G4VN93_SCHMA Loading...

ATP-dependent RNA helicase

RNA helicase.

AlphaFold DB , UniProt , Accession G4VN93, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 607 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.7	Very low	35.8	Very low	235 Å²	235	138.4 Å²	138.4	100%	1.158	80%	0.804	S	S	*	*				0	77.4	0	-70.9	-148.3	-114.2	0	0	108.1
2	D	36.7	Very low	35.6	Very low	152 Å²	152	137.2 Å²	137.2	81%	0.813	79%	0.791	S	S	*	*			trans	33	114.5	136.8	-47.4	-37.9	0	0	0	121.4
3	I	38.9	Very low	35.5	Very low	159 Å²	159	139.5 Å²	139.5	82%	0.815	80%	0.799	S	S	*	*			trans	-19.9	165	141	-8.4	173.9	0	0	0	115
4	P	39.1	Very low	35.6	Very low	119 Å²	119	141.6 Å²	141.6	77%	0.773	80%	0.795	S	S	*	*			cis	-151.3	177	26.5	36.9	-10.8	0	0	0	120.3
5	A	33.9	Very low	35.8	Very low	88 Å²	88	143.1 Å²	143.1	73%	0.727	80%	0.8	S	S	*	*			trans	-80.5	147.1	164	0	0	0	0	0	111.5
6	D	38.9	Very low	36.1	Very low	149 Å²	149	140.8 Å²	140.8	80%	0.797	79%	0.791	S	S	*	*			trans	-165.6	156	136.9	-121.2	-20.2	0	0	0	114
7	D	36.8	Very low	36.2	Very low	125 Å²	125	138.1 Å²	138.1	67%	0.668	77%	0.774	S	S	*	*			trans	82.2	96.1	152.8	-72.7	-29.9	0	0	0	123.7
8	N	31.9	Very low	36.4	Very low	140 Å²	140	134.3 Å²	134.3	75%	0.749	76%	0.758	S	S	*	*				19.2	127.4	119.9	-65.6	-45.8	0	0	0	119.3
9	L	33.3	Very low	36.4	Very low	167 Å²	167	129.9 Å²	129.9	87%	0.874	74%	0.737	S	S	*	*				179	154.5	118.1	-112.2	130.7	0	0	0	113.5
10	V	35.2	Very low	36.9	Very low	111 Å²	111	126.8 Å²	126.8	67%	0.673	72%	0.72	S	S	*	*			trans	89.5	94	160.1	-152.4	0	0	0	0	117.8	L12	V10-L12 HydrophobicContact CG1-CD2 4.49Å; V10-L12 HydrophobicContact CG1-CG 4.15Å
11	G	29.7	Very low	37.4	Very low	77 Å²	77	124 Å²	124	79%	0.794	71%	0.706	S	S	*	*			trans	-67.5	129.2	152.5	0	0	0	0	0	110.8
12	L	33.3	Very low	37.5	Very low	124 Å²	124	118.7 Å²	118.7	65%	0.649	68%	0.676	S	S	*	*			trans	-119.6	106.2	166.3	-77	169.3	0	0	0	107.8	V10 F14	V10-L12 HydrophobicContact CG1-CD2 4.49Å; V10-L12 HydrophobicContact CG1-CG 4.15Å; L12-F14 HydrophobicContact CB-CD2 4.26Å; L12-F14 HydrophobicContact CB-CE2 3.94Å; L12-F14 HydrophobicContact CD1-CE2 4.47Å; L12-F14 HydrophobicContact CD1-CZ 4.5Å; L12-F14 PolarHBondContact O-N 2.97Å
13	D	33.9	Very low	37.7	Very low	168 Å²	168	118.9 Å²	118.9	90%	0.898	67%	0.67	S	S	*	*			trans	-59.9	102	160	-79.4	-37.5	0	0	0	108.2	D15	D13-D15 PolarHBondContact O-N 3.2Å
14	F	37.6	Very low	38.2	Very low	169 Å²	169	118.1 Å²	118.1	74%	0.741	66%	0.661	S	S	*	*			trans	-80.5	94.7	165.9	-79.2	-83.9	0	0	0	108.2	L12 V16	L12-F14 HydrophobicContact CB-CD2 4.26Å; L12-F14 HydrophobicContact CB-CE2 3.94Å; L12-F14 HydrophobicContact CD1-CE2 4.47Å; L12-F14 HydrophobicContact CD1-CZ 4.5Å; L12-F14 PolarHBondContact O-N 2.97Å; F14-V16 PolarHBondContact O-N 3.17Å
15	D	38	Very low	39	Very low	164 Å²	164	117 Å²	117	88%	0.877	65%	0.645	S	S	*	*			trans	-56.8	93.1	156	-101.2	-30.3	0	0	0	107.8	D13 D17	D13-D15 PolarHBondContact O-N 3.2Å; D15-D17 PolarHBondContact O-N 2.77Å
16	V	41.2	Very low	39.8	Very low	106 Å²	106	120.3 Å²	120.3	64%	0.642	64%	0.643	S	S	*	*			trans	-64.6	103	171.9	178.9	0	0	0	0	106.4	F14 S18 V21	F14-V16 PolarHBondContact O-N 3.17Å; V16-S18 PolarHBondContact O-N 2.9Å; V16-V21 HydrophobicContact CG1-CG2 3.47Å; V16-V21 VanDerWaalsContact CG1-CG2 3.47Å
17	D	36.9	Very low	40.6	Very low	94 Å²	94	117.5 Å²	117.5	50%	0.503	63%	0.634	S	S	.	*			trans	-43.2	106.2	-179.4	-173.3	-7.6	0	0	0	110.3	D15 S19 V20 V21	D15-D17 PolarHBondContact O-N 2.77Å; D17-S19 PolarHBondContact O-N 3.49Å; D17-S19 VanDerWaalsContact OD1-CB 3.27Å; D17-S19 WeakPolarHBondContact OD1-CB 3.27Å; D17-S19 PolarHBondContact OD1-N 2.9Å; D17-S19 PolarHBondContact OD1-OG 2.82Å; D17-S19 PolarHBondContact OD2-OG 3.05Å; D17-V20 HydrophobicContact CB-CG2 4.17Å; D17-V20 PolarHBondContact O-N 2.99Å; D17-V21 PolarHBondContact O-N 2.98Å
18	S	39.8	Very low	41.7	Very low	70 Å²	70	118.4 Å²	118.4	49%	0.49	63%	0.632	S	S	.	*	H	α-helix	trans	-55.8	-22.4	-174.6	75.5	0	0	0	0	111.4	V16 K22	V16-S18 PolarHBondContact O-N 2.9Å; S18-K22 VanDerWaalsContact O-CB 3.22Å; S18-K22 WeakPolarHBondContact O-CB 3.08Å; S18-K22 VanDerWaalsContact O-CD 3.31Å; S18-K22 WeakPolarHBondContact O-CD 3.37Å; S18-K22 WeakPolarHBondContact O-CG 3.22Å; S18-K22 PolarHBondContact O-N 2.89Å
19	S	36.8	Very low	43.3	Very low	51 Å²	51	115.4 Å²	115.4	36%	0.357	62%	0.622	S	S	.	*	H	α-helix	trans	-68	-38.5	176.4	80.9	0	0	0	0	113	D17 K22 K23	D17-S19 PolarHBondContact O-N 3.49Å; D17-S19 VanDerWaalsContact OD1-CB 3.27Å; D17-S19 WeakPolarHBondContact OD1-CB 3.27Å; D17-S19 PolarHBondContact OD1-N 2.9Å; D17-S19 PolarHBondContact OD1-OG 2.82Å; D17-S19 PolarHBondContact OD2-OG 3.05Å; S19-K22 PolarHBondContact O-N 3.44Å; S19-K23 PolarHBondContact O-N 2.92Å
20	V	46.3	Very low	45.4	Very low	68 Å²	68	110.5 Å²	110.5	41%	0.412	60%	0.601	S	S	.	*	H	α-helix	trans	-74.5	-40.7	-179.3	179.6	0	0	0	0	110.7	D17 K23 K24	D17-V20 HydrophobicContact CB-CG2 4.17Å; D17-V20 PolarHBondContact O-N 2.99Å; V20-K23 PolarHBondContact O-N 3.37Å; V20-K24 PolarHBondContact O-N 2.87Å
21	V	48.2	Very low	47.9	Very low	68 Å²	68	111 Å²	111	41%	0.412	60%	0.595	S	S	.	*	H	α-helix	trans	-62.2	-46.8	172.5	-179.8	0	0	0	0	109.9	V16 D17 K23 K24 E25	V16-V21 HydrophobicContact CG1-CG2 3.47Å; V16-V21 VanDerWaalsContact CG1-CG2 3.47Å; D17-V21 PolarHBondContact O-N 2.98Å; V21-K23 VanDerWaalsContact C-N 3.33Å; V21-K23 PolarHBondContact O-N 2.89Å; V21-K24 PolarHBondContact O-N 2.88Å; V21-E25 HydrophobicContact CG1-CG 4.43Å; V21-E25 WeakPolarHBondContact O-CB 3.4Å; V21-E25 WeakPolarHBondContact O-CG 3.5Å; V21-E25 PolarHBondContact O-N 3.27Å
22	K	42.2	Very low	50.7	Low	124 Å²	124	107.4 Å²	107.4	54%	0.539	56%	0.558	S	S	.	*	H	α-helix	trans	-59.3	-39.3	174.9	-76.8	168.6	-175.4	166.9	0	112.4	S18 S19 K26	S18-K22 VanDerWaalsContact O-CB 3.22Å; S18-K22 WeakPolarHBondContact O-CB 3.08Å; S18-K22 VanDerWaalsContact O-CD 3.31Å; S18-K22 WeakPolarHBondContact O-CD 3.37Å; S18-K22 WeakPolarHBondContact O-CG 3.22Å; S18-K22 PolarHBondContact O-N 2.89Å; S19-K22 PolarHBondContact O-N 3.44Å; K22-K26 WeakPolarHBondContact O-CB 3.31Å; K22-K26 WeakPolarHBondContact O-CG 3.34Å; K22-K26 PolarHBondContact O-N 3.29Å
23	K	39.4	Very low	53.4	Low	156 Å²	156	108.2 Å²	108.2	68%	0.678	56%	0.556	S	S	*	*	H	α-helix	trans	-64.5	-47.8	175	-86.1	-179	177.9	173.7	0	112.1	S19 V20 V21 E25 K26 C27	S19-K23 PolarHBondContact O-N 2.92Å; V20-K23 PolarHBondContact O-N 3.37Å; V21-K23 VanDerWaalsContact C-N 3.33Å; V21-K23 PolarHBondContact O-N 2.89Å; K23-E25 VanDerWaalsContact C-N 3.33Å; K23-E25 PolarHBondContact O-N 3.03Å; K23-K26 PolarHBondContact O-N 3.32Å; K23-C27 PolarHBondContact O-N 3.46Å
24	K	50.7	Low	56.1	Low	143 Å²	143	106.2 Å²	106.2	62%	0.622	54%	0.541	S	S	*	.	H	α-helix	trans	-62.3	-39.7	176.6	-75.9	-177.7	179.3	174.7	0	111.7	V20 V21 K28	V20-K24 PolarHBondContact O-N 2.87Å; V21-K24 PolarHBondContact O-N 2.88Å; K24-K28 WeakPolarHBondContact O-CG 3.46Å; K24-K28 PolarHBondContact O-N 2.93Å; K24-K28 VanDerWaalsContact O-N 3.09Å
25	E	54.1	Low	58.7	Low	95 Å²	95	100 Å²	100	44%	0.444	51%	0.513	S	S	.	.	H	α-helix	trans	-66.6	-42.7	175.1	-74.1	-155.3	135.9	0	0	113	V21 K23 C27 K28 S29 K51	V21-E25 HydrophobicContact CG1-CG 4.43Å; V21-E25 WeakPolarHBondContact O-CB 3.4Å; V21-E25 WeakPolarHBondContact O-CG 3.5Å; V21-E25 PolarHBondContact O-N 3.27Å; K23-E25 VanDerWaalsContact C-N 3.33Å; K23-E25 PolarHBondContact O-N 3.03Å; E25-C27 VanDerWaalsContact C-N 3.34Å; E25-C27 PolarHBondContact O-N 3.01Å; E25-K28 PolarHBondContact O-N 3.33Å; E25-S29 WeakPolarHBondContact O-CB 3.42Å; E25-S29 PolarHBondContact O-N 2.9Å; E25-K51 IonicContact OE1-NZ 2.72Å; E25-K51 PolarHBondContact OE1-NZ 3.48Å; E25-K51 IonicContact OE2-NZ 3Å; E25-K51 PolarHBondContact OE2-NZ 3.33Å
26	K	52.8	Low	61.3	Low	158 Å²	158	94.5 Å²	94.5	69%	0.687	48%	0.48	S	S	*	.	H	α-helix	trans	-59.3	-43.8	174.9	-82.4	-178.9	177.9	-177.5	0	111.6	K22 K23 S29 S30	K22-K26 WeakPolarHBondContact O-CB 3.31Å; K22-K26 WeakPolarHBondContact O-CG 3.34Å; K22-K26 PolarHBondContact O-N 3.29Å; K23-K26 PolarHBondContact O-N 3.32Å; K26-S29 WeakPolarHBondContact O-CB 3.33Å; K26-S29 PolarHBondContact O-N 3Å; K26-S30 PolarHBondContact O-N 2.72Å
27	C	54	Low	63.7	Low	89 Å²	89	95.4 Å²	95.4	60%	0.601	48%	0.48	S	S	*	.	H	α-helix	trans	-63.9	-46	177.8	-174.3	0	0	0	0	112.1	K23 E25 S29 S30 K31	K23-C27 PolarHBondContact O-N 3.46Å; E25-C27 VanDerWaalsContact C-N 3.34Å; E25-C27 PolarHBondContact O-N 3.01Å; C27-S29 VanDerWaalsContact C-N 3.31Å; C27-S29 PolarHBondContact O-N 3.21Å; C27-S30 WeakPolarHBondContact O-CB 3.48Å; C27-S30 PolarHBondContact O-N 3.4Å; C27-K31 PolarHBondContact O-N 3.46Å
28	K	61.2	Low	66.2	Low	145 Å²	145	95 Å²	95	63%	0.63	49%	0.485	S	S	*	.	H	α-helix	trans	-59.9	-41.1	174.6	-74	-179.9	180	-179.2	0	112.2	K24 E25 K31 A32	K24-K28 WeakPolarHBondContact O-CG 3.46Å; K24-K28 PolarHBondContact O-N 2.93Å; K24-K28 VanDerWaalsContact O-N 3.09Å; E25-K28 PolarHBondContact O-N 3.33Å; K28-K31 PolarHBondContact O-N 3.47Å; K28-A32 WeakPolarHBondContact O-CB 3.33Å; K28-A32 PolarHBondContact O-N 2.98Å
29	S	65	Low	68.4	Low	77 Å²	77	94.9 Å²	94.9	54%	0.538	48%	0.477	S	S	.	.	H	α-helix	trans	-63.9	-40.5	176.7	-171.6	0	0	0	0	112.1	E25 K26 C27 A32 K33	E25-S29 WeakPolarHBondContact O-CB 3.42Å; E25-S29 PolarHBondContact O-N 2.9Å; K26-S29 WeakPolarHBondContact O-CB 3.33Å; K26-S29 PolarHBondContact O-N 3Å; C27-S29 VanDerWaalsContact C-N 3.31Å; C27-S29 PolarHBondContact O-N 3.21Å; S29-A32 PolarHBondContact O-N 3.49Å; S29-K33 WeakPolarHBondContact O-CB 3.5Å; S29-K33 PolarHBondContact O-N 3.37Å
30	S	77.1	Confident	70.9	Confident	63 Å²	63	97 Å²	97	44%	0.441	48%	0.484	S	S	.	.	H	α-helix	trans	-63.3	-48.9	175.8	-170.9	0	0	0	0	111.9	K26 C27 A32 K33 Q34	K26-S30 PolarHBondContact O-N 2.72Å; C27-S30 WeakPolarHBondContact O-CB 3.48Å; C27-S30 PolarHBondContact O-N 3.4Å; S30-A32 VanDerWaalsContact C-N 3.34Å; S30-A32 PolarHBondContact O-N 2.98Å; S30-K33 PolarHBondContact O-N 3.09Å; S30-K33 VanDerWaalsContact O-N 3.17Å; S30-Q34 WeakPolarHBondContact O-CG 3.47Å; S30-Q34 PolarHBondContact O-N 3.41Å
31	K	88.2	Confident	73.1	Confident	122 Å²	122	94.2 Å²	94.2	53%	0.53	47%	0.467	S	S	.	.	H	α-helix	trans	-61.1	-42	177.4	-169.3	176.3	-179.4	171.1	0	112.1	C27 K28 K33 Q34 Y35 Y57	C27-K31 PolarHBondContact O-N 3.46Å; K28-K31 PolarHBondContact O-N 3.47Å; K31-K33 PolarHBondContact O-N 2.95Å; K31-Q34 PolarHBondContact O-N 3.34Å; K31-Y35 WeakPolarHBondContact O-CB 3.44Å; K31-Y35 PolarHBondContact O-N 3.46Å; K31-Y57 HydrophobicContact CD-CE2 4.18Å
32	A	88.8	Confident	75.2	Confident	2 Å²	2	98.3 Å²	98.3	2%	0.017	48%	0.479	C	S	.	.	H	α-helix	trans	-62.7	-41.5	175.8	0	0	0	0	0	112.2	K28 S29 S30 R36 P54 P55 Y57	K28-A32 WeakPolarHBondContact O-CB 3.33Å; K28-A32 PolarHBondContact O-N 2.98Å; S29-A32 PolarHBondContact O-N 3.49Å; S30-A32 VanDerWaalsContact C-N 3.34Å; S30-A32 PolarHBondContact O-N 2.98Å; A32-R36 WeakPolarHBondContact O-CB 3.47Å; A32-R36 WeakPolarHBondContact O-CG 3.21Å; A32-R36 PolarHBondContact O-N 2.96Å; A32-P54 HydrophobicContact CB-CB 4.06Å; A32-P55 HydrophobicContact CB-CG 4.44Å; A32-Y57 PolarHBondContact N-OH 3.17Å
33	K	89.5	Confident	77.7	Confident	140 Å²	140	93.8 Å²	93.8	61%	0.609	46%	0.461	S	S	*	.	H	α-helix	trans	-63.5	-45.2	176.9	-172.2	179.4	179.2	-176.6	0	111.3	S29 S30 K31 R36 L37	S29-K33 WeakPolarHBondContact O-CB 3.5Å; S29-K33 PolarHBondContact O-N 3.37Å; S30-K33 PolarHBondContact O-N 3.09Å; S30-K33 VanDerWaalsContact O-N 3.17Å; K31-K33 PolarHBondContact O-N 2.95Å; K33-R36 PolarHBondContact O-N 3.07Å; K33-L37 HydrophobicContact CG-CD1 4.34Å; K33-L37 WeakPolarHBondContact O-CG 3.42Å; K33-L37 PolarHBondContact O-N 3.42Å
34	Q	90.3	Very high	80.2	Confident	126 Å²	126	88.8 Å²	88.8	59%	0.589	45%	0.446	S	S	*	.	H	α-helix	trans	-61.5	-47.5	176.7	-72.6	175.2	-13.4	0	0	111.9	S30 K31 R36 L37 S38	S30-Q34 WeakPolarHBondContact O-CG 3.47Å; S30-Q34 PolarHBondContact O-N 3.41Å; K31-Q34 PolarHBondContact O-N 3.34Å; Q34-R36 VanDerWaalsContact C-N 3.31Å; Q34-R36 PolarHBondContact O-N 2.93Å; Q34-L37 PolarHBondContact O-N 3.19Å; Q34-S38 PolarHBondContact O-N 3.35Å
35	Y	91.7	Very high	82.2	Confident	38 Å²	38	83.4 Å²	83.4	15%	0.149	43%	0.428	C	S	.	.	H	α-helix	trans	-61.7	-39.9	178.5	-176.1	-90	0	0	0	112.6	K31 L37 S38 H39 I41 P55 Y57	K31-Y35 WeakPolarHBondContact O-CB 3.44Å; K31-Y35 PolarHBondContact O-N 3.46Å; Y35-L37 VanDerWaalsContact C-N 3.35Å; Y35-S38 PolarHBondContact O-N 2.47Å; Y35-S38 PolarHBondContact O-OG 2.65Å; Y35-S38 VanDerWaalsContact O-OG 3.06Å; Y35-H39 AromaticContact CD1-ND1 3.86Å; Y35-H39 AromaticContact CD2-CE1 3.46Å; Y35-H39 VanDerWaalsContact CD2-CE1 3.46Å; Y35-H39 WeakPolarHBondContact CD2-CE1 3.32Å; Y35-H39 AromaticContact CD2-ND1 3.57Å; Y35-H39 AromaticContact CE1-ND1 3.76Å; Y35-H39 AromaticContact CE2-CE1 3.12Å; Y35-H39 WeakPolarHBondContact CE2-CE1 3.35Å; Y35-H39 AromaticContact CE2-ND1 3.48Å; Y35-H39 WeakPolarHBondContact CE2-ND1 3.24Å; Y35-H39 AromaticContact CE2-NE2 3.83Å; Y35-H39 AromaticContact CG-ND1 3.77Å; Y35-H39 AromaticContact CZ-CE1 3.54Å; Y35-H39 AromaticContact CZ-ND1 3.57Å; Y35-H39 AromaticContact CZ-NE2 3.98Å; Y35-H39 PolarHBondContact O-N 2.89Å; Y35-H39 VanDerWaalsContact O-N 3.17Å; Y35-H39 PolarHBondContact O-ND1 3.11Å; Y35-I41 HydrophobicContact CD1-CD1 4.08Å; Y35-I41 HydrophobicContact CE1-CD1 3.82Å; Y35-P55 HydrophobicContact CD1-CB 4.04Å; Y35-P55 HydrophobicContact CD1-CG 3.7Å; Y35-P55 HydrophobicContact CE1-CB 4.16Å; Y35-P55 HydrophobicContact CE1-CG 4.32Å; Y35-P55 HydrophobicContact CG-CG 4.32Å; Y35-Y57 HydrophobicContact CD1-CE1 4.16Å; Y35-Y57 AromaticContact CD2-CD1 3.56Å; Y35-Y57 HydrophobicContact CD2-CD1 3.56Å; Y35-Y57 AromaticContact CD2-CE1 3.48Å; Y35-Y57 HydrophobicContact CD2-CE1 3.48Å; Y35-Y57 VanDerWaalsContact CD2-CE1 3.48Å; Y35-Y57 AromaticContact CE2-CD1 3.71Å; Y35-Y57 HydrophobicContact CE2-CD1 3.71Å; Y35-Y57 HydrophobicContact CE2-CE1 4.08Å; Y35-Y57 HydrophobicContact CG-CD1 4.04Å; Y35-Y57 AromaticContact CG-CE1 3.52Å; Y35-Y57 HydrophobicContact CG-CE1 3.52Å
36	R	93.6	Very high	83.6	Confident	50 Å²	50	79.7 Å²	79.7	19%	0.189	41%	0.411	C	S	.	.	H	α-helix	trans	-63.4	-41.7	176.6	-75	170.7	-175	155.4	1.9	111.7	A32 K33 Q34 D40 I41 P53 Q88	A32-R36 WeakPolarHBondContact O-CB 3.47Å; A32-R36 WeakPolarHBondContact O-CG 3.21Å; A32-R36 PolarHBondContact O-N 2.96Å; K33-R36 PolarHBondContact O-N 3.07Å; Q34-R36 VanDerWaalsContact C-N 3.31Å; Q34-R36 PolarHBondContact O-N 2.93Å; R36-D40 PolarHBondContact O-N 2.83Å; R36-I41 HydrophobicContact CB-CB 4.05Å; R36-I41 HydrophobicContact CG-CB 4.03Å; R36-I41 HydrophobicContact CG-CG2 4.12Å; R36-I41 PolarHBondContact O-N 3.07Å; R36-P53 PolarHBondContact NH2-O 3.31Å; R36-Q88 VanDerWaalsContact NH2-OE1 3.07Å
37	L	90.6	Very high	84.8	Confident	125 Å²	125	76.4 Å²	76.4	65%	0.654	40%	0.401	S	S	*	.	H	α-helix	trans	-64.7	-44.1	176.1	-71.2	167.4	0	0	0	111.5	K33 Q34 Y35 H39 D40	K33-L37 HydrophobicContact CG-CD1 4.34Å; K33-L37 WeakPolarHBondContact O-CG 3.42Å; K33-L37 PolarHBondContact O-N 3.42Å; Q34-L37 PolarHBondContact O-N 3.19Å; Y35-L37 VanDerWaalsContact C-N 3.35Å; L37-H39 VanDerWaalsContact C-N 3.26Å; L37-H39 PolarHBondContact O-N 2.89Å; L37-D40 PolarHBondContact O-N 3.34Å
38	S	89.5	Confident	86	Confident	85 Å²	85	77.4 Å²	77.4	59%	0.594	39%	0.392	S	S	*	.	H	α-helix	trans	-70.9	-19	-176.9	72	0	0	0	0	114.3	Q34 Y35	Q34-S38 PolarHBondContact O-N 3.35Å; Y35-S38 PolarHBondContact O-N 2.47Å; Y35-S38 PolarHBondContact O-OG 2.65Å; Y35-S38 VanDerWaalsContact O-OG 3.06Å
39	H	87.6	Confident	86.6	Confident	68 Å²	68	80.4 Å²	80.4	32%	0.315	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	18.1	-179.1	-62.8	87.5	0	0	0	113.2	Y35 L37 I41 P84	Y35-H39 AromaticContact CD1-ND1 3.86Å; Y35-H39 AromaticContact CD2-CE1 3.46Å; Y35-H39 VanDerWaalsContact CD2-CE1 3.46Å; Y35-H39 WeakPolarHBondContact CD2-CE1 3.32Å; Y35-H39 AromaticContact CD2-ND1 3.57Å; Y35-H39 AromaticContact CE1-ND1 3.76Å; Y35-H39 AromaticContact CE2-CE1 3.12Å; Y35-H39 WeakPolarHBondContact CE2-CE1 3.35Å; Y35-H39 AromaticContact CE2-ND1 3.48Å; Y35-H39 WeakPolarHBondContact CE2-ND1 3.24Å; Y35-H39 AromaticContact CE2-NE2 3.83Å; Y35-H39 AromaticContact CG-ND1 3.77Å; Y35-H39 AromaticContact CZ-CE1 3.54Å; Y35-H39 AromaticContact CZ-ND1 3.57Å; Y35-H39 AromaticContact CZ-NE2 3.98Å; Y35-H39 PolarHBondContact O-N 2.89Å; Y35-H39 VanDerWaalsContact O-N 3.17Å; Y35-H39 PolarHBondContact O-ND1 3.11Å; L37-H39 VanDerWaalsContact C-N 3.26Å; L37-H39 PolarHBondContact O-N 2.89Å; H39-I41 HydrophobicContact CB-CD1 4.01Å; H39-I41 HydrophobicContact CB-CG1 3.91Å; H39-I41 PolarHBondContact O-N 3.4Å; H39-I41 VanDerWaalsContact O-N 3.16Å; H39-P84 HydrophobicContact CB-CB 4.05Å; H39-P84 HydrophobicContact CB-CG 3.99Å
40	D	89.1	Confident	87.3	Confident	95 Å²	95	79 Å²	79	51%	0.508	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	38.9	-178.8	-68	-41.6	0	0	0	114	R36 L37 G350	R36-D40 PolarHBondContact O-N 2.83Å; L37-D40 PolarHBondContact O-N 3.34Å; D40-G350 PolarHBondContact O-N 3.4Å
41	I	92.1	Very high	87.9	Confident	10 Å²	10	82.8 Å²	82.8	5%	0.051	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	114.6	178.9	-53.5	178.1	0	0	0	109.1	Y35 R36 H39 P84 Q88 L347 R348 V349	Y35-I41 HydrophobicContact CD1-CD1 4.08Å; Y35-I41 HydrophobicContact CE1-CD1 3.82Å; R36-I41 HydrophobicContact CB-CB 4.05Å; R36-I41 HydrophobicContact CG-CB 4.03Å; R36-I41 HydrophobicContact CG-CG2 4.12Å; R36-I41 PolarHBondContact O-N 3.07Å; H39-I41 HydrophobicContact CB-CD1 4.01Å; H39-I41 HydrophobicContact CB-CG1 3.91Å; H39-I41 PolarHBondContact O-N 3.4Å; H39-I41 VanDerWaalsContact O-N 3.16Å; I41-P84 HydrophobicContact CD1-CB 4Å; I41-P84 HydrophobicContact CG1-CB 4.16Å; I41-Q88 HydrophobicContact CG2-CB 4.31Å; I41-Q88 HydrophobicContact CG2-CG 4.15Å; I41-L347 HydrophobicContact CG2-CD1 3.57Å; I41-R348 CarbonylContact C-O 3.41Å; I41-R348 WeakPolarHBondContact CA-O 3.41Å; I41-V349 HydrophobicContact CG1-CG2 4.39Å
42	K	92.9	Very high	88.1	Confident	153 Å²	153	78.7 Å²	78.7	67%	0.665	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	119.8	170	-62.4	-177.7	-178.6	-178	0	108.7	R348	K42-R348 HydrophobicContact CB-CB 4.35Å; K42-R348 PolarHBondContact N-O 3.5Å; K42-R348 PolarHBondContact O-N 3.04Å
43	V	93.3	Very high	88.2	Confident	29 Å²	29	78.8 Å²	78.8	18%	0.176	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	134.4	-179.6	71.2	0	0	0	0	110.2	I52 Q88 I92 I345 Q346 L347	V43-I52 HydrophobicContact CG1-CD1 4.02Å; V43-I52 HydrophobicContact CG1-CG2 4.07Å; V43-I52 HydrophobicContact CG2-CD1 4.1Å; V43-I52 HydrophobicContact CG2-CG2 3.81Å; V43-Q88 HydrophobicContact CG2-CG 4.34Å; V43-I92 HydrophobicContact CG2-CD1 4.23Å; V43-I345 HydrophobicContact CG2-CG2 3.73Å; V43-Q346 CarbonylContact C-O 3.56Å; V43-Q346 VanDerWaalsContact CA-O 3.3Å; V43-Q346 WeakPolarHBondContact CA-O 3.18Å; V43-L347 HydrophobicContact CB-CD1 4.16Å; V43-L347 HydrophobicContact CG2-CB 4.48Å; V43-L347 HydrophobicContact CG2-CD1 4.17Å
44	S	93	Very high	88.4	Confident	51 Å²	51	74 Å²	74	36%	0.357	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	137.8	-179.1	58	0	0	0	0	110.8	Q346	S44-Q346 PolarHBondContact N-O 3.02Å; S44-Q346 PolarHBondContact O-N 3.03Å
45	A	91.3	Very high	88.5	Confident	30 Å²	30	68.2 Å²	68.2	25%	0.248	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	131.2	169.5	0	0	0	0	0	109.6	R48 I52 I345	A45-R48 WeakPolarHBondContact CB-O 3.3Å; A45-I52 HydrophobicContact CB-CD1 4.42Å; A45-I52 HydrophobicContact CB-CG1 4.39Å; A45-I345 HydrophobicContact CB-CD1 3.54Å
46	I	84.5	Confident	88.6	Confident	17 Å²	17	66.6 Å²	66.6	9%	0.087	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	141.4	178.7	-60.2	170.3	0	0	0	107.6	R48 R328 L344 Q346	I46-R48 PolarHBondContact O-N 3.45Å; I46-R48 VanDerWaalsContact O-N 3.07Å; I46-R328 HydrophobicContact CG2-CG 3.91Å; I46-L344 HydrophobicContact CB-CB 4.38Å; I46-L344 WeakPolarHBondContact CB-O 3.23Å; I46-L344 HydrophobicContact CD1-CD2 4.42Å; I46-L344 PolarHBondContact N-O 2.87Å; I46-L344 PolarHBondContact O-N 3.21Å; I46-Q346 HydrophobicContact CD1-CB 3.82Å
47	N	77.8	Confident	88.6	Confident	89 Å²	89	68.1 Å²	68.1	48%	0.476	35%	0.348	S	S	.	.	S	Bend	trans	71.8	-27.9	-178.2	-51.7	-31.4	0	0	0	115.7	Y342	N47-Y342 WeakPolarHBondContact CB-O 3.44Å; N47-Y342 VanDerWaalsContact ND2-CD1 3.26Å; N47-Y342 WeakPolarHBondContact ND2-CD1 3.45Å
48	R	78.3	Confident	88.7	Confident	111 Å²	111	64.4 Å²	64.4	42%	0.419	33%	0.333	S	S	.	.	S	Bend	trans	-129.3	140.4	173.5	-74.6	176.6	156.2	-168.3	-16	110.9	A45 I46 S50 S340 E341 E343	A45-R48 WeakPolarHBondContact CB-O 3.3Å; I46-R48 PolarHBondContact O-N 3.45Å; I46-R48 VanDerWaalsContact O-N 3.07Å; R48-S50 PolarHBondContact O-N 3.06Å; R48-S340 PolarHBondContact NE-O 3.3Å; R48-S340 PolarHBondContact NH2-O 3.46Å; R48-E341 VanDerWaalsContact CZ-O 3.25Å; R48-E341 PolarHBondContact NE-O 3.28Å; R48-E341 PolarHBondContact NH1-O 3.28Å; R48-E341 VanDerWaalsContact NH2-CA 3.34Å; R48-E343 HydrophobicContact CB-CB 4.27Å; R48-E343 HydrophobicContact CB-CG 4.09Å
49	Q	73.8	Confident	88.7	Confident	207 Å²	207	60.4 Å²	60.4	97%	0.967	30%	0.304	S	S	*	.			trans	-87.4	53.6	173.3	-66.5	-173.9	1.5	0	0	111
50	S	80.9	Confident	88.7	Confident	47 Å²	47	62.8 Å²	62.8	33%	0.329	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-87.1	156	180	87.4	0	0	0	0	112.2	R48 I52 R97 E343	R48-S50 PolarHBondContact O-N 3.06Å; S50-I52 PolarHBondContact O-N 2.95Å; S50-R97 PolarHBondContact OG-NH2 3.38Å; S50-E343 VanDerWaalsContact CB-OE1 3.24Å; S50-E343 WeakPolarHBondContact CB-OE1 3.4Å; S50-E343 VanDerWaalsContact OG-CD 3.28Å; S50-E343 PolarHBondContact OG-OE1 2.81Å; S50-E343 PolarHBondContact OG-OE2 3.05Å
51	K	89.6	Confident	88.4	Confident	144 Å²	144	59.9 Å²	59.9	63%	0.626	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-64.8	123.1	177.2	-168.6	174.7	-178.3	175.7	0	109.5	E25 R97	E25-K51 IonicContact OE1-NZ 2.72Å; E25-K51 PolarHBondContact OE1-NZ 3.48Å; E25-K51 IonicContact OE2-NZ 3Å; E25-K51 PolarHBondContact OE2-NZ 3.33Å; K51-R97 PolarHBondContact O-NH1 3.03Å
52	I	91.4	Very high	87.7	Confident	35 Å²	35	69 Å²	69	18%	0.179	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-84.1	131.1	177.8	-58.1	169	0	0	0	108.5	V43 A45 S50 I345	V43-I52 HydrophobicContact CG1-CD1 4.02Å; V43-I52 HydrophobicContact CG1-CG2 4.07Å; V43-I52 HydrophobicContact CG2-CD1 4.1Å; V43-I52 HydrophobicContact CG2-CG2 3.81Å; A45-I52 HydrophobicContact CB-CD1 4.42Å; A45-I52 HydrophobicContact CB-CG1 4.39Å; S50-I52 PolarHBondContact O-N 2.95Å; I52-I345 HydrophobicContact CG1-CD1 4.17Å
53	P	92.1	Very high	86.8	Confident	4 Å²	4	66.7 Å²	66.7	3%	0.026	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-60.5	145.4	-178.9	24.2	-33.9	0	0	0	111.4	R36 F63 Q88 P91 I92 Q95	R36-P53 PolarHBondContact NH2-O 3.31Å; P53-F63 HydrophobicContact CB-CE1 4.24Å; P53-F63 HydrophobicContact CB-CZ 4.18Å; P53-Q88 PolarHBondContact O-NE2 3.42Å; P53-P91 HydrophobicContact CB-CB 4.1Å; P53-P91 HydrophobicContact CG-CB 4.26Å; P53-I92 HydrophobicContact CG-CB 4.42Å; P53-I92 HydrophobicContact CG-CG1 3.74Å; P53-Q95 VanDerWaalsContact CG-OE1 3.29Å
54	P	92.9	Very high	85.8	Confident	40 Å²	40	65.5 Å²	65.5	26%	0.26	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-62.7	152.6	174.1	29.2	-35.4	0	0	0	110.6	A32 F63	A32-P54 HydrophobicContact CB-CB 4.06Å; P54-F63 HydrophobicContact CG-CE1 4.13Å; P54-F63 HydrophobicContact CG-CE2 4.3Å; P54-F63 HydrophobicContact CG-CZ 3.86Å
55	P	93.6	Very high	85.3	Confident	4 Å²	4	70.9 Å²	70.9	3%	0.026	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-67.1	149.9	173.8	29.4	-33.1	0	0	0	111	A32 Y35 Y57 S87	A32-P55 HydrophobicContact CB-CG 4.44Å; Y35-P55 HydrophobicContact CD1-CB 4.04Å; Y35-P55 HydrophobicContact CD1-CG 3.7Å; Y35-P55 HydrophobicContact CE1-CB 4.16Å; Y35-P55 HydrophobicContact CE1-CG 4.32Å; Y35-P55 HydrophobicContact CG-CG 4.32Å; P55-Y57 HydrophobicContact CG-CE1 4.11Å; P55-S87 CarbonylContact C-O 3.54Å; P55-S87 WeakPolarHBondContact CA-O 3.15Å
56	I	93.7	Very high	85	Confident	4 Å²	4	70.1 Å²	70.1	2%	0.021	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-83.5	135	168.1	61.3	172.7	0	0	0	110.5	F59 S61 F63 C64 P82 S87 I90 P91	I56-F59 HydrophobicContact CD1-CD1 4.45Å; I56-S61 WeakPolarHBondContact CG2-OG 3.12Å; I56-F63 HydrophobicContact CG2-CD1 4Å; I56-C64 WeakPolarHBondContact CG2-SG 3.48Å; I56-P82 HydrophobicContact CG1-CB 4.42Å; I56-P82 HydrophobicContact CG1-CG 4.29Å; I56-P82 WeakPolarHBondContact O-CG 3.19Å; I56-S87 WeakPolarHBondContact CG1-O 3.32Å; I56-S87 PolarHBondContact N-O 3.15Å; I56-S87 WeakPolarHBondContact O-CB 3.3Å; I56-I90 HydrophobicContact CD1-CB 4.19Å; I56-I90 HydrophobicContact CD1-CD1 4.09Å; I56-I90 HydrophobicContact CD1-CG2 4.13Å; I56-P91 HydrophobicContact CG2-CG 4.34Å
57	Y	91.8	Very high	85.2	Confident	83 Å²	83	71 Å²	71	33%	0.325	34%	0.339	S	S	.	.	S	Bend	trans	-95.2	-14.9	177.8	-48.9	-69.3	0	0	0	112.5	K31 A32 Y35 P55	K31-Y57 HydrophobicContact CD-CE2 4.18Å; A32-Y57 PolarHBondContact N-OH 3.17Å; Y35-Y57 HydrophobicContact CD1-CE1 4.16Å; Y35-Y57 AromaticContact CD2-CD1 3.56Å; Y35-Y57 HydrophobicContact CD2-CD1 3.56Å; Y35-Y57 AromaticContact CD2-CE1 3.48Å; Y35-Y57 HydrophobicContact CD2-CE1 3.48Å; Y35-Y57 VanDerWaalsContact CD2-CE1 3.48Å; Y35-Y57 AromaticContact CE2-CD1 3.71Å; Y35-Y57 HydrophobicContact CE2-CD1 3.71Å; Y35-Y57 HydrophobicContact CE2-CE1 4.08Å; Y35-Y57 HydrophobicContact CG-CD1 4.04Å; Y35-Y57 AromaticContact CG-CE1 3.52Å; Y35-Y57 HydrophobicContact CG-CE1 3.52Å; P55-Y57 HydrophobicContact CG-CE1 4.11Å
58	S	92.7	Very high	85.7	Confident	47 Å²	47	73.1 Å²	73.1	33%	0.329	35%	0.35	S	S	.	.	S	Bend	trans	-150.3	142.2	-178.3	173.3	0	0	0	0	108.9	W60 S61	S58-W60 VanDerWaalsContact C-N 3.26Å; S58-W60 PolarHBondContact O-N 3.45Å; S58-W60 PolarHBondContact OG-N 3.43Å; S58-S61 VanDerWaalsContact O-CB 3.32Å; S58-S61 WeakPolarHBondContact O-CB 3.42Å; S58-S61 PolarHBondContact O-N 3.43Å; S58-S61 PolarHBondContact O-OG 2.81Å; S58-S61 VanDerWaalsContact O-OG 3.07Å
59	F	90.2	Very high	86.2	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-34.6	176.6	-69.5	-69.9	0	0	0	112	I56 S61 L71 L74 Y79 T81 P82 I90 L115	I56-F59 HydrophobicContact CD1-CD1 4.45Å; F59-S61 PolarHBondContact O-N 3.22Å; F59-S61 VanDerWaalsContact O-N 3.11Å; F59-L71 HydrophobicContact CB-CD2 3.95Å; F59-L71 WeakPolarHBondContact O-CD2 3.49Å; F59-L74 HydrophobicContact CB-CD1 4.33Å; F59-L74 HydrophobicContact CD1-CD1 4.08Å; F59-L74 HydrophobicContact CG-CD1 4.16Å; F59-Y79 HydrophobicContact CE2-CD1 4.35Å; F59-Y79 HydrophobicContact CZ-CD1 4.24Å; F59-T81 VanDerWaalsContact CE2-C 3.43Å; F59-P82 HydrophobicContact CD1-CB 4.43Å; F59-P82 HydrophobicContact CE1-CB 3.93Å; F59-P82 HydrophobicContact CE2-CB 4.11Å; F59-P82 VanDerWaalsContact CZ-CA 3.47Å; F59-P82 HydrophobicContact CZ-CB 3.77Å; F59-I90 HydrophobicContact CD1-CD1 4.36Å; F59-I90 HydrophobicContact CE1-CD1 3.84Å; F59-L115 HydrophobicContact CD1-CD1 4.16Å; F59-L115 HydrophobicContact CE1-CD1 3.68Å
60	W	88.2	Confident	87	Confident	119 Å²	119	62.5 Å²	62.5	45%	0.451	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	9.5	177.7	-60.9	-96.5	0	0	0	113.9	S58 K62 K80	S58-W60 VanDerWaalsContact C-N 3.26Å; S58-W60 PolarHBondContact O-N 3.45Å; S58-W60 PolarHBondContact OG-N 3.43Å; W60-K62 PolarHBondContact O-N 3.04Å; W60-K80 WeakPolarHBondContact CZ3-O 3.2Å
61	S	82.3	Confident	87.5	Confident	33 Å²	33	61 Å²	61	23%	0.231	30%	0.296	C	S	.	.			trans	-67.6	127.2	175.1	71.1	0	0	0	0	110.4	I56 S58 F59 F63 C64	I56-S61 WeakPolarHBondContact CG2-OG 3.12Å; S58-S61 VanDerWaalsContact O-CB 3.32Å; S58-S61 WeakPolarHBondContact O-CB 3.42Å; S58-S61 PolarHBondContact O-N 3.43Å; S58-S61 PolarHBondContact O-OG 2.81Å; S58-S61 VanDerWaalsContact O-OG 3.07Å; F59-S61 PolarHBondContact O-N 3.22Å; F59-S61 VanDerWaalsContact O-N 3.11Å; S61-F63 PolarHBondContact O-N 3.12Å; S61-C64 PolarHBondContact O-N 3.25Å
62	K	76.7	Confident	87.6	Confident	203 Å²	203	59.3 Å²	59.3	88%	0.883	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-13.3	174.7	-67	-169.9	176.3	-172.9	0	113.7	W60 C64	W60-K62 PolarHBondContact O-N 3.04Å; K62-C64 VanDerWaalsContact C-N 3.32Å; K62-C64 PolarHBondContact O-N 3.19Å
63	F	74.5	Confident	87.7	Confident	104 Å²	104	58.6 Å²	58.6	46%	0.456	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-34.1	-179.5	-174.3	-108.5	0	0	0	113.5	P53 P54 I56 S61 P91	P53-F63 HydrophobicContact CB-CE1 4.24Å; P53-F63 HydrophobicContact CB-CZ 4.18Å; P54-F63 HydrophobicContact CG-CE1 4.13Å; P54-F63 HydrophobicContact CG-CE2 4.3Å; P54-F63 HydrophobicContact CG-CZ 3.86Å; I56-F63 HydrophobicContact CG2-CD1 4Å; S61-F63 PolarHBondContact O-N 3.12Å; F63-P91 HydrophobicContact CD1-CB 4.21Å; F63-P91 HydrophobicContact CE1-CB 3.7Å
64	C	72.4	Confident	87.7	Confident	4 Å²	4	58.4 Å²	58.4	3%	0.027	29%	0.286	C	S	.	.	S	Bend	trans	-100.6	-3.7	-177.4	-76	0	0	0	0	114.6	I56 S61 K62 I66 I90 M94	I56-C64 WeakPolarHBondContact CG2-SG 3.48Å; S61-C64 PolarHBondContact O-N 3.25Å; K62-C64 VanDerWaalsContact C-N 3.32Å; K62-C64 PolarHBondContact O-N 3.19Å; C64-I66 HydrophobicContact CB-CD1 4.24Å; C64-I66 HydrophobicContact CB-CG1 3.93Å; C64-I66 PolarHBondContact O-N 3.32Å; C64-I66 VanDerWaalsContact O-N 3.12Å; C64-I90 HydrophobicContact CB-CG2 4.48Å; C64-M94 HydrophobicContact CB-CG 4.48Å; C64-M94 WeakPolarHBondContact O-CE 3.46Å
65	Q	82	Confident	87.7	Confident	164 Å²	164	59.5 Å²	59.5	77%	0.766	29%	0.294	S	S	*	.			trans	43	47.8	179.8	-61	179.7	1.7	0	0	112.9	N119	Q65-N119 PolarHBondContact O-ND2 3.37Å
66	I	86.5	Confident	87.6	Confident	13 Å²	13	66 Å²	66	7%	0.067	32%	0.324	C	S	.	.			trans	-74.8	132.3	175.8	-57.7	177.4	0	0	0	107.5	C64 I70 L71 I90 N119	C64-I66 HydrophobicContact CB-CD1 4.24Å; C64-I66 HydrophobicContact CB-CG1 3.93Å; C64-I66 PolarHBondContact O-N 3.32Å; C64-I66 VanDerWaalsContact O-N 3.12Å; I66-I70 HydrophobicContact CG2-CB 3.94Å; I66-I70 HydrophobicContact CG2-CG2 3.82Å; I66-L71 HydrophobicContact CB-CD1 4.48Å; I66-L71 HydrophobicContact CB-CD2 4.03Å; I66-L71 HydrophobicContact CB-CG 4.13Å; I66-L71 HydrophobicContact CD1-CD2 4.48Å; I66-L71 HydrophobicContact CG2-CD2 3.91Å; I66-L71 HydrophobicContact CG2-CG 3.91Å; I66-I90 HydrophobicContact CD1-CG2 4.42Å; I66-N119 WeakPolarHBondContact CA-OD1 3.5Å
67	S	87.7	Confident	87.5	Confident	37 Å²	37	68.6 Å²	68.6	26%	0.259	34%	0.338	S	S	.	.			trans	-54.2	137.1	177.3	175.6	0	0	0	0	111.6	L69 I70 L71 N119	S67-L69 PolarHBondContact O-N 3.41Å; S67-L69 VanDerWaalsContact O-N 3.17Å; S67-I70 PolarHBondContact O-N 3.41Å; S67-L71 PolarHBondContact O-N 3.14Å; S67-N119 PolarHBondContact N-OD1 3.03Å
68	D	87.8	Confident	87.5	Confident	133 Å²	133	67.1 Å²	67.1	71%	0.711	35%	0.347	S	S	*	.	H	α-helix	trans	-57.1	-32	179.9	-65.5	-37.2	0	0	0	112.5	L71 H72	D68-L71 PolarHBondContact O-N 3.21Å; D68-H72 WeakPolarHBondContact O-CB 3.46Å; D68-H72 PolarHBondContact O-N 3.17Å
69	L	88.5	Confident	87.4	Confident	95 Å²	95	67.2 Å²	67.2	50%	0.497	34%	0.341	S	S	.	.	H	α-helix	trans	-63.3	-43.9	175.1	-65.5	172.8	0	0	0	112	S67 H72 N73 I174	S67-L69 PolarHBondContact O-N 3.41Å; S67-L69 VanDerWaalsContact O-N 3.17Å; L69-H72 PolarHBondContact O-N 3.31Å; L69-N73 PolarHBondContact O-N 3.42Å; L69-N73 VanDerWaalsContact O-N 3.12Å; L69-N73 PolarHBondContact O-ND2 3.07Å; L69-I174 HydrophobicContact CB-CD1 4.03Å; L69-I174 HydrophobicContact CB-CG1 4.04Å; L69-I174 HydrophobicContact CD1-CG1 4.29Å
70	I	91.1	Very high	87.4	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-68.7	-39.2	176.7	-65.1	178.7	0	0	0	110.2	I66 S67 H72 N73 L74 L115 L118 N119 L122 I174	I66-I70 HydrophobicContact CG2-CB 3.94Å; I66-I70 HydrophobicContact CG2-CG2 3.82Å; S67-I70 PolarHBondContact O-N 3.41Å; I70-H72 VanDerWaalsContact C-N 3.35Å; I70-N73 PolarHBondContact O-N 2.99Å; I70-L74 HydrophobicContact CG2-CD1 4.31Å; I70-L74 WeakPolarHBondContact O-CB 3.43Å; I70-L74 WeakPolarHBondContact O-CG 3.32Å; I70-L74 PolarHBondContact O-N 3.11Å; I70-L115 HydrophobicContact CG2-CD2 3.49Å; I70-L115 VanDerWaalsContact CG2-CD2 3.49Å; I70-L118 HydrophobicContact CD1-CB 4.02Å; I70-N119 HydrophobicContact CD1-CB 4.15Å; I70-L122 HydrophobicContact CD1-CD1 3.57Å; I70-L122 HydrophobicContact CG1-CD1 3.9Å; I70-I174 HydrophobicContact CG1-CD1 3.95Å
71	L	92	Very high	87.6	Confident	14 Å²	14	74.8 Å²	74.8	7%	0.073	39%	0.386	C	S	.	.	H	α-helix	trans	-63.7	-39.4	176.8	-69.2	176.1	0	0	0	112.1	F59 I66 S67 D68 L74 S75	F59-L71 HydrophobicContact CB-CD2 3.95Å; F59-L71 WeakPolarHBondContact O-CD2 3.49Å; I66-L71 HydrophobicContact CB-CD1 4.48Å; I66-L71 HydrophobicContact CB-CD2 4.03Å; I66-L71 HydrophobicContact CB-CG 4.13Å; I66-L71 HydrophobicContact CD1-CD2 4.48Å; I66-L71 HydrophobicContact CG2-CD2 3.91Å; I66-L71 HydrophobicContact CG2-CG 3.91Å; S67-L71 PolarHBondContact O-N 3.14Å; D68-L71 PolarHBondContact O-N 3.21Å; L71-L74 HydrophobicContact CD2-CD1 4.23Å; L71-L74 WeakPolarHBondContact O-CB 3.22Å; L71-L74 PolarHBondContact O-N 3.14Å; L71-S75 PolarHBondContact O-N 3.37Å; L71-S75 VanDerWaalsContact O-N 3.07Å
72	H	91.9	Very high	88.1	Confident	110 Å²	110	73.5 Å²	73.5	51%	0.509	38%	0.377	S	S	.	.	H	α-helix	trans	-60.9	-49.9	173.3	178.6	62.3	0	0	0	111.1	D68 L69 I70 L74 S75 E76	D68-H72 WeakPolarHBondContact O-CB 3.46Å; D68-H72 PolarHBondContact O-N 3.17Å; L69-H72 PolarHBondContact O-N 3.31Å; I70-H72 VanDerWaalsContact C-N 3.35Å; H72-L74 VanDerWaalsContact C-N 3.29Å; H72-L74 PolarHBondContact O-N 3.07Å; H72-S75 VanDerWaalsContact O-CB 3.31Å; H72-S75 WeakPolarHBondContact O-CB 3.44Å; H72-S75 PolarHBondContact O-N 2.71Å; H72-E76 IonicContact CE1-OE1 3.91Å; H72-E76 PolarHBondContact O-N 2.77Å
73	N	93.1	Very high	88.9	Confident	20 Å²	20	65.9 Å²	65.9	11%	0.107	35%	0.347	C	S	.	.	H	α-helix	trans	-60.3	-37.9	176.9	-71	-20.9	0	0	0	112.7	L69 I70 S75 E76 L77 L170 S172	L69-N73 PolarHBondContact O-N 3.42Å; L69-N73 VanDerWaalsContact O-N 3.12Å; L69-N73 PolarHBondContact O-ND2 3.07Å; I70-N73 PolarHBondContact O-N 2.99Å; N73-S75 VanDerWaalsContact C-N 3.34Å; N73-E76 PolarHBondContact O-N 3.02Å; N73-L77 WeakPolarHBondContact O-CB 3.49Å; N73-L77 WeakPolarHBondContact O-CD1 3.47Å; N73-L77 WeakPolarHBondContact O-CG 3.5Å; N73-L77 PolarHBondContact O-N 3.17Å; N73-L170 WeakPolarHBondContact CB-O 3.37Å; N73-L170 PolarHBondContact ND2-O 3.38Å; N73-S172 PolarHBondContact ND2-N 2.85Å; N73-S172 PolarHBondContact ND2-O 3.47Å; N73-S172 PolarHBondContact OD1-O 3.32Å
74	L	92.2	Very high	89.8	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-59.9	-44.4	173.9	-83.4	171	0	0	0	111.8	F59 I70 L71 H72 L77 G78 Y79 L115 L170	F59-L74 HydrophobicContact CB-CD1 4.33Å; F59-L74 HydrophobicContact CD1-CD1 4.08Å; F59-L74 HydrophobicContact CG-CD1 4.16Å; I70-L74 HydrophobicContact CG2-CD1 4.31Å; I70-L74 WeakPolarHBondContact O-CB 3.43Å; I70-L74 WeakPolarHBondContact O-CG 3.32Å; I70-L74 PolarHBondContact O-N 3.11Å; L71-L74 HydrophobicContact CD2-CD1 4.23Å; L71-L74 WeakPolarHBondContact O-CB 3.22Å; L71-L74 PolarHBondContact O-N 3.14Å; H72-L74 VanDerWaalsContact C-N 3.29Å; H72-L74 PolarHBondContact O-N 3.07Å; L74-L77 PolarHBondContact O-N 2.99Å; L74-G78 PolarHBondContact O-N 2.83Å; L74-Y79 HydrophobicContact CD2-CD1 4.05Å; L74-Y79 HydrophobicContact CD2-CD2 3.56Å; L74-Y79 HydrophobicContact CD2-CE2 4.12Å; L74-Y79 HydrophobicContact CD2-CG 3.51Å; L74-Y79 WeakPolarHBondContact O-CB 3.3Å; L74-Y79 PolarHBondContact O-N 2.88Å; L74-L115 HydrophobicContact CD1-CD1 4.05Å; L74-L115 HydrophobicContact CD1-CD2 3.69Å; L74-L115 HydrophobicContact CD2-CD1 4.14Å; L74-L115 HydrophobicContact CD2-CD2 4Å; L74-L115 HydrophobicContact CG-CD2 3.99Å; L74-L170 HydrophobicContact CD2-CD2 3.49Å; L74-L170 VanDerWaalsContact CD2-CD2 3.49Å; L74-L170 HydrophobicContact CG-CD2 4.05Å
75	S	91.9	Very high	90.9	Very high	63 Å²	63	62.6 Å²	62.6	44%	0.441	34%	0.336	S	S	.	.	H	α-helix	trans	-60	-50.6	176.9	-171.7	0	0	0	0	111.5	L71 H72 N73 L77 G78	L71-S75 PolarHBondContact O-N 3.37Å; L71-S75 VanDerWaalsContact O-N 3.07Å; H72-S75 VanDerWaalsContact O-CB 3.31Å; H72-S75 WeakPolarHBondContact O-CB 3.44Å; H72-S75 PolarHBondContact O-N 2.71Å; N73-S75 VanDerWaalsContact C-N 3.34Å; S75-L77 VanDerWaalsContact C-N 3.25Å; S75-L77 PolarHBondContact O-N 3.44Å; S75-G78 WeakPolarHBondContact O-CA 3.17Å; S75-G78 PolarHBondContact O-N 2.87Å
76	E	92.8	Very high	91.6	Very high	139 Å²	139	54.9 Å²	54.9	65%	0.65	30%	0.3	S	S	*	.	H	α-helix	trans	-61.2	-33.7	179.1	-69.9	-57.5	123.2	0	0	112.6	H72 N73 G78	H72-E76 IonicContact CE1-OE1 3.91Å; H72-E76 PolarHBondContact O-N 2.77Å; N73-E76 PolarHBondContact O-N 3.02Å; E76-G78 PolarHBondContact O-N 2.73Å
77	L	92	Very high	92	Very high	60 Å²	60	54.3 Å²	54.3	31%	0.314	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-1	175.7	-67.4	169.3	0	0	0	113.9	N73 L74 S75 Y79 R169 L170	N73-L77 WeakPolarHBondContact O-CB 3.49Å; N73-L77 WeakPolarHBondContact O-CD1 3.47Å; N73-L77 WeakPolarHBondContact O-CG 3.5Å; N73-L77 PolarHBondContact O-N 3.17Å; L74-L77 PolarHBondContact O-N 2.99Å; S75-L77 VanDerWaalsContact C-N 3.25Å; S75-L77 PolarHBondContact O-N 3.44Å; L77-Y79 HydrophobicContact CB-CD2 3.75Å; L77-Y79 HydrophobicContact CB-CE2 3.9Å; L77-Y79 HydrophobicContact CD1-CE2 4.41Å; L77-R169 HydrophobicContact CD1-CB 3.82Å; L77-R169 HydrophobicContact CD2-CB 3.83Å; L77-R169 HydrophobicContact CD2-CG 4.21Å; L77-R169 HydrophobicContact CG-CB 4.47Å; L77-L170 HydrophobicContact CD1-CD2 3.82Å; L77-L170 HydrophobicContact CD1-CG 4.24Å
78	G	91.5	Very high	92.4	Very high	51 Å²	51	52.5 Å²	52.5	53%	0.526	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	16.8	176.6	0	0	0	0	0	114.9	L74 S75 E76 K80	L74-G78 PolarHBondContact O-N 2.83Å; S75-G78 WeakPolarHBondContact O-CA 3.17Å; S75-G78 PolarHBondContact O-N 2.87Å; E76-G78 PolarHBondContact O-N 2.73Å; G78-K80 PolarHBondContact O-N 3.33Å
79	Y	90.4	Very high	92.9	Very high	50 Å²	50	46.2 Å²	46.2	20%	0.196	25%	0.251	C	S	.	.			trans	-75.2	90.3	175	-74.2	-93.3	0	0	0	111	F59 L74 L77 A111 E166 L170	F59-Y79 HydrophobicContact CE2-CD1 4.35Å; F59-Y79 HydrophobicContact CZ-CD1 4.24Å; L74-Y79 HydrophobicContact CD2-CD1 4.05Å; L74-Y79 HydrophobicContact CD2-CD2 3.56Å; L74-Y79 HydrophobicContact CD2-CE2 4.12Å; L74-Y79 HydrophobicContact CD2-CG 3.51Å; L74-Y79 WeakPolarHBondContact O-CB 3.3Å; L74-Y79 PolarHBondContact O-N 2.88Å; L77-Y79 HydrophobicContact CB-CD2 3.75Å; L77-Y79 HydrophobicContact CB-CE2 3.9Å; L77-Y79 HydrophobicContact CD1-CE2 4.41Å; Y79-A111 HydrophobicContact CE1-CB 3.91Å; Y79-E166 PolarHBondContact OH-OE1 3.26Å; Y79-L170 HydrophobicContact CE2-CD2 4.31Å
80	K	89.1	Confident	93.3	Very high	177 Å²	177	41.7 Å²	41.7	77%	0.77	23%	0.227	S	C	*	.			trans	-74.9	-48.7	-179.4	-62.1	-174.5	179.4	-175.3	0	113.3	W60 G78	W60-K80 WeakPolarHBondContact CZ3-O 3.2Å; G78-K80 PolarHBondContact O-N 3.33Å
81	T	92.3	Very high	93.5	Very high	100 Å²	100	41.8 Å²	41.8	61%	0.613	23%	0.228	S	C	*	.	S	Bend	trans	-141.5	148.5	-176.3	51.7	0	0	0	0	110.5	F59 T83	F59-T81 VanDerWaalsContact CE2-C 3.43Å; T81-T83 PolarHBondContact O-N 2.94Å
82	P	94.3	Very high	93.7	Very high	7 Å²	7	41.1 Å²	41.1	5%	0.045	22%	0.224	C	C	.	.			trans	-67.8	133.2	178.5	27	-33.3	0	0	0	110.6	I56 F59 Q86	I56-P82 HydrophobicContact CG1-CB 4.42Å; I56-P82 HydrophobicContact CG1-CG 4.29Å; I56-P82 WeakPolarHBondContact O-CG 3.19Å; F59-P82 HydrophobicContact CD1-CB 4.43Å; F59-P82 HydrophobicContact CE1-CB 3.93Å; F59-P82 HydrophobicContact CE2-CB 4.11Å; F59-P82 VanDerWaalsContact CZ-CA 3.47Å; F59-P82 HydrophobicContact CZ-CB 3.77Å; P82-Q86 HydrophobicContact CB-CB 4.04Å
83	T	93.3	Very high	93.9	Very high	42 Å²	42	35.9 Å²	35.9	26%	0.258	20%	0.2	S	C	.	.			trans	-64.9	160.9	169.8	70.1	0	0	0	0	110.4	T81 I85 Q86 S87 S107	T81-T83 PolarHBondContact O-N 2.94Å; T83-I85 PolarHBondContact O-N 3.2Å; T83-I85 VanDerWaalsContact O-N 3.09Å; T83-I85 WeakPolarHBondContact OG1-CG2 3.18Å; T83-Q86 WeakPolarHBondContact O-CA 3.41Å; T83-Q86 WeakPolarHBondContact O-CB 3.1Å; T83-Q86 PolarHBondContact O-N 2.84Å; T83-Q86 VanDerWaalsContact OG1-CG 3.3Å; T83-Q86 WeakPolarHBondContact OG1-CG 3.37Å; T83-Q86 PolarHBondContact OG1-N 2.81Å; T83-Q86 PolarHBondContact OG1-OE1 3.16Å; T83-S87 WeakPolarHBondContact O-CB 3.21Å; T83-S87 PolarHBondContact O-N 3.46Å; T83-S107 WeakPolarHBondContact CB-O 3.31Å; T83-S107 PolarHBondContact OG1-O 3.46Å
84	P	93.7	Very high	93.9	Very high	39 Å²	39	36.7 Å²	36.7	25%	0.253	20%	0.204	S	C	.	.	H	α-helix	trans	-53.6	-36.1	-179.6	-31.7	38	0	0	0	114.2	H39 I41 S87 V349	H39-P84 HydrophobicContact CB-CB 4.05Å; H39-P84 HydrophobicContact CB-CG 3.99Å; I41-P84 HydrophobicContact CD1-CB 4Å; I41-P84 HydrophobicContact CG1-CB 4.16Å; P84-S87 PolarHBondContact O-OG 3.24Å; P84-V349 HydrophobicContact CB-CG1 3.7Å; P84-V349 HydrophobicContact CB-CG2 4.41Å
85	I	95	Very high	93.9	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-69.7	-44	175.5	-173.8	66.8	0	0	0	111.8	T83 S87 Q88 S89 A101 A103 S107 K109 A112 F315 L347 V349	T83-I85 PolarHBondContact O-N 3.2Å; T83-I85 VanDerWaalsContact O-N 3.09Å; T83-I85 WeakPolarHBondContact OG1-CG2 3.18Å; I85-S87 VanDerWaalsContact C-N 3.35Å; I85-Q88 PolarHBondContact O-N 2.93Å; I85-S89 VanDerWaalsContact O-CB 3.25Å; I85-S89 WeakPolarHBondContact O-CB 3.43Å; I85-S89 PolarHBondContact O-N 3.32Å; I85-S89 PolarHBondContact O-OG 3.18Å; I85-A101 HydrophobicContact CD1-CB 3.89Å; I85-A103 HydrophobicContact CB-CB 3.86Å; I85-A103 HydrophobicContact CD1-CB 3.97Å; I85-A103 HydrophobicContact CG1-CB 3.93Å; I85-A103 HydrophobicContact CG2-CB 4.36Å; I85-S107 WeakPolarHBondContact CG2-O 3.26Å; I85-K109 HydrophobicContact CG1-CG 4.45Å; I85-A112 HydrophobicContact CG1-CB 4.42Å; I85-A112 HydrophobicContact CG2-CB 4.42Å; I85-F315 HydrophobicContact CG1-CE1 4.34Å; I85-L347 HydrophobicContact CD1-CD2 3.51Å; I85-L347 HydrophobicContact CD1-CG 3.87Å; I85-V349 HydrophobicContact CB-CG2 4Å; I85-V349 HydrophobicContact CD1-CG2 3.97Å
86	Q	96.3	Very high	93.9	Very high	2 Å²	2	43 Å²	43	1%	0.009	23%	0.226	C	C	.	.	H	α-helix	trans	-62.7	-42.9	177.5	-68.1	163.2	-3.1	0	0	111.1	P82 T83 Q88 I90 G108 A112	P82-Q86 HydrophobicContact CB-CB 4.04Å; T83-Q86 WeakPolarHBondContact O-CA 3.41Å; T83-Q86 WeakPolarHBondContact O-CB 3.1Å; T83-Q86 PolarHBondContact O-N 2.84Å; T83-Q86 VanDerWaalsContact OG1-CG 3.3Å; T83-Q86 WeakPolarHBondContact OG1-CG 3.37Å; T83-Q86 PolarHBondContact OG1-N 2.81Å; T83-Q86 PolarHBondContact OG1-OE1 3.16Å; Q86-Q88 PolarHBondContact O-N 3.48Å; Q86-Q88 VanDerWaalsContact O-N 3.16Å; Q86-I90 HydrophobicContact CB-CD1 3.87Å; Q86-I90 WeakPolarHBondContact O-CB 3.28Å; Q86-I90 WeakPolarHBondContact O-CD1 3.4Å; Q86-I90 WeakPolarHBondContact O-CG1 3.48Å; Q86-I90 PolarHBondContact O-N 3.26Å; Q86-I90 VanDerWaalsContact O-N 3.16Å; Q86-G108 PolarHBondContact NE2-O 3.22Å; Q86-A112 HydrophobicContact CB-CB 4.33Å; Q86-A112 HydrophobicContact CG-CB 3.62Å
87	S	95.9	Very high	93.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-53.4	-39.4	-178.9	77.7	0	0	0	0	112.1	P55 I56 T83 P84 I85 P91	P55-S87 CarbonylContact C-O 3.54Å; P55-S87 WeakPolarHBondContact CA-O 3.15Å; I56-S87 WeakPolarHBondContact CG1-O 3.32Å; I56-S87 PolarHBondContact N-O 3.15Å; I56-S87 WeakPolarHBondContact O-CB 3.3Å; T83-S87 WeakPolarHBondContact O-CB 3.21Å; T83-S87 PolarHBondContact O-N 3.46Å; P84-S87 PolarHBondContact O-OG 3.24Å; I85-S87 VanDerWaalsContact C-N 3.35Å; S87-P91 VanDerWaalsContact O-CD 3.28Å; S87-P91 WeakPolarHBondContact O-CD 3.48Å; S87-P91 VanDerWaalsContact O-CG 3.3Å; S87-P91 WeakPolarHBondContact O-CG 3.37Å
88	Q	96.2	Very high	93.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-102.6	-33.6	-174.1	-170.9	59.2	82.1	0	0	112.4	R36 I41 V43 P53 I85 Q86 P91 I92 L347	R36-Q88 VanDerWaalsContact NH2-OE1 3.07Å; I41-Q88 HydrophobicContact CG2-CB 4.31Å; I41-Q88 HydrophobicContact CG2-CG 4.15Å; V43-Q88 HydrophobicContact CG2-CG 4.34Å; P53-Q88 PolarHBondContact O-NE2 3.42Å; I85-Q88 PolarHBondContact O-N 2.93Å; Q86-Q88 PolarHBondContact O-N 3.48Å; Q86-Q88 VanDerWaalsContact O-N 3.16Å; Q88-P91 WeakPolarHBondContact O-CG 3.39Å; Q88-I92 HydrophobicContact CG-CD1 4.03Å; Q88-I92 WeakPolarHBondContact O-CD1 3.5Å; Q88-I92 WeakPolarHBondContact O-CG1 3.46Å; Q88-L347 HydrophobicContact CB-CD1 3.9Å; Q88-L347 HydrophobicContact CB-CD2 3.96Å; Q88-L347 HydrophobicContact CG-CD1 3.52Å; Q88-L347 HydrophobicContact CG-CD2 4.05Å; Q88-L347 HydrophobicContact CG-CG 4.43Å
89	S	97.1	Very high	94.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-74.3	-40	-178.2	71.2	0	0	0	0	113.4	I85 I92 M93 A112	I85-S89 VanDerWaalsContact O-CB 3.25Å; I85-S89 WeakPolarHBondContact O-CB 3.43Å; I85-S89 PolarHBondContact O-N 3.32Å; I85-S89 PolarHBondContact O-OG 3.18Å; S89-I92 PolarHBondContact O-N 3.47Å; S89-M93 WeakPolarHBondContact O-CG 3.3Å; S89-M93 PolarHBondContact O-N 3.4Å; S89-A112 VanDerWaalsContact OG-CB 3.27Å; S89-A112 WeakPolarHBondContact OG-CB 3.21Å; S89-A112 PolarHBondContact OG-O 2.97Å
90	I	96.6	Very high	94.4	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-56.6	-54.3	-178.5	-66.6	169.9	0	0	0	110.7	I56 F59 C64 I66 Q86 I92 M93 M94 L115	I56-I90 HydrophobicContact CD1-CB 4.19Å; I56-I90 HydrophobicContact CD1-CD1 4.09Å; I56-I90 HydrophobicContact CD1-CG2 4.13Å; F59-I90 HydrophobicContact CD1-CD1 4.36Å; F59-I90 HydrophobicContact CE1-CD1 3.84Å; C64-I90 HydrophobicContact CB-CG2 4.48Å; I66-I90 HydrophobicContact CD1-CG2 4.42Å; Q86-I90 HydrophobicContact CB-CD1 3.87Å; Q86-I90 WeakPolarHBondContact O-CB 3.28Å; Q86-I90 WeakPolarHBondContact O-CD1 3.4Å; Q86-I90 WeakPolarHBondContact O-CG1 3.48Å; Q86-I90 PolarHBondContact O-N 3.26Å; Q86-I90 VanDerWaalsContact O-N 3.16Å; I90-I92 VanDerWaalsContact C-N 3.29Å; I90-I92 PolarHBondContact O-N 3.31Å; I90-M93 PolarHBondContact O-N 3.47Å; I90-M94 HydrophobicContact CG2-CG 4.22Å; I90-M94 WeakPolarHBondContact O-CB 3.4Å; I90-M94 VanDerWaalsContact O-CG 3.3Å; I90-M94 WeakPolarHBondContact O-CG 3.29Å; I90-M94 PolarHBondContact O-N 3.01Å; I90-L115 HydrophobicContact CD1-CB 4.44Å; I90-L115 HydrophobicContact CD1-CD1 3.71Å
91	P	95.5	Very high	94.7	Very high	1 Å²	1	22 Å²	22	1%	0.006	12%	0.116	C	C	.	.	H	α-helix	trans	-64.8	-30.2	178.9	23.6	-33.9	0	0	0	113.6	P53 I56 F63 S87 Q88 Q95	P53-P91 HydrophobicContact CB-CB 4.1Å; P53-P91 HydrophobicContact CG-CB 4.26Å; I56-P91 HydrophobicContact CG2-CG 4.34Å; F63-P91 HydrophobicContact CD1-CB 4.21Å; F63-P91 HydrophobicContact CE1-CB 3.7Å; S87-P91 VanDerWaalsContact O-CD 3.28Å; S87-P91 WeakPolarHBondContact O-CD 3.48Å; S87-P91 VanDerWaalsContact O-CG 3.3Å; S87-P91 WeakPolarHBondContact O-CG 3.37Å; Q88-P91 WeakPolarHBondContact O-CG 3.39Å; P91-Q95 WeakPolarHBondContact O-CG 3.35Å; P91-Q95 PolarHBondContact O-N 3.35Å
92	I	95.6	Very high	94.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.9	-47.1	174.7	-66.9	163	0	0	0	110.6	V43 P53 Q88 S89 I90 Q95 R97 L99 I345 L347	V43-I92 HydrophobicContact CG2-CD1 4.23Å; P53-I92 HydrophobicContact CG-CB 4.42Å; P53-I92 HydrophobicContact CG-CG1 3.74Å; Q88-I92 HydrophobicContact CG-CD1 4.03Å; Q88-I92 WeakPolarHBondContact O-CD1 3.5Å; Q88-I92 WeakPolarHBondContact O-CG1 3.46Å; S89-I92 PolarHBondContact O-N 3.47Å; I90-I92 VanDerWaalsContact C-N 3.29Å; I90-I92 PolarHBondContact O-N 3.31Å; I92-Q95 PolarHBondContact O-N 2.89Å; I92-R97 HydrophobicContact CG2-CB 3.93Å; I92-R97 PolarHBondContact O-N 3.17Å; I92-L99 HydrophobicContact CD1-CD1 4.17Å; I92-L99 HydrophobicContact CG2-CD1 4.27Å; I92-I345 HydrophobicContact CD1-CG2 3.6Å; I92-I345 HydrophobicContact CG1-CG2 4.37Å; I92-I345 HydrophobicContact CG2-CB 4.07Å; I92-I345 HydrophobicContact CG2-CG1 4.04Å; I92-I345 HydrophobicContact CG2-CG2 4.26Å; I92-L347 HydrophobicContact CD1-CD2 4.38Å
93	M	96.1	Very high	94.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-71.3	-36	-179.3	-69.3	-177.6	67	0	0	112	S89 I90 Q95 H96 L99 P116 V117 Q120 W251 A313 F315	S89-M93 WeakPolarHBondContact O-CG 3.3Å; S89-M93 PolarHBondContact O-N 3.4Å; I90-M93 PolarHBondContact O-N 3.47Å; M93-Q95 PolarHBondContact O-N 3.16Å; M93-H96 PolarHBondContact O-N 3.16Å; M93-L99 HydrophobicContact CG-CD2 3.95Å; M93-L99 HydrophobicContact SD-CD2 4.11Å; M93-P116 HydrophobicContact CB-CB 3.67Å; M93-P116 HydrophobicContact CB-CG 3.61Å; M93-P116 HydrophobicContact CE-CG 3.83Å; M93-P116 HydrophobicContact CG-CG 4.27Å; M93-P116 HydrophobicContact SD-CG 3.76Å; M93-V117 HydrophobicContact CE-CG2 4.12Å; M93-Q120 PolarHBondContact O-NE2 2.95Å; M93-W251 HydrophobicContact CB-CH2 3.85Å; M93-W251 HydrophobicContact CB-CZ2 4.05Å; M93-W251 HydrophobicContact CE-CD2 4.2Å; M93-W251 HydrophobicContact CE-CE3 3.86Å; M93-W251 HydrophobicContact CE-CH2 3.82Å; M93-W251 HydrophobicContact CE-CZ2 4.13Å; M93-W251 HydrophobicContact CE-CZ3 3.68Å; M93-W251 HydrophobicContact CG-CH2 3.87Å; M93-W251 HydrophobicContact CG-CZ3 4.34Å; M93-W251 WeakPolarHBondContact O-CZ2 3.33Å; M93-A313 HydrophobicContact CE-CB 3.89Å; M93-A313 HydrophobicContact SD-CB 4.24Å; M93-F315 HydrophobicContact SD-CE2 4.18Å; M93-F315 HydrophobicContact SD-CZ 4.1Å
94	M	93.6	Very high	93.8	Very high	38 Å²	38	18.2 Å²	18.2	19%	0.187	10%	0.095	C	C	.	.	H	α-helix	trans	-61.1	-27.5	172.6	-73.6	-55.4	-69.6	0	0	112.8	C64 I90 H96 P116 N119 Q120	C64-M94 HydrophobicContact CB-CG 4.48Å; C64-M94 WeakPolarHBondContact O-CE 3.46Å; I90-M94 HydrophobicContact CG2-CG 4.22Å; I90-M94 WeakPolarHBondContact O-CB 3.4Å; I90-M94 VanDerWaalsContact O-CG 3.3Å; I90-M94 WeakPolarHBondContact O-CG 3.29Å; I90-M94 PolarHBondContact O-N 3.01Å; M94-H96 VanDerWaalsContact C-N 3.27Å; M94-H96 PolarHBondContact O-N 2.69Å; M94-P116 HydrophobicContact CG-CB 4.07Å; M94-P116 HydrophobicContact SD-CB 3.73Å; M94-N119 WeakPolarHBondContact CE-ND2 3.42Å; M94-N119 HydrophobicContact SD-CB 4.35Å; M94-Q120 HydrophobicContact SD-CG 4.29Å
95	Q	91.9	Very high	93	Very high	90 Å²	90	17.5 Å²	17.5	42%	0.421	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	14.9	172.5	-71.1	-172.5	-17.5	0	0	114	P53 P91 I92 M93 R97	P53-Q95 VanDerWaalsContact CG-OE1 3.29Å; P91-Q95 WeakPolarHBondContact O-CG 3.35Å; P91-Q95 PolarHBondContact O-N 3.35Å; I92-Q95 PolarHBondContact O-N 2.89Å; M93-Q95 PolarHBondContact O-N 3.16Å; Q95-R97 HydrophobicContact CB-CG 4.43Å; Q95-R97 PolarHBondContact O-N 3.42Å
96	H	92.1	Very high	92.1	Very high	104 Å²	104	20.5 Å²	20.5	48%	0.481	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	43.6	175.4	-63.4	-69.3	0	0	0	114.5	M93 M94 Q120 L311	M93-H96 PolarHBondContact O-N 3.16Å; M94-H96 VanDerWaalsContact C-N 3.27Å; M94-H96 PolarHBondContact O-N 2.69Å; H96-Q120 VanDerWaalsContact CE1-CD 3.41Å; H96-Q120 PolarHBondContact CE1-NE2 2.87Å; H96-Q120 PolarHBondContact CE1-OE1 3.01Å; H96-L311 VanDerWaalsContact C-CD1 3.46Å; H96-L311 VanDerWaalsContact CA-CD1 3.42Å; H96-L311 HydrophobicContact CB-CD1 3.67Å; H96-L311 WeakPolarHBondContact O-CD2 2.94Å
97	R	92.6	Very high	91.4	Very high	23 Å²	23	21.4 Å²	21.4	9%	0.087	13%	0.127	C	C	.	.			trans	-113.2	143	-178	-63.1	169.8	72.8	170.8	5.5	112.6	S50 K51 I92 Q95 E343 I345	S50-R97 PolarHBondContact OG-NH2 3.38Å; K51-R97 PolarHBondContact O-NH1 3.03Å; I92-R97 HydrophobicContact CG2-CB 3.93Å; I92-R97 PolarHBondContact O-N 3.17Å; Q95-R97 HydrophobicContact CB-CG 4.43Å; Q95-R97 PolarHBondContact O-N 3.42Å; R97-E343 IonicContact CZ-OE1 3.31Å; R97-E343 IonicContact CZ-OE2 3.73Å; R97-E343 IonicContact NE-OE2 3.52Å; R97-E343 PolarHBondContact NE-OE2 3.11Å; R97-E343 IonicContact NH2-OE1 2.8Å; R97-E343 PolarHBondContact NH2-OE1 3.33Å; R97-E343 IonicContact NH2-OE2 2.99Å; R97-E343 PolarHBondContact NH2-OE2 2.84Å; R97-I345 HydrophobicContact CB-CG1 4.46Å
98	N	93.9	Very high	91.1	Very high	12 Å²	12	22.5 Å²	22.5	6%	0.064	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	139.7	172.9	-56.9	-68.9	0	0	0	110.4	V312 Y342 E343 L344 I345	N98-V312 WeakPolarHBondContact CA-O 3.48Å; N98-V312 PolarHBondContact OD1-N 2.99Å; N98-Y342 HydrophobicContact CB-CE2 4.29Å; N98-Y342 WeakPolarHBondContact ND2-CE2 3.37Å; N98-E343 WeakPolarHBondContact CB-O 3.41Å; N98-E343 PolarHBondContact ND2-O 2.63Å; N98-L344 HydrophobicContact CB-CD1 4.08Å; N98-I345 PolarHBondContact O-N 3.2Å
99	L	95.7	Very high	90.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	133.2	-171.4	178.3	62	0	0	0	111.2	I92 M93 A101 V312 A313 L314 F315 I345 L347	I92-L99 HydrophobicContact CD1-CD1 4.17Å; I92-L99 HydrophobicContact CG2-CD1 4.27Å; M93-L99 HydrophobicContact CG-CD2 3.95Å; M93-L99 HydrophobicContact SD-CD2 4.11Å; L99-A101 HydrophobicContact CD1-CB 4.37Å; L99-A101 HydrophobicContact CD2-CB 4.14Å; L99-A101 HydrophobicContact CG-CB 4.04Å; L99-V312 PolarHBondContact N-O 2.99Å; L99-A313 HydrophobicContact CB-CB 4.46Å; L99-A313 CarbonylContact O-C 3.5Å; L99-A313 WeakPolarHBondContact O-CA 3.31Å; L99-L314 PolarHBondContact O-N 2.98Å; L99-F315 HydrophobicContact CD2-CE2 4.19Å; L99-F315 HydrophobicContact CD2-CZ 3.73Å; L99-I345 CarbonylContact C-O 3.47Å; L99-I345 WeakPolarHBondContact CA-O 3.01Å; L99-I345 HydrophobicContact CD1-CB 4.23Å; L99-I345 HydrophobicContact CD1-CG2 4.12Å; L99-I345 WeakPolarHBondContact CD1-O 3.21Å; L99-L347 HydrophobicContact CD1-CB 3.77Å; L99-L347 HydrophobicContact CD1-CD2 4.38Å
100	L	94.9	Very high	90.8	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	101.1	163.1	174.2	60.5	0	0	0	108.6	L314 V319 V324 A327 L344 I345 Q346 L347	L100-L314 CarbonylContact C-O 3.58Å; L100-L314 WeakPolarHBondContact CA-O 3.39Å; L100-L314 HydrophobicContact CD1-CB 3.7Å; L100-L314 HydrophobicContact CD1-CD1 4.15Å; L100-V319 HydrophobicContact CD1-CG1 4.21Å; L100-V319 HydrophobicContact CD1-CG2 4.3Å; L100-V319 HydrophobicContact CD2-CG1 4.11Å; L100-V319 HydrophobicContact CG-CG1 4.43Å; L100-V324 HydrophobicContact CD2-CB 4.41Å; L100-V324 HydrophobicContact CD2-CG1 4.42Å; L100-V324 HydrophobicContact CD2-CG2 4.13Å; L100-A327 HydrophobicContact CD2-CB 4.28Å; L100-L344 HydrophobicContact CB-CD1 4.07Å; L100-L344 HydrophobicContact CB-CD2 4.39Å; L100-L344 HydrophobicContact CB-CG 4.42Å; L100-I345 PolarHBondContact N-O 2.86Å; L100-Q346 WeakPolarHBondContact O-CA 3.49Å; L100-L347 PolarHBondContact O-N 3.06Å
101	A	95.3	Very high	90.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	125	-175.7	0	0	0	0	0	112.2	I85 L99 L314 F315 S316 L347	I85-A101 HydrophobicContact CD1-CB 3.89Å; L99-A101 HydrophobicContact CD1-CB 4.37Å; L99-A101 HydrophobicContact CD2-CB 4.14Å; L99-A101 HydrophobicContact CG-CB 4.04Å; A101-L314 PolarHBondContact N-O 3.45Å; A101-F315 HydrophobicContact CB-CD1 3.48Å; A101-F315 VanDerWaalsContact CB-CD1 3.48Å; A101-F315 HydrophobicContact CB-CE1 3.41Å; A101-F315 VanDerWaalsContact CB-CE1 3.41Å; A101-F315 HydrophobicContact CB-CE2 4.46Å; A101-F315 HydrophobicContact CB-CG 4.06Å; A101-F315 HydrophobicContact CB-CZ 3.94Å; A101-F315 WeakPolarHBondContact O-CA 3.14Å; A101-S316 PolarHBondContact O-N 2.91Å; A101-L347 CarbonylContact C-O 3.59Å; A101-L347 WeakPolarHBondContact CA-O 3.46Å
102	C	92.8	Very high	90.8	Very high	13 Å²	13	25.1 Å²	25.1	9%	0.088	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	119.3	173.1	-172.1	0	0	0	0	109.6	S316 V319 L347 R348 V349	C102-S316 WeakPolarHBondContact CA-O 3.15Å; C102-V319 HydrophobicContact CB-CB 4.25Å; C102-V319 HydrophobicContact CB-CG2 3.55Å; C102-L347 PolarHBondContact N-O 2.74Å; C102-R348 HydrophobicContact CB-CG 4.11Å; C102-R348 CarbonylContact O-C 3.59Å; C102-R348 WeakPolarHBondContact O-CA 3.46Å; C102-V349 PolarHBondContact O-N 3.26Å
103	A	88.8	Confident	90.8	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.008	15%	0.153	C	C	.	.			trans	-152.5	145.7	173.7	0	0	0	0	0	110.7	I85 S107 K109 S316 A317 V349	I85-A103 HydrophobicContact CB-CB 3.86Å; I85-A103 HydrophobicContact CD1-CB 3.97Å; I85-A103 HydrophobicContact CG1-CB 3.93Å; I85-A103 HydrophobicContact CG2-CB 4.36Å; A103-S107 VanDerWaalsContact CB-OG 3.25Å; A103-S107 WeakPolarHBondContact CB-OG 3.34Å; A103-K109 HydrophobicContact CB-CD 4.36Å; A103-K109 HydrophobicContact CB-CG 4.24Å; A103-K109 PolarHBondContact O-NZ 2.96Å; A103-S316 PolarHBondContact N-O 3.05Å; A103-S316 VanDerWaalsContact N-O 3.07Å; A103-A317 VanDerWaalsContact O-CA 3.24Å; A103-A317 WeakPolarHBondContact O-CA 3.45Å; A103-V349 HydrophobicContact CB-CB 3.92Å; A103-V349 HydrophobicContact CB-CG2 4.34Å
104	P	80.7	Confident	90.9	Very high	56 Å²	56	25.1 Å²	25.1	36%	0.364	15%	0.153	S	C	.	.			trans	-51	160.2	-177.1	-28.1	34.1	0	0	0	114.9	G106 S107 K109 V349	P104-G106 PolarHBondContact O-N 2.79Å; P104-S107 VanDerWaalsContact O-CB 3.27Å; P104-S107 WeakPolarHBondContact O-CB 3.5Å; P104-S107 PolarHBondContact O-N 3.43Å; P104-S107 PolarHBondContact O-OG 3.34Å; P104-K109 PolarHBondContact O-NZ 2.94Å; P104-V349 WeakPolarHBondContact CD-O 3.42Å
105	T	76.3	Confident	90.9	Very high	24 Å²	24	23.4 Å²	23.4	15%	0.147	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	139.9	172.5	50.2	0	0	0	0	110.7	S107 A317 G476	T105-S107 VanDerWaalsContact C-N 3.3Å; T105-S107 PolarHBondContact O-N 2.94Å; T105-A317 HydrophobicContact CG2-CB 3.82Å; T105-G476 PolarHBondContact OG1-O 3.48Å
106	G	75.8	Confident	91.1	Very high	64 Å²	64	19.1 Å²	19.1	66%	0.66	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.8	-1.3	-176.6	0	0	0	0	0	115.1	P104 G108	P104-G106 PolarHBondContact O-N 2.79Å; G106-G108 PolarHBondContact O-N 3.06Å; G106-G108 VanDerWaalsContact O-N 3.08Å
107	S	82.6	Confident	91.3	Very high	21 Å²	21	14.2 Å²	14.2	15%	0.147	10%	0.102	C	C	.	.	S	Bend	trans	-72.6	3.5	179.8	72.7	0	0	0	0	115	T83 I85 A103 P104 T105 K109	T83-S107 WeakPolarHBondContact CB-O 3.31Å; T83-S107 PolarHBondContact OG1-O 3.46Å; I85-S107 WeakPolarHBondContact CG2-O 3.26Å; A103-S107 VanDerWaalsContact CB-OG 3.25Å; A103-S107 WeakPolarHBondContact CB-OG 3.34Å; P104-S107 VanDerWaalsContact O-CB 3.27Å; P104-S107 WeakPolarHBondContact O-CB 3.5Å; P104-S107 PolarHBondContact O-N 3.43Å; P104-S107 PolarHBondContact O-OG 3.34Å; T105-S107 VanDerWaalsContact C-N 3.3Å; T105-S107 PolarHBondContact O-N 2.94Å; S107-K109 WeakPolarHBondContact OG-CG 3.41Å
108	G	88.2	Confident	91.4	Very high	24 Å²	24	13.1 Å²	13.1	25%	0.247	10%	0.098	C	C	.	.			trans	80.9	24.2	-178.5	0	0	0	0	0	115.6	Q86 G106 T110 A111 A112	Q86-G108 PolarHBondContact NE2-O 3.22Å; G106-G108 PolarHBondContact O-N 3.06Å; G106-G108 VanDerWaalsContact O-N 3.08Å; G108-T110 VanDerWaalsContact C-N 3.26Å; G108-T110 PolarHBondContact O-N 3.12Å; G108-A111 PolarHBondContact O-N 3.09Å; G108-A112 PolarHBondContact O-N 3.02Å
109	K	92.7	Very high	91.3	Very high	20 Å²	20	12.7 Å²	12.7	9%	0.087	10%	0.096	C	C	.	.	H	α-helix	trans	-52.5	-40.1	179.1	-69.3	-171.9	-70.8	-77.2	0	113.6	I85 A103 P104 S107 A112 Y113 F315	I85-K109 HydrophobicContact CG1-CG 4.45Å; A103-K109 HydrophobicContact CB-CD 4.36Å; A103-K109 HydrophobicContact CB-CG 4.24Å; A103-K109 PolarHBondContact O-NZ 2.96Å; P104-K109 PolarHBondContact O-NZ 2.94Å; S107-K109 WeakPolarHBondContact OG-CG 3.41Å; K109-A112 WeakPolarHBondContact O-CA 3.43Å; K109-A112 WeakPolarHBondContact O-CB 3.46Å; K109-A112 PolarHBondContact O-N 3.29Å; K109-A112 VanDerWaalsContact O-N 3.07Å; K109-Y113 WeakPolarHBondContact O-CD1 3.46Å; K109-Y113 WeakPolarHBondContact O-CE1 3.33Å; K109-Y113 PolarHBondContact O-N 2.89Å; K109-F315 HydrophobicContact CB-CD1 4.05Å; K109-F315 HydrophobicContact CD-CB 4.4Å; K109-F315 HydrophobicContact CD-CD1 4.2Å; K109-F315 HydrophobicContact CG-CD1 4.16Å
110	T	94.6	Very high	91.2	Very high	36 Å²	36	13.5 Å²	13.5	22%	0.221	10%	0.1	C	C	.	.	H	α-helix	trans	-59.2	-54	-176.8	-54.5	0	0	0	0	112.1	G108 A112 Y113 L114 I163 E166	G108-T110 VanDerWaalsContact C-N 3.26Å; G108-T110 PolarHBondContact O-N 3.12Å; T110-A112 PolarHBondContact O-N 3.32Å; T110-Y113 VanDerWaalsContact CA-CE1 3.48Å; T110-Y113 PolarHBondContact O-N 3Å; T110-L114 HydrophobicContact CG2-CD1 3.64Å; T110-L114 HydrophobicContact CG2-CG 4.32Å; T110-L114 WeakPolarHBondContact O-CB 3.29Å; T110-L114 VanDerWaalsContact O-CG 3.26Å; T110-L114 WeakPolarHBondContact O-CG 3.43Å; T110-L114 PolarHBondContact O-N 3.37Å; T110-I163 HydrophobicContact CG2-CB 4.49Å; T110-I163 HydrophobicContact CG2-CG1 4.18Å; T110-I163 HydrophobicContact CG2-CG2 4.48Å; T110-E166 HydrophobicContact CG2-CB 3.95Å; T110-E166 HydrophobicContact CG2-CG 3.95Å
111	A	95	Very high	91.1	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.008	10%	0.1	C	C	.	.	H	α-helix	trans	-62.5	-31.4	174	0	0	0	0	0	112.4	Y79 G108 Y113 L114 L115 L170	Y79-A111 HydrophobicContact CE1-CB 3.91Å; G108-A111 PolarHBondContact O-N 3.09Å; A111-Y113 VanDerWaalsContact C-N 3.26Å; A111-Y113 PolarHBondContact O-N 3.46Å; A111-L114 PolarHBondContact O-N 3.06Å; A111-L115 WeakPolarHBondContact O-CB 3.35Å; A111-L115 VanDerWaalsContact O-CG 3.3Å; A111-L115 WeakPolarHBondContact O-CG 3.47Å; A111-L115 PolarHBondContact O-N 3.36Å; A111-L170 HydrophobicContact CB-CD1 4.47Å
112	A	96.6	Very high	90.8	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.2	-29.9	-177.9	0	0	0	0	0	114.1	I85 Q86 S89 G108 K109 T110 F315	I85-A112 HydrophobicContact CG1-CB 4.42Å; I85-A112 HydrophobicContact CG2-CB 4.42Å; Q86-A112 HydrophobicContact CB-CB 4.33Å; Q86-A112 HydrophobicContact CG-CB 3.62Å; S89-A112 VanDerWaalsContact OG-CB 3.27Å; S89-A112 WeakPolarHBondContact OG-CB 3.21Å; S89-A112 PolarHBondContact OG-O 2.97Å; G108-A112 PolarHBondContact O-N 3.02Å; K109-A112 WeakPolarHBondContact O-CA 3.43Å; K109-A112 WeakPolarHBondContact O-CB 3.46Å; K109-A112 PolarHBondContact O-N 3.29Å; K109-A112 VanDerWaalsContact O-N 3.07Å; T110-A112 PolarHBondContact O-N 3.32Å; A112-F315 HydrophobicContact CB-CE1 4.3Å
113	Y	97.1	Very high	90.5	Very high	0 Å²	0	17 Å²	17	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-103.4	-27.7	172	63.4	-108.4	0	0	0	113.8	K109 T110 A111 P116 V117 I152 I163 V253 D255 F315	K109-Y113 WeakPolarHBondContact O-CD1 3.46Å; K109-Y113 WeakPolarHBondContact O-CE1 3.33Å; K109-Y113 PolarHBondContact O-N 2.89Å; T110-Y113 VanDerWaalsContact CA-CE1 3.48Å; T110-Y113 PolarHBondContact O-N 3Å; A111-Y113 VanDerWaalsContact C-N 3.26Å; A111-Y113 PolarHBondContact O-N 3.46Å; Y113-P116 WeakPolarHBondContact O-CD 3.49Å; Y113-P116 WeakPolarHBondContact O-CG 3.27Å; Y113-V117 WeakPolarHBondContact O-CB 3.25Å; Y113-V117 WeakPolarHBondContact O-CG2 3.18Å; Y113-V117 PolarHBondContact O-N 3.35Å; Y113-I152 HydrophobicContact CE2-CD1 4.12Å; Y113-I152 HydrophobicContact CE2-CG2 4.17Å; Y113-I163 HydrophobicContact CE2-CG2 4.27Å; Y113-I163 VanDerWaalsContact OH-CD1 3.27Å; Y113-I163 WeakPolarHBondContact OH-CD1 3.35Å; Y113-I163 VanDerWaalsContact OH-CG1 3.25Å; Y113-I163 WeakPolarHBondContact OH-CG1 3.46Å; Y113-V253 HydrophobicContact CD1-CG1 4.03Å; Y113-V253 HydrophobicContact CD2-CG1 3.78Å; Y113-V253 HydrophobicContact CD2-CG2 4.37Å; Y113-V253 HydrophobicContact CE1-CG1 4.31Å; Y113-V253 HydrophobicContact CE2-CG1 4.11Å; Y113-V253 HydrophobicContact CG-CG1 3.77Å; Y113-D255 HydrophobicContact CE1-CB 4.45Å; Y113-F315 HydrophobicContact CD1-CD1 4.28Å; Y113-F315 AromaticContact CD1-CD2 3.75Å; Y113-F315 HydrophobicContact CD1-CD2 3.75Å; Y113-F315 HydrophobicContact CD1-CE1 4.38Å; Y113-F315 AromaticContact CD1-CE2 3.88Å; Y113-F315 HydrophobicContact CD1-CE2 3.88Å; Y113-F315 AromaticContact CD1-CG 3.97Å; Y113-F315 HydrophobicContact CD1-CG 3.97Å; Y113-F315 HydrophobicContact CD1-CZ 4.2Å; Y113-F315 HydrophobicContact CG-CD2 4.36Å; Y113-F315 HydrophobicContact CG-CE2 4.14Å
114	L	97.1	Very high	90.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.4	-42.7	179.1	-75.9	177.6	0	0	0	111.5	T110 A111 V117 L118 I152 I163 E166 A167 L170	T110-L114 HydrophobicContact CG2-CD1 3.64Å; T110-L114 HydrophobicContact CG2-CG 4.32Å; T110-L114 WeakPolarHBondContact O-CB 3.29Å; T110-L114 VanDerWaalsContact O-CG 3.26Å; T110-L114 WeakPolarHBondContact O-CG 3.43Å; T110-L114 PolarHBondContact O-N 3.37Å; A111-L114 PolarHBondContact O-N 3.06Å; L114-V117 PolarHBondContact O-N 3.12Å; L114-L118 HydrophobicContact CB-CD1 4.27Å; L114-L118 WeakPolarHBondContact O-CB 3.35Å; L114-L118 WeakPolarHBondContact O-CG 3.46Å; L114-L118 PolarHBondContact O-N 3.48Å; L114-I152 HydrophobicContact CD2-CD1 3.6Å; L114-I163 HydrophobicContact CD2-CG2 4.29Å; L114-E166 HydrophobicContact CD1-CB 3.88Å; L114-E166 HydrophobicContact CD1-CG 3.87Å; L114-A167 HydrophobicContact CD1-CB 3.85Å; L114-A167 HydrophobicContact CD2-CB 3.84Å; L114-A167 HydrophobicContact CG-CB 4.48Å; L114-L170 HydrophobicContact CB-CD1 4Å; L114-L170 HydrophobicContact CD1-CD1 4.12Å
115	L	95.2	Very high	90.3	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-55.9	-55.2	-178.4	-74	172.3	0	0	0	113.7	F59 I70 L74 I90 A111 V117 L118 N119 L170	F59-L115 HydrophobicContact CD1-CD1 4.16Å; F59-L115 HydrophobicContact CE1-CD1 3.68Å; I70-L115 HydrophobicContact CG2-CD2 3.49Å; I70-L115 VanDerWaalsContact CG2-CD2 3.49Å; L74-L115 HydrophobicContact CD1-CD1 4.05Å; L74-L115 HydrophobicContact CD1-CD2 3.69Å; L74-L115 HydrophobicContact CD2-CD1 4.14Å; L74-L115 HydrophobicContact CD2-CD2 4Å; L74-L115 HydrophobicContact CG-CD2 3.99Å; I90-L115 HydrophobicContact CD1-CB 4.44Å; I90-L115 HydrophobicContact CD1-CD1 3.71Å; A111-L115 WeakPolarHBondContact O-CB 3.35Å; A111-L115 VanDerWaalsContact O-CG 3.3Å; A111-L115 WeakPolarHBondContact O-CG 3.47Å; A111-L115 PolarHBondContact O-N 3.36Å; L115-V117 VanDerWaalsContact C-N 3.31Å; L115-V117 PolarHBondContact O-N 3.12Å; L115-L118 PolarHBondContact O-N 2.94Å; L115-N119 VanDerWaalsContact O-CB 3.29Å; L115-N119 WeakPolarHBondContact O-CB 3.45Å; L115-N119 PolarHBondContact O-N 3.39Å; L115-L170 HydrophobicContact CD2-CD1 4.41Å; L115-L170 HydrophobicContact CD2-CD2 4.19Å
116	P	95.4	Very high	90	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-63.9	-35.9	177.8	23.4	-33.6	0	0	0	112.6	M93 M94 Y113 Q120	M93-P116 HydrophobicContact CB-CB 3.67Å; M93-P116 HydrophobicContact CB-CG 3.61Å; M93-P116 HydrophobicContact CE-CG 3.83Å; M93-P116 HydrophobicContact CG-CG 4.27Å; M93-P116 HydrophobicContact SD-CG 3.76Å; M94-P116 HydrophobicContact CG-CB 4.07Å; M94-P116 HydrophobicContact SD-CB 3.73Å; Y113-P116 WeakPolarHBondContact O-CD 3.49Å; Y113-P116 WeakPolarHBondContact O-CG 3.27Å; P116-Q120 WeakPolarHBondContact O-CB 3.49Å; P116-Q120 WeakPolarHBondContact O-CG 3.23Å; P116-Q120 PolarHBondContact O-N 2.8Å
117	V	95.4	Very high	89.3	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.9	-47.6	177.8	169.3	0	0	0	0	111.6	M93 Y113 L114 L115 L121 F149 A150 I223 W251 V253	M93-V117 HydrophobicContact CE-CG2 4.12Å; Y113-V117 WeakPolarHBondContact O-CB 3.25Å; Y113-V117 WeakPolarHBondContact O-CG2 3.18Å; Y113-V117 PolarHBondContact O-N 3.35Å; L114-V117 PolarHBondContact O-N 3.12Å; L115-V117 VanDerWaalsContact C-N 3.31Å; L115-V117 PolarHBondContact O-N 3.12Å; V117-L121 WeakPolarHBondContact O-CB 3.02Å; V117-L121 PolarHBondContact O-N 3.29Å; V117-F149 HydrophobicContact CG1-CE1 4.46Å; V117-A150 HydrophobicContact CG1-CB 3.49Å; V117-A150 VanDerWaalsContact CG1-CB 3.49Å; V117-I223 HydrophobicContact CG1-CD1 4.21Å; V117-W251 HydrophobicContact CG2-CB 4.13Å; V117-W251 HydrophobicContact CG2-CD2 4.27Å; V117-W251 HydrophobicContact CG2-CG 3.85Å; V117-V253 HydrophobicContact CG2-CG2 4.29Å
118	L	94.6	Very high	88.2	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66	-41.7	179	-67.9	169	0	0	0	111.1	I70 L114 L115 L121 L122 L170 F171 I180 I223	I70-L118 HydrophobicContact CD1-CB 4.02Å; L114-L118 HydrophobicContact CB-CD1 4.27Å; L114-L118 WeakPolarHBondContact O-CB 3.35Å; L114-L118 WeakPolarHBondContact O-CG 3.46Å; L114-L118 PolarHBondContact O-N 3.48Å; L115-L118 PolarHBondContact O-N 2.94Å; L118-L121 PolarHBondContact O-N 2.91Å; L118-L122 PolarHBondContact O-N 3.48Å; L118-L122 VanDerWaalsContact O-N 3.12Å; L118-L170 HydrophobicContact CD1-CB 3.8Å; L118-L170 HydrophobicContact CD1-CD1 4.34Å; L118-F171 HydrophobicContact CB-CD2 4.05Å; L118-F171 HydrophobicContact CB-CE2 4.27Å; L118-F171 HydrophobicContact CD1-CD2 4.34Å; L118-F171 HydrophobicContact CD2-CB 4.27Å; L118-F171 HydrophobicContact CD2-CD2 3.57Å; L118-F171 HydrophobicContact CD2-CE2 4.07Å; L118-F171 HydrophobicContact CD2-CG 4.06Å; L118-F171 HydrophobicContact CG-CD2 4.19Å; L118-I180 HydrophobicContact CD2-CD1 4.16Å; L118-I223 HydrophobicContact CD2-CD1 3.36Å; L118-I223 HydrophobicContact CG-CD1 4.37Å
119	N	93.4	Very high	86.6	Confident	4 Å²	4	29 Å²	29	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-63.6	-45	178.9	-163.9	67	0	0	0	112.1	Q65 I66 S67 I70 M94 L115 L121 L122 S123	Q65-N119 PolarHBondContact O-ND2 3.37Å; I66-N119 WeakPolarHBondContact CA-OD1 3.5Å; S67-N119 PolarHBondContact N-OD1 3.03Å; I70-N119 HydrophobicContact CD1-CB 4.15Å; M94-N119 WeakPolarHBondContact CE-ND2 3.42Å; M94-N119 HydrophobicContact SD-CB 4.35Å; L115-N119 VanDerWaalsContact O-CB 3.29Å; L115-N119 WeakPolarHBondContact O-CB 3.45Å; L115-N119 PolarHBondContact O-N 3.39Å; N119-L121 VanDerWaalsContact C-N 3.32Å; N119-L121 PolarHBondContact O-N 3.34Å; N119-L122 WeakPolarHBondContact O-CB 3.36Å; N119-L122 PolarHBondContact O-N 2.89Å; N119-S123 PolarHBondContact O-N 3.46Å; N119-S123 VanDerWaalsContact O-N 3.14Å; N119-S123 PolarHBondContact O-OG 2.77Å
120	Q	92.9	Very high	84.3	Confident	16 Å²	16	33.2 Å²	33.2	8%	0.075	20%	0.204	C	C	.	.	H	α-helix	trans	-67.8	-32.4	178.2	-70.5	175.6	12.2	0	0	112.6	M93 M94 H96 P116 L122 S123 A124 F149	M93-Q120 PolarHBondContact O-NE2 2.95Å; M94-Q120 HydrophobicContact SD-CG 4.29Å; H96-Q120 VanDerWaalsContact CE1-CD 3.41Å; H96-Q120 PolarHBondContact CE1-NE2 2.87Å; H96-Q120 PolarHBondContact CE1-OE1 3.01Å; P116-Q120 WeakPolarHBondContact O-CB 3.49Å; P116-Q120 WeakPolarHBondContact O-CG 3.23Å; P116-Q120 PolarHBondContact O-N 2.8Å; Q120-L122 VanDerWaalsContact C-N 3.34Å; Q120-S123 PolarHBondContact O-N 3.31Å; Q120-A124 WeakPolarHBondContact O-CB 3.33Å; Q120-A124 PolarHBondContact O-N 2.94Å; Q120-F149 HydrophobicContact CB-CE1 4.31Å; Q120-F149 HydrophobicContact CB-CZ 3.87Å
121	L	92	Very high	82	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-62.7	-40.6	172.5	177.3	60.5	0	0	0	111.7	V117 L118 N119 A124 N125 F149 C178 K222 I223	V117-L121 WeakPolarHBondContact O-CB 3.02Å; V117-L121 PolarHBondContact O-N 3.29Å; L118-L121 PolarHBondContact O-N 2.91Å; N119-L121 VanDerWaalsContact C-N 3.32Å; N119-L121 PolarHBondContact O-N 3.34Å; L121-A124 PolarHBondContact O-N 2.89Å; L121-N125 PolarHBondContact O-N 2.85Å; L121-N125 VanDerWaalsContact O-N 3.09Å; L121-F149 HydrophobicContact CB-CD1 3.9Å; L121-F149 HydrophobicContact CB-CE1 3.97Å; L121-F149 HydrophobicContact CB-CG 4.42Å; L121-F149 HydrophobicContact CD1-CB 3.73Å; L121-F149 HydrophobicContact CD1-CD1 4.03Å; L121-F149 HydrophobicContact CD1-CD2 4.18Å; L121-F149 HydrophobicContact CD1-CG 3.72Å; L121-F149 HydrophobicContact CG-CD1 4.44Å; L121-C178 HydrophobicContact CD2-CB 4.33Å; L121-C178 WeakPolarHBondContact CD2-SG 3.3Å; L121-K222 HydrophobicContact CD1-CB 3.96Å; L121-K222 HydrophobicContact CD1-CG 4.27Å; L121-K222 HydrophobicContact CD2-CB 3.88Å; L121-I223 HydrophobicContact CD2-CD1 4Å; L121-I223 HydrophobicContact CD2-CG1 3.98Å
122	L	90.1	Very high	79.3	Confident	21 Å²	21	45 Å²	45	11%	0.11	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-49.3	175.1	-69.4	175.5	0	0	0	111.9	I70 L118 N119 Q120 A124 N125 T126 F171 I174 A176	I70-L122 HydrophobicContact CD1-CD1 3.57Å; I70-L122 HydrophobicContact CG1-CD1 3.9Å; L118-L122 PolarHBondContact O-N 3.48Å; L118-L122 VanDerWaalsContact O-N 3.12Å; N119-L122 WeakPolarHBondContact O-CB 3.36Å; N119-L122 PolarHBondContact O-N 2.89Å; Q120-L122 VanDerWaalsContact C-N 3.34Å; L122-A124 VanDerWaalsContact C-N 3.26Å; L122-A124 PolarHBondContact O-N 3.01Å; L122-N125 PolarHBondContact O-N 3.23Å; L122-T126 PolarHBondContact O-N 3.16Å; L122-T126 VanDerWaalsContact O-N 3.14Å; L122-T126 PolarHBondContact O-OG1 3.27Å; L122-F171 HydrophobicContact CD1-CE2 4.14Å; L122-F171 HydrophobicContact CD2-CE2 3.72Å; L122-F171 HydrophobicContact CD2-CZ 3.53Å; L122-F171 HydrophobicContact CG-CE2 3.82Å; L122-F171 HydrophobicContact CG-CZ 4.13Å; L122-I174 HydrophobicContact CD1-CD1 4.19Å; L122-I174 HydrophobicContact CD2-CG2 3.67Å; L122-A176 HydrophobicContact CD2-CB 4.39Å
123	S	86.8	Confident	76.1	Confident	65 Å²	65	53.9 Å²	53.9	46%	0.455	31%	0.307	S	S	.	.	H	α-helix	trans	-60.7	-35.8	178.9	-53.9	0	0	0	0	112.6	N119 Q120 S127	N119-S123 PolarHBondContact O-N 3.46Å; N119-S123 VanDerWaalsContact O-N 3.14Å; N119-S123 PolarHBondContact O-OG 2.77Å; Q120-S123 PolarHBondContact O-N 3.31Å; S123-S127 PolarHBondContact O-N 2.85Å; S123-S127 PolarHBondContact O-OG 2.79Å; S123-S127 VanDerWaalsContact O-OG 3.05Å
124	A	84.7	Confident	72.8	Confident	31 Å²	31	60.4 Å²	60.4	26%	0.256	34%	0.342	S	S	.	.	H	α-helix	trans	-67.2	-43	176.4	0	0	0	0	0	112.2	Q120 L121 L122 T126 S127 E128 F149	Q120-A124 WeakPolarHBondContact O-CB 3.33Å; Q120-A124 PolarHBondContact O-N 2.94Å; L121-A124 PolarHBondContact O-N 2.89Å; L122-A124 VanDerWaalsContact C-N 3.26Å; L122-A124 PolarHBondContact O-N 3.01Å; A124-T126 VanDerWaalsContact C-N 3.34Å; A124-T126 PolarHBondContact O-N 2.9Å; A124-S127 PolarHBondContact O-N 2.85Å; A124-S127 VanDerWaalsContact O-N 3.15Å; A124-E128 PolarHBondContact O-N 2.8Å; A124-F149 HydrophobicContact CB-CE2 4.28Å
125	N	79	Confident	69.6	Low	23 Å²	23	67 Å²	67	12%	0.123	38%	0.378	C	S	.	.	H	α-helix	trans	-65.3	-36.1	178.7	-71	-13.9	0	0	0	112.5	L121 L122 S127 E128 N129	L121-N125 PolarHBondContact O-N 2.85Å; L121-N125 VanDerWaalsContact O-N 3.09Å; L122-N125 PolarHBondContact O-N 3.23Å; N125-S127 PolarHBondContact O-N 2.81Å; N125-E128 PolarHBondContact O-N 2.84Å; N125-N129 PolarHBondContact O-N 3.39Å
126	T	70.1	Confident	66.8	Low	101 Å²	101	74.8 Å²	74.8	62%	0.62	42%	0.417	S	S	*	.	H	α-helix	trans	-62.9	-32.3	174.8	-52.4	0	0	0	0	111.9	L122 A124	L122-T126 PolarHBondContact O-N 3.16Å; L122-T126 VanDerWaalsContact O-N 3.14Å; L122-T126 PolarHBondContact O-OG1 3.27Å; A124-T126 VanDerWaalsContact C-N 3.34Å; A124-T126 PolarHBondContact O-N 2.9Å
127	S	62.7	Low	63.8	Low	79 Å²	79	80.3 Å²	80.3	55%	0.552	45%	0.451	S	S	*	.	H	α-helix	trans	-78.8	-42	179	-50.3	0	0	0	0	111.9	S123 A124 N125 N129 S130	S123-S127 PolarHBondContact O-N 2.85Å; S123-S127 PolarHBondContact O-OG 2.79Å; S123-S127 VanDerWaalsContact O-OG 3.05Å; A124-S127 PolarHBondContact O-N 2.85Å; A124-S127 VanDerWaalsContact O-N 3.15Å; N125-S127 PolarHBondContact O-N 2.81Å; S127-N129 VanDerWaalsContact C-N 3.32Å; S127-N129 PolarHBondContact O-N 2.96Å; S127-S130 PolarHBondContact O-N 2.87Å
128	E	58.8	Low	60.7	Low	73 Å²	73	89.2 Å²	89.2	34%	0.341	49%	0.493	S	S	.	.	H	α-helix	trans	-65.8	-32.7	179.5	-71.9	-171.1	176.4	0	0	112.4	A124 N125 S130 E131 R248	A124-E128 PolarHBondContact O-N 2.8Å; N125-E128 PolarHBondContact O-N 2.84Å; E128-S130 PolarHBondContact O-N 2.8Å; E128-E131 PolarHBondContact O-N 3.11Å; E128-R248 IonicContact OE1-CZ 3.1Å; E128-R248 IonicContact OE1-NH1 3.45Å; E128-R248 PolarHBondContact OE1-NH1 3.23Å; E128-R248 IonicContact OE2-NH1 3.5Å; E128-R248 PolarHBondContact OE2-NH1 3.2Å
129	N	53.6	Low	57.6	Low	136 Å²	136	97.4 Å²	97.4	73%	0.727	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-14	-180	-73.6	-4.7	0	0	0	114	N125 S127	N125-N129 PolarHBondContact O-N 3.39Å; S127-N129 VanDerWaalsContact C-N 3.32Å; S127-N129 PolarHBondContact O-N 2.96Å
130	S	45.6	Very low	54.9	Low	107 Å²	107	103.5 Å²	103.5	75%	0.748	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-11.7	177.7	-69	0	0	0	0	114.1	S127 E128	S127-S130 PolarHBondContact O-N 2.87Å; E128-S130 PolarHBondContact O-N 2.8Å
131	E	45.6	Very low	52.3	Low	175 Å²	175	109.1 Å²	109.1	82%	0.818	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	1.7	-174.9	-70.9	-175.2	170	0	0	114.6	E128	E128-E131 PolarHBondContact O-N 3.11Å
132	V	39.5	Very low	50.5	Low	109 Å²	109	114 Å²	114	66%	0.661	64%	0.644	S	S	*	*			trans	-141.7	78.2	-178.5	-166.7	0	0	0	0	112.3
133	M	28.9	Very low	49.5	Very low	188 Å²	188	118.6 Å²	118.6	93%	0.926	66%	0.663	S	S	*	*			trans	-108.1	86.9	141.8	-97.3	-156.5	154.4	0	0	105.8
134	D	28.6	Very low	49.3	Very low	136 Å²	136	118.4 Å²	118.4	73%	0.727	66%	0.655	S	S	*	*	S	Bend	trans	-171.6	124.5	155.9	-91.4	-25.1	0	0	0	110
135	N	28.5	Very low	49.5	Very low	140 Å²	140	120.6 Å²	120.6	75%	0.749	66%	0.658	S	S	*	*			trans	74.6	70.8	161.1	-51.6	-31.5	0	0	0	118.7
136	I	36.8	Very low	50.1	Low	164 Å²	164	119.5 Å²	119.5	84%	0.841	65%	0.653	S	S	*	*			trans	-97.7	84.6	146	-57.7	176.7	0	0	0	107.3	E138	I136-E138 PolarHBondContact O-N 3.3Å
137	T	32.2	Very low	51.2	Low	117 Å²	117	118.2 Å²	118.2	72%	0.718	64%	0.638	S	S	*	*			trans	-71	114	156.2	36.5	0	0	0	0	107.9	E139	T137-E139 PolarHBondContact O-N 3.09Å
138	E	31.5	Very low	52.7	Low	186 Å²	186	114.4 Å²	114.4	87%	0.869	61%	0.612	S	S	*	*			trans	-65.6	60.4	172.2	-65.9	-172.9	138.6	0	0	112	I136	I136-E138 PolarHBondContact O-N 3.3Å
139	E	29.1	Very low	54.4	Low	173 Å²	173	112 Å²	112	81%	0.808	60%	0.6	S	S	*	*			trans	-154	81.7	-179.9	-108.7	172.1	-149.2	0	0	110.8	T137	T137-E139 PolarHBondContact O-N 3.09Å
140	T	35.6	Very low	56.5	Low	132 Å²	132	105.5 Å²	105.5	81%	0.81	57%	0.566	S	S	*	*			trans	-178.4	138	145.9	39.1	0	0	0	0	108.9	S142	T140-S142 PolarHBondContact O-N 2.97Å
141	S	39.6	Very low	58.9	Low	133 Å²	133	100.4 Å²	100.4	93%	0.93	53%	0.53	S	S	*	.			trans	-67	61.6	178.8	-73.8	0	0	0	0	113.1	K143	S141-K143 PolarHBondContact O-N 3.22Å
142	S	53	Low	61.4	Low	104 Å²	104	92.1 Å²	92.1	73%	0.727	49%	0.491	S	S	*	.			trans	-68.6	126	179.5	70.6	0	0	0	0	110.2	T140 H144	T140-S142 PolarHBondContact O-N 2.97Å; S142-H144 PolarHBondContact O-N 3.24Å
143	K	69.3	Low	64	Low	118 Å²	118	86.9 Å²	86.9	51%	0.513	46%	0.46	S	S	.	.			trans	-62.6	125	-179.5	-66.9	177	-177.9	169	0	109	S141 K145 E240	S141-K143 PolarHBondContact O-N 3.22Å; K143-K145 PolarHBondContact O-N 2.71Å; K143-K145 VanDerWaalsContact O-N 3.16Å; K143-E240 WeakPolarHBondContact CD-O 3.09Å; K143-E240 PolarHBondContact NZ-O 3.01Å; K143-E240 IonicContact NZ-OE2 2.88Å; K143-E240 PolarHBondContact NZ-OE2 3.38Å
144	H	83.8	Confident	67	Low	62 Å²	62	78 Å²	78	29%	0.287	42%	0.416	S	S	.	.			trans	-44	116.7	177.4	176.3	-66	0	0	0	113.5	S142 Y188 K216 L217	S142-H144 PolarHBondContact O-N 3.24Å; H144-Y188 PolarHBondContact CE1-OH 3.41Å; H144-K216 HydrophobicContact CB-CD 4.1Å; H144-L217 PolarHBondContact CE1-O 3.47Å; H144-L217 PolarHBondContact NE2-O 2.9Å
145	K	88.1	Confident	69.7	Low	76 Å²	76	72.1 Å²	72.1	33%	0.33	39%	0.385	S	S	.	.			trans	-131.2	150.7	174.6	-74.8	-178.7	174.8	-173.3	0	111.5	K143 F147 P243	K143-K145 PolarHBondContact O-N 2.71Å; K143-K145 VanDerWaalsContact O-N 3.16Å; K145-F147 HydrophobicContact CB-CE2 4.12Å; K145-F147 HydrophobicContact CB-CZ 4.3Å; K145-P243 CarbonylContact C-O 3.55Å; K145-P243 WeakPolarHBondContact CA-O 3.48Å
146	I	92.3	Very high	72.4	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-110.2	146.8	170.8	66.1	166.3	0	0	0	110.5	P148 L217 P218 T221 L224 P243 I244 D245	I146-P148 WeakPolarHBondContact O-CD 3.46Å; I146-L217 HydrophobicContact CD1-CD1 3.94Å; I146-L217 HydrophobicContact CG2-CB 4.39Å; I146-P218 WeakPolarHBondContact CG2-O 3.34Å; I146-T221 HydrophobicContact CD1-CG2 3.96Å; I146-L224 HydrophobicContact CD1-CD1 4.26Å; I146-L224 HydrophobicContact CD1-CD2 4.33Å; I146-P243 WeakPolarHBondContact CG1-O 3.41Å; I146-P243 PolarHBondContact N-O 3.14Å; I146-I244 HydrophobicContact CD1-CG1 4.05Å; I146-I244 HydrophobicContact CG1-CB 4.32Å; I146-I244 HydrophobicContact CG1-CG1 3.92Å; I146-I244 HydrophobicContact CG1-CG2 4.36Å; I146-D245 PolarHBondContact O-N 3.39Å
147	F	92.6	Very high	74.7	Confident	74 Å²	74	59.7 Å²	59.7	33%	0.325	32%	0.32	S	S	.	.			trans	-122.5	76.1	-178.2	-61.3	-93.7	0	0	0	110.1	K145 F149 D245 R248	K145-F147 HydrophobicContact CB-CE2 4.12Å; K145-F147 HydrophobicContact CB-CZ 4.3Å; F147-F149 PolarHBondContact O-N 3.39Å; F147-D245 HydrophobicContact CD1-CB 3.6Å; F147-D245 HydrophobicContact CE1-CB 3.5Å; F147-D245 VanDerWaalsContact CE1-CB 3.5Å; F147-D245 VanDerWaalsContact CE1-CG 3.47Å; F147-D245 HydrophobicContact CG-CB 4.41Å; F147-D245 HydrophobicContact CZ-CB 4.23Å; F147-R248 HydrophobicContact CB-CB 4.48Å; F147-R248 HydrophobicContact CB-CG 4.24Å
148	P	94.4	Very high	77.1	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.293	C	S	.	.			trans	-64.3	131.7	-178	25.8	-36.2	0	0	0	112.2	I146 V151 K222 L224 I244 D245 L246 R248 L249	I146-P148 WeakPolarHBondContact O-CD 3.46Å; P148-V151 HydrophobicContact CB-CG2 4.29Å; P148-V151 HydrophobicContact CG-CG2 4.15Å; P148-K222 CarbonylContact C-O 3.53Å; P148-K222 WeakPolarHBondContact CA-O 3.13Å; P148-L224 HydrophobicContact CB-CB 4.09Å; P148-I244 HydrophobicContact CG-CG2 4.2Å; P148-D245 WeakPolarHBondContact CD-O 3.27Å; P148-L246 HydrophobicContact CG-CD2 3.65Å; P148-R248 CarbonylContact O-C 3.59Å; P148-L249 WeakPolarHBondContact O-CA 3.27Å
149	F	94.3	Very high	79.8	Confident	21 Å²	21	47.1 Å²	47.1	9%	0.092	25%	0.253	C	S	.	.	S	Bend	trans	-70.6	-37.5	166	175.7	-95.8	0	0	0	111.7	V117 Q120 L121 A124 F147 K222 S250 W251	V117-F149 HydrophobicContact CG1-CE1 4.46Å; Q120-F149 HydrophobicContact CB-CE1 4.31Å; Q120-F149 HydrophobicContact CB-CZ 3.87Å; L121-F149 HydrophobicContact CB-CD1 3.9Å; L121-F149 HydrophobicContact CB-CE1 3.97Å; L121-F149 HydrophobicContact CB-CG 4.42Å; L121-F149 HydrophobicContact CD1-CB 3.73Å; L121-F149 HydrophobicContact CD1-CD1 4.03Å; L121-F149 HydrophobicContact CD1-CD2 4.18Å; L121-F149 HydrophobicContact CD1-CG 3.72Å; L121-F149 HydrophobicContact CG-CD1 4.44Å; A124-F149 HydrophobicContact CB-CE2 4.28Å; F147-F149 PolarHBondContact O-N 3.39Å; F149-K222 HydrophobicContact CB-CB 4.5Å; F149-K222 WeakPolarHBondContact CB-O 3.22Å; F149-K222 PolarHBondContact N-O 3.48Å; F149-S250 VanDerWaalsContact CE2-CB 3.48Å; F149-S250 VanDerWaalsContact CE2-OG 3.23Å; F149-S250 WeakPolarHBondContact CE2-OG 3.32Å; F149-S250 PolarHBondContact O-N 2.95Å; F149-W251 PolarHBondContact O-N 2.9Å
150	A	96.5	Very high	82.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	139.9	178.1	0	0	0	0	0	112.2	V117 K222 I223 L224 W251	V117-A150 HydrophobicContact CG1-CB 3.49Å; V117-A150 VanDerWaalsContact CG1-CB 3.49Å; A150-K222 PolarHBondContact N-O 2.99Å; A150-K222 VanDerWaalsContact N-O 3.13Å; A150-I223 HydrophobicContact CB-CG1 4.41Å; A150-I223 WeakPolarHBondContact O-CA 3.36Å; A150-L224 PolarHBondContact O-N 3.45Å; A150-W251 CarbonylContact C-O 3.57Å; A150-W251 VanDerWaalsContact CA-O 3.32Å; A150-W251 WeakPolarHBondContact CA-O 3.43Å; A150-W251 HydrophobicContact CB-CB 4.03Å
151	V	96.9	Very high	85.3	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.9	170.4	172.9	0	0	0	0	108.6	P148 L153 L224 L231 L246 L249 W251 L252 V253	P148-V151 HydrophobicContact CB-CG2 4.29Å; P148-V151 HydrophobicContact CG-CG2 4.15Å; V151-L153 HydrophobicContact CG1-CD2 3.83Å; V151-L153 HydrophobicContact CG1-CG 4.24Å; V151-L224 CarbonylContact C-O 3.42Å; V151-L224 VanDerWaalsContact CA-O 3.3Å; V151-L224 WeakPolarHBondContact CA-O 3.38Å; V151-L224 HydrophobicContact CG2-CB 4.36Å; V151-L231 HydrophobicContact CG1-CD2 3.66Å; V151-L246 HydrophobicContact CG2-CD2 4.04Å; V151-L249 HydrophobicContact CB-CD1 3.99Å; V151-L249 HydrophobicContact CG2-CD1 3.63Å; V151-W251 PolarHBondContact N-O 3.34Å; V151-L252 HydrophobicContact CB-CD1 4.04Å; V151-L252 HydrophobicContact CG1-CD1 3.88Å; V151-L252 WeakPolarHBondContact O-CA 3.29Å; V151-V253 PolarHBondContact O-N 3.23Å
152	I	97.4	Very high	87.6	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	115.6	176.8	-53.1	166.6	0	0	0	108.6	Y113 L114 I163 I223 L224 I225 S226 V253	Y113-I152 HydrophobicContact CE2-CD1 4.12Å; Y113-I152 HydrophobicContact CE2-CG2 4.17Å; L114-I152 HydrophobicContact CD2-CD1 3.6Å; I152-I163 HydrophobicContact CD1-CG2 4.06Å; I152-I163 HydrophobicContact CG2-CD1 4.09Å; I152-I163 HydrophobicContact CG2-CG2 4.12Å; I152-I223 HydrophobicContact CD1-CG2 3.97Å; I152-L224 PolarHBondContact N-O 3.45Å; I152-I225 HydrophobicContact CB-CG1 4.12Å; I152-I225 HydrophobicContact CD1-CG1 4.08Å; I152-I225 CarbonylContact O-C 3.45Å; I152-I225 VanDerWaalsContact O-CA 3.3Å; I152-I225 WeakPolarHBondContact O-CA 3.45Å; I152-S226 PolarHBondContact O-N 3.26Å; I152-V253 CarbonylContact C-O 3.57Å; I152-V253 WeakPolarHBondContact CA-O 3.45Å; I152-V253 HydrophobicContact CB-CB 4.38Å; I152-V253 HydrophobicContact CG1-CB 4.06Å; I152-V253 HydrophobicContact CG1-CG2 4.35Å; I152-V253 HydrophobicContact CG2-CB 4.14Å; I152-V253 HydrophobicContact CG2-CG1 4.22Å
153	L	95.1	Very high	89.6	Confident	0 Å²	0	27 Å²	27	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	133	177.8	-57.9	-178.4	0	0	0	110.6	V151 S226 L231 L252 V253 V254 D255 M260 V290 I293	V151-L153 HydrophobicContact CG1-CD2 3.83Å; V151-L153 HydrophobicContact CG1-CG 4.24Å; L153-S226 WeakPolarHBondContact CA-O 3.49Å; L153-L231 HydrophobicContact CD2-CD2 3.85Å; L153-L252 HydrophobicContact CD1-CD1 4.01Å; L153-L252 HydrophobicContact CG-CD1 4.11Å; L153-V253 PolarHBondContact N-O 3.16Å; L153-V254 HydrophobicContact CD1-CG2 4.35Å; L153-D255 PolarHBondContact O-N 3.34Å; L153-M260 HydrophobicContact CB-CE 3.65Å; L153-M260 HydrophobicContact CB-SD 4Å; L153-M260 HydrophobicContact CD1-CE 3.77Å; L153-M260 HydrophobicContact CG-CE 4.36Å; L153-V290 HydrophobicContact CD1-CG1 4.38Å; L153-I293 HydrophobicContact CD1-CD1 3.81Å; L153-I293 HydrophobicContact CD2-CD1 4.21Å
154	A	91.6	Very high	90.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.107	C	C	.	.			trans	-133	146.2	172.8	0	0	0	0	0	110.7	T156 L159 M160 I163 S226 T227 P228	A154-T156 PolarHBondContact O-N 3.22Å; A154-L159 HydrophobicContact CB-CB 4.04Å; A154-L159 HydrophobicContact CB-CD2 3.95Å; A154-L159 HydrophobicContact CB-CG 3.82Å; A154-M160 HydrophobicContact CB-CG 3.88Å; A154-I163 HydrophobicContact CB-CD1 3.96Å; A154-S226 PolarHBondContact N-O 3.49Å; A154-T227 WeakPolarHBondContact O-CA 3.39Å; A154-P228 WeakPolarHBondContact O-CD 3.17Å
155	P	85.4	Confident	91.2	Very high	13 Å²	13	23.6 Å²	23.6	8%	0.084	12%	0.115	C	C	.	.	S	Bend	trans	-67.6	-29	-177.6	24.5	-37.5	0	0	0	114.7	L159 D255 E256 M260	P155-L159 HydrophobicContact CG-CD2 4.26Å; P155-D255 WeakPolarHBondContact CD-O 3.33Å; P155-E256 HydrophobicContact CG-CB 3.72Å; P155-E256 HydrophobicContact CG-CG 4.35Å; P155-E256 WeakPolarHBondContact CG-OE2 3.48Å; P155-M260 HydrophobicContact CB-CG 4.49Å
156	T	84.9	Confident	91.5	Very high	10 Å²	10	21 Å²	21	6%	0.061	10%	0.104	C	C	.	.	S	Bend	trans	-124.3	153.9	-175.1	70.4	0	0	0	0	111.4	A154 E158 L159 M160 L446 R449	A154-T156 PolarHBondContact O-N 3.22Å; T156-E158 VanDerWaalsContact C-N 3.27Å; T156-E158 PolarHBondContact O-N 3.25Å; T156-L159 PolarHBondContact O-N 3.07Å; T156-L159 WeakPolarHBondContact OG1-CB 3.42Å; T156-L159 PolarHBondContact OG1-N 3.02Å; T156-M160 WeakPolarHBondContact O-CG 3.49Å; T156-M160 PolarHBondContact O-N 2.85Å; T156-M160 VanDerWaalsContact O-N 3.16Å; T156-L446 VanDerWaalsContact CG2-O 3.31Å; T156-L446 WeakPolarHBondContact CG2-O 3.3Å; T156-R449 HydrophobicContact CG2-CB 4.28Å; T156-R449 PolarHBondContact OG1-O 2.79Å
157	Q	84.8	Confident	91.6	Very high	34 Å²	34	21 Å²	21	16%	0.159	10%	0.104	C	C	.	.	H	α-helix	trans	-66.1	-35.7	176.3	-69.5	-74	-32.9	0	0	110.5	L159 M160 H161 T227	Q157-L159 PolarHBondContact O-N 3.34Å; Q157-M160 WeakPolarHBondContact O-CB 3.35Å; Q157-M160 PolarHBondContact O-N 2.53Å; Q157-H161 PolarHBondContact O-N 3.47Å; Q157-H161 PolarHBondContact O-ND1 3.28Å; Q157-T227 HydrophobicContact CG-CG2 4.39Å; Q157-T227 PolarHBondContact NE2-OG1 2.89Å
158	E	83.4	Confident	91.7	Very high	30 Å²	30	21.3 Å²	21.3	14%	0.14	11%	0.108	C	C	.	.	H	α-helix	trans	-59.3	-47.7	176.9	-67.1	84.6	166.9	0	0	111.5	T156 M160 H161 Q162 R426 G450 I451	T156-E158 VanDerWaalsContact C-N 3.27Å; T156-E158 PolarHBondContact O-N 3.25Å; E158-M160 VanDerWaalsContact C-N 3.33Å; E158-M160 PolarHBondContact O-N 3.06Å; E158-H161 PolarHBondContact O-N 3.41Å; E158-Q162 WeakPolarHBondContact O-CG 3.44Å; E158-Q162 PolarHBondContact O-N 3.32Å; E158-Q162 VanDerWaalsContact O-N 3.08Å; E158-R426 WeakPolarHBondContact OE1-CD 3.25Å; E158-R426 IonicContact OE1-CZ 3.45Å; E158-R426 IonicContact OE1-NE 3.69Å; E158-R426 PolarHBondContact OE1-NE 3.32Å; E158-R426 IonicContact OE1-NH1 2.8Å; E158-R426 PolarHBondContact OE1-NH1 3.29Å; E158-R426 IonicContact OE1-NH2 3.55Å; E158-R426 IonicContact OE2-NH1 3.55Å; E158-G450 CarbonylContact C-O 3.59Å; E158-G450 WeakPolarHBondContact CB-O 3.49Å; E158-I451 HydrophobicContact CB-CG1 4.02Å; E158-I451 HydrophobicContact CG-CD1 4.3Å; E158-I451 HydrophobicContact CG-CG1 3.98Å
159	L	87.5	Confident	91.7	Very high	8 Å²	8	27.4 Å²	27.4	4%	0.042	13%	0.131	C	C	.	.	H	α-helix	trans	-63.1	-41	175.8	-175.1	51.1	0	0	0	111.2	A154 P155 T156 Q157 H161 Q162 I163 E256	A154-L159 HydrophobicContact CB-CB 4.04Å; A154-L159 HydrophobicContact CB-CD2 3.95Å; A154-L159 HydrophobicContact CB-CG 3.82Å; P155-L159 HydrophobicContact CG-CD2 4.26Å; T156-L159 PolarHBondContact O-N 3.07Å; T156-L159 WeakPolarHBondContact OG1-CB 3.42Å; T156-L159 PolarHBondContact OG1-N 3.02Å; Q157-L159 PolarHBondContact O-N 3.34Å; L159-H161 VanDerWaalsContact C-N 3.27Å; L159-H161 PolarHBondContact O-N 2.82Å; L159-Q162 PolarHBondContact O-N 3.01Å; L159-Q162 VanDerWaalsContact O-N 3.16Å; L159-I163 HydrophobicContact CD1-CD1 4.15Å; L159-I163 HydrophobicContact CD1-CG1 4.12Å; L159-I163 HydrophobicContact CG-CD1 3.9Å; L159-I163 HydrophobicContact CG-CG1 4.35Å; L159-I163 VanDerWaalsContact O-CG1 3.27Å; L159-I163 WeakPolarHBondContact O-CG1 3.45Å; L159-I163 PolarHBondContact O-N 3.39Å; L159-E256 HydrophobicContact CD2-CB 4.45Å; L159-E256 HydrophobicContact CD2-CG 3.8Å
160	M	91.7	Very high	91.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-55.9	-42	175.3	-68	173	48	0	0	112.5	A154 T156 Q157 E158 I163 R164 A182 I225 S226 T227	A154-M160 HydrophobicContact CB-CG 3.88Å; T156-M160 WeakPolarHBondContact O-CG 3.49Å; T156-M160 PolarHBondContact O-N 2.85Å; T156-M160 VanDerWaalsContact O-N 3.16Å; Q157-M160 WeakPolarHBondContact O-CB 3.35Å; Q157-M160 PolarHBondContact O-N 2.53Å; E158-M160 VanDerWaalsContact C-N 3.33Å; E158-M160 PolarHBondContact O-N 3.06Å; M160-I163 PolarHBondContact O-N 3.48Å; M160-R164 WeakPolarHBondContact O-CB 3.45Å; M160-R164 PolarHBondContact O-N 2.93Å; M160-A182 HydrophobicContact CE-CB 4.09Å; M160-I225 HydrophobicContact CB-CG2 3.74Å; M160-I225 VanDerWaalsContact CE-O 3.23Å; M160-I225 WeakPolarHBondContact CE-O 3.44Å; M160-I225 HydrophobicContact CG-CG2 3.9Å; M160-S226 VanDerWaalsContact CE-CA 3.47Å; M160-T227 HydrophobicContact CG-CG2 4.48Å; M160-T227 HydrophobicContact SD-CG2 3.5Å; M160-T227 VanDerWaalsContact SD-CG2 3.5Å; M160-T227 PolarHBondContact SD-N 2.81Å
161	H	88.8	Confident	91.4	Very high	59 Å²	59	27.1 Å²	27.1	27%	0.273	13%	0.13	S	C	.	.	H	α-helix	trans	-67.2	-40.9	178.3	-74.7	75.6	0	0	0	111.8	Q157 E158 L159 I163 R164 S165 H184 E423	Q157-H161 PolarHBondContact O-N 3.47Å; Q157-H161 PolarHBondContact O-ND1 3.28Å; E158-H161 PolarHBondContact O-N 3.41Å; L159-H161 VanDerWaalsContact C-N 3.27Å; L159-H161 PolarHBondContact O-N 2.82Å; H161-I163 VanDerWaalsContact C-N 3.35Å; H161-I163 PolarHBondContact O-N 3.22Å; H161-R164 PolarHBondContact O-N 3.49Å; H161-S165 WeakPolarHBondContact O-CB 3.38Å; H161-S165 PolarHBondContact O-N 3.28Å; H161-S165 PolarHBondContact O-OG 2.69Å; H161-H184 AromaticContact CE1-CE1 3.06Å; H161-H184 PolarHBondContact CE1-CE1 3.3Å; H161-H184 AromaticContact CE1-NE2 3.55Å; H161-H184 AromaticContact NE2-CE1 3.03Å; H161-H184 PolarHBondContact NE2-CE1 2.99Å; H161-H184 AromaticContact NE2-NE2 3.26Å; H161-H184 PolarHBondContact NE2-NE2 2.88Å; H161-E423 IonicContact CE1-OE1 2.91Å; H161-E423 PolarHBondContact CE1-OE1 3.33Å; H161-E423 IonicContact ND1-OE1 3.05Å; H161-E423 IonicContact NE2-OE1 3.97Å; H161-E423 PolarHBondContact NE2-OE1 3.35Å
162	Q	88.4	Confident	91	Very high	61 Å²	61	30.5 Å²	30.5	29%	0.285	15%	0.154	S	C	.	.	H	α-helix	trans	-59.9	-46.9	175.7	-68.6	-172.9	-14.1	0	0	111.7	E158 L159 R164 S165 E166 G450 D452	E158-Q162 WeakPolarHBondContact O-CG 3.44Å; E158-Q162 PolarHBondContact O-N 3.32Å; E158-Q162 VanDerWaalsContact O-N 3.08Å; L159-Q162 PolarHBondContact O-N 3.01Å; L159-Q162 VanDerWaalsContact O-N 3.16Å; Q162-R164 VanDerWaalsContact C-N 3.32Å; Q162-R164 PolarHBondContact O-N 3Å; Q162-S165 PolarHBondContact O-N 3.25Å; Q162-E166 WeakPolarHBondContact O-CB 3.49Å; Q162-E166 PolarHBondContact O-N 3.42Å; Q162-G450 PolarHBondContact NE2-O 2.93Å; Q162-G450 PolarHBondContact OE1-O 2.92Å; Q162-G450 VanDerWaalsContact OE1-O 3.11Å; Q162-D452 VanDerWaalsContact NE2-CB 3.33Å
163	I	94.4	Very high	90.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.3	-43.7	176.9	-62.2	170.3	0	0	0	110.2	T110 Y113 L114 I152 A154 L159 M160 H161 E166 A167 I225 D255	T110-I163 HydrophobicContact CG2-CB 4.49Å; T110-I163 HydrophobicContact CG2-CG1 4.18Å; T110-I163 HydrophobicContact CG2-CG2 4.48Å; Y113-I163 HydrophobicContact CE2-CG2 4.27Å; Y113-I163 VanDerWaalsContact OH-CD1 3.27Å; Y113-I163 WeakPolarHBondContact OH-CD1 3.35Å; Y113-I163 VanDerWaalsContact OH-CG1 3.25Å; Y113-I163 WeakPolarHBondContact OH-CG1 3.46Å; L114-I163 HydrophobicContact CD2-CG2 4.29Å; I152-I163 HydrophobicContact CD1-CG2 4.06Å; I152-I163 HydrophobicContact CG2-CD1 4.09Å; I152-I163 HydrophobicContact CG2-CG2 4.12Å; A154-I163 HydrophobicContact CB-CD1 3.96Å; L159-I163 HydrophobicContact CD1-CD1 4.15Å; L159-I163 HydrophobicContact CD1-CG1 4.12Å; L159-I163 HydrophobicContact CG-CD1 3.9Å; L159-I163 HydrophobicContact CG-CG1 4.35Å; L159-I163 VanDerWaalsContact O-CG1 3.27Å; L159-I163 WeakPolarHBondContact O-CG1 3.45Å; L159-I163 PolarHBondContact O-N 3.39Å; M160-I163 PolarHBondContact O-N 3.48Å; H161-I163 VanDerWaalsContact C-N 3.35Å; H161-I163 PolarHBondContact O-N 3.22Å; I163-E166 PolarHBondContact O-N 2.95Å; I163-A167 WeakPolarHBondContact O-CB 3.12Å; I163-A167 PolarHBondContact O-N 3.01Å; I163-I225 HydrophobicContact CB-CD1 4.34Å; I163-I225 HydrophobicContact CB-CG2 4.39Å; I163-I225 HydrophobicContact CG2-CD1 3.81Å; I163-I225 HydrophobicContact CG2-CG1 4.21Å; I163-I225 HydrophobicContact CG2-CG2 4.4Å; I163-D255 HydrophobicContact CD1-CB 4.24Å
164	R	95.1	Very high	89.9	Confident	43 Å²	43	35 Å²	35	16%	0.162	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-48.2	179.2	-179.6	177.3	171.9	151.2	12.2	111.7	M160 H161 Q162 E166 A167 I168 Y179 I180 A182 I225	M160-R164 WeakPolarHBondContact O-CB 3.45Å; M160-R164 PolarHBondContact O-N 2.93Å; H161-R164 PolarHBondContact O-N 3.49Å; Q162-R164 VanDerWaalsContact C-N 3.32Å; Q162-R164 PolarHBondContact O-N 3Å; R164-E166 VanDerWaalsContact C-N 3.31Å; R164-E166 PolarHBondContact O-N 3.22Å; R164-A167 PolarHBondContact O-N 3.4Å; R164-I168 HydrophobicContact CG-CD1 3.8Å; R164-I168 HydrophobicContact CG-CG1 4.38Å; R164-I168 WeakPolarHBondContact O-CG1 3.23Å; R164-I168 PolarHBondContact O-N 2.9Å; R164-Y179 PolarHBondContact NH2-OH 2.85Å; R164-I180 HydrophobicContact CG-CG2 4.38Å; R164-I180 PolarHBondContact NE-O 3.34Å; R164-I180 PolarHBondContact NH2-O 2.76Å; R164-I180 VanDerWaalsContact NH2-O 3.09Å; R164-A182 HydrophobicContact CB-CB 4.48Å; R164-I225 HydrophobicContact CB-CD1 3.59Å; R164-I225 HydrophobicContact CG-CD1 4.27Å
165	S	92.7	Very high	88.8	Confident	66 Å²	66	44.7 Å²	44.7	46%	0.462	24%	0.241	S	C	.	.	H	α-helix	trans	-61.3	-40.4	178.2	-67.9	0	0	0	0	111.5	H161 Q162 R169	H161-S165 WeakPolarHBondContact O-CB 3.38Å; H161-S165 PolarHBondContact O-N 3.28Å; H161-S165 PolarHBondContact O-OG 2.69Å; Q162-S165 PolarHBondContact O-N 3.25Å; S165-R169 WeakPolarHBondContact O-CB 3.36Å; S165-R169 VanDerWaalsContact O-CG 3.29Å; S165-R169 WeakPolarHBondContact O-CG 3.42Å; S165-R169 PolarHBondContact O-N 3.08Å; S165-R169 VanDerWaalsContact O-N 3.08Å
166	E	93.1	Very high	88	Confident	22 Å²	22	45.4 Å²	45.4	10%	0.103	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-46.9	174.3	-165.2	63.8	-157.3	0	0	111.8	Y79 T110 L114 Q162 I163 R164 I168 R169 L170	Y79-E166 PolarHBondContact OH-OE1 3.26Å; T110-E166 HydrophobicContact CG2-CB 3.95Å; T110-E166 HydrophobicContact CG2-CG 3.95Å; L114-E166 HydrophobicContact CD1-CB 3.88Å; L114-E166 HydrophobicContact CD1-CG 3.87Å; Q162-E166 WeakPolarHBondContact O-CB 3.49Å; Q162-E166 PolarHBondContact O-N 3.42Å; I163-E166 PolarHBondContact O-N 2.95Å; R164-E166 VanDerWaalsContact C-N 3.31Å; R164-E166 PolarHBondContact O-N 3.22Å; E166-I168 PolarHBondContact O-N 3.25Å; E166-R169 PolarHBondContact O-N 3.34Å; E166-R169 IonicContact OE2-CZ 3.9Å; E166-R169 IonicContact OE2-NE 3.46Å; E166-R169 IonicContact OE2-NH2 2.58Å; E166-R169 PolarHBondContact OE2-NH2 3.44Å; E166-L170 HydrophobicContact CG-CD1 4.11Å; E166-L170 WeakPolarHBondContact O-CG 3.49Å; E166-L170 PolarHBondContact O-N 3Å
167	A	95.3	Very high	87.6	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.5	-41.9	-179.7	0	0	0	0	0	112.3	L114 I163 R164 R169 L170 F171 I180	L114-A167 HydrophobicContact CD1-CB 3.85Å; L114-A167 HydrophobicContact CD2-CB 3.84Å; L114-A167 HydrophobicContact CG-CB 4.48Å; I163-A167 WeakPolarHBondContact O-CB 3.12Å; I163-A167 PolarHBondContact O-N 3.01Å; R164-A167 PolarHBondContact O-N 3.4Å; A167-R169 VanDerWaalsContact C-N 3.35Å; A167-L170 PolarHBondContact O-N 3.43Å; A167-F171 VanDerWaalsContact O-CB 3.25Å; A167-F171 WeakPolarHBondContact O-CB 3.14Å; A167-F171 PolarHBondContact O-N 3.48Å; A167-I180 HydrophobicContact CB-CD1 3.94Å; A167-I180 HydrophobicContact CB-CG2 4.03Å
168	I	94.3	Very high	87.7	Confident	79 Å²	79	51 Å²	51	41%	0.405	28%	0.28	S	S	.	.	H	α-helix	trans	-62.7	-42.4	175.3	-70.7	171.2	0	0	0	111	R164 E166 F171 S172 I180	R164-I168 HydrophobicContact CG-CD1 3.8Å; R164-I168 HydrophobicContact CG-CG1 4.38Å; R164-I168 WeakPolarHBondContact O-CG1 3.23Å; R164-I168 PolarHBondContact O-N 2.9Å; E166-I168 PolarHBondContact O-N 3.25Å; I168-F171 CarbonylContact O-C 3.57Å; I168-F171 PolarHBondContact O-N 3.47Å; I168-S172 PolarHBondContact O-N 3.01Å; I168-I180 HydrophobicContact CG1-CB 4.37Å
169	R	93.4	Very high	88.1	Confident	128 Å²	128	53.6 Å²	53.6	48%	0.483	29%	0.289	S	S	.	.	H	α-helix	trans	-64	-46.5	178.3	-77.2	-171.1	-62.2	176.5	-1	112.1	L77 S165 E166 A167 F171 S172	L77-R169 HydrophobicContact CD1-CB 3.82Å; L77-R169 HydrophobicContact CD2-CB 3.83Å; L77-R169 HydrophobicContact CD2-CG 4.21Å; L77-R169 HydrophobicContact CG-CB 4.47Å; S165-R169 WeakPolarHBondContact O-CB 3.36Å; S165-R169 VanDerWaalsContact O-CG 3.29Å; S165-R169 WeakPolarHBondContact O-CG 3.42Å; S165-R169 PolarHBondContact O-N 3.08Å; S165-R169 VanDerWaalsContact O-N 3.08Å; E166-R169 PolarHBondContact O-N 3.34Å; E166-R169 IonicContact OE2-CZ 3.9Å; E166-R169 IonicContact OE2-NE 3.46Å; E166-R169 IonicContact OE2-NH2 2.58Å; E166-R169 PolarHBondContact OE2-NH2 3.44Å; A167-R169 VanDerWaalsContact C-N 3.35Å; R169-F171 PolarHBondContact O-N 3Å; R169-S172 WeakPolarHBondContact O-CB 3.31Å; R169-S172 PolarHBondContact O-N 3.18Å
170	L	92.8	Very high	88.4	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-25.8	177.4	-71	171.1	0	0	0	112.8	N73 L74 L77 Y79 A111 L114 L115 L118 E166 A167	N73-L170 WeakPolarHBondContact CB-O 3.37Å; N73-L170 PolarHBondContact ND2-O 3.38Å; L74-L170 HydrophobicContact CD2-CD2 3.49Å; L74-L170 VanDerWaalsContact CD2-CD2 3.49Å; L74-L170 HydrophobicContact CG-CD2 4.05Å; L77-L170 HydrophobicContact CD1-CD2 3.82Å; L77-L170 HydrophobicContact CD1-CG 4.24Å; Y79-L170 HydrophobicContact CE2-CD2 4.31Å; A111-L170 HydrophobicContact CB-CD1 4.47Å; L114-L170 HydrophobicContact CB-CD1 4Å; L114-L170 HydrophobicContact CD1-CD1 4.12Å; L115-L170 HydrophobicContact CD2-CD1 4.41Å; L115-L170 HydrophobicContact CD2-CD2 4.19Å; L118-L170 HydrophobicContact CD1-CB 3.8Å; L118-L170 HydrophobicContact CD1-CD1 4.34Å; E166-L170 HydrophobicContact CG-CD1 4.11Å; E166-L170 WeakPolarHBondContact O-CG 3.49Å; E166-L170 PolarHBondContact O-N 3Å; A167-L170 PolarHBondContact O-N 3.43Å
171	F	91.9	Very high	88.6	Confident	16 Å²	16	53.7 Å²	53.7	7%	0.07	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	12.8	-177.3	-148.3	-104.8	0	0	0	113.5	L118 L122 A167 I168 R169 I174 A176 C178 I180	L118-F171 HydrophobicContact CB-CD2 4.05Å; L118-F171 HydrophobicContact CB-CE2 4.27Å; L118-F171 HydrophobicContact CD1-CD2 4.34Å; L118-F171 HydrophobicContact CD2-CB 4.27Å; L118-F171 HydrophobicContact CD2-CD2 3.57Å; L118-F171 HydrophobicContact CD2-CE2 4.07Å; L118-F171 HydrophobicContact CD2-CG 4.06Å; L118-F171 HydrophobicContact CG-CD2 4.19Å; L122-F171 HydrophobicContact CD1-CE2 4.14Å; L122-F171 HydrophobicContact CD2-CE2 3.72Å; L122-F171 HydrophobicContact CD2-CZ 3.53Å; L122-F171 HydrophobicContact CG-CE2 3.82Å; L122-F171 HydrophobicContact CG-CZ 4.13Å; A167-F171 VanDerWaalsContact O-CB 3.25Å; A167-F171 WeakPolarHBondContact O-CB 3.14Å; A167-F171 PolarHBondContact O-N 3.48Å; I168-F171 CarbonylContact O-C 3.57Å; I168-F171 PolarHBondContact O-N 3.47Å; R169-F171 PolarHBondContact O-N 3Å; F171-I174 HydrophobicContact CD1-CB 4.06Å; F171-I174 HydrophobicContact CD1-CD1 4.5Å; F171-I174 HydrophobicContact CD1-CG2 4.33Å; F171-I174 HydrophobicContact CD2-CD1 3.67Å; F171-I174 HydrophobicContact CE1-CB 3.99Å; F171-I174 HydrophobicContact CE1-CG2 3.76Å; F171-I174 HydrophobicContact CE2-CD1 3.88Å; F171-I174 HydrophobicContact CE2-CG2 4.24Å; F171-I174 HydrophobicContact CG-CB 4.42Å; F171-I174 HydrophobicContact CG-CD1 4.03Å; F171-I174 HydrophobicContact CZ-CB 4.32Å; F171-I174 HydrophobicContact CZ-CD1 4.38Å; F171-I174 HydrophobicContact CZ-CG2 3.73Å; F171-I174 PolarHBondContact O-N 3.4Å; F171-A176 HydrophobicContact CE1-CB 4.11Å; F171-A176 HydrophobicContact CZ-CB 4.16Å; F171-C178 HydrophobicContact CE1-CB 3.95Å; F171-C178 HydrophobicContact CZ-CB 4.41Å; F171-I180 HydrophobicContact CB-CD1 4.11Å; F171-I180 HydrophobicContact CG-CD1 4.47Å
172	S	89.9	Confident	88.8	Confident	71 Å²	71	50.9 Å²	50.9	50%	0.497	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	142.7	-178.9	-166.6	0	0	0	0	111.5	N73 I168 R169 I174	N73-S172 PolarHBondContact ND2-N 2.85Å; N73-S172 PolarHBondContact ND2-O 3.47Å; N73-S172 PolarHBondContact OD1-O 3.32Å; I168-S172 PolarHBondContact O-N 3.01Å; R169-S172 WeakPolarHBondContact O-CB 3.31Å; R169-S172 PolarHBondContact O-N 3.18Å; S172-I174 PolarHBondContact O-N 3.1Å; S172-I174 VanDerWaalsContact O-N 3.12Å
173	G	83.6	Confident	89.1	Confident	77 Å²	77	48 Å²	48	79%	0.794	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	-4.1	176.6	0	0	0	0	0	115.7	Q175	G173-Q175 PolarHBondContact O-N 3.32Å
174	I	84.8	Confident	88.8	Confident	19 Å²	19	48.8 Å²	48.8	10%	0.097	27%	0.267	C	S	.	.			trans	-84.6	109.2	178.8	-60.2	-177.6	0	0	0	109.2	L69 I70 L122 F171 S172 A176	L69-I174 HydrophobicContact CB-CD1 4.03Å; L69-I174 HydrophobicContact CB-CG1 4.04Å; L69-I174 HydrophobicContact CD1-CG1 4.29Å; I70-I174 HydrophobicContact CG1-CD1 3.95Å; L122-I174 HydrophobicContact CD1-CD1 4.19Å; L122-I174 HydrophobicContact CD2-CG2 3.67Å; F171-I174 HydrophobicContact CD1-CB 4.06Å; F171-I174 HydrophobicContact CD1-CD1 4.5Å; F171-I174 HydrophobicContact CD1-CG2 4.33Å; F171-I174 HydrophobicContact CD2-CD1 3.67Å; F171-I174 HydrophobicContact CE1-CB 3.99Å; F171-I174 HydrophobicContact CE1-CG2 3.76Å; F171-I174 HydrophobicContact CE2-CD1 3.88Å; F171-I174 HydrophobicContact CE2-CG2 4.24Å; F171-I174 HydrophobicContact CG-CB 4.42Å; F171-I174 HydrophobicContact CG-CD1 4.03Å; F171-I174 HydrophobicContact CZ-CB 4.32Å; F171-I174 HydrophobicContact CZ-CD1 4.38Å; F171-I174 HydrophobicContact CZ-CG2 3.73Å; F171-I174 PolarHBondContact O-N 3.4Å; S172-I174 PolarHBondContact O-N 3.1Å; S172-I174 VanDerWaalsContact O-N 3.12Å; I174-A176 HydrophobicContact CG2-CB 4.08Å; I174-A176 PolarHBondContact O-N 3.18Å
175	Q	68.3	Low	88.2	Confident	202 Å²	202	54.5 Å²	54.5	94%	0.944	29%	0.293	S	S	*	.			trans	-75.8	67.4	173.4	-66	-179.5	-9.5	0	0	110.7	G173	G173-Q175 PolarHBondContact O-N 3.32Å
176	A	68.8	Low	87.7	Confident	28 Å²	28	56.9 Å²	56.9	23%	0.231	30%	0.295	C	S	.	.	S	Bend	trans	-107.5	146.6	165	0	0	0	0	0	108.3	L122 F171 I174 C178	L122-A176 HydrophobicContact CD2-CB 4.39Å; F171-A176 HydrophobicContact CE1-CB 4.11Å; F171-A176 HydrophobicContact CZ-CB 4.16Å; I174-A176 HydrophobicContact CG2-CB 4.08Å; I174-A176 PolarHBondContact O-N 3.18Å; A176-C178 HydrophobicContact CB-CB 4.15Å; A176-C178 PolarHBondContact O-N 3.02Å
177	D	76.9	Confident	87.3	Confident	141 Å²	141	56.8 Å²	56.8	75%	0.754	29%	0.294	S	S	*	.	S	Bend	trans	-69	64	169.2	-77.6	-30.4	0	0	0	110.9
178	C	87.5	Confident	86.7	Confident	21 Å²	21	57.8 Å²	57.8	14%	0.142	30%	0.298	C	S	.	.			trans	-134	108.2	-173.3	169.9	0	0	0	0	109.7	L121 F171 A176 K222	L121-C178 HydrophobicContact CD2-CB 4.33Å; L121-C178 WeakPolarHBondContact CD2-SG 3.3Å; F171-C178 HydrophobicContact CE1-CB 3.95Å; F171-C178 HydrophobicContact CZ-CB 4.41Å; A176-C178 HydrophobicContact CB-CB 4.15Å; A176-C178 PolarHBondContact O-N 3.02Å; C178-K222 HydrophobicContact CB-CB 4.42Å; C178-K222 HydrophobicContact CB-CG 4.22Å
179	Y	91.4	Very high	85.8	Confident	84 Å²	84	58.8 Å²	58.8	33%	0.329	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	128.6	167.4	-171	-97.6	0	0	0	110.7	R164 A181 P218 S220 T221 K222 I223	R164-Y179 PolarHBondContact NH2-OH 2.85Å; Y179-A181 HydrophobicContact CD1-CB 3.89Å; Y179-A181 HydrophobicContact CE1-CB 3.77Å; Y179-P218 HydrophobicContact CD1-CB 4.3Å; Y179-P218 HydrophobicContact CD1-CG 3.76Å; Y179-P218 HydrophobicContact CD2-CG 4.02Å; Y179-P218 HydrophobicContact CE1-CG 3.84Å; Y179-P218 HydrophobicContact CE2-CG 4.09Å; Y179-P218 HydrophobicContact CG-CB 4.18Å; Y179-P218 HydrophobicContact CG-CG 3.84Å; Y179-S220 PolarHBondContact N-O 2.78Å; Y179-T221 WeakPolarHBondContact CD1-OG1 3.42Å; Y179-T221 VanDerWaalsContact O-CA 3.32Å; Y179-T221 WeakPolarHBondContact O-CA 3.42Å; Y179-K222 PolarHBondContact O-N 3.47Å; Y179-K222 VanDerWaalsContact O-N 3.1Å; Y179-I223 PolarHBondContact O-N 2.95Å
180	I	94.5	Very high	84.3	Confident	10 Å²	10	56.6 Å²	56.6	5%	0.051	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	107.2	174.4	-55.7	175.9	0	0	0	108.3	L118 R164 A167 I168 F171 I223 I225	L118-I180 HydrophobicContact CD2-CD1 4.16Å; R164-I180 HydrophobicContact CG-CG2 4.38Å; R164-I180 PolarHBondContact NE-O 3.34Å; R164-I180 PolarHBondContact NH2-O 2.76Å; R164-I180 VanDerWaalsContact NH2-O 3.09Å; A167-I180 HydrophobicContact CB-CD1 3.94Å; A167-I180 HydrophobicContact CB-CG2 4.03Å; I168-I180 HydrophobicContact CG1-CB 4.37Å; F171-I180 HydrophobicContact CB-CD1 4.11Å; F171-I180 HydrophobicContact CG-CD1 4.47Å; I180-I223 HydrophobicContact CD1-CD1 4.48Å; I180-I223 HydrophobicContact CG1-CB 4.25Å; I180-I223 HydrophobicContact CG1-CD1 4.35Å; I180-I223 HydrophobicContact CG2-CB 4.17Å; I180-I223 HydrophobicContact CG2-CG2 4.13Å; I180-I225 HydrophobicContact CG2-CD1 4.01Å
181	A	94.1	Very high	82.5	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	142.3	-173.9	0	0	0	0	0	113	Y179 L217 T221 I223 L224 I225	Y179-A181 HydrophobicContact CD1-CB 3.89Å; Y179-A181 HydrophobicContact CE1-CB 3.77Å; A181-L217 HydrophobicContact CB-CD1 3.94Å; A181-L217 HydrophobicContact CB-CD2 3.78Å; A181-L217 HydrophobicContact CB-CG 4.4Å; A181-T221 HydrophobicContact CB-CG2 3.48Å; A181-T221 VanDerWaalsContact CB-CG2 3.48Å; A181-I223 PolarHBondContact N-O 2.8Å; A181-L224 HydrophobicContact CB-CD1 4.12Å; A181-I225 PolarHBondContact O-N 3.08Å
182	A	94.4	Very high	80.6	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.9	159.3	0	0	0	0	0	108.9	M160 R164 H184 H187 I225	M160-A182 HydrophobicContact CE-CB 4.09Å; R164-A182 HydrophobicContact CB-CB 4.48Å; A182-H184 PolarHBondContact O-CD2 2.86Å; A182-H184 VanDerWaalsContact O-CD2 3.22Å; A182-H184 PolarHBondContact O-N 2.84Å; A182-H187 PolarHBondContact O-CE1 2.89Å; A182-H187 PolarHBondContact O-ND1 3.07Å; A182-I225 CarbonylContact C-O 3.55Å; A182-I225 WeakPolarHBondContact CA-O 3.32Å
183	L	94.1	Very high	78.5	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	37%	0.369	C	S	.	.			trans	-84.5	102.5	-176.4	-172.6	66.2	0	0	0	111.7	H187 Y188 L217 L224 I225 S226 R230 L231 L234 I244	L183-H187 HydrophobicContact CD1-CB 4.09Å; L183-Y188 HydrophobicContact CD1-CD2 4.27Å; L183-Y188 HydrophobicContact CD1-CE2 4.33Å; L183-L217 HydrophobicContact CD1-CD1 3.83Å; L183-L224 HydrophobicContact CB-CD1 4.05Å; L183-I225 PolarHBondContact N-O 3.44Å; L183-S226 WeakPolarHBondContact CD2-OG 3.3Å; L183-R230 HydrophobicContact CD2-CB 4.37Å; L183-R230 HydrophobicContact CD2-CG 3.59Å; L183-R230 HydrophobicContact CG-CG 3.65Å; L183-L231 HydrophobicContact CD2-CD1 4.49Å; L183-L234 HydrophobicContact CD1-CD1 3.95Å; L183-L234 HydrophobicContact CD2-CD1 3.74Å; L183-L234 HydrophobicContact CG-CD1 4.41Å; L183-I244 HydrophobicContact CD2-CD1 4.48Å
184	H	87.8	Confident	76.8	Confident	18 Å²	18	83.1 Å²	83.1	8%	0.083	37%	0.372	C	S	.	.			trans	-92.4	167.2	175.8	-68.6	-100.5	0	0	0	113.1	H161 A182 K186 H187 R230 E423	H161-H184 AromaticContact CE1-CE1 3.06Å; H161-H184 PolarHBondContact CE1-CE1 3.3Å; H161-H184 AromaticContact CE1-NE2 3.55Å; H161-H184 AromaticContact NE2-CE1 3.03Å; H161-H184 PolarHBondContact NE2-CE1 2.99Å; H161-H184 AromaticContact NE2-NE2 3.26Å; H161-H184 PolarHBondContact NE2-NE2 2.88Å; A182-H184 PolarHBondContact O-CD2 2.86Å; A182-H184 VanDerWaalsContact O-CD2 3.22Å; A182-H184 PolarHBondContact O-N 2.84Å; H184-K186 HydrophobicContact CB-CD 4.45Å; H184-K186 HydrophobicContact CB-CG 3.84Å; H184-K186 PolarHBondContact O-N 2.63Å; H184-H187 AromaticContact CD2-CE1 3.7Å; H184-H187 PolarHBondContact N-ND1 3.02Å; H184-H187 PolarHBondContact O-N 2.93Å; H184-R230 PolarHBondContact O-NE 3.44Å; H184-R230 VanDerWaalsContact O-NE 3.16Å; H184-E423 IonicContact CE1-OE1 2.66Å; H184-E423 PolarHBondContact CE1-OE1 3.29Å; H184-E423 IonicContact CE1-OE2 2.79Å; H184-E423 IonicContact ND1-OE1 3.72Å; H184-E423 IonicContact ND1-OE2 2.82Å; H184-E423 PolarHBondContact ND1-OE2 3.01Å
185	K	83.4	Confident	74.9	Confident	163 Å²	163	89.7 Å²	89.7	71%	0.709	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-31.1	170.4	-69.3	-176.6	179.1	178.7	0	113.3	H187 F189	K185-H187 VanDerWaalsContact C-N 3.28Å; K185-H187 PolarHBondContact O-N 2.74Å; K185-F189 WeakPolarHBondContact O-CB 3.46Å
186	K	82.6	Confident	74	Confident	116 Å²	116	84.2 Å²	84.2	50%	0.504	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-27.8	179.4	69.9	-175	177	-179.9	0	112.9	H184 L215	H184-K186 HydrophobicContact CB-CD 4.45Å; H184-K186 HydrophobicContact CB-CG 3.84Å; H184-K186 PolarHBondContact O-N 2.63Å; K186-L215 HydrophobicContact CB-CD1 4.01Å; K186-L215 HydrophobicContact CD-CD1 3.85Å; K186-L215 HydrophobicContact CG-CD1 3.85Å
187	H	84.5	Confident	73	Confident	19 Å²	19	94.8 Å²	94.8	9%	0.088	42%	0.424	C	S	.	.	B	Isolated β-bridge	trans	-73.1	135.1	175.7	-56.3	144.5	0	0	0	109.2	A182 L183 H184 K185 F189 L215 L217 R230	A182-H187 PolarHBondContact O-CE1 2.89Å; A182-H187 PolarHBondContact O-ND1 3.07Å; L183-H187 HydrophobicContact CD1-CB 4.09Å; H184-H187 AromaticContact CD2-CE1 3.7Å; H184-H187 PolarHBondContact N-ND1 3.02Å; H184-H187 PolarHBondContact O-N 2.93Å; K185-H187 VanDerWaalsContact C-N 3.28Å; K185-H187 PolarHBondContact O-N 2.74Å; H187-F189 PolarHBondContact O-N 2.75Å; H187-L215 CarbonylContact C-O 3.55Å; H187-L215 WeakPolarHBondContact CA-O 3.47Å; H187-L217 WeakPolarHBondContact ND1-CD2 3.4Å; H187-R230 PolarHBondContact O-NH2 3.43Å
188	Y	82.4	Confident	71.5	Confident	21 Å²	21	95.4 Å²	95.4	8%	0.082	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	39.3	-179.6	-47.1	-73.6	0	0	0	113.3	H144 L183 L215 K216 L217 L234 P243	H144-Y188 PolarHBondContact CE1-OH 3.41Å; L183-Y188 HydrophobicContact CD1-CD2 4.27Å; L183-Y188 HydrophobicContact CD1-CE2 4.33Å; Y188-L215 PolarHBondContact N-O 3.13Å; Y188-K216 HydrophobicContact CD1-CG 4.15Å; Y188-K216 HydrophobicContact CE1-CB 3.9Å; Y188-K216 HydrophobicContact CE1-CD 4.45Å; Y188-K216 HydrophobicContact CE1-CG 3.82Å; Y188-L217 HydrophobicContact CE2-CB 4.34Å; Y188-L217 HydrophobicContact CE2-CD1 4.12Å; Y188-L217 HydrophobicContact CE2-CG 3.95Å; Y188-L217 WeakPolarHBondContact OH-CB 3.33Å; Y188-L217 PolarHBondContact OH-N 2.6Å; Y188-L234 HydrophobicContact CD2-CD1 3.84Å; Y188-L234 HydrophobicContact CE2-CD1 4.48Å; Y188-P243 HydrophobicContact CD1-CB 3.71Å; Y188-P243 HydrophobicContact CD1-CG 3.67Å; Y188-P243 HydrophobicContact CD2-CG 3.91Å; Y188-P243 HydrophobicContact CE1-CB 3.35Å; Y188-P243 HydrophobicContact CE1-CG 3.74Å; Y188-P243 HydrophobicContact CE2-CB 4.25Å; Y188-P243 HydrophobicContact CE2-CG 3.97Å; Y188-P243 HydrophobicContact CG-CB 4.3Å; Y188-P243 HydrophobicContact CG-CG 3.75Å
189	F	74.4	Confident	69.7	Low	100 Å²	100	100.4 Å²	100.4	44%	0.439	46%	0.457	S	S	.	.			trans	-84.1	113.1	179	-171.3	-110.8	0	0	0	110.5	K185 H187 R191	K185-F189 WeakPolarHBondContact O-CB 3.46Å; H187-F189 PolarHBondContact O-N 2.75Å; F189-R191 HydrophobicContact CD1-CB 4.35Å; F189-R191 HydrophobicContact CD1-CG 4.11Å; F189-R191 HydrophobicContact CE1-CB 4.29Å; F189-R191 HydrophobicContact CE1-CG 3.6Å; F189-R191 PolarHBondContact O-N 3.44Å
190	V	61.4	Low	67.5	Low	83 Å²	83	101.4 Å²	101.4	50%	0.503	48%	0.476	S	S	.	.			trans	-82.6	112.4	177.5	-175	0	0	0	0	109.3	Y192	V190-Y192 HydrophobicContact CG1-CD2 4.28Å; V190-Y192 HydrophobicContact CG1-CE2 3.68Å
191	R	55.4	Low	65.2	Low	157 Å²	157	110.5 Å²	110.5	59%	0.592	52%	0.515	S	S	*	.			trans	-111.2	113.9	173.7	-124.2	173.8	-171.8	177.5	3.3	109.9	F189 V212	F189-R191 HydrophobicContact CD1-CB 4.35Å; F189-R191 HydrophobicContact CD1-CG 4.11Å; F189-R191 HydrophobicContact CE1-CB 4.29Å; F189-R191 HydrophobicContact CE1-CG 3.6Å; F189-R191 PolarHBondContact O-N 3.44Å; R191-V212 HydrophobicContact CB-CB 4.14Å; R191-V212 HydrophobicContact CB-CG2 4.09Å
192	Y	52.1	Low	63	Low	196 Å²	196	117.6 Å²	117.6	77%	0.769	55%	0.553	S	S	*	*			trans	-86.6	114.4	161.9	-60	-79.7	0	0	0	108	V190 K194	V190-Y192 HydrophobicContact CG1-CD2 4.28Å; V190-Y192 HydrophobicContact CG1-CE2 3.68Å; Y192-K194 PolarHBondContact O-N 3.26Å
193	R	45.9	Very low	60.6	Low	170 Å²	170	124.2 Å²	124.2	64%	0.642	59%	0.589	S	S	*	*			trans	-77	112.8	173.9	-162.6	175.2	176.4	150.7	-1	108.1	K195	R193-K195 PolarHBondContact O-N 2.97Å
194	K	48.2	Very low	58.1	Low	197 Å²	197	130.4 Å²	130.4	86%	0.857	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-64.2	130.9	163.9	-74.7	-174.3	176.9	-177.7	0	107.9	Y192	Y192-K194 PolarHBondContact O-N 3.26Å
195	K	44.9	Very low	56	Low	157 Å²	157	136.7 Å²	136.7	68%	0.683	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-58.4	135.7	177.4	-139.2	174.8	175.8	-179.5	0	108.6	R193 T207	R193-K195 PolarHBondContact O-N 2.97Å; K195-T207 WeakPolarHBondContact CE-OG1 3.48Å; K195-T207 PolarHBondContact NZ-OG1 2.87Å
196	A	50.5	Low	53.9	Low	88 Å²	88	134.2 Å²	134.2	73%	0.727	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-62.2	141.9	176.6	0	0	0	0	0	109.9	N198	A196-N198 VanDerWaalsContact C-N 3.29Å; A196-N198 PolarHBondContact O-N 3.49Å; A196-N198 VanDerWaalsContact O-N 3.16Å
197	R	47.3	Very low	52	Low	249 Å²	249	133.3 Å²	133.3	94%	0.94	67%	0.667	S	S	*	*	S	Bend	trans	-77.5	9.7	-163.3	-118	177.3	-179.3	166.3	-3.4	116.5
198	N	45.3	Very low	50.2	Low	155 Å²	155	141.5 Å²	141.5	83%	0.829	70%	0.702	S	S	*	*			trans	-129.5	68.5	-172.8	-74.2	0.5	0	0	0	113.1	A196	A196-N198 VanDerWaalsContact C-N 3.29Å; A196-N198 PolarHBondContact O-N 3.49Å; A196-N198 VanDerWaalsContact O-N 3.16Å
199	V	48.5	Very low	48.5	Very low	126 Å²	126	144.4 Å²	144.4	76%	0.764	72%	0.724	S	S	*	*			trans	-138.1	129.9	165.7	-174.9	0	0	0	0	109.1
200	S	45.6	Very low	47	Very low	105 Å²	105	149.6 Å²	149.6	73%	0.734	74%	0.741	S	S	*	*			trans	-51.9	150.9	-173.2	-166.7	0	0	0	0	114.1	N202	S200-N202 PolarHBondContact O-N 3.5Å
201	K	47.1	Very low	46.4	Very low	200 Å²	200	154.6 Å²	154.6	87%	0.87	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	6.2	-166.2	-87.6	-179.7	173.9	177.7	0	117.2
202	N	46.3	Very low	46.2	Very low	150 Å²	150	150.1 Å²	150.1	80%	0.802	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.4	15.3	-165.5	-77.1	6	0	0	0	116.8	S200	S200-N202 PolarHBondContact O-N 3.5Å
203	D	44.1	Very low	46.2	Very low	139 Å²	139	152.4 Å²	152.4	74%	0.743	75%	0.753	S	S	*	*			trans	-115.1	80.6	177.4	-145.7	4.8	0	0	0	111.6	L205	D203-L205 PolarHBondContact O-N 3.08Å
204	V	41.5	Very low	47	Very low	130 Å²	130	148.1 Å²	148.1	79%	0.788	74%	0.74	S	S	*	*			trans	-88.5	77.8	173.5	-178.3	0	0	0	0	107.5
205	L	44	Very low	48.2	Very low	149 Å²	149	143.2 Å²	143.2	78%	0.78	72%	0.723	S	S	*	*	S	Bend	trans	-163.8	127.2	156.8	-127.6	72.2	0	0	0	110.9	D203	D203-L205 PolarHBondContact O-N 3.08Å
206	S	38.9	Very low	50.1	Low	112 Å²	112	140.8 Å²	140.8	78%	0.783	71%	0.712	S	S	*	*			trans	39.5	94.4	156.4	171.8	0	0	0	0	118.6
207	T	42.8	Very low	52	Low	97 Å²	97	136.7 Å²	136.7	60%	0.595	68%	0.678	S	S	*	*			trans	-140	93.5	157.2	42.2	0	0	0	0	111.8	K195	K195-T207 WeakPolarHBondContact CE-OG1 3.48Å; K195-T207 PolarHBondContact NZ-OG1 2.87Å
208	K	48.6	Very low	54	Low	191 Å²	191	127.1 Å²	127.1	83%	0.83	65%	0.648	S	S	*	*			trans	-53.1	139.9	169.4	-71.7	176	179.3	171.6	0	109.7	R210	K208-R210 PolarHBondContact O-N 3.49Å
209	P	45.4	Very low	56	Low	82 Å²	82	123.9 Å²	123.9	53%	0.532	64%	0.637	S	S	.	*			trans	-58.5	125.6	176	23.8	-32.3	0	0	0	109.8	K211	P209-K211 PolarHBondContact O-N 3.1Å
210	R	42.8	Very low	58	Low	209 Å²	209	119.9 Å²	119.9	79%	0.789	62%	0.615	S	S	*	*			trans	-57.7	108.3	174.2	-89.2	-176.2	167.8	177.9	-3.5	108.9	K208 V212	K208-R210 PolarHBondContact O-N 3.49Å; R210-V212 PolarHBondContact O-N 3.01Å
211	K	49.5	Very low	60.3	Low	188 Å²	188	114.9 Å²	114.9	82%	0.817	58%	0.58	S	S	*	*			trans	-62.5	120	171	-70.3	-177.1	179.2	-179.5	0	108.2	P209	P209-K211 PolarHBondContact O-N 3.1Å
212	V	50.2	Low	62.5	Low	63 Å²	63	107 Å²	107	38%	0.382	55%	0.546	S	S	.	.			trans	-69.3	135.9	169.4	177.8	0	0	0	0	107.3	R191 R210 E214	R191-V212 HydrophobicContact CB-CB 4.14Å; R191-V212 HydrophobicContact CB-CG2 4.09Å; R210-V212 PolarHBondContact O-N 3.01Å; V212-E214 PolarHBondContact O-N 3.07Å
213	R	51.8	Low	64.9	Low	243 Å²	243	99.9 Å²	99.9	92%	0.917	51%	0.508	S	S	*	.			trans	-48.8	115.9	177.9	-74.9	-178.3	173.5	172.4	-2.6	109.7	L215	R213-L215 PolarHBondContact O-N 3.01Å
214	E	63.1	Low	67.4	Low	80 Å²	80	93.3 Å²	93.3	37%	0.374	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-74.8	119.7	172.4	-68.1	173.1	-173.8	0	0	107.8	V212 K216	V212-E214 PolarHBondContact O-N 3.07Å; E214-K216 PolarHBondContact O-N 3.2Å
215	L	73.3	Confident	70.1	Confident	95 Å²	95	87.1 Å²	87.1	50%	0.497	44%	0.435	S	S	.	.	B	Isolated β-bridge	trans	-67	117.8	167.6	-69.6	167.7	0	0	0	107.2	K186 H187 Y188 R213	K186-L215 HydrophobicContact CB-CD1 4.01Å; K186-L215 HydrophobicContact CD-CD1 3.85Å; K186-L215 HydrophobicContact CG-CD1 3.85Å; H187-L215 CarbonylContact C-O 3.55Å; H187-L215 WeakPolarHBondContact CA-O 3.47Å; Y188-L215 PolarHBondContact N-O 3.13Å; R213-L215 PolarHBondContact O-N 3.01Å
216	K	85.4	Confident	72.5	Confident	106 Å²	106	80 Å²	80	46%	0.461	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-102.7	147.1	175.1	-62.5	-175.2	-178.2	179.2	0	108.8	H144 Y188 E214	H144-K216 HydrophobicContact CB-CD 4.1Å; Y188-K216 HydrophobicContact CD1-CG 4.15Å; Y188-K216 HydrophobicContact CE1-CB 3.9Å; Y188-K216 HydrophobicContact CE1-CD 4.45Å; Y188-K216 HydrophobicContact CE1-CG 3.82Å; E214-K216 PolarHBondContact O-N 3.2Å
217	L	90.5	Very high	75	Confident	2 Å²	2	75.6 Å²	75.6	1%	0.01	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-69.7	147.1	168.9	-66.7	177.5	0	0	0	108.8	H144 I146 A181 L183 H187 Y188 L224	H144-L217 PolarHBondContact CE1-O 3.47Å; H144-L217 PolarHBondContact NE2-O 2.9Å; I146-L217 HydrophobicContact CD1-CD1 3.94Å; I146-L217 HydrophobicContact CG2-CB 4.39Å; A181-L217 HydrophobicContact CB-CD1 3.94Å; A181-L217 HydrophobicContact CB-CD2 3.78Å; A181-L217 HydrophobicContact CB-CG 4.4Å; L183-L217 HydrophobicContact CD1-CD1 3.83Å; H187-L217 WeakPolarHBondContact ND1-CD2 3.4Å; Y188-L217 HydrophobicContact CE2-CB 4.34Å; Y188-L217 HydrophobicContact CE2-CD1 4.12Å; Y188-L217 HydrophobicContact CE2-CG 3.95Å; Y188-L217 WeakPolarHBondContact OH-CB 3.33Å; Y188-L217 PolarHBondContact OH-N 2.6Å; L217-L224 HydrophobicContact CD1-CD1 3.59Å
218	P	89.1	Confident	77.3	Confident	48 Å²	48	71 Å²	71	31%	0.312	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-55.1	143.6	174.1	-25.5	35.5	0	0	0	112.2	I146 Y179 S220 T221	I146-P218 WeakPolarHBondContact CG2-O 3.34Å; Y179-P218 HydrophobicContact CD1-CB 4.3Å; Y179-P218 HydrophobicContact CD1-CG 3.76Å; Y179-P218 HydrophobicContact CD2-CG 4.02Å; Y179-P218 HydrophobicContact CE1-CG 3.84Å; Y179-P218 HydrophobicContact CE2-CG 4.09Å; Y179-P218 HydrophobicContact CG-CB 4.18Å; Y179-P218 HydrophobicContact CG-CG 3.84Å; P218-S220 PolarHBondContact O-N 3.28Å; P218-T221 VanDerWaalsContact O-CB 3.28Å; P218-T221 WeakPolarHBondContact O-CB 3.33Å; P218-T221 PolarHBondContact O-N 2.91Å; P218-T221 PolarHBondContact O-OG1 2.95Å
219	S	87.8	Confident	79.1	Confident	86 Å²	86	64.6 Å²	64.6	60%	0.601	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-30.2	174.4	48.8	0	0	0	0	112.5	T221	S219-T221 PolarHBondContact O-N 3.24Å; S219-T221 VanDerWaalsContact O-N 3.07Å
220	S	90.5	Very high	81.2	Confident	42 Å²	42	62.1 Å²	62.1	29%	0.294	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	6.9	173.5	58.8	0	0	0	0	114.5	Y179 P218 K222	Y179-S220 PolarHBondContact N-O 2.78Å; P218-S220 PolarHBondContact O-N 3.28Å; S220-K222 PolarHBondContact O-N 3.4Å
221	T	93.3	Very high	83.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	103.8	178	-59.1	0	0	0	0	111.4	I146 Y179 A181 P218 S219 L224	I146-T221 HydrophobicContact CD1-CG2 3.96Å; Y179-T221 WeakPolarHBondContact CD1-OG1 3.42Å; Y179-T221 VanDerWaalsContact O-CA 3.32Å; Y179-T221 WeakPolarHBondContact O-CA 3.42Å; A181-T221 HydrophobicContact CB-CG2 3.48Å; A181-T221 VanDerWaalsContact CB-CG2 3.48Å; P218-T221 VanDerWaalsContact O-CB 3.28Å; P218-T221 WeakPolarHBondContact O-CB 3.33Å; P218-T221 PolarHBondContact O-N 2.91Å; P218-T221 PolarHBondContact O-OG1 2.95Å; S219-T221 PolarHBondContact O-N 3.24Å; S219-T221 VanDerWaalsContact O-N 3.07Å; T221-L224 HydrophobicContact CG2-CD1 4.47Å
222	K	94.4	Very high	85.5	Confident	36 Å²	36	43.8 Å²	43.8	16%	0.157	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-26.5	177.3	-59.4	-65.4	-177.9	164.3	0	113	L121 P148 F149 A150 C178 Y179 S220	L121-K222 HydrophobicContact CD1-CB 3.96Å; L121-K222 HydrophobicContact CD1-CG 4.27Å; L121-K222 HydrophobicContact CD2-CB 3.88Å; P148-K222 CarbonylContact C-O 3.53Å; P148-K222 WeakPolarHBondContact CA-O 3.13Å; F149-K222 HydrophobicContact CB-CB 4.5Å; F149-K222 WeakPolarHBondContact CB-O 3.22Å; F149-K222 PolarHBondContact N-O 3.48Å; A150-K222 PolarHBondContact N-O 2.99Å; A150-K222 VanDerWaalsContact N-O 3.13Å; C178-K222 HydrophobicContact CB-CB 4.42Å; C178-K222 HydrophobicContact CB-CG 4.22Å; Y179-K222 PolarHBondContact O-N 3.47Å; Y179-K222 VanDerWaalsContact O-N 3.1Å; S220-K222 PolarHBondContact O-N 3.4Å
223	I	96.3	Very high	87.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	120.1	174.7	-59.3	-178.2	0	0	0	109.2	V117 L118 L121 A150 I152 Y179 I180 A181 I225	V117-I223 HydrophobicContact CG1-CD1 4.21Å; L118-I223 HydrophobicContact CD2-CD1 3.36Å; L118-I223 HydrophobicContact CG-CD1 4.37Å; L121-I223 HydrophobicContact CD2-CD1 4Å; L121-I223 HydrophobicContact CD2-CG1 3.98Å; A150-I223 HydrophobicContact CB-CG1 4.41Å; A150-I223 WeakPolarHBondContact O-CA 3.36Å; I152-I223 HydrophobicContact CD1-CG2 3.97Å; Y179-I223 PolarHBondContact O-N 2.95Å; I180-I223 HydrophobicContact CD1-CD1 4.48Å; I180-I223 HydrophobicContact CG1-CB 4.25Å; I180-I223 HydrophobicContact CG1-CD1 4.35Å; I180-I223 HydrophobicContact CG2-CB 4.17Å; I180-I223 HydrophobicContact CG2-CG2 4.13Å; A181-I223 PolarHBondContact N-O 2.8Å; I223-I225 HydrophobicContact CG2-CG1 4.35Å
224	L	96.9	Very high	89.2	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	112.2	-179.6	-176.2	68.1	0	0	0	110.8	I146 P148 A150 V151 I152 A181 L183 L217 T221 L231 I244	I146-L224 HydrophobicContact CD1-CD1 4.26Å; I146-L224 HydrophobicContact CD1-CD2 4.33Å; P148-L224 HydrophobicContact CB-CB 4.09Å; A150-L224 PolarHBondContact O-N 3.45Å; V151-L224 CarbonylContact C-O 3.42Å; V151-L224 VanDerWaalsContact CA-O 3.3Å; V151-L224 WeakPolarHBondContact CA-O 3.38Å; V151-L224 HydrophobicContact CG2-CB 4.36Å; I152-L224 PolarHBondContact N-O 3.45Å; A181-L224 HydrophobicContact CB-CD1 4.12Å; L183-L224 HydrophobicContact CB-CD1 4.05Å; L217-L224 HydrophobicContact CD1-CD1 3.59Å; T221-L224 HydrophobicContact CG2-CD1 4.47Å; L224-L231 HydrophobicContact CD2-CD1 4Å; L224-I244 HydrophobicContact CD2-CD1 3.84Å; L224-I244 HydrophobicContact CD2-CG2 4.45Å
225	I	97.3	Very high	90.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.2	174.5	-55.6	160.6	0	0	0	108	I152 M160 I163 R164 I180 A181 A182 L183 I223	I152-I225 HydrophobicContact CB-CG1 4.12Å; I152-I225 HydrophobicContact CD1-CG1 4.08Å; I152-I225 CarbonylContact O-C 3.45Å; I152-I225 VanDerWaalsContact O-CA 3.3Å; I152-I225 WeakPolarHBondContact O-CA 3.45Å; M160-I225 HydrophobicContact CB-CG2 3.74Å; M160-I225 VanDerWaalsContact CE-O 3.23Å; M160-I225 WeakPolarHBondContact CE-O 3.44Å; M160-I225 HydrophobicContact CG-CG2 3.9Å; I163-I225 HydrophobicContact CB-CD1 4.34Å; I163-I225 HydrophobicContact CB-CG2 4.39Å; I163-I225 HydrophobicContact CG2-CD1 3.81Å; I163-I225 HydrophobicContact CG2-CG1 4.21Å; I163-I225 HydrophobicContact CG2-CG2 4.4Å; R164-I225 HydrophobicContact CB-CD1 3.59Å; R164-I225 HydrophobicContact CG-CD1 4.27Å; I180-I225 HydrophobicContact CG2-CD1 4.01Å; A181-I225 PolarHBondContact O-N 3.08Å; A182-I225 CarbonylContact C-O 3.55Å; A182-I225 WeakPolarHBondContact CA-O 3.32Å; L183-I225 PolarHBondContact N-O 3.44Å; I223-I225 HydrophobicContact CG2-CG1 4.35Å
226	S	95.4	Very high	91.1	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	160.1	-173.7	-170.5	0	0	0	0	114.1	I152 L153 A154 M160 L183	I152-S226 PolarHBondContact O-N 3.26Å; L153-S226 WeakPolarHBondContact CA-O 3.49Å; A154-S226 PolarHBondContact N-O 3.49Å; M160-S226 VanDerWaalsContact CE-CA 3.47Å; L183-S226 WeakPolarHBondContact CD2-OG 3.3Å
227	T	91.2	Very high	91.1	Very high	19 Å²	19	27.3 Å²	27.3	12%	0.117	17%	0.17	C	C	.	.			trans	-84.3	144.1	161.9	47.9	0	0	0	0	108.8	A154 Q157 M160 S229 R230 L231	A154-T227 WeakPolarHBondContact O-CA 3.39Å; Q157-T227 HydrophobicContact CG-CG2 4.39Å; Q157-T227 PolarHBondContact NE2-OG1 2.89Å; M160-T227 HydrophobicContact CG-CG2 4.48Å; M160-T227 HydrophobicContact SD-CG2 3.5Å; M160-T227 VanDerWaalsContact SD-CG2 3.5Å; M160-T227 PolarHBondContact SD-N 2.81Å; T227-S229 VanDerWaalsContact C-N 3.35Å; T227-S229 PolarHBondContact O-N 2.66Å; T227-R230 PolarHBondContact O-N 2.94Å; T227-R230 WeakPolarHBondContact OG1-CB 3.2Å; T227-L231 PolarHBondContact O-N 3.41Å; T227-L231 VanDerWaalsContact O-N 3.14Å
228	P	89.7	Confident	90.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-53	-49.6	-178.4	-29.3	36.3	0	0	0	113	A154 R230 L231 S232 M260 Q289 V290 I293	A154-P228 WeakPolarHBondContact O-CD 3.17Å; P228-R230 VanDerWaalsContact C-N 3.25Å; P228-R230 PolarHBondContact O-N 3.44Å; P228-L231 PolarHBondContact O-N 3.23Å; P228-S232 VanDerWaalsContact O-CB 3.29Å; P228-S232 WeakPolarHBondContact O-CB 3.35Å; P228-S232 PolarHBondContact O-N 2.91Å; P228-S232 PolarHBondContact O-OG 3.08Å; P228-M260 HydrophobicContact CB-CE 4.33Å; P228-M260 HydrophobicContact CG-CE 3.29Å; P228-M260 HydrophobicContact CG-CG 4.27Å; P228-M260 HydrophobicContact CG-SD 3.72Å; P228-Q289 HydrophobicContact CB-CB 3.88Å; P228-V290 HydrophobicContact CB-CG2 4.05Å; P228-V290 HydrophobicContact CG-CG2 4.22Å; P228-I293 HydrophobicContact CB-CD1 4.35Å
229	S	87	Confident	90.2	Very high	57 Å²	57	33.5 Å²	33.5	40%	0.399	21%	0.212	S	C	.	.	H	α-helix	trans	-57.7	-33.5	178.7	178.7	0	0	0	0	113.8	T227 S232 T233	T227-S229 VanDerWaalsContact C-N 3.35Å; T227-S229 PolarHBondContact O-N 2.66Å; S229-S232 WeakPolarHBondContact CA-OG 3.39Å; S229-S232 PolarHBondContact O-OG 2.83Å; S229-T233 WeakPolarHBondContact O-CB 3.48Å; S229-T233 PolarHBondContact O-N 2.86Å; S229-T233 PolarHBondContact O-OG1 3.25Å
230	R	90.5	Very high	89.7	Confident	30 Å²	30	35.7 Å²	35.7	11%	0.113	21%	0.213	C	C	.	.	H	α-helix	trans	-76.8	-44	-179.1	-178.5	65.5	-166.6	116.8	-14.1	110.7	L183 H184 H187 T227 P228 L234	L183-R230 HydrophobicContact CD2-CB 4.37Å; L183-R230 HydrophobicContact CD2-CG 3.59Å; L183-R230 HydrophobicContact CG-CG 3.65Å; H184-R230 PolarHBondContact O-NE 3.44Å; H184-R230 VanDerWaalsContact O-NE 3.16Å; H187-R230 PolarHBondContact O-NH2 3.43Å; T227-R230 PolarHBondContact O-N 2.94Å; T227-R230 WeakPolarHBondContact OG1-CB 3.2Å; P228-R230 VanDerWaalsContact C-N 3.25Å; P228-R230 PolarHBondContact O-N 3.44Å; R230-L234 VanDerWaalsContact NH1-CD2 3.26Å; R230-L234 VanDerWaalsContact NH1-CG 3.33Å; R230-L234 PolarHBondContact O-N 2.95Å
231	L	92.7	Very high	89.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.2	-48.3	178.1	-176.3	58.4	0	0	0	110.9	V151 L153 L183 L224 T227 P228 T233 L234 L235 I244 I293	V151-L231 HydrophobicContact CG1-CD2 3.66Å; L153-L231 HydrophobicContact CD2-CD2 3.85Å; L183-L231 HydrophobicContact CD2-CD1 4.49Å; L224-L231 HydrophobicContact CD2-CD1 4Å; T227-L231 PolarHBondContact O-N 3.41Å; T227-L231 VanDerWaalsContact O-N 3.14Å; P228-L231 PolarHBondContact O-N 3.23Å; L231-T233 PolarHBondContact O-N 2.89Å; L231-L234 PolarHBondContact O-N 3.43Å; L231-L235 HydrophobicContact CD1-CD1 4.1Å; L231-L235 HydrophobicContact CD1-CD2 4.4Å; L231-L235 HydrophobicContact CD1-CG 4.02Å; L231-L235 HydrophobicContact CD2-CD1 4.3Å; L231-L235 HydrophobicContact CG-CD1 3.78Å; L231-L235 HydrophobicContact CG-CG 4.13Å; L231-L235 WeakPolarHBondContact O-CG 3.48Å; L231-L235 PolarHBondContact O-N 3.32Å; L231-I244 HydrophobicContact CD1-CD1 3.59Å; L231-I293 HydrophobicContact CB-CD1 4.23Å; L231-I293 HydrophobicContact CD2-CD1 3.99Å; L231-I293 HydrophobicContact CD2-CG1 4.27Å; L231-I293 HydrophobicContact CD2-CG2 4.15Å; L231-I293 HydrophobicContact CG-CD1 4.29Å; L231-I293 HydrophobicContact CG-CG1 4.33Å
232	S	90.1	Very high	88.9	Confident	13 Å²	13	40 Å²	40	9%	0.091	23%	0.229	C	C	.	.	H	α-helix	trans	-56.3	-40.4	179.5	73.2	0	0	0	0	111.9	P228 S229 L234 L235 S236 Q289	P228-S232 VanDerWaalsContact O-CB 3.29Å; P228-S232 WeakPolarHBondContact O-CB 3.35Å; P228-S232 PolarHBondContact O-N 2.91Å; P228-S232 PolarHBondContact O-OG 3.08Å; S229-S232 WeakPolarHBondContact CA-OG 3.39Å; S229-S232 PolarHBondContact O-OG 2.83Å; S232-L234 VanDerWaalsContact C-N 3.31Å; S232-L234 PolarHBondContact O-N 3.16Å; S232-L235 PolarHBondContact O-N 2.81Å; S232-S236 VanDerWaalsContact O-CB 3.31Å; S232-S236 WeakPolarHBondContact O-CB 3.47Å; S232-S236 PolarHBondContact O-N 3.38Å; S232-S236 PolarHBondContact O-OG 3.42Å; S232-Q289 WeakPolarHBondContact CB-O 3.36Å
233	T	88.7	Confident	88.6	Confident	76 Å²	76	38.8 Å²	38.8	47%	0.466	23%	0.225	S	C	.	.	H	α-helix	trans	-60.7	-38.5	176.2	-59.5	0	0	0	0	112.2	S229 L231	S229-T233 WeakPolarHBondContact O-CB 3.48Å; S229-T233 PolarHBondContact O-N 2.86Å; S229-T233 PolarHBondContact O-OG1 3.25Å; L231-T233 PolarHBondContact O-N 2.89Å
234	L	89.8	Confident	88.4	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-76.3	-39.8	178.1	-67.5	-176.5	0	0	0	112.3	L183 Y188 R230 L231 S232 S236 L237 C242 P243 I244	L183-L234 HydrophobicContact CD1-CD1 3.95Å; L183-L234 HydrophobicContact CD2-CD1 3.74Å; L183-L234 HydrophobicContact CG-CD1 4.41Å; Y188-L234 HydrophobicContact CD2-CD1 3.84Å; Y188-L234 HydrophobicContact CE2-CD1 4.48Å; R230-L234 VanDerWaalsContact NH1-CD2 3.26Å; R230-L234 VanDerWaalsContact NH1-CG 3.33Å; R230-L234 PolarHBondContact O-N 2.95Å; L231-L234 PolarHBondContact O-N 3.43Å; S232-L234 VanDerWaalsContact C-N 3.31Å; S232-L234 PolarHBondContact O-N 3.16Å; L234-S236 PolarHBondContact O-N 3.26Å; L234-L237 HydrophobicContact CD2-CD1 3.99Å; L234-L237 WeakPolarHBondContact O-CB 3.24Å; L234-L237 WeakPolarHBondContact O-CG 3.25Å; L234-L237 PolarHBondContact O-N 3.41Å; L234-C242 PolarHBondContact O-SG 3.33Å; L234-P243 HydrophobicContact CD1-CG 4.35Å; L234-P243 HydrophobicContact CD2-CG 4.5Å; L234-I244 HydrophobicContact CB-CD1 4.23Å; L234-I244 HydrophobicContact CD1-CD1 3.75Å
235	L	89.7	Confident	88.1	Confident	10 Å²	10	40.4 Å²	40.4	5%	0.052	23%	0.234	C	C	.	.	H	α-helix	trans	-70.2	-22.4	177.8	-63.6	-179.8	0	0	0	112.7	L231 S232 L237 I244 L246 I293 F296	L231-L235 HydrophobicContact CD1-CD1 4.1Å; L231-L235 HydrophobicContact CD1-CD2 4.4Å; L231-L235 HydrophobicContact CD1-CG 4.02Å; L231-L235 HydrophobicContact CD2-CD1 4.3Å; L231-L235 HydrophobicContact CG-CD1 3.78Å; L231-L235 HydrophobicContact CG-CG 4.13Å; L231-L235 WeakPolarHBondContact O-CG 3.48Å; L231-L235 PolarHBondContact O-N 3.32Å; S232-L235 PolarHBondContact O-N 2.81Å; L235-L237 VanDerWaalsContact C-N 3.28Å; L235-I244 HydrophobicContact CD2-CB 4.24Å; L235-I244 HydrophobicContact CD2-CG2 4.27Å; L235-L246 HydrophobicContact CD1-CD1 4.11Å; L235-L246 HydrophobicContact CD2-CD1 4.34Å; L235-I293 HydrophobicContact CD1-CB 4.31Å; L235-I293 HydrophobicContact CD1-CG1 4.13Å; L235-I293 HydrophobicContact CD1-CG2 4.14Å; L235-F296 HydrophobicContact CB-CB 4.41Å; L235-F296 HydrophobicContact CB-CD2 3.95Å; L235-F296 HydrophobicContact CB-CE2 4.45Å; L235-F296 HydrophobicContact CB-CG 4.17Å; L235-F296 HydrophobicContact CD1-CB 4.18Å; L235-F296 HydrophobicContact CD1-CD1 4.41Å; L235-F296 HydrophobicContact CD1-CG 4.22Å; L235-F296 HydrophobicContact CD2-CD1 4Å; L235-F296 HydrophobicContact CD2-CD2 4.18Å; L235-F296 HydrophobicContact CD2-CE1 3.93Å; L235-F296 HydrophobicContact CD2-CE2 4.13Å; L235-F296 HydrophobicContact CD2-CG 4.11Å; L235-F296 HydrophobicContact CD2-CZ 4Å; L235-F296 HydrophobicContact CG-CG 4.39Å
236	S	87	Confident	87.8	Confident	83 Å²	83	40.6 Å²	40.6	58%	0.58	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-7.2	174.6	-55.8	0	0	0	0	113.4	S232 L234	S232-S236 VanDerWaalsContact O-CB 3.31Å; S232-S236 WeakPolarHBondContact O-CB 3.47Å; S232-S236 PolarHBondContact O-N 3.38Å; S232-S236 PolarHBondContact O-OG 3.42Å; L234-S236 PolarHBondContact O-N 3.26Å
237	L	85.8	Confident	87.4	Confident	69 Å²	69	41.3 Å²	41.3	36%	0.361	24%	0.24	S	C	.	.	S	Bend	trans	-68.4	152.1	173.5	-64.1	174.2	0	0	0	109.9	L234 L235 H241	L234-L237 HydrophobicContact CD2-CD1 3.99Å; L234-L237 WeakPolarHBondContact O-CB 3.24Å; L234-L237 WeakPolarHBondContact O-CG 3.25Å; L234-L237 PolarHBondContact O-N 3.41Å; L235-L237 VanDerWaalsContact C-N 3.28Å; L237-H241 HydrophobicContact CB-CB 4.4Å
238	P	81.9	Confident	87.4	Confident	84 Å²	84	44.8 Å²	44.8	55%	0.545	25%	0.25	S	S	.	.			trans	-51.6	144.2	169.5	-24.6	34	0	0	0	110.8	E240 H241 C242	P238-E240 PolarHBondContact O-N 3.14Å; P238-H241 CarbonylContact O-C 3.56Å; P238-H241 WeakPolarHBondContact O-CA 3.3Å; P238-H241 PolarHBondContact O-N 3.14Å; P238-C242 PolarHBondContact O-N 3.32Å
239	S	78.2	Confident	87.5	Confident	96 Å²	96	44.9 Å²	44.9	67%	0.671	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-28.6	-175	-52.6	0	0	0	0	113.7	H241	S239-H241 VanDerWaalsContact C-N 3.28Å; S239-H241 PolarHBondContact O-N 3Å
240	E	76.8	Confident	87.8	Confident	133 Å²	133	43.7 Å²	43.7	62%	0.621	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-21.1	175.1	-72.3	-172.1	-138.9	0	0	115.3	K143 P238	K143-E240 WeakPolarHBondContact CD-O 3.09Å; K143-E240 PolarHBondContact NZ-O 3.01Å; K143-E240 IonicContact NZ-OE2 2.88Å; K143-E240 PolarHBondContact NZ-OE2 3.38Å; P238-E240 PolarHBondContact O-N 3.14Å
241	H	81.7	Confident	88	Confident	126 Å²	126	42.2 Å²	42.2	58%	0.583	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.2	-10.4	-177.3	-63.8	-53.2	0	0	0	112.6	L237 P238 S239 P243	L237-H241 HydrophobicContact CB-CB 4.4Å; P238-H241 CarbonylContact O-C 3.56Å; P238-H241 WeakPolarHBondContact O-CA 3.3Å; P238-H241 PolarHBondContact O-N 3.14Å; S239-H241 VanDerWaalsContact C-N 3.28Å; S239-H241 PolarHBondContact O-N 3Å; H241-P243 VanDerWaalsContact O-CD 3.27Å; H241-P243 WeakPolarHBondContact O-CD 3.39Å
242	C	85.8	Confident	88.2	Confident	7 Å²	7	42.3 Å²	42.3	5%	0.047	24%	0.237	C	C	.	.			trans	-69.9	116.5	176.2	-166.1	0	0	0	0	109.7	L234 P238 I244	L234-C242 PolarHBondContact O-SG 3.33Å; P238-C242 PolarHBondContact O-N 3.32Å; C242-I244 PolarHBondContact O-N 3.01Å; C242-I244 PolarHBondContact SG-O 3.21Å; C242-I244 VanDerWaalsContact SG-O 3.34Å
243	P	89.5	Confident	88.5	Confident	9 Å²	9	41.7 Å²	41.7	6%	0.058	23%	0.233	C	C	.	.			trans	-85.3	3.6	-177.4	34	-31.9	0	0	0	112.7	K145 I146 Y188 L234 H241	K145-P243 CarbonylContact C-O 3.55Å; K145-P243 WeakPolarHBondContact CA-O 3.48Å; I146-P243 WeakPolarHBondContact CG1-O 3.41Å; I146-P243 PolarHBondContact N-O 3.14Å; Y188-P243 HydrophobicContact CD1-CB 3.71Å; Y188-P243 HydrophobicContact CD1-CG 3.67Å; Y188-P243 HydrophobicContact CD2-CG 3.91Å; Y188-P243 HydrophobicContact CE1-CB 3.35Å; Y188-P243 HydrophobicContact CE1-CG 3.74Å; Y188-P243 HydrophobicContact CE2-CB 4.25Å; Y188-P243 HydrophobicContact CE2-CG 3.97Å; Y188-P243 HydrophobicContact CG-CB 4.3Å; Y188-P243 HydrophobicContact CG-CG 3.75Å; L234-P243 HydrophobicContact CD1-CG 4.35Å; L234-P243 HydrophobicContact CD2-CG 4.5Å; H241-P243 VanDerWaalsContact O-CD 3.27Å; H241-P243 WeakPolarHBondContact O-CD 3.39Å
244	I	91.4	Very high	88.7	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.015	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-124.8	127.5	-173.8	-57.1	174.5	0	0	0	108	I146 P148 L183 L224 L231 L234 L235 C242 L246	I146-I244 HydrophobicContact CD1-CG1 4.05Å; I146-I244 HydrophobicContact CG1-CB 4.32Å; I146-I244 HydrophobicContact CG1-CG1 3.92Å; I146-I244 HydrophobicContact CG1-CG2 4.36Å; P148-I244 HydrophobicContact CG-CG2 4.2Å; L183-I244 HydrophobicContact CD2-CD1 4.48Å; L224-I244 HydrophobicContact CD2-CD1 3.84Å; L224-I244 HydrophobicContact CD2-CG2 4.45Å; L231-I244 HydrophobicContact CD1-CD1 3.59Å; L234-I244 HydrophobicContact CB-CD1 4.23Å; L234-I244 HydrophobicContact CD1-CD1 3.75Å; L235-I244 HydrophobicContact CD2-CB 4.24Å; L235-I244 HydrophobicContact CD2-CG2 4.27Å; C242-I244 PolarHBondContact O-N 3.01Å; C242-I244 PolarHBondContact SG-O 3.21Å; C242-I244 VanDerWaalsContact SG-O 3.34Å; I244-L246 HydrophobicContact CG2-CD2 3.71Å; I244-L246 HydrophobicContact CG2-CG 4.36Å
245	D	90	Very high	88.9	Confident	32 Å²	32	38.4 Å²	38.4	17%	0.171	21%	0.213	C	C	.	.			trans	-118.8	123.6	175.7	-167.8	-45.2	0	0	0	109.1	I146 F147 P148 S247	I146-D245 PolarHBondContact O-N 3.39Å; F147-D245 HydrophobicContact CD1-CB 3.6Å; F147-D245 HydrophobicContact CE1-CB 3.5Å; F147-D245 VanDerWaalsContact CE1-CB 3.5Å; F147-D245 VanDerWaalsContact CE1-CG 3.47Å; F147-D245 HydrophobicContact CG-CB 4.41Å; F147-D245 HydrophobicContact CZ-CB 4.23Å; P148-D245 WeakPolarHBondContact CD-O 3.27Å; D245-S247 WeakPolarHBondContact OD1-CB 3.25Å; D245-S247 PolarHBondContact OD1-N 2.9Å; D245-S247 PolarHBondContact OD1-OG 3.13Å
246	L	91.1	Very high	88.8	Confident	4 Å²	4	38.9 Å²	38.9	2%	0.021	22%	0.215	C	C	.	.			trans	-97.6	13.8	-175.5	-59	-174	0	0	0	113.2	P148 V151 L235 I244 R248 L249 F296 I297	P148-L246 HydrophobicContact CG-CD2 3.65Å; V151-L246 HydrophobicContact CG2-CD2 4.04Å; L235-L246 HydrophobicContact CD1-CD1 4.11Å; L235-L246 HydrophobicContact CD2-CD1 4.34Å; I244-L246 HydrophobicContact CG2-CD2 3.71Å; I244-L246 HydrophobicContact CG2-CG 4.36Å; L246-R248 VanDerWaalsContact C-N 3.26Å; L246-R248 PolarHBondContact O-N 2.6Å; L246-L249 HydrophobicContact CB-CB 4.21Å; L246-L249 HydrophobicContact CB-CD2 4.41Å; L246-L249 HydrophobicContact CD1-CD2 4.34Å; L246-L249 WeakPolarHBondContact O-CB 3.26Å; L246-L249 PolarHBondContact O-N 2.94Å; L246-L249 VanDerWaalsContact O-N 3.11Å; L246-F296 HydrophobicContact CB-CD1 4.32Å; L246-F296 HydrophobicContact CB-CE1 4.07Å; L246-F296 HydrophobicContact CD1-CD1 3.75Å; L246-F296 HydrophobicContact CD1-CE1 4.12Å; L246-F296 HydrophobicContact CG-CD1 4.07Å; L246-F296 HydrophobicContact CG-CE1 3.91Å; L246-I297 HydrophobicContact CD1-CG1 3.85Å
247	S	87.9	Confident	88.8	Confident	15 Å²	15	35 Å²	35	11%	0.105	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-35.3	176.9	46.4	0	0	0	0	113.9	D245 Q305 S306 I307	D245-S247 WeakPolarHBondContact OD1-CB 3.25Å; D245-S247 PolarHBondContact OD1-N 2.9Å; D245-S247 PolarHBondContact OD1-OG 3.13Å; S247-Q305 VanDerWaalsContact CB-O 3.29Å; S247-Q305 WeakPolarHBondContact CB-O 3.21Å; S247-S306 WeakPolarHBondContact O-CA 3.44Å; S247-S306 PolarHBondContact O-OG 3.24Å; S247-I307 PolarHBondContact O-N 2.94Å
248	R	89.4	Confident	88.5	Confident	92 Å²	92	31.8 Å²	31.8	35%	0.347	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	8.7	178.5	-57.2	-162	-177.2	-164.3	5.2	114.4	E128 F147 P148 L246 S250 I307	E128-R248 IonicContact OE1-CZ 3.1Å; E128-R248 IonicContact OE1-NH1 3.45Å; E128-R248 PolarHBondContact OE1-NH1 3.23Å; E128-R248 IonicContact OE2-NH1 3.5Å; E128-R248 PolarHBondContact OE2-NH1 3.2Å; F147-R248 HydrophobicContact CB-CB 4.48Å; F147-R248 HydrophobicContact CB-CG 4.24Å; P148-R248 CarbonylContact O-C 3.59Å; L246-R248 VanDerWaalsContact C-N 3.26Å; L246-R248 PolarHBondContact O-N 2.6Å; R248-S250 PolarHBondContact O-N 3.39Å; R248-I307 HydrophobicContact CG-CD1 3.89Å
249	L	92.9	Very high	88.1	Confident	2 Å²	2	28 Å²	28	1%	0.01	15%	0.145	C	C	.	.			trans	-68.7	115.7	-176.2	-173.8	69.3	0	0	0	111	P148 V151 L246 W251 I297 P310	P148-L249 WeakPolarHBondContact O-CA 3.27Å; V151-L249 HydrophobicContact CB-CD1 3.99Å; V151-L249 HydrophobicContact CG2-CD1 3.63Å; L246-L249 HydrophobicContact CB-CB 4.21Å; L246-L249 HydrophobicContact CB-CD2 4.41Å; L246-L249 HydrophobicContact CD1-CD2 4.34Å; L246-L249 WeakPolarHBondContact O-CB 3.26Å; L246-L249 PolarHBondContact O-N 2.94Å; L246-L249 VanDerWaalsContact O-N 3.11Å; L249-W251 VanDerWaalsContact CD1-O 3.3Å; L249-W251 WeakPolarHBondContact CD1-O 3.33Å; L249-I297 HydrophobicContact CD2-CD1 3.79Å; L249-I297 HydrophobicContact CD2-CG1 4.01Å; L249-P310 HydrophobicContact CD2-CB 4.03Å; L249-P310 HydrophobicContact CD2-CG 4.41Å; L249-P310 HydrophobicContact CG-CB 4.03Å; L249-P310 WeakPolarHBondContact O-CB 3.31Å
250	S	92.8	Very high	87.8	Confident	31 Å²	31	23.4 Å²	23.4	22%	0.217	11%	0.113	C	C	.	.			trans	-99.9	-32.5	173.9	-65.4	0	0	0	0	112.5	F149 R248 L311	F149-S250 VanDerWaalsContact CE2-CB 3.48Å; F149-S250 VanDerWaalsContact CE2-OG 3.23Å; F149-S250 WeakPolarHBondContact CE2-OG 3.32Å; F149-S250 PolarHBondContact O-N 2.95Å; R248-S250 PolarHBondContact O-N 3.39Å; S250-L311 PolarHBondContact O-N 3.22Å
251	W	95.6	Very high	87.4	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	128.9	-179.3	-77.4	98.4	0	0	0	113.4	M93 V117 F149 A150 V151 L249 L311 A313	M93-W251 HydrophobicContact CB-CH2 3.85Å; M93-W251 HydrophobicContact CB-CZ2 4.05Å; M93-W251 HydrophobicContact CE-CD2 4.2Å; M93-W251 HydrophobicContact CE-CE3 3.86Å; M93-W251 HydrophobicContact CE-CH2 3.82Å; M93-W251 HydrophobicContact CE-CZ2 4.13Å; M93-W251 HydrophobicContact CE-CZ3 3.68Å; M93-W251 HydrophobicContact CG-CH2 3.87Å; M93-W251 HydrophobicContact CG-CZ3 4.34Å; M93-W251 WeakPolarHBondContact O-CZ2 3.33Å; V117-W251 HydrophobicContact CG2-CB 4.13Å; V117-W251 HydrophobicContact CG2-CD2 4.27Å; V117-W251 HydrophobicContact CG2-CG 3.85Å; F149-W251 PolarHBondContact O-N 2.9Å; A150-W251 CarbonylContact C-O 3.57Å; A150-W251 VanDerWaalsContact CA-O 3.32Å; A150-W251 WeakPolarHBondContact CA-O 3.43Å; A150-W251 HydrophobicContact CB-CB 4.03Å; V151-W251 PolarHBondContact N-O 3.34Å; L249-W251 VanDerWaalsContact CD1-O 3.3Å; L249-W251 WeakPolarHBondContact CD1-O 3.33Å; W251-L311 WeakPolarHBondContact CA-O 3.23Å; W251-L311 HydrophobicContact CD2-CB 4.04Å; W251-L311 HydrophobicContact CE3-CB 3.66Å; W251-L311 HydrophobicContact CH2-CB 3.84Å; W251-L311 HydrophobicContact CH2-CD1 3.78Å; W251-L311 HydrophobicContact CH2-CG 4.46Å; W251-L311 HydrophobicContact CZ2-CB 4.2Å; W251-L311 HydrophobicContact CZ2-CD1 3.58Å; W251-L311 HydrophobicContact CZ3-CB 3.54Å; W251-L311 HydrophobicContact CZ3-CD1 4.35Å; W251-A313 HydrophobicContact CE3-CB 4.15Å; W251-A313 HydrophobicContact CZ3-CB 3.9Å
252	L	95.3	Very high	86.4	Confident	1 Å²	1	13 Å²	13	1%	0.005	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	106.3	160.7	178.7	66.1	0	0	0	109.1	V151 L153 V254 F294 I297 L311 V312 A313	V151-L252 HydrophobicContact CB-CD1 4.04Å; V151-L252 HydrophobicContact CG1-CD1 3.88Å; V151-L252 WeakPolarHBondContact O-CA 3.29Å; L153-L252 HydrophobicContact CD1-CD1 4.01Å; L153-L252 HydrophobicContact CG-CD1 4.11Å; L252-V254 HydrophobicContact CG-CG2 4.43Å; L252-F294 HydrophobicContact CD2-CD1 4.2Å; L252-F294 HydrophobicContact CD2-CE1 3.48Å; L252-F294 VanDerWaalsContact CD2-CE1 3.48Å; L252-F294 HydrophobicContact CD2-CZ 3.69Å; L252-I297 HydrophobicContact CD2-CD1 3.92Å; L252-L311 PolarHBondContact N-O 3.39Å; L252-V312 HydrophobicContact CB-CG2 4.29Å; L252-V312 HydrophobicContact CD2-CG2 4.44Å; L252-V312 WeakPolarHBondContact O-CA 3.41Å; L252-A313 PolarHBondContact O-N 3.43Å
253	V	96.5	Very high	84.7	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134.5	175.1	-176.6	0	0	0	0	109.1	Y113 V117 V151 I152 L153 A313 F315	Y113-V253 HydrophobicContact CD1-CG1 4.03Å; Y113-V253 HydrophobicContact CD2-CG1 3.78Å; Y113-V253 HydrophobicContact CD2-CG2 4.37Å; Y113-V253 HydrophobicContact CE1-CG1 4.31Å; Y113-V253 HydrophobicContact CE2-CG1 4.11Å; Y113-V253 HydrophobicContact CG-CG1 3.77Å; V117-V253 HydrophobicContact CG2-CG2 4.29Å; V151-V253 PolarHBondContact O-N 3.23Å; I152-V253 CarbonylContact C-O 3.57Å; I152-V253 WeakPolarHBondContact CA-O 3.45Å; I152-V253 HydrophobicContact CB-CB 4.38Å; I152-V253 HydrophobicContact CG1-CB 4.06Å; I152-V253 HydrophobicContact CG1-CG2 4.35Å; I152-V253 HydrophobicContact CG2-CB 4.14Å; I152-V253 HydrophobicContact CG2-CG1 4.22Å; L153-V253 PolarHBondContact N-O 3.16Å; V253-A313 CarbonylContact C-O 3.57Å; V253-A313 WeakPolarHBondContact CA-O 3.48Å; V253-A313 HydrophobicContact CG2-CB 4.32Å; V253-F315 HydrophobicContact CG1-CD2 4.33Å
254	V	94.1	Very high	82.8	Confident	4 Å²	4	14.9 Å²	14.9	2%	0.024	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	104.5	175	-174.5	0	0	0	0	108.6	L153 L252 C257 M260 A313 L314 F315	L153-V254 HydrophobicContact CD1-CG2 4.35Å; L252-V254 HydrophobicContact CG-CG2 4.43Å; V254-C257 HydrophobicContact CB-CB 4.27Å; V254-C257 HydrophobicContact CG1-CB 3.75Å; V254-M260 HydrophobicContact CG1-CB 4.34Å; V254-M260 HydrophobicContact CG1-CE 3.41Å; V254-M260 VanDerWaalsContact CG1-CE 3.41Å; V254-M260 HydrophobicContact CG1-CG 4.49Å; V254-M260 HydrophobicContact CG1-SD 3.55Å; V254-M260 VanDerWaalsContact CG1-SD 3.55Å; V254-A313 PolarHBondContact N-O 2.8Å; V254-L314 HydrophobicContact CB-CD2 3.66Å; V254-L314 HydrophobicContact CG1-CD2 4.47Å; V254-L314 HydrophobicContact CG2-CD2 3.74Å; V254-F315 PolarHBondContact O-N 3.17Å
255	D	92.7	Very high	80.3	Confident	6 Å²	6	18.6 Å²	18.6	3%	0.032	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	148.3	174.7	-162.8	14	0	0	0	110.9	Y113 L153 P155 I163 C257 F315	Y113-D255 HydrophobicContact CE1-CB 4.45Å; L153-D255 PolarHBondContact O-N 3.34Å; P155-D255 WeakPolarHBondContact CD-O 3.33Å; I163-D255 HydrophobicContact CD1-CB 4.24Å; D255-C257 VanDerWaalsContact C-N 3.27Å; D255-C257 PolarHBondContact O-N 2.84Å; D255-F315 CarbonylContact C-O 3.53Å
256	E	87.7	Confident	77.9	Confident	20 Å²	20	19.8 Å²	19.8	9%	0.093	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	49	-166.7	-63.9	-167.6	-179.4	0	0	112.6	P155 L159 D258 K259 M260 F315 R449	P155-E256 HydrophobicContact CG-CB 3.72Å; P155-E256 HydrophobicContact CG-CG 4.35Å; P155-E256 WeakPolarHBondContact CG-OE2 3.48Å; L159-E256 HydrophobicContact CD2-CB 4.45Å; L159-E256 HydrophobicContact CD2-CG 3.8Å; E256-D258 VanDerWaalsContact C-OD1 3.31Å; E256-D258 PolarHBondContact O-N 2.92Å; E256-K259 PolarHBondContact O-N 2.91Å; E256-M260 PolarHBondContact O-N 3.16Å; E256-F315 WeakPolarHBondContact CA-O 3.34Å; E256-F315 PolarHBondContact N-O 3.42Å; E256-R449 WeakPolarHBondContact OE2-CD 3.32Å
257	C	87.3	Confident	75.5	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.7	-26.1	-172.5	72.5	0	0	0	0	114.2	V254 D255 K259 M260 L261 L314 F315	V254-C257 HydrophobicContact CB-CB 4.27Å; V254-C257 HydrophobicContact CG1-CB 3.75Å; D255-C257 VanDerWaalsContact C-N 3.27Å; D255-C257 PolarHBondContact O-N 2.84Å; C257-K259 VanDerWaalsContact C-N 3.28Å; C257-K259 PolarHBondContact O-N 2.91Å; C257-M260 PolarHBondContact O-N 3.28Å; C257-L261 HydrophobicContact CB-CD1 4.19Å; C257-L261 VanDerWaalsContact O-CB 3.23Å; C257-L261 WeakPolarHBondContact O-CB 3.45Å; C257-L261 VanDerWaalsContact O-CG 3.31Å; C257-L261 WeakPolarHBondContact O-CG 3.45Å; C257-L261 PolarHBondContact O-N 2.71Å; C257-L314 HydrophobicContact CB-CB 4.19Å; C257-L314 HydrophobicContact CB-CD2 4.45Å; C257-F315 PolarHBondContact N-O 3.42Å
258	D	79.6	Confident	73.1	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.011	13%	0.132	C	C	.	.	H	α-helix	trans	-57.1	-42.7	172.6	60.3	-37.6	0	0	0	111.5	E256 E262 S316 T318 H473	E256-D258 VanDerWaalsContact C-OD1 3.31Å; E256-D258 PolarHBondContact O-N 2.92Å; D258-E262 WeakPolarHBondContact O-CB 3.47Å; D258-E262 WeakPolarHBondContact O-CG 3.36Å; D258-E262 PolarHBondContact O-N 2.79Å; D258-S316 PolarHBondContact OD1-OG 3.16Å; D258-T318 WeakPolarHBondContact CB-O 3.39Å; D258-T318 PolarHBondContact OD2-OG1 2.85Å; D258-H473 IonicContact OD2-CE1 2.91Å; D258-H473 PolarHBondContact OD2-CE1 2.88Å; D258-H473 IonicContact OD2-NE2 3.6Å
259	K	74.2	Confident	70.4	Confident	4 Å²	4	26 Å²	26	2%	0.017	14%	0.141	C	C	.	.	H	α-helix	trans	-71.4	-33.4	178.7	-62.5	-53.2	178.1	172.9	0	113.3	E256 C257 E262 F286 R449 E470	E256-K259 PolarHBondContact O-N 2.91Å; C257-K259 VanDerWaalsContact C-N 3.28Å; C257-K259 PolarHBondContact O-N 2.91Å; K259-E262 WeakPolarHBondContact CD-OE1 3.33Å; K259-E262 WeakPolarHBondContact CE-OE1 3.33Å; K259-E262 IonicContact NZ-OE1 2.75Å; K259-E262 PolarHBondContact NZ-OE1 3.23Å; K259-F286 WeakPolarHBondContact O-CD2 3.41Å; K259-R449 VanDerWaalsContact CE-NH2 3.27Å; K259-E470 VanDerWaalsContact NZ-CG 3.26Å; K259-E470 IonicContact NZ-OE1 2.69Å; K259-E470 PolarHBondContact NZ-OE1 2.81Å
260	M	70.8	Confident	67.6	Low	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-79.2	-32.9	178.7	-68.3	-176	39.1	0	0	113.2	L153 P155 P228 V254 E256 C257 F286 H287 V290	L153-M260 HydrophobicContact CB-CE 3.65Å; L153-M260 HydrophobicContact CB-SD 4Å; L153-M260 HydrophobicContact CD1-CE 3.77Å; L153-M260 HydrophobicContact CG-CE 4.36Å; P155-M260 HydrophobicContact CB-CG 4.49Å; P228-M260 HydrophobicContact CB-CE 4.33Å; P228-M260 HydrophobicContact CG-CE 3.29Å; P228-M260 HydrophobicContact CG-CG 4.27Å; P228-M260 HydrophobicContact CG-SD 3.72Å; V254-M260 HydrophobicContact CG1-CB 4.34Å; V254-M260 HydrophobicContact CG1-CE 3.41Å; V254-M260 VanDerWaalsContact CG1-CE 3.41Å; V254-M260 HydrophobicContact CG1-CG 4.49Å; V254-M260 HydrophobicContact CG1-SD 3.55Å; V254-M260 VanDerWaalsContact CG1-SD 3.55Å; E256-M260 PolarHBondContact O-N 3.16Å; C257-M260 PolarHBondContact O-N 3.28Å; M260-F286 HydrophobicContact CB-CB 4.44Å; M260-F286 HydrophobicContact CG-CD1 4.5Å; M260-F286 CarbonylContact O-C 3.55Å; M260-F286 VanDerWaalsContact O-C 3.32Å; M260-F286 WeakPolarHBondContact O-CB 3.29Å; M260-H287 PolarHBondContact O-N 3.39Å; M260-V290 HydrophobicContact CB-CG2 4.35Å; M260-V290 HydrophobicContact CE-CG1 4.48Å; M260-V290 HydrophobicContact CE-CG2 3.48Å; M260-V290 VanDerWaalsContact CE-CG2 3.48Å
261	L	68.7	Low	64.8	Low	7 Å²	7	35.2 Å²	35.2	4%	0.037	19%	0.188	C	C	.	.	S	Bend	trans	-101.1	11.1	-178.6	-58.3	172.2	0	0	0	112.2	C257 V263 L314 V323 W326	C257-L261 HydrophobicContact CB-CD1 4.19Å; C257-L261 VanDerWaalsContact O-CB 3.23Å; C257-L261 WeakPolarHBondContact O-CB 3.45Å; C257-L261 VanDerWaalsContact O-CG 3.31Å; C257-L261 WeakPolarHBondContact O-CG 3.45Å; C257-L261 PolarHBondContact O-N 2.71Å; L261-V263 WeakPolarHBondContact O-CG2 3.47Å; L261-V263 PolarHBondContact O-N 3.29Å; L261-L314 HydrophobicContact CD1-CD1 4.43Å; L261-V323 HydrophobicContact CB-CG2 4.33Å; L261-V323 HydrophobicContact CD1-CG1 3.95Å; L261-W326 HydrophobicContact CD1-CD2 4.19Å; L261-W326 HydrophobicContact CD1-CE3 3.41Å; L261-W326 VanDerWaalsContact CD1-CE3 3.41Å; L261-W326 HydrophobicContact CD1-CH2 4.2Å; L261-W326 HydrophobicContact CD1-CZ3 3.43Å; L261-W326 VanDerWaalsContact CD1-CZ3 3.43Å; L261-W326 HydrophobicContact CD2-CD2 3.93Å; L261-W326 HydrophobicContact CD2-CE3 3.85Å; L261-W326 HydrophobicContact CD2-CH2 3.58Å; L261-W326 HydrophobicContact CD2-CZ2 3.65Å; L261-W326 HydrophobicContact CD2-CZ3 3.68Å; L261-W326 HydrophobicContact CG-CE3 4.18Å; L261-W326 HydrophobicContact CG-CZ3 4.19Å
262	E	60.8	Low	61.7	Low	33 Å²	33	42.3 Å²	42.3	15%	0.154	23%	0.226	C	C	.	.			trans	-60.6	89	164.6	-101.9	-173.6	-141.2	0	0	107.5	D258 K259 R552 R556	D258-E262 WeakPolarHBondContact O-CB 3.47Å; D258-E262 WeakPolarHBondContact O-CG 3.36Å; D258-E262 PolarHBondContact O-N 2.79Å; K259-E262 WeakPolarHBondContact CD-OE1 3.33Å; K259-E262 WeakPolarHBondContact CE-OE1 3.33Å; K259-E262 IonicContact NZ-OE1 2.75Å; K259-E262 PolarHBondContact NZ-OE1 3.23Å; E262-R552 VanDerWaalsContact O-CZ 3.3Å; E262-R552 PolarHBondContact O-NH1 3.1Å; E262-R552 PolarHBondContact O-NH2 3.23Å; E262-R552 IonicContact OE2-NH1 2.7Å; E262-R556 VanDerWaalsContact CB-NH2 3.34Å; E262-R556 IonicContact OE1-NH1 3.94Å; E262-R556 IonicContact OE2-CZ 3.78Å; E262-R556 IonicContact OE2-NH1 2.89Å; E262-R556 PolarHBondContact OE2-NH1 2.96Å; E262-R556 IonicContact OE2-NH2 3.58Å
263	V	51.3	Low	58.8	Low	19 Å²	19	47.4 Å²	47.4	12%	0.115	26%	0.257	C	S	.	.			trans	-88.1	145.6	176.8	-165.4	0	0	0	0	108.7	L261 F265 H287 R556	L261-V263 WeakPolarHBondContact O-CG2 3.47Å; L261-V263 PolarHBondContact O-N 3.29Å; V263-F265 HydrophobicContact CB-CD1 3.85Å; V263-F265 HydrophobicContact CB-CD2 3.4Å; V263-F265 HydrophobicContact CB-CE1 3.78Å; V263-F265 HydrophobicContact CB-CE2 3.31Å; V263-F265 HydrophobicContact CB-CG 3.64Å; V263-F265 HydrophobicContact CB-CZ 3.49Å; V263-F265 VanDerWaalsContact CB-CZ 3.49Å; V263-F265 HydrophobicContact CG1-CB 4.33Å; V263-F265 HydrophobicContact CG1-CD1 3.43Å; V263-F265 VanDerWaalsContact CG1-CD1 3.43Å; V263-F265 HydrophobicContact CG1-CD2 3.95Å; V263-F265 HydrophobicContact CG1-CE1 3.54Å; V263-F265 HydrophobicContact CG1-CE2 4.04Å; V263-F265 HydrophobicContact CG1-CG 3.61Å; V263-F265 HydrophobicContact CG1-CZ 3.83Å; V263-F265 HydrophobicContact CG2-CD1 4.3Å; V263-F265 HydrophobicContact CG2-CD2 3.91Å; V263-F265 HydrophobicContact CG2-CE1 3.7Å; V263-F265 HydrophobicContact CG2-CE2 3.23Å; V263-F265 HydrophobicContact CG2-CG 4.37Å; V263-F265 HydrophobicContact CG2-CZ 3.08Å; V263-F265 PolarHBondContact O-N 2.88Å; V263-H287 HydrophobicContact CB-CB 4.41Å; V263-H287 HydrophobicContact CG1-CB 4.18Å; V263-H287 HydrophobicContact CG2-CB 3.81Å; V263-R556 PolarHBondContact O-NH2 3.27Å
264	N	47.7	Very low	55.7	Low	37 Å²	37	55.6 Å²	55.6	20%	0.198	30%	0.296	C	S	.	.			trans	-84.5	72.9	155.5	-70.4	2.6	0	0	0	106.5	N266 D267 R552	N264-N266 PolarHBondContact O-N 2.93Å; N264-D267 HydrophobicContact CB-CB 4.25Å; N264-D267 WeakPolarHBondContact CB-OD2 3.28Å; N264-D267 PolarHBondContact ND2-OD2 3.49Å; N264-D267 PolarHBondContact O-N 2.8Å; N264-D267 VanDerWaalsContact O-N 3.14Å; N264-R552 PolarHBondContact OD1-NE 2.65Å; N264-R552 PolarHBondContact OD1-NH2 3.24Å
265	F	40.6	Very low	52.9	Low	81 Å²	81	64 Å²	64	36%	0.355	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-2.8	-176.9	-80.9	-61.6	0	0	0	113.7	V263 W326	V263-F265 HydrophobicContact CB-CD1 3.85Å; V263-F265 HydrophobicContact CB-CD2 3.4Å; V263-F265 HydrophobicContact CB-CE1 3.78Å; V263-F265 HydrophobicContact CB-CE2 3.31Å; V263-F265 HydrophobicContact CB-CG 3.64Å; V263-F265 HydrophobicContact CB-CZ 3.49Å; V263-F265 VanDerWaalsContact CB-CZ 3.49Å; V263-F265 HydrophobicContact CG1-CB 4.33Å; V263-F265 HydrophobicContact CG1-CD1 3.43Å; V263-F265 VanDerWaalsContact CG1-CD1 3.43Å; V263-F265 HydrophobicContact CG1-CD2 3.95Å; V263-F265 HydrophobicContact CG1-CE1 3.54Å; V263-F265 HydrophobicContact CG1-CE2 4.04Å; V263-F265 HydrophobicContact CG1-CG 3.61Å; V263-F265 HydrophobicContact CG1-CZ 3.83Å; V263-F265 HydrophobicContact CG2-CD1 4.3Å; V263-F265 HydrophobicContact CG2-CD2 3.91Å; V263-F265 HydrophobicContact CG2-CE1 3.7Å; V263-F265 HydrophobicContact CG2-CE2 3.23Å; V263-F265 HydrophobicContact CG2-CG 4.37Å; V263-F265 HydrophobicContact CG2-CZ 3.08Å; V263-F265 PolarHBondContact O-N 2.88Å; F265-W326 HydrophobicContact CZ-CB 4.18Å; F265-W326 AromaticContact CZ-CD1 3.63Å; F265-W326 HydrophobicContact CZ-CG 4.2Å
266	N	38	Very low	49.9	Very low	57 Å²	57	66.9 Å²	66.9	31%	0.305	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-0.3	179.8	-51	-39.2	0	0	0	113.9	N264 I268 S269 Y559	N264-N266 PolarHBondContact O-N 2.93Å; N266-I268 VanDerWaalsContact C-N 3.26Å; N266-S269 PolarHBondContact O-OG 3.26Å; N266-Y559 HydrophobicContact CB-CD2 4.09Å; N266-Y559 HydrophobicContact CB-CE1 4.02Å; N266-Y559 HydrophobicContact CB-CE2 3.45Å; N266-Y559 VanDerWaalsContact CB-CE2 3.45Å; N266-Y559 VanDerWaalsContact CB-CZ 3.41Å; N266-Y559 VanDerWaalsContact CG-OH 3.27Å; N266-Y559 WeakPolarHBondContact ND2-CD1 3.34Å; N266-Y559 WeakPolarHBondContact ND2-CE1 3.35Å; N266-Y559 PolarHBondContact OD1-OH 3.35Å
267	D	40.9	Very low	47.2	Very low	52 Å²	52	73.5 Å²	73.5	28%	0.278	40%	0.402	S	S	.	.	S	Bend	trans	-79.4	-13.2	170	-71.4	-21.7	0	0	0	111.4	N264 P283	N264-D267 HydrophobicContact CB-CB 4.25Å; N264-D267 WeakPolarHBondContact CB-OD2 3.28Å; N264-D267 PolarHBondContact ND2-OD2 3.49Å; N264-D267 PolarHBondContact O-N 2.8Å; N264-D267 VanDerWaalsContact O-N 3.14Å; D267-P283 HydrophobicContact CB-CG 3.99Å; D267-P283 VanDerWaalsContact OD2-CB 3.31Å; D267-P283 WeakPolarHBondContact OD2-CB 3.17Å; D267-P283 WeakPolarHBondContact OD2-CG 3.43Å
268	I	38.7	Very low	44.5	Very low	113 Å²	113	83 Å²	83	58%	0.579	44%	0.443	S	S	*	.	S	Bend	trans	-83.4	-22.5	178.2	-59.4	170	0	0	0	111.6	N266 F270 S271	N266-I268 VanDerWaalsContact C-N 3.26Å; I268-F270 VanDerWaalsContact C-N 3.33Å; I268-F270 PolarHBondContact O-N 3.07Å; I268-S271 PolarHBondContact O-OG 3.2Å
269	S	32.7	Very low	42.3	Very low	76 Å²	76	89.1 Å²	89.1	53%	0.531	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-3.2	179.4	61.4	0	0	0	0	114.6	N266	N266-S269 PolarHBondContact O-OG 3.26Å
270	F	34.4	Very low	40.2	Very low	145 Å²	145	97.5 Å²	97.5	64%	0.636	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	0.6	177.2	-90.2	-79.6	0	0	0	114	I268 N272	I268-F270 VanDerWaalsContact C-N 3.33Å; I268-F270 PolarHBondContact O-N 3.07Å; F270-N272 VanDerWaalsContact C-N 3.31Å
271	S	33.4	Very low	38.4	Very low	83 Å²	83	105.3 Å²	105.3	58%	0.58	55%	0.548	S	S	*	.	S	Bend	trans	-85.3	2.9	175.2	54.8	0	0	0	0	114.5	I268	I268-S271 PolarHBondContact O-OG 3.2Å
272	N	30.5	Very low	36.7	Very low	149 Å²	149	114.7 Å²	114.7	80%	0.797	58%	0.583	S	S	*	*			trans	-100.2	30.3	176.2	-73.5	7.9	0	0	0	113.2	F270	F270-N272 VanDerWaalsContact C-N 3.31Å
273	T	34.4	Very low	35.4	Very low	108 Å²	108	115.4 Å²	115.4	66%	0.663	59%	0.59	S	S	*	*			trans	-99.7	102.6	160	48.5	0	0	0	0	108.2
274	E	31.7	Very low	34.9	Very low	172 Å²	172	125.5 Å²	125.5	80%	0.804	63%	0.626	S	S	*	*			trans	-43.3	148.5	150.3	-62.9	173.9	163.5	0	0	108.6
275	H	35.5	Very low	34.9	Very low	179 Å²	179	124 Å²	124	83%	0.829	62%	0.619	S	S	*	*	S	Bend	trans	103.5	102.2	-173.9	-57.3	76.6	0	0	0	113.8	N277	H275-N277 PolarHBondContact O-N 3.43Å
276	G	28.7	Very low	35.6	Very low	68 Å²	68	122.3 Å²	122.3	70%	0.701	61%	0.612	S	S	*	*			trans	-61	122.7	-175.3	0	0	0	0	0	113.6
277	N	32	Very low	36.9	Very low	158 Å²	158	121.4 Å²	121.4	85%	0.845	61%	0.606	S	S	*	*			trans	-159.8	100.4	134.6	-95.6	-27.8	0	0	0	108.4	H275 T279	H275-N277 PolarHBondContact O-N 3.43Å; N277-T279 VanDerWaalsContact C-N 3.3Å; N277-T279 PolarHBondContact O-N 2.95Å
278	K	30.2	Very low	38	Very low	201 Å²	201	123.4 Å²	123.4	87%	0.874	62%	0.616	S	S	*	*			trans	-76.1	72.1	-175.9	-71.8	177.4	178.8	167.9	0	111.3	K280	K278-K280 PolarHBondContact O-N 3.45Å; K278-K280 VanDerWaalsContact O-N 3.11Å
279	T	32.1	Very low	39.5	Very low	130 Å²	130	120.1 Å²	120.1	80%	0.798	60%	0.599	S	S	*	*			trans	-74.7	97.7	160.6	52.8	0	0	0	0	108.5	N277 Y281	N277-T279 VanDerWaalsContact C-N 3.3Å; N277-T279 PolarHBondContact O-N 2.95Å; T279-Y281 VanDerWaalsContact C-N 3.27Å; T279-Y281 PolarHBondContact O-N 3.41Å
280	K	31.9	Very low	41.6	Very low	180 Å²	180	116.6 Å²	116.6	78%	0.783	57%	0.574	S	S	*	*			trans	-64.1	72.9	-179.2	-82.6	177.3	174.7	168.1	0	112.5	K278 R282	K278-K280 PolarHBondContact O-N 3.45Å; K278-K280 VanDerWaalsContact O-N 3.11Å; K280-R282 PolarHBondContact O-N 2.82Å
281	Y	32.5	Very low	43.7	Very low	164 Å²	164	110.6 Å²	110.6	64%	0.643	55%	0.551	S	S	*	*			trans	-93.1	82.7	160.2	-134.4	-91.1	0	0	0	108.7	T279 P283	T279-Y281 VanDerWaalsContact C-N 3.27Å; T279-Y281 PolarHBondContact O-N 3.41Å; Y281-P283 VanDerWaalsContact O-CD 3.26Å; Y281-P283 WeakPolarHBondContact O-CD 3.38Å
282	R	32.9	Very low	46.1	Very low	204 Å²	204	108.1 Å²	108.1	77%	0.77	53%	0.533	S	S	*	.			trans	-70.1	116.6	174.5	-81.7	-174.9	175.3	178.5	-2.3	109.1	K280 R284	K280-R282 PolarHBondContact O-N 2.82Å; R282-R284 PolarHBondContact O-N 2.92Å; R282-R284 VanDerWaalsContact O-N 3.1Å
283	P	32.9	Very low	48.8	Very low	47 Å²	47	101.1 Å²	101.1	31%	0.305	50%	0.495	S	S	.	.			trans	-64.7	114.9	174.1	-13.2	27.6	0	0	0	108.9	D267 Y281 G285 N288	D267-P283 HydrophobicContact CB-CG 3.99Å; D267-P283 VanDerWaalsContact OD2-CB 3.31Å; D267-P283 WeakPolarHBondContact OD2-CB 3.17Å; D267-P283 WeakPolarHBondContact OD2-CG 3.43Å; Y281-P283 VanDerWaalsContact O-CD 3.26Å; Y281-P283 WeakPolarHBondContact O-CD 3.38Å; P283-G285 PolarHBondContact O-N 3.24Å; P283-N288 PolarHBondContact O-ND2 3.15Å
284	R	41.4	Very low	51.2	Low	231 Å²	231	96 Å²	96	87%	0.872	46%	0.464	S	S	*	.			trans	-79.3	57.7	177.3	-61.4	-173.9	-149.1	168.3	5.9	111.3	R282	R282-R284 PolarHBondContact O-N 2.92Å; R282-R284 VanDerWaalsContact O-N 3.1Å
285	G	48.6	Very low	53.6	Low	5 Å²	5	92.3 Å²	92.3	5%	0.052	45%	0.447	C	S	.	.			trans	-71.6	143.6	170.7	0	0	0	0	0	111.1	P283 H287 N288	P283-G285 PolarHBondContact O-N 3.24Å; G285-H287 PolarHBondContact O-N 3.49Å; G285-N288 WeakPolarHBondContact O-CB 3.41Å; G285-N288 PolarHBondContact O-N 3.47Å
286	F	55.2	Low	56	Low	47 Å²	47	85.6 Å²	85.6	21%	0.206	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.7	172.8	-81	-85.2	0	0	0	112.1	K259 M260 N288 Q289 V290	K259-F286 WeakPolarHBondContact O-CD2 3.41Å; M260-F286 HydrophobicContact CB-CB 4.44Å; M260-F286 HydrophobicContact CG-CD1 4.5Å; M260-F286 CarbonylContact O-C 3.55Å; M260-F286 VanDerWaalsContact O-C 3.32Å; M260-F286 WeakPolarHBondContact O-CB 3.29Å; F286-N288 PolarHBondContact O-N 3.08Å; F286-Q289 CarbonylContact O-C 3.56Å; F286-Q289 WeakPolarHBondContact O-CA 3.29Å; F286-Q289 WeakPolarHBondContact O-CB 3.46Å; F286-Q289 PolarHBondContact O-N 3.23Å; F286-V290 WeakPolarHBondContact O-CG2 3.3Å; F286-V290 PolarHBondContact O-N 2.92Å
287	H	63.4	Low	58.7	Low	37 Å²	37	82.5 Å²	82.5	17%	0.171	38%	0.382	C	S	.	.	H	α-helix	trans	-50.2	-42.4	170.5	-173	-89.8	0	0	0	112.9	M260 V263 G285 Q289 V290 A291 W326	M260-H287 PolarHBondContact O-N 3.39Å; V263-H287 HydrophobicContact CB-CB 4.41Å; V263-H287 HydrophobicContact CG1-CB 4.18Å; V263-H287 HydrophobicContact CG2-CB 3.81Å; G285-H287 PolarHBondContact O-N 3.49Å; H287-Q289 PolarHBondContact O-N 3.09Å; H287-V290 PolarHBondContact O-N 3.17Å; H287-A291 VanDerWaalsContact O-CB 3.28Å; H287-A291 WeakPolarHBondContact O-CB 3.5Å; H287-A291 PolarHBondContact O-N 3.33Å; H287-W326 AromaticContact CD2-NE1 3.64Å; H287-W326 AromaticContact NE2-NE1 3.32Å; H287-W326 PolarHBondContact NE2-NE1 3.05Å
288	N	65.1	Low	61.1	Low	95 Å²	95	77.1 Å²	77.1	51%	0.508	35%	0.352	S	S	.	.	H	α-helix	trans	-70.5	-14.5	178.4	-64.6	-13.1	0	0	0	113	P283 G285 F286 P292	P283-N288 PolarHBondContact O-ND2 3.15Å; G285-N288 WeakPolarHBondContact O-CB 3.41Å; G285-N288 PolarHBondContact O-N 3.47Å; F286-N288 PolarHBondContact O-N 3.08Å; N288-P292 WeakPolarHBondContact O-CD 3.49Å; N288-P292 WeakPolarHBondContact O-CG 3.29Å
289	Q	70.5	Confident	63.7	Low	44 Å²	44	74 Å²	74	21%	0.206	34%	0.339	C	S	.	.	H	α-helix	trans	-92.9	-31.3	174.2	-56.3	175.1	17.4	0	0	111.7	P228 S232 F286 H287	P228-Q289 HydrophobicContact CB-CB 3.88Å; S232-Q289 WeakPolarHBondContact CB-O 3.36Å; F286-Q289 CarbonylContact O-C 3.56Å; F286-Q289 WeakPolarHBondContact O-CA 3.29Å; F286-Q289 WeakPolarHBondContact O-CB 3.46Å; F286-Q289 PolarHBondContact O-N 3.23Å; H287-Q289 PolarHBondContact O-N 3.09Å
290	V	77.2	Confident	66.1	Low	2 Å²	2	68.3 Å²	68.3	1%	0.012	30%	0.304	C	S	.	.	H	α-helix	trans	-83.4	-34.4	178.2	-166.8	0	0	0	0	111.5	L153 P228 M260 F286 H287 I293 F294	L153-V290 HydrophobicContact CD1-CG1 4.38Å; P228-V290 HydrophobicContact CB-CG2 4.05Å; P228-V290 HydrophobicContact CG-CG2 4.22Å; M260-V290 HydrophobicContact CB-CG2 4.35Å; M260-V290 HydrophobicContact CE-CG1 4.48Å; M260-V290 HydrophobicContact CE-CG2 3.48Å; M260-V290 VanDerWaalsContact CE-CG2 3.48Å; F286-V290 WeakPolarHBondContact O-CG2 3.3Å; F286-V290 PolarHBondContact O-N 2.92Å; H287-V290 PolarHBondContact O-N 3.17Å; V290-I293 WeakPolarHBondContact O-CA 3.27Å; V290-I293 VanDerWaalsContact O-CB 3.31Å; V290-I293 WeakPolarHBondContact O-CB 3.46Å; V290-I293 PolarHBondContact O-N 3.11Å; V290-F294 HydrophobicContact CG1-CD2 3.62Å; V290-F294 HydrophobicContact CG1-CE2 3.31Å; V290-F294 HydrophobicContact CG1-CZ 4.37Å; V290-F294 PolarHBondContact O-N 2.59Å; V290-F294 VanDerWaalsContact O-N 3.14Å
291	A	78.1	Confident	68.3	Low	18 Å²	18	61.4 Å²	61.4	15%	0.149	28%	0.276	C	S	.	.	H	α-helix	trans	-53.3	-46.5	178.5	0	0	0	0	0	113.2	H287 I293 F294 E295	H287-A291 VanDerWaalsContact O-CB 3.28Å; H287-A291 WeakPolarHBondContact O-CB 3.5Å; H287-A291 PolarHBondContact O-N 3.33Å; A291-I293 PolarHBondContact O-N 3.32Å; A291-F294 PolarHBondContact O-N 3.18Å; A291-F294 VanDerWaalsContact O-N 3.11Å; A291-E295 WeakPolarHBondContact O-CG 3.37Å; A291-E295 PolarHBondContact O-N 2.73Å
292	P	83.3	Confident	70.4	Confident	32 Å²	32	58.4 Å²	58.4	21%	0.208	27%	0.27	C	S	.	.	H	α-helix	trans	-59.8	-29.6	175.2	-25.6	34.5	0	0	0	114.3	N288 F296	N288-P292 WeakPolarHBondContact O-CD 3.49Å; N288-P292 WeakPolarHBondContact O-CG 3.29Å; P292-F296 WeakPolarHBondContact O-CB 3.35Å; P292-F296 PolarHBondContact O-N 2.81Å
293	I	86.2	Confident	72.5	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-70.1	-46.7	177	-58.1	167.6	0	0	0	109.2	L153 P228 L231 L235 V290 A291 F296 I297	L153-I293 HydrophobicContact CD1-CD1 3.81Å; L153-I293 HydrophobicContact CD2-CD1 4.21Å; P228-I293 HydrophobicContact CB-CD1 4.35Å; L231-I293 HydrophobicContact CB-CD1 4.23Å; L231-I293 HydrophobicContact CD2-CD1 3.99Å; L231-I293 HydrophobicContact CD2-CG1 4.27Å; L231-I293 HydrophobicContact CD2-CG2 4.15Å; L231-I293 HydrophobicContact CG-CD1 4.29Å; L231-I293 HydrophobicContact CG-CG1 4.33Å; L235-I293 HydrophobicContact CD1-CB 4.31Å; L235-I293 HydrophobicContact CD1-CG1 4.13Å; L235-I293 HydrophobicContact CD1-CG2 4.14Å; V290-I293 WeakPolarHBondContact O-CA 3.27Å; V290-I293 VanDerWaalsContact O-CB 3.31Å; V290-I293 WeakPolarHBondContact O-CB 3.46Å; V290-I293 PolarHBondContact O-N 3.11Å; A291-I293 PolarHBondContact O-N 3.32Å; I293-F296 PolarHBondContact O-N 3.24Å; I293-I297 HydrophobicContact CG2-CD1 4.17Å; I293-I297 WeakPolarHBondContact O-CG1 3.46Å; I293-I297 PolarHBondContact O-N 3.23Å
294	F	84.9	Confident	74.5	Confident	1 Å²	1	53.4 Å²	53.4	0%	0.004	27%	0.274	C	S	.	.	H	α-helix	trans	-64.9	-41.3	175.8	-77.2	-68.4	0	0	0	112.6	L252 V290 A291 F296 I297 Q298 V312 W326 L331 L334 L335	L252-F294 HydrophobicContact CD2-CD1 4.2Å; L252-F294 HydrophobicContact CD2-CE1 3.48Å; L252-F294 VanDerWaalsContact CD2-CE1 3.48Å; L252-F294 HydrophobicContact CD2-CZ 3.69Å; V290-F294 HydrophobicContact CG1-CD2 3.62Å; V290-F294 HydrophobicContact CG1-CE2 3.31Å; V290-F294 HydrophobicContact CG1-CZ 4.37Å; V290-F294 PolarHBondContact O-N 2.59Å; V290-F294 VanDerWaalsContact O-N 3.14Å; A291-F294 PolarHBondContact O-N 3.18Å; A291-F294 VanDerWaalsContact O-N 3.11Å; F294-F296 VanDerWaalsContact C-N 3.29Å; F294-F296 PolarHBondContact O-N 2.66Å; F294-I297 PolarHBondContact O-N 2.95Å; F294-Q298 WeakPolarHBondContact O-CB 3.15Å; F294-Q298 PolarHBondContact O-N 3.49Å; F294-V312 HydrophobicContact CE1-CG2 4.46Å; F294-W326 AromaticContact CE2-CH2 3.68Å; F294-W326 HydrophobicContact CE2-CH2 3.68Å; F294-W326 HydrophobicContact CE2-CZ2 4.02Å; F294-W326 AromaticContact CZ-CH2 3.88Å; F294-W326 HydrophobicContact CZ-CH2 3.88Å; F294-L331 HydrophobicContact CE1-CD1 3.65Å; F294-L331 HydrophobicContact CZ-CD1 3.8Å; F294-L334 HydrophobicContact CB-CB 4.11Å; F294-L334 HydrophobicContact CB-CD1 4.06Å; F294-L334 HydrophobicContact CB-CD2 4.05Å; F294-L334 HydrophobicContact CB-CG 4.3Å; F294-L334 HydrophobicContact CD1-CB 4.19Å; F294-L334 HydrophobicContact CD1-CD1 4.39Å; F294-L334 HydrophobicContact CD2-CD1 3.94Å; F294-L334 HydrophobicContact CE2-CD1 4.48Å; F294-L334 HydrophobicContact CG-CB 4.25Å; F294-L334 HydrophobicContact CG-CD1 3.9Å; F294-L335 HydrophobicContact CD1-CD2 4.4Å; F294-L335 HydrophobicContact CE1-CD2 4.48Å
295	E	84	Confident	75.8	Confident	94 Å²	94	48.3 Å²	48.3	44%	0.439	26%	0.26	S	S	.	.	H	α-helix	trans	-60.6	-39.1	174.3	-73	170	-163.3	0	0	111.8	A291 Q298 K299	A291-E295 WeakPolarHBondContact O-CG 3.37Å; A291-E295 PolarHBondContact O-N 2.73Å; E295-Q298 WeakPolarHBondContact O-CB 3.41Å; E295-Q298 PolarHBondContact O-N 3.31Å; E295-K299 WeakPolarHBondContact O-CG 3.28Å; E295-K299 PolarHBondContact O-N 3Å
296	F	85	Confident	76.8	Confident	38 Å²	38	49.2 Å²	49.2	17%	0.167	27%	0.266	C	S	.	.	H	α-helix	trans	-65.7	-46.2	175.1	-171.5	-81.8	0	0	0	111.3	L235 L246 P292 I293 F294 Q298 K299 V300	L235-F296 HydrophobicContact CB-CB 4.41Å; L235-F296 HydrophobicContact CB-CD2 3.95Å; L235-F296 HydrophobicContact CB-CE2 4.45Å; L235-F296 HydrophobicContact CB-CG 4.17Å; L235-F296 HydrophobicContact CD1-CB 4.18Å; L235-F296 HydrophobicContact CD1-CD1 4.41Å; L235-F296 HydrophobicContact CD1-CG 4.22Å; L235-F296 HydrophobicContact CD2-CD1 4Å; L235-F296 HydrophobicContact CD2-CD2 4.18Å; L235-F296 HydrophobicContact CD2-CE1 3.93Å; L235-F296 HydrophobicContact CD2-CE2 4.13Å; L235-F296 HydrophobicContact CD2-CG 4.11Å; L235-F296 HydrophobicContact CD2-CZ 4Å; L235-F296 HydrophobicContact CG-CG 4.39Å; L246-F296 HydrophobicContact CB-CD1 4.32Å; L246-F296 HydrophobicContact CB-CE1 4.07Å; L246-F296 HydrophobicContact CD1-CD1 3.75Å; L246-F296 HydrophobicContact CD1-CE1 4.12Å; L246-F296 HydrophobicContact CG-CD1 4.07Å; L246-F296 HydrophobicContact CG-CE1 3.91Å; P292-F296 WeakPolarHBondContact O-CB 3.35Å; P292-F296 PolarHBondContact O-N 2.81Å; I293-F296 PolarHBondContact O-N 3.24Å; F294-F296 VanDerWaalsContact C-N 3.29Å; F294-F296 PolarHBondContact O-N 2.66Å; F296-Q298 VanDerWaalsContact C-N 3.27Å; F296-Q298 PolarHBondContact O-N 2.89Å; F296-K299 WeakPolarHBondContact O-CB 3.37Å; F296-K299 PolarHBondContact O-N 2.92Å; F296-K299 VanDerWaalsContact O-N 3.16Å; F296-V300 HydrophobicContact CD1-CG2 3.9Å; F296-V300 HydrophobicContact CE1-CG2 3.6Å; F296-V300 HydrophobicContact CZ-CG2 4.32Å; F296-V300 WeakPolarHBondContact O-CG2 3.05Å; F296-V300 PolarHBondContact O-N 2.98Å
297	I	85.1	Confident	77.4	Confident	3 Å²	3	52.3 Å²	52.3	2%	0.015	28%	0.283	C	S	.	.	H	α-helix	trans	-57.9	-43.6	174.6	-69.4	166.5	0	0	0	110.4	L246 L249 L252 I293 F294 K299 V300 N301 P310 L335	L246-I297 HydrophobicContact CD1-CG1 3.85Å; L249-I297 HydrophobicContact CD2-CD1 3.79Å; L249-I297 HydrophobicContact CD2-CG1 4.01Å; L252-I297 HydrophobicContact CD2-CD1 3.92Å; I293-I297 HydrophobicContact CG2-CD1 4.17Å; I293-I297 WeakPolarHBondContact O-CG1 3.46Å; I293-I297 PolarHBondContact O-N 3.23Å; F294-I297 PolarHBondContact O-N 2.95Å; I297-K299 VanDerWaalsContact C-N 3.33Å; I297-K299 PolarHBondContact O-N 2.95Å; I297-V300 PolarHBondContact O-N 2.96Å; I297-N301 WeakPolarHBondContact O-CB 3.03Å; I297-N301 VanDerWaalsContact O-CG 3.26Å; I297-N301 PolarHBondContact O-N 2.83Å; I297-N301 PolarHBondContact O-OD1 2.96Å; I297-P310 HydrophobicContact CG2-CG 3.53Å; I297-L335 HydrophobicContact CG2-CD2 4.28Å
298	Q	83.4	Confident	78	Confident	46 Å²	46	59.3 Å²	59.3	22%	0.215	31%	0.308	C	S	.	.	H	α-helix	trans	-59.8	-43.3	177.3	-167.4	-175.6	32.6	0	0	111.6	F294 E295 F296 N301 L302 K336	F294-Q298 WeakPolarHBondContact O-CB 3.15Å; F294-Q298 PolarHBondContact O-N 3.49Å; E295-Q298 WeakPolarHBondContact O-CB 3.41Å; E295-Q298 PolarHBondContact O-N 3.31Å; F296-Q298 VanDerWaalsContact C-N 3.27Å; F296-Q298 PolarHBondContact O-N 2.89Å; Q298-N301 PolarHBondContact O-N 3.29Å; Q298-L302 HydrophobicContact CG-CD1 4.25Å; Q298-L302 WeakPolarHBondContact O-CB 3.13Å; Q298-L302 WeakPolarHBondContact O-CD1 3.28Å; Q298-L302 VanDerWaalsContact O-CG 3.23Å; Q298-L302 WeakPolarHBondContact O-CG 3.36Å; Q298-L302 PolarHBondContact O-N 3.19Å; Q298-K336 HydrophobicContact CG-CD 3.92Å; Q298-K336 HydrophobicContact CG-CG 3.92Å
299	K	84	Confident	78.7	Confident	136 Å²	136	61 Å²	61	59%	0.591	31%	0.307	S	S	*	.	H	α-helix	trans	-61.8	-45.7	175.6	-74.2	172	-177.2	178.6	0	111.8	E295 F296 I297 N301 L302 T303	E295-K299 WeakPolarHBondContact O-CG 3.28Å; E295-K299 PolarHBondContact O-N 3Å; F296-K299 WeakPolarHBondContact O-CB 3.37Å; F296-K299 PolarHBondContact O-N 2.92Å; F296-K299 VanDerWaalsContact O-N 3.16Å; I297-K299 VanDerWaalsContact C-N 3.33Å; I297-K299 PolarHBondContact O-N 2.95Å; K299-N301 VanDerWaalsContact C-N 3.33Å; K299-N301 PolarHBondContact O-N 3.03Å; K299-L302 PolarHBondContact O-N 3.35Å; K299-T303 WeakPolarHBondContact O-CG2 3.42Å; K299-T303 PolarHBondContact O-N 3.25Å; K299-T303 VanDerWaalsContact O-N 3.08Å; K299-T303 PolarHBondContact O-OG1 3.33Å
300	V	81.5	Confident	79.6	Confident	10 Å²	10	59.2 Å²	59.2	6%	0.061	30%	0.3	C	S	.	.	H	α-helix	trans	-64	-38	178.3	175.5	0	0	0	0	111.7	F296 I297 L302 T303	F296-V300 HydrophobicContact CD1-CG2 3.9Å; F296-V300 HydrophobicContact CE1-CG2 3.6Å; F296-V300 HydrophobicContact CZ-CG2 4.32Å; F296-V300 WeakPolarHBondContact O-CG2 3.05Å; F296-V300 PolarHBondContact O-N 2.98Å; I297-V300 PolarHBondContact O-N 2.96Å; V300-L302 VanDerWaalsContact C-N 3.32Å; V300-T303 PolarHBondContact O-OG1 3.39Å
301	N	78.1	Confident	80.3	Confident	35 Å²	35	60.4 Å²	60.4	19%	0.187	31%	0.306	C	S	.	.	H	α-helix	trans	-67.5	-34.2	175.3	-69.9	-8.3	0	0	0	111.9	I297 Q298 K299	I297-N301 WeakPolarHBondContact O-CB 3.03Å; I297-N301 VanDerWaalsContact O-CG 3.26Å; I297-N301 PolarHBondContact O-N 2.83Å; I297-N301 PolarHBondContact O-OD1 2.96Å; Q298-N301 PolarHBondContact O-N 3.29Å; K299-N301 VanDerWaalsContact C-N 3.33Å; K299-N301 PolarHBondContact O-N 3.03Å
302	L	77.1	Confident	81.1	Confident	100 Å²	100	59.6 Å²	59.6	52%	0.524	30%	0.299	S	S	.	.	H	α-helix	trans	-74.3	-30.8	179.3	-75.6	164.9	0	0	0	113.9	Q298 K299 V300 G304 K336	Q298-L302 HydrophobicContact CG-CD1 4.25Å; Q298-L302 WeakPolarHBondContact O-CB 3.13Å; Q298-L302 WeakPolarHBondContact O-CD1 3.28Å; Q298-L302 VanDerWaalsContact O-CG 3.23Å; Q298-L302 WeakPolarHBondContact O-CG 3.36Å; Q298-L302 PolarHBondContact O-N 3.19Å; K299-L302 PolarHBondContact O-N 3.35Å; V300-L302 VanDerWaalsContact C-N 3.32Å; L302-G304 PolarHBondContact O-N 3.17Å; L302-K336 HydrophobicContact CD1-CD 4.14Å; L302-K336 HydrophobicContact CD2-CD 3.64Å; L302-K336 HydrophobicContact CG-CD 3.93Å
303	T	77.4	Confident	81.7	Confident	83 Å²	83	58.1 Å²	58.1	51%	0.509	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-2.3	177.8	53.2	0	0	0	0	112.9	K299 V300 Q305	K299-T303 WeakPolarHBondContact O-CG2 3.42Å; K299-T303 PolarHBondContact O-N 3.25Å; K299-T303 VanDerWaalsContact O-N 3.08Å; K299-T303 PolarHBondContact O-OG1 3.33Å; V300-T303 PolarHBondContact O-OG1 3.39Å; T303-Q305 PolarHBondContact O-N 2.97Å; T303-Q305 VanDerWaalsContact O-N 3.16Å; T303-Q305 WeakPolarHBondContact OG1-CG 3.38Å; T303-Q305 PolarHBondContact OG1-OE1 3.49Å; T303-Q305 VanDerWaalsContact OG1-OE1 3.1Å
304	G	74.2	Confident	82.1	Confident	64 Å²	64	58.1 Å²	58.1	66%	0.66	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	8.4	-175.7	0	0	0	0	0	113.7	L302 S306	L302-G304 PolarHBondContact O-N 3.17Å; G304-S306 VanDerWaalsContact C-N 3.27Å; G304-S306 PolarHBondContact O-N 2.83Å
305	Q	69.2	Low	82.5	Confident	123 Å²	123	58 Å²	58	58%	0.575	29%	0.289	S	S	*	.			trans	-79.5	-11.7	-177.8	-71	173.7	-22	0	0	112.8	S247 T303	S247-Q305 VanDerWaalsContact CB-O 3.29Å; S247-Q305 WeakPolarHBondContact CB-O 3.21Å; T303-Q305 PolarHBondContact O-N 2.97Å; T303-Q305 VanDerWaalsContact O-N 3.16Å; T303-Q305 WeakPolarHBondContact OG1-CG 3.38Å; T303-Q305 PolarHBondContact OG1-OE1 3.49Å; T303-Q305 VanDerWaalsContact OG1-OE1 3.1Å
306	S	70.3	Confident	82.8	Confident	25 Å²	25	53.6 Å²	53.6	18%	0.175	27%	0.268	C	S	.	.			trans	-82.4	128.9	179.7	-170.8	0	0	0	0	111.2	S247 G304 R308	S247-S306 WeakPolarHBondContact O-CA 3.44Å; S247-S306 PolarHBondContact O-OG 3.24Å; G304-S306 VanDerWaalsContact C-N 3.27Å; G304-S306 PolarHBondContact O-N 2.83Å; S306-R308 VanDerWaalsContact C-N 3.29Å; S306-R308 PolarHBondContact O-N 3.22Å; S306-R308 PolarHBondContact OG-O 3.39Å
307	I	67.5	Low	82.8	Confident	111 Å²	111	52.5 Å²	52.5	57%	0.569	27%	0.266	S	S	*	.	S	Bend	trans	-64.4	-39.1	176.9	-54.4	176.5	0	0	0	110	S247 R248	S247-I307 PolarHBondContact O-N 2.94Å; R248-I307 HydrophobicContact CG-CD1 3.89Å
308	R	75.5	Confident	82.7	Confident	185 Å²	185	52.4 Å²	52.4	70%	0.698	27%	0.266	S	S	*	.	S	Bend	trans	-152.1	149.2	179.7	-64	-174.4	-179.3	164.2	1.2	110.4	S306	S306-R308 VanDerWaalsContact C-N 3.29Å; S306-R308 PolarHBondContact O-N 3.22Å; S306-R308 PolarHBondContact OG-O 3.39Å
309	R	81.4	Confident	82.7	Confident	129 Å²	129	50.2 Å²	50.2	49%	0.487	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-63.4	129.9	175.5	-61.6	-177.2	-179.3	172.7	-3.7	110.1	E341	R309-E341 IonicContact NH1-OE2 2.79Å
310	P	88.4	Confident	82.4	Confident	7 Å²	7	44.7 Å²	44.7	5%	0.045	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-70.5	138.2	-178.1	25.4	-31.9	0	0	0	111.6	L249 I297 L335	L249-P310 HydrophobicContact CD2-CB 4.03Å; L249-P310 HydrophobicContact CD2-CG 4.41Å; L249-P310 HydrophobicContact CG-CB 4.03Å; L249-P310 WeakPolarHBondContact O-CB 3.31Å; I297-P310 HydrophobicContact CG2-CG 3.53Å; P310-L335 HydrophobicContact CG-CD2 4.39Å
311	L	92.3	Very high	82.4	Confident	28 Å²	28	48.8 Å²	48.8	15%	0.147	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	149.7	172.2	-64.9	166.5	0	0	0	110.8	H96 S250 W251 L252	H96-L311 VanDerWaalsContact C-CD1 3.46Å; H96-L311 VanDerWaalsContact CA-CD1 3.42Å; H96-L311 HydrophobicContact CB-CD1 3.67Å; H96-L311 WeakPolarHBondContact O-CD2 2.94Å; S250-L311 PolarHBondContact O-N 3.22Å; W251-L311 WeakPolarHBondContact CA-O 3.23Å; W251-L311 HydrophobicContact CD2-CB 4.04Å; W251-L311 HydrophobicContact CE3-CB 3.66Å; W251-L311 HydrophobicContact CH2-CB 3.84Å; W251-L311 HydrophobicContact CH2-CD1 3.78Å; W251-L311 HydrophobicContact CH2-CG 4.46Å; W251-L311 HydrophobicContact CZ2-CB 4.2Å; W251-L311 HydrophobicContact CZ2-CD1 3.58Å; W251-L311 HydrophobicContact CZ3-CB 3.54Å; W251-L311 HydrophobicContact CZ3-CD1 4.35Å; L252-L311 PolarHBondContact N-O 3.39Å
312	V	93.8	Very high	82.3	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.1	-178.2	-175.7	0	0	0	0	111.1	N98 L99 L252 F294 L314 L331 L335	N98-V312 WeakPolarHBondContact CA-O 3.48Å; N98-V312 PolarHBondContact OD1-N 2.99Å; L99-V312 PolarHBondContact N-O 2.99Å; L252-V312 HydrophobicContact CB-CG2 4.29Å; L252-V312 HydrophobicContact CD2-CG2 4.44Å; L252-V312 WeakPolarHBondContact O-CA 3.41Å; F294-V312 HydrophobicContact CE1-CG2 4.46Å; V312-L314 HydrophobicContact CG1-CD2 3.67Å; V312-L314 HydrophobicContact CG1-CG 4.06Å; V312-L331 HydrophobicContact CB-CD1 4.34Å; V312-L331 HydrophobicContact CB-CD2 3.9Å; V312-L331 HydrophobicContact CG1-CD1 4.13Å; V312-L331 HydrophobicContact CG1-CD2 4Å; V312-L331 HydrophobicContact CG2-CD1 4.12Å; V312-L331 HydrophobicContact CG2-CD2 4.4Å; V312-L335 HydrophobicContact CG2-CD1 3.67Å; V312-L335 HydrophobicContact CG2-CD2 4.22Å; V312-L335 HydrophobicContact CG2-CG 4.48Å
313	A	95.9	Very high	82.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	112.8	174	0	0	0	0	0	110.4	M93 L99 W251 L252 V253 V254 F315	M93-A313 HydrophobicContact CE-CB 3.89Å; M93-A313 HydrophobicContact SD-CB 4.24Å; L99-A313 HydrophobicContact CB-CB 4.46Å; L99-A313 CarbonylContact O-C 3.5Å; L99-A313 WeakPolarHBondContact O-CA 3.31Å; W251-A313 HydrophobicContact CE3-CB 4.15Å; W251-A313 HydrophobicContact CZ3-CB 3.9Å; L252-A313 PolarHBondContact O-N 3.43Å; V253-A313 CarbonylContact C-O 3.57Å; V253-A313 WeakPolarHBondContact CA-O 3.48Å; V253-A313 HydrophobicContact CG2-CB 4.32Å; V254-A313 PolarHBondContact N-O 2.8Å; A313-F315 HydrophobicContact CB-CD2 4.3Å; A313-F315 HydrophobicContact CB-CE2 3.79Å
314	L	94.9	Very high	82.9	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.7	-179.7	-54.4	179.1	0	0	0	109.1	L99 L100 A101 V254 C257 L261 V312 W326 A327	L99-L314 PolarHBondContact O-N 2.98Å; L100-L314 CarbonylContact C-O 3.58Å; L100-L314 WeakPolarHBondContact CA-O 3.39Å; L100-L314 HydrophobicContact CD1-CB 3.7Å; L100-L314 HydrophobicContact CD1-CD1 4.15Å; A101-L314 PolarHBondContact N-O 3.45Å; V254-L314 HydrophobicContact CB-CD2 3.66Å; V254-L314 HydrophobicContact CG1-CD2 4.47Å; V254-L314 HydrophobicContact CG2-CD2 3.74Å; C257-L314 HydrophobicContact CB-CB 4.19Å; C257-L314 HydrophobicContact CB-CD2 4.45Å; L261-L314 HydrophobicContact CD1-CD1 4.43Å; V312-L314 HydrophobicContact CG1-CD2 3.67Å; V312-L314 HydrophobicContact CG1-CG 4.06Å; L314-W326 HydrophobicContact CD1-CZ3 4.17Å; L314-A327 HydrophobicContact CD1-CB 3.74Å
315	F	94.4	Very high	83.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136.5	177.9	-76.6	-98.5	0	0	0	110.6	I85 M93 L99 A101 K109 A112 Y113 V253 V254 D255 E256 C257 A313	I85-F315 HydrophobicContact CG1-CE1 4.34Å; M93-F315 HydrophobicContact SD-CE2 4.18Å; M93-F315 HydrophobicContact SD-CZ 4.1Å; L99-F315 HydrophobicContact CD2-CE2 4.19Å; L99-F315 HydrophobicContact CD2-CZ 3.73Å; A101-F315 HydrophobicContact CB-CD1 3.48Å; A101-F315 VanDerWaalsContact CB-CD1 3.48Å; A101-F315 HydrophobicContact CB-CE1 3.41Å; A101-F315 VanDerWaalsContact CB-CE1 3.41Å; A101-F315 HydrophobicContact CB-CE2 4.46Å; A101-F315 HydrophobicContact CB-CG 4.06Å; A101-F315 HydrophobicContact CB-CZ 3.94Å; A101-F315 WeakPolarHBondContact O-CA 3.14Å; K109-F315 HydrophobicContact CB-CD1 4.05Å; K109-F315 HydrophobicContact CD-CB 4.4Å; K109-F315 HydrophobicContact CD-CD1 4.2Å; K109-F315 HydrophobicContact CG-CD1 4.16Å; A112-F315 HydrophobicContact CB-CE1 4.3Å; Y113-F315 HydrophobicContact CD1-CD1 4.28Å; Y113-F315 AromaticContact CD1-CD2 3.75Å; Y113-F315 HydrophobicContact CD1-CD2 3.75Å; Y113-F315 HydrophobicContact CD1-CE1 4.38Å; Y113-F315 AromaticContact CD1-CE2 3.88Å; Y113-F315 HydrophobicContact CD1-CE2 3.88Å; Y113-F315 AromaticContact CD1-CG 3.97Å; Y113-F315 HydrophobicContact CD1-CG 3.97Å; Y113-F315 HydrophobicContact CD1-CZ 4.2Å; Y113-F315 HydrophobicContact CG-CD2 4.36Å; Y113-F315 HydrophobicContact CG-CE2 4.14Å; V253-F315 HydrophobicContact CG1-CD2 4.33Å; V254-F315 PolarHBondContact O-N 3.17Å; D255-F315 CarbonylContact C-O 3.53Å; E256-F315 WeakPolarHBondContact CA-O 3.34Å; E256-F315 PolarHBondContact N-O 3.42Å; C257-F315 PolarHBondContact N-O 3.42Å; A313-F315 HydrophobicContact CB-CD2 4.3Å; A313-F315 HydrophobicContact CB-CE2 3.79Å
316	S	90.5	Very high	84.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	162.1	167.9	-177.1	0	0	0	0	112.3	A101 C102 A103 D258 T318	A101-S316 PolarHBondContact O-N 2.91Å; C102-S316 WeakPolarHBondContact CA-O 3.15Å; A103-S316 PolarHBondContact N-O 3.05Å; A103-S316 VanDerWaalsContact N-O 3.07Å; D258-S316 PolarHBondContact OD1-OG 3.16Å; S316-T318 VanDerWaalsContact CB-O 3.29Å; S316-T318 WeakPolarHBondContact CB-O 3.26Å; S316-T318 PolarHBondContact OG-N 2.92Å; S316-T318 VanDerWaalsContact OG-N 3.13Å; S316-T318 PolarHBondContact OG-O 2.87Å
317	A	84.1	Confident	84.9	Confident	15 Å²	15	37.1 Å²	37.1	12%	0.124	18%	0.178	C	C	.	.	S	Bend	trans	-75.9	-26.1	166.8	0	0	0	0	0	113.3	A103 T105	A103-A317 VanDerWaalsContact O-CA 3.24Å; A103-A317 WeakPolarHBondContact O-CA 3.45Å; T105-A317 HydrophobicContact CG2-CB 3.82Å
318	T	82.8	Confident	85.7	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.006	17%	0.166	C	C	.	.			trans	-134.3	140	176.4	70.5	0	0	0	0	109.9	D258 S316 Q469 I472	D258-T318 WeakPolarHBondContact CB-O 3.39Å; D258-T318 PolarHBondContact OD2-OG1 2.85Å; S316-T318 VanDerWaalsContact CB-O 3.29Å; S316-T318 WeakPolarHBondContact CB-O 3.26Å; S316-T318 PolarHBondContact OG-N 2.92Å; S316-T318 VanDerWaalsContact OG-N 3.13Å; S316-T318 PolarHBondContact OG-O 2.87Å; T318-Q469 HydrophobicContact CG2-CB 4.36Å; T318-Q469 HydrophobicContact CG2-CG 4.1Å; T318-Q469 WeakPolarHBondContact OG1-CG 3.4Å; T318-I472 HydrophobicContact CG2-CB 4.32Å; T318-I472 HydrophobicContact CG2-CD1 3.85Å; T318-I472 HydrophobicContact CG2-CG2 4.08Å
319	V	83.2	Confident	86	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.006	15%	0.154	C	C	.	.			trans	-126.5	94.3	177.6	-177.5	0	0	0	0	108.8	L100 C102 V323 V324 R352	L100-V319 HydrophobicContact CD1-CG1 4.21Å; L100-V319 HydrophobicContact CD1-CG2 4.3Å; L100-V319 HydrophobicContact CD2-CG1 4.11Å; L100-V319 HydrophobicContact CG-CG1 4.43Å; C102-V319 HydrophobicContact CB-CB 4.25Å; C102-V319 HydrophobicContact CB-CG2 3.55Å; V319-V323 HydrophobicContact CG1-CB 4.19Å; V319-V323 HydrophobicContact CG1-CG1 4.21Å; V319-V324 HydrophobicContact CG1-CG2 3.5Å; V319-V324 VanDerWaalsContact CG1-CG2 3.5Å; V319-R352 PolarHBondContact O-NH2 3.2Å
320	P	78.6	Confident	86	Confident	20 Å²	20	29.1 Å²	29.1	13%	0.13	15%	0.15	C	C	.	.			trans	-56.4	152.5	168.6	-19.5	30.1	0	0	0	111.5	E322 V323 V324 Q469	P320-E322 WeakPolarHBondContact CB-OE2 3.45Å; P320-E322 PolarHBondContact O-N 3.46Å; P320-V323 HydrophobicContact CB-CG2 4.33Å; P320-V323 HydrophobicContact CG-CG2 4.15Å; P320-V323 PolarHBondContact O-N 3.48Å; P320-V323 VanDerWaalsContact O-N 3.08Å; P320-V324 PolarHBondContact O-N 3.03Å; P320-Q469 HydrophobicContact CG-CG 4.4Å
321	D	81.3	Confident	85.7	Confident	96 Å²	96	28.8 Å²	28.8	51%	0.513	15%	0.148	S	C	.	.	H	α-helix	trans	-61.1	-29.9	179.7	-68.6	-49.4	0	0	0	111.7	V323 V324 S325 R352	D321-V323 VanDerWaalsContact C-N 3.32Å; D321-V323 PolarHBondContact O-N 3.15Å; D321-V324 PolarHBondContact O-N 3.26Å; D321-S325 WeakPolarHBondContact O-CB 3.02Å; D321-S325 PolarHBondContact O-N 3.16Å; D321-R352 IonicContact OD1-CZ 3.46Å; D321-R352 IonicContact OD1-NH1 2.77Å; D321-R352 PolarHBondContact OD1-NH1 3.41Å; D321-R352 IonicContact OD1-NH2 3.54Å; D321-R352 PolarHBondContact OD1-NH2 3.09Å; D321-R352 IonicContact OD2-CZ 3.44Å; D321-R352 IonicContact OD2-NH1 3.6Å; D321-R352 IonicContact OD2-NH2 3.81Å; D321-R352 PolarHBondContact OD2-NH2 2.89Å
322	E	76.4	Confident	85.2	Confident	116 Å²	116	27.7 Å²	27.7	54%	0.542	14%	0.143	S	C	.	.	H	α-helix	trans	-61.9	-39.4	176	-58.5	82.2	178.2	0	0	111.9	P320 S325 W326	P320-E322 WeakPolarHBondContact CB-OE2 3.45Å; P320-E322 PolarHBondContact O-N 3.46Å; E322-S325 PolarHBondContact O-N 3.14Å; E322-W326 WeakPolarHBondContact O-CB 3.45Å; E322-W326 PolarHBondContact O-N 3.32Å
323	V	81.9	Confident	84.4	Confident	4 Å²	4	31.9 Å²	31.9	2%	0.024	17%	0.168	C	C	.	.	H	α-helix	trans	-69.4	-39.9	177.3	177.7	0	0	0	0	110.4	L261 V319 P320 D321 W326 A327	L261-V323 HydrophobicContact CB-CG2 4.33Å; L261-V323 HydrophobicContact CD1-CG1 3.95Å; V319-V323 HydrophobicContact CG1-CB 4.19Å; V319-V323 HydrophobicContact CG1-CG1 4.21Å; P320-V323 HydrophobicContact CB-CG2 4.33Å; P320-V323 HydrophobicContact CG-CG2 4.15Å; P320-V323 PolarHBondContact O-N 3.48Å; P320-V323 VanDerWaalsContact O-N 3.08Å; D321-V323 VanDerWaalsContact C-N 3.32Å; D321-V323 PolarHBondContact O-N 3.15Å; V323-W326 PolarHBondContact O-N 3.02Å; V323-A327 WeakPolarHBondContact O-CB 3.44Å; V323-A327 PolarHBondContact O-N 3.28Å
324	V	85.3	Confident	83.5	Confident	6 Å²	6	33.2 Å²	33.2	4%	0.036	18%	0.175	C	C	.	.	H	α-helix	trans	-62.4	-45.5	174.5	-173.3	0	0	0	0	110.7	L100 V319 P320 D321 A327 R328	L100-V324 HydrophobicContact CD2-CB 4.41Å; L100-V324 HydrophobicContact CD2-CG1 4.42Å; L100-V324 HydrophobicContact CD2-CG2 4.13Å; V319-V324 HydrophobicContact CG1-CG2 3.5Å; V319-V324 VanDerWaalsContact CG1-CG2 3.5Å; P320-V324 PolarHBondContact O-N 3.03Å; D321-V324 PolarHBondContact O-N 3.26Å; V324-A327 PolarHBondContact O-N 3.43Å; V324-R328 WeakPolarHBondContact O-CB 3.48Å; V324-R328 PolarHBondContact O-N 3.02Å
325	S	84.2	Confident	82.6	Confident	53 Å²	53	33.3 Å²	33.3	37%	0.371	18%	0.176	S	C	.	.	H	α-helix	trans	-64.3	-41.2	178.9	-170.5	0	0	0	0	111.9	D321 E322 R328 N329	D321-S325 WeakPolarHBondContact O-CB 3.02Å; D321-S325 PolarHBondContact O-N 3.16Å; E322-S325 PolarHBondContact O-N 3.14Å; S325-R328 PolarHBondContact O-N 3.13Å; S325-N329 WeakPolarHBondContact O-CB 3.47Å; S325-N329 VanDerWaalsContact O-CG 3.29Å; S325-N329 PolarHBondContact O-N 2.91Å; S325-N329 PolarHBondContact OG-ND2 3.13Å
326	W	84.1	Confident	81.6	Confident	6 Å²	6	38 Å²	38	2%	0.023	20%	0.196	C	C	.	.	H	α-helix	trans	-63.9	-48	175.7	178.2	87.1	0	0	0	111.1	L261 F265 H287 F294 L314 E322 V323 R328 N329 Q330 L331 L334	L261-W326 HydrophobicContact CD1-CD2 4.19Å; L261-W326 HydrophobicContact CD1-CE3 3.41Å; L261-W326 VanDerWaalsContact CD1-CE3 3.41Å; L261-W326 HydrophobicContact CD1-CH2 4.2Å; L261-W326 HydrophobicContact CD1-CZ3 3.43Å; L261-W326 VanDerWaalsContact CD1-CZ3 3.43Å; L261-W326 HydrophobicContact CD2-CD2 3.93Å; L261-W326 HydrophobicContact CD2-CE3 3.85Å; L261-W326 HydrophobicContact CD2-CH2 3.58Å; L261-W326 HydrophobicContact CD2-CZ2 3.65Å; L261-W326 HydrophobicContact CD2-CZ3 3.68Å; L261-W326 HydrophobicContact CG-CE3 4.18Å; L261-W326 HydrophobicContact CG-CZ3 4.19Å; F265-W326 HydrophobicContact CZ-CB 4.18Å; F265-W326 AromaticContact CZ-CD1 3.63Å; F265-W326 HydrophobicContact CZ-CG 4.2Å; H287-W326 AromaticContact CD2-NE1 3.64Å; H287-W326 AromaticContact NE2-NE1 3.32Å; H287-W326 PolarHBondContact NE2-NE1 3.05Å; F294-W326 AromaticContact CE2-CH2 3.68Å; F294-W326 HydrophobicContact CE2-CH2 3.68Å; F294-W326 HydrophobicContact CE2-CZ2 4.02Å; F294-W326 AromaticContact CZ-CH2 3.88Å; F294-W326 HydrophobicContact CZ-CH2 3.88Å; L314-W326 HydrophobicContact CD1-CZ3 4.17Å; E322-W326 WeakPolarHBondContact O-CB 3.45Å; E322-W326 PolarHBondContact O-N 3.32Å; V323-W326 PolarHBondContact O-N 3.02Å; W326-R328 VanDerWaalsContact C-N 3.28Å; W326-R328 PolarHBondContact O-N 3.21Å; W326-N329 PolarHBondContact O-N 3.39Å; W326-Q330 HydrophobicContact CD2-CB 4.37Å; W326-Q330 HydrophobicContact CG-CB 4.16Å; W326-Q330 HydrophobicContact CG-CG 4.25Å; W326-Q330 WeakPolarHBondContact O-CA 3.38Å; W326-Q330 VanDerWaalsContact O-CB 3.32Å; W326-Q330 WeakPolarHBondContact O-CB 3.42Å; W326-Q330 PolarHBondContact O-N 2.94Å; W326-L331 HydrophobicContact CH2-CD1 4.08Å; W326-L331 HydrophobicContact CZ3-CD1 4.3Å; W326-L331 PolarHBondContact O-N 3.3Å; W326-L334 HydrophobicContact CZ2-CD1 3.85Å
327	A	85.4	Confident	80.7	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-37.8	179.5	0	0	0	0	0	111.8	L100 L314 V323 V324 L331 Y342 L344	L100-A327 HydrophobicContact CD2-CB 4.28Å; L314-A327 HydrophobicContact CD1-CB 3.74Å; V323-A327 WeakPolarHBondContact O-CB 3.44Å; V323-A327 PolarHBondContact O-N 3.28Å; V324-A327 PolarHBondContact O-N 3.43Å; A327-L331 WeakPolarHBondContact O-CB 3.33Å; A327-Y342 PolarHBondContact O-OH 3.09Å; A327-L344 HydrophobicContact CB-CD2 3.81Å
328	R	84.9	Confident	80	Confident	85 Å²	85	43 Å²	43	32%	0.321	22%	0.221	S	C	.	.	H	α-helix	trans	-68.9	-44.2	177.6	-174.9	-176.6	-67.9	114	-2.4	112.8	I46 V324 S325 W326 P332	I46-R328 HydrophobicContact CG2-CG 3.91Å; V324-R328 WeakPolarHBondContact O-CB 3.48Å; V324-R328 PolarHBondContact O-N 3.02Å; S325-R328 PolarHBondContact O-N 3.13Å; W326-R328 VanDerWaalsContact C-N 3.28Å; W326-R328 PolarHBondContact O-N 3.21Å; R328-P332 WeakPolarHBondContact O-CD 3.43Å; R328-P332 WeakPolarHBondContact O-CG 3.12Å
329	N	82	Confident	79.3	Confident	84 Å²	84	47.8 Å²	47.8	45%	0.449	25%	0.254	S	S	.	.	H	α-helix	trans	-100.9	-33.6	-166	-59.3	-10.5	0	0	0	113.4	S325 W326 V333	S325-N329 WeakPolarHBondContact O-CB 3.47Å; S325-N329 VanDerWaalsContact O-CG 3.29Å; S325-N329 PolarHBondContact O-N 2.91Å; S325-N329 PolarHBondContact OG-ND2 3.13Å; W326-N329 PolarHBondContact O-N 3.39Å; N329-V333 WeakPolarHBondContact O-CG2 3.47Å
330	Q	80.8	Confident	78.7	Confident	87 Å²	87	51.8 Å²	51.8	41%	0.407	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-34.4	-172.3	-60.4	-63.6	-55.6	0	0	112.5	W326 P332 V333 L334	W326-Q330 HydrophobicContact CD2-CB 4.37Å; W326-Q330 HydrophobicContact CG-CB 4.16Å; W326-Q330 HydrophobicContact CG-CG 4.25Å; W326-Q330 WeakPolarHBondContact O-CA 3.38Å; W326-Q330 VanDerWaalsContact O-CB 3.32Å; W326-Q330 WeakPolarHBondContact O-CB 3.42Å; W326-Q330 PolarHBondContact O-N 2.94Å; Q330-P332 VanDerWaalsContact C-CD 3.43Å; Q330-V333 PolarHBondContact O-N 2.95Å; Q330-L334 WeakPolarHBondContact O-CB 3.45Å; Q330-L334 VanDerWaalsContact O-CG 3.29Å; Q330-L334 WeakPolarHBondContact O-CG 3.33Å; Q330-L334 PolarHBondContact O-N 3.49Å
331	L	82.1	Confident	78.6	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-58.1	-42.2	179.1	-162.5	63.2	0	0	0	113.6	F294 V312 W326 A327 V333 L334 L335 Y342	F294-L331 HydrophobicContact CE1-CD1 3.65Å; F294-L331 HydrophobicContact CZ-CD1 3.8Å; V312-L331 HydrophobicContact CB-CD1 4.34Å; V312-L331 HydrophobicContact CB-CD2 3.9Å; V312-L331 HydrophobicContact CG1-CD1 4.13Å; V312-L331 HydrophobicContact CG1-CD2 4Å; V312-L331 HydrophobicContact CG2-CD1 4.12Å; V312-L331 HydrophobicContact CG2-CD2 4.4Å; W326-L331 HydrophobicContact CH2-CD1 4.08Å; W326-L331 HydrophobicContact CZ3-CD1 4.3Å; W326-L331 PolarHBondContact O-N 3.3Å; A327-L331 WeakPolarHBondContact O-CB 3.33Å; L331-V333 VanDerWaalsContact C-N 3.35Å; L331-V333 PolarHBondContact O-N 3.16Å; L331-L334 PolarHBondContact O-N 3.45Å; L331-L335 HydrophobicContact CD1-CD1 4.15Å; L331-L335 HydrophobicContact CD1-CG 4.44Å; L331-L335 HydrophobicContact CG-CD1 3.87Å; L331-L335 HydrophobicContact CG-CG 4.48Å; L331-L335 WeakPolarHBondContact O-CB 3.41Å; L331-L335 VanDerWaalsContact O-CG 3.31Å; L331-L335 WeakPolarHBondContact O-CG 3.27Å; L331-L335 PolarHBondContact O-N 2.99Å; L331-Y342 HydrophobicContact CD2-CE2 4.26Å; L331-Y342 WeakPolarHBondContact CD2-OH 3.35Å
332	P	82.1	Confident	78.8	Confident	6 Å²	6	51 Å²	51	4%	0.039	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-42.1	177.8	-18.7	32	0	0	0	111.8	R328 Q330 L335 K336 L337 Y342	R328-P332 WeakPolarHBondContact O-CD 3.43Å; R328-P332 WeakPolarHBondContact O-CG 3.12Å; Q330-P332 VanDerWaalsContact C-CD 3.43Å; P332-L335 CarbonylContact O-C 3.58Å; P332-L335 PolarHBondContact O-N 3.29Å; P332-K336 WeakPolarHBondContact O-CA 3.24Å; P332-K336 PolarHBondContact O-N 3.16Å; P332-L337 PolarHBondContact O-N 3.45Å; P332-Y342 HydrophobicContact CB-CD1 4.11Å; P332-Y342 HydrophobicContact CB-CD2 4.44Å; P332-Y342 HydrophobicContact CB-CG 3.98Å; P332-Y342 HydrophobicContact CG-CD1 3.36Å; P332-Y342 HydrophobicContact CG-CD2 4.25Å; P332-Y342 HydrophobicContact CG-CE1 3.53Å; P332-Y342 HydrophobicContact CG-CE2 4.37Å; P332-Y342 HydrophobicContact CG-CG 3.72Å
333	V	78.2	Confident	79.4	Confident	88 Å²	88	46.6 Å²	46.6	53%	0.533	25%	0.253	S	S	.	.	H	α-helix	trans	-62.7	-45.3	179.1	178.5	0	0	0	0	110.7	N329 Q330 L331 L335 K336	N329-V333 WeakPolarHBondContact O-CG2 3.47Å; Q330-V333 PolarHBondContact O-N 2.95Å; L331-V333 VanDerWaalsContact C-N 3.35Å; L331-V333 PolarHBondContact O-N 3.16Å; V333-L335 VanDerWaalsContact C-N 3.34Å; V333-L335 PolarHBondContact O-N 3.17Å; V333-K336 PolarHBondContact O-N 3.2Å
334	L	76.3	Confident	79.9	Confident	28 Å²	28	46.4 Å²	46.4	15%	0.147	25%	0.252	C	S	.	.	H	α-helix	trans	-66.6	-35.8	179.5	-71.9	173.6	0	0	0	112.4	F294 W326 Q330 L331 K336	F294-L334 HydrophobicContact CB-CB 4.11Å; F294-L334 HydrophobicContact CB-CD1 4.06Å; F294-L334 HydrophobicContact CB-CD2 4.05Å; F294-L334 HydrophobicContact CB-CG 4.3Å; F294-L334 HydrophobicContact CD1-CB 4.19Å; F294-L334 HydrophobicContact CD1-CD1 4.39Å; F294-L334 HydrophobicContact CD2-CD1 3.94Å; F294-L334 HydrophobicContact CE2-CD1 4.48Å; F294-L334 HydrophobicContact CG-CB 4.25Å; F294-L334 HydrophobicContact CG-CD1 3.9Å; W326-L334 HydrophobicContact CZ2-CD1 3.85Å; Q330-L334 WeakPolarHBondContact O-CB 3.45Å; Q330-L334 VanDerWaalsContact O-CG 3.29Å; Q330-L334 WeakPolarHBondContact O-CG 3.33Å; Q330-L334 PolarHBondContact O-N 3.49Å; L331-L334 PolarHBondContact O-N 3.45Å; L334-K336 VanDerWaalsContact C-N 3.32Å
335	L	76.3	Confident	80.3	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.021	25%	0.25	C	C	.	.	H	α-helix	trans	-86.4	-1.8	177	-62.9	174.4	0	0	0	113.3	F294 I297 P310 V312 L331 P332 V333 L337	F294-L335 HydrophobicContact CD1-CD2 4.4Å; F294-L335 HydrophobicContact CE1-CD2 4.48Å; I297-L335 HydrophobicContact CG2-CD2 4.28Å; P310-L335 HydrophobicContact CG-CD2 4.39Å; V312-L335 HydrophobicContact CG2-CD1 3.67Å; V312-L335 HydrophobicContact CG2-CD2 4.22Å; V312-L335 HydrophobicContact CG2-CG 4.48Å; L331-L335 HydrophobicContact CD1-CD1 4.15Å; L331-L335 HydrophobicContact CD1-CG 4.44Å; L331-L335 HydrophobicContact CG-CD1 3.87Å; L331-L335 HydrophobicContact CG-CG 4.48Å; L331-L335 WeakPolarHBondContact O-CB 3.41Å; L331-L335 VanDerWaalsContact O-CG 3.31Å; L331-L335 WeakPolarHBondContact O-CG 3.27Å; L331-L335 PolarHBondContact O-N 2.99Å; P332-L335 CarbonylContact O-C 3.58Å; P332-L335 PolarHBondContact O-N 3.29Å; V333-L335 VanDerWaalsContact C-N 3.34Å; V333-L335 PolarHBondContact O-N 3.17Å; L335-L337 HydrophobicContact CB-CD1 3.7Å; L335-L337 HydrophobicContact CB-CG 3.73Å; L335-L337 HydrophobicContact CD1-CD1 3.8Å; L335-L337 HydrophobicContact CG-CD1 4.43Å; L335-L337 PolarHBondContact O-N 3.49Å
336	K	73.4	Confident	80.8	Confident	97 Å²	97	44.3 Å²	44.3	42%	0.422	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	47.7	-170.9	-71.9	-171.1	170.3	-159.7	0	112.5	Q298 L302 P332 V333 L334	Q298-K336 HydrophobicContact CG-CD 3.92Å; Q298-K336 HydrophobicContact CG-CG 3.92Å; L302-K336 HydrophobicContact CD1-CD 4.14Å; L302-K336 HydrophobicContact CD2-CD 3.64Å; L302-K336 HydrophobicContact CG-CD 3.93Å; P332-K336 WeakPolarHBondContact O-CA 3.24Å; P332-K336 PolarHBondContact O-N 3.16Å; V333-K336 PolarHBondContact O-N 3.2Å; L334-K336 VanDerWaalsContact C-N 3.32Å
337	L	71	Confident	81.3	Confident	28 Å²	28	44 Å²	44	15%	0.147	24%	0.235	C	C	.	.			trans	-90	134.9	173.7	-64.1	171.1	0	0	0	108.4	P332 L335 S339 Y342	P332-L337 PolarHBondContact O-N 3.45Å; L335-L337 HydrophobicContact CB-CD1 3.7Å; L335-L337 HydrophobicContact CB-CG 3.73Å; L335-L337 HydrophobicContact CD1-CD1 3.8Å; L335-L337 HydrophobicContact CG-CD1 4.43Å; L335-L337 PolarHBondContact O-N 3.49Å; L337-S339 PolarHBondContact O-N 2.81Å; L337-Y342 HydrophobicContact CB-CD2 4.47Å; L337-Y342 HydrophobicContact CD1-CD2 3.47Å; L337-Y342 VanDerWaalsContact CD1-CD2 3.47Å; L337-Y342 HydrophobicContact CD1-CE2 4.13Å; L337-Y342 HydrophobicContact CD1-CG 4.41Å
338	D	69	Low	81.7	Confident	94 Å²	94	46.8 Å²	46.8	50%	0.503	25%	0.245	S	C	.	.			trans	-57.1	131.9	169.3	-72.6	-36.4	0	0	0	108.3	S340 E341 Y342	D338-S340 PolarHBondContact O-N 3.23Å; D338-S340 VanDerWaalsContact O-N 3.11Å; D338-E341 HydrophobicContact CB-CB 4.24Å; D338-E341 HydrophobicContact CB-CG 4.13Å; D338-E341 WeakPolarHBondContact O-CA 3.44Å; D338-E341 PolarHBondContact O-N 3.22Å; D338-Y342 PolarHBondContact O-N 2.83Å
339	S	68.6	Low	81.9	Confident	100 Å²	100	43.6 Å²	43.6	70%	0.699	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-25	-176.8	-66.3	0	0	0	0	111.6	L337 E341	L337-S339 PolarHBondContact O-N 2.81Å; S339-E341 VanDerWaalsContact C-N 3.35Å
340	S	71.8	Confident	81.9	Confident	86 Å²	86	40.9 Å²	40.9	60%	0.601	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-23.5	172.7	55.7	0	0	0	0	113.4	R48 D338	R48-S340 PolarHBondContact NE-O 3.3Å; R48-S340 PolarHBondContact NH2-O 3.46Å; D338-S340 PolarHBondContact O-N 3.23Å; D338-S340 VanDerWaalsContact O-N 3.11Å
341	E	76.5	Confident	81.5	Confident	96 Å²	96	42 Å²	42	45%	0.449	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-33.7	-179.1	-69.6	-162.6	154.7	0	0	114.4	R48 R309 D338 S339 E343	R48-E341 VanDerWaalsContact CZ-O 3.25Å; R48-E341 PolarHBondContact NE-O 3.28Å; R48-E341 PolarHBondContact NH1-O 3.28Å; R48-E341 VanDerWaalsContact NH2-CA 3.34Å; R309-E341 IonicContact NH1-OE2 2.79Å; D338-E341 HydrophobicContact CB-CB 4.24Å; D338-E341 HydrophobicContact CB-CG 4.13Å; D338-E341 WeakPolarHBondContact O-CA 3.44Å; D338-E341 PolarHBondContact O-N 3.22Å; S339-E341 VanDerWaalsContact C-N 3.35Å; E341-E343 PolarHBondContact O-N 3.27Å
342	Y	83.9	Confident	80.9	Confident	3 Å²	3	45.4 Å²	45.4	1%	0.012	25%	0.247	C	C	.	.			trans	-68.7	121.9	-174.1	177.5	-103.3	0	0	0	112.2	N47 N98 A327 L331 P332 L337 D338 L344	N47-Y342 WeakPolarHBondContact CB-O 3.44Å; N47-Y342 VanDerWaalsContact ND2-CD1 3.26Å; N47-Y342 WeakPolarHBondContact ND2-CD1 3.45Å; N98-Y342 HydrophobicContact CB-CE2 4.29Å; N98-Y342 WeakPolarHBondContact ND2-CE2 3.37Å; A327-Y342 PolarHBondContact O-OH 3.09Å; L331-Y342 HydrophobicContact CD2-CE2 4.26Å; L331-Y342 WeakPolarHBondContact CD2-OH 3.35Å; P332-Y342 HydrophobicContact CB-CD1 4.11Å; P332-Y342 HydrophobicContact CB-CD2 4.44Å; P332-Y342 HydrophobicContact CB-CG 3.98Å; P332-Y342 HydrophobicContact CG-CD1 3.36Å; P332-Y342 HydrophobicContact CG-CD2 4.25Å; P332-Y342 HydrophobicContact CG-CE1 3.53Å; P332-Y342 HydrophobicContact CG-CE2 4.37Å; P332-Y342 HydrophobicContact CG-CG 3.72Å; L337-Y342 HydrophobicContact CB-CD2 4.47Å; L337-Y342 HydrophobicContact CD1-CD2 3.47Å; L337-Y342 VanDerWaalsContact CD1-CD2 3.47Å; L337-Y342 HydrophobicContact CD1-CE2 4.13Å; L337-Y342 HydrophobicContact CD1-CG 4.41Å; D338-Y342 PolarHBondContact O-N 2.83Å; Y342-L344 HydrophobicContact CE1-CB 3.77Å
343	E	89.2	Confident	80.2	Confident	23 Å²	23	45.7 Å²	45.7	11%	0.107	25%	0.248	C	C	.	.			trans	-117.1	135.8	168.4	-173	-178.5	-132.6	0	0	110.7	R48 S50 R97 N98 E341 I345	R48-E343 HydrophobicContact CB-CB 4.27Å; R48-E343 HydrophobicContact CB-CG 4.09Å; S50-E343 VanDerWaalsContact CB-OE1 3.24Å; S50-E343 WeakPolarHBondContact CB-OE1 3.4Å; S50-E343 VanDerWaalsContact OG-CD 3.28Å; S50-E343 PolarHBondContact OG-OE1 2.81Å; S50-E343 PolarHBondContact OG-OE2 3.05Å; R97-E343 IonicContact CZ-OE1 3.31Å; R97-E343 IonicContact CZ-OE2 3.73Å; R97-E343 IonicContact NE-OE2 3.52Å; R97-E343 PolarHBondContact NE-OE2 3.11Å; R97-E343 IonicContact NH2-OE1 2.8Å; R97-E343 PolarHBondContact NH2-OE1 3.33Å; R97-E343 IonicContact NH2-OE2 2.99Å; R97-E343 PolarHBondContact NH2-OE2 2.84Å; N98-E343 WeakPolarHBondContact CB-O 3.41Å; N98-E343 PolarHBondContact ND2-O 2.63Å; E341-E343 PolarHBondContact O-N 3.27Å; E343-I345 HydrophobicContact CG-CD1 4.46Å
344	L	91.7	Very high	79.9	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	121.8	170.8	179.7	62.7	0	0	0	110	I46 N98 L100 A327 Y342	I46-L344 HydrophobicContact CB-CB 4.38Å; I46-L344 WeakPolarHBondContact CB-O 3.23Å; I46-L344 HydrophobicContact CD1-CD2 4.42Å; I46-L344 PolarHBondContact N-O 2.87Å; I46-L344 PolarHBondContact O-N 3.21Å; N98-L344 HydrophobicContact CB-CD1 4.08Å; L100-L344 HydrophobicContact CB-CD1 4.07Å; L100-L344 HydrophobicContact CB-CD2 4.39Å; L100-L344 HydrophobicContact CB-CG 4.42Å; A327-L344 HydrophobicContact CB-CD2 3.81Å; Y342-L344 HydrophobicContact CE1-CB 3.77Å
345	I	94.8	Very high	79.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	121.3	170.7	-59.7	-63.6	0	0	0	109.9	V43 A45 I52 I92 R97 N98 L99 L100 E343	V43-I345 HydrophobicContact CG2-CG2 3.73Å; A45-I345 HydrophobicContact CB-CD1 3.54Å; I52-I345 HydrophobicContact CG1-CD1 4.17Å; I92-I345 HydrophobicContact CD1-CG2 3.6Å; I92-I345 HydrophobicContact CG1-CG2 4.37Å; I92-I345 HydrophobicContact CG2-CB 4.07Å; I92-I345 HydrophobicContact CG2-CG1 4.04Å; I92-I345 HydrophobicContact CG2-CG2 4.26Å; R97-I345 HydrophobicContact CB-CG1 4.46Å; N98-I345 PolarHBondContact O-N 3.2Å; L99-I345 CarbonylContact C-O 3.47Å; L99-I345 WeakPolarHBondContact CA-O 3.01Å; L99-I345 HydrophobicContact CD1-CB 4.23Å; L99-I345 HydrophobicContact CD1-CG2 4.12Å; L99-I345 WeakPolarHBondContact CD1-O 3.21Å; L100-I345 PolarHBondContact N-O 2.86Å; E343-I345 HydrophobicContact CG-CD1 4.46Å
346	Q	94.4	Very high	79.7	Confident	15 Å²	15	43 Å²	43	7%	0.07	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	116.7	170.6	176.4	158.5	49.4	0	0	109.5	V43 S44 I46 L100 R348	V43-Q346 CarbonylContact C-O 3.56Å; V43-Q346 VanDerWaalsContact CA-O 3.3Å; V43-Q346 WeakPolarHBondContact CA-O 3.18Å; S44-Q346 PolarHBondContact N-O 3.02Å; S44-Q346 PolarHBondContact O-N 3.03Å; I46-Q346 HydrophobicContact CD1-CB 3.82Å; L100-Q346 WeakPolarHBondContact O-CA 3.49Å; Q346-R348 HydrophobicContact CG-CG 4.35Å
347	L	95.1	Very high	80	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.1	177.4	175.2	57.3	0	0	0	109.5	I41 V43 I85 Q88 I92 L99 L100 A101 C102	I41-L347 HydrophobicContact CG2-CD1 3.57Å; V43-L347 HydrophobicContact CB-CD1 4.16Å; V43-L347 HydrophobicContact CG2-CB 4.48Å; V43-L347 HydrophobicContact CG2-CD1 4.17Å; I85-L347 HydrophobicContact CD1-CD2 3.51Å; I85-L347 HydrophobicContact CD1-CG 3.87Å; Q88-L347 HydrophobicContact CB-CD1 3.9Å; Q88-L347 HydrophobicContact CB-CD2 3.96Å; Q88-L347 HydrophobicContact CG-CD1 3.52Å; Q88-L347 HydrophobicContact CG-CD2 4.05Å; Q88-L347 HydrophobicContact CG-CG 4.43Å; I92-L347 HydrophobicContact CD1-CD2 4.38Å; L99-L347 HydrophobicContact CD1-CB 3.77Å; L99-L347 HydrophobicContact CD1-CD2 4.38Å; L100-L347 PolarHBondContact O-N 3.06Å; A101-L347 CarbonylContact C-O 3.59Å; A101-L347 WeakPolarHBondContact CA-O 3.46Å; C102-L347 PolarHBondContact N-O 2.74Å
348	R	92.9	Very high	80.6	Confident	59 Å²	59	43.6 Å²	43.6	22%	0.223	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.9	175.8	-59.9	-178.1	-176.5	174.2	2.6	109.2	I41 K42 C102 Q346	I41-R348 CarbonylContact C-O 3.41Å; I41-R348 WeakPolarHBondContact CA-O 3.41Å; K42-R348 HydrophobicContact CB-CB 4.35Å; K42-R348 PolarHBondContact N-O 3.5Å; K42-R348 PolarHBondContact O-N 3.04Å; C102-R348 HydrophobicContact CB-CG 4.11Å; C102-R348 CarbonylContact O-C 3.59Å; C102-R348 WeakPolarHBondContact O-CA 3.46Å; Q346-R348 HydrophobicContact CG-CG 4.35Å
349	V	90.1	Very high	81.5	Confident	18 Å²	18	39.2 Å²	39.2	11%	0.109	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127	174.6	177.5	0	0	0	0	108.3	I41 P84 I85 C102 A103 P104	I41-V349 HydrophobicContact CG1-CG2 4.39Å; P84-V349 HydrophobicContact CB-CG1 3.7Å; P84-V349 HydrophobicContact CB-CG2 4.41Å; I85-V349 HydrophobicContact CB-CG2 4Å; I85-V349 HydrophobicContact CD1-CG2 3.97Å; C102-V349 PolarHBondContact O-N 3.26Å; A103-V349 HydrophobicContact CB-CB 3.92Å; A103-V349 HydrophobicContact CB-CG2 4.34Å; P104-V349 WeakPolarHBondContact CD-O 3.42Å
350	G	82.4	Confident	82.6	Confident	27 Å²	27	41 Å²	41	28%	0.278	23%	0.225	S	C	.	.	S	Bend	trans	78.6	-171.2	179.4	0	0	0	0	0	114.3	D40	D40-G350 PolarHBondContact O-N 3.4Å
351	I	71.9	Confident	83.7	Confident	111 Å²	111	37.4 Å²	37.4	57%	0.569	20%	0.199	S	C	*	.	S	Bend	trans	-76.9	128.4	-174.6	-55.3	173.2	0	0	0	110.6	N353 A354	I351-N353 PolarHBondContact O-N 3.22Å; I351-A354 HydrophobicContact CB-CB 3.77Å; I351-A354 HydrophobicContact CG2-CB 3.74Å; I351-A354 PolarHBondContact O-N 3.03Å
352	R	68.5	Low	84.5	Confident	71 Å²	71	34.4 Å²	34.4	27%	0.268	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	119	-178.1	-172.7	-172.2	-177.7	-168	0.4	111.4	V319 D321 A354 R508	V319-R352 PolarHBondContact O-NH2 3.2Å; D321-R352 IonicContact OD1-CZ 3.46Å; D321-R352 IonicContact OD1-NH1 2.77Å; D321-R352 PolarHBondContact OD1-NH1 3.41Å; D321-R352 IonicContact OD1-NH2 3.54Å; D321-R352 PolarHBondContact OD1-NH2 3.09Å; D321-R352 IonicContact OD2-CZ 3.44Å; D321-R352 IonicContact OD2-NH1 3.6Å; D321-R352 IonicContact OD2-NH2 3.81Å; D321-R352 PolarHBondContact OD2-NH2 2.89Å; R352-A354 VanDerWaalsContact C-N 3.25Å; R352-A354 PolarHBondContact O-N 3.34Å; R352-R508 PolarHBondContact O-NH1 2.81Å; R352-R508 VanDerWaalsContact O-NH1 3.14Å
353	N	68.3	Low	85	Confident	11 Å²	11	36.1 Å²	36.1	6%	0.059	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	31.3	177.6	-51.1	-43.8	0	0	0	113.5	I351 I472	I351-N353 PolarHBondContact O-N 3.22Å; N353-I472 HydrophobicContact CB-CD1 3.96Å; N353-I472 WeakPolarHBondContact O-CD1 3.33Å
354	A	70.7	Confident	85.2	Confident	18 Å²	18	37.2 Å²	37.2	15%	0.149	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-92.5	150.5	169.1	0	0	0	0	0	110.4	I351 R352 R508	I351-A354 HydrophobicContact CB-CB 3.77Å; I351-A354 HydrophobicContact CG2-CB 3.74Å; I351-A354 PolarHBondContact O-N 3.03Å; R352-A354 VanDerWaalsContact C-N 3.25Å; R352-A354 PolarHBondContact O-N 3.34Å; A354-R508 HydrophobicContact CB-CB 4.2Å
355	A	73.8	Confident	85.1	Confident	8 Å²	8	42.7 Å²	42.7	7%	0.066	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-72.3	166.7	163.8	0	0	0	0	0	110.2	S357 V475 V505	A355-S357 PolarHBondContact O-N 3.19Å; A355-V475 HydrophobicContact CB-CG1 4.08Å; A355-V505 HydrophobicContact CB-CG1 3.85Å
356	V	75.8	Confident	84.9	Confident	39 Å²	39	43.3 Å²	43.3	24%	0.236	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-65.5	125.3	175.7	-173.8	0	0	0	0	108.7	T358 V359	V356-T358 VanDerWaalsContact CG1-OG1 3.29Å; V356-T358 WeakPolarHBondContact CG1-OG1 2.84Å; V356-T358 PolarHBondContact O-N 3.03Å; V356-V359 HydrophobicContact CB-CG2 4.07Å; V356-V359 WeakPolarHBondContact O-CB 3.31Å; V356-V359 PolarHBondContact O-N 2.77Å; V356-V359 VanDerWaalsContact O-N 3.1Å
357	S	78.9	Confident	84.2	Confident	99 Å²	99	44.8 Å²	44.8	69%	0.692	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.2	-174.9	50.5	0	0	0	0	114	A355 V359	A355-S357 PolarHBondContact O-N 3.19Å; S357-V359 PolarHBondContact O-N 3.24Å
358	T	85.1	Confident	83.6	Confident	37 Å²	37	48.6 Å²	48.6	23%	0.227	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-5.5	175.7	60.8	0	0	0	0	113.6	V356 G479 H483 G485	V356-T358 VanDerWaalsContact CG1-OG1 3.29Å; V356-T358 WeakPolarHBondContact CG1-OG1 2.84Å; V356-T358 PolarHBondContact O-N 3.03Å; T358-G479 PolarHBondContact OG1-O 3.31Å; T358-G479 VanDerWaalsContact OG1-O 3.07Å; T358-H483 PolarHBondContact OG1-O 2.91Å; T358-G485 PolarHBondContact O-N 3.4Å
359	V	87.9	Confident	83.1	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	115.2	-179.5	-175.2	0	0	0	0	110.6	V356 S357 Q361 V475 T478 G485 A487	V356-V359 HydrophobicContact CB-CG2 4.07Å; V356-V359 WeakPolarHBondContact O-CB 3.31Å; V356-V359 PolarHBondContact O-N 2.77Å; V356-V359 VanDerWaalsContact O-N 3.1Å; S357-V359 PolarHBondContact O-N 3.24Å; V359-Q361 HydrophobicContact CG1-CG 4.35Å; V359-Q361 PolarHBondContact O-N 3.47Å; V359-V475 HydrophobicContact CB-CG1 3.97Å; V359-V475 HydrophobicContact CG1-CG1 3.52Å; V359-V475 HydrophobicContact CG2-CG1 4.4Å; V359-T478 HydrophobicContact CB-CG2 4.5Å; V359-T478 HydrophobicContact CG1-CG2 3.65Å; V359-T478 HydrophobicContact CG2-CG2 3.97Å; V359-G485 CarbonylContact C-O 3.54Å; V359-G485 WeakPolarHBondContact CA-O 3.07Å; V359-A487 HydrophobicContact CG1-CB 3.75Å
360	K	91.8	Very high	82.9	Confident	137 Å²	137	48.5 Å²	48.5	60%	0.596	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	116.9	169.3	-176.3	177.4	179.5	178.6	0	109.1	E362 G485 R486 A487	K360-E362 WeakPolarHBondContact CE-OE1 3.49Å; K360-E362 IonicContact NZ-OE1 3.28Å; K360-G485 PolarHBondContact N-O 3.13Å; K360-R486 CarbonylContact O-C 3.57Å; K360-R486 WeakPolarHBondContact O-CA 3.47Å; K360-A487 PolarHBondContact O-N 2.83Å
361	Q	93.7	Very high	83.2	Confident	12 Å²	12	47.9 Å²	47.9	6%	0.056	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.1	-177.6	-70.4	162.5	84.6	0	0	110.1	V359 Y471 V475 A487 M506 S509 S511	V359-Q361 HydrophobicContact CG1-CG 4.35Å; V359-Q361 PolarHBondContact O-N 3.47Å; Q361-Y471 VanDerWaalsContact OE1-CE1 3.29Å; Q361-Y471 PolarHBondContact OE1-OH 3.14Å; Q361-V475 HydrophobicContact CG-CG1 3.91Å; Q361-A487 CarbonylContact C-O 3.49Å; Q361-A487 WeakPolarHBondContact CA-O 3.31Å; Q361-A487 HydrophobicContact CG-CB 4.37Å; Q361-M506 HydrophobicContact CB-CE 3.96Å; Q361-M506 HydrophobicContact CB-CG 4.25Å; Q361-M506 HydrophobicContact CB-SD 4.46Å; Q361-S509 PolarHBondContact NE2-OG 3.2Å; Q361-S511 PolarHBondContact NE2-OG 3.5Å; Q361-S511 VanDerWaalsContact NE2-OG 3.16Å
362	E	93.3	Very high	84.1	Confident	33 Å²	33	42.6 Å²	42.6	15%	0.154	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.5	-179.7	-68.5	173.4	-155	0	0	110.3	K360 R364 R486 A487 I488 T489	K360-E362 WeakPolarHBondContact CE-OE1 3.49Å; K360-E362 IonicContact NZ-OE1 3.28Å; E362-R364 IonicContact OE2-NE 3.14Å; E362-R364 IonicContact OE2-NH2 3.41Å; E362-R364 PolarHBondContact OE2-NH2 2.98Å; E362-R486 VanDerWaalsContact CD-NH2 3.28Å; E362-R486 IonicContact OE1-CZ 3.7Å; E362-R486 VanDerWaalsContact OE1-CZ 3.31Å; E362-R486 IonicContact OE1-NE 3.62Å; E362-R486 PolarHBondContact OE1-NE 3.37Å; E362-R486 IonicContact OE1-NH2 3.79Å; E362-R486 PolarHBondContact OE1-NH2 3.36Å; E362-R486 IonicContact OE2-CZ 3.44Å; E362-R486 IonicContact OE2-NE 2.66Å; E362-R486 PolarHBondContact OE2-NE 2.85Å; E362-R486 IonicContact OE2-NH2 2.86Å; E362-R486 PolarHBondContact OE2-NH2 3.43Å; E362-A487 PolarHBondContact N-O 3.36Å; E362-I488 HydrophobicContact CB-CG1 4.32Å; E362-I488 CarbonylContact O-C 3.56Å; E362-I488 WeakPolarHBondContact O-CA 3.49Å; E362-T489 PolarHBondContact O-N 2.71Å
363	L	94.1	Very high	85.1	Confident	39 Å²	39	39.3 Å²	39.3	20%	0.204	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.7	171.4	-59.7	-179.8	0	0	0	108.4	T489 M499 I502 L503 M506 L517	L363-T489 HydrophobicContact CD2-CG2 4.22Å; L363-M499 HydrophobicContact CD1-CE 3.66Å; L363-M499 HydrophobicContact CD2-CE 4.12Å; L363-M499 HydrophobicContact CG-CE 4.41Å; L363-I502 HydrophobicContact CD2-CG2 4.16Å; L363-L503 HydrophobicContact CD1-CD2 3.71Å; L363-M506 HydrophobicContact CD1-CE 4.26Å; L363-M506 HydrophobicContact CD1-SD 3.65Å; L363-M506 HydrophobicContact CD2-SD 3.8Å; L363-M506 HydrophobicContact CG-CE 4Å; L363-M506 HydrophobicContact CG-SD 3.62Å; L363-L517 HydrophobicContact CD1-CD2 3.58Å
364	R	93	Very high	86.2	Confident	45 Å²	45	43.2 Å²	43.2	17%	0.17	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	118	177	-62.3	-167.6	-174.5	-165.6	-2.4	110	E362 E375 L379 I488 T489 L490 W491	E362-R364 IonicContact OE2-NE 3.14Å; E362-R364 IonicContact OE2-NH2 3.41Å; E362-R364 PolarHBondContact OE2-NH2 2.98Å; R364-E375 WeakPolarHBondContact CD-OE1 3.32Å; R364-E375 IonicContact CZ-OE1 3.66Å; R364-E375 IonicContact NE-OE1 3.38Å; R364-E375 IonicContact NH1-OE1 3.7Å; R364-E375 PolarHBondContact NH1-OE1 3.46Å; R364-L379 VanDerWaalsContact NH1-CD2 3.27Å; R364-I488 HydrophobicContact CG-CG2 3.91Å; R364-T489 PolarHBondContact N-O 3.39Å; R364-L490 HydrophobicContact CB-CD2 3.87Å; R364-W491 VanDerWaalsContact C-CD1 3.49Å; R364-W491 PolarHBondContact O-N 3.35Å
365	Y	91.4	Very high	87.2	Confident	116 Å²	116	44.4 Å²	44.4	46%	0.455	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	127.4	176.2	-179.8	-119.5	0	0	0	110	A367 W491 D493	Y365-A367 HydrophobicContact CE1-CB 3.88Å; Y365-W491 AromaticContact CD2-CD2 3.94Å; Y365-W491 HydrophobicContact CD2-CD2 3.94Å; Y365-W491 AromaticContact CD2-CE2 3.65Å; Y365-W491 AromaticContact CD2-CE3 3.94Å; Y365-W491 HydrophobicContact CD2-CE3 3.94Å; Y365-W491 AromaticContact CD2-CH2 3.35Å; Y365-W491 HydrophobicContact CD2-CH2 3.35Å; Y365-W491 AromaticContact CD2-CZ2 3.37Å; Y365-W491 HydrophobicContact CD2-CZ2 3.37Å; Y365-W491 AromaticContact CD2-CZ3 3.66Å; Y365-W491 HydrophobicContact CD2-CZ3 3.66Å; Y365-W491 HydrophobicContact CE2-CE3 4.34Å; Y365-W491 AromaticContact CE2-CH2 3.72Å; Y365-W491 HydrophobicContact CE2-CH2 3.72Å; Y365-W491 HydrophobicContact CE2-CZ2 4.21Å; Y365-W491 AromaticContact CE2-CZ3 3.81Å; Y365-W491 HydrophobicContact CE2-CZ3 3.81Å; Y365-W491 HydrophobicContact CG-CH2 4.16Å; Y365-W491 AromaticContact CG-CZ2 3.84Å; Y365-W491 HydrophobicContact CG-CZ2 3.84Å; Y365-D493 WeakPolarHBondContact CE2-OD1 3.29Å; Y365-D493 VanDerWaalsContact CZ-OD1 3.32Å; Y365-D493 PolarHBondContact OH-OD1 3.21Å; Y365-D493 PolarHBondContact OH-OD2 3.43Å
366	C	89.7	Confident	88.1	Confident	13 Å²	13	44.1 Å²	44.1	9%	0.088	24%	0.237	C	C	.	.			trans	-113.9	-1.5	-176.1	-63.6	0	0	0	0	113.7	T368 G371 K372 W491 T492	C366-T368 PolarHBondContact O-N 3.27Å; C366-G371 WeakPolarHBondContact O-CA 3.38Å; C366-K372 HydrophobicContact CB-CB 4.42Å; C366-K372 HydrophobicContact CB-CG 3.65Å; C366-W491 PolarHBondContact N-O 3.03Å; C366-T492 HydrophobicContact CB-CG2 4.1Å
367	A	79.4	Confident	88.8	Confident	45 Å²	45	45.2 Å²	45.2	37%	0.372	24%	0.236	S	C	.	.	S	Bend	trans	57	-58.6	-172	0	0	0	0	0	115.4	Y365	Y365-A367 HydrophobicContact CE1-CB 3.88Å
368	T	83.6	Confident	89.4	Confident	81 Å²	81	46.8 Å²	46.8	50%	0.497	23%	0.228	S	C	.	.	S	Bend	trans	-123.4	167.7	-178.1	67.9	0	0	0	0	112.5	C366 Q370 G371 K372 T492	C366-T368 PolarHBondContact O-N 3.27Å; T368-Q370 PolarHBondContact O-N 3.19Å; T368-Q370 PolarHBondContact OG1-N 3.22Å; T368-G371 PolarHBondContact O-N 2.91Å; T368-G371 VanDerWaalsContact O-N 3.12Å; T368-G371 PolarHBondContact OG1-N 2.65Å; T368-K372 PolarHBondContact O-N 3.14Å; T368-T492 WeakPolarHBondContact O-CG2 3.42Å
369	E	82.4	Confident	89.7	Confident	39 Å²	39	45 Å²	45	18%	0.182	22%	0.217	C	C	.	.	H	α-helix	trans	-60.7	-29.3	171.3	-72.1	-61.9	109.3	0	0	112.8	K372 L373 R397 R590	E369-K372 WeakPolarHBondContact O-CB 3.36Å; E369-K372 PolarHBondContact O-N 2.66Å; E369-L373 PolarHBondContact O-N 2.83Å; E369-R397 IonicContact OE2-CZ 3.7Å; E369-R397 IonicContact OE2-NH1 3.88Å; E369-R397 IonicContact OE2-NH2 2.72Å; E369-R397 PolarHBondContact OE2-NH2 3.35Å; E369-R590 VanDerWaalsContact CD-NH1 3.27Å; E369-R590 IonicContact OE1-CZ 3.62Å; E369-R590 IonicContact OE1-NE 3.61Å; E369-R590 IonicContact OE1-NH1 2.78Å; E369-R590 PolarHBondContact OE1-NH1 3.42Å; E369-R590 IonicContact OE1-NH2 3.42Å; E369-R590 PolarHBondContact OE1-NH2 2.88Å; E369-R590 IonicContact OE2-CZ 3.5Å; E369-R590 IonicContact OE2-NH1 3.99Å; E369-R590 PolarHBondContact OE2-NH1 2.72Å; E369-R590 VanDerWaalsContact OE2-NH1 3.15Å
370	Q	84.3	Confident	89.7	Confident	35 Å²	35	45.6 Å²	45.6	16%	0.164	22%	0.22	C	C	.	.	H	α-helix	trans	-68.7	-39.8	174.4	-179.6	48.1	21.6	0	0	111.6	T368 K372 L373 L374 V596 P597	T368-Q370 PolarHBondContact O-N 3.19Å; T368-Q370 PolarHBondContact OG1-N 3.22Å; Q370-K372 PolarHBondContact O-N 3.25Å; Q370-L373 PolarHBondContact O-N 3.2Å; Q370-L373 VanDerWaalsContact O-N 3.12Å; Q370-L374 HydrophobicContact CG-CD1 4.45Å; Q370-L374 PolarHBondContact O-N 3.27Å; Q370-V596 VanDerWaalsContact CA-CG1 3.49Å; Q370-V596 HydrophobicContact CB-CG1 3.44Å; Q370-V596 VanDerWaalsContact CB-CG1 3.44Å; Q370-V596 HydrophobicContact CG-CG1 4.08Å; Q370-P597 PolarHBondContact NE2-O 3.48Å; Q370-P597 PolarHBondContact OE1-O 3.16Å
371	G	88.7	Confident	89.5	Confident	15 Å²	15	42.5 Å²	42.5	16%	0.155	22%	0.22	C	C	.	.	H	α-helix	trans	-59.2	-35.5	173	0	0	0	0	0	112.1	C366 T368 L373 L374 E375	C366-G371 WeakPolarHBondContact O-CA 3.38Å; T368-G371 PolarHBondContact O-N 2.91Å; T368-G371 VanDerWaalsContact O-N 3.12Å; T368-G371 PolarHBondContact OG1-N 2.65Å; G371-L373 VanDerWaalsContact C-N 3.33Å; G371-L373 PolarHBondContact O-N 3.38Å; G371-L374 PolarHBondContact O-N 3.03Å; G371-E375 VanDerWaalsContact O-CB 3.28Å; G371-E375 WeakPolarHBondContact O-CB 3.31Å; G371-E375 PolarHBondContact O-N 2.78Å
372	K	91	Very high	88.9	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-62.3	-40.2	175.1	-63	-164.5	178.9	-155.6	0	112.3	C366 T368 E369 Q370 M376 Y462 L490 T492 D495 R590	C366-K372 HydrophobicContact CB-CB 4.42Å; C366-K372 HydrophobicContact CB-CG 3.65Å; T368-K372 PolarHBondContact O-N 3.14Å; E369-K372 WeakPolarHBondContact O-CB 3.36Å; E369-K372 PolarHBondContact O-N 2.66Å; Q370-K372 PolarHBondContact O-N 3.25Å; K372-M376 WeakPolarHBondContact O-CG 3.4Å; K372-M376 PolarHBondContact O-N 3.34Å; K372-Y462 HydrophobicContact CB-CE1 4.15Å; K372-Y462 HydrophobicContact CB-CE2 4.15Å; K372-Y462 HydrophobicContact CD-CE1 4.27Å; K372-Y462 PolarHBondContact NZ-O 3.23Å; K372-L490 HydrophobicContact CB-CD1 4.32Å; K372-L490 HydrophobicContact CD-CB 4.24Å; K372-L490 HydrophobicContact CG-CB 4.28Å; K372-L490 PolarHBondContact NZ-O 3.24Å; K372-T492 HydrophobicContact CD-CG2 4.28Å; K372-T492 HydrophobicContact CG-CG2 4.07Å; K372-D495 IonicContact NZ-OD2 3.78Å; K372-D495 PolarHBondContact NZ-OD2 2.88Å; K372-R590 VanDerWaalsContact CE-NH1 3.32Å
373	L	90.2	Very high	88.3	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-68.2	-41.8	177.2	-178.8	61.4	0	0	0	111.6	E369 Q370 G371 M376 R377 I401 E404 Y462 I593 A599	E369-L373 PolarHBondContact O-N 2.83Å; Q370-L373 PolarHBondContact O-N 3.2Å; Q370-L373 VanDerWaalsContact O-N 3.12Å; G371-L373 VanDerWaalsContact C-N 3.33Å; G371-L373 PolarHBondContact O-N 3.38Å; L373-M376 PolarHBondContact O-N 2.85Å; L373-R377 PolarHBondContact O-N 3.05Å; L373-I401 HydrophobicContact CD1-CD1 3.88Å; L373-E404 HydrophobicContact CD1-CB 4.29Å; L373-E404 HydrophobicContact CD1-CG 4.07Å; L373-Y462 PolarHBondContact N-OH 3.1Å; L373-I593 HydrophobicContact CD1-CG2 4.14Å; L373-I593 HydrophobicContact CD2-CG2 4.16Å; L373-A599 HydrophobicContact CD2-CB 4.21Å
374	L	90.4	Very high	88.1	Confident	93 Å²	93	46.3 Å²	46.3	49%	0.487	25%	0.246	S	C	.	.	H	α-helix	trans	-61.3	-45.3	175	-69	172.9	0	0	0	111.4	Q370 G371 M376 R377 Y378	Q370-L374 HydrophobicContact CG-CD1 4.45Å; Q370-L374 PolarHBondContact O-N 3.27Å; G371-L374 PolarHBondContact O-N 3.03Å; L374-M376 VanDerWaalsContact C-N 3.31Å; L374-M376 PolarHBondContact O-N 3.25Å; L374-R377 WeakPolarHBondContact O-CB 3.44Å; L374-R377 PolarHBondContact O-N 2.68Å; L374-R377 VanDerWaalsContact O-N 3.11Å; L374-Y378 PolarHBondContact O-N 3.42Å
375	E	92.9	Very high	87.9	Confident	43 Å²	43	46.1 Å²	46.1	20%	0.201	25%	0.254	C	S	.	.	H	α-helix	trans	-62.6	-38.6	177.3	-171.5	56.3	-149.7	0	0	111.7	R364 G371 R377 Y378 L379 L490	R364-E375 WeakPolarHBondContact CD-OE1 3.32Å; R364-E375 IonicContact CZ-OE1 3.66Å; R364-E375 IonicContact NE-OE1 3.38Å; R364-E375 IonicContact NH1-OE1 3.7Å; R364-E375 PolarHBondContact NH1-OE1 3.46Å; G371-E375 VanDerWaalsContact O-CB 3.28Å; G371-E375 WeakPolarHBondContact O-CB 3.31Å; G371-E375 PolarHBondContact O-N 2.78Å; E375-R377 PolarHBondContact O-N 2.92Å; E375-Y378 PolarHBondContact O-N 3.3Å; E375-L379 WeakPolarHBondContact O-CB 3.43Å; E375-L379 WeakPolarHBondContact O-CG 3.3Å; E375-L379 PolarHBondContact O-N 3.33Å; E375-L490 HydrophobicContact CB-CD1 4.4Å; E375-L490 HydrophobicContact CB-CD2 4.4Å; E375-L490 HydrophobicContact CG-CD1 4.39Å; E375-L490 HydrophobicContact CG-CD2 3.59Å
376	M	92.7	Very high	87.9	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-39.9	172.3	-79	-53.8	-61.6	0	0	113.2	K372 L373 L374 Y378 L379 L380 I390 V460 Y462 L490	K372-M376 WeakPolarHBondContact O-CG 3.4Å; K372-M376 PolarHBondContact O-N 3.34Å; L373-M376 PolarHBondContact O-N 2.85Å; L374-M376 VanDerWaalsContact C-N 3.31Å; L374-M376 PolarHBondContact O-N 3.25Å; M376-Y378 VanDerWaalsContact C-N 3.34Å; M376-L379 PolarHBondContact O-N 3.45Å; M376-L379 HydrophobicContact SD-CD1 4.03Å; M376-L380 WeakPolarHBondContact O-CB 3.47Å; M376-L380 WeakPolarHBondContact O-CD1 3.42Å; M376-L380 WeakPolarHBondContact O-CG 3.49Å; M376-L380 PolarHBondContact O-N 3Å; M376-I390 HydrophobicContact CE-CD1 3.62Å; M376-I390 HydrophobicContact CE-CG1 4.39Å; M376-V460 HydrophobicContact CE-CG1 4.37Å; M376-V460 HydrophobicContact SD-CG1 3.69Å; M376-Y462 HydrophobicContact CB-CE2 4.26Å; M376-Y462 HydrophobicContact CG-CD2 3.24Å; M376-Y462 HydrophobicContact CG-CE2 3.23Å; M376-Y462 HydrophobicContact SD-CD2 3.76Å; M376-Y462 HydrophobicContact SD-CE2 4.36Å; M376-L490 HydrophobicContact CG-CD1 3.86Å; M376-L490 HydrophobicContact SD-CD1 3.76Å
377	R	89.6	Confident	88	Confident	62 Å²	62	45.8 Å²	45.8	23%	0.234	26%	0.255	C	S	.	.	H	α-helix	trans	-65.2	-40.5	175.5	-71.2	-178.6	-175.8	163.2	6.8	111.5	L373 L374 E375 L379 L380 A381 E404 G598	L373-R377 PolarHBondContact O-N 3.05Å; L374-R377 WeakPolarHBondContact O-CB 3.44Å; L374-R377 PolarHBondContact O-N 2.68Å; L374-R377 VanDerWaalsContact O-N 3.11Å; E375-R377 PolarHBondContact O-N 2.92Å; R377-L379 VanDerWaalsContact C-N 3.35Å; R377-L380 PolarHBondContact O-N 2.75Å; R377-A381 PolarHBondContact O-N 2.89Å; R377-E404 IonicContact CZ-OE2 3.81Å; R377-E404 IonicContact NE-OE2 2.93Å; R377-E404 IonicContact NH2-OE2 2.75Å; R377-E404 PolarHBondContact NH2-OE2 3.22Å; R377-G598 PolarHBondContact NH1-O 3.16Å; R377-G598 VanDerWaalsContact NH1-O 3.16Å; R377-G598 PolarHBondContact NH2-O 3.37Å
378	Y	91.4	Very high	88.7	Confident	131 Å²	131	43.6 Å²	43.6	51%	0.514	24%	0.237	S	C	.	.	H	α-helix	trans	-60.5	-45.2	173.2	177.2	-102.5	0	0	0	111.7	L374 E375 M376 A381 N382	L374-Y378 PolarHBondContact O-N 3.42Å; E375-Y378 PolarHBondContact O-N 3.3Å; M376-Y378 VanDerWaalsContact C-N 3.34Å; Y378-A381 PolarHBondContact O-N 3.34Å; Y378-N382 PolarHBondContact O-N 2.99Å
379	L	92.5	Very high	89.1	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.4	-44.9	174.3	-75	173.1	0	0	0	111.9	R364 E375 M376 R377 A381 G383 L384 V460 I488 L490	R364-L379 VanDerWaalsContact NH1-CD2 3.27Å; E375-L379 WeakPolarHBondContact O-CB 3.43Å; E375-L379 WeakPolarHBondContact O-CG 3.3Å; E375-L379 PolarHBondContact O-N 3.33Å; M376-L379 PolarHBondContact O-N 3.45Å; M376-L379 HydrophobicContact SD-CD1 4.03Å; R377-L379 VanDerWaalsContact C-N 3.35Å; L379-A381 VanDerWaalsContact C-N 3.3Å; L379-A381 PolarHBondContact O-N 3.18Å; L379-G383 CarbonylContact O-C 3.53Å; L379-G383 VanDerWaalsContact O-CA 3.3Å; L379-G383 WeakPolarHBondContact O-CA 3.15Å; L379-G383 PolarHBondContact O-N 2.93Å; L379-L384 HydrophobicContact CB-CD2 4.07Å; L379-L384 HydrophobicContact CB-CG 4.31Å; L379-L384 WeakPolarHBondContact O-CG 3.22Å; L379-L384 PolarHBondContact O-N 2.79Å; L379-V460 HydrophobicContact CD1-CG1 4.24Å; L379-I488 HydrophobicContact CD1-CD1 4.48Å; L379-I488 HydrophobicContact CD1-CG2 4.43Å; L379-I488 HydrophobicContact CD2-CD1 3.62Å; L379-L490 HydrophobicContact CD1-CD2 4.45Å
380	L	88.7	Confident	89.7	Confident	15 Å²	15	37.9 Å²	37.9	8%	0.079	21%	0.205	C	C	.	.	H	α-helix	trans	-59.2	-41.3	177.9	-73.9	160.1	0	0	0	111.9	M376 R377 L384 I405 I412	M376-L380 WeakPolarHBondContact O-CB 3.47Å; M376-L380 WeakPolarHBondContact O-CD1 3.42Å; M376-L380 WeakPolarHBondContact O-CG 3.49Å; M376-L380 PolarHBondContact O-N 3Å; R377-L380 PolarHBondContact O-N 2.75Å; L380-L384 HydrophobicContact CD2-CD1 3.51Å; L380-L384 HydrophobicContact CG-CD1 4.17Å; L380-I405 HydrophobicContact CD1-CB 4.5Å; L380-I405 HydrophobicContact CD1-CG1 3.81Å; L380-I405 HydrophobicContact CD2-CB 4.44Å; L380-I405 HydrophobicContact CD2-CD1 4.38Å; L380-I405 HydrophobicContact CD2-CG1 3.9Å; L380-I405 HydrophobicContact CD2-CG2 3.98Å; L380-I405 HydrophobicContact CG-CG1 4.48Å; L380-I412 HydrophobicContact CB-CD1 4.38Å; L380-I412 HydrophobicContact CD2-CD1 3.77Å
381	A	86	Confident	90.1	Very high	72 Å²	72	36.4 Å²	36.4	60%	0.595	20%	0.198	S	C	*	.	H	α-helix	trans	-74.6	-40.8	-177.9	0	0	0	0	0	113.7	R377 Y378 L379	R377-A381 PolarHBondContact O-N 2.89Å; Y378-A381 PolarHBondContact O-N 3.34Å; L379-A381 VanDerWaalsContact C-N 3.3Å; L379-A381 PolarHBondContact O-N 3.18Å
382	N	82.6	Confident	90.1	Very high	126 Å²	126	35.7 Å²	35.7	67%	0.674	19%	0.191	S	C	*	.	H	α-helix	trans	-135.8	-1.9	-165.7	-63.7	-56.2	0	0	0	115.1	Y378	Y378-N382 PolarHBondContact O-N 2.99Å
383	G	80.7	Confident	89.6	Confident	16 Å²	16	37.2 Å²	37.2	17%	0.165	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.3	-16.1	-160.8	0	0	0	0	0	117	L379 M458	L379-G383 CarbonylContact O-C 3.53Å; L379-G383 VanDerWaalsContact O-CA 3.3Å; L379-G383 WeakPolarHBondContact O-CA 3.15Å; L379-G383 PolarHBondContact O-N 2.93Å; G383-M458 WeakPolarHBondContact O-CE 3.43Å
384	L	88.1	Confident	89.2	Confident	22 Å²	22	38.4 Å²	38.4	12%	0.115	21%	0.206	C	C	.	.			trans	-79.5	133.2	-178.4	-71.9	-170.4	0	0	0	111.6	L379 L380 Y386 V440 M458 V460	L379-L384 HydrophobicContact CB-CD2 4.07Å; L379-L384 HydrophobicContact CB-CG 4.31Å; L379-L384 WeakPolarHBondContact O-CG 3.22Å; L379-L384 PolarHBondContact O-N 2.79Å; L380-L384 HydrophobicContact CD2-CD1 3.51Å; L380-L384 HydrophobicContact CG-CD1 4.17Å; L384-Y386 HydrophobicContact CB-CE1 3.92Å; L384-Y386 HydrophobicContact CD1-CE1 4.05Å; L384-V440 HydrophobicContact CD1-CG2 4.23Å; L384-M458 HydrophobicContact CD2-SD 3.72Å; L384-V460 HydrophobicContact CD2-CG2 3.94Å
385	A	90.8	Very high	88.9	Confident	40 Å²	40	38.1 Å²	38.1	33%	0.331	20%	0.199	S	C	.	.			trans	-106.5	127.5	167.4	0	0	0	0	0	108.9	C388 M458	A385-C388 WeakPolarHBondContact O-CB 3.5Å; A385-M458 HydrophobicContact CB-CB 4.22Å; A385-M458 HydrophobicContact CB-CE 4Å; A385-M458 WeakPolarHBondContact O-CB 3.32Å
386	Y	90.2	Very high	88.6	Confident	85 Å²	85	40.9 Å²	40.9	33%	0.333	22%	0.215	S	C	.	.	S	Bend	trans	-94.1	150.3	-178.8	-52.4	-61.7	0	0	0	111.3	L384 C388 I412 H439 V440 S457	L384-Y386 HydrophobicContact CB-CE1 3.92Å; L384-Y386 HydrophobicContact CD1-CE1 4.05Å; Y386-C388 HydrophobicContact CD1-CB 4.13Å; Y386-I412 HydrophobicContact CE1-CG2 4.45Å; Y386-I412 WeakPolarHBondContact OH-CD1 3.44Å; Y386-H439 HydrophobicContact CD1-CB 3.6Å; Y386-H439 WeakPolarHBondContact CD1-O 3.44Å; Y386-H439 HydrophobicContact CD2-CB 4.47Å; Y386-H439 HydrophobicContact CE1-CB 3.89Å; Y386-H439 HydrophobicContact CG-CB 3.91Å; Y386-V440 HydrophobicContact CD1-CG2 4.06Å; Y386-V440 HydrophobicContact CE1-CG2 3.6Å; Y386-S457 WeakPolarHBondContact O-CB 2.96Å; Y386-S457 PolarHBondContact O-OG 3.14Å
387	P	92	Very high	88.4	Confident	37 Å²	37	41.1 Å²	41.1	24%	0.24	22%	0.216	C	C	.	.	S	Bend	cis	-66	136.4	-9.4	-17.6	30.8	0	0	0	112.8	F433 G455 S457 M458	P387-F433 HydrophobicContact CB-CE1 4.08Å; P387-F433 HydrophobicContact CB-CE2 3.73Å; P387-F433 HydrophobicContact CB-CZ 3.43Å; P387-F433 VanDerWaalsContact CB-CZ 3.43Å; P387-G455 WeakPolarHBondContact CD-O 3.39Å; P387-S457 PolarHBondContact O-N 3.23Å; P387-M458 PolarHBondContact O-N 3.41Å
388	C	93.3	Very high	88.4	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	134.2	-176.5	179.7	0	0	0	0	112.2	A385 Y386 H439 V440 L441 M458	A385-C388 WeakPolarHBondContact O-CB 3.5Å; Y386-C388 HydrophobicContact CD1-CB 4.13Å; C388-H439 PolarHBondContact N-O 3.17Å; C388-V440 HydrophobicContact CB-CG2 4.31Å; C388-V440 WeakPolarHBondContact O-CA 3.13Å; C388-L441 PolarHBondContact O-N 3.21Å; C388-M458 WeakPolarHBondContact CA-O 3.4Å; C388-M458 HydrophobicContact CB-CB 4.5Å
389	L	93.1	Very high	88.4	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.7	172.2	-69.5	-177.3	0	0	0	111.5	F433 L441 F453 V456 M458 V459 V460 R477	L389-F433 HydrophobicContact CD2-CE1 3.77Å; L389-F433 HydrophobicContact CD2-CE2 4.37Å; L389-F433 HydrophobicContact CD2-CZ 3.61Å; L389-F433 HydrophobicContact CG-CE1 4.4Å; L389-F433 HydrophobicContact CG-CZ 4.14Å; L389-L441 WeakPolarHBondContact CA-O 3.29Å; L389-L441 HydrophobicContact CD2-CB 3.81Å; L389-L441 HydrophobicContact CD2-CD2 3.96Å; L389-L441 HydrophobicContact CD2-CG 4.25Å; L389-F453 HydrophobicContact CD1-CB 3.98Å; L389-F453 HydrophobicContact CD1-CD1 4.37Å; L389-F453 HydrophobicContact CD1-CD2 3.45Å; L389-F453 VanDerWaalsContact CD1-CD2 3.45Å; L389-F453 HydrophobicContact CD1-CE2 3.92Å; L389-F453 HydrophobicContact CD1-CG 3.69Å; L389-F453 HydrophobicContact CD2-CD1 4.03Å; L389-F453 HydrophobicContact CD2-CD2 4.38Å; L389-F453 HydrophobicContact CD2-CE1 4.07Å; L389-F453 HydrophobicContact CD2-CE2 4.38Å; L389-F453 HydrophobicContact CD2-CG 4.19Å; L389-F453 HydrophobicContact CD2-CZ 4.22Å; L389-F453 HydrophobicContact CG-CG 4.48Å; L389-V456 HydrophobicContact CB-CG1 4.24Å; L389-V456 HydrophobicContact CD1-CB 4.44Å; L389-V456 HydrophobicContact CD1-CG1 3.98Å; L389-V456 HydrophobicContact CD1-CG2 3.72Å; L389-V456 HydrophobicContact CG-CG1 3.78Å; L389-V456 HydrophobicContact CG-CG2 3.92Å; L389-M458 PolarHBondContact N-O 3.14Å; L389-V459 HydrophobicContact CB-CG2 4.39Å; L389-V459 CarbonylContact O-C 3.38Å; L389-V459 WeakPolarHBondContact O-CA 3.47Å; L389-V460 PolarHBondContact O-N 2.86Å; L389-R477 HydrophobicContact CD1-CB 3.69Å; L389-R477 HydrophobicContact CD1-CG 4.1Å
390	I	94.3	Very high	88.3	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	122.3	175.6	-56.3	175.2	0	0	0	109.4	M376 M392 I405 V440 L441 I442 C443 V460	M376-I390 HydrophobicContact CE-CD1 3.62Å; M376-I390 HydrophobicContact CE-CG1 4.39Å; I390-M392 HydrophobicContact CG2-CG 4.21Å; I390-I405 HydrophobicContact CD1-CD1 3.8Å; I390-V440 HydrophobicContact CD1-CG1 3.44Å; I390-V440 VanDerWaalsContact CD1-CG1 3.44Å; I390-V440 HydrophobicContact CG1-CG1 3.89Å; I390-L441 PolarHBondContact N-O 2.68Å; I390-I442 HydrophobicContact CB-CG1 4.19Å; I390-I442 HydrophobicContact CB-CG2 4.48Å; I390-I442 HydrophobicContact CD1-CG1 4.33Å; I390-I442 CarbonylContact O-C 3.32Å; I390-I442 WeakPolarHBondContact O-CA 3.45Å; I390-C443 PolarHBondContact O-N 3.18Å; I390-V460 CarbonylContact C-O 3.43Å; I390-V460 WeakPolarHBondContact CA-O 3.2Å; I390-V460 HydrophobicContact CG1-CB 4.25Å
391	F	92.7	Very high	88.4	Confident	4 Å²	4	35.1 Å²	35.1	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	131.6	175.4	-78.1	-82.3	0	0	0	112.2	C443 V459 V460 Y462 D463 R474 R477	F391-C443 WeakPolarHBondContact CA-O 3.4Å; F391-C443 WeakPolarHBondContact CD1-SG 3.49Å; F391-C443 WeakPolarHBondContact CE1-SG 3.35Å; F391-V459 HydrophobicContact CD2-CG1 3.76Å; F391-V459 HydrophobicContact CE2-CG1 3.9Å; F391-V460 PolarHBondContact N-O 3.29Å; F391-Y462 PolarHBondContact O-N 3.3Å; F391-Y462 VanDerWaalsContact O-N 3.08Å; F391-D463 PolarHBondContact O-N 2.98Å; F391-R474 HydrophobicContact CB-CG 4.47Å; F391-R474 HydrophobicContact CD1-CG 3.8Å; F391-R474 HydrophobicContact CD2-CB 3.79Å; F391-R474 HydrophobicContact CD2-CG 3.69Å; F391-R474 HydrophobicContact CE1-CG 3.84Å; F391-R474 HydrophobicContact CE2-CB 3.7Å; F391-R474 HydrophobicContact CE2-CG 3.74Å; F391-R474 HydrophobicContact CG-CB 4.34Å; F391-R474 VanDerWaalsContact CG-CD 3.49Å; F391-R474 HydrophobicContact CG-CG 3.72Å; F391-R474 HydrophobicContact CZ-CB 4.16Å; F391-R474 HydrophobicContact CZ-CG 3.82Å; F391-R477 HydrophobicContact CE2-CG 4.16Å; F391-R477 HydrophobicContact CZ-CG 4Å
392	M	89.8	Confident	88.7	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	156.4	178.1	-56.9	-164.9	76.6	0	0	111.3	I390 R397 A398 I401 I442 C443 T444 Y462 I593	I390-M392 HydrophobicContact CG2-CG 4.21Å; M392-R397 HydrophobicContact CE-CB 3.6Å; M392-R397 WeakPolarHBondContact CE-O 3.4Å; M392-A398 WeakPolarHBondContact SD-CA 3.27Å; M392-A398 HydrophobicContact SD-CB 4.08Å; M392-I401 HydrophobicContact CE-CB 4.18Å; M392-I401 HydrophobicContact CE-CG1 3.44Å; M392-I401 VanDerWaalsContact CE-CG1 3.44Å; M392-I401 HydrophobicContact SD-CB 3.85Å; M392-I401 HydrophobicContact SD-CG1 3.76Å; M392-I401 HydrophobicContact SD-CG2 4.36Å; M392-I442 HydrophobicContact CG-CG2 3.94Å; M392-I442 HydrophobicContact SD-CG2 3.74Å; M392-C443 PolarHBondContact N-O 3.23Å; M392-T444 WeakPolarHBondContact O-CA 3.3Å; M392-Y462 HydrophobicContact CE-CD1 3.66Å; M392-Y462 HydrophobicContact CE-CE1 4.09Å; M392-Y462 HydrophobicContact CE-CG 3.97Å; M392-I593 HydrophobicContact CE-CD1 3.64Å
393	Q	79.8	Confident	89.1	Confident	32 Å²	32	32.8 Å²	32.8	15%	0.15	17%	0.168	C	C	.	.	S	Bend	trans	-83.4	-26	-179.7	-76.2	170.1	-0.2	0	0	113.6	D463 V464 R551	Q393-D463 HydrophobicContact CB-CB 4.07Å; Q393-D463 HydrophobicContact CG-CB 3.49Å; Q393-D463 VanDerWaalsContact CG-CB 3.49Å; Q393-D463 PolarHBondContact N-OD2 3.23Å; Q393-V464 PolarHBondContact NE2-O 3.37Å; Q393-R551 VanDerWaalsContact CD-NH1 3.31Å
394	S	81.8	Confident	89.5	Confident	26 Å²	26	32.2 Å²	32.2	18%	0.182	16%	0.161	C	C	.	.			trans	-125.9	148.4	-178.2	-174.7	0	0	0	0	112	D396 A398	S394-D396 PolarHBondContact OG-N 3.34Å; S394-A398 PolarHBondContact O-N 3.43Å
395	R	84.6	Confident	89.6	Confident	88 Å²	88	31.3 Å²	31.3	33%	0.332	16%	0.156	S	C	.	.	H	α-helix	trans	-67.9	-37.7	173	-60.7	174.5	-167.8	169.5	7.1	111.8	R397 A398 N399 S419 D420 T444	R395-R397 VanDerWaalsContact C-N 3.35Å; R395-R397 PolarHBondContact O-N 3.41Å; R395-A398 WeakPolarHBondContact O-CB 3.45Å; R395-A398 PolarHBondContact O-N 2.93Å; R395-N399 PolarHBondContact O-N 3.36Å; R395-N399 PolarHBondContact O-ND2 2.82Å; R395-S419 PolarHBondContact NH1-OG 3.29Å; R395-S419 PolarHBondContact NH2-OG 3.25Å; R395-D420 IonicContact CZ-OD1 2.71Å; R395-D420 IonicContact NH1-OD1 2.65Å; R395-D420 PolarHBondContact NH1-OD1 3.2Å; R395-T444 HydrophobicContact CG-CG2 4.17Å
396	D	86.5	Confident	89.6	Confident	101 Å²	101	33.5 Å²	33.5	54%	0.54	16%	0.162	S	C	.	.	H	α-helix	trans	-61.7	-47.9	179.3	-55.9	-40.2	0	0	0	110.1	S394 A398 N399 E400	S394-D396 PolarHBondContact OG-N 3.34Å; D396-A398 VanDerWaalsContact C-N 3.31Å; D396-A398 PolarHBondContact O-N 3.13Å; D396-N399 PolarHBondContact O-N 2.64Å; D396-N399 VanDerWaalsContact O-N 3.16Å; D396-E400 WeakPolarHBondContact O-CG 3.4Å; D396-E400 PolarHBondContact O-N 2.8Å
397	R	88.2	Confident	89.4	Confident	7 Å²	7	32.4 Å²	32.4	3%	0.026	16%	0.161	C	C	.	.	H	α-helix	trans	-61.8	-37.8	174.8	-66.5	172.9	61.6	83.2	-11.8	112.2	E369 M392 R395 E400 I401 Y462 D463 G591 I593	E369-R397 IonicContact OE2-CZ 3.7Å; E369-R397 IonicContact OE2-NH1 3.88Å; E369-R397 IonicContact OE2-NH2 2.72Å; E369-R397 PolarHBondContact OE2-NH2 3.35Å; M392-R397 HydrophobicContact CE-CB 3.6Å; M392-R397 WeakPolarHBondContact CE-O 3.4Å; R395-R397 VanDerWaalsContact C-N 3.35Å; R395-R397 PolarHBondContact O-N 3.41Å; R397-E400 PolarHBondContact O-N 2.85Å; R397-I401 PolarHBondContact O-N 3.23Å; R397-Y462 VanDerWaalsContact NH2-CE1 3.33Å; R397-D463 IonicContact CZ-OD1 3.59Å; R397-D463 IonicContact NE-OD1 3.54Å; R397-D463 IonicContact NE-OD2 3.15Å; R397-D463 PolarHBondContact NE-OD2 2.77Å; R397-D463 IonicContact NH2-OD1 2.77Å; R397-D463 PolarHBondContact NH2-OD1 3.42Å; R397-D463 IonicContact NH2-OD2 2.93Å; R397-G591 PolarHBondContact NH1-O 2.96Å; R397-G591 VanDerWaalsContact NH1-O 3.1Å; R397-I593 HydrophobicContact CB-CD1 3.96Å; R397-I593 HydrophobicContact CG-CD1 4.33Å; R397-I593 HydrophobicContact CG-CG1 4.38Å
398	A	90.1	Very high	89.1	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.6	-43.9	174.3	0	0	0	0	0	112.5	M392 S394 R395 D396 E400 L402 V416 I442	M392-A398 WeakPolarHBondContact SD-CA 3.27Å; M392-A398 HydrophobicContact SD-CB 4.08Å; S394-A398 PolarHBondContact O-N 3.43Å; R395-A398 WeakPolarHBondContact O-CB 3.45Å; R395-A398 PolarHBondContact O-N 2.93Å; D396-A398 VanDerWaalsContact C-N 3.31Å; D396-A398 PolarHBondContact O-N 3.13Å; A398-E400 VanDerWaalsContact C-N 3.33Å; A398-L402 WeakPolarHBondContact O-CB 3.23Å; A398-L402 PolarHBondContact O-N 2.9Å; A398-V416 HydrophobicContact CB-CG1 3.78Å; A398-V416 HydrophobicContact CB-CG2 4.14Å; A398-V416 WeakPolarHBondContact O-CG2 3.3Å; A398-I442 HydrophobicContact CB-CG2 3.6Å
399	N	90.6	Very high	88.6	Confident	62 Å²	62	36.2 Å²	36.2	33%	0.332	18%	0.184	S	C	.	.	H	α-helix	trans	-68.3	-32.4	175.5	-68.6	-39.9	0	0	0	112.3	R395 D396 K403	R395-N399 PolarHBondContact O-N 3.36Å; R395-N399 PolarHBondContact O-ND2 2.82Å; D396-N399 PolarHBondContact O-N 2.64Å; D396-N399 VanDerWaalsContact O-N 3.16Å; N399-K403 WeakPolarHBondContact O-CG 3.3Å; N399-K403 PolarHBondContact O-N 3.16Å; N399-K403 VanDerWaalsContact O-N 3.17Å
400	E	90.3	Very high	88	Confident	17 Å²	17	40.2 Å²	40.2	8%	0.079	22%	0.217	C	C	.	.	H	α-helix	trans	-71.9	-44	176.6	-68.8	163	178.6	0	0	112.1	D396 R397 A398 L402 K403 E404 R592 I593	D396-E400 WeakPolarHBondContact O-CG 3.4Å; D396-E400 PolarHBondContact O-N 2.8Å; R397-E400 PolarHBondContact O-N 2.85Å; A398-E400 VanDerWaalsContact C-N 3.33Å; E400-L402 VanDerWaalsContact C-N 3.3Å; E400-L402 PolarHBondContact O-N 3.2Å; E400-K403 WeakPolarHBondContact O-CB 3.29Å; E400-K403 PolarHBondContact O-N 3.01Å; E400-E404 WeakPolarHBondContact O-CG 3.46Å; E400-E404 PolarHBondContact O-N 3.26Å; E400-R592 VanDerWaalsContact OE1-CB 3.23Å; E400-R592 WeakPolarHBondContact OE1-CB 3.31Å; E400-R592 WeakPolarHBondContact OE1-CD 3.34Å; E400-R592 VanDerWaalsContact OE1-CG 3.31Å; E400-R592 WeakPolarHBondContact OE1-CG 3.14Å; E400-R592 WeakPolarHBondContact OE2-CA 3.44Å; E400-I593 HydrophobicContact CB-CB 3.9Å; E400-I593 WeakPolarHBondContact OE2-CB 3.39Å; E400-I593 PolarHBondContact OE2-N 3.5Å
401	I	91.2	Very high	87.6	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.015	25%	0.25	C	C	.	.	H	α-helix	trans	-62.2	-39.1	171.5	-77.7	-59.3	0	0	0	111.3	L373 M392 R397 K403 E404 I405 I442 Y462 I593	L373-I401 HydrophobicContact CD1-CD1 3.88Å; M392-I401 HydrophobicContact CE-CB 4.18Å; M392-I401 HydrophobicContact CE-CG1 3.44Å; M392-I401 VanDerWaalsContact CE-CG1 3.44Å; M392-I401 HydrophobicContact SD-CB 3.85Å; M392-I401 HydrophobicContact SD-CG1 3.76Å; M392-I401 HydrophobicContact SD-CG2 4.36Å; R397-I401 PolarHBondContact O-N 3.23Å; I401-K403 VanDerWaalsContact C-N 3.26Å; I401-K403 PolarHBondContact O-N 3.31Å; I401-E404 PolarHBondContact O-N 3.47Å; I401-E404 VanDerWaalsContact O-N 3.12Å; I401-I405 HydrophobicContact CG2-CD1 3.66Å; I401-I405 HydrophobicContact CG2-CG1 4.05Å; I401-I405 WeakPolarHBondContact O-CG1 3.43Å; I401-I405 PolarHBondContact O-N 3.46Å; I401-I442 HydrophobicContact CB-CD1 4.48Å; I401-I442 HydrophobicContact CG2-CD1 3.89Å; I401-Y462 HydrophobicContact CD1-CD2 4.24Å; I401-Y462 HydrophobicContact CD1-CE2 3.64Å; I401-Y462 HydrophobicContact CG1-CD2 4.4Å; I401-Y462 HydrophobicContact CG1-CE2 4.19Å; I401-I593 HydrophobicContact CD1-CD1 3.79Å; I401-I593 HydrophobicContact CD1-CG2 4.3Å; I401-I593 HydrophobicContact CG1-CD1 3.46Å; I401-I593 VanDerWaalsContact CG1-CD1 3.46Å
402	L	92.7	Very high	87.5	Confident	26 Å²	26	46.4 Å²	46.4	14%	0.136	25%	0.25	C	S	.	.	H	α-helix	trans	-54.9	-46.5	174.4	178.9	63.3	0	0	0	111.1	A398 E400 E404 I405 L406 A414 V416 I442	A398-L402 WeakPolarHBondContact O-CB 3.23Å; A398-L402 PolarHBondContact O-N 2.9Å; E400-L402 VanDerWaalsContact C-N 3.3Å; E400-L402 PolarHBondContact O-N 3.2Å; L402-E404 PolarHBondContact O-N 3.38Å; L402-I405 PolarHBondContact O-N 3.44Å; L402-L406 HydrophobicContact CD1-CD1 3.97Å; L402-L406 HydrophobicContact CD1-CG 4.15Å; L402-L406 HydrophobicContact CG-CD1 3.95Å; L402-L406 HydrophobicContact CG-CG 4.49Å; L402-L406 VanDerWaalsContact O-CG 3.27Å; L402-L406 WeakPolarHBondContact O-CG 3.27Å; L402-L406 PolarHBondContact O-N 3.2Å; L402-A414 HydrophobicContact CD1-CB 3.66Å; L402-A414 WeakPolarHBondContact CD1-O 3.36Å; L402-V416 HydrophobicContact CB-CG2 3.76Å; L402-V416 HydrophobicContact CD2-CG2 3.79Å; L402-V416 HydrophobicContact CG-CG2 4.24Å; L402-I442 HydrophobicContact CB-CD1 3.78Å; L402-I442 HydrophobicContact CD1-CD1 4.23Å
403	K	90.8	Very high	87.6	Confident	123 Å²	123	50.2 Å²	50.2	54%	0.535	27%	0.27	S	S	.	.	H	α-helix	trans	-61.3	-44.2	176.3	-69.4	172.4	-176.6	-176.4	0	111.5	N399 E400 I401 L406 L407	N399-K403 WeakPolarHBondContact O-CG 3.3Å; N399-K403 PolarHBondContact O-N 3.16Å; N399-K403 VanDerWaalsContact O-N 3.17Å; E400-K403 WeakPolarHBondContact O-CB 3.29Å; E400-K403 PolarHBondContact O-N 3.01Å; I401-K403 VanDerWaalsContact C-N 3.26Å; I401-K403 PolarHBondContact O-N 3.31Å; K403-L406 PolarHBondContact O-N 2.82Å; K403-L407 VanDerWaalsContact O-CB 3.26Å; K403-L407 WeakPolarHBondContact O-CB 3.41Å; K403-L407 WeakPolarHBondContact O-CD1 3.09Å; K403-L407 WeakPolarHBondContact O-CG 3.15Å; K403-L407 PolarHBondContact O-N 2.99Å
404	E	89.2	Confident	88.3	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.019	27%	0.268	C	S	.	.	H	α-helix	trans	-64.7	-38.4	178.7	-65.2	-69.8	141.7	0	0	112.3	L373 R377 E400 I401 L402 L407 S408 L600 S601	L373-E404 HydrophobicContact CD1-CB 4.29Å; L373-E404 HydrophobicContact CD1-CG 4.07Å; R377-E404 IonicContact CZ-OE2 3.81Å; R377-E404 IonicContact NE-OE2 2.93Å; R377-E404 IonicContact NH2-OE2 2.75Å; R377-E404 PolarHBondContact NH2-OE2 3.22Å; E400-E404 WeakPolarHBondContact O-CG 3.46Å; E400-E404 PolarHBondContact O-N 3.26Å; I401-E404 PolarHBondContact O-N 3.47Å; I401-E404 VanDerWaalsContact O-N 3.12Å; L402-E404 PolarHBondContact O-N 3.38Å; E404-L407 PolarHBondContact O-N 2.8Å; E404-S408 WeakPolarHBondContact O-CB 2.99Å; E404-S408 PolarHBondContact O-N 3.45Å; E404-S408 PolarHBondContact O-OG 3.05Å; E404-L600 PolarHBondContact OE1-N 2.85Å; E404-L600 PolarHBondContact OE2-N 2.58Å; E404-S601 VanDerWaalsContact OE1-CB 3.32Å; E404-S601 WeakPolarHBondContact OE1-CB 3.38Å; E404-S601 PolarHBondContact OE1-N 2.91Å; E404-S601 PolarHBondContact OE1-OG 3.4Å
405	I	90.1	Very high	88.8	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-62.6	-53.6	175.5	-68.8	173.1	0	0	0	110.2	L380 I390 I401 L402 L407 S408 D409 I412 A414 V440 I442	L380-I405 HydrophobicContact CD1-CB 4.5Å; L380-I405 HydrophobicContact CD1-CG1 3.81Å; L380-I405 HydrophobicContact CD2-CB 4.44Å; L380-I405 HydrophobicContact CD2-CD1 4.38Å; L380-I405 HydrophobicContact CD2-CG1 3.9Å; L380-I405 HydrophobicContact CD2-CG2 3.98Å; L380-I405 HydrophobicContact CG-CG1 4.48Å; I390-I405 HydrophobicContact CD1-CD1 3.8Å; I401-I405 HydrophobicContact CG2-CD1 3.66Å; I401-I405 HydrophobicContact CG2-CG1 4.05Å; I401-I405 WeakPolarHBondContact O-CG1 3.43Å; I401-I405 PolarHBondContact O-N 3.46Å; L402-I405 PolarHBondContact O-N 3.44Å; I405-L407 PolarHBondContact O-N 3.46Å; I405-S408 PolarHBondContact O-N 3.47Å; I405-D409 PolarHBondContact O-N 3.46Å; I405-I412 HydrophobicContact CG2-CB 4.22Å; I405-I412 HydrophobicContact CG2-CG2 3.75Å; I405-A414 HydrophobicContact CG2-CB 3.83Å; I405-V440 HydrophobicContact CD1-CG1 4.18Å; I405-I442 HydrophobicContact CD1-CD1 4.07Å
406	L	89.7	Confident	89.2	Confident	87 Å²	87	46.1 Å²	46.1	46%	0.455	26%	0.255	S	S	.	.	H	α-helix	trans	-64.5	-25.6	-178.7	-64.5	174.1	0	0	0	113	L402 K403 A414	L402-L406 HydrophobicContact CD1-CD1 3.97Å; L402-L406 HydrophobicContact CD1-CG 4.15Å; L402-L406 HydrophobicContact CG-CD1 3.95Å; L402-L406 HydrophobicContact CG-CG 4.49Å; L402-L406 VanDerWaalsContact O-CG 3.27Å; L402-L406 WeakPolarHBondContact O-CG 3.27Å; L402-L406 PolarHBondContact O-N 3.2Å; K403-L406 PolarHBondContact O-N 2.82Å; L406-A414 HydrophobicContact CD2-CB 4.5Å
407	L	86.7	Confident	89.2	Confident	61 Å²	61	41.3 Å²	41.3	32%	0.319	23%	0.23	S	C	.	.	H	α-helix	trans	-82.1	-22.1	174.2	-74	171	0	0	0	113.2	K403 E404 I405 L600	K403-L407 VanDerWaalsContact O-CB 3.26Å; K403-L407 WeakPolarHBondContact O-CB 3.41Å; K403-L407 WeakPolarHBondContact O-CD1 3.09Å; K403-L407 WeakPolarHBondContact O-CG 3.15Å; K403-L407 PolarHBondContact O-N 2.99Å; E404-L407 PolarHBondContact O-N 2.8Å; I405-L407 PolarHBondContact O-N 3.46Å; L407-L600 HydrophobicContact CB-CB 4.36Å; L407-L600 HydrophobicContact CB-CD1 4.01Å; L407-L600 HydrophobicContact CD1-CB 3.91Å
408	S	85.4	Confident	89	Confident	53 Å²	53	41.2 Å²	41.2	37%	0.371	23%	0.23	S	C	.	.	H	α-helix	trans	-83.8	-43.5	-177.5	-60	0	0	0	0	111.4	E404 I405	E404-S408 WeakPolarHBondContact O-CB 2.99Å; E404-S408 PolarHBondContact O-N 3.45Å; E404-S408 PolarHBondContact O-OG 3.05Å; I405-S408 PolarHBondContact O-N 3.47Å
409	D	83	Confident	88.2	Confident	65 Å²	65	44 Å²	44	35%	0.348	25%	0.25	S	C	.	.			trans	-148.1	123.9	-179.5	-170.3	-18.1	0	0	0	109.7	I405 D411 I412	I405-D409 PolarHBondContact O-N 3.46Å; D409-D411 VanDerWaalsContact C-N 3.29Å; D409-D411 WeakPolarHBondContact OD1-CB 3.36Å; D409-D411 PolarHBondContact OD1-N 2.92Å; D409-I412 HydrophobicContact CB-CB 4.49Å; D409-I412 HydrophobicContact CB-CD1 3.76Å; D409-I412 HydrophobicContact CB-CG1 3.86Å
410	A	81.3	Confident	87.7	Confident	84 Å²	84	46.1 Å²	46.1	69%	0.694	26%	0.261	S	S	*	.	S	Bend	trans	-73.7	-21.9	-178.7	0	0	0	0	0	112.6	I412	A410-I412 VanDerWaalsContact C-N 3.31Å
411	D	86	Confident	87.3	Confident	128 Å²	128	47.5 Å²	47.5	68%	0.684	27%	0.267	S	S	*	.	S	Bend	trans	-80.9	-16.4	-178.5	-63.7	-27.6	0	0	0	111.8	D409 L413 H439	D409-D411 VanDerWaalsContact C-N 3.29Å; D409-D411 WeakPolarHBondContact OD1-CB 3.36Å; D409-D411 PolarHBondContact OD1-N 2.92Å; D411-L413 PolarHBondContact O-N 3.41Å; D411-L413 VanDerWaalsContact O-N 3.12Å; D411-H439 PolarHBondContact O-CE1 3.12Å; D411-H439 VanDerWaalsContact O-CE1 3.27Å; D411-H439 PolarHBondContact O-ND1 3.47Å
412	I	89.4	Confident	87.1	Confident	5 Å²	5	51 Å²	51	3%	0.026	29%	0.288	C	S	.	.			trans	-82.5	94.5	176.8	-55.8	178.3	0	0	0	110.3	L380 Y386 I405 D409 A410 A414 V440	L380-I412 HydrophobicContact CB-CD1 4.38Å; L380-I412 HydrophobicContact CD2-CD1 3.77Å; Y386-I412 HydrophobicContact CE1-CG2 4.45Å; Y386-I412 WeakPolarHBondContact OH-CD1 3.44Å; I405-I412 HydrophobicContact CG2-CB 4.22Å; I405-I412 HydrophobicContact CG2-CG2 3.75Å; D409-I412 HydrophobicContact CB-CB 4.49Å; D409-I412 HydrophobicContact CB-CD1 3.76Å; D409-I412 HydrophobicContact CB-CG1 3.86Å; A410-I412 VanDerWaalsContact C-N 3.31Å; I412-A414 PolarHBondContact O-N 2.98Å; I412-A414 VanDerWaalsContact O-N 3.16Å; I412-V440 HydrophobicContact CG2-CG2 3.7Å
413	L	92.8	Very high	86.4	Confident	81 Å²	81	53.4 Å²	53.4	42%	0.424	30%	0.299	S	S	.	.			trans	-68.9	110	172.4	-58	179.5	0	0	0	111.1	D411 Q437 L438 H439 V440	D411-L413 PolarHBondContact O-N 3.41Å; D411-L413 VanDerWaalsContact O-N 3.12Å; L413-Q437 WeakPolarHBondContact CD1-O 3.41Å; L413-L438 HydrophobicContact CB-CD2 4.24Å; L413-H439 PolarHBondContact N-ND1 3.38Å; L413-H439 PolarHBondContact O-N 2.81Å; L413-V440 PolarHBondContact O-N 3.36Å
414	A	93.6	Very high	86.2	Confident	11 Å²	11	51.1 Å²	51.1	9%	0.091	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	150.8	-177.3	0	0	0	0	0	112.7	L402 I405 L406 I412 V440	L402-A414 HydrophobicContact CD1-CB 3.66Å; L402-A414 WeakPolarHBondContact CD1-O 3.36Å; I405-A414 HydrophobicContact CG2-CB 3.83Å; L406-A414 HydrophobicContact CD2-CB 4.5Å; I412-A414 PolarHBondContact O-N 2.98Å; I412-A414 VanDerWaalsContact O-N 3.16Å; A414-V440 VanDerWaalsContact CA-O 3.27Å; A414-V440 WeakPolarHBondContact CA-O 3.31Å; A414-V440 HydrophobicContact CB-CB 3.95Å; A414-V440 HydrophobicContact CB-CG1 4.48Å
415	N	93.5	Very high	86.2	Confident	47 Å²	47	55.7 Å²	55.7	25%	0.251	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	163.3	171.6	-144.4	-35.7	0	0	0	112.3	K421 V429 L438 V440 I442	N415-K421 PolarHBondContact OD1-NZ 2.93Å; N415-V429 HydrophobicContact CB-CG1 4.19Å; N415-L438 HydrophobicContact CB-CD1 3.77Å; N415-L438 HydrophobicContact CB-CD2 4.16Å; N415-V440 PolarHBondContact N-O 2.95Å; N415-V440 VanDerWaalsContact N-O 3.09Å; N415-I442 PolarHBondContact O-N 2.96Å
416	V	92	Very high	86	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.006	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.7	178.1	174	0	0	0	0	110.2	A398 L402 K421 I442	A398-V416 HydrophobicContact CB-CG1 3.78Å; A398-V416 HydrophobicContact CB-CG2 4.14Å; A398-V416 WeakPolarHBondContact O-CG2 3.3Å; L402-V416 HydrophobicContact CB-CG2 3.76Å; L402-V416 HydrophobicContact CD2-CG2 3.79Å; L402-V416 HydrophobicContact CG-CG2 4.24Å; V416-K421 WeakPolarHBondContact O-CD 3.48Å; V416-K421 WeakPolarHBondContact O-CE 3.38Å; V416-K421 PolarHBondContact O-NZ 3.37Å; V416-I442 CarbonylContact C-O 3.59Å; V416-I442 WeakPolarHBondContact CA-O 3.21Å; V416-I442 HydrophobicContact CG2-CB 3.94Å; V416-I442 HydrophobicContact CG2-CD1 3.86Å; V416-I442 HydrophobicContact CG2-CG1 4.48Å; V416-I442 HydrophobicContact CG2-CG2 4.39Å
417	I	87.5	Confident	85.7	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	107	164.9	-163.5	167.5	0	0	0	109.7	R426 V430 L441 I442 C443 L447 I451	I417-R426 HydrophobicContact CD1-CB 4.18Å; I417-R426 HydrophobicContact CD1-CG 4.26Å; I417-R426 HydrophobicContact CG1-CB 4.42Å; I417-R426 HydrophobicContact CG1-CG 3.98Å; I417-V430 HydrophobicContact CD1-CG2 3.8Å; I417-L441 HydrophobicContact CB-CD1 4.29Å; I417-L441 HydrophobicContact CG2-CD1 4.45Å; I417-I442 PolarHBondContact N-O 3.48Å; I417-C443 HydrophobicContact CG2-CB 3.34Å; I417-L447 HydrophobicContact CG2-CB 4.28Å; I417-L447 WeakPolarHBondContact O-CD1 3.49Å; I417-I451 HydrophobicContact CD1-CD1 3.36Å
418	S	82.3	Confident	85.9	Confident	5 Å²	5	57 Å²	57	4%	0.035	34%	0.344	C	S	.	.			trans	-121.5	165.5	178.3	82.2	0	0	0	0	110.4	D420 K421	S418-D420 PolarHBondContact O-N 3Å; S418-D420 PolarHBondContact OG-N 3.05Å; S418-D420 PolarHBondContact OG-OD2 2.88Å; S418-D420 VanDerWaalsContact OG-OD2 3.09Å; S418-K421 PolarHBondContact O-N 3.46Å
419	S	75.1	Confident	86.1	Confident	58 Å²	58	54.9 Å²	54.9	41%	0.406	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-0.2	178.9	100.5	0	0	0	0	112.4	R395 K421 L447	R395-S419 PolarHBondContact NH1-OG 3.29Å; R395-S419 PolarHBondContact NH2-OG 3.25Å; S419-K421 VanDerWaalsContact C-N 3.28Å; S419-L447 VanDerWaalsContact N-CD1 3.28Å
420	D	79.4	Confident	86.3	Confident	107 Å²	107	52.4 Å²	52.4	57%	0.572	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-19	176.9	-41.2	-44.7	0	0	0	109.8	R395 S418	R395-D420 IonicContact CZ-OD1 2.71Å; R395-D420 IonicContact NH1-OD1 2.65Å; R395-D420 PolarHBondContact NH1-OD1 3.2Å; S418-D420 PolarHBondContact O-N 3Å; S418-D420 PolarHBondContact OG-N 3.05Å; S418-D420 PolarHBondContact OG-OD2 2.88Å; S418-D420 VanDerWaalsContact OG-OD2 3.09Å
421	K	82.5	Confident	86.7	Confident	45 Å²	45	56 Å²	56	20%	0.196	31%	0.311	C	S	.	.	S	Bend	trans	-75.7	141.8	171.6	-67	-171	173	-177.4	0	111.6	N415 V416 S418 S419 Q425 R426 V429	N415-K421 PolarHBondContact OD1-NZ 2.93Å; V416-K421 WeakPolarHBondContact O-CD 3.48Å; V416-K421 WeakPolarHBondContact O-CE 3.38Å; V416-K421 PolarHBondContact O-NZ 3.37Å; S418-K421 PolarHBondContact O-N 3.46Å; S419-K421 VanDerWaalsContact C-N 3.28Å; K421-Q425 HydrophobicContact CB-CB 4.01Å; K421-R426 HydrophobicContact CB-CG 3.82Å; K421-V429 HydrophobicContact CD-CG2 4.41Å
422	T	85.4	Confident	86.9	Confident	77 Å²	77	50.6 Å²	50.6	47%	0.472	28%	0.284	S	S	.	.			trans	-65.1	161.8	172.5	70.3	0	0	0	0	110.9	A424 Q425 R426	T422-A424 VanDerWaalsContact C-N 3.28Å; T422-A424 PolarHBondContact O-N 3.26Å; T422-Q425 PolarHBondContact O-N 2.9Å; T422-Q425 WeakPolarHBondContact OG1-CB 3.44Å; T422-Q425 VanDerWaalsContact OG1-CG 3.27Å; T422-Q425 WeakPolarHBondContact OG1-CG 3.49Å; T422-Q425 PolarHBondContact OG1-N 3.31Å; T422-Q425 VanDerWaalsContact OG1-N 3.17Å; T422-Q425 PolarHBondContact OG1-OE1 2.88Å; T422-R426 WeakPolarHBondContact O-CG 3.45Å; T422-R426 PolarHBondContact O-N 3.28Å
423	E	78.8	Confident	87	Confident	77 Å²	77	50.5 Å²	50.5	36%	0.36	28%	0.284	S	S	.	.	H	α-helix	trans	-57	-41.6	175.6	-176.2	163.3	-137.5	0	0	112.5	H161 H184 R426 A427	H161-E423 IonicContact CE1-OE1 2.91Å; H161-E423 PolarHBondContact CE1-OE1 3.33Å; H161-E423 IonicContact ND1-OE1 3.05Å; H161-E423 IonicContact NE2-OE1 3.97Å; H161-E423 PolarHBondContact NE2-OE1 3.35Å; H184-E423 IonicContact CE1-OE1 2.66Å; H184-E423 PolarHBondContact CE1-OE1 3.29Å; H184-E423 IonicContact CE1-OE2 2.79Å; H184-E423 IonicContact ND1-OE1 3.72Å; H184-E423 IonicContact ND1-OE2 2.82Å; H184-E423 PolarHBondContact ND1-OE2 3.01Å; E423-R426 PolarHBondContact O-N 3.47Å; E423-A427 WeakPolarHBondContact O-CB 3.43Å; E423-A427 PolarHBondContact O-N 3.28Å
424	A	85.8	Confident	86.6	Confident	75 Å²	75	52.7 Å²	52.7	62%	0.62	29%	0.287	S	S	*	.	H	α-helix	trans	-63.8	-43	175	0	0	0	0	0	112.3	T422 A427 S428	T422-A424 VanDerWaalsContact C-N 3.28Å; T422-A424 PolarHBondContact O-N 3.26Å; A424-A427 PolarHBondContact O-N 3.26Å; A424-S428 WeakPolarHBondContact O-CB 3.49Å; A424-S428 PolarHBondContact O-N 3.34Å
425	Q	90	Very high	86.4	Confident	100 Å²	100	56.9 Å²	56.9	47%	0.467	30%	0.304	S	S	.	.	H	α-helix	trans	-64	-42.4	175.6	-74.8	169.9	-20.9	0	0	111.9	K421 T422 S428 V429	K421-Q425 HydrophobicContact CB-CB 4.01Å; T422-Q425 PolarHBondContact O-N 2.9Å; T422-Q425 WeakPolarHBondContact OG1-CB 3.44Å; T422-Q425 VanDerWaalsContact OG1-CG 3.27Å; T422-Q425 WeakPolarHBondContact OG1-CG 3.49Å; T422-Q425 PolarHBondContact OG1-N 3.31Å; T422-Q425 VanDerWaalsContact OG1-N 3.17Å; T422-Q425 PolarHBondContact OG1-OE1 2.88Å; Q425-S428 PolarHBondContact O-N 3.43Å; Q425-V429 VanDerWaalsContact O-CG2 3.27Å; Q425-V429 WeakPolarHBondContact O-CG2 3.39Å; Q425-V429 PolarHBondContact O-N 2.87Å
426	R	86.2	Confident	86.2	Confident	38 Å²	38	56.8 Å²	56.8	14%	0.143	31%	0.314	C	S	.	.	H	α-helix	trans	-61.3	-45.5	175.4	-71.4	-174.5	-67.7	171.2	4.8	111.1	E158 I417 K421 T422 E423 S428 V429 V430	E158-R426 WeakPolarHBondContact OE1-CD 3.25Å; E158-R426 IonicContact OE1-CZ 3.45Å; E158-R426 IonicContact OE1-NE 3.69Å; E158-R426 PolarHBondContact OE1-NE 3.32Å; E158-R426 IonicContact OE1-NH1 2.8Å; E158-R426 PolarHBondContact OE1-NH1 3.29Å; E158-R426 IonicContact OE1-NH2 3.55Å; E158-R426 IonicContact OE2-NH1 3.55Å; I417-R426 HydrophobicContact CD1-CB 4.18Å; I417-R426 HydrophobicContact CD1-CG 4.26Å; I417-R426 HydrophobicContact CG1-CB 4.42Å; I417-R426 HydrophobicContact CG1-CG 3.98Å; K421-R426 HydrophobicContact CB-CG 3.82Å; T422-R426 WeakPolarHBondContact O-CG 3.45Å; T422-R426 PolarHBondContact O-N 3.28Å; E423-R426 PolarHBondContact O-N 3.47Å; R426-S428 PolarHBondContact O-N 3.38Å; R426-V429 PolarHBondContact O-N 3.46Å; R426-V430 VanDerWaalsContact O-CG2 3.3Å; R426-V430 WeakPolarHBondContact O-CG2 3.28Å; R426-V430 PolarHBondContact O-N 3.06Å
427	A	83.7	Confident	86.1	Confident	61 Å²	61	62.2 Å²	62.2	50%	0.504	34%	0.34	S	S	.	.	H	α-helix	trans	-61.6	-43	176.9	0	0	0	0	0	112.2	E423 A424 V430 R431	E423-A427 WeakPolarHBondContact O-CB 3.43Å; E423-A427 PolarHBondContact O-N 3.28Å; A424-A427 PolarHBondContact O-N 3.26Å; A427-V430 PolarHBondContact O-N 3.49Å; A427-R431 VanDerWaalsContact O-CB 3.28Å; A427-R431 WeakPolarHBondContact O-CB 3.49Å; A427-R431 PolarHBondContact O-N 3.45Å
428	S	90.3	Very high	86.3	Confident	77 Å²	77	63.1 Å²	63.1	54%	0.538	34%	0.344	S	S	.	.	H	α-helix	trans	-61.7	-44.6	175.8	173	0	0	0	0	112.3	A424 Q425 R426 R431 A432	A424-S428 WeakPolarHBondContact O-CB 3.49Å; A424-S428 PolarHBondContact O-N 3.34Å; Q425-S428 PolarHBondContact O-N 3.43Å; R426-S428 PolarHBondContact O-N 3.38Å; S428-R431 WeakPolarHBondContact O-CB 3.36Å; S428-R431 PolarHBondContact O-N 2.86Å; S428-A432 WeakPolarHBondContact O-CB 3.45Å; S428-A432 PolarHBondContact O-N 3.23Å
429	V	90.6	Very high	86.8	Confident	10 Å²	10	65.7 Å²	65.7	6%	0.061	36%	0.356	C	S	.	.	H	α-helix	trans	-63.8	-43.8	177.1	170.9	0	0	0	0	111.6	N415 K421 Q425 R426 R431 A432 F433 L438 L441	N415-V429 HydrophobicContact CB-CG1 4.19Å; K421-V429 HydrophobicContact CD-CG2 4.41Å; Q425-V429 VanDerWaalsContact O-CG2 3.27Å; Q425-V429 WeakPolarHBondContact O-CG2 3.39Å; Q425-V429 PolarHBondContact O-N 2.87Å; R426-V429 PolarHBondContact O-N 3.46Å; V429-R431 VanDerWaalsContact C-N 3.3Å; V429-R431 PolarHBondContact O-N 3.44Å; V429-A432 PolarHBondContact O-N 3.44Å; V429-F433 WeakPolarHBondContact O-CB 3.34Å; V429-F433 PolarHBondContact O-N 3.12Å; V429-L438 HydrophobicContact CG1-CD1 4.08Å; V429-L441 HydrophobicContact CG1-CD1 3.45Å; V429-L441 VanDerWaalsContact CG1-CD1 3.45Å
430	V	86.9	Confident	87.7	Confident	13 Å²	13	62.9 Å²	62.9	8%	0.079	34%	0.336	C	S	.	.	H	α-helix	trans	-64.5	-38.2	177	172.1	0	0	0	0	111.1	I417 R426 A427 R434 I451	I417-V430 HydrophobicContact CD1-CG2 3.8Å; R426-V430 VanDerWaalsContact O-CG2 3.3Å; R426-V430 WeakPolarHBondContact O-CG2 3.28Å; R426-V430 PolarHBondContact O-N 3.06Å; A427-V430 PolarHBondContact O-N 3.49Å; V430-R434 VanDerWaalsContact O-CG 3.31Å; V430-R434 WeakPolarHBondContact O-CG 3.33Å; V430-R434 PolarHBondContact O-N 3.4Å; V430-I451 HydrophobicContact CG1-CG2 3.77Å; V430-I451 HydrophobicContact CG2-CD1 3.94Å; V430-I451 HydrophobicContact CG2-CG2 3.88Å
431	R	88.2	Confident	88.4	Confident	159 Å²	159	57.8 Å²	57.8	60%	0.6	31%	0.309	S	S	*	.	H	α-helix	trans	-63.8	-50.7	175.4	-178.8	177.9	179.6	171.6	2.6	111.2	A427 S428 V429 F433 R434 E435	A427-R431 VanDerWaalsContact O-CB 3.28Å; A427-R431 WeakPolarHBondContact O-CB 3.49Å; A427-R431 PolarHBondContact O-N 3.45Å; S428-R431 WeakPolarHBondContact O-CB 3.36Å; S428-R431 PolarHBondContact O-N 2.86Å; V429-R431 VanDerWaalsContact C-N 3.3Å; V429-R431 PolarHBondContact O-N 3.44Å; R431-F433 VanDerWaalsContact C-N 3.27Å; R431-F433 PolarHBondContact O-N 3.16Å; R431-R434 PolarHBondContact O-N 3.07Å; R431-E435 HydrophobicContact CG-CG 4.28Å; R431-E435 WeakPolarHBondContact CG-OE1 3.39Å; R431-E435 IonicContact CZ-OE1 3.68Å; R431-E435 IonicContact NE-OE1 3.26Å; R431-E435 PolarHBondContact NE-OE1 2.93Å; R431-E435 IonicContact NE-OE2 3.9Å; R431-E435 IonicContact NH2-OE1 3.87Å; R431-E435 PolarHBondContact NH2-OE1 3.38Å; R431-E435 VanDerWaalsContact NH2-OE1 3.14Å; R431-E435 WeakPolarHBondContact O-CB 3.34Å; R431-E435 WeakPolarHBondContact O-CG 3.35Å; R431-E435 PolarHBondContact O-N 3.16Å
432	A	91.5	Very high	88.9	Confident	14 Å²	14	55.7 Å²	55.7	12%	0.116	30%	0.3	C	S	.	.	H	α-helix	trans	-56.9	-40.3	177	0	0	0	0	0	112.2	S428 V429 E435 G436 Q437 L438	S428-A432 WeakPolarHBondContact O-CB 3.45Å; S428-A432 PolarHBondContact O-N 3.23Å; V429-A432 PolarHBondContact O-N 3.44Å; A432-E435 PolarHBondContact O-N 2.82Å; A432-G436 PolarHBondContact O-N 3.19Å; A432-Q437 HydrophobicContact CB-CB 4.12Å; A432-Q437 WeakPolarHBondContact O-CB 3.39Å; A432-Q437 PolarHBondContact O-N 3.3Å; A432-L438 HydrophobicContact CB-CD1 3.82Å; A432-L438 HydrophobicContact CB-CG 3.92Å; A432-L438 PolarHBondContact O-N 2.97Å
433	F	90.1	Very high	89.1	Confident	4 Å²	4	52 Å²	52	2%	0.018	28%	0.277	C	S	.	.	H	α-helix	trans	-66.2	-36.9	174.6	-175	-105	0	0	0	113.4	P387 L389 V429 R431 L438 L441 F453 V456	P387-F433 HydrophobicContact CB-CE1 4.08Å; P387-F433 HydrophobicContact CB-CE2 3.73Å; P387-F433 HydrophobicContact CB-CZ 3.43Å; P387-F433 VanDerWaalsContact CB-CZ 3.43Å; L389-F433 HydrophobicContact CD2-CE1 3.77Å; L389-F433 HydrophobicContact CD2-CE2 4.37Å; L389-F433 HydrophobicContact CD2-CZ 3.61Å; L389-F433 HydrophobicContact CG-CE1 4.4Å; L389-F433 HydrophobicContact CG-CZ 4.14Å; V429-F433 WeakPolarHBondContact O-CB 3.34Å; V429-F433 PolarHBondContact O-N 3.12Å; R431-F433 VanDerWaalsContact C-N 3.27Å; R431-F433 PolarHBondContact O-N 3.16Å; F433-L438 HydrophobicContact CB-CB 4.28Å; F433-L438 HydrophobicContact CB-CD1 4.43Å; F433-L438 HydrophobicContact CD2-CB 4.15Å; F433-L438 WeakPolarHBondContact CD2-O 3.38Å; F433-L441 HydrophobicContact CD1-CD2 4.29Å; F433-L441 HydrophobicContact CD2-CB 3.63Å; F433-L441 HydrophobicContact CE2-CB 3.72Å; F433-L441 HydrophobicContact CG-CB 4.06Å; F433-L441 HydrophobicContact CG-CD2 4.24Å; F433-L441 HydrophobicContact CZ-CB 4.24Å; F433-F453 AromaticContact CD1-CD1 3.83Å; F433-F453 HydrophobicContact CD1-CD1 3.83Å; F433-F453 HydrophobicContact CD1-CE1 4.4Å; F433-F453 HydrophobicContact CE1-CB 4.38Å; F433-F453 AromaticContact CE1-CD1 3.81Å; F433-F453 HydrophobicContact CE1-CD1 3.81Å; F433-F453 HydrophobicContact CE1-CG 4.45Å; F433-V456 HydrophobicContact CE1-CG2 4.16Å; F433-V456 HydrophobicContact CZ-CG2 4.47Å
434	R	85.8	Confident	89.4	Confident	127 Å²	127	49 Å²	49	48%	0.479	26%	0.264	S	S	.	.	H	α-helix	trans	-73.3	-32.7	176.6	-74.2	171.6	175.4	175.4	-2.8	113.2	V430 R431 G436 D452	V430-R434 VanDerWaalsContact O-CG 3.31Å; V430-R434 WeakPolarHBondContact O-CG 3.33Å; V430-R434 PolarHBondContact O-N 3.4Å; R431-R434 PolarHBondContact O-N 3.07Å; R434-G436 PolarHBondContact O-N 3.44Å; R434-D452 PolarHBondContact NE-O 3.28Å; R434-D452 VanDerWaalsContact NE-O 3.13Å; R434-D452 PolarHBondContact NH2-O 3.39Å
435	E	89.3	Confident	88.7	Confident	98 Å²	98	46.6 Å²	46.6	46%	0.458	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	2.3	179.3	-69.1	174.3	169.6	0	0	112.5	R431 A432 Q437	R431-E435 HydrophobicContact CG-CG 4.28Å; R431-E435 WeakPolarHBondContact CG-OE1 3.39Å; R431-E435 IonicContact CZ-OE1 3.68Å; R431-E435 IonicContact NE-OE1 3.26Å; R431-E435 PolarHBondContact NE-OE1 2.93Å; R431-E435 IonicContact NE-OE2 3.9Å; R431-E435 IonicContact NH2-OE1 3.87Å; R431-E435 PolarHBondContact NH2-OE1 3.38Å; R431-E435 VanDerWaalsContact NH2-OE1 3.14Å; R431-E435 WeakPolarHBondContact O-CB 3.34Å; R431-E435 WeakPolarHBondContact O-CG 3.35Å; R431-E435 PolarHBondContact O-N 3.16Å; A432-E435 PolarHBondContact O-N 2.82Å; E435-Q437 VanDerWaalsContact C-N 3.26Å; E435-Q437 HydrophobicContact CB-CG 4.39Å; E435-Q437 PolarHBondContact O-N 3.35Å
436	G	88.3	Confident	87.6	Confident	45 Å²	45	47 Å²	47	46%	0.464	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	4.5	179.8	0	0	0	0	0	114.7	A432 R434 L438	A432-G436 PolarHBondContact O-N 3.19Å; R434-G436 PolarHBondContact O-N 3.44Å; G436-L438 PolarHBondContact O-N 2.91Å
437	Q	90.9	Very high	86.6	Confident	116 Å²	116	45.6 Å²	45.6	54%	0.542	24%	0.241	S	C	.	.	S	Bend	trans	-75.1	-12.8	175.8	-61.4	177.4	-10.6	0	0	113.1	L413 A432 E435	L413-Q437 WeakPolarHBondContact CD1-O 3.41Å; A432-Q437 HydrophobicContact CB-CB 4.12Å; A432-Q437 WeakPolarHBondContact O-CB 3.39Å; A432-Q437 PolarHBondContact O-N 3.3Å; E435-Q437 VanDerWaalsContact C-N 3.26Å; E435-Q437 HydrophobicContact CB-CG 4.39Å; E435-Q437 PolarHBondContact O-N 3.35Å
438	L	92.3	Very high	85.5	Confident	19 Å²	19	42.8 Å²	42.8	10%	0.099	22%	0.218	C	C	.	.			trans	-126.4	125.8	170.4	-63.4	172.9	0	0	0	108.7	L413 N415 V429 A432 F433 G436	L413-L438 HydrophobicContact CB-CD2 4.24Å; N415-L438 HydrophobicContact CB-CD1 3.77Å; N415-L438 HydrophobicContact CB-CD2 4.16Å; V429-L438 HydrophobicContact CG1-CD1 4.08Å; A432-L438 HydrophobicContact CB-CD1 3.82Å; A432-L438 HydrophobicContact CB-CG 3.92Å; A432-L438 PolarHBondContact O-N 2.97Å; F433-L438 HydrophobicContact CB-CB 4.28Å; F433-L438 HydrophobicContact CB-CD1 4.43Å; F433-L438 HydrophobicContact CD2-CB 4.15Å; F433-L438 WeakPolarHBondContact CD2-O 3.38Å; G436-L438 PolarHBondContact O-N 2.91Å
439	H	92.3	Very high	84.4	Confident	59 Å²	59	40.1 Å²	40.1	27%	0.273	20%	0.196	S	C	.	.	S	Bend	trans	-79.1	-37.8	176.6	-54.8	140.2	0	0	0	111.2	Y386 C388 D411 L413	Y386-H439 HydrophobicContact CD1-CB 3.6Å; Y386-H439 WeakPolarHBondContact CD1-O 3.44Å; Y386-H439 HydrophobicContact CD2-CB 4.47Å; Y386-H439 HydrophobicContact CE1-CB 3.89Å; Y386-H439 HydrophobicContact CG-CB 3.91Å; C388-H439 PolarHBondContact N-O 3.17Å; D411-H439 PolarHBondContact O-CE1 3.12Å; D411-H439 VanDerWaalsContact O-CE1 3.27Å; D411-H439 PolarHBondContact O-ND1 3.47Å; L413-H439 PolarHBondContact N-ND1 3.38Å; L413-H439 PolarHBondContact O-N 2.81Å
440	V	93.6	Very high	83	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132	-175	-177.3	0	0	0	0	111.5	L384 Y386 C388 I390 I405 I412 L413 A414 N415 I442	L384-V440 HydrophobicContact CD1-CG2 4.23Å; Y386-V440 HydrophobicContact CD1-CG2 4.06Å; Y386-V440 HydrophobicContact CE1-CG2 3.6Å; C388-V440 HydrophobicContact CB-CG2 4.31Å; C388-V440 WeakPolarHBondContact O-CA 3.13Å; I390-V440 HydrophobicContact CD1-CG1 3.44Å; I390-V440 VanDerWaalsContact CD1-CG1 3.44Å; I390-V440 HydrophobicContact CG1-CG1 3.89Å; I405-V440 HydrophobicContact CD1-CG1 4.18Å; I412-V440 HydrophobicContact CG2-CG2 3.7Å; L413-V440 PolarHBondContact O-N 3.36Å; A414-V440 VanDerWaalsContact CA-O 3.27Å; A414-V440 WeakPolarHBondContact CA-O 3.31Å; A414-V440 HydrophobicContact CB-CB 3.95Å; A414-V440 HydrophobicContact CB-CG1 4.48Å; N415-V440 PolarHBondContact N-O 2.95Å; N415-V440 VanDerWaalsContact N-O 3.09Å; V440-I442 HydrophobicContact CG1-CG1 4.43Å
441	L	93.1	Very high	82.3	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.6	171.4	-179.5	72.4	0	0	0	111.2	C388 L389 I390 I417 V429 F433 F453	C388-L441 PolarHBondContact O-N 3.21Å; L389-L441 WeakPolarHBondContact CA-O 3.29Å; L389-L441 HydrophobicContact CD2-CB 3.81Å; L389-L441 HydrophobicContact CD2-CD2 3.96Å; L389-L441 HydrophobicContact CD2-CG 4.25Å; I390-L441 PolarHBondContact N-O 2.68Å; I417-L441 HydrophobicContact CB-CD1 4.29Å; I417-L441 HydrophobicContact CG2-CD1 4.45Å; V429-L441 HydrophobicContact CG1-CD1 3.45Å; V429-L441 VanDerWaalsContact CG1-CD1 3.45Å; F433-L441 HydrophobicContact CD1-CD2 4.29Å; F433-L441 HydrophobicContact CD2-CB 3.63Å; F433-L441 HydrophobicContact CE2-CB 3.72Å; F433-L441 HydrophobicContact CG-CB 4.06Å; F433-L441 HydrophobicContact CG-CD2 4.24Å; F433-L441 HydrophobicContact CZ-CB 4.24Å; L441-F453 HydrophobicContact CD2-CD1 4.14Å; L441-F453 HydrophobicContact CD2-CE1 3.23Å; L441-F453 HydrophobicContact CD2-CZ 3.76Å
442	I	93.6	Very high	81.4	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	127.4	178.7	-52.2	160.8	0	0	0	108.9	I390 M392 A398 I401 L402 I405 N415 V416 I417 V440	I390-I442 HydrophobicContact CB-CG1 4.19Å; I390-I442 HydrophobicContact CB-CG2 4.48Å; I390-I442 HydrophobicContact CD1-CG1 4.33Å; I390-I442 CarbonylContact O-C 3.32Å; I390-I442 WeakPolarHBondContact O-CA 3.45Å; M392-I442 HydrophobicContact CG-CG2 3.94Å; M392-I442 HydrophobicContact SD-CG2 3.74Å; A398-I442 HydrophobicContact CB-CG2 3.6Å; I401-I442 HydrophobicContact CB-CD1 4.48Å; I401-I442 HydrophobicContact CG2-CD1 3.89Å; L402-I442 HydrophobicContact CB-CD1 3.78Å; L402-I442 HydrophobicContact CD1-CD1 4.23Å; I405-I442 HydrophobicContact CD1-CD1 4.07Å; N415-I442 PolarHBondContact O-N 2.96Å; V416-I442 CarbonylContact C-O 3.59Å; V416-I442 WeakPolarHBondContact CA-O 3.21Å; V416-I442 HydrophobicContact CG2-CB 3.94Å; V416-I442 HydrophobicContact CG2-CD1 3.86Å; V416-I442 HydrophobicContact CG2-CG1 4.48Å; V416-I442 HydrophobicContact CG2-CG2 4.39Å; I417-I442 PolarHBondContact N-O 3.48Å; V440-I442 HydrophobicContact CG1-CG1 4.43Å
443	C	89.6	Confident	80.5	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	156.5	-176.6	64.3	0	0	0	0	113	I390 F391 M392 I417	I390-C443 PolarHBondContact O-N 3.18Å; F391-C443 WeakPolarHBondContact CA-O 3.4Å; F391-C443 WeakPolarHBondContact CD1-SG 3.49Å; F391-C443 WeakPolarHBondContact CE1-SG 3.35Å; M392-C443 PolarHBondContact N-O 3.23Å; I417-C443 HydrophobicContact CG2-CB 3.34Å
444	T	84.7	Confident	79.6	Confident	13 Å²	13	40.3 Å²	40.3	8%	0.08	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	157.1	168.2	58.7	0	0	0	0	109.8	M392 R395 L446 L447 G448	M392-T444 WeakPolarHBondContact O-CA 3.3Å; R395-T444 HydrophobicContact CG-CG2 4.17Å; T444-L446 PolarHBondContact O-N 3.33Å; T444-L447 PolarHBondContact O-N 3.43Å; T444-G448 PolarHBondContact O-N 2.9Å
445	D	72.1	Confident	79.1	Confident	25 Å²	25	36.7 Å²	36.7	13%	0.134	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-37.5	-175.3	-74.9	-59.5	0	0	0	115	L447 R449 R474	D445-L447 VanDerWaalsContact C-N 3.33Å; D445-R449 WeakPolarHBondContact O-CG 3.08Å; D445-R474 IonicContact OD1-CZ 2.59Å; D445-R474 VanDerWaalsContact OD1-CZ 3.26Å; D445-R474 IonicContact OD1-NE 3.42Å; D445-R474 PolarHBondContact OD1-NE 2.83Å; D445-R474 IonicContact OD1-NH2 3.94Å; D445-R474 PolarHBondContact OD1-NH2 2.87Å; D445-R474 IonicContact OD2-CZ 2.95Å; D445-R474 IonicContact OD2-NE 3.35Å; D445-R474 IonicContact OD2-NH2 2.66Å; D445-R474 PolarHBondContact OD2-NH2 3.09Å
446	L	66.6	Low	79	Confident	108 Å²	108	32.4 Å²	32.4	57%	0.565	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-30	-175.9	-121	147.3	0	0	0	112.1	T156 T444	T156-L446 VanDerWaalsContact CG2-O 3.31Å; T156-L446 WeakPolarHBondContact CG2-O 3.3Å; T444-L446 PolarHBondContact O-N 3.33Å
447	L	65.2	Low	79.2	Confident	10 Å²	10	32.3 Å²	32.3	5%	0.052	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-26.6	-176.5	-67.8	164.4	0	0	0	112.7	I417 S419 T444 D445 R449 I451	I417-L447 HydrophobicContact CG2-CB 4.28Å; I417-L447 WeakPolarHBondContact O-CD1 3.49Å; S419-L447 VanDerWaalsContact N-CD1 3.28Å; T444-L447 PolarHBondContact O-N 3.43Å; D445-L447 VanDerWaalsContact C-N 3.33Å; L447-R449 PolarHBondContact O-N 3.01Å; L447-I451 WeakPolarHBondContact O-CD1 3.32Å; L447-I451 WeakPolarHBondContact O-CG1 3.46Å
448	G	60	Low	79.3	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.01	15%	0.149	C	C	.	.	S	Bend	trans	-66.8	-12.7	173.1	0	0	0	0	0	113.9	T444 R477	T444-G448 PolarHBondContact O-N 2.9Å; G448-R477 PolarHBondContact O-NH1 3.17Å
449	R	68.5	Low	79.4	Confident	22 Å²	22	25.9 Å²	25.9	8%	0.083	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	144.6	177.5	-68.9	-177.7	-162	140.7	13.2	112	T156 E256 K259 D445 L447 I451 E470	T156-R449 HydrophobicContact CG2-CB 4.28Å; T156-R449 PolarHBondContact OG1-O 2.79Å; E256-R449 WeakPolarHBondContact OE2-CD 3.32Å; K259-R449 VanDerWaalsContact CE-NH2 3.27Å; D445-R449 WeakPolarHBondContact O-CG 3.08Å; L447-R449 PolarHBondContact O-N 3.01Å; R449-I451 PolarHBondContact O-N 2.97Å; R449-E470 IonicContact CZ-OE1 3.06Å; R449-E470 VanDerWaalsContact NH2-CD 3.28Å; R449-E470 VanDerWaalsContact NH2-CG 3.32Å; R449-E470 IonicContact NH2-OE1 3.9Å; R449-E470 PolarHBondContact NH2-OE1 3.27Å
450	G	61.1	Low	79.5	Confident	3 Å²	3	23.1 Å²	23.1	3%	0.031	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	7	-172.7	0	0	0	0	0	114.7	E158 Q162	E158-G450 CarbonylContact C-O 3.59Å; E158-G450 WeakPolarHBondContact CB-O 3.49Å; Q162-G450 PolarHBondContact NE2-O 2.93Å; Q162-G450 PolarHBondContact OE1-O 2.92Å; Q162-G450 VanDerWaalsContact OE1-O 3.11Å
451	I	72	Confident	79.6	Confident	5 Å²	5	23.1 Å²	23.1	3%	0.026	13%	0.131	C	C	.	.			trans	-105.3	123.8	169	-53.5	180	0	0	0	107.7	E158 I417 V430 L447 R449 F453 R477	E158-I451 HydrophobicContact CB-CG1 4.02Å; E158-I451 HydrophobicContact CG-CD1 4.3Å; E158-I451 HydrophobicContact CG-CG1 3.98Å; I417-I451 HydrophobicContact CD1-CD1 3.36Å; V430-I451 HydrophobicContact CG1-CG2 3.77Å; V430-I451 HydrophobicContact CG2-CD1 3.94Å; V430-I451 HydrophobicContact CG2-CG2 3.88Å; L447-I451 WeakPolarHBondContact O-CD1 3.32Å; L447-I451 WeakPolarHBondContact O-CG1 3.46Å; R449-I451 PolarHBondContact O-N 2.97Å; I451-F453 HydrophobicContact CB-CD2 4.26Å; I451-F453 HydrophobicContact CB-CE1 4.06Å; I451-F453 HydrophobicContact CB-CE2 3.69Å; I451-F453 HydrophobicContact CB-CZ 3.58Å; I451-F453 HydrophobicContact CD1-CZ 3.96Å; I451-F453 HydrophobicContact CG1-CZ 4.36Å; I451-F453 HydrophobicContact CG2-CD1 3.71Å; I451-F453 HydrophobicContact CG2-CD2 4.16Å; I451-F453 HydrophobicContact CG2-CE1 3.28Å; I451-F453 HydrophobicContact CG2-CE2 3.81Å; I451-F453 HydrophobicContact CG2-CG 4.13Å; I451-F453 HydrophobicContact CG2-CZ 3.37Å; I451-F453 PolarHBondContact O-N 2.96Å; I451-R477 PolarHBondContact O-NH1 3.37Å
452	D	68.6	Low	79.7	Confident	43 Å²	43	23.1 Å²	23.1	23%	0.23	13%	0.132	C	C	.	.			trans	-91.1	90.6	178.1	-175.5	37	0	0	0	106.9	Q162 R434 K454 R480	Q162-D452 VanDerWaalsContact NE2-CB 3.33Å; R434-D452 PolarHBondContact NE-O 3.28Å; R434-D452 VanDerWaalsContact NE-O 3.13Å; R434-D452 PolarHBondContact NH2-O 3.39Å; D452-K454 PolarHBondContact O-N 3.39Å; D452-K454 WeakPolarHBondContact OD2-CE 3.45Å; D452-K454 WeakPolarHBondContact OD2-CG 3.36Å; D452-R480 IonicContact OD1-NH1 3.09Å; D452-R480 PolarHBondContact OD1-NH1 2.91Å
453	F	73.8	Confident	79.5	Confident	1 Å²	1	23.1 Å²	23.1	0%	0.004	13%	0.132	C	C	.	.			trans	-81.8	98.8	171.6	-54.5	-72.6	0	0	0	107	L389 F433 L441 I451 V456	L389-F453 HydrophobicContact CD1-CB 3.98Å; L389-F453 HydrophobicContact CD1-CD1 4.37Å; L389-F453 HydrophobicContact CD1-CD2 3.45Å; L389-F453 VanDerWaalsContact CD1-CD2 3.45Å; L389-F453 HydrophobicContact CD1-CE2 3.92Å; L389-F453 HydrophobicContact CD1-CG 3.69Å; L389-F453 HydrophobicContact CD2-CD1 4.03Å; L389-F453 HydrophobicContact CD2-CD2 4.38Å; L389-F453 HydrophobicContact CD2-CE1 4.07Å; L389-F453 HydrophobicContact CD2-CE2 4.38Å; L389-F453 HydrophobicContact CD2-CG 4.19Å; L389-F453 HydrophobicContact CD2-CZ 4.22Å; L389-F453 HydrophobicContact CG-CG 4.48Å; F433-F453 AromaticContact CD1-CD1 3.83Å; F433-F453 HydrophobicContact CD1-CD1 3.83Å; F433-F453 HydrophobicContact CD1-CE1 4.4Å; F433-F453 HydrophobicContact CE1-CB 4.38Å; F433-F453 AromaticContact CE1-CD1 3.81Å; F433-F453 HydrophobicContact CE1-CD1 3.81Å; F433-F453 HydrophobicContact CE1-CG 4.45Å; L441-F453 HydrophobicContact CD2-CD1 4.14Å; L441-F453 HydrophobicContact CD2-CE1 3.23Å; L441-F453 HydrophobicContact CD2-CZ 3.76Å; I451-F453 HydrophobicContact CB-CD2 4.26Å; I451-F453 HydrophobicContact CB-CE1 4.06Å; I451-F453 HydrophobicContact CB-CE2 3.69Å; I451-F453 HydrophobicContact CB-CZ 3.58Å; I451-F453 HydrophobicContact CD1-CZ 3.96Å; I451-F453 HydrophobicContact CG1-CZ 4.36Å; I451-F453 HydrophobicContact CG2-CD1 3.71Å; I451-F453 HydrophobicContact CG2-CD2 4.16Å; I451-F453 HydrophobicContact CG2-CE1 3.28Å; I451-F453 HydrophobicContact CG2-CE2 3.81Å; I451-F453 HydrophobicContact CG2-CG 4.13Å; I451-F453 HydrophobicContact CG2-CZ 3.37Å; I451-F453 PolarHBondContact O-N 2.96Å; F453-V456 HydrophobicContact CB-CG2 3.28Å; F453-V456 HydrophobicContact CG-CG2 4.31Å
454	K	69.3	Low	79.5	Confident	151 Å²	151	23.1 Å²	23.1	66%	0.657	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	140.7	174.2	-65.3	-172.8	177.1	-174.2	0	108.7	D452 V456	D452-K454 PolarHBondContact O-N 3.39Å; D452-K454 WeakPolarHBondContact OD2-CE 3.45Å; D452-K454 WeakPolarHBondContact OD2-CG 3.36Å; K454-V456 PolarHBondContact O-N 2.85Å
455	G	75.8	Confident	79.5	Confident	52 Å²	52	22.5 Å²	22.5	54%	0.536	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	27	172.6	0	0	0	0	0	115.4	P387 S457	P387-G455 WeakPolarHBondContact CD-O 3.39Å; G455-S457 PolarHBondContact O-N 3.42Å
456	V	88.4	Confident	79.7	Confident	7 Å²	7	22.5 Å²	22.5	4%	0.042	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-70.4	116.4	173.9	179.7	0	0	0	0	109.2	L389 F433 F453 K454 M458 V459 T478	L389-V456 HydrophobicContact CB-CG1 4.24Å; L389-V456 HydrophobicContact CD1-CB 4.44Å; L389-V456 HydrophobicContact CD1-CG1 3.98Å; L389-V456 HydrophobicContact CD1-CG2 3.72Å; L389-V456 HydrophobicContact CG-CG1 3.78Å; L389-V456 HydrophobicContact CG-CG2 3.92Å; F433-V456 HydrophobicContact CE1-CG2 4.16Å; F433-V456 HydrophobicContact CZ-CG2 4.47Å; F453-V456 HydrophobicContact CB-CG2 3.28Å; F453-V456 HydrophobicContact CG-CG2 4.31Å; K454-V456 PolarHBondContact O-N 2.85Å; V456-M458 WeakPolarHBondContact CG1-O 3.24Å; V456-V459 HydrophobicContact CG1-CG2 4.07Å; V456-T478 WeakPolarHBondContact O-CA 3.48Å; V456-T478 WeakPolarHBondContact O-CB 3.33Å; V456-T478 PolarHBondContact O-OG1 3.06Å
457	S	91	Very high	80.3	Confident	44 Å²	44	18.8 Å²	18.8	31%	0.308	11%	0.11	S	C	.	.			trans	-76.9	-39.5	178.9	-56	0	0	0	0	111.6	Y386 P387 G455 T478 R486	Y386-S457 WeakPolarHBondContact O-CB 2.96Å; Y386-S457 PolarHBondContact O-OG 3.14Å; P387-S457 PolarHBondContact O-N 3.23Å; G455-S457 PolarHBondContact O-N 3.42Å; S457-T478 PolarHBondContact O-OG1 2.83Å; S457-R486 PolarHBondContact O-N 3.06Å; S457-R486 VanDerWaalsContact O-N 3.09Å
458	M	93.7	Very high	81.2	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	140.7	-175.7	-173.7	172.9	-70	0	0	113.4	G383 L384 A385 P387 C388 L389 V456 V460 R486 I488	G383-M458 WeakPolarHBondContact O-CE 3.43Å; L384-M458 HydrophobicContact CD2-SD 3.72Å; A385-M458 HydrophobicContact CB-CB 4.22Å; A385-M458 HydrophobicContact CB-CE 4Å; A385-M458 WeakPolarHBondContact O-CB 3.32Å; P387-M458 PolarHBondContact O-N 3.41Å; C388-M458 WeakPolarHBondContact CA-O 3.4Å; C388-M458 HydrophobicContact CB-CB 4.5Å; L389-M458 PolarHBondContact N-O 3.14Å; V456-M458 WeakPolarHBondContact CG1-O 3.24Å; M458-V460 HydrophobicContact CG-CG2 4.04Å; M458-V460 HydrophobicContact SD-CG2 3.96Å; M458-R486 CarbonylContact C-O 3.57Å; M458-R486 VanDerWaalsContact CA-O 3.27Å; M458-R486 WeakPolarHBondContact CA-O 3.43Å; M458-R486 HydrophobicContact CE-CB 4.27Å; M458-R486 HydrophobicContact CE-CG 4.16Å; M458-I488 HydrophobicContact CE-CD1 4.25Å; M458-I488 HydrophobicContact SD-CD1 4.08Å
459	V	94	Very high	82.2	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.4	167.9	175.8	0	0	0	0	109.2	L389 F391 V456 R477 T478 R486 A487 I488	L389-V459 HydrophobicContact CB-CG2 4.39Å; L389-V459 CarbonylContact O-C 3.38Å; L389-V459 WeakPolarHBondContact O-CA 3.47Å; F391-V459 HydrophobicContact CD2-CG1 3.76Å; F391-V459 HydrophobicContact CE2-CG1 3.9Å; V456-V459 HydrophobicContact CG1-CG2 4.07Å; V459-R477 HydrophobicContact CG2-CB 4.03Å; V459-T478 HydrophobicContact CB-CG2 4.28Å; V459-T478 HydrophobicContact CG2-CG2 3.71Å; V459-R486 PolarHBondContact N-O 2.88Å; V459-A487 HydrophobicContact CB-CB 4.39Å; V459-A487 CarbonylContact O-C 3.52Å; V459-A487 VanDerWaalsContact O-CA 3.23Å; V459-A487 WeakPolarHBondContact O-CA 3.42Å; V459-I488 PolarHBondContact O-N 2.95Å
460	V	95.5	Very high	82.9	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	113.7	174.2	-175.7	0	0	0	0	109.5	M376 L379 L384 L389 I390 F391 M458 Y462 I488	M376-V460 HydrophobicContact CE-CG1 4.37Å; M376-V460 HydrophobicContact SD-CG1 3.69Å; L379-V460 HydrophobicContact CD1-CG1 4.24Å; L384-V460 HydrophobicContact CD2-CG2 3.94Å; L389-V460 PolarHBondContact O-N 2.86Å; I390-V460 CarbonylContact C-O 3.43Å; I390-V460 WeakPolarHBondContact CA-O 3.2Å; I390-V460 HydrophobicContact CG1-CB 4.25Å; F391-V460 PolarHBondContact N-O 3.29Å; M458-V460 HydrophobicContact CG-CG2 4.04Å; M458-V460 HydrophobicContact SD-CG2 3.96Å; V460-Y462 PolarHBondContact O-N 3Å; V460-I488 CarbonylContact C-O 3.58Å; V460-I488 WeakPolarHBondContact CA-O 3.47Å
461	N	95	Very high	84.2	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	90.3	169.1	-61.5	-49.6	0	0	0	108.5	D463 R474 I488 T489 L490	N461-D463 VanDerWaalsContact C-N 3.34Å; N461-R474 WeakPolarHBondContact OD1-CD 3.16Å; N461-R474 PolarHBondContact OD1-NH1 2.83Å; N461-I488 PolarHBondContact N-O 3.28Å; N461-T489 HydrophobicContact CB-CG2 3.87Å; N461-T489 PolarHBondContact ND2-OG1 2.87Å; N461-L490 PolarHBondContact O-N 3.49Å
462	Y	94.7	Very high	84.9	Confident	1 Å²	1	22.7 Å²	22.7	0%	0.004	13%	0.127	C	C	.	.	S	Bend	trans	-62.2	-46.4	175.2	-173.7	-80.3	0	0	0	110.7	K372 L373 M376 F391 M392 R397 I401 V460 L490 I593	K372-Y462 HydrophobicContact CB-CE1 4.15Å; K372-Y462 HydrophobicContact CB-CE2 4.15Å; K372-Y462 HydrophobicContact CD-CE1 4.27Å; K372-Y462 PolarHBondContact NZ-O 3.23Å; L373-Y462 PolarHBondContact N-OH 3.1Å; M376-Y462 HydrophobicContact CB-CE2 4.26Å; M376-Y462 HydrophobicContact CG-CD2 3.24Å; M376-Y462 HydrophobicContact CG-CE2 3.23Å; M376-Y462 HydrophobicContact SD-CD2 3.76Å; M376-Y462 HydrophobicContact SD-CE2 4.36Å; F391-Y462 PolarHBondContact O-N 3.3Å; F391-Y462 VanDerWaalsContact O-N 3.08Å; M392-Y462 HydrophobicContact CE-CD1 3.66Å; M392-Y462 HydrophobicContact CE-CE1 4.09Å; M392-Y462 HydrophobicContact CE-CG 3.97Å; R397-Y462 VanDerWaalsContact NH2-CE1 3.33Å; I401-Y462 HydrophobicContact CD1-CD2 4.24Å; I401-Y462 HydrophobicContact CD1-CE2 3.64Å; I401-Y462 HydrophobicContact CG1-CD2 4.4Å; I401-Y462 HydrophobicContact CG1-CE2 4.19Å; V460-Y462 PolarHBondContact O-N 3Å; Y462-L490 HydrophobicContact CD2-CD1 4.08Å; Y462-L490 HydrophobicContact CE2-CD1 4.43Å; Y462-I593 HydrophobicContact CE1-CD1 4.16Å
463	D	90.9	Very high	85.5	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-105.8	130.7	172.5	-66.4	-43.2	0	0	0	109.5	F391 Q393 R397 N461 R474 R590	F391-D463 PolarHBondContact O-N 2.98Å; Q393-D463 HydrophobicContact CB-CB 4.07Å; Q393-D463 HydrophobicContact CG-CB 3.49Å; Q393-D463 VanDerWaalsContact CG-CB 3.49Å; Q393-D463 PolarHBondContact N-OD2 3.23Å; R397-D463 IonicContact CZ-OD1 3.59Å; R397-D463 IonicContact NE-OD1 3.54Å; R397-D463 IonicContact NE-OD2 3.15Å; R397-D463 PolarHBondContact NE-OD2 2.77Å; R397-D463 IonicContact NH2-OD1 2.77Å; R397-D463 PolarHBondContact NH2-OD1 3.42Å; R397-D463 IonicContact NH2-OD2 2.93Å; N461-D463 VanDerWaalsContact C-N 3.34Å; D463-R474 PolarHBondContact O-NH1 2.94Å; D463-R590 WeakPolarHBondContact OD1-CD 3.46Å; D463-R590 IonicContact OD1-CZ 3.58Å; D463-R590 IonicContact OD1-NE 3.95Å; D463-R590 IonicContact OD1-NH1 2.78Å; D463-R590 PolarHBondContact OD1-NH1 3Å
464	V	88.5	Confident	86.2	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.117	C	C	.	.			trans	-59.6	130.8	179	-179.9	0	0	0	0	110	Q393 T489 L490 W491 D495 H498 M499 I502	Q393-V464 PolarHBondContact NE2-O 3.37Å; V464-T489 HydrophobicContact CG2-CG2 4Å; V464-L490 VanDerWaalsContact CG2-O 3.31Å; V464-L490 WeakPolarHBondContact CG2-O 3.28Å; V464-W491 HydrophobicContact CG2-CB 3.7Å; V464-D495 HydrophobicContact CB-CB 4.06Å; V464-D495 HydrophobicContact CG1-CB 4.44Å; V464-D495 HydrophobicContact CG2-CB 3.7Å; V464-D495 VanDerWaalsContact CG2-CG 3.49Å; V464-D495 WeakPolarHBondContact CG2-OD2 3.38Å; V464-H498 HydrophobicContact CG1-CB 4.16Å; V464-M499 HydrophobicContact CG1-SD 4.15Å; V464-M499 HydrophobicContact CG2-SD 4.49Å; V464-I502 HydrophobicContact CG1-CD1 3.33Å
465	P	85.6	Confident	87.1	Confident	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.086	C	C	.	.			trans	-65.4	136.6	175.7	23.3	-30.3	0	0	0	110.6	L467 E470 Y471 I502	P465-L467 PolarHBondContact O-N 2.7Å; P465-E470 HydrophobicContact CB-CB 3.89Å; P465-Y471 HydrophobicContact CG-CD2 3.75Å; P465-Y471 HydrophobicContact CG-CG 4.15Å; P465-I502 HydrophobicContact CG-CD1 4.12Å
466	P	76.2	Confident	87.5	Confident	24 Å²	24	11.4 Å²	11.4	16%	0.156	6%	0.061	C	C	.	.	S	Bend	trans	-70.4	-18.3	-176.4	28.8	-36.5	0	0	0	113.6	E470 H498 E554	P466-E470 WeakPolarHBondContact CD-OE2 3.42Å; P466-E470 WeakPolarHBondContact CG-OE2 3.4Å; P466-H498 WeakPolarHBondContact CA-ND1 3.35Å; P466-H498 PolarHBondContact O-ND1 3Å; P466-E554 HydrophobicContact CB-CG 4.48Å
467	L	78.4	Confident	87.3	Confident	31 Å²	31	11.6 Å²	11.6	16%	0.162	6%	0.061	C	C	.	.	S	Bend	trans	-131.2	142.4	-177.4	-60.2	172.2	0	0	0	111.1	P465 Q469 E470 Y471	P465-L467 PolarHBondContact O-N 2.7Å; L467-Q469 PolarHBondContact O-N 2.96Å; L467-E470 HydrophobicContact CB-CG 4.16Å; L467-E470 WeakPolarHBondContact O-CB 3.48Å; L467-E470 PolarHBondContact O-N 3.06Å; L467-Y471 PolarHBondContact O-N 2.69Å
468	K	84.4	Confident	87	Confident	65 Å²	65	9.5 Å²	9.5	28%	0.283	5%	0.046	S	C	.	.	H	α-helix	trans	-57.5	-33.5	176.9	67.2	-179	178.3	-177.7	0	113.8	E470 Y471 I472 G501 V505	K468-E470 VanDerWaalsContact C-N 3.3Å; K468-E470 PolarHBondContact O-N 3.06Å; K468-Y471 WeakPolarHBondContact O-CB 3.44Å; K468-Y471 PolarHBondContact O-N 2.89Å; K468-I472 VanDerWaalsContact O-CG1 3.3Å; K468-I472 WeakPolarHBondContact O-CG1 3.35Å; K468-I472 PolarHBondContact O-N 2.83Å; K468-G501 WeakPolarHBondContact CB-O 3.31Å; K468-V505 HydrophobicContact CB-CG2 3.97Å
469	Q	81.5	Confident	86.2	Confident	22 Å²	22	9.8 Å²	9.8	10%	0.103	5%	0.049	C	C	.	.	H	α-helix	trans	-63.9	-37.6	176.4	-71.4	78.2	11.6	0	0	111.8	T318 P320 L467 I472 H473	T318-Q469 HydrophobicContact CG2-CB 4.36Å; T318-Q469 HydrophobicContact CG2-CG 4.1Å; T318-Q469 WeakPolarHBondContact OG1-CG 3.4Å; P320-Q469 HydrophobicContact CG-CG 4.4Å; L467-Q469 PolarHBondContact O-N 2.96Å; Q469-I472 PolarHBondContact O-N 3.41Å; Q469-H473 PolarHBondContact O-CD2 3.3Å; Q469-H473 VanDerWaalsContact O-CD2 3.28Å; Q469-H473 PolarHBondContact O-N 2.78Å; Q469-H473 VanDerWaalsContact O-N 3.09Å
470	E	81.6	Confident	85.2	Confident	22 Å²	22	12 Å²	12	10%	0.103	6%	0.057	C	C	.	.	H	α-helix	trans	-70	-41.5	177.4	-57.3	-166.3	148.2	0	0	110.6	K259 R449 P465 P466 L467 K468 I472 H473 R474	K259-E470 VanDerWaalsContact NZ-CG 3.26Å; K259-E470 IonicContact NZ-OE1 2.69Å; K259-E470 PolarHBondContact NZ-OE1 2.81Å; R449-E470 IonicContact CZ-OE1 3.06Å; R449-E470 VanDerWaalsContact NH2-CD 3.28Å; R449-E470 VanDerWaalsContact NH2-CG 3.32Å; R449-E470 IonicContact NH2-OE1 3.9Å; R449-E470 PolarHBondContact NH2-OE1 3.27Å; P465-E470 HydrophobicContact CB-CB 3.89Å; P466-E470 WeakPolarHBondContact CD-OE2 3.42Å; P466-E470 WeakPolarHBondContact CG-OE2 3.4Å; L467-E470 HydrophobicContact CB-CG 4.16Å; L467-E470 WeakPolarHBondContact O-CB 3.48Å; L467-E470 PolarHBondContact O-N 3.06Å; K468-E470 VanDerWaalsContact C-N 3.3Å; K468-E470 PolarHBondContact O-N 3.06Å; E470-I472 PolarHBondContact O-N 2.75Å; E470-H473 PolarHBondContact O-N 2.92Å; E470-H473 VanDerWaalsContact O-N 3.16Å; E470-R474 VanDerWaalsContact O-CG 3.27Å; E470-R474 WeakPolarHBondContact O-CG 3.3Å; E470-R474 PolarHBondContact O-N 2.78Å
471	Y	88.7	Confident	83.8	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-53.4	-52.7	171.2	-175.3	-103.5	0	0	0	112.3	Q361 P465 L467 K468 H473 R474 V475 T489 I502 V505 M506	Q361-Y471 VanDerWaalsContact OE1-CE1 3.29Å; Q361-Y471 PolarHBondContact OE1-OH 3.14Å; P465-Y471 HydrophobicContact CG-CD2 3.75Å; P465-Y471 HydrophobicContact CG-CG 4.15Å; L467-Y471 PolarHBondContact O-N 2.69Å; K468-Y471 WeakPolarHBondContact O-CB 3.44Å; K468-Y471 PolarHBondContact O-N 2.89Å; Y471-H473 VanDerWaalsContact C-N 3.26Å; Y471-H473 PolarHBondContact O-N 2.83Å; Y471-R474 PolarHBondContact O-N 2.98Å; Y471-R474 VanDerWaalsContact O-N 3.13Å; Y471-V475 HydrophobicContact CD1-CG2 4.21Å; Y471-V475 HydrophobicContact CD2-CG2 4.15Å; Y471-V475 HydrophobicContact CE1-CG2 3.86Å; Y471-V475 HydrophobicContact CE2-CG2 3.81Å; Y471-V475 HydrophobicContact CG-CG2 4.34Å; Y471-V475 WeakPolarHBondContact O-CG2 3.27Å; Y471-V475 PolarHBondContact O-N 3Å; Y471-T489 WeakPolarHBondContact CE2-OG1 3.27Å; Y471-I502 HydrophobicContact CD1-CG1 4.42Å; Y471-I502 HydrophobicContact CD1-CG2 4.22Å; Y471-I502 HydrophobicContact CD2-CD1 4.01Å; Y471-I502 HydrophobicContact CD2-CG1 3.94Å; Y471-I502 HydrophobicContact CD2-CG2 4.02Å; Y471-I502 HydrophobicContact CE1-CG2 3.88Å; Y471-I502 HydrophobicContact CE2-CD1 4.46Å; Y471-I502 HydrophobicContact CE2-CG1 4.44Å; Y471-I502 HydrophobicContact CE2-CG2 3.66Å; Y471-I502 HydrophobicContact CG-CD1 4.45Å; Y471-I502 HydrophobicContact CG-CG1 3.93Å; Y471-I502 HydrophobicContact CG-CG2 4.29Å; Y471-V505 HydrophobicContact CD1-CB 4.1Å; Y471-V505 HydrophobicContact CD1-CG1 3.85Å; Y471-V505 HydrophobicContact CE1-CB 4.3Å; Y471-V505 HydrophobicContact CE1-CG1 3.96Å; Y471-M506 HydrophobicContact CE1-CG 4.29Å
472	I	86.9	Confident	82.7	Confident	14 Å²	14	19.6 Å²	19.6	7%	0.072	13%	0.126	C	C	.	.	H	α-helix	trans	-54.9	-43.8	177.1	-65.9	161	0	0	0	110.9	T318 N353 K468 Q469 E470 G476 V505	T318-I472 HydrophobicContact CG2-CB 4.32Å; T318-I472 HydrophobicContact CG2-CD1 3.85Å; T318-I472 HydrophobicContact CG2-CG2 4.08Å; N353-I472 HydrophobicContact CB-CD1 3.96Å; N353-I472 WeakPolarHBondContact O-CD1 3.33Å; K468-I472 VanDerWaalsContact O-CG1 3.3Å; K468-I472 WeakPolarHBondContact O-CG1 3.35Å; K468-I472 PolarHBondContact O-N 2.83Å; Q469-I472 PolarHBondContact O-N 3.41Å; E470-I472 PolarHBondContact O-N 2.75Å; I472-G476 PolarHBondContact O-N 3.28Å; I472-V505 HydrophobicContact CD1-CG1 4.46Å; I472-V505 HydrophobicContact CD1-CG2 3.92Å; I472-V505 HydrophobicContact CG1-CG1 3.73Å; I472-V505 HydrophobicContact CG1-CG2 3.89Å
473	H	82.4	Confident	82	Confident	7 Å²	7	25.6 Å²	25.6	3%	0.032	15%	0.154	C	C	.	.	H	α-helix	trans	-70.4	-32.5	-178.5	-66.1	177	0	0	0	113.8	D258 Q469 E470 Y471 R477	D258-H473 IonicContact OD2-CE1 2.91Å; D258-H473 PolarHBondContact OD2-CE1 2.88Å; D258-H473 IonicContact OD2-NE2 3.6Å; Q469-H473 PolarHBondContact O-CD2 3.3Å; Q469-H473 VanDerWaalsContact O-CD2 3.28Å; Q469-H473 PolarHBondContact O-N 2.78Å; Q469-H473 VanDerWaalsContact O-N 3.09Å; E470-H473 PolarHBondContact O-N 2.92Å; E470-H473 VanDerWaalsContact O-N 3.16Å; Y471-H473 VanDerWaalsContact C-N 3.26Å; Y471-H473 PolarHBondContact O-N 2.83Å; H473-R477 WeakPolarHBondContact O-CG 3.39Å; H473-R477 PolarHBondContact O-NE 3.19Å
474	R	88.2	Confident	81.8	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-72.3	-51.7	176.7	-69.3	-175.7	-172.2	-173.9	2.9	110.4	F391 D445 N461 D463 E470 Y471 G476 R477	F391-R474 HydrophobicContact CB-CG 4.47Å; F391-R474 HydrophobicContact CD1-CG 3.8Å; F391-R474 HydrophobicContact CD2-CB 3.79Å; F391-R474 HydrophobicContact CD2-CG 3.69Å; F391-R474 HydrophobicContact CE1-CG 3.84Å; F391-R474 HydrophobicContact CE2-CB 3.7Å; F391-R474 HydrophobicContact CE2-CG 3.74Å; F391-R474 HydrophobicContact CG-CB 4.34Å; F391-R474 VanDerWaalsContact CG-CD 3.49Å; F391-R474 HydrophobicContact CG-CG 3.72Å; F391-R474 HydrophobicContact CZ-CB 4.16Å; F391-R474 HydrophobicContact CZ-CG 3.82Å; D445-R474 IonicContact OD1-CZ 2.59Å; D445-R474 VanDerWaalsContact OD1-CZ 3.26Å; D445-R474 IonicContact OD1-NE 3.42Å; D445-R474 PolarHBondContact OD1-NE 2.83Å; D445-R474 IonicContact OD1-NH2 3.94Å; D445-R474 PolarHBondContact OD1-NH2 2.87Å; D445-R474 IonicContact OD2-CZ 2.95Å; D445-R474 IonicContact OD2-NE 3.35Å; D445-R474 IonicContact OD2-NH2 2.66Å; D445-R474 PolarHBondContact OD2-NH2 3.09Å; N461-R474 WeakPolarHBondContact OD1-CD 3.16Å; N461-R474 PolarHBondContact OD1-NH1 2.83Å; D463-R474 PolarHBondContact O-NH1 2.94Å; E470-R474 VanDerWaalsContact O-CG 3.27Å; E470-R474 WeakPolarHBondContact O-CG 3.3Å; E470-R474 PolarHBondContact O-N 2.78Å; Y471-R474 PolarHBondContact O-N 2.98Å; Y471-R474 VanDerWaalsContact O-N 3.13Å; R474-G476 VanDerWaalsContact C-N 3.29Å; R474-G476 PolarHBondContact O-N 3.49Å; R474-R477 VanDerWaalsContact O-CB 3.3Å; R474-R477 WeakPolarHBondContact O-CB 3.44Å; R474-R477 VanDerWaalsContact O-CG 3.29Å; R474-R477 WeakPolarHBondContact O-CG 3.42Å; R474-R477 PolarHBondContact O-N 2.96Å
475	V	88.3	Confident	81.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61	-40.2	177.6	178	0	0	0	0	110.7	A355 V359 Q361 Y471 R477 T478 A487	A355-V475 HydrophobicContact CB-CG1 4.08Å; V359-V475 HydrophobicContact CB-CG1 3.97Å; V359-V475 HydrophobicContact CG1-CG1 3.52Å; V359-V475 HydrophobicContact CG2-CG1 4.4Å; Q361-V475 HydrophobicContact CG-CG1 3.91Å; Y471-V475 HydrophobicContact CD1-CG2 4.21Å; Y471-V475 HydrophobicContact CD2-CG2 4.15Å; Y471-V475 HydrophobicContact CE1-CG2 3.86Å; Y471-V475 HydrophobicContact CE2-CG2 3.81Å; Y471-V475 HydrophobicContact CG-CG2 4.34Å; Y471-V475 WeakPolarHBondContact O-CG2 3.27Å; Y471-V475 PolarHBondContact O-N 3Å; V475-R477 PolarHBondContact O-N 3.37Å; V475-T478 VanDerWaalsContact O-CG2 3.24Å; V475-T478 WeakPolarHBondContact O-CG2 3.43Å; V475-T478 PolarHBondContact O-N 3.35Å; V475-T478 VanDerWaalsContact O-N 3.13Å; V475-A487 HydrophobicContact CB-CB 4.31Å; V475-A487 HydrophobicContact CG1-CB 3.86Å; V475-A487 HydrophobicContact CG2-CB 3.92Å
476	G	83.3	Confident	82.2	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.01	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	7.9	175	0	0	0	0	0	115.8	T105 I472 R474 R480	T105-G476 PolarHBondContact OG1-O 3.48Å; I472-G476 PolarHBondContact O-N 3.28Å; R474-G476 VanDerWaalsContact C-N 3.29Å; R474-G476 PolarHBondContact O-N 3.49Å; G476-R480 PolarHBondContact O-NE 3.37Å; G476-R480 PolarHBondContact O-NH2 2.86Å
477	R	83.9	Confident	83	Confident	10 Å²	10	36 Å²	36	4%	0.038	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-27.7	165.8	-59.4	-64.5	135.7	174.7	3.4	111.8	L389 F391 G448 I451 V459 H473 R474 V475	L389-R477 HydrophobicContact CD1-CB 3.69Å; L389-R477 HydrophobicContact CD1-CG 4.1Å; F391-R477 HydrophobicContact CE2-CG 4.16Å; F391-R477 HydrophobicContact CZ-CG 4Å; G448-R477 PolarHBondContact O-NH1 3.17Å; I451-R477 PolarHBondContact O-NH1 3.37Å; V459-R477 HydrophobicContact CG2-CB 4.03Å; H473-R477 WeakPolarHBondContact O-CG 3.39Å; H473-R477 PolarHBondContact O-NE 3.19Å; R474-R477 VanDerWaalsContact O-CB 3.3Å; R474-R477 WeakPolarHBondContact O-CB 3.44Å; R474-R477 VanDerWaalsContact O-CG 3.29Å; R474-R477 WeakPolarHBondContact O-CG 3.42Å; R474-R477 PolarHBondContact O-N 2.96Å; V475-R477 PolarHBondContact O-N 3.37Å
478	T	86.4	Confident	83.8	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.006	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-100.6	168.5	169.4	-174	0	0	0	0	110.3	V359 V456 S457 V459 V475 R480 G485	V359-T478 HydrophobicContact CB-CG2 4.5Å; V359-T478 HydrophobicContact CG1-CG2 3.65Å; V359-T478 HydrophobicContact CG2-CG2 3.97Å; V456-T478 WeakPolarHBondContact O-CA 3.48Å; V456-T478 WeakPolarHBondContact O-CB 3.33Å; V456-T478 PolarHBondContact O-OG1 3.06Å; S457-T478 PolarHBondContact O-OG1 2.83Å; V459-T478 HydrophobicContact CB-CG2 4.28Å; V459-T478 HydrophobicContact CG2-CG2 3.71Å; V475-T478 VanDerWaalsContact O-CG2 3.24Å; V475-T478 WeakPolarHBondContact O-CG2 3.43Å; V475-T478 PolarHBondContact O-N 3.35Å; V475-T478 VanDerWaalsContact O-N 3.13Å; T478-R480 PolarHBondContact O-N 3.42Å; T478-G485 WeakPolarHBondContact OG1-CA 3.46Å
479	G	76.8	Confident	84.4	Confident	5 Å²	5	31.4 Å²	31.4	5%	0.052	18%	0.177	C	C	.	.	S	Bend	trans	70.9	23	177.4	0	0	0	0	0	116	T358 H483	T358-G479 PolarHBondContact OG1-O 3.31Å; T358-G479 VanDerWaalsContact OG1-O 3.07Å; G479-H483 CarbonylContact C-O 3.59Å; G479-H483 WeakPolarHBondContact CA-O 3.29Å
480	R	73	Confident	85	Confident	47 Å²	47	30.3 Å²	30.3	18%	0.177	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-78.2	152.4	179.5	-65.3	-176.1	173.7	-155.6	-1.7	111.4	D452 G476 T478 G482 H483	D452-R480 IonicContact OD1-NH1 3.09Å; D452-R480 PolarHBondContact OD1-NH1 2.91Å; G476-R480 PolarHBondContact O-NE 3.37Å; G476-R480 PolarHBondContact O-NH2 2.86Å; T478-R480 PolarHBondContact O-N 3.42Å; R480-G482 PolarHBondContact O-N 3.28Å; R480-H483 PolarHBondContact O-CD2 3.38Å; R480-H483 PolarHBondContact O-N 3.17Å
481	A	66.2	Low	85.5	Confident	101 Å²	101	30 Å²	30	84%	0.835	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	55.3	32.6	173.8	0	0	0	0	0	115	H483	A481-H483 VanDerWaalsContact C-N 3.31Å; A481-H483 PolarHBondContact O-N 3.27Å
482	G	69.9	Low	85.4	Confident	58 Å²	58	30 Å²	30	60%	0.598	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	86	-7.3	178.1	0	0	0	0	0	114.9	R480	R480-G482 PolarHBondContact O-N 3.28Å
483	H	80.1	Confident	85	Confident	128 Å²	128	33.5 Å²	33.5	59%	0.593	19%	0.189	S	C	*	.			trans	-64.8	149.1	171.4	-64.9	-67.5	0	0	0	110.9	T358 G479 R480 A481	T358-H483 PolarHBondContact OG1-O 2.91Å; G479-H483 CarbonylContact C-O 3.59Å; G479-H483 WeakPolarHBondContact CA-O 3.29Å; R480-H483 PolarHBondContact O-CD2 3.38Å; R480-H483 PolarHBondContact O-N 3.17Å; A481-H483 VanDerWaalsContact C-N 3.31Å; A481-H483 PolarHBondContact O-N 3.27Å
484	H	86.7	Confident	84.7	Confident	161 Å²	161	36.6 Å²	36.6	75%	0.745	21%	0.212	S	C	*	.			trans	-77.2	143.9	169.3	-67.6	-71.2	0	0	0	110.1
485	G	89.4	Confident	84.5	Confident	8 Å²	8	36.8 Å²	36.8	8%	0.082	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	157.1	178.1	0	0	0	0	0	111.6	T358 V359 K360 T478	T358-G485 PolarHBondContact O-N 3.4Å; V359-G485 CarbonylContact C-O 3.54Å; V359-G485 WeakPolarHBondContact CA-O 3.07Å; K360-G485 PolarHBondContact N-O 3.13Å; T478-G485 WeakPolarHBondContact OG1-CA 3.46Å
486	R	93.2	Very high	84.2	Confident	72 Å²	72	37.9 Å²	37.9	27%	0.272	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131.7	171	-170.9	169.9	177.2	-153.6	8.2	110.5	K360 E362 S457 M458 V459 I488	K360-R486 CarbonylContact O-C 3.57Å; K360-R486 WeakPolarHBondContact O-CA 3.47Å; E362-R486 VanDerWaalsContact CD-NH2 3.28Å; E362-R486 IonicContact OE1-CZ 3.7Å; E362-R486 VanDerWaalsContact OE1-CZ 3.31Å; E362-R486 IonicContact OE1-NE 3.62Å; E362-R486 PolarHBondContact OE1-NE 3.37Å; E362-R486 IonicContact OE1-NH2 3.79Å; E362-R486 PolarHBondContact OE1-NH2 3.36Å; E362-R486 IonicContact OE2-CZ 3.44Å; E362-R486 IonicContact OE2-NE 2.66Å; E362-R486 PolarHBondContact OE2-NE 2.85Å; E362-R486 IonicContact OE2-NH2 2.86Å; E362-R486 PolarHBondContact OE2-NH2 3.43Å; S457-R486 PolarHBondContact O-N 3.06Å; S457-R486 VanDerWaalsContact O-N 3.09Å; M458-R486 CarbonylContact C-O 3.57Å; M458-R486 VanDerWaalsContact CA-O 3.27Å; M458-R486 WeakPolarHBondContact CA-O 3.43Å; M458-R486 HydrophobicContact CE-CB 4.27Å; M458-R486 HydrophobicContact CE-CG 4.16Å; V459-R486 PolarHBondContact N-O 2.88Å; R486-I488 HydrophobicContact CG-CG1 4.37Å
487	A	94.5	Very high	83.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	116.4	177.1	0	0	0	0	0	110.9	V359 K360 Q361 E362 V459 V475	V359-A487 HydrophobicContact CG1-CB 3.75Å; K360-A487 PolarHBondContact O-N 2.83Å; Q361-A487 CarbonylContact C-O 3.49Å; Q361-A487 WeakPolarHBondContact CA-O 3.31Å; Q361-A487 HydrophobicContact CG-CB 4.37Å; E362-A487 PolarHBondContact N-O 3.36Å; V459-A487 HydrophobicContact CB-CB 4.39Å; V459-A487 CarbonylContact O-C 3.52Å; V459-A487 VanDerWaalsContact O-CA 3.23Å; V459-A487 WeakPolarHBondContact O-CA 3.42Å; V475-A487 HydrophobicContact CB-CB 4.31Å; V475-A487 HydrophobicContact CG1-CB 3.86Å; V475-A487 HydrophobicContact CG2-CB 3.92Å
488	I	95.5	Very high	83.7	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.2	179.6	-58.7	176.4	0	0	0	108.7	E362 R364 L379 M458 V459 V460 N461 R486 L490	E362-I488 HydrophobicContact CB-CG1 4.32Å; E362-I488 CarbonylContact O-C 3.56Å; E362-I488 WeakPolarHBondContact O-CA 3.49Å; R364-I488 HydrophobicContact CG-CG2 3.91Å; L379-I488 HydrophobicContact CD1-CD1 4.48Å; L379-I488 HydrophobicContact CD1-CG2 4.43Å; L379-I488 HydrophobicContact CD2-CD1 3.62Å; M458-I488 HydrophobicContact CE-CD1 4.25Å; M458-I488 HydrophobicContact SD-CD1 4.08Å; V459-I488 PolarHBondContact O-N 2.95Å; V460-I488 CarbonylContact C-O 3.58Å; V460-I488 WeakPolarHBondContact CA-O 3.47Å; N461-I488 PolarHBondContact N-O 3.28Å; R486-I488 HydrophobicContact CG-CG1 4.37Å; I488-L490 HydrophobicContact CG2-CD2 4.01Å
489	T	95.7	Very high	83.8	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	118	176.6	-55.5	0	0	0	0	110.8	E362 L363 R364 N461 V464 Y471	E362-T489 PolarHBondContact O-N 2.71Å; L363-T489 HydrophobicContact CD2-CG2 4.22Å; R364-T489 PolarHBondContact N-O 3.39Å; N461-T489 HydrophobicContact CB-CG2 3.87Å; N461-T489 PolarHBondContact ND2-OG1 2.87Å; V464-T489 HydrophobicContact CG2-CG2 4Å; Y471-T489 WeakPolarHBondContact CE2-OG1 3.27Å
490	L	94.9	Very high	84.2	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	122.8	178.1	-52.6	-170.5	0	0	0	109.3	R364 K372 E375 M376 L379 N461 Y462 V464 I488	R364-L490 HydrophobicContact CB-CD2 3.87Å; K372-L490 HydrophobicContact CB-CD1 4.32Å; K372-L490 HydrophobicContact CD-CB 4.24Å; K372-L490 HydrophobicContact CG-CB 4.28Å; K372-L490 PolarHBondContact NZ-O 3.24Å; E375-L490 HydrophobicContact CB-CD1 4.4Å; E375-L490 HydrophobicContact CB-CD2 4.4Å; E375-L490 HydrophobicContact CG-CD1 4.39Å; E375-L490 HydrophobicContact CG-CD2 3.59Å; M376-L490 HydrophobicContact CG-CD1 3.86Å; M376-L490 HydrophobicContact SD-CD1 3.76Å; L379-L490 HydrophobicContact CD1-CD2 4.45Å; N461-L490 PolarHBondContact O-N 3.49Å; Y462-L490 HydrophobicContact CD2-CD1 4.08Å; Y462-L490 HydrophobicContact CE2-CD1 4.43Å; V464-L490 VanDerWaalsContact CG2-O 3.31Å; V464-L490 WeakPolarHBondContact CG2-O 3.28Å; I488-L490 HydrophobicContact CG2-CD2 4.01Å
491	W	92.3	Very high	84.8	Confident	14 Å²	14	39.2 Å²	39.2	5%	0.053	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	152.2	-176.5	76.2	-82.6	0	0	0	112.2	R364 Y365 C366 V464 D495 L496 M499 L517	R364-W491 VanDerWaalsContact C-CD1 3.49Å; R364-W491 PolarHBondContact O-N 3.35Å; Y365-W491 AromaticContact CD2-CD2 3.94Å; Y365-W491 HydrophobicContact CD2-CD2 3.94Å; Y365-W491 AromaticContact CD2-CE2 3.65Å; Y365-W491 AromaticContact CD2-CE3 3.94Å; Y365-W491 HydrophobicContact CD2-CE3 3.94Å; Y365-W491 AromaticContact CD2-CH2 3.35Å; Y365-W491 HydrophobicContact CD2-CH2 3.35Å; Y365-W491 AromaticContact CD2-CZ2 3.37Å; Y365-W491 HydrophobicContact CD2-CZ2 3.37Å; Y365-W491 AromaticContact CD2-CZ3 3.66Å; Y365-W491 HydrophobicContact CD2-CZ3 3.66Å; Y365-W491 HydrophobicContact CE2-CE3 4.34Å; Y365-W491 AromaticContact CE2-CH2 3.72Å; Y365-W491 HydrophobicContact CE2-CH2 3.72Å; Y365-W491 HydrophobicContact CE2-CZ2 4.21Å; Y365-W491 AromaticContact CE2-CZ3 3.81Å; Y365-W491 HydrophobicContact CE2-CZ3 3.81Å; Y365-W491 HydrophobicContact CG-CH2 4.16Å; Y365-W491 AromaticContact CG-CZ2 3.84Å; Y365-W491 HydrophobicContact CG-CZ2 3.84Å; C366-W491 PolarHBondContact N-O 3.03Å; V464-W491 HydrophobicContact CG2-CB 3.7Å; W491-D495 HydrophobicContact CB-CB 4.26Å; W491-L496 HydrophobicContact CH2-CD2 4.41Å; W491-L496 HydrophobicContact CZ3-CD2 3.76Å; W491-L496 HydrophobicContact CZ3-CG 4.28Å; W491-M499 HydrophobicContact CB-CE 4.32Å; W491-M499 HydrophobicContact CB-SD 4.07Å; W491-M499 HydrophobicContact CD2-CE 4.17Å; W491-M499 HydrophobicContact CE3-CG 4.49Å; W491-M499 HydrophobicContact CG-CE 3.97Å; W491-M499 HydrophobicContact CG-SD 4.29Å; W491-L517 HydrophobicContact CE3-CD1 4.47Å; W491-L517 HydrophobicContact CH2-CD1 3.37Å; W491-L517 HydrophobicContact CZ2-CD1 3.47Å; W491-L517 VanDerWaalsContact CZ2-CD1 3.47Å; W491-L517 HydrophobicContact CZ2-CD2 4.05Å; W491-L517 HydrophobicContact CZ2-CG 4.3Å; W491-L517 HydrophobicContact CZ3-CD1 3.9Å
492	T	86.6	Confident	86	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.012	19%	0.193	C	C	.	.			trans	-129.8	171.9	177.8	49.4	0	0	0	0	109.4	C366 T368 K372 S494 D495	C366-T492 HydrophobicContact CB-CG2 4.1Å; T368-T492 WeakPolarHBondContact O-CG2 3.42Å; K372-T492 HydrophobicContact CD-CG2 4.28Å; K372-T492 HydrophobicContact CG-CG2 4.07Å; T492-S494 PolarHBondContact O-N 3.38Å; T492-S494 PolarHBondContact OG1-OG 2.9Å; T492-D495 PolarHBondContact N-OD2 3.43Å; T492-D495 VanDerWaalsContact N-OD2 3.14Å; T492-D495 WeakPolarHBondContact O-CA 3.26Å; T492-D495 WeakPolarHBondContact O-CB 3.47Å; T492-D495 PolarHBondContact O-N 3.25Å; T492-D495 PolarHBondContact OG1-OD2 3.45Å
493	D	78.3	Confident	87	Confident	87 Å²	87	32 Å²	32	47%	0.465	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-56.8	-30	179.2	-58.7	-20.8	0	0	0	112.9	Y365 D495 L496	Y365-D493 WeakPolarHBondContact CE2-OD1 3.29Å; Y365-D493 VanDerWaalsContact CZ-OD1 3.32Å; Y365-D493 PolarHBondContact OH-OD1 3.21Å; Y365-D493 PolarHBondContact OH-OD2 3.43Å; D493-D495 PolarHBondContact O-N 2.92Å; D493-L496 HydrophobicContact CB-CD1 4.5Å; D493-L496 WeakPolarHBondContact O-CB 3.3Å; D493-L496 WeakPolarHBondContact O-CD1 3.47Å; D493-L496 VanDerWaalsContact O-CG 3.29Å; D493-L496 WeakPolarHBondContact O-CG 3.36Å; D493-L496 PolarHBondContact O-N 3.48Å
494	S	76.5	Confident	87.4	Confident	72 Å²	72	27.6 Å²	27.6	50%	0.503	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-66.2	-17.2	174.8	55.6	0	0	0	0	114.2	T492 P497	T492-S494 PolarHBondContact O-N 3.38Å; T492-S494 PolarHBondContact OG1-OG 2.9Å; S494-P497 VanDerWaalsContact O-CD 3.3Å; S494-P497 WeakPolarHBondContact O-CD 2.84Å
495	D	84	Confident	87.4	Confident	6 Å²	6	20 Å²	20	3%	0.032	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-93.7	-11.4	179.5	-64.4	-43.7	0	0	0	113.5	K372 V464 W491 T492 D493 P497 H498 M499 R590	K372-D495 IonicContact NZ-OD2 3.78Å; K372-D495 PolarHBondContact NZ-OD2 2.88Å; V464-D495 HydrophobicContact CB-CB 4.06Å; V464-D495 HydrophobicContact CG1-CB 4.44Å; V464-D495 HydrophobicContact CG2-CB 3.7Å; V464-D495 VanDerWaalsContact CG2-CG 3.49Å; V464-D495 WeakPolarHBondContact CG2-OD2 3.38Å; W491-D495 HydrophobicContact CB-CB 4.26Å; T492-D495 PolarHBondContact N-OD2 3.43Å; T492-D495 VanDerWaalsContact N-OD2 3.14Å; T492-D495 WeakPolarHBondContact O-CA 3.26Å; T492-D495 WeakPolarHBondContact O-CB 3.47Å; T492-D495 PolarHBondContact O-N 3.25Å; T492-D495 PolarHBondContact OG1-OD2 3.45Å; D493-D495 PolarHBondContact O-N 2.92Å; D495-P497 WeakPolarHBondContact O-CD 3.3Å; D495-H498 PolarHBondContact O-N 2.88Å; D495-M499 WeakPolarHBondContact O-CG 3.47Å; D495-M499 PolarHBondContact O-N 3.44Å; D495-R590 IonicContact OD1-CZ 2.65Å; D495-R590 IonicContact OD1-NH2 3.05Å; D495-R590 PolarHBondContact OD1-NH2 3.31Å; D495-R590 IonicContact OD2-CZ 3.82Å; D495-R590 IonicContact OD2-NH2 3.62Å; D495-R590 PolarHBondContact OD2-NH2 2.8Å
496	L	82.2	Confident	87.5	Confident	22 Å²	22	19.8 Å²	19.8	12%	0.115	11%	0.112	C	C	.	.	H	α-helix	trans	-42	-39.9	173	-72.2	174	0	0	0	114.7	W491 D493 H498 M499 L517 L520 V521 W524	W491-L496 HydrophobicContact CH2-CD2 4.41Å; W491-L496 HydrophobicContact CZ3-CD2 3.76Å; W491-L496 HydrophobicContact CZ3-CG 4.28Å; D493-L496 HydrophobicContact CB-CD1 4.5Å; D493-L496 WeakPolarHBondContact O-CB 3.3Å; D493-L496 WeakPolarHBondContact O-CD1 3.47Å; D493-L496 VanDerWaalsContact O-CG 3.29Å; D493-L496 WeakPolarHBondContact O-CG 3.36Å; D493-L496 PolarHBondContact O-N 3.48Å; L496-H498 PolarHBondContact O-N 3.45Å; L496-H498 VanDerWaalsContact O-N 3.14Å; L496-M499 PolarHBondContact O-N 3.43Å; L496-L517 HydrophobicContact CD2-CD1 4.29Å; L496-L520 HydrophobicContact CD2-CB 4.43Å; L496-V521 HydrophobicContact CD2-CG2 4.06Å; L496-W524 HydrophobicContact CB-CG 4.26Å
497	P	77	Confident	87.3	Confident	10 Å²	10	21 Å²	21	7%	0.065	12%	0.119	C	C	.	.	H	α-helix	trans	-55.8	-31.5	176.9	-20.1	28.6	0	0	0	114.1	S494 D495 W524 L557	S494-P497 VanDerWaalsContact O-CD 3.3Å; S494-P497 WeakPolarHBondContact O-CD 2.84Å; D495-P497 WeakPolarHBondContact O-CD 3.3Å; P497-W524 HydrophobicContact CB-CH2 3.4Å; P497-W524 VanDerWaalsContact CB-CH2 3.4Å; P497-W524 HydrophobicContact CB-CZ2 3.67Å; P497-W524 HydrophobicContact CB-CZ3 4.09Å; P497-W524 HydrophobicContact CG-CH2 3.76Å; P497-W524 HydrophobicContact CG-CZ2 3.43Å; P497-W524 VanDerWaalsContact CG-CZ2 3.43Å; P497-L557 VanDerWaalsContact C-CD2 3.46Å; P497-L557 HydrophobicContact CB-CD2 3.15Å; P497-L557 WeakPolarHBondContact O-CD1 3.45Å; P497-L557 WeakPolarHBondContact O-CD2 2.89Å
498	H	78.8	Confident	86.8	Confident	12 Å²	12	26.4 Å²	26.4	6%	0.056	14%	0.139	C	C	.	.	H	α-helix	trans	-98.6	-12.6	-174	-59.9	-70.3	0	0	0	113.7	V464 P466 D495 L496 D500 G501	V464-H498 HydrophobicContact CG1-CB 4.16Å; P466-H498 WeakPolarHBondContact CA-ND1 3.35Å; P466-H498 PolarHBondContact O-ND1 3Å; D495-H498 PolarHBondContact O-N 2.88Å; L496-H498 PolarHBondContact O-N 3.45Å; L496-H498 VanDerWaalsContact O-N 3.14Å; H498-D500 PolarHBondContact O-N 2.63Å; H498-G501 PolarHBondContact O-N 3.07Å
499	M	87.6	Confident	86.3	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-67.1	-34	-172.7	-67.8	-54	-73.3	0	0	113.4	L363 V464 W491 D495 L496 G501 I502 L503 L517 V521	L363-M499 HydrophobicContact CD1-CE 3.66Å; L363-M499 HydrophobicContact CD2-CE 4.12Å; L363-M499 HydrophobicContact CG-CE 4.41Å; V464-M499 HydrophobicContact CG1-SD 4.15Å; V464-M499 HydrophobicContact CG2-SD 4.49Å; W491-M499 HydrophobicContact CB-CE 4.32Å; W491-M499 HydrophobicContact CB-SD 4.07Å; W491-M499 HydrophobicContact CD2-CE 4.17Å; W491-M499 HydrophobicContact CE3-CG 4.49Å; W491-M499 HydrophobicContact CG-CE 3.97Å; W491-M499 HydrophobicContact CG-SD 4.29Å; D495-M499 WeakPolarHBondContact O-CG 3.47Å; D495-M499 PolarHBondContact O-N 3.44Å; L496-M499 PolarHBondContact O-N 3.43Å; M499-G501 VanDerWaalsContact C-N 3.26Å; M499-G501 PolarHBondContact O-N 2.81Å; M499-G501 VanDerWaalsContact O-N 3.16Å; M499-I502 CarbonylContact O-C 3.53Å; M499-I502 WeakPolarHBondContact O-CA 3.05Å; M499-I502 WeakPolarHBondContact O-CB 3.33Å; M499-I502 PolarHBondContact O-N 2.66Å; M499-I502 HydrophobicContact SD-CD1 4.23Å; M499-L503 WeakPolarHBondContact O-CG 3.47Å; M499-L503 PolarHBondContact O-N 3.14Å; M499-L517 HydrophobicContact CE-CD2 3.89Å; M499-V521 HydrophobicContact CB-CG2 3.61Å
500	D	86.4	Confident	85.7	Confident	55 Å²	55	30.5 Å²	30.5	29%	0.294	18%	0.179	S	C	.	.	H	α-helix	trans	-49.3	-46.6	178	175	49.4	0	0	0	113.4	H498 I502 S504 V521 K525	H498-D500 PolarHBondContact O-N 2.63Å; D500-I502 VanDerWaalsContact C-N 3.27Å; D500-I502 PolarHBondContact O-N 2.88Å; D500-S504 WeakPolarHBondContact O-CB 3.4Å; D500-S504 PolarHBondContact O-N 2.93Å; D500-V521 HydrophobicContact CB-CG1 3.93Å; D500-K525 VanDerWaalsContact CB-CE 3.42Å; D500-K525 WeakPolarHBondContact OD1-CE 3.34Å; D500-K525 IonicContact OD1-NZ 3.48Å; D500-K525 PolarHBondContact OD1-NZ 3.44Å; D500-K525 WeakPolarHBondContact OD2-CE 3.4Å; D500-K525 IonicContact OD2-NZ 2.6Å; D500-K525 PolarHBondContact OD2-NZ 2.88Å
501	G	85.7	Confident	85.3	Confident	16 Å²	16	31.6 Å²	31.6	17%	0.165	19%	0.187	C	C	.	.	H	α-helix	trans	-64.7	-34.2	179.6	0	0	0	0	0	112.5	K468 H498 M499 V505	K468-G501 WeakPolarHBondContact CB-O 3.31Å; H498-G501 PolarHBondContact O-N 3.07Å; M499-G501 VanDerWaalsContact C-N 3.26Å; M499-G501 PolarHBondContact O-N 2.81Å; M499-G501 VanDerWaalsContact O-N 3.16Å; G501-V505 VanDerWaalsContact O-CG2 3.26Å; G501-V505 WeakPolarHBondContact O-CG2 3.35Å; G501-V505 PolarHBondContact O-N 2.79Å
502	I	90.1	Very high	85	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-77.2	-48	-178.6	-64.8	175	0	0	0	110.4	L363 V464 P465 Y471 M499 D500 S504 V505 M506	L363-I502 HydrophobicContact CD2-CG2 4.16Å; V464-I502 HydrophobicContact CG1-CD1 3.33Å; P465-I502 HydrophobicContact CG-CD1 4.12Å; Y471-I502 HydrophobicContact CD1-CG1 4.42Å; Y471-I502 HydrophobicContact CD1-CG2 4.22Å; Y471-I502 HydrophobicContact CD2-CD1 4.01Å; Y471-I502 HydrophobicContact CD2-CG1 3.94Å; Y471-I502 HydrophobicContact CD2-CG2 4.02Å; Y471-I502 HydrophobicContact CE1-CG2 3.88Å; Y471-I502 HydrophobicContact CE2-CD1 4.46Å; Y471-I502 HydrophobicContact CE2-CG1 4.44Å; Y471-I502 HydrophobicContact CE2-CG2 3.66Å; Y471-I502 HydrophobicContact CG-CD1 4.45Å; Y471-I502 HydrophobicContact CG-CG1 3.93Å; Y471-I502 HydrophobicContact CG-CG2 4.29Å; M499-I502 CarbonylContact O-C 3.53Å; M499-I502 WeakPolarHBondContact O-CA 3.05Å; M499-I502 WeakPolarHBondContact O-CB 3.33Å; M499-I502 PolarHBondContact O-N 2.66Å; M499-I502 HydrophobicContact SD-CD1 4.23Å; D500-I502 VanDerWaalsContact C-N 3.27Å; D500-I502 PolarHBondContact O-N 2.88Å; I502-S504 VanDerWaalsContact C-N 3.27Å; I502-S504 PolarHBondContact O-N 2.98Å; I502-V505 WeakPolarHBondContact O-CA 3.37Å; I502-V505 WeakPolarHBondContact O-CB 3.42Å; I502-V505 PolarHBondContact O-N 2.82Å; I502-M506 HydrophobicContact CG2-CG 4.44Å; I502-M506 HydrophobicContact CG2-SD 4.11Å; I502-M506 PolarHBondContact O-N 3.29Å
503	L	91.9	Very high	85	Confident	6 Å²	6	41 Å²	41	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-57.4	-43.2	175.8	-58.8	175.6	0	0	0	110.6	L363 M499 V505 M506 K507 V513 L517 E518 V521	L363-L503 HydrophobicContact CD1-CD2 3.71Å; M499-L503 WeakPolarHBondContact O-CG 3.47Å; M499-L503 PolarHBondContact O-N 3.14Å; L503-V505 VanDerWaalsContact C-N 3.25Å; L503-V505 PolarHBondContact O-N 2.88Å; L503-M506 PolarHBondContact O-N 2.89Å; L503-K507 WeakPolarHBondContact O-CG 3.34Å; L503-K507 PolarHBondContact O-N 3.26Å; L503-V513 HydrophobicContact CB-CG1 4.35Å; L503-V513 HydrophobicContact CD2-CG1 3.48Å; L503-V513 VanDerWaalsContact CD2-CG1 3.48Å; L503-V513 HydrophobicContact CG-CG1 4.33Å; L503-L517 HydrophobicContact CD1-CG 4.33Å; L503-L517 HydrophobicContact CD2-CD2 3.78Å; L503-L517 HydrophobicContact CD2-CG 4.11Å; L503-E518 HydrophobicContact CD1-CB 4.45Å; L503-V521 HydrophobicContact CD1-CB 4.22Å; L503-V521 HydrophobicContact CD1-CG1 4.49Å; L503-V521 HydrophobicContact CD1-CG2 3.89Å
504	S	88.2	Confident	85.4	Confident	36 Å²	36	41.7 Å²	41.7	25%	0.252	24%	0.237	S	C	.	.	H	α-helix	trans	-61.9	-30.3	174.6	174.2	0	0	0	0	113.4	D500 I502 R508	D500-S504 WeakPolarHBondContact O-CB 3.4Å; D500-S504 PolarHBondContact O-N 2.93Å; I502-S504 VanDerWaalsContact C-N 3.27Å; I502-S504 PolarHBondContact O-N 2.98Å; S504-R508 VanDerWaalsContact O-CD 3.28Å; S504-R508 WeakPolarHBondContact O-CD 3.47Å; S504-R508 WeakPolarHBondContact O-CG 3.21Å
505	V	87.5	Confident	85.9	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-76.9	-46.1	176.6	171.1	0	0	0	0	110.1	A355 K468 Y471 I472 G501 I502 L503 K507 R508 S509	A355-V505 HydrophobicContact CB-CG1 3.85Å; K468-V505 HydrophobicContact CB-CG2 3.97Å; Y471-V505 HydrophobicContact CD1-CB 4.1Å; Y471-V505 HydrophobicContact CD1-CG1 3.85Å; Y471-V505 HydrophobicContact CE1-CB 4.3Å; Y471-V505 HydrophobicContact CE1-CG1 3.96Å; I472-V505 HydrophobicContact CD1-CG1 4.46Å; I472-V505 HydrophobicContact CD1-CG2 3.92Å; I472-V505 HydrophobicContact CG1-CG1 3.73Å; I472-V505 HydrophobicContact CG1-CG2 3.89Å; G501-V505 VanDerWaalsContact O-CG2 3.26Å; G501-V505 WeakPolarHBondContact O-CG2 3.35Å; G501-V505 PolarHBondContact O-N 2.79Å; I502-V505 WeakPolarHBondContact O-CA 3.37Å; I502-V505 WeakPolarHBondContact O-CB 3.42Å; I502-V505 PolarHBondContact O-N 2.82Å; L503-V505 VanDerWaalsContact C-N 3.25Å; L503-V505 PolarHBondContact O-N 2.88Å; V505-K507 PolarHBondContact O-N 2.92Å; V505-R508 PolarHBondContact O-N 2.76Å; V505-R508 VanDerWaalsContact O-N 3.14Å; V505-S509 PolarHBondContact O-N 3.23Å; V505-S509 PolarHBondContact O-OG 2.86Å
506	M	90.6	Very high	85.8	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.015	27%	0.267	C	S	.	.	H	α-helix	trans	-58.9	-47	179.2	-74.1	-179	66.8	0	0	112.1	Q361 L363 Y471 I502 L503 R508 S509 G510 S511 V513	Q361-M506 HydrophobicContact CB-CE 3.96Å; Q361-M506 HydrophobicContact CB-CG 4.25Å; Q361-M506 HydrophobicContact CB-SD 4.46Å; L363-M506 HydrophobicContact CD1-CE 4.26Å; L363-M506 HydrophobicContact CD1-SD 3.65Å; L363-M506 HydrophobicContact CD2-SD 3.8Å; L363-M506 HydrophobicContact CG-CE 4Å; L363-M506 HydrophobicContact CG-SD 3.62Å; Y471-M506 HydrophobicContact CE1-CG 4.29Å; I502-M506 HydrophobicContact CG2-CG 4.44Å; I502-M506 HydrophobicContact CG2-SD 4.11Å; I502-M506 PolarHBondContact O-N 3.29Å; L503-M506 PolarHBondContact O-N 2.89Å; M506-R508 VanDerWaalsContact C-N 3.29Å; M506-R508 PolarHBondContact O-N 2.87Å; M506-S509 WeakPolarHBondContact CA-OG 3.43Å; M506-S509 PolarHBondContact O-N 2.97Å; M506-S509 VanDerWaalsContact O-N 3.16Å; M506-S509 PolarHBondContact O-OG 2.65Å; M506-G510 PolarHBondContact O-N 3.33Å; M506-S511 PolarHBondContact O-N 2.86Å; M506-V513 HydrophobicContact CB-CG2 3.71Å; M506-V513 HydrophobicContact CE-CG2 4.38Å
507	K	88.8	Confident	86	Confident	98 Å²	98	49.1 Å²	49.1	43%	0.426	26%	0.263	S	S	.	.	H	α-helix	trans	-57.7	-41.2	174.8	-71.8	-172.7	173.9	-161.8	0	112.4	L503 V505 S509 G510 V513 E518	L503-K507 WeakPolarHBondContact O-CG 3.34Å; L503-K507 PolarHBondContact O-N 3.26Å; V505-K507 PolarHBondContact O-N 2.92Å; K507-S509 VanDerWaalsContact C-N 3.34Å; K507-G510 PolarHBondContact O-N 2.95Å; K507-V513 HydrophobicContact CG-CB 4.32Å; K507-V513 HydrophobicContact CG-CG2 3.79Å; K507-E518 WeakPolarHBondContact CE-OE2 3.46Å; K507-E518 IonicContact NZ-OE1 3.92Å; K507-E518 PolarHBondContact NZ-OE1 3.47Å; K507-E518 IonicContact NZ-OE2 2.73Å; K507-E518 PolarHBondContact NZ-OE2 3.08Å
508	R	85.2	Confident	86.4	Confident	113 Å²	113	51.6 Å²	51.6	43%	0.426	27%	0.274	S	S	.	.	H	α-helix	trans	-72	-26.4	180	-73.3	174.3	-171.9	-151.4	-1.2	113.6	R352 A354 S504 V505 M506 G510	R352-R508 PolarHBondContact O-NH1 2.81Å; R352-R508 VanDerWaalsContact O-NH1 3.14Å; A354-R508 HydrophobicContact CB-CB 4.2Å; S504-R508 VanDerWaalsContact O-CD 3.28Å; S504-R508 WeakPolarHBondContact O-CD 3.47Å; S504-R508 WeakPolarHBondContact O-CG 3.21Å; V505-R508 PolarHBondContact O-N 2.76Å; V505-R508 VanDerWaalsContact O-N 3.14Å; M506-R508 VanDerWaalsContact C-N 3.29Å; M506-R508 PolarHBondContact O-N 2.87Å; R508-G510 VanDerWaalsContact C-N 3.28Å
509	S	83.2	Confident	86.7	Confident	16 Å²	16	57.8 Å²	57.8	11%	0.112	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-0.9	172.9	51.3	0	0	0	0	113.3	Q361 V505 M506 K507 S511	Q361-S509 PolarHBondContact NE2-OG 3.2Å; V505-S509 PolarHBondContact O-N 3.23Å; V505-S509 PolarHBondContact O-OG 2.86Å; M506-S509 WeakPolarHBondContact CA-OG 3.43Å; M506-S509 PolarHBondContact O-N 2.97Å; M506-S509 VanDerWaalsContact O-N 3.16Å; M506-S509 PolarHBondContact O-OG 2.65Å; K507-S509 VanDerWaalsContact C-N 3.34Å; S509-S511 PolarHBondContact OG-OG 2.84Å
510	G	83.7	Confident	86.4	Confident	70 Å²	70	60.9 Å²	60.9	72%	0.722	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	18.1	-177.6	0	0	0	0	0	114.2	M506 K507 R508	M506-G510 PolarHBondContact O-N 3.33Å; K507-G510 PolarHBondContact O-N 2.95Å; R508-G510 VanDerWaalsContact C-N 3.28Å
511	S	86.5	Confident	86.2	Confident	24 Å²	24	58.3 Å²	58.3	17%	0.168	30%	0.299	C	S	.	.			trans	-83.1	142.6	175.6	-54.2	0	0	0	0	110.6	Q361 M506 S509	Q361-S511 PolarHBondContact NE2-OG 3.5Å; Q361-S511 VanDerWaalsContact NE2-OG 3.16Å; M506-S511 PolarHBondContact O-N 2.86Å; S509-S511 PolarHBondContact OG-OG 2.84Å
512	E	86.1	Confident	86.1	Confident	184 Å²	184	60.5 Å²	60.5	86%	0.86	31%	0.307	S	S	*	.			trans	-62	138.1	172.6	-67.6	173.2	-173.4	0	0	110.3
513	V	87.1	Confident	85.5	Confident	28 Å²	28	62.8 Å²	62.8	17%	0.17	32%	0.318	C	S	.	.			trans	-128.3	128	179.1	174.1	0	0	0	0	107.7	L503 M506 K507 E515	L503-V513 HydrophobicContact CB-CG1 4.35Å; L503-V513 HydrophobicContact CD2-CG1 3.48Å; L503-V513 VanDerWaalsContact CD2-CG1 3.48Å; L503-V513 HydrophobicContact CG-CG1 4.33Å; M506-V513 HydrophobicContact CB-CG2 3.71Å; M506-V513 HydrophobicContact CE-CG2 4.38Å; K507-V513 HydrophobicContact CG-CB 4.32Å; K507-V513 HydrophobicContact CG-CG2 3.79Å; V513-E515 PolarHBondContact O-N 3.09Å
514	D	87	Confident	85	Confident	102 Å²	102	65.3 Å²	65.3	55%	0.545	33%	0.327	S	S	.	.			trans	-59.3	121.6	175	-179.4	0.6	0	0	0	110.7	E516 L517 E518	D514-E516 VanDerWaalsContact C-N 3.29Å; D514-E516 PolarHBondContact O-N 3.33Å; D514-E516 PolarHBondContact OD1-N 3.34Å; D514-L517 HydrophobicContact CB-CB 4.01Å; D514-L517 PolarHBondContact O-N 3.31Å; D514-E518 PolarHBondContact O-N 3.04Å; D514-E518 VanDerWaalsContact O-N 3.14Å
515	E	87	Confident	84.2	Confident	160 Å²	160	66.5 Å²	66.5	75%	0.748	33%	0.327	S	S	*	.	H	α-helix	trans	-64.1	-35	-179.1	-63.5	-172.9	170.3	0	0	111.7	V513 E518 R519	V513-E515 PolarHBondContact O-N 3.09Å; E515-E518 PolarHBondContact O-N 3.43Å; E515-R519 PolarHBondContact O-N 3.41Å
516	E	81.3	Confident	83.5	Confident	91 Å²	91	73.4 Å²	73.4	43%	0.425	36%	0.357	S	S	.	.	H	α-helix	trans	-69	-39.6	178.9	-175.2	58	-158.2	0	0	110.5	D514 E518 R519 L520	D514-E516 VanDerWaalsContact C-N 3.29Å; D514-E516 PolarHBondContact O-N 3.33Å; D514-E516 PolarHBondContact OD1-N 3.34Å; E516-E518 VanDerWaalsContact C-N 3.32Å; E516-E518 PolarHBondContact O-N 3.33Å; E516-R519 WeakPolarHBondContact O-CB 3.33Å; E516-R519 PolarHBondContact O-N 2.85Å; E516-R519 IonicContact OE2-NH1 3.83Å; E516-L520 HydrophobicContact CG-CD1 4.47Å; E516-L520 WeakPolarHBondContact O-CB 3.09Å; E516-L520 VanDerWaalsContact O-CG 3.3Å; E516-L520 WeakPolarHBondContact O-CG 3.49Å; E516-L520 PolarHBondContact O-N 3.45Å
517	L	85.4	Confident	82.5	Confident	5 Å²	5	79.8 Å²	79.8	3%	0.026	38%	0.381	C	S	.	.	H	α-helix	trans	-62	-40.7	173.3	178.3	54.8	0	0	0	111.9	L363 W491 L496 M499 L503 D514 L520 V521	L363-L517 HydrophobicContact CD1-CD2 3.58Å; W491-L517 HydrophobicContact CE3-CD1 4.47Å; W491-L517 HydrophobicContact CH2-CD1 3.37Å; W491-L517 HydrophobicContact CZ2-CD1 3.47Å; W491-L517 VanDerWaalsContact CZ2-CD1 3.47Å; W491-L517 HydrophobicContact CZ2-CD2 4.05Å; W491-L517 HydrophobicContact CZ2-CG 4.3Å; W491-L517 HydrophobicContact CZ3-CD1 3.9Å; L496-L517 HydrophobicContact CD2-CD1 4.29Å; M499-L517 HydrophobicContact CE-CD2 3.89Å; L503-L517 HydrophobicContact CD1-CG 4.33Å; L503-L517 HydrophobicContact CD2-CD2 3.78Å; L503-L517 HydrophobicContact CD2-CG 4.11Å; D514-L517 HydrophobicContact CB-CB 4.01Å; D514-L517 PolarHBondContact O-N 3.31Å; L517-L520 PolarHBondContact O-N 3.16Å; L517-V521 HydrophobicContact CD1-CG2 4.19Å; L517-V521 VanDerWaalsContact O-CG2 3.3Å; L517-V521 WeakPolarHBondContact O-CG2 3.27Å; L517-V521 PolarHBondContact O-N 3.12Å
518	E	86.8	Confident	81.5	Confident	63 Å²	63	77.5 Å²	77.5	29%	0.294	37%	0.37	S	S	.	.	H	α-helix	trans	-63.8	-42.3	175.2	-179.6	168	-143.2	0	0	112	L503 K507 D514 E515 E516 V521 N522	L503-E518 HydrophobicContact CD1-CB 4.45Å; K507-E518 WeakPolarHBondContact CE-OE2 3.46Å; K507-E518 IonicContact NZ-OE1 3.92Å; K507-E518 PolarHBondContact NZ-OE1 3.47Å; K507-E518 IonicContact NZ-OE2 2.73Å; K507-E518 PolarHBondContact NZ-OE2 3.08Å; D514-E518 PolarHBondContact O-N 3.04Å; D514-E518 VanDerWaalsContact O-N 3.14Å; E515-E518 PolarHBondContact O-N 3.43Å; E516-E518 VanDerWaalsContact C-N 3.32Å; E516-E518 PolarHBondContact O-N 3.33Å; E518-V521 PolarHBondContact O-N 2.61Å; E518-N522 WeakPolarHBondContact O-CB 3.31Å; E518-N522 VanDerWaalsContact O-CG 3.26Å; E518-N522 PolarHBondContact O-N 3.45Å; E518-N522 PolarHBondContact O-ND2 3.47Å
519	R	84.8	Confident	80.4	Confident	141 Å²	141	73.4 Å²	73.4	53%	0.532	36%	0.358	S	S	.	.	H	α-helix	trans	-57.9	-50.3	173.3	-178.6	-171.3	169.4	175	-0.4	110.9	E515 E516 V521 N522 E523	E515-R519 PolarHBondContact O-N 3.41Å; E516-R519 WeakPolarHBondContact O-CB 3.33Å; E516-R519 PolarHBondContact O-N 2.85Å; E516-R519 IonicContact OE2-NH1 3.83Å; R519-V521 VanDerWaalsContact C-N 3.34Å; R519-V521 PolarHBondContact O-N 3.29Å; R519-N522 PolarHBondContact O-N 2.64Å; R519-N522 VanDerWaalsContact O-N 3.12Å; R519-E523 HydrophobicContact CG-CG 4.41Å; R519-E523 IonicContact CZ-OE1 3.26Å; R519-E523 IonicContact NE-OE1 3.21Å; R519-E523 PolarHBondContact NE-OE1 2.67Å; R519-E523 IonicContact NH2-OE1 3.96Å; R519-E523 PolarHBondContact NH2-OE1 3.11Å; R519-E523 WeakPolarHBondContact O-CG 3.46Å; R519-E523 PolarHBondContact O-N 3.13Å
520	L	80.3	Confident	79.5	Confident	65 Å²	65	75.6 Å²	75.6	34%	0.34	37%	0.368	S	S	.	.	H	α-helix	trans	-58	-43.7	178.7	-73.1	172.6	0	0	0	112.2	L496 E516 L517 E523 W524	L496-L520 HydrophobicContact CD2-CB 4.43Å; E516-L520 HydrophobicContact CG-CD1 4.47Å; E516-L520 WeakPolarHBondContact O-CB 3.09Å; E516-L520 VanDerWaalsContact O-CG 3.3Å; E516-L520 WeakPolarHBondContact O-CG 3.49Å; E516-L520 PolarHBondContact O-N 3.45Å; L517-L520 PolarHBondContact O-N 3.16Å; L520-E523 PolarHBondContact O-N 2.94Å; L520-W524 VanDerWaalsContact O-CB 3.28Å; L520-W524 WeakPolarHBondContact O-CB 3.38Å; L520-W524 PolarHBondContact O-N 3.47Å
521	V	83.9	Confident	78.5	Confident	2 Å²	2	75.2 Å²	75.2	1%	0.012	35%	0.349	C	S	.	.	H	α-helix	trans	-64.6	-40.6	176.7	170.4	0	0	0	0	111.4	L496 M499 D500 L503 L517 E518 R519 W524 K525	L496-V521 HydrophobicContact CD2-CG2 4.06Å; M499-V521 HydrophobicContact CB-CG2 3.61Å; D500-V521 HydrophobicContact CB-CG1 3.93Å; L503-V521 HydrophobicContact CD1-CB 4.22Å; L503-V521 HydrophobicContact CD1-CG1 4.49Å; L503-V521 HydrophobicContact CD1-CG2 3.89Å; L517-V521 HydrophobicContact CD1-CG2 4.19Å; L517-V521 VanDerWaalsContact O-CG2 3.3Å; L517-V521 WeakPolarHBondContact O-CG2 3.27Å; L517-V521 PolarHBondContact O-N 3.12Å; E518-V521 PolarHBondContact O-N 2.61Å; R519-V521 VanDerWaalsContact C-N 3.34Å; R519-V521 PolarHBondContact O-N 3.29Å; V521-W524 PolarHBondContact O-N 3.42Å; V521-K525 WeakPolarHBondContact O-CG 3.43Å; V521-K525 PolarHBondContact O-N 3.49Å
522	N	82.9	Confident	77	Confident	62 Å²	62	75 Å²	75	33%	0.332	35%	0.345	S	S	.	.	H	α-helix	trans	-69.1	-41.8	178	-73.7	-28.1	0	0	0	112.2	E518 R519 K525 K526	E518-N522 WeakPolarHBondContact O-CB 3.31Å; E518-N522 VanDerWaalsContact O-CG 3.26Å; E518-N522 PolarHBondContact O-N 3.45Å; E518-N522 PolarHBondContact O-ND2 3.47Å; R519-N522 PolarHBondContact O-N 2.64Å; R519-N522 VanDerWaalsContact O-N 3.12Å; N522-K525 PolarHBondContact O-N 3.11Å; N522-K526 WeakPolarHBondContact O-CG 3.14Å; N522-K526 PolarHBondContact O-N 3.3Å
523	E	77.6	Confident	75.8	Confident	49 Å²	49	68.6 Å²	68.6	23%	0.229	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-46.2	172.5	-74.7	-171.4	-168.6	0	0	111.2	R519 L520 K525 K526 R527	R519-E523 HydrophobicContact CG-CG 4.41Å; R519-E523 IonicContact CZ-OE1 3.26Å; R519-E523 IonicContact NE-OE1 3.21Å; R519-E523 PolarHBondContact NE-OE1 2.67Å; R519-E523 IonicContact NH2-OE1 3.96Å; R519-E523 PolarHBondContact NH2-OE1 3.11Å; R519-E523 WeakPolarHBondContact O-CG 3.46Å; R519-E523 PolarHBondContact O-N 3.13Å; L520-E523 PolarHBondContact O-N 2.94Å; E523-K525 PolarHBondContact O-N 3.3Å; E523-K526 PolarHBondContact O-N 3.15Å; E523-R527 WeakPolarHBondContact O-CB 3.4Å; E523-R527 WeakPolarHBondContact O-CG 3.47Å; E523-R527 PolarHBondContact O-N 3.21Å; E523-R527 IonicContact OE2-CZ 2.87Å; E523-R527 IonicContact OE2-NH1 3.38Å; E523-R527 IonicContact OE2-NH2 2.65Å; E523-R527 PolarHBondContact OE2-NH2 2.9Å
524	W	80.1	Confident	74.3	Confident	59 Å²	59	72.6 Å²	72.6	22%	0.223	34%	0.336	C	S	.	.	H	α-helix	trans	-59	-45.1	176.7	-177.8	92.7	0	0	0	111.9	L496 P497 L520 V521 R527 R528 L557	L496-W524 HydrophobicContact CB-CG 4.26Å; P497-W524 HydrophobicContact CB-CH2 3.4Å; P497-W524 VanDerWaalsContact CB-CH2 3.4Å; P497-W524 HydrophobicContact CB-CZ2 3.67Å; P497-W524 HydrophobicContact CB-CZ3 4.09Å; P497-W524 HydrophobicContact CG-CH2 3.76Å; P497-W524 HydrophobicContact CG-CZ2 3.43Å; P497-W524 VanDerWaalsContact CG-CZ2 3.43Å; L520-W524 VanDerWaalsContact O-CB 3.28Å; L520-W524 WeakPolarHBondContact O-CB 3.38Å; L520-W524 PolarHBondContact O-N 3.47Å; V521-W524 PolarHBondContact O-N 3.42Å; W524-R527 PolarHBondContact O-N 2.92Å; W524-R528 HydrophobicContact CH2-CG 4.4Å; W524-R528 VanDerWaalsContact CH2-NH1 3.32Å; W524-R528 VanDerWaalsContact CZ2-CD 3.45Å; W524-R528 VanDerWaalsContact O-CB 3.31Å; W524-R528 WeakPolarHBondContact O-CB 3.43Å; W524-R528 PolarHBondContact O-N 2.93Å; W524-L557 HydrophobicContact CH2-CD2 4.45Å
525	K	72.4	Confident	72.8	Confident	60 Å²	60	69.5 Å²	69.5	26%	0.261	32%	0.318	S	S	.	.	H	α-helix	trans	-60.6	-49.2	175.9	-76.9	173.9	-173.7	165.7	0	111.9	D500 V521 N522 E523 R528 V529	D500-K525 VanDerWaalsContact CB-CE 3.42Å; D500-K525 WeakPolarHBondContact OD1-CE 3.34Å; D500-K525 IonicContact OD1-NZ 3.48Å; D500-K525 PolarHBondContact OD1-NZ 3.44Å; D500-K525 WeakPolarHBondContact OD2-CE 3.4Å; D500-K525 IonicContact OD2-NZ 2.6Å; D500-K525 PolarHBondContact OD2-NZ 2.88Å; V521-K525 WeakPolarHBondContact O-CG 3.43Å; V521-K525 PolarHBondContact O-N 3.49Å; N522-K525 PolarHBondContact O-N 3.11Å; E523-K525 PolarHBondContact O-N 3.3Å; K525-R528 PolarHBondContact O-N 3.24Å; K525-V529 WeakPolarHBondContact O-CG2 3.11Å; K525-V529 PolarHBondContact O-N 3.4Å
526	K	73.4	Confident	71.3	Confident	147 Å²	147	64.6 Å²	64.6	64%	0.639	30%	0.302	S	S	*	.	H	α-helix	trans	-58.1	-49.5	179.1	-74.7	177.4	-179.9	-178.6	0	110.7	N522 E523 R528 V529 N530	N522-K526 WeakPolarHBondContact O-CG 3.14Å; N522-K526 PolarHBondContact O-N 3.3Å; E523-K526 PolarHBondContact O-N 3.15Å; K526-R528 VanDerWaalsContact C-N 3.32Å; K526-R528 PolarHBondContact O-N 3.44Å; K526-V529 PolarHBondContact O-N 3.07Å; K526-N530 WeakPolarHBondContact O-CB 3.37Å; K526-N530 PolarHBondContact O-N 3.36Å; K526-N530 PolarHBondContact O-OD1 3.11Å
527	R	69.1	Low	70.3	Confident	136 Å²	136	69.4 Å²	69.4	51%	0.513	32%	0.321	S	S	.	.	H	α-helix	trans	-59.3	-42.5	177.4	-72	180	-172.5	137.7	14.8	111.6	E523 W524 N530 L531	E523-R527 WeakPolarHBondContact O-CB 3.4Å; E523-R527 WeakPolarHBondContact O-CG 3.47Å; E523-R527 PolarHBondContact O-N 3.21Å; E523-R527 IonicContact OE2-CZ 2.87Å; E523-R527 IonicContact OE2-NH1 3.38Å; E523-R527 IonicContact OE2-NH2 2.65Å; E523-R527 PolarHBondContact OE2-NH2 2.9Å; W524-R527 PolarHBondContact O-N 2.92Å; R527-N530 PolarHBondContact O-N 2.79Å; R527-L531 WeakPolarHBondContact O-CB 3.19Å; R527-L531 VanDerWaalsContact O-CG 3.29Å; R527-L531 WeakPolarHBondContact O-CG 3.43Å; R527-L531 PolarHBondContact O-N 3.45Å
528	R	66.8	Low	68.8	Low	51 Å²	51	72.3 Å²	72.3	19%	0.192	35%	0.346	C	S	.	.	H	α-helix	trans	-68.4	-40.2	179	-171.8	175.8	167.1	128.9	3.2	113.2	W524 K525 K526 N530 L531 M532 A558 V561	W524-R528 HydrophobicContact CH2-CG 4.4Å; W524-R528 VanDerWaalsContact CH2-NH1 3.32Å; W524-R528 VanDerWaalsContact CZ2-CD 3.45Å; W524-R528 VanDerWaalsContact O-CB 3.31Å; W524-R528 WeakPolarHBondContact O-CB 3.43Å; W524-R528 PolarHBondContact O-N 2.93Å; K525-R528 PolarHBondContact O-N 3.24Å; K526-R528 VanDerWaalsContact C-N 3.32Å; K526-R528 PolarHBondContact O-N 3.44Å; R528-N530 VanDerWaalsContact C-N 3.33Å; R528-L531 PolarHBondContact O-N 3.32Å; R528-M532 WeakPolarHBondContact O-CG 3.08Å; R528-M532 PolarHBondContact O-N 3.26Å; R528-A558 VanDerWaalsContact NH2-CA 3.32Å; R528-V561 HydrophobicContact CG-CG1 4.15Å
529	V	63.6	Low	67.4	Low	27 Å²	27	73.8 Å²	73.8	16%	0.164	35%	0.353	C	S	.	.	H	α-helix	trans	-59.5	-48	172.5	168.3	0	0	0	0	109.4	K525 K526 L531 M532 C533 V561	K525-V529 WeakPolarHBondContact O-CG2 3.11Å; K525-V529 PolarHBondContact O-N 3.4Å; K526-V529 PolarHBondContact O-N 3.07Å; V529-L531 PolarHBondContact O-N 2.81Å; V529-M532 PolarHBondContact O-N 3.33Å; V529-C533 WeakPolarHBondContact O-CB 3.31Å; V529-C533 PolarHBondContact O-N 2.79Å; V529-C533 PolarHBondContact O-SG 3.3Å; V529-V561 HydrophobicContact CG2-CG1 3.81Å
530	N	64.2	Low	66.1	Low	61 Å²	61	69.7 Å²	69.7	33%	0.326	34%	0.337	S	S	.	.	H	α-helix	trans	-60.3	-44.6	178.4	-68.5	-8.4	0	0	0	112.4	K526 R527 R528 M532 C533 K534	K526-N530 WeakPolarHBondContact O-CB 3.37Å; K526-N530 PolarHBondContact O-N 3.36Å; K526-N530 PolarHBondContact O-OD1 3.11Å; R527-N530 PolarHBondContact O-N 2.79Å; R528-N530 VanDerWaalsContact C-N 3.33Å; N530-M532 PolarHBondContact O-N 2.68Å; N530-C533 PolarHBondContact O-N 2.84Å; N530-K534 VanDerWaalsContact O-CG 3.31Å; N530-K534 WeakPolarHBondContact O-CG 3.47Å; N530-K534 PolarHBondContact O-N 3.22Å; N530-K534 VanDerWaalsContact O-N 3.11Å
531	L	61.9	Low	64.7	Low	62 Å²	62	72.5 Å²	72.5	33%	0.325	35%	0.347	S	S	.	.	H	α-helix	trans	-60.4	-44.7	177	-77	167	0	0	0	111.8	R527 R528 V529 K534 Q535 F583	R527-L531 WeakPolarHBondContact O-CB 3.19Å; R527-L531 VanDerWaalsContact O-CG 3.29Å; R527-L531 WeakPolarHBondContact O-CG 3.43Å; R527-L531 PolarHBondContact O-N 3.45Å; R528-L531 PolarHBondContact O-N 3.32Å; V529-L531 PolarHBondContact O-N 2.81Å; L531-K534 PolarHBondContact O-N 2.67Å; L531-Q535 WeakPolarHBondContact O-CG 3.41Å; L531-Q535 PolarHBondContact O-N 2.65Å; L531-F583 HydrophobicContact CD2-CE1 4.25Å; L531-F583 HydrophobicContact CD2-CZ 3.88Å
532	M	55.9	Low	63.1	Low	19 Å²	19	79.4 Å²	79.4	9%	0.094	38%	0.379	C	S	.	.	H	α-helix	trans	-73.7	-32.7	179.7	-66.7	-162.5	-42.2	0	0	112.8	R528 V529 N530 K534 Q535 R540 V561 L562	R528-M532 WeakPolarHBondContact O-CG 3.08Å; R528-M532 PolarHBondContact O-N 3.26Å; V529-M532 PolarHBondContact O-N 3.33Å; N530-M532 PolarHBondContact O-N 2.68Å; M532-K534 VanDerWaalsContact C-N 3.3Å; M532-K534 PolarHBondContact O-N 3.38Å; M532-Q535 PolarHBondContact O-N 2.93Å; M532-R540 PolarHBondContact O-NE 3.31Å; M532-R540 PolarHBondContact O-NH2 3.07Å; M532-V561 HydrophobicContact CE-CB 3.49Å; M532-V561 VanDerWaalsContact CE-CB 3.49Å; M532-V561 HydrophobicContact CE-CG1 3.19Å; M532-V561 HydrophobicContact SD-CG1 4.49Å; M532-L562 HydrophobicContact CB-CD2 4.23Å; M532-L562 HydrophobicContact CE-CB 4.22Å; M532-L562 HydrophobicContact CE-CD2 3.64Å; M532-L562 HydrophobicContact CE-CG 3.6Å; M532-L562 VanDerWaalsContact CE-N 3.32Å; M532-L562 HydrophobicContact CG-CD2 4.39Å; M532-L562 HydrophobicContact SD-CD2 3.54Å; M532-L562 VanDerWaalsContact SD-CD2 3.54Å; M532-L562 HydrophobicContact SD-CG 3.65Å
533	C	59.5	Low	61.5	Low	51 Å²	51	80.4 Å²	80.4	35%	0.345	38%	0.384	S	S	.	.	H	α-helix	trans	-63.5	-36.2	174.3	-72.9	0	0	0	0	112	V529 N530 R540	V529-C533 WeakPolarHBondContact O-CB 3.31Å; V529-C533 PolarHBondContact O-N 2.79Å; V529-C533 PolarHBondContact O-SG 3.3Å; N530-C533 PolarHBondContact O-N 2.84Å; C533-R540 PolarHBondContact O-NH2 3.12Å
534	K	55.4	Low	60.1	Low	112 Å²	112	80.9 Å²	80.9	49%	0.487	39%	0.388	S	S	.	.	H	α-helix	trans	-78.4	-17.1	-179	-71	176.5	179.9	-176.4	0	115.3	N530 L531 M532 I574	N530-K534 VanDerWaalsContact O-CG 3.31Å; N530-K534 WeakPolarHBondContact O-CG 3.47Å; N530-K534 PolarHBondContact O-N 3.22Å; N530-K534 VanDerWaalsContact O-N 3.11Å; L531-K534 PolarHBondContact O-N 2.67Å; M532-K534 VanDerWaalsContact C-N 3.3Å; M532-K534 PolarHBondContact O-N 3.38Å; K534-I574 PolarHBondContact NZ-O 2.65Å
535	Q	56.3	Low	58.3	Low	36 Å²	36	84 Å²	84	17%	0.168	41%	0.408	C	S	.	.	S	Bend	trans	-82.6	141.1	-178.1	-76.2	166.3	0.8	0	0	112.2	L531 M532 E539 R540 L543	L531-Q535 WeakPolarHBondContact O-CG 3.41Å; L531-Q535 PolarHBondContact O-N 2.65Å; M532-Q535 PolarHBondContact O-N 2.93Å; Q535-E539 WeakPolarHBondContact CA-OE2 3.38Å; Q535-E539 HydrophobicContact CB-CB 4.03Å; Q535-E539 HydrophobicContact CG-CB 4.34Å; Q535-R540 HydrophobicContact CB-CG 3.81Å; Q535-R540 PolarHBondContact O-NE 3.33Å; Q535-R540 PolarHBondContact O-NH2 3.39Å; Q535-L543 HydrophobicContact CG-CD1 4.41Å
536	S	56.5	Low	56.8	Low	58 Å²	58	84 Å²	84	41%	0.406	43%	0.427	S	S	.	.			trans	-60.3	156.5	173.3	79.9	0	0	0	0	110.7	A538 E539 R540	S536-A538 PolarHBondContact O-N 2.78Å; S536-A538 VanDerWaalsContact O-N 3.11Å; S536-A538 PolarHBondContact OG-N 3.42Å; S536-E539 PolarHBondContact N-OE2 3.15Å; S536-E539 PolarHBondContact O-N 2.77Å; S536-E539 VanDerWaalsContact O-N 3.13Å; S536-E539 WeakPolarHBondContact OG-CG 3.41Å; S536-E539 PolarHBondContact OG-N 2.85Å; S536-E539 VanDerWaalsContact OG-N 3.14Å; S536-R540 WeakPolarHBondContact O-CG 3.16Å; S536-R540 PolarHBondContact O-N 3.33Å
537	K	59.6	Low	55.2	Low	191 Å²	191	79 Å²	79	83%	0.83	41%	0.41	S	S	*	.	H	α-helix	trans	-53.2	-34	175.9	-78	-178	179.7	173.7	0	112.3	K541	K537-K541 PolarHBondContact O-N 3.31Å
538	A	54.7	Low	53.8	Low	67 Å²	67	74.3 Å²	74.3	55%	0.554	39%	0.394	S	S	*	.	H	α-helix	trans	-71.9	-44.2	178.6	0	0	0	0	0	112.3	S536 K541 Q542	S536-A538 PolarHBondContact O-N 2.78Å; S536-A538 VanDerWaalsContact O-N 3.11Å; S536-A538 PolarHBondContact OG-N 3.42Å; A538-K541 WeakPolarHBondContact O-CB 3.48Å; A538-K541 PolarHBondContact O-N 3.18Å; A538-K541 VanDerWaalsContact O-N 3.15Å; A538-Q542 PolarHBondContact O-N 3.49Å
539	E	56.2	Low	52.6	Low	94 Å²	94	72.4 Å²	72.4	44%	0.439	39%	0.389	S	S	.	.	H	α-helix	trans	-65.5	-40.6	176.8	-72.2	169.8	158.5	0	0	112	Q535 S536 K541 Q542 L543	Q535-E539 WeakPolarHBondContact CA-OE2 3.38Å; Q535-E539 HydrophobicContact CB-CB 4.03Å; Q535-E539 HydrophobicContact CG-CB 4.34Å; S536-E539 PolarHBondContact N-OE2 3.15Å; S536-E539 PolarHBondContact O-N 2.77Å; S536-E539 VanDerWaalsContact O-N 3.13Å; S536-E539 WeakPolarHBondContact OG-CG 3.41Å; S536-E539 PolarHBondContact OG-N 2.85Å; S536-E539 VanDerWaalsContact OG-N 3.14Å; E539-K541 PolarHBondContact O-N 3.5Å; E539-Q542 PolarHBondContact O-N 3.42Å; E539-L543 PolarHBondContact O-N 3.39Å
540	R	57.7	Low	51.6	Low	55 Å²	55	81 Å²	81	21%	0.208	42%	0.418	C	S	.	.	H	α-helix	trans	-55.9	-41.7	172.6	-68.5	177.5	-163.8	-170.1	-1.2	110.7	M532 C533 Q535 S536 L544	M532-R540 PolarHBondContact O-NE 3.31Å; M532-R540 PolarHBondContact O-NH2 3.07Å; C533-R540 PolarHBondContact O-NH2 3.12Å; Q535-R540 HydrophobicContact CB-CG 3.81Å; Q535-R540 PolarHBondContact O-NE 3.33Å; Q535-R540 PolarHBondContact O-NH2 3.39Å; S536-R540 WeakPolarHBondContact O-CG 3.16Å; S536-R540 PolarHBondContact O-N 3.33Å; R540-L544 WeakPolarHBondContact O-CB 3.41Å; R540-L544 WeakPolarHBondContact O-CD1 3.28Å; R540-L544 WeakPolarHBondContact O-CG 3.46Å; R540-L544 PolarHBondContact O-N 3.12Å; R540-L544 VanDerWaalsContact O-N 3.07Å
541	K	51.6	Low	50.5	Low	123 Å²	123	81.6 Å²	81.6	54%	0.535	42%	0.416	S	S	.	.	H	α-helix	trans	-69	-41	178.9	-163.4	178.7	179.1	-175.5	0	111.9	K537 A538 E539 L544 D545	K537-K541 PolarHBondContact O-N 3.31Å; A538-K541 WeakPolarHBondContact O-CB 3.48Å; A538-K541 PolarHBondContact O-N 3.18Å; A538-K541 VanDerWaalsContact O-N 3.15Å; E539-K541 PolarHBondContact O-N 3.5Å; K541-L544 CarbonylContact O-C 3.59Å; K541-L544 WeakPolarHBondContact O-CB 3.48Å; K541-L544 PolarHBondContact O-N 2.93Å; K541-D545 WeakPolarHBondContact O-CB 3.46Å; K541-D545 PolarHBondContact O-N 3.33Å
542	Q	49.1	Very low	49.9	Very low	147 Å²	147	81.5 Å²	81.5	69%	0.687	41%	0.411	S	S	*	.	H	α-helix	trans	-65.2	-39.2	174.8	-84.3	-178.7	-15.2	0	0	113.1	A538 E539 L544 D545 G546	A538-Q542 PolarHBondContact O-N 3.49Å; E539-Q542 PolarHBondContact O-N 3.42Å; Q542-L544 VanDerWaalsContact C-N 3.27Å; Q542-L544 PolarHBondContact O-N 3.11Å; Q542-D545 PolarHBondContact O-N 3.42Å; Q542-G546 WeakPolarHBondContact O-CA 3.34Å; Q542-G546 PolarHBondContact O-N 2.8Å
543	L	50	Low	49.4	Very low	84 Å²	84	81 Å²	81	44%	0.44	41%	0.411	S	S	.	.	H	α-helix	trans	-67.2	-30.1	174	-82.5	156.1	0	0	0	112.8	Q535 E539	Q535-L543 HydrophobicContact CG-CD1 4.41Å; E539-L543 PolarHBondContact O-N 3.39Å
544	L	48.2	Very low	48.8	Very low	58 Å²	58	79 Å²	79	30%	0.304	40%	0.397	S	S	.	.	H	α-helix	trans	-75.9	-38.6	173.1	-73.7	160	0	0	0	112.6	R540 K541 Q542 I548 A558 L562	R540-L544 WeakPolarHBondContact O-CB 3.41Å; R540-L544 WeakPolarHBondContact O-CD1 3.28Å; R540-L544 WeakPolarHBondContact O-CG 3.46Å; R540-L544 PolarHBondContact O-N 3.12Å; R540-L544 VanDerWaalsContact O-N 3.07Å; K541-L544 CarbonylContact O-C 3.59Å; K541-L544 WeakPolarHBondContact O-CB 3.48Å; K541-L544 PolarHBondContact O-N 2.93Å; Q542-L544 VanDerWaalsContact C-N 3.27Å; Q542-L544 PolarHBondContact O-N 3.11Å; L544-I548 HydrophobicContact CB-CD1 4.11Å; L544-I548 HydrophobicContact CD2-CD1 3.58Å; L544-I548 HydrophobicContact CG-CD1 4.39Å; L544-I548 WeakPolarHBondContact O-CB 3.49Å; L544-I548 WeakPolarHBondContact O-CD1 3.41Å; L544-I548 WeakPolarHBondContact O-CG1 3.37Å; L544-A558 HydrophobicContact CD2-CB 4.35Å; L544-L562 HydrophobicContact CD1-CD1 3.61Å; L544-L562 HydrophobicContact CD2-CD1 3.57Å; L544-L562 HydrophobicContact CG-CD1 4Å
545	D	42.1	Very low	48.6	Very low	124 Å²	124	79 Å²	79	66%	0.663	39%	0.394	S	S	*	.	H	α-helix	trans	-87.4	-29.2	-176.6	-91.3	-22.4	0	0	0	113.5	K541 Q542	K541-D545 WeakPolarHBondContact O-CB 3.46Å; K541-D545 PolarHBondContact O-N 3.33Å; Q542-D545 PolarHBondContact O-N 3.42Å
546	G	41	Very low	48.3	Very low	62 Å²	62	80.2 Å²	80.2	64%	0.639	40%	0.397	S	S	*	.	H	α-helix	trans	-97.6	-11.2	-167.7	0	0	0	0	0	116.5	Q542	Q542-G546 WeakPolarHBondContact O-CA 3.34Å; Q542-G546 PolarHBondContact O-N 2.8Å
547	S	38.7	Very low	48	Very low	42 Å²	42	79.2 Å²	79.2	29%	0.294	39%	0.387	S	S	.	.	S	Bend	trans	-147.3	11.8	-172.1	-41.5	0	0	0	0	113.4	S549 W586	S547-S549 PolarHBondContact O-N 3.32Å; S547-W586 VanDerWaalsContact O-CE3 3.28Å
548	I	40.4	Very low	47.5	Very low	36 Å²	36	70.5 Å²	70.5	19%	0.185	35%	0.35	C	S	.	.			trans	-87.7	111.5	176.2	-69.3	-170.6	0	0	0	108.7	L544 R555 A558 W586	L544-I548 HydrophobicContact CB-CD1 4.11Å; L544-I548 HydrophobicContact CD2-CD1 3.58Å; L544-I548 HydrophobicContact CG-CD1 4.39Å; L544-I548 WeakPolarHBondContact O-CB 3.49Å; L544-I548 WeakPolarHBondContact O-CD1 3.41Å; L544-I548 WeakPolarHBondContact O-CG1 3.37Å; I548-R555 HydrophobicContact CB-CG 4.43Å; I548-R555 HydrophobicContact CD1-CG 4.39Å; I548-R555 HydrophobicContact CG2-CB 4.22Å; I548-R555 HydrophobicContact CG2-CG 3.03Å; I548-A558 HydrophobicContact CD1-CB 4.24Å; I548-W586 HydrophobicContact CB-CE3 4.45Å; I548-W586 HydrophobicContact CB-CZ3 4.04Å; I548-W586 HydrophobicContact CG1-CE3 4.44Å; I548-W586 HydrophobicContact CG1-CZ3 4.4Å; I548-W586 HydrophobicContact CG2-CZ3 3.81Å
549	S	41	Very low	47.5	Very low	11 Å²	11	71 Å²	71	8%	0.077	34%	0.338	C	S	.	.			trans	-45.9	147.5	167.8	120.1	0	0	0	0	113.1	S547 R551 E554 W586	S547-S549 PolarHBondContact O-N 3.32Å; S549-R551 PolarHBondContact O-N 2.97Å; S549-R551 WeakPolarHBondContact OG-CB 3.34Å; S549-R551 WeakPolarHBondContact OG-CG 3.44Å; S549-R551 PolarHBondContact OG-N 3.05Å; S549-E554 PolarHBondContact OG-OE2 2.97Å; S549-W586 VanDerWaalsContact OG-CH2 3.31Å; S549-W586 WeakPolarHBondContact OG-CH2 3.31Å
550	R	43.6	Very low	47.4	Very low	208 Å²	208	72 Å²	72	79%	0.785	34%	0.341	S	S	*	.	S	Bend	trans	-60	-6.2	176.8	-63.1	-177.4	175.9	-175.2	-0.4	113
551	R	41.3	Very low	47.2	Very low	74 Å²	74	70.1 Å²	70.1	28%	0.279	34%	0.336	S	S	.	.			trans	-89.3	139.6	-179.6	-49.1	173.2	169.5	175.8	-3.8	111.9	Q393 S549 E554	Q393-R551 VanDerWaalsContact CD-NH1 3.31Å; S549-R551 PolarHBondContact O-N 2.97Å; S549-R551 WeakPolarHBondContact OG-CB 3.34Å; S549-R551 WeakPolarHBondContact OG-CG 3.44Å; S549-R551 PolarHBondContact OG-N 3.05Å; R551-E554 VanDerWaalsContact CB-OE2 3.3Å; R551-E554 WeakPolarHBondContact CB-OE2 3.27Å
552	R	48.8	Very low	47.3	Very low	59 Å²	59	65.6 Å²	65.6	22%	0.223	32%	0.317	C	S	.	.	H	α-helix	trans	-74.5	-34.9	-162	-164.1	178.6	-172.5	-160.9	-0.2	114.7	E262 N264 E554 R556	E262-R552 VanDerWaalsContact O-CZ 3.3Å; E262-R552 PolarHBondContact O-NH1 3.1Å; E262-R552 PolarHBondContact O-NH2 3.23Å; E262-R552 IonicContact OE2-NH1 2.7Å; N264-R552 PolarHBondContact OD1-NE 2.65Å; N264-R552 PolarHBondContact OD1-NH2 3.24Å; R552-E554 PolarHBondContact O-N 2.88Å; R552-R556 PolarHBondContact O-N 3.17Å
553	G	44.9	Very low	47.6	Very low	8 Å²	8	64.2 Å²	64.2	8%	0.082	31%	0.309	C	S	.	.	H	α-helix	trans	-66.3	-24.5	-176.8	0	0	0	0	0	113.2	R556 L557	G553-R556 WeakPolarHBondContact O-CB 2.86Å; G553-L557 PolarHBondContact O-N 2.97Å
554	E	47.8	Very low	47.9	Very low	10 Å²	10	63.6 Å²	63.6	5%	0.047	31%	0.306	C	S	.	.	H	α-helix	trans	-94.3	-33.9	-170.3	-59.1	153.9	149.8	0	0	111.8	P466 S549 R551 R552 R556 L557 A558 W586 P588	P466-E554 HydrophobicContact CB-CG 4.48Å; S549-E554 PolarHBondContact OG-OE2 2.97Å; R551-E554 VanDerWaalsContact CB-OE2 3.3Å; R551-E554 WeakPolarHBondContact CB-OE2 3.27Å; R552-E554 PolarHBondContact O-N 2.88Å; E554-R556 PolarHBondContact O-N 3.16Å; E554-L557 PolarHBondContact O-N 3.24Å; E554-A558 PolarHBondContact O-N 3.01Å; E554-W586 HydrophobicContact CB-CH2 2.92Å; E554-W586 HydrophobicContact CB-CZ2 2.94Å; E554-W586 HydrophobicContact CB-CZ3 3.74Å; E554-W586 HydrophobicContact CG-CH2 3.58Å; E554-W586 HydrophobicContact CG-CZ2 3.14Å; E554-W586 WeakPolarHBondContact OE1-CZ2 3.23Å; E554-W586 WeakPolarHBondContact OE2-CH2 3.35Å; E554-W586 WeakPolarHBondContact OE2-CZ2 3.31Å; E554-P588 WeakPolarHBondContact OE2-CG 3.15Å
555	R	50.2	Low	48.1	Very low	113 Å²	113	61 Å²	61	43%	0.426	29%	0.293	S	S	.	.	H	α-helix	trans	-50.1	-44.3	159.5	-81.1	-177.4	81.4	143.6	-1.9	112	I548 A558 Y559	I548-R555 HydrophobicContact CB-CG 4.43Å; I548-R555 HydrophobicContact CD1-CG 4.39Å; I548-R555 HydrophobicContact CG2-CB 4.22Å; I548-R555 HydrophobicContact CG2-CG 3.03Å; R555-A558 PolarHBondContact O-N 2.66Å; R555-Y559 WeakPolarHBondContact O-CB 3.29Å; R555-Y559 PolarHBondContact O-N 2.84Å
556	R	50.3	Low	48.5	Very low	61 Å²	61	60.1 Å²	60.1	23%	0.23	29%	0.288	C	S	.	.	H	α-helix	trans	-64.8	-42.7	179.5	-77.4	-178.9	171.6	151.7	1.4	111.9	E262 V263 R552 G553 E554 Y559 K560	E262-R556 VanDerWaalsContact CB-NH2 3.34Å; E262-R556 IonicContact OE1-NH1 3.94Å; E262-R556 IonicContact OE2-CZ 3.78Å; E262-R556 IonicContact OE2-NH1 2.89Å; E262-R556 PolarHBondContact OE2-NH1 2.96Å; E262-R556 IonicContact OE2-NH2 3.58Å; V263-R556 PolarHBondContact O-NH2 3.27Å; R552-R556 PolarHBondContact O-N 3.17Å; G553-R556 WeakPolarHBondContact O-CB 2.86Å; E554-R556 PolarHBondContact O-N 3.16Å; R556-Y559 PolarHBondContact O-N 3.36Å; R556-K560 WeakPolarHBondContact O-CB 3.47Å; R556-K560 PolarHBondContact O-N 3.5Å
557	L	50.4	Low	49.1	Very low	37 Å²	37	65.2 Å²	65.2	19%	0.194	29%	0.293	C	S	.	.	H	α-helix	trans	-62.5	-48.6	177.6	-172.8	73.7	0	0	0	110.5	P497 W524 G553 E554 Y559 K560 V561	P497-L557 VanDerWaalsContact C-CD2 3.46Å; P497-L557 HydrophobicContact CB-CD2 3.15Å; P497-L557 WeakPolarHBondContact O-CD1 3.45Å; P497-L557 WeakPolarHBondContact O-CD2 2.89Å; W524-L557 HydrophobicContact CH2-CD2 4.45Å; G553-L557 PolarHBondContact O-N 2.97Å; E554-L557 PolarHBondContact O-N 3.24Å; L557-Y559 VanDerWaalsContact C-N 3.31Å; L557-Y559 PolarHBondContact O-N 3.12Å; L557-K560 PolarHBondContact O-N 3.03Å; L557-K560 VanDerWaalsContact O-N 3.16Å; L557-V561 WeakPolarHBondContact O-CG2 3.42Å; L557-V561 PolarHBondContact O-N 3.18Å; L557-V561 VanDerWaalsContact O-N 3.07Å
558	A	50.2	Low	49.5	Very low	8 Å²	8	69.5 Å²	69.5	7%	0.066	31%	0.308	C	S	.	.	H	α-helix	trans	-56.2	-45.9	175.9	0	0	0	0	0	112.3	R528 L544 I548 E554 R555 V561 L562	R528-A558 VanDerWaalsContact NH2-CA 3.32Å; L544-A558 HydrophobicContact CD2-CB 4.35Å; I548-A558 HydrophobicContact CD1-CB 4.24Å; E554-A558 PolarHBondContact O-N 3.01Å; R555-A558 PolarHBondContact O-N 2.66Å; A558-V561 PolarHBondContact O-N 3.01Å; A558-L562 WeakPolarHBondContact O-CG 3.4Å; A558-L562 PolarHBondContact O-N 2.9Å; A558-L562 VanDerWaalsContact O-N 3.12Å
559	Y	54	Low	49.5	Very low	78 Å²	78	75.6 Å²	75.6	31%	0.306	33%	0.333	S	S	.	.	H	α-helix	trans	-63.5	-41.5	176.9	-167.3	-79	0	0	0	112.9	N266 R555 R556 L557 V561 L562 K563	N266-Y559 HydrophobicContact CB-CD2 4.09Å; N266-Y559 HydrophobicContact CB-CE1 4.02Å; N266-Y559 HydrophobicContact CB-CE2 3.45Å; N266-Y559 VanDerWaalsContact CB-CE2 3.45Å; N266-Y559 VanDerWaalsContact CB-CZ 3.41Å; N266-Y559 VanDerWaalsContact CG-OH 3.27Å; N266-Y559 WeakPolarHBondContact ND2-CD1 3.34Å; N266-Y559 WeakPolarHBondContact ND2-CE1 3.35Å; N266-Y559 PolarHBondContact OD1-OH 3.35Å; R555-Y559 WeakPolarHBondContact O-CB 3.29Å; R555-Y559 PolarHBondContact O-N 2.84Å; R556-Y559 PolarHBondContact O-N 3.36Å; L557-Y559 VanDerWaalsContact C-N 3.31Å; L557-Y559 PolarHBondContact O-N 3.12Å; Y559-V561 VanDerWaalsContact C-N 3.31Å; Y559-V561 PolarHBondContact O-N 3.25Å; Y559-L562 PolarHBondContact O-N 3.14Å; Y559-L562 VanDerWaalsContact O-N 3.16Å; Y559-K563 HydrophobicContact CD1-CB 4.45Å; Y559-K563 HydrophobicContact CE1-CB 4.2Å; Y559-K563 HydrophobicContact CE1-CD 4.42Å; Y559-K563 PolarHBondContact O-N 2.98Å
560	K	55.3	Low	49.2	Very low	113 Å²	113	83 Å²	83	49%	0.491	37%	0.372	S	S	.	.	H	α-helix	trans	-61.5	-42.1	179.4	-171.6	-176.5	178.9	-165.7	0	111	R556 L557 L562 K563 N564	R556-K560 WeakPolarHBondContact O-CB 3.47Å; R556-K560 PolarHBondContact O-N 3.5Å; L557-K560 PolarHBondContact O-N 3.03Å; L557-K560 VanDerWaalsContact O-N 3.16Å; K560-L562 VanDerWaalsContact C-N 3.34Å; K560-K563 PolarHBondContact O-N 2.81Å; K560-N564 PolarHBondContact O-N 3.2Å
561	V	52.9	Low	49.2	Very low	17 Å²	17	77.9 Å²	77.9	10%	0.103	37%	0.374	C	S	.	.	H	α-helix	trans	-64.3	-41.5	175.9	-170.9	0	0	0	0	110	R528 V529 M532 L557 A558 Y559 K563 N564 C565	R528-V561 HydrophobicContact CG-CG1 4.15Å; V529-V561 HydrophobicContact CG2-CG1 3.81Å; M532-V561 HydrophobicContact CE-CB 3.49Å; M532-V561 VanDerWaalsContact CE-CB 3.49Å; M532-V561 HydrophobicContact CE-CG1 3.19Å; M532-V561 HydrophobicContact SD-CG1 4.49Å; L557-V561 WeakPolarHBondContact O-CG2 3.42Å; L557-V561 PolarHBondContact O-N 3.18Å; L557-V561 VanDerWaalsContact O-N 3.07Å; A558-V561 PolarHBondContact O-N 3.01Å; Y559-V561 VanDerWaalsContact C-N 3.31Å; Y559-V561 PolarHBondContact O-N 3.25Å; V561-K563 PolarHBondContact O-N 3.28Å; V561-N564 PolarHBondContact O-N 2.84Å; V561-C565 PolarHBondContact O-N 3.17Å; V561-C565 PolarHBondContact O-SG 3.16Å
562	L	52.8	Low	48.9	Very low	27 Å²	27	83 Å²	83	14%	0.141	40%	0.401	C	S	.	.	H	α-helix	trans	-65.4	-39.3	178.1	-74	163.7	0	0	0	113.4	M532 L544 A558 Y559 K560 N564 C565 N566	M532-L562 HydrophobicContact CB-CD2 4.23Å; M532-L562 HydrophobicContact CE-CB 4.22Å; M532-L562 HydrophobicContact CE-CD2 3.64Å; M532-L562 HydrophobicContact CE-CG 3.6Å; M532-L562 VanDerWaalsContact CE-N 3.32Å; M532-L562 HydrophobicContact CG-CD2 4.39Å; M532-L562 HydrophobicContact SD-CD2 3.54Å; M532-L562 VanDerWaalsContact SD-CD2 3.54Å; M532-L562 HydrophobicContact SD-CG 3.65Å; L544-L562 HydrophobicContact CD1-CD1 3.61Å; L544-L562 HydrophobicContact CD2-CD1 3.57Å; L544-L562 HydrophobicContact CG-CD1 4Å; A558-L562 WeakPolarHBondContact O-CG 3.4Å; A558-L562 PolarHBondContact O-N 2.9Å; A558-L562 VanDerWaalsContact O-N 3.12Å; Y559-L562 PolarHBondContact O-N 3.14Å; Y559-L562 VanDerWaalsContact O-N 3.16Å; K560-L562 VanDerWaalsContact C-N 3.34Å; L562-N564 VanDerWaalsContact C-N 3.27Å; L562-N564 PolarHBondContact O-N 3.1Å; L562-C565 PolarHBondContact O-N 3.39Å; L562-N566 PolarHBondContact O-N 3.42Å
563	K	56.2	Low	48.3	Very low	118 Å²	118	87.3 Å²	87.3	51%	0.513	43%	0.429	S	S	.	.	H	α-helix	trans	-63	-36.6	176.9	-173	177.4	-178.4	175.8	0	111.4	Y559 K560 V561	Y559-K563 HydrophobicContact CD1-CB 4.45Å; Y559-K563 HydrophobicContact CE1-CB 4.2Å; Y559-K563 HydrophobicContact CE1-CD 4.42Å; Y559-K563 PolarHBondContact O-N 2.98Å; K560-K563 PolarHBondContact O-N 2.81Å; V561-K563 PolarHBondContact O-N 3.28Å
564	N	56.3	Low	48	Very low	72 Å²	72	92.2 Å²	92.2	39%	0.385	45%	0.452	S	S	.	.	H	α-helix	trans	-72.4	-39.8	177.2	-71	0.2	0	0	0	111.5	K560 V561 L562 N566 K567 E568	K560-N564 PolarHBondContact O-N 3.2Å; V561-N564 PolarHBondContact O-N 2.84Å; L562-N564 VanDerWaalsContact C-N 3.27Å; L562-N564 PolarHBondContact O-N 3.1Å; N564-N566 PolarHBondContact O-N 3.26Å; N564-K567 PolarHBondContact O-N 3.1Å; N564-E568 PolarHBondContact O-N 2.94Å
565	C	52.4	Low	47.4	Very low	4 Å²	4	98.8 Å²	98.8	3%	0.027	49%	0.488	C	S	.	.	H	α-helix	trans	-55.8	-35.5	173.3	-66.5	0	0	0	0	113.1	V561 L562 K567 E568	V561-C565 PolarHBondContact O-N 3.17Å; V561-C565 PolarHBondContact O-SG 3.16Å; L562-C565 PolarHBondContact O-N 3.39Å; C565-K567 PolarHBondContact O-N 3.03Å; C565-E568 PolarHBondContact O-N 3.08Å
566	N	50.3	Low	47	Very low	105 Å²	105	96.7 Å²	96.7	56%	0.561	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-15.7	178.8	-76.4	-15	0	0	0	113.9	L562 N564	L562-N566 PolarHBondContact O-N 3.42Å; N564-N566 PolarHBondContact O-N 3.26Å
567	K	52.5	Low	46.2	Very low	168 Å²	168	102.9 Å²	102.9	73%	0.73	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-21.2	175	-70	-173.5	172.2	-168.6	0	113	N564 C565	N564-K567 PolarHBondContact O-N 3.1Å; C565-K567 PolarHBondContact O-N 3.03Å
568	E	48.3	Very low	45.6	Very low	132 Å²	132	105.5 Å²	105.5	62%	0.617	53%	0.529	S	S	*	.			trans	-113.4	65.8	-177.2	-68.9	172	-178.1	0	0	109.4	N564 C565 N570	N564-E568 PolarHBondContact O-N 2.94Å; C565-E568 PolarHBondContact O-N 3.08Å; E568-N570 PolarHBondContact O-N 3.19Å
569	K	39.1	Very low	45	Very low	165 Å²	165	112.3 Å²	112.3	72%	0.717	56%	0.558	S	S	*	*			trans	-91.3	85.9	165.9	-70.1	-175.3	-178.6	178.9	0	107.4
570	N	36.2	Very low	44.2	Very low	167 Å²	167	113.4 Å²	113.4	89%	0.893	58%	0.577	S	S	*	*			trans	178	85	159.6	-86.6	-13.8	0	0	0	108.5	E568	E568-N570 PolarHBondContact O-N 3.19Å
571	A	42.7	Very low	43.2	Very low	100 Å²	100	111.8 Å²	111.8	83%	0.826	58%	0.58	S	S	*	*			trans	-167	106	160.2	0	0	0	0	0	109.3
572	E	36	Very low	42.2	Very low	180 Å²	180	120.2 Å²	120.2	84%	0.841	61%	0.609	S	S	*	*			trans	-90.1	154	175.7	-70.7	-179.2	158.5	0	0	111.7
573	N	34.6	Very low	41.2	Very low	151 Å²	151	123.4 Å²	123.4	81%	0.807	62%	0.623	S	S	*	*			trans	65.4	97.3	160.6	-63.5	-19.5	0	0	0	119.9
574	I	38.6	Very low	40.2	Very low	110 Å²	110	128.6 Å²	128.6	56%	0.564	64%	0.639	S	S	*	*			trans	-138.8	126.8	151.2	-60.3	178	0	0	0	107.8	K534	K534-I574 PolarHBondContact NZ-O 2.65Å
575	D	36.9	Very low	39.3	Very low	149 Å²	149	129.4 Å²	129.4	80%	0.797	65%	0.648	S	S	*	*			trans	-75.9	138.7	179.2	-150.2	-9.3	0	0	0	111.3
576	I	40	Very low	38.6	Very low	69 Å²	69	131.9 Å²	131.9	35%	0.354	66%	0.657	S	S	.	*			trans	-139.8	91.5	-178.2	-53.4	176.8	0	0	0	110.3	K579	I576-K579 VanDerWaalsContact O-CE 3.31Å; I576-K579 WeakPolarHBondContact O-CE 3.45Å
577	H	34.5	Very low	38.3	Very low	190 Å²	190	132.2 Å²	132.2	88%	0.88	66%	0.659	S	S	*	*			trans	-98.5	68.9	166.5	-126.3	-74.1	0	0	0	109.6
578	D	38.2	Very low	38.1	Very low	93 Å²	93	124.7 Å²	124.7	50%	0.497	63%	0.627	S	S	.	*			trans	-168.5	80.8	155.3	-158.1	6.2	0	0	0	109.6
579	K	37.2	Very low	38.1	Very low	151 Å²	151	124.8 Å²	124.8	66%	0.657	63%	0.627	S	S	*	*			trans	-99.9	6.7	-161.9	-76.3	-178.3	-178.4	169.9	0	115.7	I576 F583	I576-K579 VanDerWaalsContact O-CE 3.31Å; I576-K579 WeakPolarHBondContact O-CE 3.45Å; K579-F583 VanDerWaalsContact C-CD2 3.45Å; K579-F583 HydrophobicContact CB-CE2 4.16Å; K579-F583 HydrophobicContact CG-CE2 4.43Å; K579-F583 WeakPolarHBondContact O-CD2 3.43Å; K579-F583 WeakPolarHBondContact O-CE2 3.49Å
580	S	36.9	Very low	39.3	Very low	101 Å²	101	118.5 Å²	118.5	71%	0.706	60%	0.599	S	S	*	*	S	Bend	trans	-121.8	-28.3	-166.3	57.4	0	0	0	0	116.6
581	S	34.1	Very low	40.6	Very low	79 Å²	79	112.4 Å²	112.4	55%	0.552	58%	0.575	S	S	*	*	S	Bend	trans	-92.5	-22.4	-176.8	68	0	0	0	0	114.3
582	W	32.9	Very low	42.1	Very low	193 Å²	193	114.6 Å²	114.6	73%	0.731	56%	0.562	S	S	*	*	S	Bend	trans	-91	-9.2	-176.6	-57.4	89.5	0	0	0	113.7	R584	W582-R584 PolarHBondContact O-N 3.36Å
583	F	32.1	Very low	44.1	Very low	95 Å²	95	106.1 Å²	106.1	42%	0.417	52%	0.522	S	S	.	.			trans	-91.5	71.5	-179.5	-74	-101.9	0	0	0	110.1	L531 K579 P585	L531-F583 HydrophobicContact CD2-CE1 4.25Å; L531-F583 HydrophobicContact CD2-CZ 3.88Å; K579-F583 VanDerWaalsContact C-CD2 3.45Å; K579-F583 HydrophobicContact CB-CE2 4.16Å; K579-F583 HydrophobicContact CG-CE2 4.43Å; K579-F583 WeakPolarHBondContact O-CD2 3.43Å; K579-F583 WeakPolarHBondContact O-CE2 3.49Å; F583-P585 VanDerWaalsContact O-CD 3.29Å; F583-P585 WeakPolarHBondContact O-CD 3.42Å
584	R	34.6	Very low	46.1	Very low	227 Å²	227	100.5 Å²	100.5	86%	0.857	50%	0.495	S	S	*	.			trans	-81.3	116.2	161	-71.6	-167.3	-173.3	-131	2.9	108.2	W582 W586	W582-R584 PolarHBondContact O-N 3.36Å; R584-W586 PolarHBondContact O-N 2.84Å
585	P	37.3	Very low	48	Very low	88 Å²	88	100.3 Å²	100.3	57%	0.571	49%	0.492	S	S	*	.			trans	-49.4	130.9	164.7	-20.3	30.7	0	0	0	106.9	F583 N587	F583-P585 VanDerWaalsContact O-CD 3.29Å; F583-P585 WeakPolarHBondContact O-CD 3.42Å; P585-N587 WeakPolarHBondContact O-CB 3.44Å; P585-N587 PolarHBondContact O-N 3.19Å
586	W	37.9	Very low	49.9	Very low	57 Å²	57	94.1 Å²	94.1	22%	0.216	46%	0.46	C	S	.	.			trans	-61.3	103.6	-178.3	171.7	70	0	0	0	108.6	S547 I548 S549 E554 R584 P588	S547-W586 VanDerWaalsContact O-CE3 3.28Å; I548-W586 HydrophobicContact CB-CE3 4.45Å; I548-W586 HydrophobicContact CB-CZ3 4.04Å; I548-W586 HydrophobicContact CG1-CE3 4.44Å; I548-W586 HydrophobicContact CG1-CZ3 4.4Å; I548-W586 HydrophobicContact CG2-CZ3 3.81Å; S549-W586 VanDerWaalsContact OG-CH2 3.31Å; S549-W586 WeakPolarHBondContact OG-CH2 3.31Å; E554-W586 HydrophobicContact CB-CH2 2.92Å; E554-W586 HydrophobicContact CB-CZ2 2.94Å; E554-W586 HydrophobicContact CB-CZ3 3.74Å; E554-W586 HydrophobicContact CG-CH2 3.58Å; E554-W586 HydrophobicContact CG-CZ2 3.14Å; E554-W586 WeakPolarHBondContact OE1-CZ2 3.23Å; E554-W586 WeakPolarHBondContact OE2-CH2 3.35Å; E554-W586 WeakPolarHBondContact OE2-CZ2 3.31Å; R584-W586 PolarHBondContact O-N 2.84Å; W586-P588 HydrophobicContact CD2-CG 4.23Å; W586-P588 VanDerWaalsContact CE2-CG 3.49Å; W586-P588 HydrophobicContact CH2-CG 3.36Å; W586-P588 HydrophobicContact CZ2-CB 4.06Å; W586-P588 HydrophobicContact CZ2-CG 2.86Å; W586-P588 HydrophobicContact CZ3-CG 4.27Å
587	N	43.4	Very low	51.4	Low	112 Å²	112	95.5 Å²	95.5	60%	0.599	47%	0.473	S	S	*	.			trans	-120.8	99.5	-169.2	-172.1	5.6	0	0	0	111	P585 H589	P585-N587 WeakPolarHBondContact O-CB 3.44Å; P585-N587 PolarHBondContact O-N 3.19Å; N587-H589 VanDerWaalsContact C-N 3.33Å; N587-H589 PolarHBondContact OD1-N 3.02Å
588	P	49.1	Very low	53.2	Low	10 Å²	10	88.3 Å²	88.3	7%	0.065	45%	0.45	C	S	.	.			trans	-94.7	10.4	179.8	-11.2	34.2	0	0	0	113.2	E554 W586 R590	E554-P588 WeakPolarHBondContact OE2-CG 3.15Å; W586-P588 HydrophobicContact CD2-CG 4.23Å; W586-P588 VanDerWaalsContact CE2-CG 3.49Å; W586-P588 HydrophobicContact CH2-CG 3.36Å; W586-P588 HydrophobicContact CZ2-CB 4.06Å; W586-P588 HydrophobicContact CZ2-CG 2.86Å; W586-P588 HydrophobicContact CZ3-CG 4.27Å; P588-R590 PolarHBondContact O-N 3.46Å
589	H	47.9	Very low	54.5	Low	133 Å²	133	83.9 Å²	83.9	62%	0.616	43%	0.426	S	S	*	.			trans	-72.2	73.1	153.1	-63.5	-53.7	0	0	0	106.8	N587 G591	N587-H589 VanDerWaalsContact C-N 3.33Å; N587-H589 PolarHBondContact OD1-N 3.02Å; H589-G591 PolarHBondContact O-N 3.16Å; H589-G591 VanDerWaalsContact O-N 3.1Å
590	R	64	Low	56.2	Low	33 Å²	33	79.3 Å²	79.3	13%	0.125	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-54.6	118	156.7	-66.8	-179.1	173.4	-122	-21	104.4	E369 K372 D463 D495 P588	E369-R590 VanDerWaalsContact CD-NH1 3.27Å; E369-R590 IonicContact OE1-CZ 3.62Å; E369-R590 IonicContact OE1-NE 3.61Å; E369-R590 IonicContact OE1-NH1 2.78Å; E369-R590 PolarHBondContact OE1-NH1 3.42Å; E369-R590 IonicContact OE1-NH2 3.42Å; E369-R590 PolarHBondContact OE1-NH2 2.88Å; E369-R590 IonicContact OE2-CZ 3.5Å; E369-R590 IonicContact OE2-NH1 3.99Å; E369-R590 PolarHBondContact OE2-NH1 2.72Å; E369-R590 VanDerWaalsContact OE2-NH1 3.15Å; K372-R590 VanDerWaalsContact CE-NH1 3.32Å; D463-R590 WeakPolarHBondContact OD1-CD 3.46Å; D463-R590 IonicContact OD1-CZ 3.58Å; D463-R590 IonicContact OD1-NE 3.95Å; D463-R590 IonicContact OD1-NH1 2.78Å; D463-R590 PolarHBondContact OD1-NH1 3Å; D495-R590 IonicContact OD1-CZ 2.65Å; D495-R590 IonicContact OD1-NH2 3.05Å; D495-R590 PolarHBondContact OD1-NH2 3.31Å; D495-R590 IonicContact OD2-CZ 3.82Å; D495-R590 IonicContact OD2-NH2 3.62Å; D495-R590 PolarHBondContact OD2-NH2 2.8Å; P588-R590 PolarHBondContact O-N 3.46Å
591	G	63.7	Low	57.5	Low	39 Å²	39	75.7 Å²	75.7	40%	0.402	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-54.9	171.7	-179.4	0	0	0	0	0	111.4	R397 H589 I593	R397-G591 PolarHBondContact NH1-O 2.96Å; R397-G591 VanDerWaalsContact NH1-O 3.1Å; H589-G591 PolarHBondContact O-N 3.16Å; H589-G591 VanDerWaalsContact O-N 3.1Å; G591-I593 PolarHBondContact O-N 3.04Å
592	R	74.4	Confident	58.7	Low	147 Å²	147	77 Å²	77	56%	0.555	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-60.8	138.6	173.3	-66.7	-174.2	178.8	-170.6	0.3	108.7	E400 S594 E595	E400-R592 VanDerWaalsContact OE1-CB 3.23Å; E400-R592 WeakPolarHBondContact OE1-CB 3.31Å; E400-R592 WeakPolarHBondContact OE1-CD 3.34Å; E400-R592 VanDerWaalsContact OE1-CG 3.31Å; E400-R592 WeakPolarHBondContact OE1-CG 3.14Å; E400-R592 WeakPolarHBondContact OE2-CA 3.44Å; R592-S594 WeakPolarHBondContact CB-OG 3.32Å; R592-S594 PolarHBondContact O-N 2.96Å; R592-E595 HydrophobicContact CB-CB 4.38Å; R592-E595 HydrophobicContact CB-CG 3.92Å; R592-E595 PolarHBondContact N-OE2 3.46Å; R592-E595 VanDerWaalsContact N-OE2 3.16Å; R592-E595 WeakPolarHBondContact O-CA 3.45Å; R592-E595 VanDerWaalsContact O-CB 3.31Å; R592-E595 WeakPolarHBondContact O-CB 3.46Å; R592-E595 PolarHBondContact O-N 2.72Å
593	I	78	Confident	59.9	Low	1 Å²	1	76.2 Å²	76.2	1%	0.005	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-60.2	-33	173.5	-65.6	174.3	0	0	0	109.7	L373 M392 R397 E400 I401 Y462 G591 E595 V596 A599	L373-I593 HydrophobicContact CD1-CG2 4.14Å; L373-I593 HydrophobicContact CD2-CG2 4.16Å; M392-I593 HydrophobicContact CE-CD1 3.64Å; R397-I593 HydrophobicContact CB-CD1 3.96Å; R397-I593 HydrophobicContact CG-CD1 4.33Å; R397-I593 HydrophobicContact CG-CG1 4.38Å; E400-I593 HydrophobicContact CB-CB 3.9Å; E400-I593 WeakPolarHBondContact OE2-CB 3.39Å; E400-I593 PolarHBondContact OE2-N 3.5Å; I401-I593 HydrophobicContact CD1-CD1 3.79Å; I401-I593 HydrophobicContact CD1-CG2 4.3Å; I401-I593 HydrophobicContact CG1-CD1 3.46Å; I401-I593 VanDerWaalsContact CG1-CD1 3.46Å; Y462-I593 HydrophobicContact CE1-CD1 4.16Å; G591-I593 PolarHBondContact O-N 3.04Å; I593-E595 PolarHBondContact O-N 3.27Å; I593-V596 WeakPolarHBondContact O-CB 3.12Å; I593-V596 WeakPolarHBondContact O-CG2 3.01Å; I593-V596 PolarHBondContact O-N 3.21Å; I593-V596 VanDerWaalsContact O-N 3.08Å; I593-A599 WeakPolarHBondContact O-CB 3.26Å
594	S	76.8	Confident	61	Low	33 Å²	33	80 Å²	80	23%	0.231	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-61.8	-21.8	171.1	63.9	0	0	0	0	113.5	R592 V596 K602	R592-S594 WeakPolarHBondContact CB-OG 3.32Å; R592-S594 PolarHBondContact O-N 2.96Å; S594-V596 VanDerWaalsContact C-N 3.34Å; S594-K602 WeakPolarHBondContact O-CD 3.46Å; S594-K602 WeakPolarHBondContact O-CE 2.96Å; S594-K602 WeakPolarHBondContact O-CG 3.31Å
595	E	77.9	Confident	61.6	Low	107 Å²	107	78.5 Å²	78.5	50%	0.5	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-83.1	-14.4	177.7	-69.8	159.8	-172.6	0	0	112.4	R592 I593 K602	R592-E595 HydrophobicContact CB-CB 4.38Å; R592-E595 HydrophobicContact CB-CG 3.92Å; R592-E595 PolarHBondContact N-OE2 3.46Å; R592-E595 VanDerWaalsContact N-OE2 3.16Å; R592-E595 WeakPolarHBondContact O-CA 3.45Å; R592-E595 VanDerWaalsContact O-CB 3.31Å; R592-E595 WeakPolarHBondContact O-CB 3.46Å; R592-E595 PolarHBondContact O-N 2.72Å; I593-E595 PolarHBondContact O-N 3.27Å; E595-K602 VanDerWaalsContact C-NZ 3.29Å; E595-K602 PolarHBondContact O-NZ 2.86Å
596	V	77.1	Confident	61.7	Low	19 Å²	19	81.6 Å²	81.6	12%	0.115	40%	0.402	C	S	.	.	S	Bend	trans	-75.7	136	-176.1	-159.9	0	0	0	0	110.4	Q370 I593 S594 G598 A599	Q370-V596 VanDerWaalsContact CA-CG1 3.49Å; Q370-V596 HydrophobicContact CB-CG1 3.44Å; Q370-V596 VanDerWaalsContact CB-CG1 3.44Å; Q370-V596 HydrophobicContact CG-CG1 4.08Å; I593-V596 WeakPolarHBondContact O-CB 3.12Å; I593-V596 WeakPolarHBondContact O-CG2 3.01Å; I593-V596 PolarHBondContact O-N 3.21Å; I593-V596 VanDerWaalsContact O-N 3.08Å; S594-V596 VanDerWaalsContact C-N 3.34Å; V596-G598 PolarHBondContact O-N 3.29Å; V596-A599 PolarHBondContact O-N 2.8Å
597	P	72.5	Confident	61.3	Low	98 Å²	98	85.6 Å²	85.6	64%	0.636	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	119.9	-178.6	-26.3	34.9	0	0	0	112.5	Q370	Q370-P597 PolarHBondContact NE2-O 3.48Å; Q370-P597 PolarHBondContact OE1-O 3.16Å
598	G	70.3	Confident	62.2	Low	38 Å²	38	84.3 Å²	84.3	39%	0.392	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.7	-0.9	179.2	0	0	0	0	0	115.4	R377 V596 L600	R377-G598 PolarHBondContact NH1-O 3.16Å; R377-G598 VanDerWaalsContact NH1-O 3.16Å; R377-G598 PolarHBondContact NH2-O 3.37Å; V596-G598 PolarHBondContact O-N 3.29Å; G598-L600 PolarHBondContact O-N 2.77Å
599	A	67.2	Low	62.9	Low	1 Å²	1	88.2 Å²	88.2	1%	0.008	48%	0.475	C	S	.	.			trans	-57	126.3	166.8	0	0	0	0	0	111	L373 I593 V596 S601 K602	L373-A599 HydrophobicContact CD2-CB 4.21Å; I593-A599 WeakPolarHBondContact O-CB 3.26Å; V596-A599 PolarHBondContact O-N 2.8Å; A599-S601 PolarHBondContact O-N 3.21Å; A599-K602 WeakPolarHBondContact O-CB 3.16Å; A599-K602 PolarHBondContact O-N 3.39Å
600	L	72.2	Confident	63.7	Low	55 Å²	55	85.7 Å²	85.7	29%	0.288	47%	0.467	S	S	.	.	H	α-helix	trans	-65.2	-33.2	179.9	-72.2	171.6	0	0	0	111	E404 L407 G598 K602 K603 R604	E404-L600 PolarHBondContact OE1-N 2.85Å; E404-L600 PolarHBondContact OE2-N 2.58Å; L407-L600 HydrophobicContact CB-CB 4.36Å; L407-L600 HydrophobicContact CB-CD1 4.01Å; L407-L600 HydrophobicContact CD1-CB 3.91Å; G598-L600 PolarHBondContact O-N 2.77Å; L600-K602 PolarHBondContact O-N 2.96Å; L600-K602 VanDerWaalsContact O-N 3.12Å; L600-K603 PolarHBondContact O-N 2.98Å; L600-R604 PolarHBondContact O-N 3.12Å
601	S	64.5	Low	63.7	Low	25 Å²	25	88.8 Å²	88.8	18%	0.175	49%	0.488	C	S	.	.	H	α-helix	trans	-57.1	-23.3	175.3	51.9	0	0	0	0	114.3	E404 A599	E404-S601 VanDerWaalsContact OE1-CB 3.32Å; E404-S601 WeakPolarHBondContact OE1-CB 3.38Å; E404-S601 PolarHBondContact OE1-N 2.91Å; E404-S601 PolarHBondContact OE1-OG 3.4Å; A599-S601 PolarHBondContact O-N 3.21Å
602	K	59.7	Low	63.7	Low	107 Å²	107	91.9 Å²	91.9	47%	0.465	49%	0.493	S	S	.	.	H	α-helix	trans	-76	-35.9	172.6	-107.7	174.6	175.7	178.3	0	113	S594 E595 A599 L600	S594-K602 WeakPolarHBondContact O-CD 3.46Å; S594-K602 WeakPolarHBondContact O-CE 2.96Å; S594-K602 WeakPolarHBondContact O-CG 3.31Å; E595-K602 VanDerWaalsContact C-NZ 3.29Å; E595-K602 PolarHBondContact O-NZ 2.86Å; A599-K602 WeakPolarHBondContact O-CB 3.16Å; A599-K602 PolarHBondContact O-N 3.39Å; L600-K602 PolarHBondContact O-N 2.96Å; L600-K602 VanDerWaalsContact O-N 3.12Å
603	K	58.2	Low	63	Low	175 Å²	175	88.3 Å²	88.3	76%	0.761	49%	0.489	S	S	*	.	H	α-helix	trans	-76.5	-22	-175.2	-69.4	-172.2	176.2	-175.1	0	113.1	L600	L600-K603 PolarHBondContact O-N 2.98Å
604	R	54	Low	61.9	Low	174 Å²	174	94.5 Å²	94.5	66%	0.657	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	44.9	177.4	-79.6	-175.6	164.3	176.3	-3.8	112.6	L600 I606	L600-R604 PolarHBondContact O-N 3.12Å; R604-I606 WeakPolarHBondContact O-CG1 3.35Å; R604-I606 PolarHBondContact O-N 2.78Å
605	K	46.7	Very low	60.8	Low	196 Å²	196	99.2 Å²	99.2	85%	0.852	55%	0.546	S	S	*	.			trans	-66.7	87.9	157.1	-87.7	-170.7	176.3	-177.5	0	107.2
606	I	40.2	Very low	59.4	Low	153 Å²	153	98.6 Å²	98.6	79%	0.785	55%	0.55	S	S	*	.			trans	-53	127	179.9	-70.1	147.9	0	0	0	109.1	R604	R604-I606 WeakPolarHBondContact O-CG1 3.35Å; R604-I606 PolarHBondContact O-N 2.78Å
607	G	29.8	Very low	57.8	Low	142 Å²	142	105.8 Å²	105.8	100%	1.464	59%	0.589	S	S	*	*			trans	-78.8	0	156.9	0	0	0	0	0	112

Retrieved 607 of 607 residues in 331.7 ms (Link to these results)

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