E466-A468 VanDerWaalsContact O-N 3.08Å
467	A	37.1	Very low	44.1	Very low	92 Å²	92	113 Å²	113	76%	0.76	73%	0.728	S	S	*	*			trans	-60.9	106.3	157.7	0	0	0	0	0	106.7	V465	V465-A467 VanDerWaalsContact C-N 3.34Å; V465-A467 PolarHBondContact O-N 3.35Å
468	A	44.2	Very low	42.6	Very low	87 Å²	87	121.7 Å²	121.7	72%	0.719	78%	0.783	S	S	*	*			trans	-60.9	146.6	163.2	0	0	0	0	0	108.9	E466	E466-A468 PolarHBondContact O-N 2.79Å; E466-A468 VanDerWaalsContact O-N 3.08Å
469	P	58.7	Low	41.2	Very low	201 Å²	201	121.1 Å²	121.1	100%	1.305	80%	0.8	S	S	*	*			trans	-62.3	0	-169.3	25.7	-34.9	0	0	0	114.8

Retrieved 469 of 469 residues in 749.8 ms (Link to these results)

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