A0A077ZJG0_TRITR Loading...

Putative heat shock binding protein

AlphaFold DB , UniProt , Accession A0A077ZJG0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 759 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	37.1	Very low	34.1	Very low	247 Å²	247	127.8 Å²	127.8	100%	1.217	74%	0.741	S	S	*	*				0	114.1	0	-70.6	-177.3	169.6	0	0	107.5
2	G	35.2	Very low	33.6	Very low	53 Å²	53	123.6 Å²	123.6	55%	0.546	73%	0.732	S	S	.	*			trans	-80.1	165.7	-161.7	0	0	0	0	0	114.8	L4 A5	G2-L4 PolarHBondContact O-N 3.08Å; G2-A5 PolarHBondContact O-N 3.25Å
3	P	38.1	Very low	33.1	Very low	114 Å²	114	124.1 Å²	124.1	74%	0.74	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	6.1	-170.1	27.8	-33.7	0	0	0	115.3
4	L	39.7	Very low	32.7	Very low	146 Å²	146	121.4 Å²	121.4	76%	0.764	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-20.3	174.6	-72.4	166.6	0	0	0	113.2	G2 A6	G2-L4 PolarHBondContact O-N 3.08Å; L4-A6 VanDerWaalsContact C-N 3.31Å; L4-A6 PolarHBondContact O-N 3.17Å
5	A	38.4	Very low	32.8	Very low	77 Å²	77	121.5 Å²	121.5	64%	0.636	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-25.2	176.2	0	0	0	0	0	113	G2	G2-A5 PolarHBondContact O-N 3.25Å
6	A	34.4	Very low	32.9	Very low	69 Å²	69	118.9 Å²	118.9	57%	0.57	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-22.9	179.8	0	0	0	0	0	113.3	L4	L4-A6 VanDerWaalsContact C-N 3.31Å; L4-A6 PolarHBondContact O-N 3.17Å
7	L	33.3	Very low	33.5	Very low	117 Å²	117	119.5 Å²	119.5	61%	0.613	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-79.9	-22.1	179.2	-94	149.9	0	0	0	113.2	F9	L7-F9 VanDerWaalsContact C-N 3.31Å; L7-F9 PolarHBondContact O-N 3.24Å
8	S	32.2	Very low	35	Very low	97 Å²	97	118.4 Å²	118.4	68%	0.678	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-81.2	-9.3	179.1	-151.1	0	0	0	0	113.8
9	F	30.4	Very low	37	Very low	187 Å²	187	114.6 Å²	114.6	82%	0.82	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-93.2	-7.5	176.4	-121	-88.7	0	0	0	113.7	L7	L7-F9 VanDerWaalsContact C-N 3.31Å; L7-F9 PolarHBondContact O-N 3.24Å
10	L	28.5	Very low	38.9	Very low	150 Å²	150	109.8 Å²	109.8	79%	0.785	65%	0.653	S	S	*	*	S	Bend	trans	-96.4	6.1	-179.2	-78.5	167.5	0	0	0	114.1
11	L	27.4	Very low	41	Very low	149 Å²	149	105 Å²	105	78%	0.78	62%	0.624	S	S	*	*	S	Bend	trans	-103.3	110.8	172.1	-89.8	153.5	0	0	0	110.1
12	A	27.9	Very low	43.3	Very low	77 Å²	77	100.4 Å²	100.4	64%	0.636	60%	0.599	S	S	*	*			trans	65.3	64.9	157.5	0	0	0	0	0	117.3
13	V	27.9	Very low	45.6	Very low	130 Å²	130	99.1 Å²	99.1	79%	0.788	58%	0.581	S	S	*	*			trans	-96.9	51.8	133.9	-164.3	0	0	0	0	108.1	V15	V13-V15 VanDerWaalsContact C-N 3.29Å; V13-V15 PolarHBondContact O-N 3.18Å; V13-V15 VanDerWaalsContact O-N 3.11Å
14	S	26.8	Very low	47.9	Very low	86 Å²	86	93.7 Å²	93.7	60%	0.601	55%	0.546	S	S	*	.			trans	-57.8	111.6	140.6	50.6	0	0	0	0	103.6	A16	S14-A16 PolarHBondContact O-N 3.39Å
15	V	35	Very low	50.2	Low	123 Å²	123	92.4 Å²	92.4	75%	0.745	54%	0.536	S	S	*	.			trans	-53	99.7	160.6	175	0	0	0	0	103.5	V13 L17	V13-V15 VanDerWaalsContact C-N 3.29Å; V13-V15 PolarHBondContact O-N 3.18Å; V13-V15 VanDerWaalsContact O-N 3.11Å; V15-L17 PolarHBondContact O-N 2.99Å
16	A	33.9	Very low	52.6	Low	80 Å²	80	90.2 Å²	90.2	66%	0.661	51%	0.513	S	S	*	.			trans	-63.7	97.7	176.8	0	0	0	0	0	102.9	S14 K18	S14-A16 PolarHBondContact O-N 3.39Å; A16-K18 VanDerWaalsContact C-N 3.3Å; A16-K18 PolarHBondContact O-N 2.88Å
17	L	43.3	Very low	55	Low	129 Å²	129	95 Å²	95	68%	0.675	52%	0.523	S	S	*	.			trans	-46.8	111.2	159.1	-91.5	129.9	0	0	0	103.8	V15 D19	V15-L17 PolarHBondContact O-N 2.99Å; L17-D19 PolarHBondContact O-N 2.8Å
18	K	60.7	Low	57.2	Low	101 Å²	101	98 Å²	98	44%	0.439	53%	0.527	S	S	.	.			trans	-47.4	137.9	174	-80.1	177.8	177.7	172.5	0	106.6	A16 P20 T23 D62	A16-K18 VanDerWaalsContact C-N 3.3Å; A16-K18 PolarHBondContact O-N 2.88Å; K18-P20 VanDerWaalsContact O-CD 3.29Å; K18-P20 WeakPolarHBondContact O-CD 3.42Å; K18-T23 WeakPolarHBondContact CB-OG1 3.43Å; K18-D62 IonicContact NZ-OD2 3.92Å; K18-D62 PolarHBondContact NZ-OD2 3.49Å
19	D	73.2	Confident	59.2	Low	45 Å²	45	95.9 Å²	95.9	24%	0.241	52%	0.52	C	S	.	.			trans	-52.3	116.9	-178	-173.4	-20.8	0	0	0	107.7	L17 Y21 E22 T23 R28	L17-D19 PolarHBondContact O-N 2.8Å; D19-Y21 PolarHBondContact O-N 3.35Å; D19-Y21 WeakPolarHBondContact OD1-CB 3.47Å; D19-Y21 VanDerWaalsContact OD1-CD2 3.3Å; D19-Y21 WeakPolarHBondContact OD1-CD2 3.39Å; D19-Y21 PolarHBondContact OD1-N 2.8Å; D19-Y21 VanDerWaalsContact OD1-N 3.09Å; D19-E22 HydrophobicContact CB-CB 3.91Å; D19-E22 WeakPolarHBondContact O-CB 3.35Å; D19-E22 PolarHBondContact O-N 3.03Å; D19-T23 PolarHBondContact O-N 3.32Å; D19-T23 PolarHBondContact O-OG1 3.38Å; D19-R28 IonicContact OD1-NH2 3.75Å; D19-R28 IonicContact OD2-CZ 3.49Å; D19-R28 IonicContact OD2-NE 2.86Å; D19-R28 IonicContact OD2-NH2 2.67Å; D19-R28 PolarHBondContact OD2-NH2 3.23Å
20	P	74.2	Confident	61.5	Low	18 Å²	18	87.7 Å²	87.7	12%	0.117	49%	0.487	C	S	.	.	H	α-helix	trans	-64.8	-24.6	-172.8	25.1	-34.9	0	0	0	111.3	K18 L24 A66 Y69 L70	K18-P20 VanDerWaalsContact O-CD 3.29Å; K18-P20 WeakPolarHBondContact O-CD 3.42Å; P20-L24 PolarHBondContact O-N 2.95Å; P20-L24 VanDerWaalsContact O-N 3.09Å; P20-A66 HydrophobicContact CB-CB 3.72Å; P20-Y69 HydrophobicContact CB-CD1 4Å; P20-Y69 HydrophobicContact CB-CG 4.45Å; P20-Y69 HydrophobicContact CG-CD1 3.44Å; P20-Y69 VanDerWaalsContact CG-CD1 3.44Å; P20-Y69 HydrophobicContact CG-CE1 3.76Å; P20-Y69 HydrophobicContact CG-CG 4.18Å; P20-L70 HydrophobicContact CB-CD1 3.98Å; P20-L70 HydrophobicContact CB-CD2 4.34Å; P20-L70 HydrophobicContact CB-CG 3.94Å; P20-L70 HydrophobicContact CG-CD2 4.22Å; P20-L70 HydrophobicContact CG-CG 4.35Å; P20-L70 WeakPolarHBondContact O-CD1 3.25Å
21	Y	82.7	Confident	63.9	Low	10 Å²	10	83.3 Å²	83.3	4%	0.039	47%	0.469	C	S	.	.	H	α-helix	trans	-69.6	-43.4	173.4	-66.2	-78.4	0	0	0	111.8	D19 L24 E25 I26 Q27 R28 L70 R75 E79	D19-Y21 PolarHBondContact O-N 3.35Å; D19-Y21 WeakPolarHBondContact OD1-CB 3.47Å; D19-Y21 VanDerWaalsContact OD1-CD2 3.3Å; D19-Y21 WeakPolarHBondContact OD1-CD2 3.39Å; D19-Y21 PolarHBondContact OD1-N 2.8Å; D19-Y21 VanDerWaalsContact OD1-N 3.09Å; Y21-L24 PolarHBondContact O-N 2.76Å; Y21-E25 PolarHBondContact O-N 3.44Å; Y21-I26 CarbonylContact C-O 3.43Å; Y21-I26 WeakPolarHBondContact CB-O 3.48Å; Y21-I26 HydrophobicContact CD1-CD1 4.32Å; Y21-I26 HydrophobicContact CD1-CG1 4.16Å; Y21-I26 PolarHBondContact O-N 3.08Å; Y21-I26 VanDerWaalsContact O-O 3.13Å; Y21-Q27 WeakPolarHBondContact CD1-O 3.27Å; Y21-R28 HydrophobicContact CD1-CB 4.45Å; Y21-R28 HydrophobicContact CD1-CG 4.16Å; Y21-R28 HydrophobicContact CD2-CG 3.62Å; Y21-R28 HydrophobicContact CE1-CB 4.47Å; Y21-R28 HydrophobicContact CE1-CG 4.46Å; Y21-R28 HydrophobicContact CE2-CG 3.93Å; Y21-R28 HydrophobicContact CG-CB 4.49Å; Y21-R28 HydrophobicContact CG-CG 3.73Å; Y21-L70 HydrophobicContact CD1-CD1 4.32Å; Y21-L70 HydrophobicContact CD1-CD2 3.89Å; Y21-L70 HydrophobicContact CD2-CD2 4.11Å; Y21-L70 HydrophobicContact CE1-CD1 4.47Å; Y21-L70 HydrophobicContact CE1-CD2 3.34Å; Y21-L70 HydrophobicContact CE2-CD2 3.63Å; Y21-L70 HydrophobicContact CG-CD2 4.24Å; Y21-L70 WeakPolarHBondContact OH-CD2 3.22Å; Y21-R75 PolarHBondContact OH-NE 3.22Å; Y21-E79 PolarHBondContact OH-OE1 2.57Å
22	E	86.2	Confident	66.1	Low	150 Å²	150	81.1 Å²	81.1	70%	0.701	46%	0.463	S	S	*	.	H	α-helix	trans	-66.7	-41.6	175.8	-168.4	-179.8	-179	0	0	111	D19 L24 E25	D19-E22 HydrophobicContact CB-CB 3.91Å; D19-E22 WeakPolarHBondContact O-CB 3.35Å; D19-E22 PolarHBondContact O-N 3.03Å; E22-L24 VanDerWaalsContact C-N 3.3Å; E22-L24 PolarHBondContact O-N 3.25Å; E22-E25 PolarHBondContact O-N 2.83Å
23	T	83.7	Confident	68.3	Low	27 Å²	27	82.6 Å²	82.6	17%	0.166	46%	0.461	C	S	.	.	H	α-helix	trans	-62.4	-36	178.4	-53.7	0	0	0	0	112.4	K18 D19 D62 I63 A66	K18-T23 WeakPolarHBondContact CB-OG1 3.43Å; D19-T23 PolarHBondContact O-N 3.32Å; D19-T23 PolarHBondContact O-OG1 3.38Å; T23-D62 HydrophobicContact CG2-CB 3.79Å; T23-D62 WeakPolarHBondContact CG2-O 3.18Å; T23-I63 HydrophobicContact CG2-CG1 4.49Å; T23-A66 HydrophobicContact CG2-CB 3.78Å
24	L	85	Confident	70.7	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	2.2	173.4	-71.2	-170.2	0	0	0	114.1	P20 Y21 E22 I26 I35 A38 L42 I63 A66 Y67 L70	P20-L24 PolarHBondContact O-N 2.95Å; P20-L24 VanDerWaalsContact O-N 3.09Å; Y21-L24 PolarHBondContact O-N 2.76Å; E22-L24 VanDerWaalsContact C-N 3.3Å; E22-L24 PolarHBondContact O-N 3.25Å; L24-I26 VanDerWaalsContact C-N 3.32Å; L24-I26 HydrophobicContact CB-CD1 3.97Å; L24-I26 HydrophobicContact CB-CG1 3.86Å; L24-I26 HydrophobicContact CD1-CD1 4.17Å; L24-I26 PolarHBondContact O-N 2.74Å; L24-I35 HydrophobicContact CD1-CG2 3.98Å; L24-A38 HydrophobicContact CB-CB 4.41Å; L24-A38 WeakPolarHBondContact O-CB 3.31Å; L24-L42 HydrophobicContact CB-CD1 4.46Å; L24-L42 HydrophobicContact CD2-CD1 4.11Å; L24-L42 WeakPolarHBondContact O-CD1 3.33Å; L24-I63 HydrophobicContact CD2-CB 4.49Å; L24-I63 HydrophobicContact CD2-CG2 3.86Å; L24-A66 HydrophobicContact CD2-CB 4.3Å; L24-A66 HydrophobicContact CG-CB 3.87Å; L24-Y67 HydrophobicContact CD1-CD2 4.48Å; L24-L70 HydrophobicContact CD1-CD1 3.57Å; L24-L70 HydrophobicContact CG-CD1 4.23Å
25	E	89.1	Confident	73.2	Confident	119 Å²	119	73.8 Å²	73.8	56%	0.556	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	45.5	-177.3	-55.1	172.1	175.4	0	0	112.9	Y21 E22 L42	Y21-E25 PolarHBondContact O-N 3.44Å; E22-E25 PolarHBondContact O-N 2.83Å; E25-L42 HydrophobicContact CG-CD1 4.39Å
26	I	89.3	Confident	75.2	Confident	31 Å²	31	71 Å²	71	16%	0.159	38%	0.384	C	S	.	.			trans	-130.9	156.9	-179.7	55.9	174.6	0	0	0	111.6	Y21 L24 A30 I35 A38 L70	Y21-I26 CarbonylContact C-O 3.43Å; Y21-I26 WeakPolarHBondContact CB-O 3.48Å; Y21-I26 HydrophobicContact CD1-CD1 4.32Å; Y21-I26 HydrophobicContact CD1-CG1 4.16Å; Y21-I26 PolarHBondContact O-N 3.08Å; Y21-I26 VanDerWaalsContact O-O 3.13Å; L24-I26 VanDerWaalsContact C-N 3.32Å; L24-I26 HydrophobicContact CB-CD1 3.97Å; L24-I26 HydrophobicContact CB-CG1 3.86Å; L24-I26 HydrophobicContact CD1-CD1 4.17Å; L24-I26 PolarHBondContact O-N 2.74Å; I26-A30 HydrophobicContact CB-CB 4.27Å; I26-A30 HydrophobicContact CD1-CB 3.94Å; I26-A30 HydrophobicContact CG1-CB 4.49Å; I26-I35 HydrophobicContact CD1-CB 4.34Å; I26-I35 HydrophobicContact CD1-CG1 3.59Å; I26-A38 HydrophobicContact CG2-CB 3.48Å; I26-A38 VanDerWaalsContact CG2-CB 3.48Å; I26-L70 HydrophobicContact CD1-CD1 3.92Å
27	Q	83.4	Confident	77.4	Confident	169 Å²	169	75.3 Å²	75.3	79%	0.79	38%	0.383	S	S	*	.			trans	-74.6	149.2	175	-67.6	-175.9	-10	0	0	112	Y21 G29 A30	Y21-Q27 WeakPolarHBondContact CD1-O 3.27Å; Q27-G29 PolarHBondContact O-N 3.11Å; Q27-A30 WeakPolarHBondContact O-CB 3.46Å; Q27-A30 PolarHBondContact O-N 2.94Å; Q27-A30 VanDerWaalsContact O-N 3.14Å
28	R	80.5	Confident	79.3	Confident	180 Å²	180	69.2 Å²	69.2	68%	0.679	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	132.8	166.5	-67.3	-174.8	176.5	-141.9	2.7	109.2	D19 Y21	D19-R28 IonicContact OD1-NH2 3.75Å; D19-R28 IonicContact OD2-CZ 3.49Å; D19-R28 IonicContact OD2-NE 2.86Å; D19-R28 IonicContact OD2-NH2 2.67Å; D19-R28 PolarHBondContact OD2-NH2 3.23Å; Y21-R28 HydrophobicContact CD1-CB 4.45Å; Y21-R28 HydrophobicContact CD1-CG 4.16Å; Y21-R28 HydrophobicContact CD2-CG 3.62Å; Y21-R28 HydrophobicContact CE1-CB 4.47Å; Y21-R28 HydrophobicContact CE1-CG 4.46Å; Y21-R28 HydrophobicContact CE2-CG 3.93Å; Y21-R28 HydrophobicContact CG-CB 4.49Å; Y21-R28 HydrophobicContact CG-CG 3.73Å
29	G	74.1	Confident	80.3	Confident	52 Å²	52	66.3 Å²	66.3	54%	0.536	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.2	-6.9	-172.9	0	0	0	0	0	115.4	Q27 S31	Q27-G29 PolarHBondContact O-N 3.11Å; G29-S31 PolarHBondContact O-N 3.42Å
30	A	79.6	Confident	80.5	Confident	15 Å²	15	69.4 Å²	69.4	12%	0.124	35%	0.349	C	S	.	.			trans	-50.3	140	-178.8	0	0	0	0	0	113.1	I26 Q27 A34 I35 R75	I26-A30 HydrophobicContact CB-CB 4.27Å; I26-A30 HydrophobicContact CD1-CB 3.94Å; I26-A30 HydrophobicContact CG1-CB 4.49Å; Q27-A30 WeakPolarHBondContact O-CB 3.46Å; Q27-A30 PolarHBondContact O-N 2.94Å; Q27-A30 VanDerWaalsContact O-N 3.14Å; A30-A34 HydrophobicContact CB-CB 4.15Å; A30-I35 HydrophobicContact CB-CG1 4.08Å; A30-R75 PolarHBondContact O-NH1 3.28Å; A30-R75 VanDerWaalsContact O-NH1 3.09Å
31	S	78.5	Confident	81.1	Confident	59 Å²	59	74.5 Å²	74.5	41%	0.413	37%	0.366	S	S	.	.			trans	-66.6	155.2	176.3	69.3	0	0	0	0	111	G29 D33 A34 I35	G29-S31 PolarHBondContact O-N 3.42Å; S31-D33 PolarHBondContact O-N 3.43Å; S31-D33 VanDerWaalsContact O-N 3.14Å; S31-A34 WeakPolarHBondContact O-CA 3.43Å; S31-A34 WeakPolarHBondContact O-CB 3.3Å; S31-A34 PolarHBondContact O-N 2.86Å; S31-A34 PolarHBondContact OG-N 3.48Å; S31-I35 PolarHBondContact O-N 2.77Å
32	P	72.8	Confident	81.2	Confident	102 Å²	102	74.1 Å²	74.1	66%	0.662	37%	0.365	S	S	*	.	H	α-helix	trans	-51.8	-37.3	176.6	-27.6	35.2	0	0	0	113.2	I35 K36	P32-I35 PolarHBondContact O-N 3.32Å; P32-K36 WeakPolarHBondContact O-CB 3.38Å; P32-K36 PolarHBondContact O-N 3.44Å
33	D	73.5	Confident	80.7	Confident	109 Å²	109	67.6 Å²	67.6	58%	0.583	34%	0.336	S	S	*	.	H	α-helix	trans	-69.6	-33.5	176.9	-67.6	-30.4	0	0	0	113.3	S31 R37	S31-D33 PolarHBondContact O-N 3.43Å; S31-D33 VanDerWaalsContact O-N 3.14Å; D33-R37 WeakPolarHBondContact O-CB 3.38Å; D33-R37 VanDerWaalsContact O-CG 3.28Å; D33-R37 WeakPolarHBondContact O-CG 3.41Å; D33-R37 PolarHBondContact O-N 3.18Å; D33-R37 PolarHBondContact O-NE 2.93Å
34	A	79.5	Confident	80.4	Confident	27 Å²	27	73.5 Å²	73.5	22%	0.223	36%	0.36	C	S	.	.	H	α-helix	trans	-69.3	-43.4	174.6	0	0	0	0	0	111.1	A30 S31 K36 R37 A38	A30-A34 HydrophobicContact CB-CB 4.15Å; S31-A34 WeakPolarHBondContact O-CA 3.43Å; S31-A34 WeakPolarHBondContact O-CB 3.3Å; S31-A34 PolarHBondContact O-N 2.86Å; S31-A34 PolarHBondContact OG-N 3.48Å; A34-K36 VanDerWaalsContact C-N 3.35Å; A34-K36 PolarHBondContact O-N 2.87Å; A34-R37 PolarHBondContact O-N 3.05Å; A34-A38 WeakPolarHBondContact O-CB 3.19Å; A34-A38 PolarHBondContact O-N 3.45Å
35	I	79.3	Confident	80.2	Confident	3 Å²	3	77.8 Å²	77.8	2%	0.015	38%	0.382	C	S	.	.	H	α-helix	trans	-58.3	-47.2	174.6	-66.1	160	0	0	0	110.3	L24 I26 A30 S31 P32 R37 A38 Y39 Y67 L70	L24-I35 HydrophobicContact CD1-CG2 3.98Å; I26-I35 HydrophobicContact CD1-CB 4.34Å; I26-I35 HydrophobicContact CD1-CG1 3.59Å; A30-I35 HydrophobicContact CB-CG1 4.08Å; S31-I35 PolarHBondContact O-N 2.77Å; P32-I35 PolarHBondContact O-N 3.32Å; I35-R37 PolarHBondContact O-N 2.99Å; I35-A38 PolarHBondContact O-N 3.22Å; I35-Y39 WeakPolarHBondContact O-CB 3.27Å; I35-Y39 PolarHBondContact O-N 3.01Å; I35-Y67 HydrophobicContact CG2-CD2 3.63Å; I35-Y67 HydrophobicContact CG2-CE2 3.89Å; I35-L70 HydrophobicContact CD1-CB 4.06Å; I35-L70 HydrophobicContact CG1-CB 4.38Å; I35-L70 HydrophobicContact CG2-CB 3.93Å
36	K	77.3	Confident	79.8	Confident	64 Å²	64	74.2 Å²	74.2	28%	0.278	36%	0.363	S	S	.	.	H	α-helix	trans	-63.1	-39.1	177.9	-169.2	175.5	-174.5	176.4	0	113.1	P32 A34 K40 Y67	P32-K36 WeakPolarHBondContact O-CB 3.38Å; P32-K36 PolarHBondContact O-N 3.44Å; A34-K36 VanDerWaalsContact C-N 3.35Å; A34-K36 PolarHBondContact O-N 2.87Å; K36-K40 WeakPolarHBondContact O-CG 3.25Å; K36-K40 PolarHBondContact O-N 3.46Å; K36-K40 VanDerWaalsContact O-N 3.11Å; K36-Y67 HydrophobicContact CB-CE2 4.41Å
37	R	79.6	Confident	79	Confident	171 Å²	171	74 Å²	74	65%	0.645	36%	0.362	S	S	*	.	H	α-helix	trans	-67.1	-44.1	176.2	-79.8	-176.3	-76	177.1	-3.9	111.8	D33 A34 I35 K40 R41	D33-R37 WeakPolarHBondContact O-CB 3.38Å; D33-R37 VanDerWaalsContact O-CG 3.28Å; D33-R37 WeakPolarHBondContact O-CG 3.41Å; D33-R37 PolarHBondContact O-N 3.18Å; D33-R37 PolarHBondContact O-NE 2.93Å; A34-R37 PolarHBondContact O-N 3.05Å; I35-R37 PolarHBondContact O-N 2.99Å; R37-K40 PolarHBondContact O-N 2.81Å; R37-R41 PolarHBondContact O-N 3.37Å
38	A	83.3	Confident	78	Confident	2 Å²	2	68.6 Å²	68.6	2%	0.017	34%	0.341	C	S	.	.	H	α-helix	trans	-61.9	-48.3	178	0	0	0	0	0	111.8	L24 I26 A34 I35 K40 R41 L42	L24-A38 HydrophobicContact CB-CB 4.41Å; L24-A38 WeakPolarHBondContact O-CB 3.31Å; I26-A38 HydrophobicContact CG2-CB 3.48Å; I26-A38 VanDerWaalsContact CG2-CB 3.48Å; A34-A38 WeakPolarHBondContact O-CB 3.19Å; A34-A38 PolarHBondContact O-N 3.45Å; I35-A38 PolarHBondContact O-N 3.22Å; A38-K40 PolarHBondContact O-N 3.05Å; A38-R41 PolarHBondContact O-N 3.09Å; A38-L42 WeakPolarHBondContact O-CB 3.41Å; A38-L42 PolarHBondContact O-N 3.25Å
39	Y	81.6	Confident	77.3	Confident	40 Å²	40	66.8 Å²	66.8	16%	0.157	35%	0.345	C	S	.	.	H	α-helix	trans	-56	-49.6	174.7	170.9	-104.1	0	0	0	112.1	I35 R41 L42 A43 I63 N64 Y67	I35-Y39 WeakPolarHBondContact O-CB 3.27Å; I35-Y39 PolarHBondContact O-N 3.01Å; Y39-R41 VanDerWaalsContact C-N 3.3Å; Y39-R41 PolarHBondContact O-N 3.17Å; Y39-L42 PolarHBondContact O-N 3.38Å; Y39-A43 HydrophobicContact CE2-CB 4.18Å; Y39-A43 WeakPolarHBondContact O-CB 3.29Å; Y39-A43 PolarHBondContact O-N 3.36Å; Y39-I63 HydrophobicContact CD2-CG2 3.71Å; Y39-I63 HydrophobicContact CE2-CG2 4.06Å; Y39-N64 VanDerWaalsContact CE2-OD1 3.26Å; Y39-N64 WeakPolarHBondContact CE2-OD1 3.31Å; Y39-N64 PolarHBondContact OH-OD1 3.28Å; Y39-Y67 HydrophobicContact CD1-CD1 4.05Å; Y39-Y67 HydrophobicContact CD1-CD2 4.18Å; Y39-Y67 HydrophobicContact CD1-CE1 4.07Å; Y39-Y67 HydrophobicContact CD1-CE2 4.2Å; Y39-Y67 HydrophobicContact CD1-CG 4.11Å; Y39-Y67 VanDerWaalsContact CD2-CB 3.46Å; Y39-Y67 AromaticContact CD2-CD1 3.92Å; Y39-Y67 HydrophobicContact CD2-CD1 3.92Å; Y39-Y67 HydrophobicContact CD2-CD2 4.11Å; Y39-Y67 AromaticContact CD2-CG 3.56Å; Y39-Y67 HydrophobicContact CD2-CG 3.56Å; Y39-Y67 HydrophobicContact CE1-CD1 4.26Å; Y39-Y67 HydrophobicContact CE1-CE1 4.28Å; Y39-Y67 HydrophobicContact CE2-CD1 4.13Å; Y39-Y67 HydrophobicContact CE2-CG 4.2Å; Y39-Y67 AromaticContact CG-CD1 3.88Å; Y39-Y67 HydrophobicContact CG-CD1 3.88Å; Y39-Y67 AromaticContact CG-CD2 3.61Å; Y39-Y67 HydrophobicContact CG-CD2 3.61Å; Y39-Y67 HydrophobicContact CG-CE1 4.31Å; Y39-Y67 HydrophobicContact CG-CE2 4.06Å; Y39-Y67 AromaticContact CG-CG 3.5Å; Y39-Y67 HydrophobicContact CG-CG 3.5Å
40	K	78.1	Confident	77.2	Confident	110 Å²	110	72 Å²	72	48%	0.478	35%	0.353	S	S	.	.	H	α-helix	trans	-59.1	-40	178.6	-78.1	-177.1	177.1	-171.7	0	112.9	K36 R37 A38 K44	K36-K40 WeakPolarHBondContact O-CG 3.25Å; K36-K40 PolarHBondContact O-N 3.46Å; K36-K40 VanDerWaalsContact O-N 3.11Å; R37-K40 PolarHBondContact O-N 2.81Å; A38-K40 PolarHBondContact O-N 3.05Å; K40-K44 WeakPolarHBondContact O-CB 3.31Å; K40-K44 PolarHBondContact O-N 3.49Å
41	R	86.4	Confident	76.9	Confident	125 Å²	125	73.1 Å²	73.1	47%	0.472	36%	0.356	S	S	.	.	H	α-helix	trans	-65.4	-51.6	178	179	179.5	62.3	-148.8	-1.5	110.8	R37 A38 Y39 K44 I45	R37-R41 PolarHBondContact O-N 3.37Å; A38-R41 PolarHBondContact O-N 3.09Å; Y39-R41 VanDerWaalsContact C-N 3.3Å; Y39-R41 PolarHBondContact O-N 3.17Å; R41-K44 PolarHBondContact O-N 2.82Å; R41-I45 HydrophobicContact CG-CD1 3.98Å; R41-I45 WeakPolarHBondContact O-CG1 3.25Å; R41-I45 PolarHBondContact O-N 3.45Å
42	L	85.5	Confident	76.8	Confident	2 Å²	2	75.3 Å²	75.3	1%	0.01	38%	0.379	C	S	.	.	H	α-helix	trans	-70.3	-41	-176.1	-71.8	171.7	0	0	0	112.7	L24 E25 A38 Y39 K44 I45 W46 I63	L24-L42 HydrophobicContact CB-CD1 4.46Å; L24-L42 HydrophobicContact CD2-CD1 4.11Å; L24-L42 WeakPolarHBondContact O-CD1 3.33Å; E25-L42 HydrophobicContact CG-CD1 4.39Å; A38-L42 WeakPolarHBondContact O-CB 3.41Å; A38-L42 PolarHBondContact O-N 3.25Å; Y39-L42 PolarHBondContact O-N 3.38Å; L42-K44 PolarHBondContact O-N 2.98Å; L42-I45 PolarHBondContact O-N 2.75Å; L42-I45 VanDerWaalsContact O-N 3.12Å; L42-W46 WeakPolarHBondContact O-CB 3.31Å; L42-W46 PolarHBondContact O-N 3.34Å; L42-I63 HydrophobicContact CB-CD1 3.71Å; L42-I63 HydrophobicContact CB-CG1 4.11Å; L42-I63 HydrophobicContact CB-CG2 4.08Å; L42-I63 HydrophobicContact CD1-CG1 4.41Å
43	A	74.9	Confident	77	Confident	12 Å²	12	73.8 Å²	73.8	10%	0.099	37%	0.365	C	S	.	.	H	α-helix	trans	-60.9	-31.1	174.4	0	0	0	0	0	112.3	Y39 H47 F60	Y39-A43 HydrophobicContact CE2-CB 4.18Å; Y39-A43 WeakPolarHBondContact O-CB 3.29Å; Y39-A43 PolarHBondContact O-N 3.36Å; A43-H47 WeakPolarHBondContact O-CB 3.46Å; A43-H47 PolarHBondContact O-N 2.83Å; A43-F60 HydrophobicContact CB-CE2 3.82Å
44	K	77.2	Confident	77	Confident	152 Å²	152	74.7 Å²	74.7	66%	0.661	38%	0.376	S	S	*	.	H	α-helix	trans	-73.3	-36.7	174.8	-173.1	-177.8	177.9	-174.1	0	112.5	K40 R41 L42	K40-K44 WeakPolarHBondContact O-CB 3.31Å; K40-K44 PolarHBondContact O-N 3.49Å; R41-K44 PolarHBondContact O-N 2.82Å; L42-K44 PolarHBondContact O-N 2.98Å
45	I	80.5	Confident	76.8	Confident	90 Å²	90	77.3 Å²	77.3	46%	0.462	38%	0.384	S	S	.	.	H	α-helix	trans	-77.2	-43.5	-178.4	-66.2	164.5	0	0	0	111.1	R41 L42 N51	R41-I45 HydrophobicContact CG-CD1 3.98Å; R41-I45 WeakPolarHBondContact O-CG1 3.25Å; R41-I45 PolarHBondContact O-N 3.45Å; L42-I45 PolarHBondContact O-N 2.75Å; L42-I45 VanDerWaalsContact O-N 3.12Å; I45-N51 WeakPolarHBondContact O-CB 3.43Å; I45-N51 PolarHBondContact O-ND2 2.85Å
46	W	80.8	Confident	76.1	Confident	43 Å²	43	77.3 Å²	77.3	16%	0.163	38%	0.384	C	S	.	.	S	Bend	trans	-96.6	14.2	-174.6	-66.5	105.9	0	0	0	113.4	L42 D53 A56 R59 I63	L42-W46 WeakPolarHBondContact O-CB 3.31Å; L42-W46 PolarHBondContact O-N 3.34Å; W46-D53 HydrophobicContact CZ3-CB 4.48Å; W46-A56 HydrophobicContact CE3-CB 4.25Å; W46-R59 HydrophobicContact CB-CB 4.2Å; W46-R59 HydrophobicContact CD2-CB 3.66Å; W46-R59 HydrophobicContact CD2-CG 3.99Å; W46-R59 HydrophobicContact CE3-CB 3.73Å; W46-R59 HydrophobicContact CE3-CG 3.82Å; W46-R59 HydrophobicContact CG-CB 3.92Å; W46-R59 HydrophobicContact CH2-CG 4.02Å; W46-R59 HydrophobicContact CZ2-CG 4.22Å; W46-R59 HydrophobicContact CZ3-CB 4.27Å; W46-R59 HydrophobicContact CZ3-CG 3.82Å; W46-I63 HydrophobicContact CB-CD1 3.82Å; W46-I63 VanDerWaalsContact CD1-CD1 3.46Å; W46-I63 HydrophobicContact CG-CD1 3.82Å
47	H	71.8	Confident	75.2	Confident	28 Å²	28	78.1 Å²	78.1	13%	0.13	39%	0.392	C	S	.	.			trans	-64.8	125.8	177.6	-166.7	-79.6	0	0	0	110.2	A43 D49 K50 N51 F100	A43-H47 WeakPolarHBondContact O-CB 3.46Å; A43-H47 PolarHBondContact O-N 2.83Å; H47-D49 VanDerWaalsContact C-N 3.26Å; H47-D49 IonicContact CE1-OD2 3.94Å; H47-D49 PolarHBondContact CE1-OD2 3.12Å; H47-D49 WeakPolarHBondContact ND1-CB 3.22Å; H47-D49 PolarHBondContact ND1-N 3.25Å; H47-D49 PolarHBondContact O-N 2.67Å; H47-K50 HydrophobicContact CB-CB 4.25Å; H47-K50 HydrophobicContact CB-CG 4.41Å; H47-K50 PolarHBondContact O-N 3.34Å; H47-N51 WeakPolarHBondContact O-CB 3.48Å; H47-N51 PolarHBondContact O-N 2.86Å; H47-F100 AromaticContact CD2-CE1 3.76Å; H47-F100 AromaticContact NE2-CE1 3.38Å; H47-F100 WeakPolarHBondContact NE2-CE1 3.43Å
48	P	63.9	Low	74.5	Confident	54 Å²	54	77.3 Å²	77.3	35%	0.351	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-33.7	-175.1	21.7	-32.5	0	0	0	113.3
49	D	64.5	Low	74.1	Confident	143 Å²	143	82 Å²	82	77%	0.765	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-25.2	175.4	-64.4	-10.6	0	0	0	114.6	H47	H47-D49 VanDerWaalsContact C-N 3.26Å; H47-D49 IonicContact CE1-OD2 3.94Å; H47-D49 PolarHBondContact CE1-OD2 3.12Å; H47-D49 WeakPolarHBondContact ND1-CB 3.22Å; H47-D49 PolarHBondContact ND1-N 3.25Å; H47-D49 PolarHBondContact O-N 2.67Å
50	K	72.3	Confident	73.5	Confident	161 Å²	161	81.4 Å²	81.4	70%	0.7	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-12.5	-175.1	-62	-171	178.5	-174.8	0	112.8	H47	H47-K50 HydrophobicContact CB-CB 4.25Å; H47-K50 HydrophobicContact CB-CG 4.41Å; H47-K50 PolarHBondContact O-N 3.34Å
51	N	74.5	Confident	72.7	Confident	38 Å²	38	79.4 Å²	79.4	20%	0.203	40%	0.398	C	S	.	.			trans	-127	113.3	-175.4	-170.9	-13.7	0	0	0	108.9	I45 H47 D53 A56	I45-N51 WeakPolarHBondContact O-CB 3.43Å; I45-N51 PolarHBondContact O-ND2 2.85Å; H47-N51 WeakPolarHBondContact O-CB 3.48Å; H47-N51 PolarHBondContact O-N 2.86Å; N51-D53 PolarHBondContact O-N 3.39Å; N51-D53 WeakPolarHBondContact OD1-CB 3.1Å; N51-D53 PolarHBondContact OD1-N 3.2Å; N51-A56 HydrophobicContact CB-CB 3.97Å
52	A	75.3	Confident	72	Confident	106 Å²	106	75 Å²	75	88%	0.876	38%	0.384	S	S	*	.			trans	-77.7	0.9	-179.4	0	0	0	0	0	113.5
53	D	77.9	Confident	71.6	Confident	69 Å²	69	75 Å²	75	37%	0.369	38%	0.384	S	S	.	.			trans	-63.6	127.5	176.2	-168.3	-35.4	0	0	0	110.4	W46 N51 E55 A56	W46-D53 HydrophobicContact CZ3-CB 4.48Å; N51-D53 PolarHBondContact O-N 3.39Å; N51-D53 WeakPolarHBondContact OD1-CB 3.1Å; N51-D53 PolarHBondContact OD1-N 3.2Å; D53-E55 PolarHBondContact O-N 2.91Å; D53-E55 VanDerWaalsContact O-N 3.13Å; D53-E55 PolarHBondContact OD1-N 3.04Å; D53-A56 HydrophobicContact CB-CB 4.37Å; D53-A56 WeakPolarHBondContact O-CB 3.29Å; D53-A56 PolarHBondContact O-N 2.94Å
54	P	73.1	Confident	71.1	Confident	128 Å²	128	75.4 Å²	75.4	83%	0.831	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.2	177.5	21.7	-32.3	0	0	0	113.8
55	E	74	Confident	70.4	Confident	83 Å²	83	72.5 Å²	72.5	39%	0.388	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-7	174	-70.2	-152.4	147.6	0	0	114.2	D53 N57 R58 R59	D53-E55 PolarHBondContact O-N 2.91Å; D53-E55 VanDerWaalsContact O-N 3.13Å; D53-E55 PolarHBondContact OD1-N 3.04Å; E55-N57 VanDerWaalsContact C-N 3.32Å; E55-N57 PolarHBondContact O-N 2.9Å; E55-R58 PolarHBondContact O-N 3.3Å; E55-R59 HydrophobicContact CB-CG 4.46Å; E55-R59 PolarHBondContact O-N 3.32Å; E55-R59 IonicContact OE2-NE 2.8Å
56	A	65.8	Low	70.1	Confident	2 Å²	2	68.4 Å²	68.4	2%	0.017	35%	0.353	C	S	.	.	H	α-helix	trans	-57	-44.1	-171.9	0	0	0	0	0	112.9	W46 N51 D53 R58 R59 F60	W46-A56 HydrophobicContact CE3-CB 4.25Å; N51-A56 HydrophobicContact CB-CB 3.97Å; D53-A56 HydrophobicContact CB-CB 4.37Å; D53-A56 WeakPolarHBondContact O-CB 3.29Å; D53-A56 PolarHBondContact O-N 2.94Å; A56-R58 PolarHBondContact O-N 3.42Å; A56-R59 PolarHBondContact O-N 3.32Å; A56-F60 VanDerWaalsContact O-CB 3.28Å; A56-F60 WeakPolarHBondContact O-CB 3.28Å; A56-F60 PolarHBondContact O-N 2.91Å
57	N	57.5	Low	69.8	Low	82 Å²	82	68.6 Å²	68.6	44%	0.439	35%	0.354	S	S	.	.	H	α-helix	trans	-61.4	-44.3	177.1	-171.1	30.6	0	0	0	112.1	E55 F60 I61	E55-N57 VanDerWaalsContact C-N 3.32Å; E55-N57 PolarHBondContact O-N 2.9Å; N57-F60 PolarHBondContact O-N 3.19Å; N57-I61 WeakPolarHBondContact O-CG1 3.37Å; N57-I61 PolarHBondContact O-N 3.15Å
58	R	65.6	Low	69.2	Low	154 Å²	154	71.1 Å²	71.1	58%	0.581	37%	0.366	S	S	*	.	H	α-helix	trans	-63.9	-46.1	179.1	-174.4	-178	-179.6	-175.8	3.6	111.2	E55 A56 F60 I61 D62	E55-R58 PolarHBondContact O-N 3.3Å; A56-R58 PolarHBondContact O-N 3.42Å; R58-F60 VanDerWaalsContact C-N 3.31Å; R58-F60 PolarHBondContact O-N 3.38Å; R58-I61 PolarHBondContact O-N 3.4Å; R58-D62 PolarHBondContact O-N 2.98Å; R58-D62 VanDerWaalsContact O-N 3.1Å
59	R	75	Confident	69.3	Low	101 Å²	101	72.5 Å²	72.5	38%	0.381	37%	0.365	S	S	.	.	H	α-helix	trans	-61.3	-41	176.3	-70.2	-70.8	-173	141	2.8	111.5	W46 E55 A56 I61 D62 I63	W46-R59 HydrophobicContact CB-CB 4.2Å; W46-R59 HydrophobicContact CD2-CB 3.66Å; W46-R59 HydrophobicContact CD2-CG 3.99Å; W46-R59 HydrophobicContact CE3-CB 3.73Å; W46-R59 HydrophobicContact CE3-CG 3.82Å; W46-R59 HydrophobicContact CG-CB 3.92Å; W46-R59 HydrophobicContact CH2-CG 4.02Å; W46-R59 HydrophobicContact CZ2-CG 4.22Å; W46-R59 HydrophobicContact CZ3-CB 4.27Å; W46-R59 HydrophobicContact CZ3-CG 3.82Å; E55-R59 HydrophobicContact CB-CG 4.46Å; E55-R59 PolarHBondContact O-N 3.32Å; E55-R59 IonicContact OE2-NE 2.8Å; A56-R59 PolarHBondContact O-N 3.32Å; R59-I61 VanDerWaalsContact C-N 3.33Å; R59-I61 PolarHBondContact O-N 3.12Å; R59-D62 PolarHBondContact O-N 2.89Å; R59-I63 WeakPolarHBondContact O-CB 3.4Å; R59-I63 VanDerWaalsContact O-CD1 3.28Å; R59-I63 WeakPolarHBondContact O-CD1 3.39Å; R59-I63 WeakPolarHBondContact O-CG1 3.35Å; R59-I63 PolarHBondContact O-N 3.49Å
60	F	69.2	Low	69.6	Low	27 Å²	27	66 Å²	66	12%	0.118	33%	0.329	C	S	.	.	H	α-helix	trans	-63.5	-37.8	178.5	-167.5	-101.2	0	0	0	112.8	A43 A56 N57 R58 N64	A43-F60 HydrophobicContact CB-CE2 3.82Å; A56-F60 VanDerWaalsContact O-CB 3.28Å; A56-F60 WeakPolarHBondContact O-CB 3.28Å; A56-F60 PolarHBondContact O-N 2.91Å; N57-F60 PolarHBondContact O-N 3.19Å; R58-F60 VanDerWaalsContact C-N 3.31Å; R58-F60 PolarHBondContact O-N 3.38Å; F60-N64 WeakPolarHBondContact CD1-ND2 3.36Å; F60-N64 WeakPolarHBondContact CE1-ND2 3.39Å; F60-N64 PolarHBondContact O-N 3.4Å; F60-N64 VanDerWaalsContact O-N 3.1Å; F60-N64 PolarHBondContact O-ND2 3.2Å; F60-N64 VanDerWaalsContact O-ND2 3.11Å
61	I	60.7	Low	69.2	Low	68 Å²	68	61 Å²	61	35%	0.349	31%	0.312	S	S	.	.	H	α-helix	trans	-63	-50.8	172.8	-66.8	164.5	0	0	0	110.1	N57 R58 R59 I63 N64 E65	N57-I61 WeakPolarHBondContact O-CG1 3.37Å; N57-I61 PolarHBondContact O-N 3.15Å; R58-I61 PolarHBondContact O-N 3.4Å; R59-I61 VanDerWaalsContact C-N 3.33Å; R59-I61 PolarHBondContact O-N 3.12Å; I61-I63 VanDerWaalsContact C-N 3.31Å; I61-I63 PolarHBondContact O-N 3.46Å; I61-N64 WeakPolarHBondContact O-CB 3.42Å; I61-N64 PolarHBondContact O-N 3.15Å; I61-N64 VanDerWaalsContact O-N 3.12Å; I61-E65 PolarHBondContact O-N 3.41Å
62	D	73	Confident	68.3	Low	31 Å²	31	61.9 Å²	61.9	17%	0.166	32%	0.317	C	S	.	.	H	α-helix	trans	-57.3	-44.1	179.5	-66.7	-9.7	0	0	0	111.3	K18 T23 R58 R59 N64 E65 A66	K18-D62 IonicContact NZ-OD2 3.92Å; K18-D62 PolarHBondContact NZ-OD2 3.49Å; T23-D62 HydrophobicContact CG2-CB 3.79Å; T23-D62 WeakPolarHBondContact CG2-O 3.18Å; R58-D62 PolarHBondContact O-N 2.98Å; R58-D62 VanDerWaalsContact O-N 3.1Å; R59-D62 PolarHBondContact O-N 2.89Å; D62-N64 PolarHBondContact O-N 3.42Å; D62-E65 PolarHBondContact O-N 2.84Å; D62-A66 WeakPolarHBondContact O-CB 3.31Å; D62-A66 PolarHBondContact O-N 3.29Å
63	I	75.3	Confident	67.2	Low	4 Å²	4	60.9 Å²	60.9	2%	0.021	30%	0.302	C	S	.	.	H	α-helix	trans	-60.8	-42.2	177.4	-71.9	157.3	0	0	0	111.6	T23 L24 Y39 L42 W46 R59 I61 Y67	T23-I63 HydrophobicContact CG2-CG1 4.49Å; L24-I63 HydrophobicContact CD2-CB 4.49Å; L24-I63 HydrophobicContact CD2-CG2 3.86Å; Y39-I63 HydrophobicContact CD2-CG2 3.71Å; Y39-I63 HydrophobicContact CE2-CG2 4.06Å; L42-I63 HydrophobicContact CB-CD1 3.71Å; L42-I63 HydrophobicContact CB-CG1 4.11Å; L42-I63 HydrophobicContact CB-CG2 4.08Å; L42-I63 HydrophobicContact CD1-CG1 4.41Å; W46-I63 HydrophobicContact CB-CD1 3.82Å; W46-I63 VanDerWaalsContact CD1-CD1 3.46Å; W46-I63 HydrophobicContact CG-CD1 3.82Å; R59-I63 WeakPolarHBondContact O-CB 3.4Å; R59-I63 VanDerWaalsContact O-CD1 3.28Å; R59-I63 WeakPolarHBondContact O-CD1 3.39Å; R59-I63 WeakPolarHBondContact O-CG1 3.35Å; R59-I63 PolarHBondContact O-N 3.49Å; I61-I63 VanDerWaalsContact C-N 3.31Å; I61-I63 PolarHBondContact O-N 3.46Å; I63-Y67 WeakPolarHBondContact O-CB 3.48Å; I63-Y67 PolarHBondContact O-N 2.78Å
64	N	64.4	Low	65.8	Low	20 Å²	20	60.7 Å²	60.7	11%	0.107	30%	0.301	C	S	.	.	H	α-helix	trans	-65.9	-43.4	178.1	-88.2	-48.5	0	0	0	112.1	Y39 F60 I61 D62 Q68	Y39-N64 VanDerWaalsContact CE2-OD1 3.26Å; Y39-N64 WeakPolarHBondContact CE2-OD1 3.31Å; Y39-N64 PolarHBondContact OH-OD1 3.28Å; F60-N64 WeakPolarHBondContact CD1-ND2 3.36Å; F60-N64 WeakPolarHBondContact CE1-ND2 3.39Å; F60-N64 PolarHBondContact O-N 3.4Å; F60-N64 VanDerWaalsContact O-N 3.1Å; F60-N64 PolarHBondContact O-ND2 3.2Å; F60-N64 VanDerWaalsContact O-ND2 3.11Å; I61-N64 WeakPolarHBondContact O-CB 3.42Å; I61-N64 PolarHBondContact O-N 3.15Å; I61-N64 VanDerWaalsContact O-N 3.12Å; D62-N64 PolarHBondContact O-N 3.42Å; N64-Q68 WeakPolarHBondContact O-CG 3.43Å; N64-Q68 PolarHBondContact O-N 3.22Å
65	E	63.9	Low	64.8	Low	91 Å²	91	56.1 Å²	56.1	43%	0.425	27%	0.267	S	S	.	.	H	α-helix	trans	-63.2	-45.5	176.7	-72.1	-171	171.3	0	0	111.3	I61 D62 Y67 Q68 Y69	I61-E65 PolarHBondContact O-N 3.41Å; D62-E65 PolarHBondContact O-N 2.84Å; E65-Y67 PolarHBondContact O-N 3.14Å; E65-Q68 PolarHBondContact O-N 3.12Å; E65-Y69 WeakPolarHBondContact O-CB 3.13Å; E65-Y69 PolarHBondContact O-N 3.12Å
66	A	74.5	Confident	63.6	Low	4 Å²	4	58.3 Å²	58.3	3%	0.033	28%	0.277	C	S	.	.	H	α-helix	trans	-62.2	-44.3	178.3	0	0	0	0	0	112.5	P20 T23 L24 D62 Q68 Y69 L70	P20-A66 HydrophobicContact CB-CB 3.72Å; T23-A66 HydrophobicContact CG2-CB 3.78Å; L24-A66 HydrophobicContact CD2-CB 4.3Å; L24-A66 HydrophobicContact CG-CB 3.87Å; D62-A66 WeakPolarHBondContact O-CB 3.31Å; D62-A66 PolarHBondContact O-N 3.29Å; A66-Q68 PolarHBondContact O-N 3.47Å; A66-Y69 PolarHBondContact O-N 3.17Å; A66-L70 WeakPolarHBondContact O-CB 3.43Å; A66-L70 WeakPolarHBondContact O-CD1 3.43Å; A66-L70 VanDerWaalsContact O-CG 3.22Å; A66-L70 WeakPolarHBondContact O-CG 3.31Å; A66-L70 PolarHBondContact O-N 2.71Å
67	Y	74.6	Confident	62.4	Low	46 Å²	46	64.3 Å²	64.3	18%	0.18	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-42	175.7	178.3	-109.4	0	0	0	112.6	L24 I35 K36 Y39 I63 E65 L70 T71	L24-Y67 HydrophobicContact CD1-CD2 4.48Å; I35-Y67 HydrophobicContact CG2-CD2 3.63Å; I35-Y67 HydrophobicContact CG2-CE2 3.89Å; K36-Y67 HydrophobicContact CB-CE2 4.41Å; Y39-Y67 HydrophobicContact CD1-CD1 4.05Å; Y39-Y67 HydrophobicContact CD1-CD2 4.18Å; Y39-Y67 HydrophobicContact CD1-CE1 4.07Å; Y39-Y67 HydrophobicContact CD1-CE2 4.2Å; Y39-Y67 HydrophobicContact CD1-CG 4.11Å; Y39-Y67 VanDerWaalsContact CD2-CB 3.46Å; Y39-Y67 AromaticContact CD2-CD1 3.92Å; Y39-Y67 HydrophobicContact CD2-CD1 3.92Å; Y39-Y67 HydrophobicContact CD2-CD2 4.11Å; Y39-Y67 AromaticContact CD2-CG 3.56Å; Y39-Y67 HydrophobicContact CD2-CG 3.56Å; Y39-Y67 HydrophobicContact CE1-CD1 4.26Å; Y39-Y67 HydrophobicContact CE1-CE1 4.28Å; Y39-Y67 HydrophobicContact CE2-CD1 4.13Å; Y39-Y67 HydrophobicContact CE2-CG 4.2Å; Y39-Y67 AromaticContact CG-CD1 3.88Å; Y39-Y67 HydrophobicContact CG-CD1 3.88Å; Y39-Y67 AromaticContact CG-CD2 3.61Å; Y39-Y67 HydrophobicContact CG-CD2 3.61Å; Y39-Y67 HydrophobicContact CG-CE1 4.31Å; Y39-Y67 HydrophobicContact CG-CE2 4.06Å; Y39-Y67 AromaticContact CG-CG 3.5Å; Y39-Y67 HydrophobicContact CG-CG 3.5Å; I63-Y67 WeakPolarHBondContact O-CB 3.48Å; I63-Y67 PolarHBondContact O-N 2.78Å; E65-Y67 PolarHBondContact O-N 3.14Å; Y67-L70 PolarHBondContact O-N 3Å; Y67-T71 WeakPolarHBondContact CD2-OG1 3.32Å; Y67-T71 WeakPolarHBondContact CE2-OG1 3.46Å; Y67-T71 WeakPolarHBondContact O-CB 3.48Å; Y67-T71 PolarHBondContact O-N 3.21Å; Y67-T71 PolarHBondContact O-OG1 3.01Å
68	Q	59.2	Low	61.9	Low	82 Å²	82	61.2 Å²	61.2	38%	0.383	29%	0.291	S	S	.	.	H	α-helix	trans	-66.3	-42.1	177.1	-74.8	-174.3	59.9	0	0	112.3	N64 E65 A66 L70 N72	N64-Q68 WeakPolarHBondContact O-CG 3.43Å; N64-Q68 PolarHBondContact O-N 3.22Å; E65-Q68 PolarHBondContact O-N 3.12Å; A66-Q68 PolarHBondContact O-N 3.47Å; Q68-L70 VanDerWaalsContact C-N 3.32Å; Q68-L70 PolarHBondContact O-N 3.37Å; Q68-N72 PolarHBondContact O-N 3Å
69	Y	64.6	Low	61.2	Low	83 Å²	83	58.3 Å²	58.3	33%	0.325	28%	0.284	S	S	.	.	H	α-helix	trans	-58.7	-46.4	175.6	-177.1	-89.4	0	0	0	111.1	P20 E65 A66 N72	P20-Y69 HydrophobicContact CB-CD1 4Å; P20-Y69 HydrophobicContact CB-CG 4.45Å; P20-Y69 HydrophobicContact CG-CD1 3.44Å; P20-Y69 VanDerWaalsContact CG-CD1 3.44Å; P20-Y69 HydrophobicContact CG-CE1 3.76Å; P20-Y69 HydrophobicContact CG-CG 4.18Å; E65-Y69 WeakPolarHBondContact O-CB 3.13Å; E65-Y69 PolarHBondContact O-N 3.12Å; A66-Y69 PolarHBondContact O-N 3.17Å; Y69-N72 WeakPolarHBondContact O-CB 3.48Å
70	L	71.9	Confident	59.7	Low	5 Å²	5	60.1 Å²	60.1	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-79.3	-26	-174.3	-68.1	171.2	0	0	0	114.5	P20 Y21 L24 I26 I35 A66 Y67 Q68 N72	P20-L70 HydrophobicContact CB-CD1 3.98Å; P20-L70 HydrophobicContact CB-CD2 4.34Å; P20-L70 HydrophobicContact CB-CG 3.94Å; P20-L70 HydrophobicContact CG-CD2 4.22Å; P20-L70 HydrophobicContact CG-CG 4.35Å; P20-L70 WeakPolarHBondContact O-CD1 3.25Å; Y21-L70 HydrophobicContact CD1-CD1 4.32Å; Y21-L70 HydrophobicContact CD1-CD2 3.89Å; Y21-L70 HydrophobicContact CD2-CD2 4.11Å; Y21-L70 HydrophobicContact CE1-CD1 4.47Å; Y21-L70 HydrophobicContact CE1-CD2 3.34Å; Y21-L70 HydrophobicContact CE2-CD2 3.63Å; Y21-L70 HydrophobicContact CG-CD2 4.24Å; Y21-L70 WeakPolarHBondContact OH-CD2 3.22Å; L24-L70 HydrophobicContact CD1-CD1 3.57Å; L24-L70 HydrophobicContact CG-CD1 4.23Å; I26-L70 HydrophobicContact CD1-CD1 3.92Å; I35-L70 HydrophobicContact CD1-CB 4.06Å; I35-L70 HydrophobicContact CG1-CB 4.38Å; I35-L70 HydrophobicContact CG2-CB 3.93Å; A66-L70 WeakPolarHBondContact O-CB 3.43Å; A66-L70 WeakPolarHBondContact O-CD1 3.43Å; A66-L70 VanDerWaalsContact O-CG 3.22Å; A66-L70 WeakPolarHBondContact O-CG 3.31Å; A66-L70 PolarHBondContact O-N 2.71Å; Y67-L70 PolarHBondContact O-N 3Å; Q68-L70 VanDerWaalsContact C-N 3.32Å; Q68-L70 PolarHBondContact O-N 3.37Å; L70-N72 VanDerWaalsContact C-N 3.3Å
71	T	64.1	Low	58.3	Low	56 Å²	56	66.3 Å²	66.3	34%	0.344	32%	0.324	S	S	.	.	H	α-helix	trans	-85.1	-7	178.1	-48.9	0	0	0	0	112.1	Y67	Y67-T71 WeakPolarHBondContact CD2-OG1 3.32Å; Y67-T71 WeakPolarHBondContact CE2-OG1 3.46Å; Y67-T71 WeakPolarHBondContact O-CB 3.48Å; Y67-T71 PolarHBondContact O-N 3.21Å; Y67-T71 PolarHBondContact O-OG1 3.01Å
72	N	55.2	Low	57.1	Low	57 Å²	57	65 Å²	65	31%	0.305	33%	0.327	S	S	.	.			trans	-64.9	124.7	176.4	-169.9	-30.8	0	0	0	110.7	Q68 Y69 L70 N74 R75	Q68-N72 PolarHBondContact O-N 3Å; Y69-N72 WeakPolarHBondContact O-CB 3.48Å; L70-N72 VanDerWaalsContact C-N 3.3Å; N72-N74 PolarHBondContact O-N 2.85Å; N72-N74 VanDerWaalsContact O-N 3.09Å; N72-N74 PolarHBondContact OD1-N 2.77Å; N72-R75 VanDerWaalsContact O-CB 3.31Å; N72-R75 WeakPolarHBondContact O-CB 3.47Å; N72-R75 PolarHBondContact O-N 3.3Å
73	P	51.6	Low	55	Low	86 Å²	86	70.6 Å²	70.6	56%	0.558	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.3	-178.9	22.9	-33.3	0	0	0	113.6	R75	P73-R75 VanDerWaalsContact C-N 3.31Å; P73-R75 PolarHBondContact O-N 2.98Å
74	N	48.7	Very low	53	Low	65 Å²	65	80.5 Å²	80.5	35%	0.348	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	17.7	176.2	-73.9	-41.5	0	0	0	114.2	N72 H76 H77 A78	N72-N74 PolarHBondContact O-N 2.85Å; N72-N74 VanDerWaalsContact O-N 3.09Å; N72-N74 PolarHBondContact OD1-N 2.77Å; N74-H76 VanDerWaalsContact C-N 3.29Å; N74-H76 PolarHBondContact O-N 3.22Å; N74-H77 PolarHBondContact O-N 3.47Å; N74-A78 PolarHBondContact O-N 3.3Å
75	R	52.7	Low	51.3	Low	31 Å²	31	81.5 Å²	81.5	12%	0.117	40%	0.402	C	S	.	.	H	α-helix	trans	-41.2	-52.5	175.5	161.5	-177.9	158.4	-157.9	-15	113.2	Y21 A30 N72 P73 H77 A78 E79	Y21-R75 PolarHBondContact OH-NE 3.22Å; A30-R75 PolarHBondContact O-NH1 3.28Å; A30-R75 VanDerWaalsContact O-NH1 3.09Å; N72-R75 VanDerWaalsContact O-CB 3.31Å; N72-R75 WeakPolarHBondContact O-CB 3.47Å; N72-R75 PolarHBondContact O-N 3.3Å; P73-R75 VanDerWaalsContact C-N 3.31Å; P73-R75 PolarHBondContact O-N 2.98Å; R75-H77 VanDerWaalsContact C-N 3.26Å; R75-H77 PolarHBondContact O-N 3.08Å; R75-A78 PolarHBondContact O-N 2.98Å; R75-A78 VanDerWaalsContact O-N 3.08Å; R75-E79 WeakPolarHBondContact CG-OE1 2.97Å; R75-E79 IonicContact CZ-OE1 3.58Å; R75-E79 IonicContact NE-OE1 2.79Å; R75-E79 PolarHBondContact NE-OE1 2.94Å; R75-E79 PolarHBondContact O-N 3.46Å
76	H	49	Very low	49.5	Very low	130 Å²	130	85.8 Å²	85.8	60%	0.602	42%	0.42	S	S	*	.	H	α-helix	trans	-61.8	-33.6	-176.4	-77.1	-62.4	0	0	0	112.9	N74	N74-H76 VanDerWaalsContact C-N 3.29Å; N74-H76 PolarHBondContact O-N 3.22Å
77	H	40.6	Very low	47.5	Very low	127 Å²	127	90.1 Å²	90.1	59%	0.588	46%	0.455	S	S	*	.	H	α-helix	trans	-77.8	-33.9	175	-82.4	-59.2	0	0	0	112.8	N74 R75 Q80 F81	N74-H77 PolarHBondContact O-N 3.47Å; R75-H77 VanDerWaalsContact C-N 3.26Å; R75-H77 PolarHBondContact O-N 3.08Å; H77-Q80 PolarHBondContact O-N 3.5Å; H77-F81 PolarHBondContact O-N 3Å
78	A	45.1	Very low	45.4	Very low	18 Å²	18	92.9 Å²	92.9	15%	0.149	47%	0.469	C	S	.	.	H	α-helix	trans	-68	-39.7	177.7	0	0	0	0	0	112.3	N74 R75 Q80 G82	N74-A78 PolarHBondContact O-N 3.3Å; R75-A78 PolarHBondContact O-N 2.98Å; R75-A78 VanDerWaalsContact O-N 3.08Å; A78-Q80 VanDerWaalsContact C-N 3.27Å; A78-Q80 PolarHBondContact O-N 2.86Å; A78-G82 WeakPolarHBondContact O-CA 3.03Å; A78-G82 PolarHBondContact O-N 3.06Å; A78-G82 VanDerWaalsContact O-N 3.09Å
79	E	51.1	Low	44.1	Very low	93 Å²	93	93.9 Å²	93.9	44%	0.435	48%	0.481	S	S	.	.	H	α-helix	trans	-61.7	-35.5	173.9	-73.1	172.6	-151.1	0	0	111.8	Y21 R75	Y21-E79 PolarHBondContact OH-OE1 2.57Å; R75-E79 WeakPolarHBondContact CG-OE1 2.97Å; R75-E79 IonicContact CZ-OE1 3.58Å; R75-E79 IonicContact NE-OE1 2.79Å; R75-E79 PolarHBondContact NE-OE1 2.94Å; R75-E79 PolarHBondContact O-N 3.46Å
80	Q	43.9	Very low	42.6	Very low	139 Å²	139	98 Å²	98	65%	0.65	50%	0.501	S	S	*	.	H	α-helix	trans	-91.3	-28.9	-171.7	-150.5	173.2	37.6	0	0	114.3	H77 A78	H77-Q80 PolarHBondContact O-N 3.5Å; A78-Q80 VanDerWaalsContact C-N 3.27Å; A78-Q80 PolarHBondContact O-N 2.86Å
81	F	40.3	Very low	40.8	Very low	156 Å²	156	101.8 Å²	101.8	68%	0.684	53%	0.533	S	S	*	.	H	α-helix	trans	-137.4	6.8	-173.2	-69.5	-75.1	0	0	0	116	H77	H77-F81 PolarHBondContact O-N 3Å
82	G	35.5	Very low	39.2	Very low	41 Å²	41	105 Å²	105	42%	0.423	55%	0.549	S	S	.	.			trans	72.1	154.4	-175	0	0	0	0	0	113	A78 R84	A78-G82 WeakPolarHBondContact O-CA 3.03Å; A78-G82 PolarHBondContact O-N 3.06Å; A78-G82 VanDerWaalsContact O-N 3.09Å; G82-R84 PolarHBondContact O-N 3.35Å
83	F	29.6	Very low	38.5	Very low	148 Å²	148	108.3 Å²	108.3	65%	0.649	56%	0.56	S	S	*	*			trans	-50	116.4	-167.3	-167.9	-98.7	0	0	0	114.9
84	R	32.7	Very low	37.4	Very low	213 Å²	213	105.2 Å²	105.2	80%	0.804	54%	0.544	S	S	*	.			trans	-129.6	85.3	169.8	-80.5	-178.2	153	168	-4.9	110.4	G82	G82-R84 PolarHBondContact O-N 3.35Å
85	G	28.6	Very low	36.5	Very low	41 Å²	41	110.2 Å²	110.2	42%	0.423	57%	0.565	S	S	.	*			trans	-61.7	132.6	-176.5	0	0	0	0	0	115.3
86	K	27	Very low	35.6	Very low	181 Å²	181	115.1 Å²	115.1	79%	0.787	59%	0.588	S	S	*	*			trans	-115.9	139.9	151.3	-79.8	-175.7	178.8	176.5	0	107.8
87	A	31.2	Very low	34.7	Very low	94 Å²	94	111.1 Å²	111.1	78%	0.777	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-76.5	126	-175	0	0	0	0	0	111.6
88	H	30.8	Very low	34.2	Very low	104 Å²	104	112.8 Å²	112.8	48%	0.481	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-93.2	142.5	159.9	-74.1	-85.9	0	0	0	109.6	F93	H88-F93 HydrophobicContact CB-CE2 4.35Å
89	T	31.3	Very low	33.5	Very low	103 Å²	103	120 Å²	120	63%	0.632	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-77.3	144.4	175.7	35.5	0	0	0	0	111.3	A91 D92	T89-A91 PolarHBondContact O-N 2.87Å; T89-D92 PolarHBondContact O-N 2.56Å
90	F	34.2	Very low	33	Very low	169 Å²	169	121.6 Å²	121.6	74%	0.741	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-56.5	-19	-177.6	-175	-97.4	0	0	0	114.8	D92 F93	F90-D92 PolarHBondContact O-N 3.07Å; F90-F93 PolarHBondContact O-N 2.77Å
91	A	33.3	Very low	32.6	Very low	85 Å²	85	117.1 Å²	117.1	70%	0.702	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-56.8	-32.8	179.8	0	0	0	0	0	113.2	T89 F93	T89-A91 PolarHBondContact O-N 2.87Å; A91-F93 VanDerWaalsContact C-N 3.31Å; A91-F93 PolarHBondContact O-N 3.4Å
92	D	31.8	Very low	32.3	Very low	125 Å²	125	112.9 Å²	112.9	67%	0.668	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-80.7	-10.9	-178.9	-63.8	-28.1	0	0	0	113.5	T89 F90	T89-D92 PolarHBondContact O-N 2.56Å; F90-D92 PolarHBondContact O-N 3.07Å
93	F	38.6	Very low	32.5	Very low	125 Å²	125	115.2 Å²	115.2	55%	0.548	61%	0.608	S	S	.	*	G	3₁₀ helix	trans	-104.7	1	-176.5	-73.8	-85.7	0	0	0	113.9	H88 F90 A91 H95	H88-F93 HydrophobicContact CB-CE2 4.35Å; F90-F93 PolarHBondContact O-N 2.77Å; A91-F93 VanDerWaalsContact C-N 3.31Å; A91-F93 PolarHBondContact O-N 3.4Å; F93-H95 PolarHBondContact O-N 3.14Å
94	G	29	Very low	32.8	Very low	22 Å²	22	109.3 Å²	109.3	23%	0.227	58%	0.582	C	S	.	*	T	Hydrogen-bonded Turn	trans	-60.1	-6.2	-168	0	0	0	0	0	117.2	Y98	G94-Y98 VanDerWaalsContact O-CD2 3.3Å; G94-Y98 WeakPolarHBondContact O-CD2 3.37Å; G94-Y98 WeakPolarHBondContact O-CE2 3.48Å
95	H	29.4	Very low	33.1	Very low	170 Å²	170	103.3 Å²	103.3	79%	0.787	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	-1.5	-170.9	-77	-61.4	0	0	0	118	F93	F93-H95 PolarHBondContact O-N 3.14Å
96	F	34.1	Very low	33.8	Very low	134 Å²	134	104.2 Å²	104.2	59%	0.588	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.2	-8.8	179	-91.9	-83.1	0	0	0	117	Y98	F96-Y98 PolarHBondContact O-N 3.07Å
97	G	31.1	Very low	34.6	Very low	45 Å²	45	95.8 Å²	95.8	46%	0.464	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-74.5	-5.3	170.8	0	0	0	0	0	114.6	Q99 F100 A101	G97-Q99 VanDerWaalsContact C-N 3.33Å; G97-Q99 PolarHBondContact O-N 3.2Å; G97-F100 PolarHBondContact O-N 2.98Å; G97-A101 WeakPolarHBondContact O-CB 3.44Å; G97-A101 PolarHBondContact O-N 3.14Å
98	Y	30	Very low	35.2	Very low	162 Å²	162	94 Å²	94	64%	0.635	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-66.6	-21.1	-165.1	-104.1	-83.5	0	0	0	116	G94 F96	G94-Y98 VanDerWaalsContact O-CD2 3.3Å; G94-Y98 WeakPolarHBondContact O-CD2 3.37Å; G94-Y98 WeakPolarHBondContact O-CE2 3.48Å; F96-Y98 PolarHBondContact O-N 3.07Å
99	Q	31.1	Very low	35.9	Very low	171 Å²	171	96.8 Å²	96.8	80%	0.799	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-98	-17.1	-178.9	-96.8	177.4	-21.2	0	0	115.3	G97	G97-Q99 VanDerWaalsContact C-N 3.33Å; G97-Q99 PolarHBondContact O-N 3.2Å
100	F	39.3	Very low	36.6	Very low	125 Å²	125	97.7 Å²	97.7	55%	0.548	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-17.8	-173.2	-66.2	-74.6	0	0	0	114.5	H47 G97 A102	H47-F100 AromaticContact CD2-CE1 3.76Å; H47-F100 AromaticContact NE2-CE1 3.38Å; H47-F100 WeakPolarHBondContact NE2-CE1 3.43Å; G97-F100 PolarHBondContact O-N 2.98Å; F100-A102 VanDerWaalsContact C-N 3.29Å
101	A	35.1	Very low	37.2	Very low	46 Å²	46	90.3 Å²	90.3	38%	0.38	48%	0.482	S	S	.	.			trans	-89.8	10.9	174.9	0	0	0	0	0	113.3	G97 F104 Q105	G97-A101 WeakPolarHBondContact O-CB 3.44Å; G97-A101 PolarHBondContact O-N 3.14Å; A101-F104 CarbonylContact O-C 3.56Å; A101-F104 WeakPolarHBondContact O-CA 3.3Å; A101-F104 WeakPolarHBondContact O-CB 3.22Å; A101-F104 PolarHBondContact O-N 2.86Å; A101-Q105 PolarHBondContact O-N 3.03Å; A101-Q105 VanDerWaalsContact O-N 3.15Å
102	A	35.7	Very low	37.9	Very low	67 Å²	67	91.1 Å²	91.1	55%	0.554	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-40.5	-176.7	0	0	0	0	0	113.6	F100 F104 Q105	F100-A102 VanDerWaalsContact C-N 3.29Å; A102-F104 PolarHBondContact O-N 3.23Å; A102-Q105 PolarHBondContact O-N 3.31Å
103	P	37.8	Very low	39.2	Very low	89 Å²	89	92.3 Å²	92.3	58%	0.578	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-19.5	174	-14.6	29.4	0	0	0	112.8
104	F	38	Very low	40.8	Very low	24 Å²	24	89.8 Å²	89.8	11%	0.105	47%	0.473	C	S	.	.	H	α-helix	trans	-92.5	-9.2	-176.5	-133.9	-86.6	0	0	0	113.7	A101 A102 S106 F107 T108 Y139 G141 I147	A101-F104 CarbonylContact O-C 3.56Å; A101-F104 WeakPolarHBondContact O-CA 3.3Å; A101-F104 WeakPolarHBondContact O-CB 3.22Å; A101-F104 PolarHBondContact O-N 2.86Å; A102-F104 PolarHBondContact O-N 3.23Å; F104-S106 VanDerWaalsContact C-N 3.32Å; F104-S106 PolarHBondContact O-N 3.08Å; F104-F107 HydrophobicContact CD1-CB 4.32Å; F104-F107 HydrophobicContact CE1-CB 4.11Å; F104-F107 HydrophobicContact CE1-CG 4.49Å; F104-F107 HydrophobicContact CZ-CB 4.45Å; F104-T108 HydrophobicContact CD1-CG2 3.86Å; F104-T108 HydrophobicContact CE1-CG2 4.21Å; F104-T108 PolarHBondContact O-N 2.83Å; F104-T108 VanDerWaalsContact O-N 3.12Å; F104-T108 PolarHBondContact O-OG1 3.03Å; F104-Y139 HydrophobicContact CE1-CD2 4.01Å; F104-Y139 AromaticContact CE1-CE2 3.63Å; F104-Y139 HydrophobicContact CE1-CE2 3.63Å; F104-Y139 AromaticContact CZ-CD2 3.77Å; F104-Y139 HydrophobicContact CZ-CD2 3.77Å; F104-Y139 AromaticContact CZ-CE2 3.91Å; F104-Y139 HydrophobicContact CZ-CE2 3.91Å; F104-G141 VanDerWaalsContact CD2-O 3.29Å; F104-G141 WeakPolarHBondContact CD2-O 3.35Å; F104-G141 VanDerWaalsContact CE2-O 3.27Å; F104-G141 WeakPolarHBondContact CE2-O 3.29Å; F104-G141 VanDerWaalsContact CZ-CA 3.43Å; F104-I147 HydrophobicContact CD2-CD1 3.95Å; F104-I147 HydrophobicContact CD2-CG1 3.89Å; F104-I147 HydrophobicContact CE2-CD1 3.98Å; F104-I147 HydrophobicContact CE2-CG1 3.55Å
105	Q	38.5	Very low	43.3	Very low	88 Å²	88	93.5 Å²	93.5	41%	0.411	48%	0.48	S	S	.	.	H	α-helix	trans	-66.3	-34.9	175.6	-82.2	-167.7	-1	0	0	111.9	A101 A102 T108 K109	A101-Q105 PolarHBondContact O-N 3.03Å; A101-Q105 VanDerWaalsContact O-N 3.15Å; A102-Q105 PolarHBondContact O-N 3.31Å; Q105-T108 WeakPolarHBondContact CA-OG1 3.38Å; Q105-T108 PolarHBondContact O-N 3.38Å; Q105-T108 PolarHBondContact O-OG1 2.91Å; Q105-K109 WeakPolarHBondContact O-CB 3.34Å; Q105-K109 PolarHBondContact O-N 2.99Å
106	S	43.6	Very low	46	Very low	59 Å²	59	85.5 Å²	85.5	41%	0.413	44%	0.443	S	S	.	.	H	α-helix	trans	-62.6	-47.8	178	-171.4	0	0	0	0	111.2	F104 T108 K109 H110 E150	F104-S106 VanDerWaalsContact C-N 3.32Å; F104-S106 PolarHBondContact O-N 3.08Å; S106-T108 VanDerWaalsContact C-N 3.32Å; S106-T108 PolarHBondContact O-N 3.23Å; S106-K109 PolarHBondContact O-N 3.19Å; S106-H110 PolarHBondContact O-N 3.35Å; S106-H110 PolarHBondContact O-ND1 2.84Å; S106-E150 WeakPolarHBondContact CB-OE1 3.42Å; S106-E150 PolarHBondContact OG-OE1 3.4Å
107	F	42.2	Very low	48.5	Very low	4 Å²	4	82.7 Å²	82.7	2%	0.018	43%	0.434	C	S	.	.	H	α-helix	trans	-62.2	-38	178.6	-144.6	-81.3	0	0	0	112.4	F104 N111 F137 Y139 E150	F104-F107 HydrophobicContact CD1-CB 4.32Å; F104-F107 HydrophobicContact CE1-CB 4.11Å; F104-F107 HydrophobicContact CE1-CG 4.49Å; F104-F107 HydrophobicContact CZ-CB 4.45Å; F107-N111 WeakPolarHBondContact CD1-ND2 3.44Å; F107-N111 WeakPolarHBondContact CE1-ND2 3.41Å; F107-N111 WeakPolarHBondContact O-CB 3.42Å; F107-N111 PolarHBondContact O-N 2.84Å; F107-N111 PolarHBondContact O-ND2 2.95Å; F107-F137 HydrophobicContact CE1-CD1 4.22Å; F107-F137 AromaticContact CE1-CE1 3.9Å; F107-F137 HydrophobicContact CE1-CE1 3.9Å; F107-F137 HydrophobicContact CE2-CE1 4.45Å; F107-F137 HydrophobicContact CZ-CD1 4.01Å; F107-F137 AromaticContact CZ-CE1 3.44Å; F107-F137 HydrophobicContact CZ-CE1 3.44Å; F107-F137 VanDerWaalsContact CZ-CE1 3.44Å; F107-F137 HydrophobicContact CZ-CZ 4.4Å; F107-Y139 HydrophobicContact CD1-CE2 4.5Å; F107-Y139 HydrophobicContact CE1-CD1 4.14Å; F107-Y139 HydrophobicContact CE1-CE1 4.41Å; F107-Y139 HydrophobicContact CE1-CG 4.19Å; F107-E150 WeakPolarHBondContact CA-OE1 3.38Å; F107-E150 HydrophobicContact CD2-CB 3.54Å; F107-E150 VanDerWaalsContact CD2-CD 3.43Å; F107-E150 HydrophobicContact CD2-CG 3.38Å; F107-E150 WeakPolarHBondContact CD2-OE2 3.39Å; F107-E150 HydrophobicContact CE2-CB 3.47Å; F107-E150 VanDerWaalsContact CE2-CB 3.47Å; F107-E150 HydrophobicContact CE2-CG 3.63Å; F107-E150 HydrophobicContact CG-CG 4.39Å; F107-E150 PolarHBondContact N-OE1 2.89Å
108	T	44.2	Very low	51.1	Low	56 Å²	56	82.3 Å²	82.3	34%	0.344	42%	0.421	S	S	.	.	H	α-helix	trans	-80.9	-36.8	-178.7	50.3	0	0	0	0	113.2	F104 Q105 S106 H110 N111 V112	F104-T108 HydrophobicContact CD1-CG2 3.86Å; F104-T108 HydrophobicContact CE1-CG2 4.21Å; F104-T108 PolarHBondContact O-N 2.83Å; F104-T108 VanDerWaalsContact O-N 3.12Å; F104-T108 PolarHBondContact O-OG1 3.03Å; Q105-T108 WeakPolarHBondContact CA-OG1 3.38Å; Q105-T108 PolarHBondContact O-N 3.38Å; Q105-T108 PolarHBondContact O-OG1 2.91Å; S106-T108 VanDerWaalsContact C-N 3.32Å; S106-T108 PolarHBondContact O-N 3.23Å; T108-H110 PolarHBondContact O-N 3.09Å; T108-N111 PolarHBondContact O-N 2.9Å; T108-V112 WeakPolarHBondContact O-CG2 3.37Å; T108-V112 PolarHBondContact O-N 3.38Å
109	K	45.3	Very low	53.6	Low	164 Å²	164	84 Å²	84	71%	0.713	43%	0.426	S	S	*	.	H	α-helix	trans	-60.1	-45.6	179.7	-116.7	-179.2	176.2	-179.3	0	111.9	Q105 S106	Q105-K109 WeakPolarHBondContact O-CB 3.34Å; Q105-K109 PolarHBondContact O-N 2.99Å; S106-K109 PolarHBondContact O-N 3.19Å
110	H	46	Very low	56.2	Low	122 Å²	122	77.9 Å²	77.9	57%	0.565	40%	0.402	S	S	*	.	H	α-helix	trans	-78.1	-26	179.2	-64.9	89.1	0	0	0	112.6	S106 T108 F114	S106-H110 PolarHBondContact O-N 3.35Å; S106-H110 PolarHBondContact O-ND1 2.84Å; T108-H110 PolarHBondContact O-N 3.09Å; H110-F114 WeakPolarHBondContact O-CD2 3.28Å
111	N	47.7	Very low	58.6	Low	13 Å²	13	72.5 Å²	72.5	7%	0.07	38%	0.379	C	S	.	.	H	α-helix	trans	-86.9	-8.9	179.6	-86	-54.7	0	0	0	116.1	F107 T108 D113 F114 R115 T169	F107-N111 WeakPolarHBondContact CD1-ND2 3.44Å; F107-N111 WeakPolarHBondContact CE1-ND2 3.41Å; F107-N111 WeakPolarHBondContact O-CB 3.42Å; F107-N111 PolarHBondContact O-N 2.84Å; F107-N111 PolarHBondContact O-ND2 2.95Å; T108-N111 PolarHBondContact O-N 2.9Å; N111-D113 PolarHBondContact O-N 2.81Å; N111-F114 CarbonylContact O-C 3.38Å; N111-F114 PolarHBondContact O-N 2.93Å; N111-R115 WeakPolarHBondContact O-CB 3.43Å; N111-R115 PolarHBondContact O-N 3.42Å; N111-T169 WeakPolarHBondContact CB-OG1 3.31Å; N111-T169 WeakPolarHBondContact OD1-CB 3.48Å; N111-T169 WeakPolarHBondContact OD1-CG2 3.41Å; N111-T169 PolarHBondContact OD1-OG1 3.31Å
112	V	48.7	Very low	61.1	Low	102 Å²	102	75.2 Å²	75.2	62%	0.618	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-41.1	-179.7	-168.8	0	0	0	0	110.4	T108 F114 R115	T108-V112 WeakPolarHBondContact O-CG2 3.37Å; T108-V112 PolarHBondContact O-N 3.38Å; V112-F114 VanDerWaalsContact C-N 3.3Å; V112-F114 PolarHBondContact O-N 2.91Å; V112-R115 PolarHBondContact O-N 3.38Å
113	D	57.4	Low	63.6	Low	151 Å²	151	76.8 Å²	76.8	81%	0.807	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-25.4	-180	-66.7	-17.8	0	0	0	113.3	N111	N111-D113 PolarHBondContact O-N 2.81Å
114	F	72.8	Confident	66	Low	71 Å²	71	77.4 Å²	77.4	31%	0.311	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-2.6	-179.6	-65.2	-67.8	0	0	0	113.3	H110 N111 V112 V116 V157 V167 G168 T169	H110-F114 WeakPolarHBondContact O-CD2 3.28Å; N111-F114 CarbonylContact O-C 3.38Å; N111-F114 PolarHBondContact O-N 2.93Å; V112-F114 VanDerWaalsContact C-N 3.3Å; V112-F114 PolarHBondContact O-N 2.91Å; F114-V116 PolarHBondContact O-N 3.47Å; F114-V157 HydrophobicContact CE2-CG1 4.38Å; F114-V157 HydrophobicContact CZ-CG1 4.22Å; F114-V167 WeakPolarHBondContact CD1-O 3.5Å; F114-G168 CarbonylContact O-C 3.33Å; F114-G168 WeakPolarHBondContact O-CA 3.46Å; F114-T169 PolarHBondContact O-N 3.2Å
115	R	82.3	Confident	68.5	Low	101 Å²	101	76.4 Å²	76.4	38%	0.381	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-69.7	119.1	-173.7	-175.1	175.1	175.3	170.6	-1.5	110.9	N111 V112 L117 T169	N111-R115 WeakPolarHBondContact O-CB 3.43Å; N111-R115 PolarHBondContact O-N 3.42Å; V112-R115 PolarHBondContact O-N 3.38Å; R115-L117 HydrophobicContact CG-CD2 4.27Å; R115-T169 CarbonylContact C-O 3.48Å; R115-T169 WeakPolarHBondContact CA-O 3.42Å
116	V	85.8	Confident	71	Confident	1 Å²	1	74.6 Å²	74.6	1%	0.006	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-96.8	119.9	176.5	-179.4	0	0	0	0	109.6	F114 V125 Y134 T169 V170 L178	F114-V116 PolarHBondContact O-N 3.47Å; V116-V125 HydrophobicContact CG1-CG2 3.83Å; V116-V125 HydrophobicContact CG2-CG2 4.19Å; V116-Y134 HydrophobicContact CG2-CE1 4.11Å; V116-T169 PolarHBondContact N-O 3.22Å; V116-V170 HydrophobicContact CB-CG2 3.88Å; V116-V170 HydrophobicContact CG1-CG2 4.43Å; V116-L178 HydrophobicContact CG1-CD2 4.15Å
117	L	86.8	Confident	73.2	Confident	75 Å²	75	77.9 Å²	77.9	39%	0.393	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-95.6	158.8	169.9	-52.1	176.9	0	0	0	109.8	R115 R119 S120 Y121 E175	R115-L117 HydrophobicContact CG-CD2 4.27Å; L117-R119 VanDerWaalsContact C-N 3.26Å; L117-R119 PolarHBondContact O-N 3.39Å; L117-R119 VanDerWaalsContact O-N 3.15Å; L117-S120 PolarHBondContact O-N 3.01Å; L117-Y121 PolarHBondContact O-N 2.96Å; L117-E175 HydrophobicContact CD2-CG 4.47Å; L117-E175 VanDerWaalsContact CD2-OE1 3.24Å; L117-E175 WeakPolarHBondContact CD2-OE1 3.37Å
118	L	84.9	Confident	75.6	Confident	37 Å²	37	80.2 Å²	80.2	19%	0.194	38%	0.382	C	S	.	.	H	α-helix	trans	-50.1	-42.7	178.4	-179.1	63.3	0	0	0	113.8	Y121 Q122 E175 K177 L178 E181	L118-Y121 HydrophobicContact CD1-CD1 4.48Å; L118-Y121 WeakPolarHBondContact O-CB 3.38Å; L118-Y121 PolarHBondContact O-N 3.41Å; L118-Q122 WeakPolarHBondContact O-CG 3.47Å; L118-Q122 PolarHBondContact O-N 2.97Å; L118-Q122 VanDerWaalsContact O-N 3.12Å; L118-E175 WeakPolarHBondContact CB-OE2 3.41Å; L118-E175 PolarHBondContact N-OE2 2.86Å; L118-K177 HydrophobicContact CD2-CB 4.1Å; L118-K177 HydrophobicContact CD2-CD 4.22Å; L118-L178 HydrophobicContact CD1-CB 4.09Å; L118-L178 HydrophobicContact CD1-CD1 4.24Å; L118-E181 WeakPolarHBondContact CD1-OE2 3.46Å
119	R	82.2	Confident	77.9	Confident	197 Å²	197	77.7 Å²	77.7	74%	0.743	37%	0.366	S	S	*	.	H	α-helix	trans	-64.5	-47.1	177.7	-66.8	-176.2	-177.9	-179.3	-0.5	112	L117 Y121 Q122 E123	L117-R119 VanDerWaalsContact C-N 3.26Å; L117-R119 PolarHBondContact O-N 3.39Å; L117-R119 VanDerWaalsContact O-N 3.15Å; R119-Y121 VanDerWaalsContact C-N 3.26Å; R119-Y121 PolarHBondContact O-N 2.82Å; R119-Q122 PolarHBondContact O-N 3.34Å; R119-E123 WeakPolarHBondContact O-CB 3.3Å; R119-E123 WeakPolarHBondContact O-CG 3.13Å; R119-E123 PolarHBondContact O-N 3.28Å
120	S	86.8	Confident	80	Confident	43 Å²	43	78.1 Å²	78.1	30%	0.301	36%	0.364	S	S	.	.	H	α-helix	trans	-61.4	-38.2	177.4	-177.2	0	0	0	0	111.4	L117 H124 V125	L117-S120 PolarHBondContact O-N 3.01Å; S120-H124 WeakPolarHBondContact O-CA 3.24Å; S120-H124 WeakPolarHBondContact O-CB 3.48Å; S120-H124 PolarHBondContact O-N 3.41Å; S120-V125 PolarHBondContact O-N 2.95Å; S120-V125 VanDerWaalsContact O-N 3.09Å
121	Y	88.3	Confident	82	Confident	13 Å²	13	74.3 Å²	74.3	5%	0.051	35%	0.351	C	S	.	.	I	π-helix	trans	-57	-52.7	174.2	166.5	-102	0	0	0	111.9	L117 L118 R119 V125 L126 L178 E181 L182 L193	L117-Y121 PolarHBondContact O-N 2.96Å; L118-Y121 HydrophobicContact CD1-CD1 4.48Å; L118-Y121 WeakPolarHBondContact O-CB 3.38Å; L118-Y121 PolarHBondContact O-N 3.41Å; R119-Y121 VanDerWaalsContact C-N 3.26Å; R119-Y121 PolarHBondContact O-N 2.82Å; Y121-V125 HydrophobicContact CD2-CB 4.17Å; Y121-V125 HydrophobicContact CD2-CG1 4.16Å; Y121-V125 PolarHBondContact O-N 3.41Å; Y121-L126 HydrophobicContact CD2-CG 4.44Å; Y121-L126 HydrophobicContact CE1-CD1 3.98Å; Y121-L126 HydrophobicContact CE1-CD2 4.36Å; Y121-L126 HydrophobicContact CE1-CG 4.11Å; Y121-L126 HydrophobicContact CE2-CD2 3.8Å; Y121-L126 HydrophobicContact CE2-CG 4.02Å; Y121-L126 WeakPolarHBondContact O-CG 3.39Å; Y121-L126 PolarHBondContact O-N 2.85Å; Y121-L178 HydrophobicContact CD1-CD1 3.45Å; Y121-L178 VanDerWaalsContact CD1-CD1 3.45Å; Y121-L178 HydrophobicContact CD2-CD1 3.83Å; Y121-L178 HydrophobicContact CE1-CD1 3.88Å; Y121-L178 HydrophobicContact CE2-CD1 4.19Å; Y121-L178 HydrophobicContact CG-CD1 3.43Å; Y121-L178 VanDerWaalsContact CG-CD1 3.43Å; Y121-E181 HydrophobicContact CE1-CG 4.45Å; Y121-E181 WeakPolarHBondContact CE1-OE1 3.43Å; Y121-L182 HydrophobicContact CD2-CD1 4.5Å; Y121-L182 HydrophobicContact CE2-CD1 4.03Å; Y121-L182 HydrophobicContact CE2-CD2 4.16Å; Y121-L182 HydrophobicContact CE2-CG 4.42Å; Y121-L182 WeakPolarHBondContact OH-CD2 3.49Å; Y121-L193 HydrophobicContact CD2-CD1 4.12Å; Y121-L193 HydrophobicContact CE2-CD1 3.61Å
122	Q	88.4	Confident	84.1	Confident	102 Å²	102	77.3 Å²	77.3	48%	0.477	36%	0.361	S	S	.	.	I	π-helix	trans	-67.3	-40.6	-177.1	-68.7	176.9	-20.9	0	0	112.7	L118 R119	L118-Q122 WeakPolarHBondContact O-CG 3.47Å; L118-Q122 PolarHBondContact O-N 2.97Å; L118-Q122 VanDerWaalsContact O-N 3.12Å; R119-Q122 PolarHBondContact O-N 3.34Å
123	E	87.5	Confident	86.4	Confident	101 Å²	101	72.5 Å²	72.5	47%	0.472	33%	0.332	S	S	.	.	I	π-helix	trans	-85.9	-35	-172.4	-69.5	172.7	-174.2	0	0	113.9	R119 K127	R119-E123 WeakPolarHBondContact O-CB 3.3Å; R119-E123 WeakPolarHBondContact O-CG 3.13Å; R119-E123 PolarHBondContact O-N 3.28Å; E123-K127 WeakPolarHBondContact O-CD 3.18Å; E123-K127 WeakPolarHBondContact O-CE 3.18Å; E123-K127 PolarHBondContact O-NZ 3.1Å
124	H	88.7	Confident	88.2	Confident	102 Å²	102	66.5 Å²	66.5	47%	0.472	30%	0.298	S	S	.	.	I	π-helix	trans	-121.8	-54.9	-168.9	-60.6	93.9	0	0	0	112.4	S120 L126 K127 I128	S120-H124 WeakPolarHBondContact O-CA 3.24Å; S120-H124 WeakPolarHBondContact O-CB 3.48Å; S120-H124 PolarHBondContact O-N 3.41Å; H124-L126 PolarHBondContact O-N 2.86Å; H124-K127 WeakPolarHBondContact O-CB 3.49Å; H124-K127 PolarHBondContact O-N 3.27Å; H124-I128 WeakPolarHBondContact O-CG1 3.49Å; H124-I128 PolarHBondContact O-N 3.21Å
125	V	91.3	Very high	89.4	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.012	28%	0.283	C	S	.	.	I	π-helix	trans	-60.8	-45.1	-174.3	179.8	0	0	0	0	111.1	V116 S120 Y121 K127 I128 S129 Y134 I136 L193	V116-V125 HydrophobicContact CG1-CG2 3.83Å; V116-V125 HydrophobicContact CG2-CG2 4.19Å; S120-V125 PolarHBondContact O-N 2.95Å; S120-V125 VanDerWaalsContact O-N 3.09Å; Y121-V125 HydrophobicContact CD2-CB 4.17Å; Y121-V125 HydrophobicContact CD2-CG1 4.16Å; Y121-V125 PolarHBondContact O-N 3.41Å; V125-K127 PolarHBondContact O-N 2.91Å; V125-I128 PolarHBondContact O-N 2.84Å; V125-S129 VanDerWaalsContact O-CB 3.29Å; V125-S129 WeakPolarHBondContact O-CB 3.33Å; V125-S129 PolarHBondContact O-N 3.08Å; V125-S129 PolarHBondContact O-OG 3.04Å; V125-Y134 HydrophobicContact CB-CE2 4.49Å; V125-Y134 HydrophobicContact CG1-CD1 3.65Å; V125-Y134 HydrophobicContact CG1-CD2 3.82Å; V125-Y134 HydrophobicContact CG1-CE1 3.91Å; V125-Y134 HydrophobicContact CG1-CE2 4.08Å; V125-Y134 HydrophobicContact CG1-CG 3.61Å; V125-Y134 HydrophobicContact CG2-CE1 4.27Å; V125-Y134 HydrophobicContact CG2-CE2 4.1Å; V125-I136 HydrophobicContact CG1-CD1 4.39Å; V125-L193 HydrophobicContact CG1-CD1 3.65Å
126	L	90	Very high	90	Very high	51 Å²	51	58.3 Å²	58.3	27%	0.267	27%	0.265	S	S	.	.	H	α-helix	trans	-63.3	-24.4	176.3	-75.9	-176	0	0	0	114.2	Y121 H124 S129 R130	Y121-L126 HydrophobicContact CD2-CG 4.44Å; Y121-L126 HydrophobicContact CE1-CD1 3.98Å; Y121-L126 HydrophobicContact CE1-CD2 4.36Å; Y121-L126 HydrophobicContact CE1-CG 4.11Å; Y121-L126 HydrophobicContact CE2-CD2 3.8Å; Y121-L126 HydrophobicContact CE2-CG 4.02Å; Y121-L126 WeakPolarHBondContact O-CG 3.39Å; Y121-L126 PolarHBondContact O-N 2.85Å; H124-L126 PolarHBondContact O-N 2.86Å; L126-S129 WeakPolarHBondContact CA-OG 3.3Å; L126-S129 PolarHBondContact O-OG 3Å; L126-R130 WeakPolarHBondContact O-CG 3.46Å; L126-R130 PolarHBondContact O-NE 3.48Å
127	K	89.8	Confident	90.3	Very high	128 Å²	128	58.3 Å²	58.3	56%	0.557	27%	0.265	S	S	*	.	H	α-helix	trans	-79.9	-45.7	174.9	-66.4	-178.3	-172	147.7	0	110.7	E123 H124 V125 S129 R130	E123-K127 WeakPolarHBondContact O-CD 3.18Å; E123-K127 WeakPolarHBondContact O-CE 3.18Å; E123-K127 PolarHBondContact O-NZ 3.1Å; H124-K127 WeakPolarHBondContact O-CB 3.49Å; H124-K127 PolarHBondContact O-N 3.27Å; V125-K127 PolarHBondContact O-N 2.91Å; K127-S129 VanDerWaalsContact C-N 3.33Å; K127-S129 PolarHBondContact O-N 2.84Å; K127-R130 WeakPolarHBondContact O-CB 3.37Å; K127-R130 PolarHBondContact O-N 3.29Å
128	I	92.3	Very high	90.6	Very high	53 Å²	53	54.8 Å²	54.8	27%	0.272	25%	0.246	S	C	.	.	H	α-helix	trans	-62	-43.3	178	-66.3	164.7	0	0	0	110.4	H124 V125 R130 S131 R132 Y134	H124-I128 WeakPolarHBondContact O-CG1 3.49Å; H124-I128 PolarHBondContact O-N 3.21Å; V125-I128 PolarHBondContact O-N 2.84Å; I128-R130 PolarHBondContact O-N 2.91Å; I128-S131 PolarHBondContact O-N 2.7Å; I128-S131 VanDerWaalsContact O-N 3.09Å; I128-S131 PolarHBondContact O-OG 3.23Å; I128-R132 HydrophobicContact CG2-CG 3.56Å; I128-R132 PolarHBondContact O-N 3.05Å; I128-R132 VanDerWaalsContact O-N 3.15Å; I128-Y134 HydrophobicContact CB-CD2 4.44Å; I128-Y134 HydrophobicContact CG2-CD2 4.05Å
129	S	93.3	Very high	90.7	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.014	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-14.9	-177.1	71.7	0	0	0	0	114.2	V125 L126 K127 R132 F194 N195	V125-S129 VanDerWaalsContact O-CB 3.29Å; V125-S129 WeakPolarHBondContact O-CB 3.33Å; V125-S129 PolarHBondContact O-N 3.08Å; V125-S129 PolarHBondContact O-OG 3.04Å; L126-S129 WeakPolarHBondContact CA-OG 3.3Å; L126-S129 PolarHBondContact O-OG 3Å; K127-S129 VanDerWaalsContact C-N 3.33Å; K127-S129 PolarHBondContact O-N 2.84Å; S129-R132 CarbonylContact C-O 3.59Å; S129-R132 WeakPolarHBondContact CA-O 3.4Å; S129-F194 CarbonylContact O-C 3.56Å; S129-F194 WeakPolarHBondContact O-CA 3.42Å; S129-N195 PolarHBondContact O-N 2.87Å
130	R	89.7	Confident	90.7	Very high	174 Å²	174	44.6 Å²	44.6	66%	0.657	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-34	175	-68.5	171.9	-174.1	-177.8	-1	112.9	L126 K127 I128	L126-R130 WeakPolarHBondContact O-CG 3.46Å; L126-R130 PolarHBondContact O-NE 3.48Å; K127-R130 WeakPolarHBondContact O-CB 3.37Å; K127-R130 PolarHBondContact O-N 3.29Å; I128-R130 PolarHBondContact O-N 2.91Å
131	S	87.4	Confident	90	Very high	41 Å²	41	43.8 Å²	43.8	29%	0.287	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-23.4	-175.1	57.8	0	0	0	0	114.1	I128 S265 Q266	I128-S131 PolarHBondContact O-N 2.7Å; I128-S131 VanDerWaalsContact O-N 3.09Å; I128-S131 PolarHBondContact O-OG 3.23Å; S131-S265 CarbonylContact O-C 3.33Å; S131-S265 PolarHBondContact O-OG 3.29Å; S131-Q266 WeakPolarHBondContact O-CA 3.33Å; S131-Q266 PolarHBondContact O-N 3.11Å
132	R	92.9	Very high	89.3	Confident	77 Å²	77	47 Å²	47	29%	0.291	22%	0.224	S	C	.	.	S	Bend	trans	-147.4	152.4	-178.3	69.2	176.7	85.5	136.2	0.6	109.7	I128 S129 S166 V262	I128-R132 HydrophobicContact CG2-CG 3.56Å; I128-R132 PolarHBondContact O-N 3.05Å; I128-R132 VanDerWaalsContact O-N 3.15Å; S129-R132 CarbonylContact C-O 3.59Å; S129-R132 WeakPolarHBondContact CA-O 3.4Å; R132-S166 WeakPolarHBondContact CD-OG 2.9Å; R132-V262 HydrophobicContact CB-CG1 4.33Å
133	P	96	Very high	88.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.209	C	C	.	.			trans	-64	142.5	176.1	25.5	-35.7	0	0	0	112.9	V165 S166 I192 L193 F194 V214 I217 F218 V262	P133-V165 HydrophobicContact CB-CG1 4.22Å; P133-V165 HydrophobicContact CG-CB 4.32Å; P133-V165 HydrophobicContact CG-CG1 4Å; P133-V165 HydrophobicContact CG-CG2 3.89Å; P133-S166 PolarHBondContact O-N 3.1Å; P133-I192 HydrophobicContact CB-CG2 4.25Å; P133-L193 WeakPolarHBondContact CA-O 3.43Å; P133-F194 HydrophobicContact CB-CD2 4.46Å; P133-V214 HydrophobicContact CB-CG1 4.34Å; P133-V214 HydrophobicContact CG-CG1 4.23Å; P133-I217 HydrophobicContact CB-CD1 3.78Å; P133-F218 HydrophobicContact CG-CE1 4.45Å; P133-F218 HydrophobicContact CG-CE2 4.48Å; P133-F218 HydrophobicContact CG-CZ 3.72Å; P133-V262 HydrophobicContact CG-CG2 4.19Å
134	Y	96.2	Very high	88.6	Confident	25 Å²	25	44.7 Å²	44.7	10%	0.098	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	114.4	172.6	-157.3	-69.8	0	0	0	110	V116 V125 I128 I136 S166 V167 I192 L193	V116-Y134 HydrophobicContact CG2-CE1 4.11Å; V125-Y134 HydrophobicContact CB-CE2 4.49Å; V125-Y134 HydrophobicContact CG1-CD1 3.65Å; V125-Y134 HydrophobicContact CG1-CD2 3.82Å; V125-Y134 HydrophobicContact CG1-CE1 3.91Å; V125-Y134 HydrophobicContact CG1-CE2 4.08Å; V125-Y134 HydrophobicContact CG1-CG 3.61Å; V125-Y134 HydrophobicContact CG2-CE1 4.27Å; V125-Y134 HydrophobicContact CG2-CE2 4.1Å; I128-Y134 HydrophobicContact CB-CD2 4.44Å; I128-Y134 HydrophobicContact CG2-CD2 4.05Å; Y134-I136 HydrophobicContact CD1-CD1 4.21Å; Y134-I136 HydrophobicContact CD1-CG1 3.67Å; Y134-I136 HydrophobicContact CE1-CD1 4.41Å; Y134-I136 HydrophobicContact CE1-CG1 3.9Å; Y134-S166 CarbonylContact C-O 3.57Å; Y134-S166 VanDerWaalsContact CA-O 3.29Å; Y134-S166 WeakPolarHBondContact CA-O 3.17Å; Y134-V167 PolarHBondContact OH-O 2.8Å; Y134-I192 CarbonylContact O-C 3.47Å; Y134-I192 WeakPolarHBondContact O-CA 3.32Å; Y134-L193 PolarHBondContact N-O 3.39Å; Y134-L193 PolarHBondContact O-N 3.34Å
135	V	96.3	Very high	88.3	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129.6	-178	-172.4	0	0	0	0	109.5	W153 L160 V165 S166 V167 G168 V190 V191 I192 V214	V135-W153 HydrophobicContact CG1-CH2 3.86Å; V135-L160 HydrophobicContact CB-CD1 4.25Å; V135-L160 HydrophobicContact CG1-CD1 4.34Å; V135-L160 HydrophobicContact CG2-CD1 3.95Å; V135-V165 HydrophobicContact CG2-CG1 3.6Å; V135-S166 PolarHBondContact N-O 3.25Å; V135-V167 CarbonylContact O-C 3.54Å; V135-V167 VanDerWaalsContact O-CA 3.29Å; V135-V167 WeakPolarHBondContact O-CA 3.38Å; V135-G168 PolarHBondContact O-N 3.42Å; V135-V190 HydrophobicContact CG1-CG1 3.58Å; V135-V191 CarbonylContact C-O 3.57Å; V135-V191 WeakPolarHBondContact CA-O 3.25Å; V135-I192 HydrophobicContact CG1-CG1 4.31Å; V135-I192 HydrophobicContact CG2-CG1 4.14Å; V135-I192 HydrophobicContact CG2-CG2 4.19Å; V135-V214 HydrophobicContact CG2-CG2 3.75Å
136	I	94.8	Very high	88	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	123	-177.4	-54.9	-177.7	0	0	0	109.4	V125 Y134 F138 G168 V170 L182 V190 V191 L193	V125-I136 HydrophobicContact CG1-CD1 4.39Å; Y134-I136 HydrophobicContact CD1-CD1 4.21Å; Y134-I136 HydrophobicContact CD1-CG1 3.67Å; Y134-I136 HydrophobicContact CE1-CD1 4.41Å; Y134-I136 HydrophobicContact CE1-CG1 3.9Å; I136-F138 HydrophobicContact CB-CD2 4.49Å; I136-F138 HydrophobicContact CB-CE2 3.96Å; I136-F138 HydrophobicContact CG2-CD2 3.87Å; I136-F138 HydrophobicContact CG2-CE2 3.42Å; I136-F138 VanDerWaalsContact CG2-CE2 3.42Å; I136-F138 HydrophobicContact CG2-CZ 3.98Å; I136-G168 VanDerWaalsContact CA-O 3.31Å; I136-G168 WeakPolarHBondContact CA-O 3.17Å; I136-V170 HydrophobicContact CG2-CB 4.1Å; I136-V170 HydrophobicContact CG2-CG2 3.43Å; I136-V170 VanDerWaalsContact CG2-CG2 3.43Å; I136-L182 HydrophobicContact CD1-CD1 4.18Å; I136-V190 WeakPolarHBondContact O-CA 3.47Å; I136-V191 PolarHBondContact N-O 3.34Å; I136-V191 PolarHBondContact O-N 3.19Å; I136-L193 HydrophobicContact CD1-CD1 3.59Å; I136-L193 HydrophobicContact CD1-CG 4.29Å; I136-L193 HydrophobicContact CG1-CD1 4.45Å
137	F	93.5	Very high	87.5	Confident	1 Å²	1	42.6 Å²	42.6	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121.9	169.7	174.9	-111	0	0	0	111.3	F107 Y139 C146 W153 G168 T169 V170 P188 V190	F107-F137 HydrophobicContact CE1-CD1 4.22Å; F107-F137 AromaticContact CE1-CE1 3.9Å; F107-F137 HydrophobicContact CE1-CE1 3.9Å; F107-F137 HydrophobicContact CE2-CE1 4.45Å; F107-F137 HydrophobicContact CZ-CD1 4.01Å; F107-F137 AromaticContact CZ-CE1 3.44Å; F107-F137 HydrophobicContact CZ-CE1 3.44Å; F107-F137 VanDerWaalsContact CZ-CE1 3.44Å; F107-F137 HydrophobicContact CZ-CZ 4.4Å; F137-Y139 HydrophobicContact CD1-CD1 4.27Å; F137-Y139 HydrophobicContact CE1-CD1 4.45Å; F137-Y139 HydrophobicContact CE1-CG 4.34Å; F137-C146 HydrophobicContact CZ-CB 4.43Å; F137-W153 HydrophobicContact CB-CD2 3.92Å; F137-W153 VanDerWaalsContact CB-CE2 3.4Å; F137-W153 HydrophobicContact CB-CE3 4.21Å; F137-W153 HydrophobicContact CB-CH2 3.61Å; F137-W153 HydrophobicContact CB-CZ2 3.24Å; F137-W153 HydrophobicContact CB-CZ3 4.06Å; F137-W153 HydrophobicContact CD1-CD2 4.38Å; F137-W153 HydrophobicContact CD1-CG 4.4Å; F137-W153 HydrophobicContact CD2-CD2 4.39Å; F137-W153 HydrophobicContact CD2-CE3 4.3Å; F137-W153 HydrophobicContact CG-CD2 4.01Å; F137-W153 AromaticContact CG-CE2 3.94Å; F137-W153 HydrophobicContact CG-CE3 4.32Å; F137-W153 HydrophobicContact CG-CG 4.48Å; F137-W153 HydrophobicContact CG-CZ2 4.23Å; F137-G168 PolarHBondContact N-O 3.27Å; F137-T169 HydrophobicContact CB-CG2 4.15Å; F137-T169 HydrophobicContact CD1-CG2 4.32Å; F137-T169 CarbonylContact O-C 3.53Å; F137-T169 VanDerWaalsContact O-CA 3.29Å; F137-T169 WeakPolarHBondContact O-CA 3.2Å; F137-V170 PolarHBondContact O-N 3.15Å; F137-P188 HydrophobicContact CE2-CB 3.52Å; F137-P188 HydrophobicContact CZ-CB 3.84Å; F137-V190 HydrophobicContact CB-CG2 4.45Å; F137-V190 HydrophobicContact CD2-CG2 3.71Å
138	F	91.8	Very high	87.1	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	123.1	176.5	-74.2	-100.3	0	0	0	110.1	I136 V170 A172 A179 L182 V184 V187 P188 S189 V191	I136-F138 HydrophobicContact CB-CD2 4.49Å; I136-F138 HydrophobicContact CB-CE2 3.96Å; I136-F138 HydrophobicContact CG2-CD2 3.87Å; I136-F138 HydrophobicContact CG2-CE2 3.42Å; I136-F138 VanDerWaalsContact CG2-CE2 3.42Å; I136-F138 HydrophobicContact CG2-CZ 3.98Å; F138-V170 WeakPolarHBondContact CA-O 3.31Å; F138-V170 HydrophobicContact CD1-CB 3.74Å; F138-V170 HydrophobicContact CD1-CG1 3.71Å; F138-V170 HydrophobicContact CE1-CB 3.65Å; F138-V170 HydrophobicContact CE1-CG1 3.46Å; F138-V170 VanDerWaalsContact CE1-CG1 3.46Å; F138-V170 HydrophobicContact CE1-CG2 4.13Å; F138-V170 HydrophobicContact CG-CB 4.27Å; F138-V170 HydrophobicContact CZ-CB 4.09Å; F138-V170 HydrophobicContact CZ-CG1 4.27Å; F138-V170 HydrophobicContact CZ-CG2 4.13Å; F138-A172 HydrophobicContact CD1-CB 4.33Å; F138-A179 HydrophobicContact CD1-CB 4.14Å; F138-A179 HydrophobicContact CE1-CB 3.95Å; F138-L182 HydrophobicContact CE2-CD1 4.18Å; F138-L182 HydrophobicContact CZ-CB 4.21Å; F138-L182 HydrophobicContact CZ-CD1 3.67Å; F138-V184 HydrophobicContact CB-CG1 3.86Å; F138-V184 HydrophobicContact CD1-CB 4.13Å; F138-V184 HydrophobicContact CD1-CG1 4.02Å; F138-V184 HydrophobicContact CD1-CG2 3.92Å; F138-V184 HydrophobicContact CD2-CG1 4.48Å; F138-V184 HydrophobicContact CD2-CG2 3.7Å; F138-V184 HydrophobicContact CE1-CB 4.38Å; F138-V184 HydrophobicContact CE1-CG2 3.92Å; F138-V184 HydrophobicContact CE2-CG2 3.71Å; F138-V184 HydrophobicContact CG-CB 4.26Å; F138-V184 HydrophobicContact CG-CG1 3.87Å; F138-V184 HydrophobicContact CG-CG2 3.81Å; F138-V184 HydrophobicContact CZ-CG2 3.82Å; F138-V187 HydrophobicContact CB-CG1 4.24Å; F138-P188 WeakPolarHBondContact O-CA 3.42Å; F138-S189 PolarHBondContact N-O 3.23Å; F138-S189 PolarHBondContact O-N 2.95Å; F138-V191 HydrophobicContact CD2-CG2 4.18Å; F138-V191 HydrophobicContact CE2-CB 4.08Å; F138-V191 HydrophobicContact CE2-CG2 3.95Å
139	Y	87.9	Confident	86.9	Confident	5 Å²	5	37.6 Å²	37.6	2%	0.02	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	170	-177.9	74.3	-89.2	0	0	0	112.2	F104 F107 F137 V170 N171 A172	F104-Y139 HydrophobicContact CE1-CD2 4.01Å; F104-Y139 AromaticContact CE1-CE2 3.63Å; F104-Y139 HydrophobicContact CE1-CE2 3.63Å; F104-Y139 AromaticContact CZ-CD2 3.77Å; F104-Y139 HydrophobicContact CZ-CD2 3.77Å; F104-Y139 AromaticContact CZ-CE2 3.91Å; F104-Y139 HydrophobicContact CZ-CE2 3.91Å; F107-Y139 HydrophobicContact CD1-CE2 4.5Å; F107-Y139 HydrophobicContact CE1-CD1 4.14Å; F107-Y139 HydrophobicContact CE1-CE1 4.41Å; F107-Y139 HydrophobicContact CE1-CG 4.19Å; F137-Y139 HydrophobicContact CD1-CD1 4.27Å; F137-Y139 HydrophobicContact CE1-CD1 4.45Å; F137-Y139 HydrophobicContact CE1-CG 4.34Å; Y139-V170 WeakPolarHBondContact CD1-O 3.26Å; Y139-V170 PolarHBondContact N-O 2.82Å; Y139-N171 HydrophobicContact CE1-CB 4.19Å; Y139-N171 HydrophobicContact CE2-CB 3.97Å; Y139-N171 CarbonylContact O-C 3.49Å; Y139-N171 WeakPolarHBondContact O-CA 3.24Å; Y139-A172 PolarHBondContact O-N 2.89Å
140	S	82.1	Confident	86.3	Confident	16 Å²	16	39.2 Å²	39.2	11%	0.112	22%	0.219	C	C	.	.			trans	-132.2	144.8	168.4	170.5	0	0	0	0	110	L142 C143 M173	S140-L142 PolarHBondContact O-N 2.83Å; S140-L142 VanDerWaalsContact O-N 3.14Å; S140-L142 PolarHBondContact OG-N 2.84Å; S140-C143 PolarHBondContact O-N 3.33Å; S140-M173 WeakPolarHBondContact OG-CE 3.25Å
141	G	72.3	Confident	86.1	Confident	26 Å²	26	35.1 Å²	35.1	27%	0.268	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-23.3	175.5	0	0	0	0	0	114.5	F104	F104-G141 VanDerWaalsContact CD2-O 3.29Å; F104-G141 WeakPolarHBondContact CD2-O 3.35Å; F104-G141 VanDerWaalsContact CE2-O 3.27Å; F104-G141 WeakPolarHBondContact CE2-O 3.29Å; F104-G141 VanDerWaalsContact CZ-CA 3.43Å
142	L	72.5	Confident	86.2	Confident	80 Å²	80	34.4 Å²	34.4	42%	0.419	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-1.1	-175.7	-58.8	177.4	0	0	0	113	S140 I144 M173	S140-L142 PolarHBondContact O-N 2.83Å; S140-L142 VanDerWaalsContact O-N 3.14Å; S140-L142 PolarHBondContact OG-N 2.84Å; L142-I144 PolarHBondContact O-N 3.42Å; L142-M173 HydrophobicContact CD1-CE 3.69Å; L142-M173 HydrophobicContact CG-CE 3.92Å
143	C	80.6	Confident	86	Confident	23 Å²	23	31.1 Å²	31.1	16%	0.155	20%	0.196	C	C	.	.			trans	-88.8	107.7	-175.7	-179	0	0	0	0	110.9	S140 A145 C146 I147 V187	S140-C143 PolarHBondContact O-N 3.33Å; C143-A145 VanDerWaalsContact C-N 3.25Å; C143-A145 PolarHBondContact O-N 2.85Å; C143-C146 HydrophobicContact CB-CB 3.91Å; C143-C146 VanDerWaalsContact CB-SG 3.52Å; C143-C146 WeakPolarHBondContact O-CB 3.34Å; C143-C146 PolarHBondContact O-N 3.18Å; C143-C146 PolarHBondContact SG-N 3.29Å; C143-C146 PolarHBondContact SG-SG 3.36Å; C143-I147 PolarHBondContact O-N 2.97Å; C143-V187 HydrophobicContact CB-CG2 4.16Å
144	I	80.2	Confident	85.7	Confident	131 Å²	131	36.9 Å²	36.9	67%	0.672	22%	0.223	S	C	*	.	H	α-helix	trans	-56.4	-40.3	178.2	-60.2	171.8	0	0	0	111.4	L142 C146 I147 G148	L142-I144 PolarHBondContact O-N 3.42Å; I144-C146 VanDerWaalsContact C-N 3.3Å; I144-C146 PolarHBondContact O-N 2.83Å; I144-I147 WeakPolarHBondContact O-CB 3.41Å; I144-I147 PolarHBondContact O-N 3.47Å; I144-I147 VanDerWaalsContact O-N 3.15Å; I144-G148 PolarHBondContact O-N 3.46Å
145	A	83.1	Confident	85.5	Confident	54 Å²	54	40.8 Å²	40.8	45%	0.446	24%	0.242	S	C	.	.	H	α-helix	trans	-64.6	-32.9	176.6	0	0	0	0	0	112.8	C143 M149 P188	C143-A145 VanDerWaalsContact C-N 3.25Å; C143-A145 PolarHBondContact O-N 2.85Å; A145-M149 WeakPolarHBondContact O-CB 3.45Å; A145-M149 WeakPolarHBondContact O-CG 3.34Å; A145-M149 PolarHBondContact O-N 2.88Å; A145-P188 HydrophobicContact CB-CG 4.33Å
146	C	86.1	Confident	85.3	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.007	24%	0.242	C	C	.	.	H	α-helix	trans	-67.2	-39	173.3	-66.2	0	0	0	0	111.5	F137 C143 I144 M149	F137-C146 HydrophobicContact CZ-CB 4.43Å; C143-C146 HydrophobicContact CB-CB 3.91Å; C143-C146 VanDerWaalsContact CB-SG 3.52Å; C143-C146 WeakPolarHBondContact O-CB 3.34Å; C143-C146 PolarHBondContact O-N 3.18Å; C143-C146 PolarHBondContact SG-N 3.29Å; C143-C146 PolarHBondContact SG-SG 3.36Å; I144-C146 VanDerWaalsContact C-N 3.3Å; I144-C146 PolarHBondContact O-N 2.83Å; C146-M149 PolarHBondContact O-N 2.78Å
147	I	78.5	Confident	85.2	Confident	57 Å²	57	41.9 Å²	41.9	29%	0.292	25%	0.249	S	C	.	.	H	α-helix	trans	-65.5	-47.5	178.1	-60.5	169	0	0	0	110.1	F104 C143 I144 M149 E150	F104-I147 HydrophobicContact CD2-CD1 3.95Å; F104-I147 HydrophobicContact CD2-CG1 3.89Å; F104-I147 HydrophobicContact CE2-CD1 3.98Å; F104-I147 HydrophobicContact CE2-CG1 3.55Å; C143-I147 PolarHBondContact O-N 2.97Å; I144-I147 WeakPolarHBondContact O-CB 3.41Å; I144-I147 PolarHBondContact O-N 3.47Å; I144-I147 VanDerWaalsContact O-N 3.15Å; I147-M149 PolarHBondContact O-N 2.57Å; I147-M149 VanDerWaalsContact O-N 3.14Å; I147-E150 WeakPolarHBondContact O-CB 3.36Å; I147-E150 PolarHBondContact O-N 3.23Å; I147-E150 VanDerWaalsContact O-N 3.1Å
148	G	82.3	Confident	85.1	Confident	59 Å²	59	46.3 Å²	46.3	61%	0.608	27%	0.272	S	S	*	.	H	α-helix	trans	-62.3	-21.9	178.3	0	0	0	0	0	114.1	I144	I144-G148 PolarHBondContact O-N 3.46Å
149	M	86.3	Confident	85.2	Confident	16 Å²	16	48.8 Å²	48.8	8%	0.079	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-4.3	178.6	-77.1	-63.2	-55	0	0	114	A145 C146 I147 V152 W153 I203 S204 Y210	A145-M149 WeakPolarHBondContact O-CB 3.45Å; A145-M149 WeakPolarHBondContact O-CG 3.34Å; A145-M149 PolarHBondContact O-N 2.88Å; C146-M149 PolarHBondContact O-N 2.78Å; I147-M149 PolarHBondContact O-N 2.57Å; I147-M149 VanDerWaalsContact O-N 3.14Å; M149-V152 HydrophobicContact CE-CB 3.92Å; M149-V152 HydrophobicContact CE-CG1 3.87Å; M149-V152 PolarHBondContact O-N 2.77Å; M149-W153 WeakPolarHBondContact O-CB 3.35Å; M149-W153 PolarHBondContact O-N 3.35Å; M149-I203 HydrophobicContact SD-CG2 4.41Å; M149-S204 WeakPolarHBondContact CE-O 3.36Å; M149-Y210 HydrophobicContact CE-CE2 4.47Å; M149-Y210 VanDerWaalsContact CE-OH 3.31Å; M149-Y210 WeakPolarHBondContact CE-OH 3.43Å
150	E	81.2	Confident	85.5	Confident	36 Å²	36	48.6 Å²	48.6	17%	0.168	28%	0.284	C	S	.	.	H	α-helix	trans	-54	-51.6	-177.2	-171.6	172.8	179	0	0	113.9	S106 F107 I147 V152 W153 E154	S106-E150 WeakPolarHBondContact CB-OE1 3.42Å; S106-E150 PolarHBondContact OG-OE1 3.4Å; F107-E150 WeakPolarHBondContact CA-OE1 3.38Å; F107-E150 HydrophobicContact CD2-CB 3.54Å; F107-E150 VanDerWaalsContact CD2-CD 3.43Å; F107-E150 HydrophobicContact CD2-CG 3.38Å; F107-E150 WeakPolarHBondContact CD2-OE2 3.39Å; F107-E150 HydrophobicContact CE2-CB 3.47Å; F107-E150 VanDerWaalsContact CE2-CB 3.47Å; F107-E150 HydrophobicContact CE2-CG 3.63Å; F107-E150 HydrophobicContact CG-CG 4.39Å; F107-E150 PolarHBondContact N-OE1 2.89Å; I147-E150 WeakPolarHBondContact O-CB 3.36Å; I147-E150 PolarHBondContact O-N 3.23Å; I147-E150 VanDerWaalsContact O-N 3.1Å; E150-V152 VanDerWaalsContact C-N 3.33Å; E150-V152 PolarHBondContact O-N 3.03Å; E150-W153 PolarHBondContact O-N 3.31Å; E150-W153 VanDerWaalsContact O-N 3.17Å; E150-E154 PolarHBondContact O-N 3.21Å
151	P	85.2	Confident	86	Confident	88 Å²	88	49.2 Å²	49.2	57%	0.571	29%	0.288	S	S	*	.	H	α-helix	trans	-65.2	-38.6	-176.8	-19.7	33.8	0	0	0	112.2	E154 E155	P151-E154 PolarHBondContact O-N 3.4Å; P151-E155 PolarHBondContact O-N 3.08Å
152	V	89.6	Confident	86.9	Confident	26 Å²	26	52.3 Å²	52.3	16%	0.158	30%	0.298	C	S	.	.	H	α-helix	trans	-66	-41.5	177	-178.1	0	0	0	0	110.2	M149 E150 E155 V156 V205 Y210	M149-V152 HydrophobicContact CE-CB 3.92Å; M149-V152 HydrophobicContact CE-CG1 3.87Å; M149-V152 PolarHBondContact O-N 2.77Å; E150-V152 VanDerWaalsContact C-N 3.33Å; E150-V152 PolarHBondContact O-N 3.03Å; V152-E155 PolarHBondContact O-N 3.38Å; V152-V156 HydrophobicContact CG1-CG2 4.49Å; V152-V156 VanDerWaalsContact O-CG2 3.23Å; V152-V156 WeakPolarHBondContact O-CG2 3.32Å; V152-V156 PolarHBondContact O-N 3.42Å; V152-V205 WeakPolarHBondContact CG1-O 3.43Å; V152-V205 WeakPolarHBondContact CG2-O 3.43Å; V152-Y210 HydrophobicContact CG1-CE2 4.31Å
153	W	90.2	Very high	87.8	Confident	8 Å²	8	49.4 Å²	49.4	3%	0.03	28%	0.284	C	S	.	.	H	α-helix	trans	-67.8	-36.1	179.6	-172	-110.6	0	0	0	112.2	V135 F137 M149 E150 V156 V157 V167 V190	V135-W153 HydrophobicContact CG1-CH2 3.86Å; F137-W153 HydrophobicContact CB-CD2 3.92Å; F137-W153 VanDerWaalsContact CB-CE2 3.4Å; F137-W153 HydrophobicContact CB-CE3 4.21Å; F137-W153 HydrophobicContact CB-CH2 3.61Å; F137-W153 HydrophobicContact CB-CZ2 3.24Å; F137-W153 HydrophobicContact CB-CZ3 4.06Å; F137-W153 HydrophobicContact CD1-CD2 4.38Å; F137-W153 HydrophobicContact CD1-CG 4.4Å; F137-W153 HydrophobicContact CD2-CD2 4.39Å; F137-W153 HydrophobicContact CD2-CE3 4.3Å; F137-W153 HydrophobicContact CG-CD2 4.01Å; F137-W153 AromaticContact CG-CE2 3.94Å; F137-W153 HydrophobicContact CG-CE3 4.32Å; F137-W153 HydrophobicContact CG-CG 4.48Å; F137-W153 HydrophobicContact CG-CZ2 4.23Å; M149-W153 WeakPolarHBondContact O-CB 3.35Å; M149-W153 PolarHBondContact O-N 3.35Å; E150-W153 PolarHBondContact O-N 3.31Å; E150-W153 VanDerWaalsContact O-N 3.17Å; W153-V156 HydrophobicContact CE3-CB 4.13Å; W153-V156 HydrophobicContact CE3-CG1 3.96Å; W153-V156 HydrophobicContact CH2-CG1 4.27Å; W153-V156 HydrophobicContact CZ3-CB 4.37Å; W153-V156 HydrophobicContact CZ3-CG1 3.69Å; W153-V156 PolarHBondContact O-N 2.87Å; W153-V157 HydrophobicContact CD2-CG2 4.44Å; W153-V157 HydrophobicContact CG-CG2 4.46Å; W153-V157 HydrophobicContact CZ2-CG2 4.32Å; W153-V157 WeakPolarHBondContact O-CG2 3.08Å; W153-V157 PolarHBondContact O-N 3.23Å; W153-V167 HydrophobicContact CH2-CG1 4.13Å; W153-V167 HydrophobicContact CZ2-CG1 3.47Å; W153-V167 VanDerWaalsContact CZ2-CG1 3.47Å; W153-V190 HydrophobicContact CE3-CG2 4.48Å; W153-V190 HydrophobicContact CH2-CG1 4.48Å; W153-V190 HydrophobicContact CH2-CG2 4.33Å; W153-V190 HydrophobicContact CZ3-CG1 4.41Å; W153-V190 HydrophobicContact CZ3-CG2 3.8Å
154	E	88.4	Confident	88.3	Confident	122 Å²	122	48.9 Å²	48.9	57%	0.57	28%	0.283	S	S	*	.	H	α-helix	trans	-61.2	-45.6	173.5	-172.8	176.2	-174.2	0	0	111.7	E150 P151 V156 V157 N158	E150-E154 PolarHBondContact O-N 3.21Å; P151-E154 PolarHBondContact O-N 3.4Å; E154-V156 PolarHBondContact O-N 2.93Å; E154-V157 PolarHBondContact O-N 3.39Å; E154-N158 PolarHBondContact O-N 2.92Å
155	E	92.1	Very high	89	Confident	107 Å²	107	42.7 Å²	42.7	50%	0.5	25%	0.251	S	S	.	.	H	α-helix	trans	-58.9	-46.5	173.4	-171.8	-172.5	168.7	0	0	111.4	P151 V152 V157 N158 I159 A207	P151-E155 PolarHBondContact O-N 3.08Å; V152-E155 PolarHBondContact O-N 3.38Å; E155-V157 PolarHBondContact O-N 2.92Å; E155-N158 PolarHBondContact O-N 2.79Å; E155-I159 HydrophobicContact CG-CD1 3.95Å; E155-I159 WeakPolarHBondContact O-CG1 3.31Å; E155-I159 PolarHBondContact O-N 3.03Å; E155-A207 HydrophobicContact CB-CB 4.24Å; E155-A207 VanDerWaalsContact CD-CB 3.44Å; E155-A207 HydrophobicContact CG-CB 3.84Å
156	V	93.1	Very high	89.5	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.5	-45.9	176.9	170.3	0	0	0	0	111.6	V152 W153 E154 N158 I159 L160 A207 Y210	V152-V156 HydrophobicContact CG1-CG2 4.49Å; V152-V156 VanDerWaalsContact O-CG2 3.23Å; V152-V156 WeakPolarHBondContact O-CG2 3.32Å; V152-V156 PolarHBondContact O-N 3.42Å; W153-V156 HydrophobicContact CE3-CB 4.13Å; W153-V156 HydrophobicContact CE3-CG1 3.96Å; W153-V156 HydrophobicContact CH2-CG1 4.27Å; W153-V156 HydrophobicContact CZ3-CB 4.37Å; W153-V156 HydrophobicContact CZ3-CG1 3.69Å; W153-V156 PolarHBondContact O-N 2.87Å; E154-V156 PolarHBondContact O-N 2.93Å; V156-N158 VanDerWaalsContact C-N 3.31Å; V156-N158 PolarHBondContact O-N 3.18Å; V156-I159 PolarHBondContact O-N 3.43Å; V156-L160 HydrophobicContact CG1-CD1 3.55Å; V156-L160 HydrophobicContact CG1-CG 4.04Å; V156-L160 VanDerWaalsContact O-CB 3.26Å; V156-L160 WeakPolarHBondContact O-CB 3.31Å; V156-L160 VanDerWaalsContact O-CG 3.24Å; V156-L160 WeakPolarHBondContact O-CG 3.19Å; V156-L160 PolarHBondContact O-N 3.1Å; V156-A207 HydrophobicContact CG2-CB 3.69Å; V156-Y210 HydrophobicContact CG1-CG 4.29Å; V156-Y210 HydrophobicContact CG2-CD2 3.46Å; V156-Y210 VanDerWaalsContact CG2-CD2 3.46Å; V156-Y210 HydrophobicContact CG2-CE2 4.1Å; V156-Y210 HydrophobicContact CG2-CG 3.99Å
157	V	92	Very high	89.8	Confident	23 Å²	23	41.3 Å²	41.3	14%	0.139	24%	0.238	C	C	.	.	H	α-helix	trans	-58.5	-45.8	177.4	170.4	0	0	0	0	110	F114 W153 E154 E155 T161 V167	F114-V157 HydrophobicContact CE2-CG1 4.38Å; F114-V157 HydrophobicContact CZ-CG1 4.22Å; W153-V157 HydrophobicContact CD2-CG2 4.44Å; W153-V157 HydrophobicContact CG-CG2 4.46Å; W153-V157 HydrophobicContact CZ2-CG2 4.32Å; W153-V157 WeakPolarHBondContact O-CG2 3.08Å; W153-V157 PolarHBondContact O-N 3.23Å; E154-V157 PolarHBondContact O-N 3.39Å; E155-V157 PolarHBondContact O-N 2.92Å; V157-T161 HydrophobicContact CG1-CG2 4.07Å; V157-T161 VanDerWaalsContact O-CB 3.26Å; V157-T161 WeakPolarHBondContact O-CB 3.01Å; V157-T161 WeakPolarHBondContact O-CG2 3.5Å; V157-T161 PolarHBondContact O-N 2.97Å; V157-T161 PolarHBondContact O-OG1 3.11Å; V157-V167 HydrophobicContact CG2-CG1 3.87Å
158	N	91.2	Very high	90.4	Very high	94 Å²	94	38.6 Å²	38.6	50%	0.503	22%	0.224	S	C	.	.	H	α-helix	trans	-61	-50.3	179.6	-170.3	17.9	0	0	0	111.5	E154 E155 V156 L160 T161 N162	E154-N158 PolarHBondContact O-N 2.92Å; E155-N158 PolarHBondContact O-N 2.79Å; V156-N158 VanDerWaalsContact C-N 3.31Å; V156-N158 PolarHBondContact O-N 3.18Å; N158-L160 PolarHBondContact O-N 3.07Å; N158-T161 PolarHBondContact O-OG1 3.44Å; N158-N162 VanDerWaalsContact O-CB 3.25Å; N158-N162 WeakPolarHBondContact O-CB 3.34Å; N158-N162 PolarHBondContact O-N 2.85Å; N158-N162 PolarHBondContact O-ND2 3.14Å; N158-N162 VanDerWaalsContact O-ND2 3.1Å; N158-N162 PolarHBondContact OD1-ND2 3.37Å
159	I	93.6	Very high	90.8	Very high	53 Å²	53	35.8 Å²	35.8	27%	0.272	20%	0.195	S	C	.	.	H	α-helix	trans	-62.6	-47.6	-179.4	-63.3	166.3	0	0	0	111.6	E155 V156 S163 A207 V211	E155-I159 HydrophobicContact CG-CD1 3.95Å; E155-I159 WeakPolarHBondContact O-CG1 3.31Å; E155-I159 PolarHBondContact O-N 3.03Å; V156-I159 PolarHBondContact O-N 3.43Å; I159-S163 WeakPolarHBondContact O-CB 3.18Å; I159-S163 PolarHBondContact O-N 2.83Å; I159-S163 PolarHBondContact O-OG 2.83Å; I159-A207 HydrophobicContact CD1-CB 4.09Å; I159-V211 HydrophobicContact CG2-CG2 3.65Å
160	L	95.1	Very high	90.9	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68.1	-45.4	-176.5	-71.3	-174.5	0	0	0	111.9	V135 V156 N158 S163 G164 V165 V167 V211 V214 L258	V135-L160 HydrophobicContact CB-CD1 4.25Å; V135-L160 HydrophobicContact CG1-CD1 4.34Å; V135-L160 HydrophobicContact CG2-CD1 3.95Å; V156-L160 HydrophobicContact CG1-CD1 3.55Å; V156-L160 HydrophobicContact CG1-CG 4.04Å; V156-L160 VanDerWaalsContact O-CB 3.26Å; V156-L160 WeakPolarHBondContact O-CB 3.31Å; V156-L160 VanDerWaalsContact O-CG 3.24Å; V156-L160 WeakPolarHBondContact O-CG 3.19Å; V156-L160 PolarHBondContact O-N 3.1Å; N158-L160 PolarHBondContact O-N 3.07Å; L160-S163 CarbonylContact O-C 3.54Å; L160-S163 WeakPolarHBondContact O-CA 3.42Å; L160-S163 WeakPolarHBondContact O-CB 3.49Å; L160-S163 PolarHBondContact O-N 3.34Å; L160-S163 VanDerWaalsContact O-N 3.12Å; L160-G164 PolarHBondContact O-N 3.12Å; L160-G164 VanDerWaalsContact O-N 3.16Å; L160-V165 HydrophobicContact CB-CB 3.96Å; L160-V165 HydrophobicContact CB-CG1 4.23Å; L160-V165 HydrophobicContact CD1-CG1 4.44Å; L160-V165 HydrophobicContact CD2-CB 4.4Å; L160-V165 HydrophobicContact CD2-CG1 4.46Å; L160-V165 HydrophobicContact CD2-CG2 4.2Å; L160-V165 WeakPolarHBondContact O-CB 3.32Å; L160-V165 PolarHBondContact O-N 2.94Å; L160-V167 HydrophobicContact CB-CG2 3.82Å; L160-V167 HydrophobicContact CD1-CG2 4.12Å; L160-V211 HydrophobicContact CD2-CG2 4.47Å; L160-V214 HydrophobicContact CD1-CG2 4.49Å; L160-V214 HydrophobicContact CD2-CG2 4.05Å; L160-L258 HydrophobicContact CD2-CD2 3.96Å
161	T	91.9	Very high	91.1	Very high	30 Å²	30	33.7 Å²	33.7	18%	0.184	19%	0.186	C	C	.	.	H	α-helix	trans	-67.2	-37.5	179.8	58.3	0	0	0	0	111.9	V157 N158 S163 G164 V167 R316	V157-T161 HydrophobicContact CG1-CG2 4.07Å; V157-T161 VanDerWaalsContact O-CB 3.26Å; V157-T161 WeakPolarHBondContact O-CB 3.01Å; V157-T161 WeakPolarHBondContact O-CG2 3.5Å; V157-T161 PolarHBondContact O-N 2.97Å; V157-T161 PolarHBondContact O-OG1 3.11Å; N158-T161 PolarHBondContact O-OG1 3.44Å; T161-S163 PolarHBondContact O-N 2.94Å; T161-G164 PolarHBondContact O-N 3.39Å; T161-V167 HydrophobicContact CG2-CB 4.39Å; T161-V167 HydrophobicContact CG2-CG2 4Å; T161-R316 PolarHBondContact O-NE 3.28Å; T161-R316 VanDerWaalsContact O-NE 3.17Å; T161-R316 PolarHBondContact O-NH1 2.95Å; T161-R316 PolarHBondContact O-NH2 3.19Å
162	N	91.1	Very high	91.1	Very high	90 Å²	90	30.5 Å²	30.5	48%	0.481	17%	0.167	S	C	.	.	H	α-helix	trans	-65.7	-27.3	172.4	-70.7	-22.2	0	0	0	112.8	N158 G164 R316	N158-N162 VanDerWaalsContact O-CB 3.25Å; N158-N162 WeakPolarHBondContact O-CB 3.34Å; N158-N162 PolarHBondContact O-N 2.85Å; N158-N162 PolarHBondContact O-ND2 3.14Å; N158-N162 VanDerWaalsContact O-ND2 3.1Å; N158-N162 PolarHBondContact OD1-ND2 3.37Å; N162-G164 VanDerWaalsContact C-N 3.28Å; N162-R316 WeakPolarHBondContact O-CD 3.38Å
163	S	92.3	Very high	90.4	Very high	19 Å²	19	32.5 Å²	32.5	13%	0.133	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-2.7	171.6	-57	0	0	0	0	113.6	I159 L160 T161 L259	I159-S163 WeakPolarHBondContact O-CB 3.18Å; I159-S163 PolarHBondContact O-N 2.83Å; I159-S163 PolarHBondContact O-OG 2.83Å; L160-S163 CarbonylContact O-C 3.54Å; L160-S163 WeakPolarHBondContact O-CA 3.42Å; L160-S163 WeakPolarHBondContact O-CB 3.49Å; L160-S163 PolarHBondContact O-N 3.34Å; L160-S163 VanDerWaalsContact O-N 3.12Å; T161-S163 PolarHBondContact O-N 2.94Å; S163-L259 WeakPolarHBondContact O-CA 3.34Å
164	G	91.6	Very high	89.8	Confident	12 Å²	12	37.8 Å²	37.8	12%	0.124	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	0.8	-179.5	0	0	0	0	0	115.5	L160 T161 N162	L160-G164 PolarHBondContact O-N 3.12Å; L160-G164 VanDerWaalsContact O-N 3.16Å; T161-G164 PolarHBondContact O-N 3.39Å; N162-G164 VanDerWaalsContact C-N 3.28Å
165	V	94.6	Very high	89.6	Confident	2 Å²	2	33 Å²	33	1%	0.012	18%	0.176	C	C	.	.			trans	-68.4	139	172.6	179	0	0	0	0	108.9	P133 V135 L160 V214 L258 V262	P133-V165 HydrophobicContact CB-CG1 4.22Å; P133-V165 HydrophobicContact CG-CB 4.32Å; P133-V165 HydrophobicContact CG-CG1 4Å; P133-V165 HydrophobicContact CG-CG2 3.89Å; V135-V165 HydrophobicContact CG2-CG1 3.6Å; L160-V165 HydrophobicContact CB-CB 3.96Å; L160-V165 HydrophobicContact CB-CG1 4.23Å; L160-V165 HydrophobicContact CD1-CG1 4.44Å; L160-V165 HydrophobicContact CD2-CB 4.4Å; L160-V165 HydrophobicContact CD2-CG1 4.46Å; L160-V165 HydrophobicContact CD2-CG2 4.2Å; L160-V165 WeakPolarHBondContact O-CB 3.32Å; L160-V165 PolarHBondContact O-N 2.94Å; V165-V214 HydrophobicContact CG2-CG1 4.12Å; V165-L258 HydrophobicContact CG2-CD2 4.08Å; V165-L258 HydrophobicContact CG2-CG 4.43Å; V165-V262 HydrophobicContact CG2-CG2 3.65Å
166	S	93	Very high	89	Confident	20 Å²	20	29.8 Å²	29.8	14%	0.14	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	138.1	174.2	-61.7	0	0	0	0	109.8	R132 P133 Y134 V135	R132-S166 WeakPolarHBondContact CD-OG 2.9Å; P133-S166 PolarHBondContact O-N 3.1Å; Y134-S166 CarbonylContact C-O 3.57Å; Y134-S166 VanDerWaalsContact CA-O 3.29Å; Y134-S166 WeakPolarHBondContact CA-O 3.17Å; V135-S166 PolarHBondContact N-O 3.25Å
167	V	92.7	Very high	88.4	Confident	6 Å²	6	36 Å²	36	4%	0.036	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147.3	-178.1	-172.4	0	0	0	0	109.1	F114 Y134 V135 W153 V157 L160 T161	F114-V167 WeakPolarHBondContact CD1-O 3.5Å; Y134-V167 PolarHBondContact OH-O 2.8Å; V135-V167 CarbonylContact O-C 3.54Å; V135-V167 VanDerWaalsContact O-CA 3.29Å; V135-V167 WeakPolarHBondContact O-CA 3.38Å; W153-V167 HydrophobicContact CH2-CG1 4.13Å; W153-V167 HydrophobicContact CZ2-CG1 3.47Å; W153-V167 VanDerWaalsContact CZ2-CG1 3.47Å; V157-V167 HydrophobicContact CG2-CG1 3.87Å; L160-V167 HydrophobicContact CB-CG2 3.82Å; L160-V167 HydrophobicContact CD1-CG2 4.12Å; T161-V167 HydrophobicContact CG2-CB 4.39Å; T161-V167 HydrophobicContact CG2-CG2 4Å
168	G	91.3	Very high	88.1	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	168.5	175	0	0	0	0	0	111.6	F114 V135 I136 F137	F114-G168 CarbonylContact O-C 3.33Å; F114-G168 WeakPolarHBondContact O-CA 3.46Å; V135-G168 PolarHBondContact O-N 3.42Å; I136-G168 VanDerWaalsContact CA-O 3.31Å; I136-G168 WeakPolarHBondContact CA-O 3.17Å; F137-G168 PolarHBondContact N-O 3.27Å
169	T	91	Very high	87.9	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	147.4	175.5	60.2	0	0	0	0	111.9	N111 F114 R115 V116 F137	N111-T169 WeakPolarHBondContact CB-OG1 3.31Å; N111-T169 WeakPolarHBondContact OD1-CB 3.48Å; N111-T169 WeakPolarHBondContact OD1-CG2 3.41Å; N111-T169 PolarHBondContact OD1-OG1 3.31Å; F114-T169 PolarHBondContact O-N 3.2Å; R115-T169 CarbonylContact C-O 3.48Å; R115-T169 WeakPolarHBondContact CA-O 3.42Å; V116-T169 PolarHBondContact N-O 3.22Å; F137-T169 HydrophobicContact CB-CG2 4.15Å; F137-T169 HydrophobicContact CD1-CG2 4.32Å; F137-T169 CarbonylContact O-C 3.53Å; F137-T169 VanDerWaalsContact O-CA 3.29Å; F137-T169 WeakPolarHBondContact O-CA 3.2Å
170	V	88.4	Confident	87.4	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	124	-179.7	176.9	0	0	0	0	108.4	V116 I136 F137 F138 Y139 A172 E175 L178	V116-V170 HydrophobicContact CB-CG2 3.88Å; V116-V170 HydrophobicContact CG1-CG2 4.43Å; I136-V170 HydrophobicContact CG2-CB 4.1Å; I136-V170 HydrophobicContact CG2-CG2 3.43Å; I136-V170 VanDerWaalsContact CG2-CG2 3.43Å; F137-V170 PolarHBondContact O-N 3.15Å; F138-V170 WeakPolarHBondContact CA-O 3.31Å; F138-V170 HydrophobicContact CD1-CB 3.74Å; F138-V170 HydrophobicContact CD1-CG1 3.71Å; F138-V170 HydrophobicContact CE1-CB 3.65Å; F138-V170 HydrophobicContact CE1-CG1 3.46Å; F138-V170 VanDerWaalsContact CE1-CG1 3.46Å; F138-V170 HydrophobicContact CE1-CG2 4.13Å; F138-V170 HydrophobicContact CG-CB 4.27Å; F138-V170 HydrophobicContact CZ-CB 4.09Å; F138-V170 HydrophobicContact CZ-CG1 4.27Å; F138-V170 HydrophobicContact CZ-CG2 4.13Å; Y139-V170 WeakPolarHBondContact CD1-O 3.26Å; Y139-V170 PolarHBondContact N-O 2.82Å; V170-A172 PolarHBondContact O-N 3.39Å; V170-E175 HydrophobicContact CG1-CB 3.62Å; V170-E175 HydrophobicContact CG1-CG 4.24Å; V170-L178 HydrophobicContact CG1-CD2 4.02Å; V170-L178 HydrophobicContact CG1-CG 4.49Å; V170-L178 HydrophobicContact CG2-CD2 3.67Å
171	N	85.3	Confident	86.9	Confident	8 Å²	8	35.1 Å²	35.1	4%	0.043	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	105.4	168.4	-171.9	-38.6	0	0	0	108.5	Y139 M173 F174 E175	Y139-N171 HydrophobicContact CE1-CB 4.19Å; Y139-N171 HydrophobicContact CE2-CB 3.97Å; Y139-N171 CarbonylContact O-C 3.49Å; Y139-N171 WeakPolarHBondContact O-CA 3.24Å; N171-M173 PolarHBondContact O-N 2.71Å; N171-M173 VanDerWaalsContact OD1-CB 3.23Å; N171-M173 WeakPolarHBondContact OD1-CB 3.39Å; N171-M173 PolarHBondContact OD1-N 3.09Å; N171-F174 HydrophobicContact CB-CD2 3.9Å; N171-F174 VanDerWaalsContact CG-CD2 3.41Å; N171-F174 WeakPolarHBondContact ND2-CD2 3.45Å; N171-F174 VanDerWaalsContact ND2-CE2 3.35Å; N171-F174 WeakPolarHBondContact ND2-CE2 3.04Å; N171-F174 PolarHBondContact O-N 2.98Å; N171-F174 VanDerWaalsContact O-N 3.17Å; N171-E175 PolarHBondContact O-N 3.29Å
172	A	83.7	Confident	86.6	Confident	21 Å²	21	33.9 Å²	33.9	17%	0.174	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.4	-175.2	0	0	0	0	0	113	F138 Y139 V170 G176 A179 V187	F138-A172 HydrophobicContact CD1-CB 4.33Å; Y139-A172 PolarHBondContact O-N 2.89Å; V170-A172 PolarHBondContact O-N 3.39Å; A172-G176 WeakPolarHBondContact O-CA 3.5Å; A172-G176 PolarHBondContact O-N 3.47Å; A172-A179 HydrophobicContact CB-CB 4.3Å; A172-V187 HydrophobicContact CB-CG1 3.66Å
173	M	75	Confident	86.1	Confident	67 Å²	67	33.2 Å²	33.2	33%	0.33	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-42	176.2	-172.9	-170.5	-74.6	0	0	111.7	S140 L142 N171	S140-M173 WeakPolarHBondContact OG-CE 3.25Å; L142-M173 HydrophobicContact CD1-CE 3.69Å; L142-M173 HydrophobicContact CG-CE 3.92Å; N171-M173 PolarHBondContact O-N 2.71Å; N171-M173 VanDerWaalsContact OD1-CB 3.23Å; N171-M173 WeakPolarHBondContact OD1-CB 3.39Å; N171-M173 PolarHBondContact OD1-N 3.09Å
174	F	78.6	Confident	85.7	Confident	119 Å²	119	33.1 Å²	33.1	52%	0.522	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-34.5	-178.6	-60.1	-54.8	0	0	0	112.9	N171	N171-F174 HydrophobicContact CB-CD2 3.9Å; N171-F174 VanDerWaalsContact CG-CD2 3.41Å; N171-F174 WeakPolarHBondContact ND2-CD2 3.45Å; N171-F174 VanDerWaalsContact ND2-CE2 3.35Å; N171-F174 WeakPolarHBondContact ND2-CE2 3.04Å; N171-F174 PolarHBondContact O-N 2.98Å; N171-F174 VanDerWaalsContact O-N 3.17Å
175	E	83.4	Confident	85.2	Confident	22 Å²	22	39.3 Å²	39.3	10%	0.103	22%	0.22	C	C	.	.			trans	-104.7	42	-177.4	-64.2	-65.6	153.7	0	0	111.2	L117 L118 V170 N171 K177 L178 A179	L117-E175 HydrophobicContact CD2-CG 4.47Å; L117-E175 VanDerWaalsContact CD2-OE1 3.24Å; L117-E175 WeakPolarHBondContact CD2-OE1 3.37Å; L118-E175 WeakPolarHBondContact CB-OE2 3.41Å; L118-E175 PolarHBondContact N-OE2 2.86Å; V170-E175 HydrophobicContact CG1-CB 3.62Å; V170-E175 HydrophobicContact CG1-CG 4.24Å; N171-E175 PolarHBondContact O-N 3.29Å; E175-K177 PolarHBondContact O-N 3.36Å; E175-K177 VanDerWaalsContact O-N 3.1Å; E175-L178 HydrophobicContact CB-CB 4.17Å; E175-L178 WeakPolarHBondContact O-CB 3.45Å; E175-L178 PolarHBondContact O-N 2.99Å; E175-A179 PolarHBondContact O-N 3.46Å
176	G	80.1	Confident	84.8	Confident	40 Å²	40	42.8 Å²	42.8	41%	0.412	25%	0.245	S	C	.	.	H	α-helix	trans	-56.4	-29.3	-177.5	0	0	0	0	0	114	A172 G180	A172-G176 WeakPolarHBondContact O-CA 3.5Å; A172-G176 PolarHBondContact O-N 3.47Å; G176-G180 PolarHBondContact O-N 3.03Å
177	K	80.7	Confident	84.6	Confident	131 Å²	131	44 Å²	44	57%	0.57	25%	0.251	S	S	*	.	H	α-helix	trans	-66.1	-43.7	172.8	-71.9	-178.6	-179.7	173.4	0	112.5	L118 E175 G180 E181	L118-K177 HydrophobicContact CD2-CB 4.1Å; L118-K177 HydrophobicContact CD2-CD 4.22Å; E175-K177 PolarHBondContact O-N 3.36Å; E175-K177 VanDerWaalsContact O-N 3.1Å; K177-G180 PolarHBondContact O-N 3.14Å; K177-E181 WeakPolarHBondContact O-CB 3.3Å; K177-E181 PolarHBondContact O-N 3.49Å
178	L	86.2	Confident	84.6	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-68.4	-41.1	176.9	178	57.2	0	0	0	110.7	V116 L118 Y121 V170 E175 G180 E181 L182	V116-L178 HydrophobicContact CG1-CD2 4.15Å; L118-L178 HydrophobicContact CD1-CB 4.09Å; L118-L178 HydrophobicContact CD1-CD1 4.24Å; Y121-L178 HydrophobicContact CD1-CD1 3.45Å; Y121-L178 VanDerWaalsContact CD1-CD1 3.45Å; Y121-L178 HydrophobicContact CD2-CD1 3.83Å; Y121-L178 HydrophobicContact CE1-CD1 3.88Å; Y121-L178 HydrophobicContact CE2-CD1 4.19Å; Y121-L178 HydrophobicContact CG-CD1 3.43Å; Y121-L178 VanDerWaalsContact CG-CD1 3.43Å; V170-L178 HydrophobicContact CG1-CD2 4.02Å; V170-L178 HydrophobicContact CG1-CG 4.49Å; V170-L178 HydrophobicContact CG2-CD2 3.67Å; E175-L178 HydrophobicContact CB-CB 4.17Å; E175-L178 WeakPolarHBondContact O-CB 3.45Å; E175-L178 PolarHBondContact O-N 2.99Å; L178-G180 VanDerWaalsContact C-N 3.31Å; L178-G180 PolarHBondContact O-N 3.42Å; L178-E181 PolarHBondContact O-N 3.35Å; L178-L182 HydrophobicContact CD1-CD1 3.81Å; L178-L182 HydrophobicContact CD1-CG 4.19Å; L178-L182 HydrophobicContact CG-CD1 4.31Å; L178-L182 WeakPolarHBondContact O-CB 3.31Å; L178-L182 PolarHBondContact O-N 3.07Å
179	A	86.6	Confident	84.6	Confident	6 Å²	6	45.3 Å²	45.3	5%	0.05	26%	0.26	C	S	.	.	H	α-helix	trans	-58.8	-44	172	0	0	0	0	0	111.1	F138 A172 E175 L182 R183 V184	F138-A179 HydrophobicContact CD1-CB 4.14Å; F138-A179 HydrophobicContact CE1-CB 3.95Å; A172-A179 HydrophobicContact CB-CB 4.3Å; E175-A179 PolarHBondContact O-N 3.46Å; A179-L182 CarbonylContact O-C 3.56Å; A179-L182 PolarHBondContact O-N 2.9Å; A179-R183 CarbonylContact O-C 3.57Å; A179-R183 WeakPolarHBondContact O-CA 3.44Å; A179-R183 PolarHBondContact O-N 3.28Å; A179-V184 HydrophobicContact CB-CB 4.21Å; A179-V184 PolarHBondContact O-N 2.92Å
180	G	83	Confident	84.7	Confident	48 Å²	48	45.4 Å²	45.4	50%	0.495	26%	0.26	S	S	.	.	H	α-helix	trans	-62.6	-46	173.8	0	0	0	0	0	113.3	G176 K177 L178 L182 R183	G176-G180 PolarHBondContact O-N 3.03Å; K177-G180 PolarHBondContact O-N 3.14Å; L178-G180 VanDerWaalsContact C-N 3.31Å; L178-G180 PolarHBondContact O-N 3.42Å; G180-L182 VanDerWaalsContact C-N 3.31Å; G180-L182 PolarHBondContact O-N 3.4Å; G180-R183 WeakPolarHBondContact O-CA 3.34Å; G180-R183 PolarHBondContact O-N 3.43Å
181	E	83.8	Confident	85	Confident	96 Å²	96	45.4 Å²	45.4	45%	0.449	26%	0.26	S	S	.	.	H	α-helix	trans	-60	-40.1	177.8	-176.5	170.2	-179.3	0	0	111.8	L118 Y121 K177 L178 R183	L118-E181 WeakPolarHBondContact CD1-OE2 3.46Å; Y121-E181 HydrophobicContact CE1-CG 4.45Å; Y121-E181 WeakPolarHBondContact CE1-OE1 3.43Å; K177-E181 WeakPolarHBondContact O-CB 3.3Å; K177-E181 PolarHBondContact O-N 3.49Å; L178-E181 PolarHBondContact O-N 3.35Å; E181-R183 VanDerWaalsContact C-N 3.3Å
182	L	86.6	Confident	85.4	Confident	4 Å²	4	45 Å²	45	2%	0.021	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	3.2	175.5	-66.5	176.4	0	0	0	113.4	Y121 I136 F138 L178 A179 G180 V184 L193 V198 R200	Y121-L182 HydrophobicContact CD2-CD1 4.5Å; Y121-L182 HydrophobicContact CE2-CD1 4.03Å; Y121-L182 HydrophobicContact CE2-CD2 4.16Å; Y121-L182 HydrophobicContact CE2-CG 4.42Å; Y121-L182 WeakPolarHBondContact OH-CD2 3.49Å; I136-L182 HydrophobicContact CD1-CD1 4.18Å; F138-L182 HydrophobicContact CE2-CD1 4.18Å; F138-L182 HydrophobicContact CZ-CB 4.21Å; F138-L182 HydrophobicContact CZ-CD1 3.67Å; L178-L182 HydrophobicContact CD1-CD1 3.81Å; L178-L182 HydrophobicContact CD1-CG 4.19Å; L178-L182 HydrophobicContact CG-CD1 4.31Å; L178-L182 WeakPolarHBondContact O-CB 3.31Å; L178-L182 PolarHBondContact O-N 3.07Å; A179-L182 CarbonylContact O-C 3.56Å; A179-L182 PolarHBondContact O-N 2.9Å; G180-L182 VanDerWaalsContact C-N 3.31Å; G180-L182 PolarHBondContact O-N 3.4Å; L182-V184 VanDerWaalsContact C-N 3.33Å; L182-V184 HydrophobicContact CB-CG2 4.35Å; L182-V184 PolarHBondContact O-N 2.59Å; L182-L193 HydrophobicContact CD2-CD2 3.73Å; L182-V198 HydrophobicContact CD2-CG1 4.07Å; L182-V198 HydrophobicContact CD2-CG2 3.89Å; L182-R200 PolarHBondContact O-NH2 2.94Å
183	R	79.6	Confident	85.9	Confident	76 Å²	76	44.2 Å²	44.2	29%	0.287	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	51.1	179.2	-67.8	175	168	-150.1	-16.1	112.6	A179 G180 E181 R200 F505 R506 G507 I508	A179-R183 CarbonylContact O-C 3.57Å; A179-R183 WeakPolarHBondContact O-CA 3.44Å; A179-R183 PolarHBondContact O-N 3.28Å; G180-R183 WeakPolarHBondContact O-CA 3.34Å; G180-R183 PolarHBondContact O-N 3.43Å; E181-R183 VanDerWaalsContact C-N 3.3Å; R183-R200 PolarHBondContact O-NH2 2.98Å; R183-F505 PolarHBondContact NH1-O 3.38Å; R183-R506 PolarHBondContact NE-O 3.29Å; R183-R506 PolarHBondContact NH2-O 3.26Å; R183-G507 PolarHBondContact NH2-O 2.95Å; R183-I508 VanDerWaalsContact CZ-O 3.27Å; R183-I508 PolarHBondContact NH1-O 3.22Å; R183-I508 PolarHBondContact NH2-O 2.9Å
184	V	84.1	Confident	86.8	Confident	18 Å²	18	42 Å²	42	11%	0.109	24%	0.239	C	C	.	.			trans	-89.1	107.6	169.7	177.1	0	0	0	0	107.3	F138 A179 L182 S186 V191	F138-V184 HydrophobicContact CB-CG1 3.86Å; F138-V184 HydrophobicContact CD1-CB 4.13Å; F138-V184 HydrophobicContact CD1-CG1 4.02Å; F138-V184 HydrophobicContact CD1-CG2 3.92Å; F138-V184 HydrophobicContact CD2-CG1 4.48Å; F138-V184 HydrophobicContact CD2-CG2 3.7Å; F138-V184 HydrophobicContact CE1-CB 4.38Å; F138-V184 HydrophobicContact CE1-CG2 3.92Å; F138-V184 HydrophobicContact CE2-CG2 3.71Å; F138-V184 HydrophobicContact CG-CB 4.26Å; F138-V184 HydrophobicContact CG-CG1 3.87Å; F138-V184 HydrophobicContact CG-CG2 3.81Å; F138-V184 HydrophobicContact CZ-CG2 3.82Å; A179-V184 HydrophobicContact CB-CB 4.21Å; A179-V184 PolarHBondContact O-N 2.92Å; L182-V184 VanDerWaalsContact C-N 3.33Å; L182-V184 HydrophobicContact CB-CG2 4.35Å; L182-V184 PolarHBondContact O-N 2.59Å; V184-S186 WeakPolarHBondContact CG1-O 3.44Å; V184-V191 HydrophobicContact CG2-CG2 3.8Å
185	T	81.8	Confident	87.1	Confident	141 Å²	141	40.3 Å²	40.3	87%	0.865	24%	0.236	S	C	*	.			trans	-95.8	-17.2	-176.3	52.1	0	0	0	0	113.1
186	S	86.6	Confident	87	Confident	76 Å²	76	41.5 Å²	41.5	53%	0.531	25%	0.254	S	S	.	.	S	Bend	trans	-145.5	156.5	-178.4	58.4	0	0	0	0	110.4	V184 S189	V184-S186 WeakPolarHBondContact CG1-O 3.44Å; S186-S189 VanDerWaalsContact O-CB 3.29Å; S186-S189 WeakPolarHBondContact O-CB 3.44Å
187	V	87.8	Confident	87.2	Confident	45 Å²	45	41.2 Å²	41.2	27%	0.273	24%	0.243	S	C	.	.	S	Bend	trans	-122.6	146.5	172.4	-66.9	0	0	0	0	109.8	F138 C143 A172	F138-V187 HydrophobicContact CB-CG1 4.24Å; C143-V187 HydrophobicContact CB-CG2 4.16Å; A172-V187 HydrophobicContact CB-CG1 3.66Å
188	P	92.1	Very high	87.5	Confident	19 Å²	19	36.8 Å²	36.8	12%	0.123	23%	0.227	C	C	.	.	S	Bend	cis	-67.5	150.6	-5	25.8	-31.1	0	0	0	112.7	F137 F138 A145 I203	F137-P188 HydrophobicContact CE2-CB 3.52Å; F137-P188 HydrophobicContact CZ-CB 3.84Å; F138-P188 WeakPolarHBondContact O-CA 3.42Å; A145-P188 HydrophobicContact CB-CG 4.33Å; P188-I203 HydrophobicContact CB-CD1 3.98Å; P188-I203 HydrophobicContact CB-CG1 4.33Å; P188-I203 HydrophobicContact CG-CD1 4.29Å; P188-I203 HydrophobicContact CG-CG1 4.16Å; P188-I203 HydrophobicContact CG-CG2 4.24Å; P188-I203 WeakPolarHBondContact O-CG1 2.95Å
189	S	91.9	Very high	87.6	Confident	15 Å²	15	40 Å²	40	11%	0.105	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	138.9	173.5	173.6	0	0	0	0	110.6	F138 S186	F138-S189 PolarHBondContact N-O 3.23Å; F138-S189 PolarHBondContact O-N 2.95Å; S186-S189 VanDerWaalsContact O-CB 3.29Å; S186-S189 WeakPolarHBondContact O-CB 3.44Å
190	V	94.2	Very high	87.8	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.5	175.1	175.4	0	0	0	0	110	V135 I136 F137 W153 C201 I203 Y210	V135-V190 HydrophobicContact CG1-CG1 3.58Å; I136-V190 WeakPolarHBondContact O-CA 3.47Å; F137-V190 HydrophobicContact CB-CG2 4.45Å; F137-V190 HydrophobicContact CD2-CG2 3.71Å; W153-V190 HydrophobicContact CE3-CG2 4.48Å; W153-V190 HydrophobicContact CH2-CG1 4.48Å; W153-V190 HydrophobicContact CH2-CG2 4.33Å; W153-V190 HydrophobicContact CZ3-CG1 4.41Å; W153-V190 HydrophobicContact CZ3-CG2 3.8Å; V190-C201 HydrophobicContact CB-CB 3.9Å; V190-C201 HydrophobicContact CG1-CB 3.77Å; V190-C201 PolarHBondContact O-N 3.14Å; V190-I203 HydrophobicContact CG2-CD1 3.98Å; V190-Y210 HydrophobicContact CB-CD1 4.41Å; V190-Y210 HydrophobicContact CB-CE1 4.16Å; V190-Y210 HydrophobicContact CG1-CD1 4.23Å; V190-Y210 HydrophobicContact CG1-CE1 4.46Å; V190-Y210 HydrophobicContact CG2-CD1 4.19Å; V190-Y210 HydrophobicContact CG2-CE1 3.67Å
191	V	93.9	Very high	88.2	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.5	-179.7	175.9	0	0	0	0	109.4	V135 I136 F138 V184 L193 V198 H199	V135-V191 CarbonylContact C-O 3.57Å; V135-V191 WeakPolarHBondContact CA-O 3.25Å; I136-V191 PolarHBondContact N-O 3.34Å; I136-V191 PolarHBondContact O-N 3.19Å; F138-V191 HydrophobicContact CD2-CG2 4.18Å; F138-V191 HydrophobicContact CE2-CB 4.08Å; F138-V191 HydrophobicContact CE2-CG2 3.95Å; V184-V191 HydrophobicContact CG2-CG2 3.8Å; V191-L193 HydrophobicContact CG1-CD2 4.13Å; V191-V198 HydrophobicContact CG1-CG1 3.36Å; V191-H199 CarbonylContact C-O 3.56Å; V191-H199 WeakPolarHBondContact CA-O 3.46Å
192	I	94.9	Very high	88.5	Confident	1 Å²	1	44 Å²	44	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.5	177.7	-48.3	168.7	0	0	0	108.5	P133 Y134 V135 H199 C201 V214 I217	P133-I192 HydrophobicContact CB-CG2 4.25Å; Y134-I192 CarbonylContact O-C 3.47Å; Y134-I192 WeakPolarHBondContact O-CA 3.32Å; V135-I192 HydrophobicContact CG1-CG1 4.31Å; V135-I192 HydrophobicContact CG2-CG1 4.14Å; V135-I192 HydrophobicContact CG2-CG2 4.19Å; I192-H199 HydrophobicContact CB-CB 4.25Å; I192-H199 PolarHBondContact N-O 3.25Å; I192-H199 PolarHBondContact O-N 2.97Å; I192-C201 HydrophobicContact CD1-CB 4.46Å; I192-V214 HydrophobicContact CD1-CB 4.46Å; I192-V214 HydrophobicContact CD1-CG2 3.72Å; I192-V214 HydrophobicContact CG1-CG2 4.42Å; I192-I217 HydrophobicContact CD1-CG2 4.39Å; I192-I217 HydrophobicContact CG2-CD1 3.68Å
193	L	93.9	Very high	88.7	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	122.5	175.8	-52.7	174.5	0	0	0	108.9	Y121 V125 P133 Y134 I136 L182 V191 D197 V198	Y121-L193 HydrophobicContact CD2-CD1 4.12Å; Y121-L193 HydrophobicContact CE2-CD1 3.61Å; V125-L193 HydrophobicContact CG1-CD1 3.65Å; P133-L193 WeakPolarHBondContact CA-O 3.43Å; Y134-L193 PolarHBondContact N-O 3.39Å; Y134-L193 PolarHBondContact O-N 3.34Å; I136-L193 HydrophobicContact CD1-CD1 3.59Å; I136-L193 HydrophobicContact CD1-CG 4.29Å; I136-L193 HydrophobicContact CG1-CD1 4.45Å; L182-L193 HydrophobicContact CD2-CD2 3.73Å; V191-L193 HydrophobicContact CG1-CD2 4.13Å; L193-D197 WeakPolarHBondContact CA-O 3.29Å; L193-V198 HydrophobicContact CD2-CB 4.31Å; L193-V198 HydrophobicContact CD2-CG1 4.14Å; L193-V198 HydrophobicContact CD2-CG2 3.77Å
194	F	93.4	Very high	89.2	Confident	20 Å²	20	44.8 Å²	44.8	9%	0.088	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	130.5	175.8	-176.6	-122.8	0	0	0	110.9	S129 P133 G196 D197 I217 F218	S129-F194 CarbonylContact O-C 3.56Å; S129-F194 WeakPolarHBondContact O-CA 3.42Å; P133-F194 HydrophobicContact CB-CD2 4.46Å; F194-G196 PolarHBondContact O-N 3.46Å; F194-D197 PolarHBondContact N-O 3.49Å; F194-D197 WeakPolarHBondContact O-CA 3.24Å; F194-D197 WeakPolarHBondContact O-CB 3.39Å; F194-D197 PolarHBondContact O-N 3Å; F194-I217 HydrophobicContact CB-CD1 3.9Å; F194-I217 HydrophobicContact CB-CG1 4.42Å; F194-I217 HydrophobicContact CD1-CD1 4.19Å; F194-I217 HydrophobicContact CD1-CG1 3.91Å; F194-I217 HydrophobicContact CG-CD1 4.11Å; F194-I217 HydrophobicContact CG-CG1 4.34Å; F194-F218 HydrophobicContact CE1-CD1 4.05Å; F194-F218 HydrophobicContact CE1-CE1 4.36Å; F194-F218 HydrophobicContact CE2-CE1 4.29Å; F194-F218 AromaticContact CZ-CD1 3.96Å; F194-F218 HydrophobicContact CZ-CD1 3.96Å; F194-F218 AromaticContact CZ-CE1 3.96Å; F194-F218 HydrophobicContact CZ-CE1 3.96Å
195	N	85.4	Confident	89.6	Confident	84 Å²	84	49.4 Å²	49.4	45%	0.449	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	31.7	178.6	-158.1	4.3	0	0	0	114.7	S129 D197	S129-N195 PolarHBondContact O-N 2.87Å; N195-D197 VanDerWaalsContact C-N 3.28Å; N195-D197 PolarHBondContact O-N 3.09Å
196	G	80.3	Confident	90.1	Very high	47 Å²	47	49.5 Å²	49.5	49%	0.485	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	3	-176.6	0	0	0	0	0	115	F194 R506	F194-G196 PolarHBondContact O-N 3.46Å; G196-R506 PolarHBondContact O-NH1 3.41Å
197	D	84.4	Confident	90.4	Very high	35 Å²	35	46.1 Å²	46.1	19%	0.187	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	147.5	172.1	-71.2	-45.1	0	0	0	111.4	L193 F194 N195 H199 R502 R506	L193-D197 WeakPolarHBondContact CA-O 3.29Å; F194-D197 PolarHBondContact N-O 3.49Å; F194-D197 WeakPolarHBondContact O-CA 3.24Å; F194-D197 WeakPolarHBondContact O-CB 3.39Å; F194-D197 PolarHBondContact O-N 3Å; N195-D197 VanDerWaalsContact C-N 3.28Å; N195-D197 PolarHBondContact O-N 3.09Å; D197-H199 WeakPolarHBondContact CB-NE2 3.15Å; D197-R502 IonicContact OD1-CZ 3Å; D197-R502 IonicContact OD1-NH1 3.4Å; D197-R502 PolarHBondContact OD1-NH1 2.87Å; D197-R502 IonicContact OD2-NH1 2.71Å; D197-R502 PolarHBondContact OD2-NH1 3.18Å; D197-R506 IonicContact OD1-CZ 4Å; D197-R506 IonicContact OD1-NH1 3.5Å; D197-R506 IonicContact OD1-NH2 3.52Å; D197-R506 PolarHBondContact OD1-NH2 2.96Å
198	V	86.7	Confident	90.7	Very high	37 Å²	37	48 Å²	48	22%	0.224	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	113.1	179.7	-175.5	0	0	0	0	107.4	L182 V191 L193	L182-V198 HydrophobicContact CD2-CG1 4.07Å; L182-V198 HydrophobicContact CD2-CG2 3.89Å; V191-V198 HydrophobicContact CG1-CG1 3.36Å; L193-V198 HydrophobicContact CD2-CB 4.31Å; L193-V198 HydrophobicContact CD2-CG1 4.14Å; L193-V198 HydrophobicContact CD2-CG2 3.77Å
199	H	89.2	Confident	90.9	Very high	69 Å²	69	49.1 Å²	49.1	32%	0.319	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	141.1	178.9	-58.9	-98.9	0	0	0	109.3	V191 I192 D197 I217	V191-H199 CarbonylContact C-O 3.56Å; V191-H199 WeakPolarHBondContact CA-O 3.46Å; I192-H199 HydrophobicContact CB-CB 4.25Å; I192-H199 PolarHBondContact N-O 3.25Å; I192-H199 PolarHBondContact O-N 2.97Å; D197-H199 WeakPolarHBondContact CB-NE2 3.15Å; H199-I217 HydrophobicContact CB-CG2 4.27Å
200	R	90.5	Very high	91.1	Very high	134 Å²	134	48.6 Å²	48.6	51%	0.506	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	136.5	175.1	-71.5	179.6	-177.2	69.8	6.1	109.2	L182 R183	L182-R200 PolarHBondContact O-NH2 2.94Å; R183-R200 PolarHBondContact O-NH2 2.98Å
201	C	91.3	Very high	91.2	Very high	8 Å²	8	49 Å²	49	5%	0.054	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	125.6	171.9	-151.7	0	0	0	0	109.8	V190 I192 Y210 C213	V190-C201 HydrophobicContact CB-CB 3.9Å; V190-C201 HydrophobicContact CG1-CB 3.77Å; V190-C201 PolarHBondContact O-N 3.14Å; I192-C201 HydrophobicContact CD1-CB 4.46Å; C201-Y210 HydrophobicContact CB-CD1 4.47Å; C201-C213 WeakPolarHBondContact CA-SG 3.16Å; C201-C213 HydrophobicContact CB-CB 4.27Å; C201-C213 WeakPolarHBondContact CB-SG 3.49Å; C201-C213 WeakPolarHBondContact SG-CB 3.49Å; C201-C213 CovalentContact SG-SG 2.04Å; C201-C213 PolarHBondContact SG-SG 2.85Å
202	P	90.1	Very high	91.2	Very high	92 Å²	92	51.7 Å²	51.7	60%	0.597	27%	0.273	S	S	*	.			trans	-55.8	140.5	171.2	-22.5	33.4	0	0	0	110.4	S204	P202-S204 PolarHBondContact O-N 3.47Å
203	I	89.8	Confident	91.3	Very high	70 Å²	70	52 Å²	52	36%	0.359	28%	0.275	S	S	.	.			trans	-68.7	128.2	172.5	-62.4	-60.2	0	0	0	108.3	M149 P188 V190	M149-I203 HydrophobicContact SD-CG2 4.41Å; P188-I203 HydrophobicContact CB-CD1 3.98Å; P188-I203 HydrophobicContact CB-CG1 4.33Å; P188-I203 HydrophobicContact CG-CD1 4.29Å; P188-I203 HydrophobicContact CG-CG1 4.16Å; P188-I203 HydrophobicContact CG-CG2 4.24Å; P188-I203 WeakPolarHBondContact O-CG1 2.95Å; V190-I203 HydrophobicContact CG2-CD1 3.98Å
204	S	91.8	Very high	91.4	Very high	25 Å²	25	51.9 Å²	51.9	18%	0.175	28%	0.275	C	S	.	.			trans	-134.1	153.3	174.9	-178.1	0	0	0	0	110.3	M149 P202 R206 D209 Y210	M149-S204 WeakPolarHBondContact CE-O 3.36Å; P202-S204 PolarHBondContact O-N 3.47Å; S204-R206 VanDerWaalsContact C-N 3.31Å; S204-R206 PolarHBondContact OG-N 2.7Å; S204-R206 VanDerWaalsContact OG-N 3.13Å; S204-D209 WeakPolarHBondContact CB-OD2 3.21Å; S204-D209 PolarHBondContact OG-OD2 3.25Å; S204-Y210 PolarHBondContact N-OH 3.44Å; S204-Y210 VanDerWaalsContact O-CE2 3.26Å; S204-Y210 WeakPolarHBondContact O-CE2 3.08Å; S204-Y210 PolarHBondContact O-OH 3.37Å
205	V	90.6	Very high	91.5	Very high	116 Å²	116	53.8 Å²	53.8	70%	0.703	28%	0.282	S	S	*	.	S	Bend	trans	-79.6	-12.3	171.3	-64.3	0	0	0	0	112.8	V152	V152-V205 WeakPolarHBondContact CG1-O 3.43Å; V152-V205 WeakPolarHBondContact CG2-O 3.43Å
206	R	93.6	Very high	91.8	Very high	143 Å²	143	58.4 Å²	58.4	54%	0.54	29%	0.293	S	S	.	.			trans	-99	128	179.9	-41.2	-171.9	-49.5	166.3	13.3	110.6	S204 Q208 D209 Y210	S204-R206 VanDerWaalsContact C-N 3.31Å; S204-R206 PolarHBondContact OG-N 2.7Å; S204-R206 VanDerWaalsContact OG-N 3.13Å; R206-Q208 VanDerWaalsContact C-N 3.26Å; R206-Q208 PolarHBondContact O-N 2.77Å; R206-D209 WeakPolarHBondContact CB-OD2 3.48Å; R206-D209 IonicContact CZ-OD1 3.71Å; R206-D209 IonicContact CZ-OD2 2.83Å; R206-D209 IonicContact NE-OD1 3.81Å; R206-D209 PolarHBondContact NE-OD1 2.92Å; R206-D209 IonicContact NE-OD2 3.98Å; R206-D209 PolarHBondContact NE-OD2 3.01Å; R206-D209 IonicContact NH2-OD1 2.87Å; R206-D209 PolarHBondContact NH2-OD1 3.03Å; R206-D209 IonicContact NH2-OD2 3.54Å; R206-D209 PolarHBondContact O-N 3.13Å; R206-Y210 WeakPolarHBondContact O-CD2 3.39Å
207	A	93.3	Very high	92.4	Very high	4 Å²	4	57.3 Å²	57.3	3%	0.033	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-37.2	177.6	0	0	0	0	0	112.7	E155 V156 I159 D209 Y210 V211	E155-A207 HydrophobicContact CB-CB 4.24Å; E155-A207 VanDerWaalsContact CD-CB 3.44Å; E155-A207 HydrophobicContact CG-CB 3.84Å; V156-A207 HydrophobicContact CG2-CB 3.69Å; I159-A207 HydrophobicContact CD1-CB 4.09Å; A207-D209 VanDerWaalsContact C-N 3.25Å; A207-D209 PolarHBondContact O-N 3.32Å; A207-Y210 WeakPolarHBondContact O-CB 3.32Å; A207-Y210 PolarHBondContact O-N 3.32Å; A207-Y210 VanDerWaalsContact O-N 3.12Å; A207-V211 PolarHBondContact O-N 2.97Å
208	Q	94.5	Very high	92.8	Very high	85 Å²	85	56.4 Å²	56.4	40%	0.397	27%	0.27	S	S	.	.	H	α-helix	trans	-59.5	-32.1	-179.9	-172.2	58.2	36.6	0	0	113.5	R206 Y210 V211 D212	R206-Q208 VanDerWaalsContact C-N 3.26Å; R206-Q208 PolarHBondContact O-N 2.77Å; Q208-Y210 PolarHBondContact O-N 2.87Å; Q208-V211 WeakPolarHBondContact O-CB 3.28Å; Q208-V211 PolarHBondContact O-N 2.72Å; Q208-D212 PolarHBondContact NE2-OD1 3.18Å; Q208-D212 PolarHBondContact O-N 2.91Å
209	D	96	Very high	93	Very high	43 Å²	43	58.2 Å²	58.2	23%	0.23	28%	0.282	C	S	.	.	H	α-helix	trans	-63.8	-31.9	179.9	-67.5	-33.9	0	0	0	111.8	S204 R206 A207 C213	S204-D209 WeakPolarHBondContact CB-OD2 3.21Å; S204-D209 PolarHBondContact OG-OD2 3.25Å; R206-D209 WeakPolarHBondContact CB-OD2 3.48Å; R206-D209 IonicContact CZ-OD1 3.71Å; R206-D209 IonicContact CZ-OD2 2.83Å; R206-D209 IonicContact NE-OD1 3.81Å; R206-D209 PolarHBondContact NE-OD1 2.92Å; R206-D209 IonicContact NE-OD2 3.98Å; R206-D209 PolarHBondContact NE-OD2 3.01Å; R206-D209 IonicContact NH2-OD1 2.87Å; R206-D209 PolarHBondContact NH2-OD1 3.03Å; R206-D209 IonicContact NH2-OD2 3.54Å; R206-D209 PolarHBondContact O-N 3.13Å; A207-D209 VanDerWaalsContact C-N 3.25Å; A207-D209 PolarHBondContact O-N 3.32Å; D209-C213 WeakPolarHBondContact O-CB 3.22Å; D209-C213 PolarHBondContact O-N 3.09Å
210	Y	95.3	Very high	92.9	Very high	4 Å²	4	60.4 Å²	60.4	2%	0.016	31%	0.306	C	S	.	.	H	α-helix	trans	-72.6	-35.9	174.3	-59.8	-81.5	0	0	0	111.9	M149 V152 V156 V190 C201 S204 R206 A207 Q208 C213 V214	M149-Y210 HydrophobicContact CE-CE2 4.47Å; M149-Y210 VanDerWaalsContact CE-OH 3.31Å; M149-Y210 WeakPolarHBondContact CE-OH 3.43Å; V152-Y210 HydrophobicContact CG1-CE2 4.31Å; V156-Y210 HydrophobicContact CG1-CG 4.29Å; V156-Y210 HydrophobicContact CG2-CD2 3.46Å; V156-Y210 VanDerWaalsContact CG2-CD2 3.46Å; V156-Y210 HydrophobicContact CG2-CE2 4.1Å; V156-Y210 HydrophobicContact CG2-CG 3.99Å; V190-Y210 HydrophobicContact CB-CD1 4.41Å; V190-Y210 HydrophobicContact CB-CE1 4.16Å; V190-Y210 HydrophobicContact CG1-CD1 4.23Å; V190-Y210 HydrophobicContact CG1-CE1 4.46Å; V190-Y210 HydrophobicContact CG2-CD1 4.19Å; V190-Y210 HydrophobicContact CG2-CE1 3.67Å; C201-Y210 HydrophobicContact CB-CD1 4.47Å; S204-Y210 PolarHBondContact N-OH 3.44Å; S204-Y210 VanDerWaalsContact O-CE2 3.26Å; S204-Y210 WeakPolarHBondContact O-CE2 3.08Å; S204-Y210 PolarHBondContact O-OH 3.37Å; R206-Y210 WeakPolarHBondContact O-CD2 3.39Å; A207-Y210 WeakPolarHBondContact O-CB 3.32Å; A207-Y210 PolarHBondContact O-N 3.32Å; A207-Y210 VanDerWaalsContact O-N 3.12Å; Q208-Y210 PolarHBondContact O-N 2.87Å; Y210-C213 WeakPolarHBondContact O-CB 3.35Å; Y210-C213 PolarHBondContact O-N 2.88Å; Y210-V214 WeakPolarHBondContact O-CG2 3.4Å; Y210-V214 PolarHBondContact O-N 2.94Å
211	V	95.4	Very high	92.7	Very high	8 Å²	8	61.5 Å²	61.5	5%	0.048	32%	0.316	C	S	.	.	H	α-helix	trans	-62.6	-49.7	174.6	-178.6	0	0	0	0	110	I159 L160 A207 Q208 C213 V214 R215 L258	I159-V211 HydrophobicContact CG2-CG2 3.65Å; L160-V211 HydrophobicContact CD2-CG2 4.47Å; A207-V211 PolarHBondContact O-N 2.97Å; Q208-V211 WeakPolarHBondContact O-CB 3.28Å; Q208-V211 PolarHBondContact O-N 2.72Å; V211-C213 VanDerWaalsContact C-N 3.27Å; V211-C213 PolarHBondContact O-N 2.9Å; V211-V214 PolarHBondContact O-N 2.85Å; V211-V214 VanDerWaalsContact O-N 3.16Å; V211-R215 PolarHBondContact O-N 2.95Å; V211-L258 HydrophobicContact CG1-CD2 4Å
212	D	95.6	Very high	92.9	Very high	57 Å²	57	61.5 Å²	61.5	31%	0.305	32%	0.316	S	S	.	.	H	α-helix	trans	-64.8	-34.4	179.1	-64	-19.7	0	0	0	111.8	Q208 R215 R216	Q208-D212 PolarHBondContact NE2-OD1 3.18Å; Q208-D212 PolarHBondContact O-N 2.91Å; D212-R215 PolarHBondContact O-N 3.43Å; D212-R216 WeakPolarHBondContact O-CG 3.49Å; D212-R216 PolarHBondContact O-N 2.93Å; D212-R216 VanDerWaalsContact O-N 3.1Å; D212-R216 PolarHBondContact O-NE 3.12Å
213	C	95.2	Very high	93.2	Very high	8 Å²	8	57.4 Å²	57.4	5%	0.054	29%	0.289	C	S	.	.	H	α-helix	trans	-64.5	-42.1	173.5	-171.3	0	0	0	0	112.8	C201 D209 Y210 V211 I217	C201-C213 WeakPolarHBondContact CA-SG 3.16Å; C201-C213 HydrophobicContact CB-CB 4.27Å; C201-C213 WeakPolarHBondContact CB-SG 3.49Å; C201-C213 WeakPolarHBondContact SG-CB 3.49Å; C201-C213 CovalentContact SG-SG 2.04Å; C201-C213 PolarHBondContact SG-SG 2.85Å; D209-C213 WeakPolarHBondContact O-CB 3.22Å; D209-C213 PolarHBondContact O-N 3.09Å; Y210-C213 WeakPolarHBondContact O-CB 3.35Å; Y210-C213 PolarHBondContact O-N 2.88Å; V211-C213 VanDerWaalsContact C-N 3.27Å; V211-C213 PolarHBondContact O-N 2.9Å; C213-I217 WeakPolarHBondContact O-CG2 3.28Å
214	V	96.8	Very high	93.5	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-66.4	-42.5	171.7	174.8	0	0	0	0	110.6	P133 V135 L160 V165 I192 Y210 V211 R216 I217 F218 L258	P133-V214 HydrophobicContact CB-CG1 4.34Å; P133-V214 HydrophobicContact CG-CG1 4.23Å; V135-V214 HydrophobicContact CG2-CG2 3.75Å; L160-V214 HydrophobicContact CD1-CG2 4.49Å; L160-V214 HydrophobicContact CD2-CG2 4.05Å; V165-V214 HydrophobicContact CG2-CG1 4.12Å; I192-V214 HydrophobicContact CD1-CB 4.46Å; I192-V214 HydrophobicContact CD1-CG2 3.72Å; I192-V214 HydrophobicContact CG1-CG2 4.42Å; Y210-V214 WeakPolarHBondContact O-CG2 3.4Å; Y210-V214 PolarHBondContact O-N 2.94Å; V211-V214 PolarHBondContact O-N 2.85Å; V211-V214 VanDerWaalsContact O-N 3.16Å; V214-R216 VanDerWaalsContact C-N 3.29Å; V214-R216 PolarHBondContact O-N 3.28Å; V214-I217 HydrophobicContact CG1-CD1 4.22Å; V214-I217 WeakPolarHBondContact O-CD1 3.35Å; V214-I217 WeakPolarHBondContact O-CG1 3.42Å; V214-I217 PolarHBondContact O-N 3.32Å; V214-F218 HydrophobicContact CG1-CE2 4.1Å; V214-L258 HydrophobicContact CG1-CD1 4.19Å
215	R	95.7	Very high	93.7	Very high	60 Å²	60	61.7 Å²	61.7	23%	0.226	31%	0.306	C	S	.	.	H	α-helix	trans	-57.3	-41.6	-179.1	-134.8	174.7	-171.2	157.7	-5.4	112.3	V211 D212 I217 F218 E255 P256 L258 L261	V211-R215 PolarHBondContact O-N 2.95Å; D212-R215 PolarHBondContact O-N 3.43Å; R215-I217 PolarHBondContact O-N 3.31Å; R215-I217 VanDerWaalsContact O-N 3.17Å; R215-F218 PolarHBondContact O-N 3.21Å; R215-E255 IonicContact CZ-OE2 2.78Å; R215-E255 IonicContact NE-OE2 3.05Å; R215-E255 IonicContact NH1-OE2 3.33Å; R215-E255 IonicContact NH2-OE2 2.67Å; R215-P256 PolarHBondContact NH2-O 3.21Å; R215-L258 HydrophobicContact CG-CD1 4.38Å; R215-L261 HydrophobicContact CG-CD1 3.51Å
216	R	92.6	Very high	93.9	Very high	181 Å²	181	56.8 Å²	56.8	68%	0.683	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.2	-179.7	-77.6	-178.7	-70.7	147.9	-8	115.5	D212 V214	D212-R216 WeakPolarHBondContact O-CG 3.49Å; D212-R216 PolarHBondContact O-N 2.93Å; D212-R216 VanDerWaalsContact O-N 3.1Å; D212-R216 PolarHBondContact O-NE 3.12Å; V214-R216 VanDerWaalsContact C-N 3.29Å; V214-R216 PolarHBondContact O-N 3.28Å
217	I	92.1	Very high	93.8	Very high	23 Å²	23	59.6 Å²	59.6	12%	0.118	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-21.1	-179.7	82.8	-162.1	0	0	0	112.4	P133 I192 F194 H199 C213 V214 R215	P133-I217 HydrophobicContact CB-CD1 3.78Å; I192-I217 HydrophobicContact CD1-CG2 4.39Å; I192-I217 HydrophobicContact CG2-CD1 3.68Å; F194-I217 HydrophobicContact CB-CD1 3.9Å; F194-I217 HydrophobicContact CB-CG1 4.42Å; F194-I217 HydrophobicContact CD1-CD1 4.19Å; F194-I217 HydrophobicContact CD1-CG1 3.91Å; F194-I217 HydrophobicContact CG-CD1 4.11Å; F194-I217 HydrophobicContact CG-CG1 4.34Å; H199-I217 HydrophobicContact CB-CG2 4.27Å; C213-I217 WeakPolarHBondContact O-CG2 3.28Å; V214-I217 HydrophobicContact CG1-CD1 4.22Å; V214-I217 WeakPolarHBondContact O-CD1 3.35Å; V214-I217 WeakPolarHBondContact O-CG1 3.42Å; V214-I217 PolarHBondContact O-N 3.32Å; R215-I217 PolarHBondContact O-N 3.31Å; R215-I217 VanDerWaalsContact O-N 3.17Å
218	F	93.7	Very high	93.5	Very high	17 Å²	17	60.5 Å²	60.5	8%	0.075	30%	0.302	C	S	.	.	S	Bend	trans	-76	141.6	-179.1	-66.4	-76.5	0	0	0	109.7	P133 F194 V214 R215 L222 L258 L261 V262	P133-F218 HydrophobicContact CG-CE1 4.45Å; P133-F218 HydrophobicContact CG-CE2 4.48Å; P133-F218 HydrophobicContact CG-CZ 3.72Å; F194-F218 HydrophobicContact CE1-CD1 4.05Å; F194-F218 HydrophobicContact CE1-CE1 4.36Å; F194-F218 HydrophobicContact CE2-CE1 4.29Å; F194-F218 AromaticContact CZ-CD1 3.96Å; F194-F218 HydrophobicContact CZ-CD1 3.96Å; F194-F218 AromaticContact CZ-CE1 3.96Å; F194-F218 HydrophobicContact CZ-CE1 3.96Å; V214-F218 HydrophobicContact CG1-CE2 4.1Å; R215-F218 PolarHBondContact O-N 3.21Å; F218-L222 HydrophobicContact CB-CD2 4.03Å; F218-L222 HydrophobicContact CD1-CD2 3.6Å; F218-L222 HydrophobicContact CE1-CD2 4.38Å; F218-L222 HydrophobicContact CG-CD2 4.1Å; F218-L258 HydrophobicContact CE2-CD1 3.88Å; F218-L261 HydrophobicContact CD2-CB 4.01Å; F218-L261 HydrophobicContact CD2-CD1 4.19Å; F218-L261 HydrophobicContact CE2-CB 4.02Å; F218-L261 HydrophobicContact CG-CB 4.25Å; F218-L261 HydrophobicContact CZ-CB 4.27Å; F218-V262 HydrophobicContact CZ-CG2 3.93Å
219	P	89.7	Confident	93.3	Very high	75 Å²	75	59.5 Å²	59.5	49%	0.487	30%	0.295	S	S	.	.			trans	-65.5	142.1	175	24.9	-27.9	0	0	0	110.2	E221 L222	P219-E221 PolarHBondContact O-N 3.09Å; P219-L222 HydrophobicContact CG-CB 4.1Å; P219-L222 WeakPolarHBondContact O-CB 3.4Å; P219-L222 PolarHBondContact O-N 3.14Å
220	S	87.1	Confident	93	Very high	115 Å²	115	60.1 Å²	60.1	80%	0.804	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-59.4	-31.6	-179.8	48.8	0	0	0	0	113.1	L222	S220-L222 PolarHBondContact O-N 3.03Å
221	E	87.4	Confident	93	Very high	156 Å²	156	63.3 Å²	63.3	73%	0.729	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-81.9	4.1	179	-61.4	176.7	-171.4	0	0	113.5	P219 I223	P219-E221 PolarHBondContact O-N 3.09Å; E221-I223 VanDerWaalsContact C-N 3.3Å; E221-I223 PolarHBondContact O-N 2.93Å
222	L	94	Very high	93	Very high	8 Å²	8	63 Å²	63	4%	0.042	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-62.1	-39.9	-178.7	-175	60.5	0	0	0	112.2	F218 P219 S220 L261 A264 F268	F218-L222 HydrophobicContact CB-CD2 4.03Å; F218-L222 HydrophobicContact CD1-CD2 3.6Å; F218-L222 HydrophobicContact CE1-CD2 4.38Å; F218-L222 HydrophobicContact CG-CD2 4.1Å; P219-L222 HydrophobicContact CG-CB 4.1Å; P219-L222 WeakPolarHBondContact O-CB 3.4Å; P219-L222 PolarHBondContact O-N 3.14Å; S220-L222 PolarHBondContact O-N 3.03Å; L222-L261 HydrophobicContact CD2-CD2 4.26Å; L222-L261 WeakPolarHBondContact CD2-O 3.39Å; L222-A264 HydrophobicContact CD1-CB 4.09Å; L222-A264 HydrophobicContact CD2-CB 4.09Å; L222-A264 HydrophobicContact CG-CB 3.78Å; L222-F268 HydrophobicContact CD1-CD2 3.61Å; L222-F268 HydrophobicContact CD1-CE2 4.13Å; L222-F268 HydrophobicContact CD1-CG 4.3Å
223	I	97.3	Very high	93	Very high	6 Å²	6	62.3 Å²	62.3	3%	0.031	33%	0.325	C	S	.	.	S	Bend	trans	-131.9	120.1	177.2	-55	-174.4	0	0	0	107.7	E221 F249 P256 A260 L261 A264 F273	E221-I223 VanDerWaalsContact C-N 3.3Å; E221-I223 PolarHBondContact O-N 2.93Å; I223-F249 HydrophobicContact CD1-CD2 4.21Å; I223-F249 HydrophobicContact CD1-CE2 4.26Å; I223-P256 HydrophobicContact CD1-CB 4.18Å; I223-P256 HydrophobicContact CD1-CG 4.25Å; I223-A260 HydrophobicContact CD1-CB 3.99Å; I223-L261 HydrophobicContact CD1-CD2 3.83Å; I223-L261 HydrophobicContact CD1-CG 4.37Å; I223-L261 HydrophobicContact CG1-CD2 4.15Å; I223-A264 HydrophobicContact CD1-CB 3.9Å; I223-A264 HydrophobicContact CG1-CB 3.77Å; I223-F273 WeakPolarHBondContact CA-O 3.26Å; I223-F273 HydrophobicContact CB-CB 4.35Å; I223-F273 HydrophobicContact CG1-CB 3.87Å; I223-F273 HydrophobicContact CG2-CB 4.3Å
224	L	96.5	Very high	93.1	Very high	78 Å²	78	64.9 Å²	64.9	41%	0.408	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	129.3	-179.4	-63.9	176.5	0	0	0	110.7	L226 F235 F273 G274 Y275	L224-L226 PolarHBondContact O-N 2.97Å; L224-F235 HydrophobicContact CD1-CD2 3.98Å; L224-F235 HydrophobicContact CD1-CE2 4.18Å; L224-F273 PolarHBondContact N-O 3.46Å; L224-G274 CarbonylContact O-C 3.53Å; L224-G274 VanDerWaalsContact O-CA 3.27Å; L224-G274 WeakPolarHBondContact O-CA 3.33Å; L224-Y275 PolarHBondContact O-N 2.97Å
225	H	95.9	Very high	93.1	Very high	107 Å²	107	65.4 Å²	65.4	50%	0.495	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	125.4	173	-74.6	-105.2	0	0	0	110.2	S254 Y275	H225-S254 PolarHBondContact CE1-O 3.36Å; H225-Y275 WeakPolarHBondContact CA-O 3.22Å; H225-Y275 AromaticContact CE1-CD1 3.57Å; H225-Y275 AromaticContact ND1-CD1 3.62Å
226	L	94.7	Very high	93.2	Very high	14 Å²	14	62.8 Å²	62.8	7%	0.073	34%	0.339	C	S	.	.			trans	-111.2	126.7	-178.5	-53.6	176.6	0	0	0	108.7	L224 D231 F232 F235 V248 Y275 V276	L224-L226 PolarHBondContact O-N 2.97Å; L226-D231 HydrophobicContact CB-CB 4.39Å; L226-D231 HydrophobicContact CD2-CB 4.36Å; L226-F232 HydrophobicContact CD1-CB 4.1Å; L226-F232 HydrophobicContact CD1-CD2 4.26Å; L226-F235 HydrophobicContact CD1-CD1 4.1Å; L226-F235 HydrophobicContact CD1-CG 4.27Å; L226-F235 HydrophobicContact CD2-CB 3.84Å; L226-F235 HydrophobicContact CD2-CD2 4.33Å; L226-F235 HydrophobicContact CD2-CG 4.06Å; L226-V248 HydrophobicContact CD1-CG1 4.37Å; L226-Y275 PolarHBondContact N-O 2.86Å; L226-V276 HydrophobicContact CB-CG2 3.95Å; L226-V276 HydrophobicContact CD1-CG2 4.26Å
227	K	90.6	Very high	93.3	Very high	201 Å²	201	59.5 Å²	59.5	87%	0.874	34%	0.335	S	S	*	.			trans	-81.7	-18.7	-176	-58.1	176.7	177.6	177	0	113.1	D231	K227-D231 VanDerWaalsContact CB-OD2 3.22Å; K227-D231 WeakPolarHBondContact CB-OD2 3.39Å; K227-D231 PolarHBondContact N-OD2 3.02Å
228	G	87.8	Confident	93.5	Very high	24 Å²	24	61.8 Å²	61.8	25%	0.247	35%	0.347	C	S	.	.	S	Bend	trans	-179.3	-170.2	-179	0	0	0	0	0	113.1	G230 D231 F232	G228-G230 VanDerWaalsContact C-N 3.34Å; G228-G230 PolarHBondContact O-N 3.46Å; G228-D231 PolarHBondContact O-N 3.39Å; G228-F232 PolarHBondContact O-N 2.78Å
229	Y	90.4	Very high	93.6	Very high	63 Å²	63	61 Å²	61	25%	0.247	34%	0.344	C	S	.	.	H	α-helix	trans	-64.4	-35.4	-175.6	-171.7	-103.1	0	0	0	113.1	F232 V233 F285 S305	Y229-F232 AromaticContact CD2-CD1 3.85Å; Y229-F232 HydrophobicContact CD2-CD1 3.85Å; Y229-F232 HydrophobicContact CD2-CE1 4.45Å; Y229-F232 AromaticContact CE2-CD1 3.73Å; Y229-F232 HydrophobicContact CE2-CD1 3.73Å; Y229-F232 AromaticContact CE2-CE1 3.91Å; Y229-F232 HydrophobicContact CE2-CE1 3.91Å; Y229-F232 WeakPolarHBondContact O-CB 3.32Å; Y229-F232 PolarHBondContact O-N 3.19Å; Y229-V233 HydrophobicContact CD1-CG2 4.01Å; Y229-V233 HydrophobicContact CE1-CG2 3.61Å; Y229-V233 WeakPolarHBondContact O-CG2 3.23Å; Y229-V233 PolarHBondContact O-N 3.01Å; Y229-F285 AromaticContact CD2-CD1 3.85Å; Y229-F285 HydrophobicContact CD2-CD1 3.85Å; Y229-F285 HydrophobicContact CD2-CD2 4.3Å; Y229-F285 AromaticContact CD2-CE1 3.81Å; Y229-F285 HydrophobicContact CD2-CE1 3.81Å; Y229-F285 HydrophobicContact CD2-CE2 4.29Å; Y229-F285 HydrophobicContact CD2-CG 4.13Å; Y229-F285 HydrophobicContact CD2-CZ 4.07Å; Y229-F285 HydrophobicContact CE2-CD1 4.33Å; Y229-F285 HydrophobicContact CE2-CE1 4.32Å; Y229-S305 PolarHBondContact OH-O 3.47Å
230	G	90.3	Very high	93.8	Very high	56 Å²	56	59.3 Å²	59.3	58%	0.577	33%	0.332	S	S	*	.	H	α-helix	trans	-60.8	-48.7	177.2	0	0	0	0	0	113	G228 F232 V233 A234	G228-G230 VanDerWaalsContact C-N 3.34Å; G228-G230 PolarHBondContact O-N 3.46Å; G230-F232 PolarHBondContact O-N 3.44Å; G230-V233 PolarHBondContact O-N 2.93Å; G230-A234 PolarHBondContact O-N 3.26Å
231	D	93.5	Very high	94	Very high	72 Å²	72	57 Å²	57	39%	0.385	32%	0.316	S	S	.	.	H	α-helix	trans	-60.3	-37.9	175.2	-67.8	-6.9	0	0	0	111.3	L226 K227 G228 A234 F235	L226-D231 HydrophobicContact CB-CB 4.39Å; L226-D231 HydrophobicContact CD2-CB 4.36Å; K227-D231 VanDerWaalsContact CB-OD2 3.22Å; K227-D231 WeakPolarHBondContact CB-OD2 3.39Å; K227-D231 PolarHBondContact N-OD2 3.02Å; G228-D231 PolarHBondContact O-N 3.39Å; D231-A234 PolarHBondContact O-N 3.05Å; D231-F235 VanDerWaalsContact O-CB 3.31Å; D231-F235 WeakPolarHBondContact O-CB 3.48Å; D231-F235 PolarHBondContact O-N 2.91Å
232	F	95.6	Very high	94.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.5	-42.1	175.8	163	-102.7	0	0	0	112.9	L226 G228 Y229 G230 A234 F235 H236 V248 F285 F301	L226-F232 HydrophobicContact CD1-CB 4.1Å; L226-F232 HydrophobicContact CD1-CD2 4.26Å; G228-F232 PolarHBondContact O-N 2.78Å; Y229-F232 AromaticContact CD2-CD1 3.85Å; Y229-F232 HydrophobicContact CD2-CD1 3.85Å; Y229-F232 HydrophobicContact CD2-CE1 4.45Å; Y229-F232 AromaticContact CE2-CD1 3.73Å; Y229-F232 HydrophobicContact CE2-CD1 3.73Å; Y229-F232 AromaticContact CE2-CE1 3.91Å; Y229-F232 HydrophobicContact CE2-CE1 3.91Å; Y229-F232 WeakPolarHBondContact O-CB 3.32Å; Y229-F232 PolarHBondContact O-N 3.19Å; G230-F232 PolarHBondContact O-N 3.44Å; F232-A234 VanDerWaalsContact C-N 3.31Å; F232-A234 PolarHBondContact O-N 3.48Å; F232-F235 HydrophobicContact CD2-CD1 4.16Å; F232-F235 WeakPolarHBondContact O-CB 3.33Å; F232-F235 PolarHBondContact O-N 3.4Å; F232-H236 HydrophobicContact CE2-CB 4.22Å; F232-H236 HydrophobicContact CZ-CB 4.23Å; F232-H236 VanDerWaalsContact O-CB 3.24Å; F232-H236 WeakPolarHBondContact O-CB 3.48Å; F232-H236 PolarHBondContact O-N 3.3Å; F232-V248 HydrophobicContact CD2-CG2 3.72Å; F232-V248 HydrophobicContact CE2-CG2 3.6Å; F232-F285 HydrophobicContact CB-CE1 4.13Å; F232-F285 HydrophobicContact CB-CE2 4.38Å; F232-F285 HydrophobicContact CB-CZ 3.46Å; F232-F285 VanDerWaalsContact CB-CZ 3.46Å; F232-F285 AromaticContact CD1-CE1 3.62Å; F232-F285 HydrophobicContact CD1-CE1 3.62Å; F232-F285 AromaticContact CD1-CZ 3.86Å; F232-F285 HydrophobicContact CD1-CZ 3.86Å; F232-F285 HydrophobicContact CD2-CE1 4.18Å; F232-F285 HydrophobicContact CD2-CZ 4.2Å; F232-F285 HydrophobicContact CE1-CE1 4.06Å; F232-F285 AromaticContact CG-CE1 3.68Å; F232-F285 HydrophobicContact CG-CE1 3.68Å; F232-F285 AromaticContact CG-CZ 3.55Å; F232-F285 HydrophobicContact CG-CZ 3.55Å; F232-F301 HydrophobicContact CE1-CE1 4.26Å; F232-F301 HydrophobicContact CE1-CZ 4.26Å; F232-F301 AromaticContact CE2-CD2 3.73Å; F232-F301 HydrophobicContact CE2-CD2 3.73Å; F232-F301 AromaticContact CE2-CE2 3.75Å; F232-F301 HydrophobicContact CE2-CE2 3.75Å; F232-F301 HydrophobicContact CE2-CG 4.22Å; F232-F301 HydrophobicContact CE2-CZ 4.26Å; F232-F301 HydrophobicContact CZ-CB 4.46Å; F232-F301 AromaticContact CZ-CD1 3.79Å; F232-F301 HydrophobicContact CZ-CD1 3.79Å; F232-F301 AromaticContact CZ-CD2 3.61Å; F232-F301 HydrophobicContact CZ-CD2 3.61Å; F232-F301 AromaticContact CZ-CE1 3.76Å; F232-F301 HydrophobicContact CZ-CE1 3.76Å; F232-F301 AromaticContact CZ-CE2 3.58Å; F232-F301 HydrophobicContact CZ-CE2 3.58Å; F232-F301 AromaticContact CZ-CG 3.71Å; F232-F301 HydrophobicContact CZ-CG 3.71Å; F232-F301 AromaticContact CZ-CZ 3.66Å; F232-F301 HydrophobicContact CZ-CZ 3.66Å
233	V	96.3	Very high	94.4	Very high	43 Å²	43	52.7 Å²	52.7	26%	0.261	30%	0.296	S	S	.	.	H	α-helix	trans	-60	-45.2	176.9	172.3	0	0	0	0	110.2	Y229 G230 H236 L237	Y229-V233 HydrophobicContact CD1-CG2 4.01Å; Y229-V233 HydrophobicContact CE1-CG2 3.61Å; Y229-V233 WeakPolarHBondContact O-CG2 3.23Å; Y229-V233 PolarHBondContact O-N 3.01Å; G230-V233 PolarHBondContact O-N 2.93Å; V233-H236 PolarHBondContact O-N 2.88Å; V233-L237 HydrophobicContact CG1-CD1 3.98Å; V233-L237 HydrophobicContact CG1-CG 4.47Å; V233-L237 WeakPolarHBondContact O-CB 3.49Å; V233-L237 VanDerWaalsContact O-CG 3.27Å; V233-L237 WeakPolarHBondContact O-CG 3.37Å; V233-L237 PolarHBondContact O-N 2.65Å
234	A	96.3	Very high	94.3	Very high	63 Å²	63	53.4 Å²	53.4	52%	0.521	30%	0.299	S	S	.	.	H	α-helix	trans	-63	-45.2	176.2	0	0	0	0	0	112.3	G230 D231 F232 H236 N238	G230-A234 PolarHBondContact O-N 3.26Å; D231-A234 PolarHBondContact O-N 3.05Å; F232-A234 VanDerWaalsContact C-N 3.31Å; F232-A234 PolarHBondContact O-N 3.48Å; A234-H236 VanDerWaalsContact C-N 3.34Å; A234-H236 PolarHBondContact O-N 3.24Å; A234-N238 WeakPolarHBondContact O-CB 3.37Å; A234-N238 PolarHBondContact O-N 3.3Å
235	F	96.9	Very high	94.4	Very high	12 Å²	12	49.8 Å²	49.8	5%	0.053	28%	0.279	C	S	.	.	H	α-helix	trans	-58.7	-43.2	174.6	164.3	-96.4	0	0	0	112.5	L224 L226 D231 F232 N238 S239 V248 H272 F273	L224-F235 HydrophobicContact CD1-CD2 3.98Å; L224-F235 HydrophobicContact CD1-CE2 4.18Å; L226-F235 HydrophobicContact CD1-CD1 4.1Å; L226-F235 HydrophobicContact CD1-CG 4.27Å; L226-F235 HydrophobicContact CD2-CB 3.84Å; L226-F235 HydrophobicContact CD2-CD2 4.33Å; L226-F235 HydrophobicContact CD2-CG 4.06Å; D231-F235 VanDerWaalsContact O-CB 3.31Å; D231-F235 WeakPolarHBondContact O-CB 3.48Å; D231-F235 PolarHBondContact O-N 2.91Å; F232-F235 HydrophobicContact CD2-CD1 4.16Å; F232-F235 WeakPolarHBondContact O-CB 3.33Å; F232-F235 PolarHBondContact O-N 3.4Å; F235-N238 PolarHBondContact O-N 3.46Å; F235-S239 WeakPolarHBondContact O-CB 3.28Å; F235-S239 PolarHBondContact O-N 2.98Å; F235-S239 PolarHBondContact O-OG 3Å; F235-V248 HydrophobicContact CE1-CG2 4.21Å; F235-H272 HydrophobicContact CE2-CB 3.9Å; F235-H272 HydrophobicContact CZ-CB 3.77Å; F235-F273 VanDerWaalsContact CZ-C 3.49Å
236	H	97.6	Very high	94.5	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.019	26%	0.256	C	S	.	.	H	α-helix	trans	-66.6	-48.8	-179.3	-178.8	68.9	0	0	0	111.3	F232 V233 A234 N238 S239 V240 S246 K302 E303 S305	F232-H236 HydrophobicContact CE2-CB 4.22Å; F232-H236 HydrophobicContact CZ-CB 4.23Å; F232-H236 VanDerWaalsContact O-CB 3.24Å; F232-H236 WeakPolarHBondContact O-CB 3.48Å; F232-H236 PolarHBondContact O-N 3.3Å; V233-H236 PolarHBondContact O-N 2.88Å; A234-H236 VanDerWaalsContact C-N 3.34Å; A234-H236 PolarHBondContact O-N 3.24Å; H236-N238 VanDerWaalsContact C-N 3.27Å; H236-N238 PolarHBondContact O-N 3.05Å; H236-S239 WeakPolarHBondContact O-CB 3.17Å; H236-S239 PolarHBondContact O-N 2.88Å; H236-V240 WeakPolarHBondContact O-CG2 3.48Å; H236-V240 PolarHBondContact O-N 3.45Å; H236-S246 WeakPolarHBondContact ND1-CB 3.21Å; H236-S246 PolarHBondContact ND1-OG 2.92Å; H236-K302 PolarHBondContact CE1-O 2.86Å; H236-E303 PolarHBondContact NE2-O 3.35Å; H236-S305 PolarHBondContact NE2-N 3.29Å
237	L	96.1	Very high	94.7	Very high	112 Å²	112	44 Å²	44	59%	0.586	25%	0.252	S	S	*	.	H	α-helix	trans	-56.5	-43.5	175.5	-72.6	169.9	0	0	0	111.4	V233 S239 V240 S241	V233-L237 HydrophobicContact CG1-CD1 3.98Å; V233-L237 HydrophobicContact CG1-CG 4.47Å; V233-L237 WeakPolarHBondContact O-CB 3.49Å; V233-L237 VanDerWaalsContact O-CG 3.27Å; V233-L237 WeakPolarHBondContact O-CG 3.37Å; V233-L237 PolarHBondContact O-N 2.65Å; L237-S239 VanDerWaalsContact C-N 3.35Å; L237-S239 PolarHBondContact O-N 3.11Å; L237-V240 PolarHBondContact O-N 3.1Å; L237-S241 WeakPolarHBondContact O-CB 3.36Å; L237-S241 PolarHBondContact O-N 3.27Å
238	N	95.7	Very high	95	Very high	71 Å²	71	34.4 Å²	34.4	38%	0.38	21%	0.211	S	C	.	.	H	α-helix	trans	-61.1	-44	175.4	-174.6	28.4	0	0	0	111.7	A234 F235 H236 S241 H242	A234-N238 WeakPolarHBondContact O-CB 3.37Å; A234-N238 PolarHBondContact O-N 3.3Å; F235-N238 PolarHBondContact O-N 3.46Å; H236-N238 VanDerWaalsContact C-N 3.27Å; H236-N238 PolarHBondContact O-N 3.05Å; N238-S241 PolarHBondContact O-N 3.45Å; N238-S241 PolarHBondContact O-OG 3.04Å; N238-H242 PolarHBondContact O-N 3.32Å; N238-H242 VanDerWaalsContact O-N 3.15Å; N238-H242 PolarHBondContact O-ND1 3.3Å; N238-H242 PolarHBondContact OD1-CE1 2.93Å; N238-H242 PolarHBondContact OD1-ND1 3.49Å
239	S	95.8	Very high	95.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-47.1	179.2	-56.8	0	0	0	0	112.6	F235 H236 L237 S241 H242 N243 K244 S246 H272	F235-S239 WeakPolarHBondContact O-CB 3.28Å; F235-S239 PolarHBondContact O-N 2.98Å; F235-S239 PolarHBondContact O-OG 3Å; H236-S239 WeakPolarHBondContact O-CB 3.17Å; H236-S239 PolarHBondContact O-N 2.88Å; L237-S239 VanDerWaalsContact C-N 3.35Å; L237-S239 PolarHBondContact O-N 3.11Å; S239-S241 VanDerWaalsContact C-N 3.34Å; S239-S241 PolarHBondContact O-N 2.92Å; S239-H242 CarbonylContact O-C 3.56Å; S239-H242 PolarHBondContact O-N 3.24Å; S239-N243 PolarHBondContact O-N 3.35Å; S239-K244 CarbonylContact C-O 3.59Å; S239-K244 PolarHBondContact O-N 3.39Å; S239-S246 VanDerWaalsContact CB-OG 3.23Å; S239-S246 WeakPolarHBondContact CB-OG 3.12Å; S239-H272 WeakPolarHBondContact CA-ND1 3.44Å; S239-H272 WeakPolarHBondContact OG-CB 3.32Å; S239-H272 PolarHBondContact OG-ND1 2.89Å
240	V	94.4	Very high	95.6	Very high	41 Å²	41	30.7 Å²	30.7	25%	0.248	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-40.9	177.2	176.6	0	0	0	0	111.1	H236 L237 H242 N243 K302	H236-V240 WeakPolarHBondContact O-CG2 3.48Å; H236-V240 PolarHBondContact O-N 3.45Å; L237-V240 PolarHBondContact O-N 3.1Å; V240-H242 VanDerWaalsContact C-N 3.26Å; V240-H242 PolarHBondContact O-N 3.09Å; V240-N243 WeakPolarHBondContact O-CA 3.46Å; V240-N243 PolarHBondContact O-N 3.01Å; V240-K302 VanDerWaalsContact CG2-O 3.32Å; V240-K302 WeakPolarHBondContact CG2-O 3.47Å
241	S	91.9	Very high	95.7	Very high	65 Å²	65	28.5 Å²	28.5	46%	0.455	17%	0.166	S	C	.	.	H	α-helix	trans	-60.7	-36.3	177.5	78	0	0	0	0	112.8	L237 N238 S239 N243 R333	L237-S241 WeakPolarHBondContact O-CB 3.36Å; L237-S241 PolarHBondContact O-N 3.27Å; N238-S241 PolarHBondContact O-N 3.45Å; N238-S241 PolarHBondContact O-OG 3.04Å; S239-S241 VanDerWaalsContact C-N 3.34Å; S239-S241 PolarHBondContact O-N 2.92Å; S241-N243 PolarHBondContact O-N 3.06Å; S241-R333 PolarHBondContact O-NH1 3.41Å; S241-R333 PolarHBondContact O-NH2 3.04Å
242	H	93.4	Very high	95.5	Very high	70 Å²	70	28.5 Å²	28.5	32%	0.324	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	9.8	173.9	-70.4	92.8	0	0	0	113.5	N238 S239 V240 K244 N485	N238-H242 PolarHBondContact O-N 3.32Å; N238-H242 VanDerWaalsContact O-N 3.15Å; N238-H242 PolarHBondContact O-ND1 3.3Å; N238-H242 PolarHBondContact OD1-CE1 2.93Å; N238-H242 PolarHBondContact OD1-ND1 3.49Å; S239-H242 CarbonylContact O-C 3.56Å; S239-H242 PolarHBondContact O-N 3.24Å; V240-H242 VanDerWaalsContact C-N 3.26Å; V240-H242 PolarHBondContact O-N 3.09Å; H242-K244 VanDerWaalsContact C-N 3.34Å; H242-K244 PolarHBondContact O-N 2.94Å; H242-N485 PolarHBondContact O-ND2 3.09Å
243	N	95.2	Very high	95.3	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.027	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	40.3	179.8	-169	50.9	0	0	0	113.1	S239 V240 S241 R333 S335 H339	S239-N243 PolarHBondContact O-N 3.35Å; V240-N243 WeakPolarHBondContact O-CA 3.46Å; V240-N243 PolarHBondContact O-N 3.01Å; S241-N243 PolarHBondContact O-N 3.06Å; N243-R333 HydrophobicContact CB-CB 4.2Å; N243-R333 PolarHBondContact ND2-O 2.98Å; N243-R333 WeakPolarHBondContact OD1-CB 3.38Å; N243-R333 PolarHBondContact OD1-N 3.13Å; N243-S335 PolarHBondContact ND2-OG 3.26Å; N243-H339 PolarHBondContact ND2-CD2 2.84Å; N243-H339 PolarHBondContact ND2-NE2 2.86Å
244	K	96.3	Very high	95.1	Very high	21 Å²	21	35 Å²	35	9%	0.091	21%	0.209	C	C	.	.			trans	-126.6	149.5	-179.2	-71.1	-176.4	178.5	-171	0	112.3	S239 H242 F268 D269 F270 H272	S239-K244 CarbonylContact C-O 3.59Å; S239-K244 PolarHBondContact O-N 3.39Å; H242-K244 VanDerWaalsContact C-N 3.34Å; H242-K244 PolarHBondContact O-N 2.94Å; K244-F268 WeakPolarHBondContact CE-O 3.31Å; K244-F268 PolarHBondContact NZ-O 3.45Å; K244-D269 WeakPolarHBondContact CE-O 3.45Å; K244-F270 VanDerWaalsContact CA-O 3.23Å; K244-F270 WeakPolarHBondContact CA-O 3.38Å; K244-F270 VanDerWaalsContact CB-O 3.31Å; K244-F270 WeakPolarHBondContact CB-O 3.33Å; K244-F270 WeakPolarHBondContact CG-O 3.38Å; K244-H272 WeakPolarHBondContact CD-CD2 3.19Å; K244-H272 VanDerWaalsContact CD-NE2 3.29Å; K244-H272 WeakPolarHBondContact CD-NE2 3.27Å; K244-H272 PolarHBondContact NZ-CD2 3.12Å; K244-H272 PolarHBondContact NZ-NE2 3.1Å
245	V	98	Very high	94.8	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	140.1	174	173.9	0	0	0	0	109.7	V247 F270 C271 H272 I300 F301 K302 N326 L329	V245-V247 HydrophobicContact CG1-CG2 4.41Å; V245-F270 PolarHBondContact N-O 3.33Å; V245-C271 CarbonylContact O-C 3.58Å; V245-C271 VanDerWaalsContact O-CA 3.23Å; V245-C271 WeakPolarHBondContact O-CA 3.46Å; V245-H272 PolarHBondContact O-N 3.04Å; V245-I300 HydrophobicContact CG1-CG2 3.34Å; V245-F301 WeakPolarHBondContact CG1-O 3.38Å; V245-K302 HydrophobicContact CG2-CG 4.49Å; V245-N326 WeakPolarHBondContact CG2-O 3.4Å; V245-L329 HydrophobicContact CG2-CD2 4.07Å; V245-L329 HydrophobicContact CG2-CG 4.3Å
246	S	98.2	Very high	94.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	120.2	176.4	-57.5	0	0	0	0	109.9	H236 S239 I300 F301	H236-S246 WeakPolarHBondContact ND1-CB 3.21Å; H236-S246 PolarHBondContact ND1-OG 2.92Å; S239-S246 VanDerWaalsContact CB-OG 3.23Å; S239-S246 WeakPolarHBondContact CB-OG 3.12Å; S246-I300 WeakPolarHBondContact O-CA 3.26Å; S246-F301 PolarHBondContact N-O 2.86Å; S246-F301 PolarHBondContact O-N 3.34Å
247	V	98.2	Very high	94.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	120.3	175	-178.4	0	0	0	0	108.2	V245 F249 C271 H272 F273 G274 V298 M299 I300 I323	V245-V247 HydrophobicContact CG1-CG2 4.41Å; V247-F249 HydrophobicContact CG1-CE1 4.37Å; V247-F249 HydrophobicContact CG1-CE2 4.38Å; V247-F249 HydrophobicContact CG1-CZ 4.1Å; V247-C271 HydrophobicContact CG2-CB 3.98Å; V247-H272 PolarHBondContact N-O 3.39Å; V247-F273 HydrophobicContact CB-CD1 3.6Å; V247-F273 HydrophobicContact CB-CE1 3.56Å; V247-F273 HydrophobicContact CB-CZ 4.44Å; V247-F273 HydrophobicContact CG1-CD1 3.8Å; V247-F273 HydrophobicContact CG1-CE1 3.68Å; V247-F273 HydrophobicContact CG2-CD1 4.4Å; V247-F273 HydrophobicContact CG2-CE1 3.9Å; V247-F273 HydrophobicContact CG2-CZ 4.39Å; V247-F273 CarbonylContact O-C 3.55Å; V247-F273 VanDerWaalsContact O-CA 3.27Å; V247-F273 WeakPolarHBondContact O-CA 3.34Å; V247-G274 PolarHBondContact O-N 3.42Å; V247-V298 HydrophobicContact CG1-CG2 3.63Å; V247-M299 CarbonylContact C-O 3.48Å; V247-M299 WeakPolarHBondContact CA-O 3.42Å; V247-I300 HydrophobicContact CG1-CG1 4.45Å; V247-I300 HydrophobicContact CG2-CG1 4.29Å; V247-I300 HydrophobicContact CG2-CG2 4.41Å; V247-I323 HydrophobicContact CG1-CD1 4.07Å; V247-I323 HydrophobicContact CG1-CG1 4.43Å; V247-I323 HydrophobicContact CG2-CG1 4.44Å
248	V	97	Very high	94.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.2	-177.8	-173.3	0	0	0	0	109.4	L226 F232 F235 F250 G274 V276 M299 F301	L226-V248 HydrophobicContact CD1-CG1 4.37Å; F232-V248 HydrophobicContact CD2-CG2 3.72Å; F232-V248 HydrophobicContact CE2-CG2 3.6Å; F235-V248 HydrophobicContact CE1-CG2 4.21Å; V248-F250 HydrophobicContact CB-CE2 3.93Å; V248-F250 HydrophobicContact CB-CZ 4.45Å; V248-F250 HydrophobicContact CG1-CD2 4.15Å; V248-F250 HydrophobicContact CG1-CE2 3.53Å; V248-F250 HydrophobicContact CG1-CZ 3.75Å; V248-G274 WeakPolarHBondContact CA-O 3.26Å; V248-V276 HydrophobicContact CG1-CG2 3.71Å; V248-M299 PolarHBondContact N-O 2.84Å; V248-M299 PolarHBondContact O-N 3.38Å; V248-F301 HydrophobicContact CG2-CD2 4.34Å; V248-F301 HydrophobicContact CG2-CE2 4.2Å
249	F	96.1	Very high	94.3	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.018	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	139.1	172.5	-63.1	-66.1	0	0	0	109.8	I223 V247 A260 T263 F273 G274 Y275 V276 N297 V298 L314 V319	I223-F249 HydrophobicContact CD1-CD2 4.21Å; I223-F249 HydrophobicContact CD1-CE2 4.26Å; V247-F249 HydrophobicContact CG1-CE1 4.37Å; V247-F249 HydrophobicContact CG1-CE2 4.38Å; V247-F249 HydrophobicContact CG1-CZ 4.1Å; F249-A260 HydrophobicContact CD1-CB 4.24Å; F249-A260 HydrophobicContact CD2-CB 3.67Å; F249-A260 HydrophobicContact CE1-CB 4.31Å; F249-A260 HydrophobicContact CE2-CB 3.72Å; F249-A260 HydrophobicContact CG-CB 3.92Å; F249-A260 HydrophobicContact CZ-CB 4.06Å; F249-T263 HydrophobicContact CZ-CG2 4.25Å; F249-F273 HydrophobicContact CD2-CD1 4.36Å; F249-F273 AromaticContact CE2-CD1 3.49Å; F249-F273 HydrophobicContact CE2-CD1 3.49Å; F249-F273 VanDerWaalsContact CE2-CD1 3.49Å; F249-F273 HydrophobicContact CE2-CE1 4.1Å; F249-F273 HydrophobicContact CE2-CG 4.42Å; F249-F273 HydrophobicContact CZ-CD1 4.07Å; F249-F273 HydrophobicContact CZ-CE1 4.22Å; F249-G274 PolarHBondContact N-O 2.91Å; F249-Y275 HydrophobicContact CB-CD2 3.91Å; F249-Y275 CarbonylContact O-C 3.54Å; F249-Y275 WeakPolarHBondContact O-CA 3.45Å; F249-Y275 WeakPolarHBondContact O-CD2 3.43Å; F249-V276 PolarHBondContact O-N 3.31Å; F249-N297 WeakPolarHBondContact CA-O 3.47Å; F249-V298 HydrophobicContact CD1-CB 3.98Å; F249-V298 HydrophobicContact CD1-CG2 3.89Å; F249-V298 HydrophobicContact CE1-CB 4.01Å; F249-V298 HydrophobicContact CE1-CG2 3.65Å; F249-L314 HydrophobicContact CD1-CD1 3.64Å; F249-L314 HydrophobicContact CE1-CD1 3.59Å; F249-V319 HydrophobicContact CE1-CG1 4.26Å
250	F	93.9	Very high	94.3	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.018	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.8	175.7	-65.1	-100.8	0	0	0	109.2	V248 V276 W278 F285 I290 L292 G296 N297 M299	V248-F250 HydrophobicContact CB-CE2 3.93Å; V248-F250 HydrophobicContact CB-CZ 4.45Å; V248-F250 HydrophobicContact CG1-CD2 4.15Å; V248-F250 HydrophobicContact CG1-CE2 3.53Å; V248-F250 HydrophobicContact CG1-CZ 3.75Å; F250-V276 WeakPolarHBondContact CA-O 3.49Å; F250-V276 HydrophobicContact CD1-CB 3.68Å; F250-V276 HydrophobicContact CD1-CG1 4.09Å; F250-V276 HydrophobicContact CD1-CG2 4.25Å; F250-V276 HydrophobicContact CE1-CB 3.72Å; F250-V276 HydrophobicContact CE1-CG1 4.03Å; F250-V276 HydrophobicContact CE1-CG2 3.81Å; F250-V276 HydrophobicContact CG-CB 4.44Å; F250-V276 HydrophobicContact CZ-CG2 4.2Å; F250-W278 HydrophobicContact CD1-CD2 4.47Å; F250-W278 HydrophobicContact CD1-CE3 4.01Å; F250-W278 HydrophobicContact CE1-CE3 4.16Å; F250-W278 HydrophobicContact CE1-CZ3 4.25Å; F250-F285 HydrophobicContact CE1-CB 4.46Å; F250-F285 HydrophobicContact CE1-CD1 4.25Å; F250-F285 HydrophobicContact CE1-CD2 4.07Å; F250-F285 HydrophobicContact CE1-CE1 4.44Å; F250-F285 HydrophobicContact CE1-CE2 4.25Å; F250-F285 HydrophobicContact CE1-CG 4.03Å; F250-F285 HydrophobicContact CE1-CZ 4.4Å; F250-F285 AromaticContact CZ-CD1 3.82Å; F250-F285 HydrophobicContact CZ-CD1 3.82Å; F250-F285 HydrophobicContact CZ-CD2 4.43Å; F250-F285 AromaticContact CZ-CE1 3.88Å; F250-F285 HydrophobicContact CZ-CE1 3.88Å; F250-F285 HydrophobicContact CZ-CE2 4.46Å; F250-F285 HydrophobicContact CZ-CG 4.08Å; F250-F285 HydrophobicContact CZ-CZ 4.17Å; F250-I290 HydrophobicContact CD1-CD1 3.86Å; F250-I290 HydrophobicContact CE1-CD1 3.5Å; F250-I290 HydrophobicContact CE2-CD1 4.48Å; F250-I290 HydrophobicContact CG-CD1 4.5Å; F250-I290 HydrophobicContact CZ-CD1 3.85Å; F250-L292 HydrophobicContact CB-CD2 3.49Å; F250-L292 VanDerWaalsContact CB-CD2 3.49Å; F250-L292 HydrophobicContact CG-CD2 4.38Å; F250-G296 CarbonylContact O-C 3.38Å; F250-G296 WeakPolarHBondContact O-CA 3.45Å; F250-N297 PolarHBondContact N-O 2.87Å; F250-N297 PolarHBondContact O-N 3.11Å; F250-M299 HydrophobicContact CD2-CE 4.41Å; F250-M299 HydrophobicContact CD2-CG 4.23Å; F250-M299 HydrophobicContact CD2-SD 4.43Å; F250-M299 HydrophobicContact CE2-CB 4.08Å; F250-M299 HydrophobicContact CE2-CE 3.95Å; F250-M299 HydrophobicContact CE2-CG 3.69Å; F250-M299 HydrophobicContact CE2-SD 3.54Å; F250-M299 VanDerWaalsContact CE2-SD 3.54Å; F250-M299 HydrophobicContact CZ-CE 4.23Å; F250-M299 HydrophobicContact CZ-SD 3.9Å
251	G	92.8	Very high	94.4	Very high	10 Å²	10	30.1 Å²	30.1	10%	0.103	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	170.8	175.7	0	0	0	0	0	111.5	Y275 V276 Q277 W278	G251-Y275 WeakPolarHBondContact CA-OH 3.27Å; G251-V276 PolarHBondContact N-O 3.18Å; G251-Q277 CarbonylContact O-C 3.52Å; G251-Q277 WeakPolarHBondContact O-CA 3.32Å; G251-W278 PolarHBondContact O-N 2.81Å
252	T	90.6	Very high	94.5	Very high	72 Å²	72	27.2 Å²	27.2	44%	0.442	16%	0.156	S	C	.	.	S	Bend	trans	-86.9	-26.5	179.1	47.7	0	0	0	0	112.8	Q277	T252-Q277 PolarHBondContact O-NE2 3.48Å; T252-Q277 VanDerWaalsContact O-NE2 3.17Å
253	D	91.1	Very high	94.6	Very high	102 Å²	102	24 Å²	24	55%	0.545	14%	0.142	S	C	.	.	S	Bend	trans	-72.2	160.5	-175.7	-58.8	-28.5	0	0	0	112.1	E255 Y275 Q277	D253-E255 PolarHBondContact O-N 2.95Å; D253-Y275 PolarHBondContact O-OH 2.94Å; D253-Q277 VanDerWaalsContact O-CG 3.28Å; D253-Q277 WeakPolarHBondContact O-CG 3.28Å
254	S	91	Very high	94.7	Very high	79 Å²	79	23.8 Å²	23.8	55%	0.552	14%	0.14	S	C	*	.	S	Bend	trans	-68.8	-25.7	175.1	53	0	0	0	0	112.7	H225	H225-S254 PolarHBondContact CE1-O 3.36Å
255	E	91.5	Very high	94.6	Very high	100 Å²	100	23.6 Å²	23.6	47%	0.467	14%	0.142	S	C	.	.	S	Bend	trans	-121.2	144.5	-177.5	-68	-170.3	171.6	0	0	112.1	R215 D253	R215-E255 IonicContact CZ-OE2 2.78Å; R215-E255 IonicContact NE-OE2 3.05Å; R215-E255 IonicContact NH1-OE2 3.33Å; R215-E255 IonicContact NH2-OE2 2.67Å; D253-E255 PolarHBondContact O-N 2.95Å
256	P	93.9	Very high	94.3	Very high	10 Å²	10	26.9 Å²	26.9	7%	0.065	16%	0.157	C	C	.	.			trans	-63.7	139.6	176.5	27.3	-34.9	0	0	0	111.1	R215 I223 A260 L261 Y275	R215-P256 PolarHBondContact NH2-O 3.21Å; I223-P256 HydrophobicContact CD1-CB 4.18Å; I223-P256 HydrophobicContact CD1-CG 4.25Å; P256-A260 HydrophobicContact CB-CB 4.16Å; P256-L261 HydrophobicContact CG-CD2 4.27Å; P256-L261 HydrophobicContact CG-CG 4.48Å; P256-Y275 HydrophobicContact CB-CD2 3.71Å; P256-Y275 HydrophobicContact CB-CE2 4.06Å; P256-Y275 HydrophobicContact CB-CG 3.98Å
257	A	93.1	Very high	94.2	Very high	41 Å²	41	27.6 Å²	27.6	34%	0.339	16%	0.16	S	C	.	.			trans	-52.9	149.7	175.9	0	0	0	0	0	112.1	L259 A260 L261 L314	A257-L259 PolarHBondContact O-N 3.01Å; A257-L259 VanDerWaalsContact O-N 3.13Å; A257-A260 WeakPolarHBondContact O-CA 3.38Å; A257-A260 VanDerWaalsContact O-CB 3.3Å; A257-A260 WeakPolarHBondContact O-CB 3.45Å; A257-A260 PolarHBondContact O-N 3.26Å; A257-L261 PolarHBondContact O-N 3.22Å; A257-L314 HydrophobicContact CB-CD2 4.34Å
258	L	94.2	Very high	93.9	Very high	9 Å²	9	31.8 Å²	31.8	5%	0.047	18%	0.178	C	C	.	.	H	α-helix	trans	-56.4	-34.2	179.6	-178.1	60.8	0	0	0	112.3	L160 V165 V211 V214 R215 F218 A260 L261 V262	L160-L258 HydrophobicContact CD2-CD2 3.96Å; V165-L258 HydrophobicContact CG2-CD2 4.08Å; V165-L258 HydrophobicContact CG2-CG 4.43Å; V211-L258 HydrophobicContact CG1-CD2 4Å; V214-L258 HydrophobicContact CG1-CD1 4.19Å; R215-L258 HydrophobicContact CG-CD1 4.38Å; F218-L258 HydrophobicContact CE2-CD1 3.88Å; L258-A260 VanDerWaalsContact C-N 3.28Å; L258-A260 PolarHBondContact O-N 3.32Å; L258-L261 HydrophobicContact CD1-CD1 4.34Å; L258-L261 PolarHBondContact O-N 3.08Å; L258-V262 HydrophobicContact CD1-CG2 4.44Å; L258-V262 HydrophobicContact CG-CG2 4.42Å; L258-V262 WeakPolarHBondContact O-CG2 3.19Å; L258-V262 PolarHBondContact O-N 3.33Å
259	L	94.4	Very high	93.6	Very high	22 Å²	22	36.4 Å²	36.4	12%	0.115	20%	0.203	C	C	.	.	H	α-helix	trans	-56.2	-39.8	173	177.4	61.7	0	0	0	112.9	S163 A257 T263 L314 R316	S163-L259 WeakPolarHBondContact O-CA 3.34Å; A257-L259 PolarHBondContact O-N 3.01Å; A257-L259 VanDerWaalsContact O-N 3.13Å; L259-T263 VanDerWaalsContact O-CB 3.26Å; L259-T263 WeakPolarHBondContact O-CB 3.25Å; L259-T263 PolarHBondContact O-N 2.89Å; L259-T263 PolarHBondContact O-OG1 3.46Å; L259-L314 HydrophobicContact CD2-CD1 4.49Å; L259-L314 HydrophobicContact CD2-CD2 4.25Å; L259-L314 HydrophobicContact CD2-CG 3.98Å; L259-R316 HydrophobicContact CD1-CB 3.99Å; L259-R316 HydrophobicContact CD1-CG 4.09Å; L259-R316 HydrophobicContact CD2-CB 4.21Å
260	A	95.3	Very high	93.6	Very high	1 Å²	1	37 Å²	37	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-66.5	-43	177.6	0	0	0	0	0	111.1	I223 F249 P256 A257 L258 T263 A264	I223-A260 HydrophobicContact CD1-CB 3.99Å; F249-A260 HydrophobicContact CD1-CB 4.24Å; F249-A260 HydrophobicContact CD2-CB 3.67Å; F249-A260 HydrophobicContact CE1-CB 4.31Å; F249-A260 HydrophobicContact CE2-CB 3.72Å; F249-A260 HydrophobicContact CG-CB 3.92Å; F249-A260 HydrophobicContact CZ-CB 4.06Å; P256-A260 HydrophobicContact CB-CB 4.16Å; A257-A260 WeakPolarHBondContact O-CA 3.38Å; A257-A260 VanDerWaalsContact O-CB 3.3Å; A257-A260 WeakPolarHBondContact O-CB 3.45Å; A257-A260 PolarHBondContact O-N 3.26Å; L258-A260 VanDerWaalsContact C-N 3.28Å; L258-A260 PolarHBondContact O-N 3.32Å; A260-T263 PolarHBondContact O-N 3.01Å; A260-A264 VanDerWaalsContact O-CB 3.24Å; A260-A264 WeakPolarHBondContact O-CB 3.08Å; A260-A264 PolarHBondContact O-N 3.41Å
261	L	95.9	Very high	93.7	Very high	17 Å²	17	36.8 Å²	36.8	9%	0.089	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-46.4	177.1	-67	170.4	0	0	0	112.2	R215 F218 L222 I223 P256 A257 L258 T263 A264 S265	R215-L261 HydrophobicContact CG-CD1 3.51Å; F218-L261 HydrophobicContact CD2-CB 4.01Å; F218-L261 HydrophobicContact CD2-CD1 4.19Å; F218-L261 HydrophobicContact CE2-CB 4.02Å; F218-L261 HydrophobicContact CG-CB 4.25Å; F218-L261 HydrophobicContact CZ-CB 4.27Å; L222-L261 HydrophobicContact CD2-CD2 4.26Å; L222-L261 WeakPolarHBondContact CD2-O 3.39Å; I223-L261 HydrophobicContact CD1-CD2 3.83Å; I223-L261 HydrophobicContact CD1-CG 4.37Å; I223-L261 HydrophobicContact CG1-CD2 4.15Å; P256-L261 HydrophobicContact CG-CD2 4.27Å; P256-L261 HydrophobicContact CG-CG 4.48Å; A257-L261 PolarHBondContact O-N 3.22Å; L258-L261 HydrophobicContact CD1-CD1 4.34Å; L258-L261 PolarHBondContact O-N 3.08Å; L261-T263 PolarHBondContact O-N 3.48Å; L261-A264 PolarHBondContact O-N 3.01Å; L261-S265 PolarHBondContact O-N 2.66Å
262	V	95.4	Very high	93.9	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.018	21%	0.207	C	C	.	.	H	α-helix	trans	-60.9	-47.4	176.8	174.6	0	0	0	0	110.4	R132 P133 V165 F218 L258 A264 S265 Q266	R132-V262 HydrophobicContact CB-CG1 4.33Å; P133-V262 HydrophobicContact CG-CG2 4.19Å; V165-V262 HydrophobicContact CG2-CG2 3.65Å; F218-V262 HydrophobicContact CZ-CG2 3.93Å; L258-V262 HydrophobicContact CD1-CG2 4.44Å; L258-V262 HydrophobicContact CG-CG2 4.42Å; L258-V262 WeakPolarHBondContact O-CG2 3.19Å; L258-V262 PolarHBondContact O-N 3.33Å; V262-A264 PolarHBondContact O-N 2.98Å; V262-S265 PolarHBondContact O-N 3.32Å; V262-S265 PolarHBondContact O-OG 3.09Å; V262-Q266 PolarHBondContact O-N 2.92Å; V262-Q266 VanDerWaalsContact O-N 3.16Å
263	T	94.9	Very high	94.3	Very high	4 Å²	4	34.7 Å²	34.7	3%	0.025	19%	0.187	C	C	.	.	H	α-helix	trans	-61	-44.7	178.3	-59.5	0	0	0	0	111.4	F249 L259 A260 L261 S265 Q266 F267 V319 I323	F249-T263 HydrophobicContact CZ-CG2 4.25Å; L259-T263 VanDerWaalsContact O-CB 3.26Å; L259-T263 WeakPolarHBondContact O-CB 3.25Å; L259-T263 PolarHBondContact O-N 2.89Å; L259-T263 PolarHBondContact O-OG1 3.46Å; A260-T263 PolarHBondContact O-N 3.01Å; L261-T263 PolarHBondContact O-N 3.48Å; T263-S265 VanDerWaalsContact C-N 3.33Å; T263-S265 PolarHBondContact O-N 2.8Å; T263-Q266 PolarHBondContact O-N 3.09Å; T263-F267 HydrophobicContact CG2-CD2 4.18Å; T263-F267 HydrophobicContact CG2-CE2 4.44Å; T263-F267 WeakPolarHBondContact O-CD2 3.29Å; T263-F267 PolarHBondContact O-N 3.47Å; T263-V319 HydrophobicContact CG2-CG1 3.82Å; T263-I323 HydrophobicContact CG2-CD1 3.29Å
264	A	96.3	Very high	94.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.8	-44.5	178.4	0	0	0	0	0	111.4	L222 I223 A260 L261 V262 Q266 F267 F268 F273	L222-A264 HydrophobicContact CD1-CB 4.09Å; L222-A264 HydrophobicContact CD2-CB 4.09Å; L222-A264 HydrophobicContact CG-CB 3.78Å; I223-A264 HydrophobicContact CD1-CB 3.9Å; I223-A264 HydrophobicContact CG1-CB 3.77Å; A260-A264 VanDerWaalsContact O-CB 3.24Å; A260-A264 WeakPolarHBondContact O-CB 3.08Å; A260-A264 PolarHBondContact O-N 3.41Å; L261-A264 PolarHBondContact O-N 3.01Å; V262-A264 PolarHBondContact O-N 2.98Å; A264-Q266 VanDerWaalsContact C-N 3.27Å; A264-Q266 PolarHBondContact O-N 3.37Å; A264-F267 PolarHBondContact O-N 3.48Å; A264-F268 WeakPolarHBondContact O-CA 3.37Å; A264-F268 WeakPolarHBondContact O-CB 3.44Å; A264-F268 PolarHBondContact O-N 3Å; A264-F273 VanDerWaalsContact CA-CE2 3.49Å; A264-F273 HydrophobicContact CB-CB 4.05Å; A264-F273 HydrophobicContact CB-CD1 3.89Å; A264-F273 HydrophobicContact CB-CD2 3.54Å; A264-F273 HydrophobicContact CB-CE1 4.24Å; A264-F273 HydrophobicContact CB-CE2 3.96Å; A264-F273 HydrophobicContact CB-CG 3.52Å; A264-F273 HydrophobicContact CB-CZ 4.3Å; A264-F273 WeakPolarHBondContact O-CE2 3.09Å
265	S	94.2	Very high	94.9	Very high	17 Å²	17	26.4 Å²	26.4	12%	0.119	14%	0.136	C	C	.	.	H	α-helix	trans	-62.1	-33.4	177.6	72	0	0	0	0	113.5	S131 L261 V262 T263	S131-S265 CarbonylContact O-C 3.33Å; S131-S265 PolarHBondContact O-OG 3.29Å; L261-S265 PolarHBondContact O-N 2.66Å; V262-S265 PolarHBondContact O-N 3.32Å; V262-S265 PolarHBondContact O-OG 3.09Å; T263-S265 VanDerWaalsContact C-N 3.33Å; T263-S265 PolarHBondContact O-N 2.8Å
266	Q	93	Very high	95	Very high	69 Å²	69	21.8 Å²	21.8	32%	0.322	12%	0.115	S	C	.	.	H	α-helix	trans	-71.8	-32.1	-179	-179.3	177.4	-12	0	0	112.9	S131 V262 T263 A264	S131-Q266 WeakPolarHBondContact O-CA 3.33Å; S131-Q266 PolarHBondContact O-N 3.11Å; V262-Q266 PolarHBondContact O-N 2.92Å; V262-Q266 VanDerWaalsContact O-N 3.16Å; T263-Q266 PolarHBondContact O-N 3.09Å; A264-Q266 VanDerWaalsContact C-N 3.27Å; A264-Q266 PolarHBondContact O-N 3.37Å
267	F	94.9	Very high	95	Very high	15 Å²	15	26.5 Å²	26.5	7%	0.066	14%	0.136	C	C	.	.	H	α-helix	trans	-117.2	10.6	-172.3	-64.9	-77	0	0	0	113.7	T263 A264 D269 F270 C271 F273 A320 I323 K324	T263-F267 HydrophobicContact CG2-CD2 4.18Å; T263-F267 HydrophobicContact CG2-CE2 4.44Å; T263-F267 WeakPolarHBondContact O-CD2 3.29Å; T263-F267 PolarHBondContact O-N 3.47Å; A264-F267 PolarHBondContact O-N 3.48Å; F267-D269 PolarHBondContact O-N 3.15Å; F267-D269 VanDerWaalsContact O-N 3.08Å; F267-F270 PolarHBondContact O-N 2.8Å; F267-C271 HydrophobicContact CB-CB 4.47Å; F267-C271 PolarHBondContact O-N 3.05Å; F267-F273 HydrophobicContact CB-CE2 4.4Å; F267-F273 HydrophobicContact CB-CZ 3.92Å; F267-A320 HydrophobicContact CE2-CB 4.46Å; F267-A320 WeakPolarHBondContact CZ-O 3.14Å; F267-I323 HydrophobicContact CB-CG2 3.91Å; F267-I323 HydrophobicContact CD1-CG2 3.88Å; F267-I323 HydrophobicContact CD2-CB 4.22Å; F267-I323 HydrophobicContact CD2-CG2 3.62Å; F267-I323 HydrophobicContact CE1-CG2 4.26Å; F267-I323 HydrophobicContact CE2-CB 4.21Å; F267-I323 HydrophobicContact CE2-CG2 4.04Å; F267-I323 HydrophobicContact CG-CG2 3.53Å; F267-I323 HydrophobicContact CZ-CG2 4.34Å; F267-K324 HydrophobicContact CE1-CB 4Å; F267-K324 HydrophobicContact CZ-CB 4Å
268	F	92.7	Very high	94.6	Very high	88 Å²	88	25.9 Å²	25.9	39%	0.386	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-30	-176	-173.4	-101.6	0	0	0	114.7	L222 K244 A264 F270	L222-F268 HydrophobicContact CD1-CD2 3.61Å; L222-F268 HydrophobicContact CD1-CE2 4.13Å; L222-F268 HydrophobicContact CD1-CG 4.3Å; K244-F268 WeakPolarHBondContact CE-O 3.31Å; K244-F268 PolarHBondContact NZ-O 3.45Å; A264-F268 WeakPolarHBondContact O-CA 3.37Å; A264-F268 WeakPolarHBondContact O-CB 3.44Å; A264-F268 PolarHBondContact O-N 3Å; F268-F270 VanDerWaalsContact C-N 3.26Å; F268-F270 PolarHBondContact O-N 3.07Å
269	D	91.2	Very high	93.8	Very high	98 Å²	98	28.9 Å²	28.9	52%	0.524	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-27.9	179.3	-67.6	-31.4	0	0	0	112.8	K244 F267 L338	K244-D269 WeakPolarHBondContact CE-O 3.45Å; F267-D269 PolarHBondContact O-N 3.15Å; F267-D269 VanDerWaalsContact O-N 3.08Å; D269-L338 HydrophobicContact CB-CD2 3.83Å
270	F	95	Very high	92.5	Very high	16 Å²	16	36.1 Å²	36.1	7%	0.07	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-21.3	-173.9	-65.4	-78.4	0	0	0	113.7	K244 V245 F267 F268 K327 L328 L338 H339 T342	K244-F270 VanDerWaalsContact CA-O 3.23Å; K244-F270 WeakPolarHBondContact CA-O 3.38Å; K244-F270 VanDerWaalsContact CB-O 3.31Å; K244-F270 WeakPolarHBondContact CB-O 3.33Å; K244-F270 WeakPolarHBondContact CG-O 3.38Å; V245-F270 PolarHBondContact N-O 3.33Å; F267-F270 PolarHBondContact O-N 2.8Å; F268-F270 VanDerWaalsContact C-N 3.26Å; F268-F270 PolarHBondContact O-N 3.07Å; F270-K327 HydrophobicContact CB-CB 4.14Å; F270-K327 WeakPolarHBondContact CB-O 3.35Å; F270-K327 HydrophobicContact CD2-CD 4.36Å; F270-L328 HydrophobicContact CD1-CD2 3.84Å; F270-L328 HydrophobicContact CE1-CD2 4.07Å; F270-L338 HydrophobicContact CE2-CD2 4.07Å; F270-L338 HydrophobicContact CE2-CG 4.26Å; F270-L338 HydrophobicContact CZ-CD1 4.25Å; F270-L338 HydrophobicContact CZ-CD2 3.97Å; F270-L338 HydrophobicContact CZ-CG 3.72Å; F270-H339 AromaticContact CD1-NE2 3.81Å; F270-T342 HydrophobicContact CE1-CG2 4.19Å; F270-T342 HydrophobicContact CZ-CG2 4.12Å; F270-T342 WeakPolarHBondContact CZ-OG1 3.33Å
271	C	97.2	Very high	91.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.8	-174.6	-59.7	0	0	0	0	111	V245 V247 F267 F273	V245-C271 CarbonylContact O-C 3.58Å; V245-C271 VanDerWaalsContact O-CA 3.23Å; V245-C271 WeakPolarHBondContact O-CA 3.46Å; V247-C271 HydrophobicContact CG2-CB 3.98Å; F267-C271 HydrophobicContact CB-CB 4.47Å; F267-C271 PolarHBondContact O-N 3.05Å; C271-F273 HydrophobicContact CB-CD2 4.4Å; C271-F273 HydrophobicContact CB-CE1 4.29Å; C271-F273 HydrophobicContact CB-CE2 3.52Å; C271-F273 HydrophobicContact CB-CZ 3.45Å; C271-F273 VanDerWaalsContact CB-CZ 3.45Å
272	H	97.2	Very high	90.1	Very high	33 Å²	33	46.4 Å²	46.4	15%	0.153	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	144	161.7	-80.6	173	0	0	0	109.5	F235 S239 K244 V245 V247	F235-H272 HydrophobicContact CE2-CB 3.9Å; F235-H272 HydrophobicContact CZ-CB 3.77Å; S239-H272 WeakPolarHBondContact CA-ND1 3.44Å; S239-H272 WeakPolarHBondContact OG-CB 3.32Å; S239-H272 PolarHBondContact OG-ND1 2.89Å; K244-H272 WeakPolarHBondContact CD-CD2 3.19Å; K244-H272 VanDerWaalsContact CD-NE2 3.29Å; K244-H272 WeakPolarHBondContact CD-NE2 3.27Å; K244-H272 PolarHBondContact NZ-CD2 3.12Å; K244-H272 PolarHBondContact NZ-NE2 3.1Å; V245-H272 PolarHBondContact O-N 3.04Å; V247-H272 PolarHBondContact N-O 3.39Å
273	F	98.4	Very high	89.2	Confident	5 Å²	5	51 Å²	51	2%	0.022	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	128.6	-173.9	-64.4	-86.5	0	0	0	111.1	I223 L224 F235 V247 F249 A264 F267 C271 I323	I223-F273 WeakPolarHBondContact CA-O 3.26Å; I223-F273 HydrophobicContact CB-CB 4.35Å; I223-F273 HydrophobicContact CG1-CB 3.87Å; I223-F273 HydrophobicContact CG2-CB 4.3Å; L224-F273 PolarHBondContact N-O 3.46Å; F235-F273 VanDerWaalsContact CZ-C 3.49Å; V247-F273 HydrophobicContact CB-CD1 3.6Å; V247-F273 HydrophobicContact CB-CE1 3.56Å; V247-F273 HydrophobicContact CB-CZ 4.44Å; V247-F273 HydrophobicContact CG1-CD1 3.8Å; V247-F273 HydrophobicContact CG1-CE1 3.68Å; V247-F273 HydrophobicContact CG2-CD1 4.4Å; V247-F273 HydrophobicContact CG2-CE1 3.9Å; V247-F273 HydrophobicContact CG2-CZ 4.39Å; V247-F273 CarbonylContact O-C 3.55Å; V247-F273 VanDerWaalsContact O-CA 3.27Å; V247-F273 WeakPolarHBondContact O-CA 3.34Å; F249-F273 HydrophobicContact CD2-CD1 4.36Å; F249-F273 AromaticContact CE2-CD1 3.49Å; F249-F273 HydrophobicContact CE2-CD1 3.49Å; F249-F273 VanDerWaalsContact CE2-CD1 3.49Å; F249-F273 HydrophobicContact CE2-CE1 4.1Å; F249-F273 HydrophobicContact CE2-CG 4.42Å; F249-F273 HydrophobicContact CZ-CD1 4.07Å; F249-F273 HydrophobicContact CZ-CE1 4.22Å; A264-F273 VanDerWaalsContact CA-CE2 3.49Å; A264-F273 HydrophobicContact CB-CB 4.05Å; A264-F273 HydrophobicContact CB-CD1 3.89Å; A264-F273 HydrophobicContact CB-CD2 3.54Å; A264-F273 HydrophobicContact CB-CE1 4.24Å; A264-F273 HydrophobicContact CB-CE2 3.96Å; A264-F273 HydrophobicContact CB-CG 3.52Å; A264-F273 HydrophobicContact CB-CZ 4.3Å; A264-F273 WeakPolarHBondContact O-CE2 3.09Å; F267-F273 HydrophobicContact CB-CE2 4.4Å; F267-F273 HydrophobicContact CB-CZ 3.92Å; C271-F273 HydrophobicContact CB-CD2 4.4Å; C271-F273 HydrophobicContact CB-CE1 4.29Å; C271-F273 HydrophobicContact CB-CE2 3.52Å; C271-F273 HydrophobicContact CB-CZ 3.45Å; C271-F273 VanDerWaalsContact CB-CZ 3.45Å; F273-I323 HydrophobicContact CE1-CD1 4.25Å
274	G	97.4	Very high	88.7	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	153.3	171.9	0	0	0	0	0	110.7	L224 V247 V248 F249	L224-G274 CarbonylContact O-C 3.53Å; L224-G274 VanDerWaalsContact O-CA 3.27Å; L224-G274 WeakPolarHBondContact O-CA 3.33Å; V247-G274 PolarHBondContact O-N 3.42Å; V248-G274 WeakPolarHBondContact CA-O 3.26Å; F249-G274 PolarHBondContact N-O 2.91Å
275	Y	97	Very high	88.3	Confident	7 Å²	7	58.7 Å²	58.7	3%	0.027	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.8	170.3	-178.5	-106	0	0	0	110	L224 H225 L226 F249 G251 D253 P256 Q277	L224-Y275 PolarHBondContact O-N 2.97Å; H225-Y275 WeakPolarHBondContact CA-O 3.22Å; H225-Y275 AromaticContact CE1-CD1 3.57Å; H225-Y275 AromaticContact ND1-CD1 3.62Å; L226-Y275 PolarHBondContact N-O 2.86Å; F249-Y275 HydrophobicContact CB-CD2 3.91Å; F249-Y275 CarbonylContact O-C 3.54Å; F249-Y275 WeakPolarHBondContact O-CA 3.45Å; F249-Y275 WeakPolarHBondContact O-CD2 3.43Å; G251-Y275 WeakPolarHBondContact CA-OH 3.27Å; D253-Y275 PolarHBondContact O-OH 2.94Å; P256-Y275 HydrophobicContact CB-CD2 3.71Å; P256-Y275 HydrophobicContact CB-CE2 4.06Å; P256-Y275 HydrophobicContact CB-CG 3.98Å; Y275-Q277 HydrophobicContact CE1-CB 4.07Å
276	V	94.2	Very high	88	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.018	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	113.8	173.4	-175.9	0	0	0	0	107.4	L226 V248 F249 F250 G251 W278 F285	L226-V276 HydrophobicContact CB-CG2 3.95Å; L226-V276 HydrophobicContact CD1-CG2 4.26Å; V248-V276 HydrophobicContact CG1-CG2 3.71Å; F249-V276 PolarHBondContact O-N 3.31Å; F250-V276 WeakPolarHBondContact CA-O 3.49Å; F250-V276 HydrophobicContact CD1-CB 3.68Å; F250-V276 HydrophobicContact CD1-CG1 4.09Å; F250-V276 HydrophobicContact CD1-CG2 4.25Å; F250-V276 HydrophobicContact CE1-CB 3.72Å; F250-V276 HydrophobicContact CE1-CG1 4.03Å; F250-V276 HydrophobicContact CE1-CG2 3.81Å; F250-V276 HydrophobicContact CG-CB 4.44Å; F250-V276 HydrophobicContact CZ-CG2 4.2Å; G251-V276 PolarHBondContact N-O 3.18Å; V276-W278 HydrophobicContact CG1-CE3 3.69Å; V276-W278 HydrophobicContact CG1-CZ3 4.11Å; V276-W278 PolarHBondContact O-N 2.86Å; V276-F285 HydrophobicContact CG2-CE2 4.14Å; V276-F285 HydrophobicContact CG2-CZ 4.22Å
277	Q	92.1	Very high	87.7	Confident	109 Å²	109	59.4 Å²	59.4	51%	0.509	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	124.2	165.9	-177.9	177	10.2	0	0	108.1	G251 T252 D253 Y275	G251-Q277 CarbonylContact O-C 3.52Å; G251-Q277 WeakPolarHBondContact O-CA 3.32Å; T252-Q277 PolarHBondContact O-NE2 3.48Å; T252-Q277 VanDerWaalsContact O-NE2 3.17Å; D253-Q277 VanDerWaalsContact O-CG 3.28Å; D253-Q277 WeakPolarHBondContact O-CG 3.28Å; Y275-Q277 HydrophobicContact CE1-CB 4.07Å
278	W	85.5	Confident	87.3	Confident	28 Å²	28	59 Å²	59	11%	0.106	31%	0.307	C	S	.	.			trans	-117.9	133.8	-171.1	-162.2	-95.7	0	0	0	111.5	F250 G251 V276 S282 R284 F285 I290 L292	F250-W278 HydrophobicContact CD1-CD2 4.47Å; F250-W278 HydrophobicContact CD1-CE3 4.01Å; F250-W278 HydrophobicContact CE1-CE3 4.16Å; F250-W278 HydrophobicContact CE1-CZ3 4.25Å; G251-W278 PolarHBondContact O-N 2.81Å; V276-W278 HydrophobicContact CG1-CE3 3.69Å; V276-W278 HydrophobicContact CG1-CZ3 4.11Å; V276-W278 PolarHBondContact O-N 2.86Å; W278-S282 VanDerWaalsContact CZ2-CB 3.42Å; W278-S282 VanDerWaalsContact CZ2-OG 3.25Å; W278-S282 WeakPolarHBondContact CZ2-OG 3.44Å; W278-S282 PolarHBondContact NE1-O 3.28Å; W278-R284 WeakPolarHBondContact CH2-O 3.29Å; W278-R284 WeakPolarHBondContact CZ2-O 3.44Å; W278-F285 HydrophobicContact CH2-CB 3.75Å; W278-F285 HydrophobicContact CH2-CD2 4.06Å; W278-F285 HydrophobicContact CH2-CG 4.4Å; W278-F285 HydrophobicContact CZ3-CB 4.13Å; W278-F285 AromaticContact CZ3-CD2 3.68Å; W278-F285 HydrophobicContact CZ3-CD2 3.68Å; W278-F285 HydrophobicContact CZ3-CG 4.33Å; W278-I290 HydrophobicContact CH2-CD1 4.23Å; W278-I290 HydrophobicContact CZ2-CB 4.39Å; W278-I290 HydrophobicContact CZ2-CD1 4.26Å; W278-I290 HydrophobicContact CZ3-CD1 4.5Å; W278-L292 HydrophobicContact CB-CD1 3.48Å; W278-L292 VanDerWaalsContact CB-CD1 3.48Å; W278-L292 HydrophobicContact CG-CD1 3.56Å; W278-L292 HydrophobicContact CG-CG 4.43Å
279	S	78.1	Confident	87	Confident	71 Å²	71	59 Å²	59	50%	0.497	32%	0.316	S	S	.	.			trans	-94.3	137.7	169.3	172.3	0	0	0	0	109.9	Q281 S282	S279-Q281 PolarHBondContact O-N 3.34Å; S279-S282 PolarHBondContact O-N 3.48Å
280	Q	66.6	Low	86.6	Confident	175 Å²	175	54.9 Å²	54.9	82%	0.818	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-12.6	-179.3	-69.5	-172	-7.8	0	0	114.3	S282	Q280-S282 VanDerWaalsContact C-N 3.35Å; Q280-S282 PolarHBondContact O-N 2.86Å
281	Q	67.9	Low	86	Confident	180 Å²	180	65 Å²	65	84%	0.841	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-26.2	179.3	-66.1	-179.9	-13.3	0	0	113.7	S279	S279-Q281 PolarHBondContact O-N 3.34Å
282	S	72.5	Confident	85.3	Confident	53 Å²	53	67 Å²	67	37%	0.371	34%	0.342	S	S	.	.			trans	-94.3	129.4	178.5	-175.3	0	0	0	0	111.6	W278 S279 Q280 R284	W278-S282 VanDerWaalsContact CZ2-CB 3.42Å; W278-S282 VanDerWaalsContact CZ2-OG 3.25Å; W278-S282 WeakPolarHBondContact CZ2-OG 3.44Å; W278-S282 PolarHBondContact NE1-O 3.28Å; S279-S282 PolarHBondContact O-N 3.48Å; Q280-S282 VanDerWaalsContact C-N 3.35Å; Q280-S282 PolarHBondContact O-N 2.86Å; S282-R284 PolarHBondContact OG-N 3.27Å; S282-R284 PolarHBondContact OG-O 2.87Å
283	T	77.7	Confident	84.8	Confident	99 Å²	99	67.3 Å²	67.3	61%	0.607	35%	0.348	S	S	*	.			trans	-98.3	-3.7	177.4	57.5	0	0	0	0	113.1	P289 I290	T283-P289 WeakPolarHBondContact O-CA 3.48Å; T283-I290 PolarHBondContact O-N 3.48Å
284	R	84.5	Confident	84.1	Confident	162 Å²	162	76.9 Å²	76.9	61%	0.611	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.1	142.3	-174.6	-63.4	-174.9	178	-176.9	-1.8	113	W278 S282 I288	W278-R284 WeakPolarHBondContact CH2-O 3.29Å; W278-R284 WeakPolarHBondContact CZ2-O 3.44Å; S282-R284 PolarHBondContact OG-N 3.27Å; S282-R284 PolarHBondContact OG-O 2.87Å; R284-I288 CarbonylContact C-O 3.46Å; R284-I288 VanDerWaalsContact CA-O 3.23Å; R284-I288 WeakPolarHBondContact CA-O 3.23Å
285	F	87.3	Confident	83.5	Confident	4 Å²	4	79.8 Å²	79.8	2%	0.018	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	102.9	169.5	-179.3	-113.6	0	0	0	109.3	Y229 F232 F250 V276 W278 S287 I288 I290	Y229-F285 AromaticContact CD2-CD1 3.85Å; Y229-F285 HydrophobicContact CD2-CD1 3.85Å; Y229-F285 HydrophobicContact CD2-CD2 4.3Å; Y229-F285 AromaticContact CD2-CE1 3.81Å; Y229-F285 HydrophobicContact CD2-CE1 3.81Å; Y229-F285 HydrophobicContact CD2-CE2 4.29Å; Y229-F285 HydrophobicContact CD2-CG 4.13Å; Y229-F285 HydrophobicContact CD2-CZ 4.07Å; Y229-F285 HydrophobicContact CE2-CD1 4.33Å; Y229-F285 HydrophobicContact CE2-CE1 4.32Å; F232-F285 HydrophobicContact CB-CE1 4.13Å; F232-F285 HydrophobicContact CB-CE2 4.38Å; F232-F285 HydrophobicContact CB-CZ 3.46Å; F232-F285 VanDerWaalsContact CB-CZ 3.46Å; F232-F285 AromaticContact CD1-CE1 3.62Å; F232-F285 HydrophobicContact CD1-CE1 3.62Å; F232-F285 AromaticContact CD1-CZ 3.86Å; F232-F285 HydrophobicContact CD1-CZ 3.86Å; F232-F285 HydrophobicContact CD2-CE1 4.18Å; F232-F285 HydrophobicContact CD2-CZ 4.2Å; F232-F285 HydrophobicContact CE1-CE1 4.06Å; F232-F285 AromaticContact CG-CE1 3.68Å; F232-F285 HydrophobicContact CG-CE1 3.68Å; F232-F285 AromaticContact CG-CZ 3.55Å; F232-F285 HydrophobicContact CG-CZ 3.55Å; F250-F285 HydrophobicContact CE1-CB 4.46Å; F250-F285 HydrophobicContact CE1-CD1 4.25Å; F250-F285 HydrophobicContact CE1-CD2 4.07Å; F250-F285 HydrophobicContact CE1-CE1 4.44Å; F250-F285 HydrophobicContact CE1-CE2 4.25Å; F250-F285 HydrophobicContact CE1-CG 4.03Å; F250-F285 HydrophobicContact CE1-CZ 4.4Å; F250-F285 AromaticContact CZ-CD1 3.82Å; F250-F285 HydrophobicContact CZ-CD1 3.82Å; F250-F285 HydrophobicContact CZ-CD2 4.43Å; F250-F285 AromaticContact CZ-CE1 3.88Å; F250-F285 HydrophobicContact CZ-CE1 3.88Å; F250-F285 HydrophobicContact CZ-CE2 4.46Å; F250-F285 HydrophobicContact CZ-CG 4.08Å; F250-F285 HydrophobicContact CZ-CZ 4.17Å; V276-F285 HydrophobicContact CG2-CE2 4.14Å; V276-F285 HydrophobicContact CG2-CZ 4.22Å; W278-F285 HydrophobicContact CH2-CB 3.75Å; W278-F285 HydrophobicContact CH2-CD2 4.06Å; W278-F285 HydrophobicContact CH2-CG 4.4Å; W278-F285 HydrophobicContact CZ3-CB 4.13Å; W278-F285 AromaticContact CZ3-CD2 3.68Å; W278-F285 HydrophobicContact CZ3-CD2 3.68Å; W278-F285 HydrophobicContact CZ3-CG 4.33Å; F285-S287 PolarHBondContact O-N 3.49Å; F285-I288 HydrophobicContact CD1-CD1 4.4Å; F285-I288 PolarHBondContact N-O 2.92Å; F285-I288 WeakPolarHBondContact O-CB 3.48Å; F285-I288 PolarHBondContact O-N 3.31Å; F285-I290 HydrophobicContact CB-CD1 3.29Å; F285-I290 HydrophobicContact CB-CG1 3.9Å; F285-I290 HydrophobicContact CG-CD1 4.13Å
286	G	87.3	Confident	83.2	Confident	39 Å²	39	79.6 Å²	79.6	40%	0.402	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	-124.2	-161.5	0	0	0	0	0	109.6
287	S	86.1	Confident	83.1	Confident	62 Å²	62	79.9 Å²	79.9	43%	0.434	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-7.4	174.1	51.2	0	0	0	0	114	F285	F285-S287 PolarHBondContact O-N 3.49Å
288	I	87.9	Confident	83.2	Confident	6 Å²	6	74.7 Å²	74.7	3%	0.031	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	121.6	-169.8	-56.6	156.9	0	0	0	109.7	R284 F285 I290 M299 F301 E306 P308	R284-I288 CarbonylContact C-O 3.46Å; R284-I288 VanDerWaalsContact CA-O 3.23Å; R284-I288 WeakPolarHBondContact CA-O 3.23Å; F285-I288 HydrophobicContact CD1-CD1 4.4Å; F285-I288 PolarHBondContact N-O 2.92Å; F285-I288 WeakPolarHBondContact O-CB 3.48Å; F285-I288 PolarHBondContact O-N 3.31Å; I288-I290 PolarHBondContact O-N 3.44Å; I288-M299 HydrophobicContact CG2-CE 4.11Å; I288-M299 HydrophobicContact CG2-SD 4.36Å; I288-F301 HydrophobicContact CD1-CE1 3.61Å; I288-F301 HydrophobicContact CD1-CZ 3.73Å; I288-E306 WeakPolarHBondContact CD1-O 3.29Å; I288-E306 VanDerWaalsContact CG1-O 3.23Å; I288-E306 WeakPolarHBondContact CG1-O 3.27Å; I288-P308 HydrophobicContact CD1-CG 4.3Å; I288-P308 HydrophobicContact CG2-CG 4.13Å
289	P	86.2	Confident	83.7	Confident	88 Å²	88	73.3 Å²	73.3	57%	0.571	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	132	174.7	28	-32.8	0	0	0	110.9	T283	T283-P289 WeakPolarHBondContact O-CA 3.48Å
290	I	81.9	Confident	84.6	Confident	13 Å²	13	70 Å²	70	7%	0.067	37%	0.365	C	S	.	.			trans	-119.5	125.5	178.1	-57.4	-159.4	0	0	0	110	F250 W278 T283 F285 I288 L292 M299	F250-I290 HydrophobicContact CD1-CD1 3.86Å; F250-I290 HydrophobicContact CE1-CD1 3.5Å; F250-I290 HydrophobicContact CE2-CD1 4.48Å; F250-I290 HydrophobicContact CG-CD1 4.5Å; F250-I290 HydrophobicContact CZ-CD1 3.85Å; W278-I290 HydrophobicContact CH2-CD1 4.23Å; W278-I290 HydrophobicContact CZ2-CB 4.39Å; W278-I290 HydrophobicContact CZ2-CD1 4.26Å; W278-I290 HydrophobicContact CZ3-CD1 4.5Å; T283-I290 PolarHBondContact O-N 3.48Å; F285-I290 HydrophobicContact CB-CD1 3.29Å; F285-I290 HydrophobicContact CB-CG1 3.9Å; F285-I290 HydrophobicContact CG-CD1 4.13Å; I288-I290 PolarHBondContact O-N 3.44Å; I290-L292 HydrophobicContact CG2-CD2 3.68Å; I290-L292 HydrophobicContact CG2-CG 3.88Å; I290-M299 HydrophobicContact CD1-CE 3.41Å; I290-M299 VanDerWaalsContact CD1-CE 3.41Å; I290-M299 HydrophobicContact CG1-CE 3.61Å
291	R	83.7	Confident	86.1	Confident	227 Å²	227	61.6 Å²	61.6	86%	0.857	33%	0.326	S	S	*	.			trans	-122.1	109.5	161.2	-177.4	179.3	-74.5	179	-4.2	107.4	N297	R291-N297 PolarHBondContact O-ND2 3.46Å
292	L	82.5	Confident	87.4	Confident	44 Å²	44	54.9 Å²	54.9	23%	0.23	29%	0.294	C	S	.	.			trans	-75	135.8	-179.1	-66.4	178.2	0	0	0	110.9	F250 W278 I290 N297	F250-L292 HydrophobicContact CB-CD2 3.49Å; F250-L292 VanDerWaalsContact CB-CD2 3.49Å; F250-L292 HydrophobicContact CG-CD2 4.38Å; W278-L292 HydrophobicContact CB-CD1 3.48Å; W278-L292 VanDerWaalsContact CB-CD1 3.48Å; W278-L292 HydrophobicContact CG-CD1 3.56Å; W278-L292 HydrophobicContact CG-CG 4.43Å; I290-L292 HydrophobicContact CG2-CD2 3.68Å; I290-L292 HydrophobicContact CG2-CG 3.88Å; L292-N297 HydrophobicContact CD2-CB 4.17Å
293	S	86	Confident	88.3	Confident	39 Å²	39	55 Å²	55	27%	0.273	29%	0.289	S	S	.	.			trans	-77	164.4	162.2	81.7	0	0	0	0	110.4	A295 G296 N297	S293-A295 PolarHBondContact O-N 2.96Å; S293-A295 PolarHBondContact OG-N 3.25Å; S293-G296 PolarHBondContact O-N 2.85Å; S293-G296 PolarHBondContact OG-N 2.71Å; S293-G296 PolarHBondContact OG-O 3.47Å; S293-N297 PolarHBondContact N-OD1 3.27Å; S293-N297 PolarHBondContact OG-OD1 2.82Å
294	E	83.5	Confident	88.9	Confident	205 Å²	205	52.6 Å²	52.6	96%	0.958	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-35.4	176	-64.6	-180	173.5	0	0	112.5	G296	E294-G296 VanDerWaalsContact C-N 3.26Å; E294-G296 PolarHBondContact O-N 3.38Å
295	A	84.1	Confident	89.1	Confident	62 Å²	62	46.2 Å²	46.2	51%	0.512	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-4.8	177.4	0	0	0	0	0	113.6	S293 L314	S293-A295 PolarHBondContact O-N 2.96Å; S293-A295 PolarHBondContact OG-N 3.25Å; A295-L314 WeakPolarHBondContact CB-O 3.39Å; A295-L314 WeakPolarHBondContact O-CB 3.46Å; A295-L314 WeakPolarHBondContact O-CD2 3.31Å
296	G	90.9	Very high	89.1	Confident	3 Å²	3	51 Å²	51	3%	0.031	28%	0.279	C	S	.	.			trans	84.9	179.8	-169.2	0	0	0	0	0	113.3	F250 S293 E294 L314	F250-G296 CarbonylContact O-C 3.38Å; F250-G296 WeakPolarHBondContact O-CA 3.45Å; S293-G296 PolarHBondContact O-N 2.85Å; S293-G296 PolarHBondContact OG-N 2.71Å; S293-G296 PolarHBondContact OG-O 3.47Å; E294-G296 VanDerWaalsContact C-N 3.26Å; E294-G296 PolarHBondContact O-N 3.38Å; G296-L314 WeakPolarHBondContact O-CB 3.32Å; G296-L314 PolarHBondContact O-N 3.2Å
297	N	92.4	Very high	89.2	Confident	8 Å²	8	57.1 Å²	57.1	4%	0.043	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	157.6	-177.6	-68.4	7.5	0	0	0	111.3	F249 F250 R291 L292 S293 Q312	F249-N297 WeakPolarHBondContact CA-O 3.47Å; F250-N297 PolarHBondContact N-O 2.87Å; F250-N297 PolarHBondContact O-N 3.11Å; R291-N297 PolarHBondContact O-ND2 3.46Å; L292-N297 HydrophobicContact CD2-CB 4.17Å; S293-N297 PolarHBondContact N-OD1 3.27Å; S293-N297 PolarHBondContact OG-OD1 2.82Å; N297-Q312 CarbonylContact C-O 3.59Å; N297-Q312 WeakPolarHBondContact CA-O 3.35Å
298	V	94.9	Very high	89.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	133.2	169.2	62.9	0	0	0	0	109.9	V247 F249 I300 N311 Q312 L314 V319	V247-V298 HydrophobicContact CG1-CG2 3.63Å; F249-V298 HydrophobicContact CD1-CB 3.98Å; F249-V298 HydrophobicContact CD1-CG2 3.89Å; F249-V298 HydrophobicContact CE1-CB 4.01Å; F249-V298 HydrophobicContact CE1-CG2 3.65Å; V298-I300 HydrophobicContact CG2-CG1 4.43Å; V298-N311 WeakPolarHBondContact O-CA 3.49Å; V298-Q312 HydrophobicContact CG1-CB 4.47Å; V298-Q312 PolarHBondContact N-O 2.91Å; V298-Q312 PolarHBondContact O-N 2.85Å; V298-Q312 VanDerWaalsContact O-N 3.08Å; V298-L314 HydrophobicContact CB-CD1 4.45Å; V298-V319 HydrophobicContact CG1-CG2 4Å
299	M	95.4	Very high	89.9	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.5	169.6	-63.7	-171.9	-174	0	0	111.2	V247 V248 F250 I288 I290 F301 P308 V310 N311	V247-M299 CarbonylContact C-O 3.48Å; V247-M299 WeakPolarHBondContact CA-O 3.42Å; V248-M299 PolarHBondContact N-O 2.84Å; V248-M299 PolarHBondContact O-N 3.38Å; F250-M299 HydrophobicContact CD2-CE 4.41Å; F250-M299 HydrophobicContact CD2-CG 4.23Å; F250-M299 HydrophobicContact CD2-SD 4.43Å; F250-M299 HydrophobicContact CE2-CB 4.08Å; F250-M299 HydrophobicContact CE2-CE 3.95Å; F250-M299 HydrophobicContact CE2-CG 3.69Å; F250-M299 HydrophobicContact CE2-SD 3.54Å; F250-M299 VanDerWaalsContact CE2-SD 3.54Å; F250-M299 HydrophobicContact CZ-CE 4.23Å; F250-M299 HydrophobicContact CZ-SD 3.9Å; I288-M299 HydrophobicContact CG2-CE 4.11Å; I288-M299 HydrophobicContact CG2-SD 4.36Å; I290-M299 HydrophobicContact CD1-CE 3.41Å; I290-M299 VanDerWaalsContact CD1-CE 3.41Å; I290-M299 HydrophobicContact CG1-CE 3.61Å; M299-F301 HydrophobicContact CB-CD2 4.27Å; M299-F301 HydrophobicContact CB-CE2 3.5Å; M299-F301 HydrophobicContact CB-CZ 4.08Å; M299-F301 HydrophobicContact CG-CE2 4.49Å; M299-F301 HydrophobicContact SD-CE2 4.2Å; M299-F301 HydrophobicContact SD-CZ 3.93Å; M299-P308 HydrophobicContact CB-CB 4.23Å; M299-P308 HydrophobicContact SD-CG 4.35Å; M299-V310 CarbonylContact C-O 3.53Å; M299-V310 WeakPolarHBondContact CA-O 3.39Å; M299-N311 HydrophobicContact CG-CB 4.36Å
300	I	97.7	Very high	90.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	122.9	178	-53.7	-178.2	0	0	0	109.1	V245 S246 V247 V298 P308 V309 V310 L322 I323 N326	V245-I300 HydrophobicContact CG1-CG2 3.34Å; S246-I300 WeakPolarHBondContact O-CA 3.26Å; V247-I300 HydrophobicContact CG1-CG1 4.45Å; V247-I300 HydrophobicContact CG2-CG1 4.29Å; V247-I300 HydrophobicContact CG2-CG2 4.41Å; V298-I300 HydrophobicContact CG2-CG1 4.43Å; I300-P308 CarbonylContact O-C 3.59Å; I300-P308 WeakPolarHBondContact O-CA 3.45Å; I300-V309 PolarHBondContact O-N 3.22Å; I300-V310 HydrophobicContact CB-CB 3.92Å; I300-V310 HydrophobicContact CB-CG2 4.28Å; I300-V310 HydrophobicContact CD1-CB 3.99Å; I300-V310 HydrophobicContact CD1-CG1 4.29Å; I300-V310 HydrophobicContact CD1-CG2 3.99Å; I300-V310 HydrophobicContact CG1-CB 3.89Å; I300-V310 HydrophobicContact CG1-CG1 4.37Å; I300-V310 HydrophobicContact CG1-CG2 4.35Å; I300-V310 PolarHBondContact N-O 3.32Å; I300-L322 HydrophobicContact CD1-CB 4.39Å; I300-I323 HydrophobicContact CD1-CB 4.48Å; I300-I323 HydrophobicContact CD1-CG1 3.76Å; I300-N326 HydrophobicContact CD1-CB 4.18Å; I300-N326 HydrophobicContact CG2-CB 4.07Å
301	F	97.3	Very high	90.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130	178.7	-57.4	-98.3	0	0	0	109.8	F232 V245 S246 V248 I288 M299 P308	F232-F301 HydrophobicContact CE1-CE1 4.26Å; F232-F301 HydrophobicContact CE1-CZ 4.26Å; F232-F301 AromaticContact CE2-CD2 3.73Å; F232-F301 HydrophobicContact CE2-CD2 3.73Å; F232-F301 AromaticContact CE2-CE2 3.75Å; F232-F301 HydrophobicContact CE2-CE2 3.75Å; F232-F301 HydrophobicContact CE2-CG 4.22Å; F232-F301 HydrophobicContact CE2-CZ 4.26Å; F232-F301 HydrophobicContact CZ-CB 4.46Å; F232-F301 AromaticContact CZ-CD1 3.79Å; F232-F301 HydrophobicContact CZ-CD1 3.79Å; F232-F301 AromaticContact CZ-CD2 3.61Å; F232-F301 HydrophobicContact CZ-CD2 3.61Å; F232-F301 AromaticContact CZ-CE1 3.76Å; F232-F301 HydrophobicContact CZ-CE1 3.76Å; F232-F301 AromaticContact CZ-CE2 3.58Å; F232-F301 HydrophobicContact CZ-CE2 3.58Å; F232-F301 AromaticContact CZ-CG 3.71Å; F232-F301 HydrophobicContact CZ-CG 3.71Å; F232-F301 AromaticContact CZ-CZ 3.66Å; F232-F301 HydrophobicContact CZ-CZ 3.66Å; V245-F301 WeakPolarHBondContact CG1-O 3.38Å; S246-F301 PolarHBondContact N-O 2.86Å; S246-F301 PolarHBondContact O-N 3.34Å; V248-F301 HydrophobicContact CG2-CD2 4.34Å; V248-F301 HydrophobicContact CG2-CE2 4.2Å; I288-F301 HydrophobicContact CD1-CE1 3.61Å; I288-F301 HydrophobicContact CD1-CZ 3.73Å; M299-F301 HydrophobicContact CB-CD2 4.27Å; M299-F301 HydrophobicContact CB-CE2 3.5Å; M299-F301 HydrophobicContact CB-CZ 4.08Å; M299-F301 HydrophobicContact CG-CE2 4.49Å; M299-F301 HydrophobicContact SD-CE2 4.2Å; M299-F301 HydrophobicContact SD-CZ 3.93Å; F301-P308 HydrophobicContact CD1-CB 4.02Å; F301-P308 HydrophobicContact CE1-CB 3.64Å; F301-P308 HydrophobicContact CE1-CG 4.11Å; F301-P308 HydrophobicContact CE2-CB 4.24Å; F301-P308 HydrophobicContact CG-CB 4.48Å; F301-P308 HydrophobicContact CZ-CB 3.76Å; F301-P308 HydrophobicContact CZ-CG 4.25Å
302	K	95.3	Very high	91.2	Very high	38 Å²	38	51.3 Å²	51.3	17%	0.165	27%	0.269	C	S	.	.	S	Bend	trans	-93.5	-99.3	176.9	-63.6	-174.9	178.5	-176.7	0	110.6	H236 V240 V245 V309 L328 L329 S330	H236-K302 PolarHBondContact CE1-O 2.86Å; V240-K302 VanDerWaalsContact CG2-O 3.32Å; V240-K302 WeakPolarHBondContact CG2-O 3.47Å; V245-K302 HydrophobicContact CG2-CG 4.49Å; K302-V309 HydrophobicContact CB-CG2 4.49Å; K302-V309 HydrophobicContact CD-CG2 4.14Å; K302-V309 HydrophobicContact CG-CG2 3.98Å; K302-L328 VanDerWaalsContact CE-O 3.31Å; K302-L328 WeakPolarHBondContact CE-O 3.35Å; K302-L329 HydrophobicContact CB-CD2 4.08Å; K302-L329 WeakPolarHBondContact O-CD2 3.4Å; K302-S330 WeakPolarHBondContact CD-OG 3.17Å
303	E	91.6	Very high	91.6	Very high	55 Å²	55	52.3 Å²	52.3	26%	0.257	28%	0.278	S	S	.	.	S	Bend	trans	-92.8	-26.1	179.6	-63.9	89.5	171.5	0	0	114.2	H236 L329 S330 F331 L376	H236-E303 PolarHBondContact NE2-O 3.35Å; E303-L329 HydrophobicContact CG-CD2 4.38Å; E303-L329 WeakPolarHBondContact OE1-CB 3.48Å; E303-S330 VanDerWaalsContact OE1-CA 3.31Å; E303-S330 WeakPolarHBondContact OE1-CA 3.33Å; E303-S330 VanDerWaalsContact OE1-CB 3.23Å; E303-S330 WeakPolarHBondContact OE1-CB 3.4Å; E303-S330 PolarHBondContact OE1-N 3.5Å; E303-S330 PolarHBondContact OE1-OG 3.49Å; E303-S330 WeakPolarHBondContact OE2-CB 3.43Å; E303-S330 PolarHBondContact OE2-OG 2.84Å; E303-F331 PolarHBondContact OE1-N 3.44Å; E303-L376 HydrophobicContact CB-CD2 3.97Å; E303-L376 HydrophobicContact CG-CD1 4.49Å; E303-L376 HydrophobicContact CG-CD2 3.73Å
304	S	90.4	Very high	91.7	Very high	50 Å²	50	51.4 Å²	51.4	35%	0.35	27%	0.269	S	S	.	.			trans	-96.3	135.3	177.5	179.6	0	0	0	0	111.2	E306	S304-E306 PolarHBondContact OG-N 3.21Å
305	S	87.7	Confident	92	Very high	28 Å²	28	43.8 Å²	43.8	20%	0.196	24%	0.239	C	C	.	.	S	Bend	trans	-87.5	-9.7	170.6	55.1	0	0	0	0	113.7	Y229 H236	Y229-S305 PolarHBondContact OH-O 3.47Å; H236-S305 PolarHBondContact NE2-N 3.29Å
306	E	88.2	Confident	91.9	Very high	105 Å²	105	46.8 Å²	46.8	49%	0.491	24%	0.237	S	C	.	.	S	Bend	trans	-88.8	-32.5	-175.4	-64.5	-177.1	172.2	0	0	112.1	I288 S304	I288-E306 WeakPolarHBondContact CD1-O 3.29Å; I288-E306 VanDerWaalsContact CG1-O 3.23Å; I288-E306 WeakPolarHBondContact CG1-O 3.27Å; S304-E306 PolarHBondContact OG-N 3.21Å
307	W	88.8	Confident	91.6	Very high	167 Å²	167	52.1 Å²	52.1	63%	0.633	27%	0.269	S	S	*	.	S	Bend	trans	-128.1	109.3	-172.1	-58.3	101.4	0	0	0	111
308	P	94.2	Very high	91.4	Very high	29 Å²	29	54.3 Å²	54.3	19%	0.188	28%	0.283	C	S	.	.			trans	-71.2	135.3	174.7	28.1	-30.8	0	0	0	109.8	I288 M299 I300 F301 V310 N311	I288-P308 HydrophobicContact CD1-CG 4.3Å; I288-P308 HydrophobicContact CG2-CG 4.13Å; M299-P308 HydrophobicContact CB-CB 4.23Å; M299-P308 HydrophobicContact SD-CG 4.35Å; I300-P308 CarbonylContact O-C 3.59Å; I300-P308 WeakPolarHBondContact O-CA 3.45Å; F301-P308 HydrophobicContact CD1-CB 4.02Å; F301-P308 HydrophobicContact CE1-CB 3.64Å; F301-P308 HydrophobicContact CE1-CG 4.11Å; F301-P308 HydrophobicContact CE2-CB 4.24Å; F301-P308 HydrophobicContact CG-CB 4.48Å; F301-P308 HydrophobicContact CZ-CB 3.76Å; F301-P308 HydrophobicContact CZ-CG 4.25Å; P308-V310 VanDerWaalsContact C-N 3.26Å; P308-N311 HydrophobicContact CG-CB 4.33Å
309	V	94.1	Very high	91.3	Very high	79 Å²	79	54.3 Å²	54.3	48%	0.479	28%	0.283	S	S	.	.	S	Bend	trans	-69.2	-32	173.5	-179.3	0	0	0	0	110.7	I300 K302	I300-V309 PolarHBondContact O-N 3.22Å; K302-V309 HydrophobicContact CB-CG2 4.49Å; K302-V309 HydrophobicContact CD-CG2 4.14Å; K302-V309 HydrophobicContact CG-CG2 3.98Å
310	V	94.3	Very high	91	Very high	12 Å²	12	55.7 Å²	55.7	7%	0.073	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.6	177.1	175.8	0	0	0	0	108.2	M299 I300 P308 Q312 L322	M299-V310 CarbonylContact C-O 3.53Å; M299-V310 WeakPolarHBondContact CA-O 3.39Å; I300-V310 HydrophobicContact CB-CB 3.92Å; I300-V310 HydrophobicContact CB-CG2 4.28Å; I300-V310 HydrophobicContact CD1-CB 3.99Å; I300-V310 HydrophobicContact CD1-CG1 4.29Å; I300-V310 HydrophobicContact CD1-CG2 3.99Å; I300-V310 HydrophobicContact CG1-CB 3.89Å; I300-V310 HydrophobicContact CG1-CG1 4.37Å; I300-V310 HydrophobicContact CG1-CG2 4.35Å; I300-V310 PolarHBondContact N-O 3.32Å; P308-V310 VanDerWaalsContact C-N 3.26Å; V310-Q312 HydrophobicContact CG1-CB 4.2Å; V310-Q312 HydrophobicContact CG1-CG 3.87Å; V310-L322 HydrophobicContact CG1-CB 4.39Å; V310-L322 HydrophobicContact CG1-CD1 3.83Å; V310-L322 HydrophobicContact CG1-CD2 4.12Å; V310-L322 HydrophobicContact CG1-CG 4.34Å; V310-L322 HydrophobicContact CG2-CD2 4.33Å
311	N	92.5	Very high	90.9	Very high	62 Å²	62	61.8 Å²	61.8	33%	0.332	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	99.7	167.8	179.1	9	0	0	0	107.2	V298 M299 P308	V298-N311 WeakPolarHBondContact O-CA 3.49Å; M299-N311 HydrophobicContact CG-CB 4.36Å; P308-N311 HydrophobicContact CG-CB 4.33Å
312	Q	92.5	Very high	90.8	Very high	92 Å²	92	63 Å²	63	43%	0.43	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	153.3	-170.9	-71.4	-69.5	-23.5	0	0	111.2	N297 V298 V310 L322	N297-Q312 CarbonylContact C-O 3.59Å; N297-Q312 WeakPolarHBondContact CA-O 3.35Å; V298-Q312 HydrophobicContact CG1-CB 4.47Å; V298-Q312 PolarHBondContact N-O 2.91Å; V298-Q312 PolarHBondContact O-N 2.85Å; V298-Q312 VanDerWaalsContact O-N 3.08Å; V310-Q312 HydrophobicContact CG1-CB 4.2Å; V310-Q312 HydrophobicContact CG1-CG 3.87Å; Q312-L322 HydrophobicContact CB-CD1 3.92Å; Q312-L322 HydrophobicContact CG-CD1 3.95Å
313	P	91.1	Very high	90.9	Very high	65 Å²	65	61.2 Å²	61.2	42%	0.422	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	146.6	170.5	-24.9	35.4	0	0	0	112.5	S315	P313-S315 PolarHBondContact O-N 2.99Å; P313-S315 VanDerWaalsContact O-N 3.14Å
314	L	87.9	Confident	91	Very high	19 Å²	19	65.3 Å²	65.3	10%	0.099	34%	0.336	C	S	.	.			trans	-73.6	106.2	177.5	-170.5	76.5	0	0	0	109.7	F249 A257 L259 A295 G296 V298 V319	F249-L314 HydrophobicContact CD1-CD1 3.64Å; F249-L314 HydrophobicContact CE1-CD1 3.59Å; A257-L314 HydrophobicContact CB-CD2 4.34Å; L259-L314 HydrophobicContact CD2-CD1 4.49Å; L259-L314 HydrophobicContact CD2-CD2 4.25Å; L259-L314 HydrophobicContact CD2-CG 3.98Å; A295-L314 WeakPolarHBondContact CB-O 3.39Å; A295-L314 WeakPolarHBondContact O-CB 3.46Å; A295-L314 WeakPolarHBondContact O-CD2 3.31Å; G296-L314 WeakPolarHBondContact O-CB 3.32Å; G296-L314 PolarHBondContact O-N 3.2Å; V298-L314 HydrophobicContact CB-CD1 4.45Å; L314-V319 HydrophobicContact CD1-CG1 4.33Å; L314-V319 HydrophobicContact CD1-CG2 3.67Å; L314-V319 HydrophobicContact CG-CG2 4.34Å
315	S	90.1	Very high	91.1	Very high	45 Å²	45	68.4 Å²	68.4	32%	0.315	35%	0.346	S	S	.	.			trans	-136.4	137.5	174.4	170.3	0	0	0	0	110.8	P313 T317 T318 V319	P313-S315 PolarHBondContact O-N 2.99Å; P313-S315 VanDerWaalsContact O-N 3.14Å; S315-T317 VanDerWaalsContact C-N 3.28Å; S315-T317 PolarHBondContact O-N 3.05Å; S315-T317 PolarHBondContact OG-OG1 3.24Å; S315-T318 PolarHBondContact O-N 3.39Å; S315-V319 VanDerWaalsContact O-CB 3.27Å; S315-V319 WeakPolarHBondContact O-CB 3.32Å; S315-V319 WeakPolarHBondContact O-CG2 3.37Å; S315-V319 PolarHBondContact O-N 3.35Å
316	R	83.1	Confident	91.5	Very high	125 Å²	125	68.1 Å²	68.1	47%	0.472	34%	0.342	S	S	.	.	H	α-helix	trans	-56.1	-41.4	-178.5	179.9	-178.7	173.3	-136.6	6.3	112.8	T161 N162 L259 T318	T161-R316 PolarHBondContact O-NE 3.28Å; T161-R316 VanDerWaalsContact O-NE 3.17Å; T161-R316 PolarHBondContact O-NH1 2.95Å; T161-R316 PolarHBondContact O-NH2 3.19Å; N162-R316 WeakPolarHBondContact O-CD 3.38Å; L259-R316 HydrophobicContact CD1-CB 3.99Å; L259-R316 HydrophobicContact CD1-CG 4.09Å; L259-R316 HydrophobicContact CD2-CB 4.21Å; R316-T318 VanDerWaalsContact C-N 3.34Å
317	T	83.2	Confident	91.8	Very high	116 Å²	116	65.6 Å²	65.6	71%	0.712	33%	0.329	S	S	*	.	H	α-helix	trans	-69	-36.2	-176.8	52.7	0	0	0	0	111.7	S315	S315-T317 VanDerWaalsContact C-N 3.28Å; S315-T317 PolarHBondContact O-N 3.05Å; S315-T317 PolarHBondContact OG-OG1 3.24Å
318	T	88.6	Confident	92.1	Very high	53 Å²	53	59.6 Å²	59.6	33%	0.325	31%	0.309	S	S	.	.	H	α-helix	trans	-90	-44.2	-173.4	-38.9	0	0	0	0	112	S315 R316 A320 K321 L322	S315-T318 PolarHBondContact O-N 3.39Å; R316-T318 VanDerWaalsContact C-N 3.34Å; T318-A320 PolarHBondContact O-N 3.42Å; T318-K321 WeakPolarHBondContact O-CB 3.42Å; T318-K321 PolarHBondContact O-N 3.19Å; T318-L322 HydrophobicContact CG2-CD1 3.46Å; T318-L322 VanDerWaalsContact CG2-CD1 3.46Å; T318-L322 HydrophobicContact CG2-CG 3.89Å; T318-L322 WeakPolarHBondContact O-CB 3.46Å; T318-L322 VanDerWaalsContact O-CG 3.27Å; T318-L322 WeakPolarHBondContact O-CG 3.29Å; T318-L322 PolarHBondContact O-N 3.19Å
319	V	92.5	Very high	92.1	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63	-48.7	-168.5	172.6	0	0	0	0	112.2	F249 T263 V298 L314 S315 K321 L322 I323	F249-V319 HydrophobicContact CE1-CG1 4.26Å; T263-V319 HydrophobicContact CG2-CG1 3.82Å; V298-V319 HydrophobicContact CG1-CG2 4Å; L314-V319 HydrophobicContact CD1-CG1 4.33Å; L314-V319 HydrophobicContact CD1-CG2 3.67Å; L314-V319 HydrophobicContact CG-CG2 4.34Å; S315-V319 VanDerWaalsContact O-CB 3.27Å; S315-V319 WeakPolarHBondContact O-CB 3.32Å; S315-V319 WeakPolarHBondContact O-CG2 3.37Å; S315-V319 PolarHBondContact O-N 3.35Å; V319-K321 PolarHBondContact O-N 3.14Å; V319-L322 PolarHBondContact O-N 3.46Å; V319-I323 HydrophobicContact CG1-CD1 3.69Å; V319-I323 HydrophobicContact CG1-CG1 4.48Å; V319-I323 WeakPolarHBondContact O-CG1 3.48Å; V319-I323 PolarHBondContact O-N 2.89Å
320	A	90.9	Very high	92.1	Very high	30 Å²	30	57.4 Å²	57.4	25%	0.248	30%	0.297	C	S	.	.	H	α-helix	trans	-63.6	-34.1	179.7	0	0	0	0	0	111.9	F267 T318 K324	F267-A320 HydrophobicContact CE2-CB 4.46Å; F267-A320 WeakPolarHBondContact CZ-O 3.14Å; T318-A320 PolarHBondContact O-N 3.42Å; A320-K324 WeakPolarHBondContact O-CB 3.46Å; A320-K324 PolarHBondContact O-N 3.36Å
321	K	94.1	Very high	92	Very high	127 Å²	127	57.2 Å²	57.2	55%	0.552	30%	0.295	S	S	*	.	H	α-helix	trans	-69.1	-50.2	175.2	-179.1	-179	172.2	-175.2	0	111.1	T318 V319 I323 K324 E325	T318-K321 WeakPolarHBondContact O-CB 3.42Å; T318-K321 PolarHBondContact O-N 3.19Å; V319-K321 PolarHBondContact O-N 3.14Å; K321-I323 PolarHBondContact O-N 3.34Å; K321-K324 WeakPolarHBondContact O-CB 3.42Å; K321-K324 PolarHBondContact O-N 3.19Å; K321-K324 VanDerWaalsContact O-N 3.15Å; K321-E325 WeakPolarHBondContact CE-OE1 3.44Å; K321-E325 WeakPolarHBondContact CG-OE1 3.47Å; K321-E325 WeakPolarHBondContact O-CG 3.36Å; K321-E325 PolarHBondContact O-N 3.46Å
322	L	96.2	Very high	92.2	Very high	26 Å²	26	54.6 Å²	54.6	14%	0.136	28%	0.281	C	S	.	.	H	α-helix	trans	-58.3	-45.3	179.6	-72.1	167.7	0	0	0	112.1	I300 V310 Q312 T318 V319 E325 N326	I300-L322 HydrophobicContact CD1-CB 4.39Å; V310-L322 HydrophobicContact CG1-CB 4.39Å; V310-L322 HydrophobicContact CG1-CD1 3.83Å; V310-L322 HydrophobicContact CG1-CD2 4.12Å; V310-L322 HydrophobicContact CG1-CG 4.34Å; V310-L322 HydrophobicContact CG2-CD2 4.33Å; Q312-L322 HydrophobicContact CB-CD1 3.92Å; Q312-L322 HydrophobicContact CG-CD1 3.95Å; T318-L322 HydrophobicContact CG2-CD1 3.46Å; T318-L322 VanDerWaalsContact CG2-CD1 3.46Å; T318-L322 HydrophobicContact CG2-CG 3.89Å; T318-L322 WeakPolarHBondContact O-CB 3.46Å; T318-L322 VanDerWaalsContact O-CG 3.27Å; T318-L322 WeakPolarHBondContact O-CG 3.29Å; T318-L322 PolarHBondContact O-N 3.19Å; V319-L322 PolarHBondContact O-N 3.46Å; L322-E325 PolarHBondContact O-N 3.2Å; L322-N326 WeakPolarHBondContact O-CB 3.33Å; L322-N326 PolarHBondContact O-N 2.91Å; L322-N326 PolarHBondContact O-ND2 2.93Å
323	I	96.1	Very high	92.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-68.3	-42	177.2	-64.8	167.2	0	0	0	110	V247 T263 F267 F273 I300 V319 K321 E325 N326 K327	V247-I323 HydrophobicContact CG1-CD1 4.07Å; V247-I323 HydrophobicContact CG1-CG1 4.43Å; V247-I323 HydrophobicContact CG2-CG1 4.44Å; T263-I323 HydrophobicContact CG2-CD1 3.29Å; F267-I323 HydrophobicContact CB-CG2 3.91Å; F267-I323 HydrophobicContact CD1-CG2 3.88Å; F267-I323 HydrophobicContact CD2-CB 4.22Å; F267-I323 HydrophobicContact CD2-CG2 3.62Å; F267-I323 HydrophobicContact CE1-CG2 4.26Å; F267-I323 HydrophobicContact CE2-CB 4.21Å; F267-I323 HydrophobicContact CE2-CG2 4.04Å; F267-I323 HydrophobicContact CG-CG2 3.53Å; F267-I323 HydrophobicContact CZ-CG2 4.34Å; F273-I323 HydrophobicContact CE1-CD1 4.25Å; I300-I323 HydrophobicContact CD1-CB 4.48Å; I300-I323 HydrophobicContact CD1-CG1 3.76Å; V319-I323 HydrophobicContact CG1-CD1 3.69Å; V319-I323 HydrophobicContact CG1-CG1 4.48Å; V319-I323 WeakPolarHBondContact O-CG1 3.48Å; V319-I323 PolarHBondContact O-N 2.89Å; K321-I323 PolarHBondContact O-N 3.34Å; I323-E325 VanDerWaalsContact C-N 3.26Å; I323-E325 PolarHBondContact O-N 3.21Å; I323-N326 CarbonylContact O-C 3.59Å; I323-N326 PolarHBondContact O-N 3.42Å; I323-N326 VanDerWaalsContact O-N 3.1Å; I323-K327 WeakPolarHBondContact O-CA 3.48Å; I323-K327 VanDerWaalsContact O-CB 3.25Å; I323-K327 WeakPolarHBondContact O-CB 3.24Å; I323-K327 PolarHBondContact O-N 3.15Å
324	K	94.1	Very high	92.5	Very high	141 Å²	141	47.8 Å²	47.8	61%	0.613	24%	0.243	S	C	*	.	H	α-helix	trans	-58.2	-40	176.4	-177.2	-178.8	176.5	-173.2	0	112.3	F267 A320 K321	F267-K324 HydrophobicContact CE1-CB 4Å; F267-K324 HydrophobicContact CZ-CB 4Å; A320-K324 WeakPolarHBondContact O-CB 3.46Å; A320-K324 PolarHBondContact O-N 3.36Å; K321-K324 WeakPolarHBondContact O-CB 3.42Å; K321-K324 PolarHBondContact O-N 3.19Å; K321-K324 VanDerWaalsContact O-N 3.15Å
325	E	93	Very high	92.7	Very high	116 Å²	116	46.9 Å²	46.9	54%	0.542	24%	0.239	S	C	.	.	H	α-helix	trans	-71.5	-29.4	177.2	-72	169.2	-178.9	0	0	112.5	K321 L322 I323	K321-E325 WeakPolarHBondContact CE-OE1 3.44Å; K321-E325 WeakPolarHBondContact CG-OE1 3.47Å; K321-E325 WeakPolarHBondContact O-CG 3.36Å; K321-E325 PolarHBondContact O-N 3.46Å; L322-E325 PolarHBondContact O-N 3.2Å; I323-E325 VanDerWaalsContact C-N 3.26Å; I323-E325 PolarHBondContact O-N 3.21Å
326	N	95.4	Very high	92.8	Very high	22 Å²	22	45.1 Å²	45.1	12%	0.118	23%	0.226	C	C	.	.	H	α-helix	trans	-115.8	19.2	-175.7	-67.4	-80.5	0	0	0	114.4	V245 I300 L322 I323 L328	V245-N326 WeakPolarHBondContact CG2-O 3.4Å; I300-N326 HydrophobicContact CD1-CB 4.18Å; I300-N326 HydrophobicContact CG2-CB 4.07Å; L322-N326 WeakPolarHBondContact O-CB 3.33Å; L322-N326 PolarHBondContact O-N 2.91Å; L322-N326 PolarHBondContact O-ND2 2.93Å; I323-N326 CarbonylContact O-C 3.59Å; I323-N326 PolarHBondContact O-N 3.42Å; I323-N326 VanDerWaalsContact O-N 3.1Å; N326-L328 PolarHBondContact O-N 3.17Å; N326-L328 VanDerWaalsContact O-N 3.16Å
327	K	95.4	Very high	93.3	Very high	51 Å²	51	40.8 Å²	40.8	22%	0.222	21%	0.211	C	C	.	.			trans	-70.1	-9.5	-176.4	65.2	-179.8	178.4	165.6	0	114.1	F270 I323	F270-K327 HydrophobicContact CB-CB 4.14Å; F270-K327 WeakPolarHBondContact CB-O 3.35Å; F270-K327 HydrophobicContact CD2-CD 4.36Å; I323-K327 WeakPolarHBondContact O-CA 3.48Å; I323-K327 VanDerWaalsContact O-CB 3.25Å; I323-K327 WeakPolarHBondContact O-CB 3.24Å; I323-K327 PolarHBondContact O-N 3.15Å
328	L	94.7	Very high	93.7	Very high	41 Å²	41	39 Å²	39	22%	0.215	20%	0.197	C	C	.	.	S	Bend	trans	-112.8	144.9	179.7	-61	175.6	0	0	0	110.2	F270 K302 N326 T342 I343	F270-L328 HydrophobicContact CD1-CD2 3.84Å; F270-L328 HydrophobicContact CE1-CD2 4.07Å; K302-L328 VanDerWaalsContact CE-O 3.31Å; K302-L328 WeakPolarHBondContact CE-O 3.35Å; N326-L328 PolarHBondContact O-N 3.17Å; N326-L328 VanDerWaalsContact O-N 3.16Å; L328-T342 HydrophobicContact CD1-CG2 4.24Å; L328-T342 HydrophobicContact CD2-CG2 4.35Å; L328-I343 HydrophobicContact CD1-CG1 3.95Å; L328-I343 HydrophobicContact CD2-CG1 4.28Å
329	L	95	Very high	93.9	Very high	13 Å²	13	36.9 Å²	36.9	7%	0.068	18%	0.184	C	C	.	.			trans	-57.4	158.3	162.1	-66.5	176.4	0	0	0	109.7	V245 K302 E303 F331 P332	V245-L329 HydrophobicContact CG2-CD2 4.07Å; V245-L329 HydrophobicContact CG2-CG 4.3Å; K302-L329 HydrophobicContact CB-CD2 4.08Å; K302-L329 WeakPolarHBondContact O-CD2 3.4Å; E303-L329 HydrophobicContact CG-CD2 4.38Å; E303-L329 WeakPolarHBondContact OE1-CB 3.48Å; L329-F331 VanDerWaalsContact C-N 3.31Å; L329-P332 HydrophobicContact CB-CB 4.36Å; L329-P332 WeakPolarHBondContact O-CD 3.31Å
330	S	92.3	Very high	93.9	Very high	49 Å²	49	36.9 Å²	36.9	34%	0.343	18%	0.184	S	C	.	.	S	Bend	trans	-65.7	-38.7	176.6	-45.7	0	0	0	0	110.6	K302 E303 L379	K302-S330 WeakPolarHBondContact CD-OG 3.17Å; E303-S330 VanDerWaalsContact OE1-CA 3.31Å; E303-S330 WeakPolarHBondContact OE1-CA 3.33Å; E303-S330 VanDerWaalsContact OE1-CB 3.23Å; E303-S330 WeakPolarHBondContact OE1-CB 3.4Å; E303-S330 PolarHBondContact OE1-N 3.5Å; E303-S330 PolarHBondContact OE1-OG 3.49Å; E303-S330 WeakPolarHBondContact OE2-CB 3.43Å; E303-S330 PolarHBondContact OE2-OG 2.84Å; S330-L379 WeakPolarHBondContact O-CD2 3.47Å
331	F	94.2	Very high	94	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.035	18%	0.184	C	C	.	.	S	Bend	trans	-125.6	78.7	172.9	-169.6	-140.4	0	0	0	111.4	E303 L329 L360 I372 Y375 L376 H391 C392 Y393	E303-F331 PolarHBondContact OE1-N 3.44Å; L329-F331 VanDerWaalsContact C-N 3.31Å; F331-L360 HydrophobicContact CE1-CD2 4.07Å; F331-L360 HydrophobicContact CZ-CB 3.88Å; F331-L360 HydrophobicContact CZ-CD2 3.9Å; F331-I372 HydrophobicContact CD1-CG2 3.95Å; F331-I372 HydrophobicContact CE1-CG2 3.92Å; F331-Y375 HydrophobicContact CD1-CD1 4.19Å; F331-Y375 HydrophobicContact CD2-CD1 4.16Å; F331-Y375 HydrophobicContact CD2-CE1 4.26Å; F331-Y375 AromaticContact CE1-CD1 3.73Å; F331-Y375 HydrophobicContact CE1-CD1 3.73Å; F331-Y375 HydrophobicContact CE1-CG 4.04Å; F331-Y375 AromaticContact CE2-CD1 3.7Å; F331-Y375 HydrophobicContact CE2-CD1 3.7Å; F331-Y375 AromaticContact CE2-CE1 3.69Å; F331-Y375 HydrophobicContact CE2-CE1 3.69Å; F331-Y375 HydrophobicContact CG-CD1 4.39Å; F331-Y375 AromaticContact CZ-CD1 3.45Å; F331-Y375 HydrophobicContact CZ-CD1 3.45Å; F331-Y375 VanDerWaalsContact CZ-CD1 3.45Å; F331-Y375 AromaticContact CZ-CE1 3.84Å; F331-Y375 HydrophobicContact CZ-CE1 3.84Å; F331-Y375 AromaticContact CZ-CG 3.92Å; F331-Y375 HydrophobicContact CZ-CG 3.92Å; F331-L376 HydrophobicContact CB-CD1 3.82Å; F331-H391 HydrophobicContact CD2-CB 3.83Å; F331-H391 HydrophobicContact CE2-CB 3.92Å; F331-C392 WeakPolarHBondContact CE2-O 3.31Å; F331-Y393 AromaticContact CD1-CD1 3.82Å; F331-Y393 HydrophobicContact CD1-CD1 3.82Å; F331-Y393 HydrophobicContact CD1-CE1 4.39Å; F331-Y393 AromaticContact CE1-CD1 3.76Å; F331-Y393 HydrophobicContact CE1-CD1 3.76Å; F331-Y393 HydrophobicContact CE1-CG 4.23Å; F331-Y393 HydrophobicContact CE2-CD1 4.49Å; F331-Y393 HydrophobicContact CG-CD1 4.23Å; F331-Y393 HydrophobicContact CZ-CD1 4.11Å; F331-Y393 HydrophobicContact CZ-CG 4.38Å; F331-Y393 VanDerWaalsContact O-CE1 3.32Å; F331-Y393 WeakPolarHBondContact O-CE1 3.42Å
332	P	95.6	Very high	93.8	Very high	7 Å²	7	33.6 Å²	33.6	5%	0.045	17%	0.17	C	C	.	.			trans	-75.5	150.3	-173.1	30.3	-35.7	0	0	0	113.2	L329 I343 H391 C392 Y393	L329-P332 HydrophobicContact CB-CB 4.36Å; L329-P332 WeakPolarHBondContact O-CD 3.31Å; P332-I343 HydrophobicContact CB-CD1 3.74Å; P332-I343 HydrophobicContact CG-CD1 3.55Å; P332-I343 HydrophobicContact CG-CG1 4.01Å; P332-I343 HydrophobicContact CG-CG2 4.48Å; P332-H391 WeakPolarHBondContact CD-O 3.24Å; P332-C392 HydrophobicContact CG-CB 4.4Å; P332-C392 WeakPolarHBondContact O-CA 3.3Å; P332-C392 WeakPolarHBondContact O-CB 3.5Å; P332-Y393 PolarHBondContact O-N 2.77Å; P332-Y393 VanDerWaalsContact O-N 3.13Å
333	R	94.9	Very high	93.6	Very high	14 Å²	14	32.5 Å²	32.5	5%	0.053	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-79.2	142.2	169.2	-169.5	164.9	67.7	-119.5	3.6	111.1	S241 N243 S335 Y393 E484	S241-R333 PolarHBondContact O-NH1 3.41Å; S241-R333 PolarHBondContact O-NH2 3.04Å; N243-R333 HydrophobicContact CB-CB 4.2Å; N243-R333 PolarHBondContact ND2-O 2.98Å; N243-R333 WeakPolarHBondContact OD1-CB 3.38Å; N243-R333 PolarHBondContact OD1-N 3.13Å; R333-S335 VanDerWaalsContact C-N 3.3Å; R333-S335 PolarHBondContact O-N 2.95Å; R333-Y393 CarbonylContact C-O 3.57Å; R333-Y393 WeakPolarHBondContact CA-O 3.38Å; R333-Y393 HydrophobicContact CB-CD2 4.43Å; R333-Y393 HydrophobicContact CB-CE1 3.94Å; R333-Y393 HydrophobicContact CB-CE2 3.82Å; R333-Y393 HydrophobicContact CG-CD2 4.15Å; R333-Y393 HydrophobicContact CG-CE2 3.67Å; R333-E484 IonicContact CZ-OE2 3.56Å; R333-E484 IonicContact NE-OE2 3.16Å; R333-E484 PolarHBondContact NE-OE2 2.86Å; R333-E484 IonicContact NH2-OE2 2.9Å; R333-E484 PolarHBondContact NH2-OE2 3.15Å
334	L	94.3	Very high	93.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.164	C	C	.	.			trans	-81.8	79.4	165.7	-56.5	-172.7	0	0	0	110.4	F340 I343 L359 C392 Y393 V394 F402 L481	L334-F340 HydrophobicContact CD1-CD2 3.75Å; L334-F340 HydrophobicContact CD1-CE2 4.25Å; L334-F340 HydrophobicContact CD2-CB 4.46Å; L334-F340 HydrophobicContact CD2-CD2 4.27Å; L334-I343 HydrophobicContact CD2-CB 4.37Å; L334-I343 HydrophobicContact CD2-CD1 3.68Å; L334-L359 HydrophobicContact CD1-CD2 3.57Å; L334-L359 HydrophobicContact CD1-CG 4.32Å; L334-C392 HydrophobicContact CD2-CB 4Å; L334-C392 HydrophobicContact CG-CB 4.15Å; L334-Y393 PolarHBondContact N-O 2.85Å; L334-V394 HydrophobicContact CB-CG2 3.87Å; L334-V394 HydrophobicContact CD1-CG2 3.69Å; L334-V394 HydrophobicContact CG-CG2 3.88Å; L334-F402 HydrophobicContact CD1-CE1 4.44Å; L334-L481 HydrophobicContact CB-CD2 3.64Å; L334-L481 WeakPolarHBondContact O-CD2 3.17Å
335	S	92.1	Very high	92.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.151	C	C	.	.			trans	-91.1	-10.3	-176.1	61	0	0	0	0	114.7	N243 R333 D483 E484	N243-S335 PolarHBondContact ND2-OG 3.26Å; R333-S335 VanDerWaalsContact C-N 3.3Å; R333-S335 PolarHBondContact O-N 2.95Å; S335-D483 WeakPolarHBondContact O-CA 3.39Å; S335-E484 PolarHBondContact O-N 3.3Å
336	S	93.3	Very high	92	Very high	8 Å²	8	26 Å²	26	6%	0.056	14%	0.141	C	C	.	.	S	Bend	trans	-162.7	165.4	-178.1	61.5	0	0	0	0	111.6	L338 H339 F340	S336-L338 VanDerWaalsContact C-N 3.29Å; S336-L338 PolarHBondContact O-N 3.39Å; S336-H339 PolarHBondContact O-N 2.92Å; S336-H339 PolarHBondContact OG-N 2.94Å; S336-H339 PolarHBondContact OG-ND1 3.04Å; S336-F340 PolarHBondContact O-N 3.2Å
337	Q	92.9	Very high	90.5	Very high	34 Å²	34	28.5 Å²	28.5	16%	0.159	17%	0.172	C	C	.	.	H	α-helix	trans	-60.6	-37.8	175.7	-171.3	60.5	35.2	0	0	112.5	H339 F340 D341	Q337-H339 PolarHBondContact O-N 3.4Å; Q337-F340 PolarHBondContact O-N 2.84Å; Q337-D341 PolarHBondContact NE2-OD1 3.5Å; Q337-D341 PolarHBondContact NE2-OD2 3.13Å; Q337-D341 PolarHBondContact O-N 3.38Å
338	L	92	Very high	88.6	Confident	79 Å²	79	32.1 Å²	32.1	41%	0.414	20%	0.199	S	C	.	.	H	α-helix	trans	-62.5	-41.3	177.6	179.1	64.2	0	0	0	112	D269 F270 S336 T342	D269-L338 HydrophobicContact CB-CD2 3.83Å; F270-L338 HydrophobicContact CE2-CD2 4.07Å; F270-L338 HydrophobicContact CE2-CG 4.26Å; F270-L338 HydrophobicContact CZ-CD1 4.25Å; F270-L338 HydrophobicContact CZ-CD2 3.97Å; F270-L338 HydrophobicContact CZ-CG 3.72Å; S336-L338 VanDerWaalsContact C-N 3.29Å; S336-L338 PolarHBondContact O-N 3.39Å; L338-T342 WeakPolarHBondContact O-CB 3.44Å; L338-T342 PolarHBondContact O-N 3.4Å; L338-T342 PolarHBondContact O-OG1 3.31Å
339	H	93	Very high	86.7	Confident	8 Å²	8	35.1 Å²	35.1	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-65.7	-44.1	175.4	-77.9	67.8	0	0	0	110.9	N243 F270 S336 Q337 D341 T342 I343	N243-H339 PolarHBondContact ND2-CD2 2.84Å; N243-H339 PolarHBondContact ND2-NE2 2.86Å; F270-H339 AromaticContact CD1-NE2 3.81Å; S336-H339 PolarHBondContact O-N 2.92Å; S336-H339 PolarHBondContact OG-N 2.94Å; S336-H339 PolarHBondContact OG-ND1 3.04Å; Q337-H339 PolarHBondContact O-N 3.4Å; H339-D341 PolarHBondContact O-N 2.9Å; H339-T342 PolarHBondContact O-N 2.89Å; H339-I343 HydrophobicContact CB-CD1 4.18Å; H339-I343 WeakPolarHBondContact O-CB 3.41Å; H339-I343 WeakPolarHBondContact O-CD1 3.47Å; H339-I343 VanDerWaalsContact O-CG1 3.23Å; H339-I343 WeakPolarHBondContact O-CG1 3.33Å; H339-I343 PolarHBondContact O-N 3.37Å
340	F	93.4	Very high	84.9	Confident	1 Å²	1	37.2 Å²	37.2	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-42.7	178.3	-178.6	-133	0	0	0	112.9	L334 S336 Q337 T342 C344 F402 L427 R429 L478 L481	L334-F340 HydrophobicContact CD1-CD2 3.75Å; L334-F340 HydrophobicContact CD1-CE2 4.25Å; L334-F340 HydrophobicContact CD2-CB 4.46Å; L334-F340 HydrophobicContact CD2-CD2 4.27Å; S336-F340 PolarHBondContact O-N 3.2Å; Q337-F340 PolarHBondContact O-N 2.84Å; F340-T342 VanDerWaalsContact C-N 3.29Å; F340-T342 PolarHBondContact O-N 3.24Å; F340-C344 HydrophobicContact CD2-CB 3.73Å; F340-C344 HydrophobicContact CE2-CB 3.55Å; F340-C344 HydrophobicContact CZ-CB 4.47Å; F340-C344 CarbonylContact O-C 3.56Å; F340-C344 WeakPolarHBondContact O-CA 3.44Å; F340-C344 WeakPolarHBondContact O-CB 3.32Å; F340-C344 PolarHBondContact O-N 2.87Å; F340-F402 HydrophobicContact CE1-CE2 4.02Å; F340-F402 HydrophobicContact CE1-CZ 4.4Å; F340-F402 HydrophobicContact CE2-CZ 4.2Å; F340-F402 HydrophobicContact CZ-CE2 4.08Å; F340-F402 HydrophobicContact CZ-CZ 4.05Å; F340-L427 HydrophobicContact CE2-CD2 3.76Å; F340-L427 HydrophobicContact CZ-CD2 3.87Å; F340-R429 VanDerWaalsContact CZ-CD 3.42Å; F340-R429 HydrophobicContact CZ-CG 4.09Å; F340-R429 PolarHBondContact O-NH1 3.23Å; F340-L478 HydrophobicContact CE1-CD1 3.75Å; F340-L478 HydrophobicContact CZ-CD1 3.6Å; F340-L481 HydrophobicContact CB-CD1 3.62Å; F340-L481 HydrophobicContact CD1-CD1 3.4Å; F340-L481 VanDerWaalsContact CD1-CD1 3.4Å; F340-L481 HydrophobicContact CD2-CD1 4.46Å; F340-L481 HydrophobicContact CE1-CD1 4.14Å; F340-L481 HydrophobicContact CG-CD1 3.59Å
341	D	91.7	Very high	83.3	Confident	48 Å²	48	40.9 Å²	40.9	26%	0.257	25%	0.253	S	S	.	.	H	α-helix	trans	-68.1	-29.5	176.4	-66.9	-24.6	0	0	0	112.5	Q337 H339 G345 R429	Q337-D341 PolarHBondContact NE2-OD1 3.5Å; Q337-D341 PolarHBondContact NE2-OD2 3.13Å; Q337-D341 PolarHBondContact O-N 3.38Å; H339-D341 PolarHBondContact O-N 2.9Å; D341-G345 WeakPolarHBondContact O-CA 3.17Å; D341-G345 PolarHBondContact O-N 2.94Å; D341-R429 IonicContact OD1-CZ 3.95Å; D341-R429 VanDerWaalsContact OD1-CZ 3.29Å; D341-R429 IonicContact OD1-NH1 3.71Å; D341-R429 PolarHBondContact OD1-NH1 3.26Å; D341-R429 IonicContact OD1-NH2 3.52Å; D341-R429 PolarHBondContact OD1-NH2 3.06Å
342	T	90.7	Very high	81.5	Confident	40 Å²	40	43.6 Å²	43.6	25%	0.245	27%	0.273	C	S	.	.	H	α-helix	trans	-79.3	-41.3	177.6	-57.4	0	0	0	0	112.6	F270 L328 L338 H339 F340	F270-T342 HydrophobicContact CE1-CG2 4.19Å; F270-T342 HydrophobicContact CZ-CG2 4.12Å; F270-T342 WeakPolarHBondContact CZ-OG1 3.33Å; L328-T342 HydrophobicContact CD1-CG2 4.24Å; L328-T342 HydrophobicContact CD2-CG2 4.35Å; L338-T342 WeakPolarHBondContact O-CB 3.44Å; L338-T342 PolarHBondContact O-N 3.4Å; L338-T342 PolarHBondContact O-OG1 3.31Å; H339-T342 PolarHBondContact O-N 2.89Å; F340-T342 VanDerWaalsContact C-N 3.29Å; F340-T342 PolarHBondContact O-N 3.24Å
343	I	90.7	Very high	79.9	Confident	2 Å²	2	48 Å²	48	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-80.6	-48.2	-176.7	-63.4	159.4	0	0	0	110	L328 P332 L334 H339 K355 C392	L328-I343 HydrophobicContact CD1-CG1 3.95Å; L328-I343 HydrophobicContact CD2-CG1 4.28Å; P332-I343 HydrophobicContact CB-CD1 3.74Å; P332-I343 HydrophobicContact CG-CD1 3.55Å; P332-I343 HydrophobicContact CG-CG1 4.01Å; P332-I343 HydrophobicContact CG-CG2 4.48Å; L334-I343 HydrophobicContact CD2-CB 4.37Å; L334-I343 HydrophobicContact CD2-CD1 3.68Å; H339-I343 HydrophobicContact CB-CD1 4.18Å; H339-I343 WeakPolarHBondContact O-CB 3.41Å; H339-I343 WeakPolarHBondContact O-CD1 3.47Å; H339-I343 VanDerWaalsContact O-CG1 3.23Å; H339-I343 WeakPolarHBondContact O-CG1 3.33Å; H339-I343 PolarHBondContact O-N 3.37Å; I343-K355 WeakPolarHBondContact O-CE 3.21Å; I343-K355 PolarHBondContact O-NZ 3.01Å; I343-C392 HydrophobicContact CG2-CB 4.18Å
344	C	89.2	Confident	78.9	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.014	30%	0.303	C	S	.	.	S	Bend	trans	-111.5	64.6	-178.2	-59	0	0	0	0	109.6	F340 C357 R429	F340-C344 HydrophobicContact CD2-CB 3.73Å; F340-C344 HydrophobicContact CE2-CB 3.55Å; F340-C344 HydrophobicContact CZ-CB 4.47Å; F340-C344 CarbonylContact O-C 3.56Å; F340-C344 WeakPolarHBondContact O-CA 3.44Å; F340-C344 WeakPolarHBondContact O-CB 3.32Å; F340-C344 PolarHBondContact O-N 2.87Å; C344-C357 WeakPolarHBondContact CA-SG 3.47Å; C344-C357 HydrophobicContact CB-CB 4.05Å; C344-C357 WeakPolarHBondContact CB-SG 3.19Å; C344-C357 WeakPolarHBondContact SG-CB 3.45Å; C344-C357 CovalentContact SG-SG 2.03Å; C344-C357 PolarHBondContact SG-SG 2.8Å; C344-R429 WeakPolarHBondContact O-CD 3.37Å; C344-R429 PolarHBondContact O-NH1 2.85Å
345	G	83.1	Confident	78.4	Confident	32 Å²	32	52 Å²	52	33%	0.33	31%	0.313	S	S	.	.			trans	-57.4	168.2	178.1	0	0	0	0	0	113.8	D341	D341-G345 WeakPolarHBondContact O-CA 3.17Å; D341-G345 PolarHBondContact O-N 2.94Å
346	Y	79.1	Confident	78.3	Confident	86 Å²	86	52.1 Å²	52.1	34%	0.337	31%	0.314	S	S	.	.			trans	-142.8	149.8	175.9	63	-90.6	0	0	0	111.1	T348 K432	Y346-T348 VanDerWaalsContact C-N 3.3Å; Y346-T348 PolarHBondContact O-N 2.95Å; Y346-T348 VanDerWaalsContact O-N 3.08Å; Y346-K432 HydrophobicContact CE1-CB 4.11Å; Y346-K432 HydrophobicContact CE1-CG 4.28Å; Y346-K432 HydrophobicContact CE2-CB 4.2Å
347	G	63.2	Low	78.2	Confident	75 Å²	75	51.8 Å²	51.8	77%	0.773	31%	0.312	S	S	*	.	S	Bend	trans	74.4	-6.9	158.2	0	0	0	0	0	118.7
348	T	55.2	Low	78.2	Confident	127 Å²	127	50.2 Å²	50.2	78%	0.779	30%	0.304	S	S	*	.	S	Bend	trans	-89.5	-7.8	179.2	47.1	0	0	0	0	114.2	Y346	Y346-T348 VanDerWaalsContact C-N 3.3Å; Y346-T348 PolarHBondContact O-N 2.95Å; Y346-T348 VanDerWaalsContact O-N 3.08Å
349	E	54.5	Low	78.3	Confident	105 Å²	105	46.5 Å²	46.5	49%	0.491	29%	0.285	S	S	.	.	S	Bend	trans	-123.6	144.8	-168.7	-69.5	167.6	-174.8	0	0	108.9	M353	E349-M353 HydrophobicContact CB-CB 3.78Å; E349-M353 HydrophobicContact CG-CB 4.46Å
350	A	57	Low	78.3	Confident	57 Å²	57	46.1 Å²	46.1	47%	0.471	28%	0.283	S	S	.	.			trans	-48.8	149.7	172.6	0	0	0	0	0	109.6	S352 M353	A350-S352 PolarHBondContact O-N 2.95Å; A350-M353 PolarHBondContact O-N 3.33Å
351	P	58.7	Low	78.2	Confident	125 Å²	125	46.2 Å²	46.2	81%	0.812	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-53.4	-24.2	179.5	17.3	-29.5	0	0	0	113.5	M353	P351-M353 VanDerWaalsContact C-N 3.29Å; P351-M353 PolarHBondContact O-N 2.72Å
352	S	57.6	Low	78	Confident	65 Å²	65	44 Å²	44	46%	0.455	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-68.2	-19.5	173.7	55.5	0	0	0	0	115.3	A350	A350-S352 PolarHBondContact O-N 2.95Å
353	M	62.4	Low	77.7	Confident	99 Å²	99	43.1 Å²	43.1	49%	0.488	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-109.4	14.8	-175.2	-71.1	-73.7	-94.7	0	0	111.5	E349 A350 P351 K355 L388	E349-M353 HydrophobicContact CB-CB 3.78Å; E349-M353 HydrophobicContact CG-CB 4.46Å; A350-M353 PolarHBondContact O-N 3.33Å; P351-M353 VanDerWaalsContact C-N 3.29Å; P351-M353 PolarHBondContact O-N 2.72Å; M353-K355 PolarHBondContact O-N 3.18Å; M353-L388 HydrophobicContact SD-CD2 4.16Å
354	Q	73.8	Confident	77.3	Confident	49 Å²	49	49.9 Å²	49.9	23%	0.229	29%	0.293	C	S	.	.			trans	-61.1	114.5	-177.9	-172.8	175.7	32.3	0	0	111.6	L356 R429 Q430	Q354-L356 PolarHBondContact O-N 2.74Å; Q354-R429 PolarHBondContact NE2-O 2.87Å; Q354-Q430 VanDerWaalsContact NE2-CD 3.28Å; Q354-Q430 VanDerWaalsContact OE1-NE2 3.11Å
355	K	83.6	Confident	77.1	Confident	50 Å²	50	54.9 Å²	54.9	22%	0.217	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-61.2	128.4	177.4	-159.5	174.9	-170.8	-166.1	0	112.5	I343 M353 L388 S390	I343-K355 WeakPolarHBondContact O-CE 3.21Å; I343-K355 PolarHBondContact O-NZ 3.01Å; M353-K355 PolarHBondContact O-N 3.18Å; K355-L388 CarbonylContact C-O 3.6Å; K355-L388 WeakPolarHBondContact CA-O 3.31Å; K355-L388 WeakPolarHBondContact CG-O 3.26Å; K355-S390 WeakPolarHBondContact CE-OG 3.15Å; K355-S390 PolarHBondContact NZ-OG 3.28Å
356	L	88.6	Confident	77	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	126.2	171.6	-178.9	67	0	0	0	109.5	Q354 L388 V389 S390 L426 K428 M462 A465	Q354-L356 PolarHBondContact O-N 2.74Å; L356-L388 PolarHBondContact N-O 3.18Å; L356-V389 HydrophobicContact CB-CG2 4.47Å; L356-V389 HydrophobicContact CD2-CG2 4.42Å; L356-V389 CarbonylContact O-C 3.53Å; L356-V389 WeakPolarHBondContact O-CA 3.46Å; L356-S390 PolarHBondContact O-N 2.87Å; L356-L426 HydrophobicContact CD1-CB 4.36Å; L356-K428 HydrophobicContact CD1-CG 3.98Å; L356-M462 HydrophobicContact CD2-CB 4.38Å; L356-M462 HydrophobicContact CD2-CG 4.41Å; L356-A465 HydrophobicContact CD1-CB 4.12Å; L356-A465 HydrophobicContact CD2-CB 3.9Å
357	C	92	Very high	77.1	Confident	2 Å²	2	57 Å²	57	1%	0.014	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.6	170.8	-87.6	0	0	0	0	111.3	C344 L359 S390 L427	C344-C357 WeakPolarHBondContact CA-SG 3.47Å; C344-C357 HydrophobicContact CB-CB 4.05Å; C344-C357 WeakPolarHBondContact CB-SG 3.19Å; C344-C357 WeakPolarHBondContact SG-CB 3.45Å; C344-C357 CovalentContact SG-SG 2.03Å; C344-C357 PolarHBondContact SG-SG 2.8Å; C357-L359 HydrophobicContact CB-CD1 3.93Å; C357-S390 CarbonylContact C-O 3.58Å; C357-S390 WeakPolarHBondContact CA-O 3.41Å; C357-L427 HydrophobicContact CB-CB 4.16Å; C357-L427 PolarHBondContact N-O 3.41Å; C357-L427 PolarHBondContact O-N 3.41Å
358	V	93.3	Very high	78.1	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	112.7	174.8	-174.5	0	0	0	0	107.3	Y375 V389 S390 H391 C392 V424 L426 M462	V358-Y375 WeakPolarHBondContact CG1-OH 3.29Å; V358-V389 HydrophobicContact CG2-CG1 3.68Å; V358-S390 PolarHBondContact N-O 2.87Å; V358-H391 WeakPolarHBondContact O-CA 3.41Å; V358-C392 PolarHBondContact O-N 2.98Å; V358-C392 VanDerWaalsContact O-O 3.1Å; V358-V424 HydrophobicContact CG1-CG1 3.52Å; V358-L426 HydrophobicContact CB-CD2 4.41Å; V358-L426 HydrophobicContact CG1-CD2 4.13Å; V358-L426 HydrophobicContact CG2-CD2 3.89Å; V358-M462 HydrophobicContact CG2-CE 4.4Å; V358-M462 HydrophobicContact CG2-CG 4.03Å; V358-M462 HydrophobicContact CG2-SD 3.89Å
359	L	93.6	Very high	79.7	Confident	1 Å²	1	54 Å²	54	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	112.7	-176.9	-61.6	84.8	0	0	0	109.3	L334 C357 C392 V394 F402 V424 V425 L427	L334-L359 HydrophobicContact CD1-CD2 3.57Å; L334-L359 HydrophobicContact CD1-CG 4.32Å; C357-L359 HydrophobicContact CB-CD1 3.93Å; L359-C392 CarbonylContact C-O 3.48Å; L359-C392 WeakPolarHBondContact CA-O 3.03Å; L359-V394 HydrophobicContact CD2-CG2 4.01Å; L359-F402 HydrophobicContact CD2-CE1 4.11Å; L359-F402 HydrophobicContact CD2-CZ 4.36Å; L359-V424 CarbonylContact O-C 3.57Å; L359-V424 WeakPolarHBondContact O-CA 3.34Å; L359-V425 HydrophobicContact CB-CB 4.25Å; L359-V425 WeakPolarHBondContact CD1-O 3.48Å; L359-V425 PolarHBondContact N-O 3.41Å; L359-V425 PolarHBondContact O-N 2.88Å; L359-L427 HydrophobicContact CD1-CB 3.4Å; L359-L427 VanDerWaalsContact CD1-CB 3.4Å; L359-L427 HydrophobicContact CD1-CD2 3.8Å; L359-L427 HydrophobicContact CD1-CG 4.23Å; L359-L427 HydrophobicContact CD2-CD2 4.36Å
360	L	93.6	Very high	81.3	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	121.2	168.2	-178.6	65.8	0	0	0	109.3	F331 I372 Y375 C392 Y393 V394 K422 V424 W444	F331-L360 HydrophobicContact CE1-CD2 4.07Å; F331-L360 HydrophobicContact CZ-CB 3.88Å; F331-L360 HydrophobicContact CZ-CD2 3.9Å; L360-I372 HydrophobicContact CD2-CG1 4.29Å; L360-Y375 HydrophobicContact CD2-CD2 4.18Å; L360-Y375 HydrophobicContact CD2-CG 4.28Å; L360-C392 PolarHBondContact N-O 2.98Å; L360-Y393 CarbonylContact O-C 3.56Å; L360-Y393 WeakPolarHBondContact O-CA 3.35Å; L360-Y393 WeakPolarHBondContact O-CB 3.42Å; L360-V394 PolarHBondContact O-N 3.1Å; L360-K422 HydrophobicContact CD1-CB 3.8Å; L360-V424 HydrophobicContact CD1-CG2 3.97Å; L360-W444 HydrophobicContact CD1-CB 4.07Å; L360-W444 HydrophobicContact CD1-CG 4.17Å
361	L	90.3	Very high	82.8	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	118.5	174.4	-55.7	-172.1	0	0	0	109.2	V394 L403 M407 M415 T423 V425	L361-V394 HydrophobicContact CD2-CB 4.33Å; L361-L403 HydrophobicContact CD2-CD1 4.14Å; L361-L403 HydrophobicContact CD2-CD2 3.47Å; L361-L403 VanDerWaalsContact CD2-CD2 3.47Å; L361-L403 HydrophobicContact CD2-CG 4.49Å; L361-M407 HydrophobicContact CD1-SD 4.11Å; L361-M415 HydrophobicContact CB-CE 3.88Å; L361-M415 HydrophobicContact CB-SD 4.05Å; L361-M415 HydrophobicContact CD1-SD 3.62Å; L361-T423 HydrophobicContact CD1-CG2 4.01Å; L361-T423 PolarHBondContact N-O 2.91Å; L361-V425 HydrophobicContact CD1-CG2 3.9Å; L361-V425 HydrophobicContact CD2-CG2 4.39Å; L361-V425 HydrophobicContact CG-CG2 4.13Å
362	A	88.5	Confident	84.4	Confident	3 Å²	3	46 Å²	46	3%	0.025	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	163.6	-177.1	0	0	0	0	0	111.2	D368 I372 V394 Y395 S396	A362-D368 HydrophobicContact CB-CB 4.41Å; A362-I372 HydrophobicContact CB-CD1 3.83Å; A362-I372 HydrophobicContact CB-CG1 4.16Å; A362-V394 PolarHBondContact N-O 3.15Å; A362-Y395 HydrophobicContact CB-CD1 4.34Å; A362-Y395 HydrophobicContact CB-CE1 4.44Å; A362-Y395 CarbonylContact O-C 3.52Å; A362-Y395 VanDerWaalsContact O-CA 3.29Å; A362-Y395 WeakPolarHBondContact O-CA 3.44Å; A362-S396 PolarHBondContact O-N 3.38Å; A362-S396 PolarHBondContact O-OG 3.03Å
363	S	83.9	Confident	86	Confident	20 Å²	20	46 Å²	46	14%	0.14	23%	0.227	C	C	.	.			trans	-108.5	170.6	167.4	71.4	0	0	0	0	110	Q365 D368 Y395 E397	S363-Q365 PolarHBondContact O-N 3.39Å; S363-Q365 WeakPolarHBondContact OG-CB 3.42Å; S363-Q365 WeakPolarHBondContact OG-CG 3.45Å; S363-Q365 PolarHBondContact OG-N 3.47Å; S363-D368 VanDerWaalsContact CB-OD2 3.29Å; S363-D368 WeakPolarHBondContact CB-OD2 3.09Å; S363-D368 PolarHBondContact N-OD2 2.81Å; S363-D368 WeakPolarHBondContact O-CB 3.17Å; S363-D368 PolarHBondContact OG-OD2 3.32Å; S363-Y395 WeakPolarHBondContact O-CD1 3.15Å; S363-Y395 VanDerWaalsContact O-CE1 3.29Å; S363-Y395 WeakPolarHBondContact O-CE1 2.89Å; S363-E397 VanDerWaalsContact CA-OE1 3.3Å; S363-E397 WeakPolarHBondContact CA-OE1 3.42Å; S363-E397 WeakPolarHBondContact CA-OE2 3.42Å; S363-E397 WeakPolarHBondContact CB-OE1 3.41Å
364	R	82.8	Confident	87.3	Confident	144 Å²	144	41.4 Å²	41.4	54%	0.543	20%	0.204	S	C	.	.	S	Bend	trans	-80	7.1	173.7	-71.7	-174.9	172.8	-175.5	-5.5	113.6	Y395 E397	R364-Y395 HydrophobicContact CG-CD1 3.85Å; R364-Y395 HydrophobicContact CG-CD2 3.9Å; R364-Y395 HydrophobicContact CG-CE1 3.98Å; R364-Y395 HydrophobicContact CG-CE2 4Å; R364-Y395 HydrophobicContact CG-CG 3.84Å; R364-E397 PolarHBondContact N-OE1 2.91Å
365	Q	84.4	Confident	88.2	Confident	108 Å²	108	39.1 Å²	39.1	51%	0.505	19%	0.194	S	C	.	.	S	Bend	trans	-71.8	150.8	-178.8	-61.5	-61.2	-31.5	0	0	112.1	S363 S367 D368 K369	S363-Q365 PolarHBondContact O-N 3.39Å; S363-Q365 WeakPolarHBondContact OG-CB 3.42Å; S363-Q365 WeakPolarHBondContact OG-CG 3.45Å; S363-Q365 PolarHBondContact OG-N 3.47Å; Q365-S367 VanDerWaalsContact C-N 3.25Å; Q365-S367 PolarHBondContact O-N 3.4Å; Q365-D368 PolarHBondContact O-N 2.82Å; Q365-K369 PolarHBondContact O-N 3.34Å; Q365-K369 VanDerWaalsContact O-N 3.14Å
366	P	81.5	Confident	88.6	Confident	105 Å²	105	39 Å²	39	68%	0.682	20%	0.195	S	C	*	.	H	α-helix	trans	-57.1	-35	177.4	-25.8	34.7	0	0	0	114.1	D368 K369 F370	P366-D368 PolarHBondContact O-N 3.46Å; P366-K369 WeakPolarHBondContact O-CB 3.35Å; P366-K369 PolarHBondContact O-N 2.94Å; P366-F370 PolarHBondContact O-N 2.93Å
367	S	80.7	Confident	88.7	Confident	58 Å²	58	45.9 Å²	45.9	41%	0.406	22%	0.221	S	C	.	.	H	α-helix	trans	-56.8	-38	174.5	54.7	0	0	0	0	112.2	Q365 F370 Q371	Q365-S367 VanDerWaalsContact C-N 3.25Å; Q365-S367 PolarHBondContact O-N 3.4Å; S367-F370 WeakPolarHBondContact O-CB 3.33Å; S367-F370 PolarHBondContact O-N 3.49Å; S367-Q371 WeakPolarHBondContact O-CG 3.3Å; S367-Q371 PolarHBondContact O-N 2.97Å
368	D	84.7	Confident	88.7	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-84.6	-28.3	-175.3	-70.8	28	0	0	0	111.3	A362 S363 Q365 P366 F370 Q371 I372 K422	A362-D368 HydrophobicContact CB-CB 4.41Å; S363-D368 VanDerWaalsContact CB-OD2 3.29Å; S363-D368 WeakPolarHBondContact CB-OD2 3.09Å; S363-D368 PolarHBondContact N-OD2 2.81Å; S363-D368 WeakPolarHBondContact O-CB 3.17Å; S363-D368 PolarHBondContact OG-OD2 3.32Å; Q365-D368 PolarHBondContact O-N 2.82Å; P366-D368 PolarHBondContact O-N 3.46Å; D368-F370 VanDerWaalsContact C-N 3.28Å; D368-F370 PolarHBondContact O-N 3.4Å; D368-Q371 WeakPolarHBondContact O-CB 3.48Å; D368-Q371 PolarHBondContact O-N 3.28Å; D368-Q371 VanDerWaalsContact O-N 3.14Å; D368-I372 VanDerWaalsContact O-CG1 3.3Å; D368-I372 WeakPolarHBondContact O-CG1 3.14Å; D368-I372 PolarHBondContact O-N 2.94Å; D368-K422 WeakPolarHBondContact OD1-CE 3.29Å; D368-K422 IonicContact OD1-NZ 3.8Å; D368-K422 PolarHBondContact OD1-NZ 2.96Å; D368-K422 VanDerWaalsContact OD2-CE 3.27Å; D368-K422 WeakPolarHBondContact OD2-CE 3.3Å; D368-K422 IonicContact OD2-NZ 2.72Å; D368-K422 PolarHBondContact OD2-NZ 3.37Å
369	K	87.6	Confident	88.5	Confident	134 Å²	134	49 Å²	49	58%	0.583	24%	0.236	S	C	*	.	H	α-helix	trans	-57.1	-45.7	167.5	-175.5	178.3	177.1	-177	0	110.7	Q365 P366 Q371 I372 D373	Q365-K369 PolarHBondContact O-N 3.34Å; Q365-K369 VanDerWaalsContact O-N 3.14Å; P366-K369 WeakPolarHBondContact O-CB 3.35Å; P366-K369 PolarHBondContact O-N 2.94Å; K369-Q371 VanDerWaalsContact C-N 3.29Å; K369-Q371 PolarHBondContact O-N 2.84Å; K369-I372 PolarHBondContact O-N 3.15Å; K369-D373 VanDerWaalsContact O-CG 3.27Å; K369-D373 PolarHBondContact O-N 2.94Å
370	F	88.4	Confident	88.2	Confident	101 Å²	101	53.3 Å²	53.3	44%	0.443	27%	0.266	S	S	.	.	H	α-helix	trans	-58.6	-41	174.5	176	-99.8	0	0	0	112.3	P366 S367 D368 D373 A374 A446	P366-F370 PolarHBondContact O-N 2.93Å; S367-F370 WeakPolarHBondContact O-CB 3.33Å; S367-F370 PolarHBondContact O-N 3.49Å; D368-F370 VanDerWaalsContact C-N 3.28Å; D368-F370 PolarHBondContact O-N 3.4Å; F370-D373 PolarHBondContact O-N 3.1Å; F370-A374 VanDerWaalsContact O-CB 3.27Å; F370-A374 WeakPolarHBondContact O-CB 3.35Å; F370-A374 PolarHBondContact O-N 3.25Å; F370-A446 HydrophobicContact CD1-CB 3.85Å; F370-A446 HydrophobicContact CE1-CB 3.5Å; F370-A446 VanDerWaalsContact CE1-CB 3.5Å; F370-A446 HydrophobicContact CZ-CB 4.38Å
371	Q	89.4	Confident	88	Confident	6 Å²	6	58.4 Å²	58.4	3%	0.028	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-42.5	176.5	-63.6	-71.8	-21.6	0	0	112.5	S367 D368 K369 Y375 D420 K422 W444 A446	S367-Q371 WeakPolarHBondContact O-CG 3.3Å; S367-Q371 PolarHBondContact O-N 2.97Å; D368-Q371 WeakPolarHBondContact O-CB 3.48Å; D368-Q371 PolarHBondContact O-N 3.28Å; D368-Q371 VanDerWaalsContact O-N 3.14Å; K369-Q371 VanDerWaalsContact C-N 3.29Å; K369-Q371 PolarHBondContact O-N 2.84Å; Q371-Y375 WeakPolarHBondContact O-CB 3.34Å; Q371-Y375 PolarHBondContact O-N 3.17Å; Q371-D420 PolarHBondContact NE2-O 3.24Å; Q371-D420 VanDerWaalsContact NE2-O 3.08Å; Q371-K422 HydrophobicContact CB-CG 4.29Å; Q371-K422 HydrophobicContact CG-CG 4.03Å; Q371-W444 PolarHBondContact O-NE1 2.91Å; Q371-W444 VanDerWaalsContact O-NE1 3.14Å; Q371-W444 VanDerWaalsContact OE1-CD1 3.31Å; Q371-A446 VanDerWaalsContact CD-CB 3.45Å; Q371-A446 HydrophobicContact CG-CB 4.45Å
372	I	91.2	Very high	87.8	Confident	13 Å²	13	58.4 Å²	58.4	7%	0.067	29%	0.293	C	S	.	.	H	α-helix	trans	-64.3	-48	177	-68.2	163.9	0	0	0	110.3	F331 L360 A362 D368 K369 A374 Y375 L376 Y393 Y395	F331-I372 HydrophobicContact CD1-CG2 3.95Å; F331-I372 HydrophobicContact CE1-CG2 3.92Å; L360-I372 HydrophobicContact CD2-CG1 4.29Å; A362-I372 HydrophobicContact CB-CD1 3.83Å; A362-I372 HydrophobicContact CB-CG1 4.16Å; D368-I372 VanDerWaalsContact O-CG1 3.3Å; D368-I372 WeakPolarHBondContact O-CG1 3.14Å; D368-I372 PolarHBondContact O-N 2.94Å; K369-I372 PolarHBondContact O-N 3.15Å; I372-A374 VanDerWaalsContact C-N 3.32Å; I372-A374 PolarHBondContact O-N 3.18Å; I372-Y375 WeakPolarHBondContact O-CB 3.42Å; I372-Y375 PolarHBondContact O-N 3.03Å; I372-L376 PolarHBondContact O-N 3.27Å; I372-Y393 HydrophobicContact CD1-CD2 3.83Å; I372-Y393 HydrophobicContact CD1-CE2 3.88Å; I372-Y393 HydrophobicContact CD1-CG 4.38Å; I372-Y393 HydrophobicContact CG1-CD2 4.38Å; I372-Y393 HydrophobicContact CG1-CG 4.47Å; I372-Y393 HydrophobicContact CG2-CD1 4.32Å; I372-Y393 HydrophobicContact CG2-CE1 4.21Å; I372-Y395 HydrophobicContact CD1-CE1 4.15Å
373	D	91	Very high	87.3	Confident	65 Å²	65	59 Å²	59	35%	0.348	30%	0.297	S	S	.	.	H	α-helix	trans	-64.2	-39.6	-179.4	-67.3	-21.1	0	0	0	110.9	K369 F370 L376 R377	K369-D373 VanDerWaalsContact O-CG 3.27Å; K369-D373 PolarHBondContact O-N 2.94Å; F370-D373 PolarHBondContact O-N 3.1Å; D373-L376 PolarHBondContact O-N 2.87Å; D373-R377 WeakPolarHBondContact O-CG 3.42Å; D373-R377 PolarHBondContact O-N 3.46Å; D373-R377 VanDerWaalsContact O-N 3.11Å; D373-R377 PolarHBondContact O-NH1 3.4Å
374	A	90.8	Very high	86.3	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.008	32%	0.324	C	S	.	.	H	α-helix	trans	-64.5	-40.6	173.6	0	0	0	0	0	112.4	F370 I372 R377 H378 W444 A446	F370-A374 VanDerWaalsContact O-CB 3.27Å; F370-A374 WeakPolarHBondContact O-CB 3.35Å; F370-A374 PolarHBondContact O-N 3.25Å; I372-A374 VanDerWaalsContact C-N 3.32Å; I372-A374 PolarHBondContact O-N 3.18Å; A374-R377 PolarHBondContact O-N 3.15Å; A374-H378 PolarHBondContact O-N 3.39Å; A374-H378 PolarHBondContact O-ND1 3.23Å; A374-W444 HydrophobicContact CB-CZ2 4.16Å; A374-A446 HydrophobicContact CB-CB 3.37Å
375	Y	92.3	Very high	85.4	Confident	1 Å²	1	65.3 Å²	65.3	0%	0.004	34%	0.337	C	S	.	.	H	α-helix	trans	-62	-45.6	176.7	-165.6	-80	0	0	0	111	F331 V358 L360 Q371 I372 R377 H378 L379 L382 H391 W444 L458	F331-Y375 HydrophobicContact CD1-CD1 4.19Å; F331-Y375 HydrophobicContact CD2-CD1 4.16Å; F331-Y375 HydrophobicContact CD2-CE1 4.26Å; F331-Y375 AromaticContact CE1-CD1 3.73Å; F331-Y375 HydrophobicContact CE1-CD1 3.73Å; F331-Y375 HydrophobicContact CE1-CG 4.04Å; F331-Y375 AromaticContact CE2-CD1 3.7Å; F331-Y375 HydrophobicContact CE2-CD1 3.7Å; F331-Y375 AromaticContact CE2-CE1 3.69Å; F331-Y375 HydrophobicContact CE2-CE1 3.69Å; F331-Y375 HydrophobicContact CG-CD1 4.39Å; F331-Y375 AromaticContact CZ-CD1 3.45Å; F331-Y375 HydrophobicContact CZ-CD1 3.45Å; F331-Y375 VanDerWaalsContact CZ-CD1 3.45Å; F331-Y375 AromaticContact CZ-CE1 3.84Å; F331-Y375 HydrophobicContact CZ-CE1 3.84Å; F331-Y375 AromaticContact CZ-CG 3.92Å; F331-Y375 HydrophobicContact CZ-CG 3.92Å; V358-Y375 WeakPolarHBondContact CG1-OH 3.29Å; L360-Y375 HydrophobicContact CD2-CD2 4.18Å; L360-Y375 HydrophobicContact CD2-CG 4.28Å; Q371-Y375 WeakPolarHBondContact O-CB 3.34Å; Q371-Y375 PolarHBondContact O-N 3.17Å; I372-Y375 WeakPolarHBondContact O-CB 3.42Å; I372-Y375 PolarHBondContact O-N 3.03Å; Y375-R377 VanDerWaalsContact C-N 3.32Å; Y375-R377 PolarHBondContact O-N 3.01Å; Y375-H378 CarbonylContact O-C 3.47Å; Y375-H378 PolarHBondContact O-N 3.06Å; Y375-H378 VanDerWaalsContact O-N 3.08Å; Y375-L379 HydrophobicContact CD1-CD1 4.45Å; Y375-L379 HydrophobicContact CE1-CD1 3.97Å; Y375-L379 PolarHBondContact O-N 3.19Å; Y375-L382 HydrophobicContact CD1-CD1 4.26Å; Y375-L382 HydrophobicContact CD2-CD1 4.22Å; Y375-L382 HydrophobicContact CE1-CD1 3.81Å; Y375-L382 HydrophobicContact CE2-CD1 3.76Å; Y375-L382 HydrophobicContact CG-CD1 4.45Å; Y375-H391 HydrophobicContact CE1-CB 4.09Å; Y375-H391 AromaticContact CE1-ND1 3.6Å; Y375-H391 AromaticContact CZ-ND1 3.61Å; Y375-H391 PolarHBondContact OH-CE1 3.35Å; Y375-H391 PolarHBondContact OH-ND1 3.14Å; Y375-W444 AromaticContact CD2-CD2 3.57Å; Y375-W444 HydrophobicContact CD2-CD2 3.57Å; Y375-W444 AromaticContact CD2-CE2 3.61Å; Y375-W444 AromaticContact CD2-CE3 3.86Å; Y375-W444 HydrophobicContact CD2-CE3 3.86Å; Y375-W444 HydrophobicContact CD2-CG 4.04Å; Y375-W444 HydrophobicContact CD2-CH2 4.22Å; Y375-W444 AromaticContact CD2-CZ2 3.97Å; Y375-W444 HydrophobicContact CD2-CZ2 3.97Å; Y375-W444 HydrophobicContact CD2-CZ3 4.16Å; Y375-W444 AromaticContact CD2-NE1 4Å; Y375-W444 HydrophobicContact CE2-CD2 4.18Å; Y375-W444 HydrophobicContact CE2-CE3 4.15Å; Y375-W444 HydrophobicContact CG-CZ2 4.3Å; Y375-L458 HydrophobicContact CE2-CD1 4.16Å
376	L	92.1	Very high	84.3	Confident	49 Å²	49	63.3 Å²	63.3	26%	0.257	34%	0.339	S	S	.	.	H	α-helix	trans	-57.8	-43.3	176.6	176.5	63.9	0	0	0	111.8	E303 F331 I372 D373 H378 L379	E303-L376 HydrophobicContact CB-CD2 3.97Å; E303-L376 HydrophobicContact CG-CD1 4.49Å; E303-L376 HydrophobicContact CG-CD2 3.73Å; F331-L376 HydrophobicContact CB-CD1 3.82Å; I372-L376 PolarHBondContact O-N 3.27Å; D373-L376 PolarHBondContact O-N 2.87Å; L376-H378 PolarHBondContact O-N 2.78Å; L376-L379 HydrophobicContact CD1-CD2 4.36Å; L376-L379 VanDerWaalsContact O-CB 3.29Å; L376-L379 WeakPolarHBondContact O-CB 3.48Å; L376-L379 PolarHBondContact O-N 2.82Å
377	R	90.8	Very high	83.6	Confident	145 Å²	145	62.7 Å²	62.7	55%	0.547	34%	0.343	S	S	.	.	H	α-helix	trans	-60.5	-31.4	176.2	-72.2	-169.9	-59.8	-85.6	7.7	113.3	D373 A374 Y375	D373-R377 WeakPolarHBondContact O-CG 3.42Å; D373-R377 PolarHBondContact O-N 3.46Å; D373-R377 VanDerWaalsContact O-N 3.11Å; D373-R377 PolarHBondContact O-NH1 3.4Å; A374-R377 PolarHBondContact O-N 3.15Å; Y375-R377 VanDerWaalsContact C-N 3.32Å; Y375-R377 PolarHBondContact O-N 3.01Å
378	H	91.2	Very high	83.4	Confident	39 Å²	39	63 Å²	63	18%	0.181	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	5.2	-178.8	-65.3	83.6	0	0	0	113.5	A374 Y375 L376 S380 L381 L382 W444 V451 V455	A374-H378 PolarHBondContact O-N 3.39Å; A374-H378 PolarHBondContact O-ND1 3.23Å; Y375-H378 CarbonylContact O-C 3.47Å; Y375-H378 PolarHBondContact O-N 3.06Å; Y375-H378 VanDerWaalsContact O-N 3.08Å; L376-H378 PolarHBondContact O-N 2.78Å; H378-S380 VanDerWaalsContact C-N 3.28Å; H378-S380 PolarHBondContact O-N 3.3Å; H378-L381 WeakPolarHBondContact O-CB 3.38Å; H378-L381 PolarHBondContact O-N 3.24Å; H378-L382 HydrophobicContact CB-CD1 4.47Å; H378-L382 WeakPolarHBondContact O-CG 3.47Å; H378-L382 PolarHBondContact O-N 2.85Å; H378-W444 HydrophobicContact CB-CH2 4.14Å; H378-V451 WeakPolarHBondContact NE2-CG1 3.29Å; H378-V455 HydrophobicContact CB-CG2 4.22Å
379	L	90.3	Very high	83.6	Confident	30 Å²	30	63.5 Å²	63.5	16%	0.157	34%	0.342	C	S	.	.	H	α-helix	trans	-61	-36.7	-174.2	-173.5	64.8	0	0	0	112.8	S330 Y375 L376 L381 L382 S383 H391	S330-L379 WeakPolarHBondContact O-CD2 3.47Å; Y375-L379 HydrophobicContact CD1-CD1 4.45Å; Y375-L379 HydrophobicContact CE1-CD1 3.97Å; Y375-L379 PolarHBondContact O-N 3.19Å; L376-L379 HydrophobicContact CD1-CD2 4.36Å; L376-L379 VanDerWaalsContact O-CB 3.29Å; L376-L379 WeakPolarHBondContact O-CB 3.48Å; L376-L379 PolarHBondContact O-N 2.82Å; L379-L381 VanDerWaalsContact C-N 3.31Å; L379-L381 PolarHBondContact O-N 3.41Å; L379-L382 PolarHBondContact O-N 2.89Å; L379-S383 PolarHBondContact O-N 2.8Å; L379-H391 HydrophobicContact CD1-CB 3.56Å
380	S	87.4	Confident	83.7	Confident	91 Å²	91	58.2 Å²	58.2	64%	0.636	32%	0.322	S	S	*	.	H	α-helix	trans	-65.3	-32.7	176.2	54.1	0	0	0	0	113	H378	H378-S380 VanDerWaalsContact C-N 3.28Å; H378-S380 PolarHBondContact O-N 3.3Å
381	L	87.9	Confident	83.9	Confident	107 Å²	107	54 Å²	54	56%	0.56	30%	0.304	S	S	*	.	H	α-helix	trans	-76.6	-39.3	176.9	-67.4	161.9	0	0	0	111.5	H378 L379 V455	H378-L381 WeakPolarHBondContact O-CB 3.38Å; H378-L381 PolarHBondContact O-N 3.24Å; L379-L381 VanDerWaalsContact C-N 3.31Å; L379-L381 PolarHBondContact O-N 3.41Å; L381-V455 HydrophobicContact CB-CG1 4.3Å
382	L	86.2	Confident	84.2	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-68.7	-31.5	-178.9	-74.7	164.1	0	0	0	113.3	Y375 H378 L379 W444 V455 L458 M462	Y375-L382 HydrophobicContact CD1-CD1 4.26Å; Y375-L382 HydrophobicContact CD2-CD1 4.22Å; Y375-L382 HydrophobicContact CE1-CD1 3.81Å; Y375-L382 HydrophobicContact CE2-CD1 3.76Å; Y375-L382 HydrophobicContact CG-CD1 4.45Å; H378-L382 HydrophobicContact CB-CD1 4.47Å; H378-L382 WeakPolarHBondContact O-CG 3.47Å; H378-L382 PolarHBondContact O-N 2.85Å; L379-L382 PolarHBondContact O-N 2.89Å; L382-W444 HydrophobicContact CD1-CZ3 4.36Å; L382-V455 HydrophobicContact CD2-CB 4.35Å; L382-V455 HydrophobicContact CD2-CG1 4.14Å; L382-V455 HydrophobicContact CD2-CG2 4.29Å; L382-V455 HydrophobicContact CG-CG1 4.48Å; L382-L458 HydrophobicContact CD2-CB 3.81Å; L382-L458 HydrophobicContact CD2-CD1 4.14Å; L382-M462 WeakPolarHBondContact O-CE 3.32Å
383	S	79.2	Confident	84.4	Confident	15 Å²	15	54.1 Å²	54.1	11%	0.105	30%	0.304	C	S	.	.			trans	-141	75.7	-176.5	176.7	0	0	0	0	112.7	L379 K385 A386 H391	L379-S383 PolarHBondContact O-N 2.8Å; S383-K385 PolarHBondContact O-N 2.76Å; S383-A386 WeakPolarHBondContact OG-CA 3.42Å; S383-H391 VanDerWaalsContact CB-NE2 3.26Å; S383-H391 WeakPolarHBondContact CB-NE2 3.41Å
384	P	63.3	Low	84.5	Confident	110 Å²	110	51 Å²	51	71%	0.714	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-25.4	176.7	24	-32.5	0	0	0	113
385	K	63.4	Low	84.5	Confident	187 Å²	187	52.6 Å²	52.6	81%	0.813	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	63.2	178	-64.3	-177.1	-177.8	176.7	0	111.6	S383 A387	S383-K385 PolarHBondContact O-N 2.76Å; K385-A387 PolarHBondContact O-N 2.79Å
386	A	61.1	Low	84.1	Confident	66 Å²	66	54.1 Å²	54.1	55%	0.545	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-8.7	-167.9	0	0	0	0	0	118.1	S383 L388 V389	S383-A386 WeakPolarHBondContact OG-CA 3.42Å; A386-L388 VanDerWaalsContact C-N 3.33Å; A386-L388 PolarHBondContact O-N 3.45Å; A386-V389 VanDerWaalsContact O-O 3.11Å
387	A	66.6	Low	83.7	Confident	92 Å²	92	56.5 Å²	56.5	76%	0.76	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-35.7	-170.4	0	0	0	0	0	114	K385	K385-A387 PolarHBondContact O-N 2.79Å
388	L	77.3	Confident	83.5	Confident	65 Å²	65	50.9 Å²	50.9	34%	0.34	30%	0.296	S	S	.	.	S	Bend	trans	-107.9	-6.3	-174.5	-65.5	176.1	0	0	0	114.2	M353 K355 L356 A386	M353-L388 HydrophobicContact SD-CD2 4.16Å; K355-L388 CarbonylContact C-O 3.6Å; K355-L388 WeakPolarHBondContact CA-O 3.31Å; K355-L388 WeakPolarHBondContact CG-O 3.26Å; L356-L388 PolarHBondContact N-O 3.18Å; A386-L388 VanDerWaalsContact C-N 3.33Å; A386-L388 PolarHBondContact O-N 3.45Å
389	V	87.3	Confident	83.4	Confident	14 Å²	14	49 Å²	49	9%	0.085	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	130.5	-179.9	-173.1	0	0	0	0	109.6	L356 V358 A386 H391 M462	L356-V389 HydrophobicContact CB-CG2 4.47Å; L356-V389 HydrophobicContact CD2-CG2 4.42Å; L356-V389 CarbonylContact O-C 3.53Å; L356-V389 WeakPolarHBondContact O-CA 3.46Å; V358-V389 HydrophobicContact CG2-CG1 3.68Å; A386-V389 VanDerWaalsContact O-O 3.11Å; V389-H391 WeakPolarHBondContact CG1-NE2 3.4Å; V389-M462 HydrophobicContact CB-CE 4.47Å; V389-M462 HydrophobicContact CG1-CE 3.71Å; V389-M462 HydrophobicContact CG2-CE 4.36Å
390	S	90.4	Very high	83.2	Confident	23 Å²	23	48.6 Å²	48.6	16%	0.161	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	129.6	169.7	-79.5	0	0	0	0	111.7	K355 L356 C357 V358	K355-S390 WeakPolarHBondContact CE-OG 3.15Å; K355-S390 PolarHBondContact NZ-OG 3.28Å; L356-S390 PolarHBondContact O-N 2.87Å; C357-S390 CarbonylContact C-O 3.58Å; C357-S390 WeakPolarHBondContact CA-O 3.41Å; V358-S390 PolarHBondContact N-O 2.87Å
391	H	93.8	Very high	83.2	Confident	13 Å²	13	47.4 Å²	47.4	6%	0.06	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.5	179	-62.2	-99	0	0	0	108.8	F331 P332 V358 Y375 L379 S383 V389	F331-H391 HydrophobicContact CD2-CB 3.83Å; F331-H391 HydrophobicContact CE2-CB 3.92Å; P332-H391 WeakPolarHBondContact CD-O 3.24Å; V358-H391 WeakPolarHBondContact O-CA 3.41Å; Y375-H391 HydrophobicContact CE1-CB 4.09Å; Y375-H391 AromaticContact CE1-ND1 3.6Å; Y375-H391 AromaticContact CZ-ND1 3.61Å; Y375-H391 PolarHBondContact OH-CE1 3.35Å; Y375-H391 PolarHBondContact OH-ND1 3.14Å; L379-H391 HydrophobicContact CD1-CB 3.56Å; S383-H391 VanDerWaalsContact CB-NE2 3.26Å; S383-H391 WeakPolarHBondContact CB-NE2 3.41Å; V389-H391 WeakPolarHBondContact CG1-NE2 3.4Å
392	C	95.4	Very high	83.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	167.4	174.6	55.9	0	0	0	0	109.9	F331 P332 L334 I343 V358 L359 L360	F331-C392 WeakPolarHBondContact CE2-O 3.31Å; P332-C392 HydrophobicContact CG-CB 4.4Å; P332-C392 WeakPolarHBondContact O-CA 3.3Å; P332-C392 WeakPolarHBondContact O-CB 3.5Å; L334-C392 HydrophobicContact CD2-CB 4Å; L334-C392 HydrophobicContact CG-CB 4.15Å; I343-C392 HydrophobicContact CG2-CB 4.18Å; V358-C392 PolarHBondContact O-N 2.98Å; V358-C392 VanDerWaalsContact O-O 3.1Å; L359-C392 CarbonylContact C-O 3.48Å; L359-C392 WeakPolarHBondContact CA-O 3.03Å; L360-C392 PolarHBondContact N-O 2.98Å
393	Y	94.8	Very high	83.3	Confident	21 Å²	21	42.7 Å²	42.7	8%	0.082	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	159	174.7	70.8	-85.9	0	0	0	111.6	F331 P332 R333 L334 L360 I372 Y395	F331-Y393 AromaticContact CD1-CD1 3.82Å; F331-Y393 HydrophobicContact CD1-CD1 3.82Å; F331-Y393 HydrophobicContact CD1-CE1 4.39Å; F331-Y393 AromaticContact CE1-CD1 3.76Å; F331-Y393 HydrophobicContact CE1-CD1 3.76Å; F331-Y393 HydrophobicContact CE1-CG 4.23Å; F331-Y393 HydrophobicContact CE2-CD1 4.49Å; F331-Y393 HydrophobicContact CG-CD1 4.23Å; F331-Y393 HydrophobicContact CZ-CD1 4.11Å; F331-Y393 HydrophobicContact CZ-CG 4.38Å; F331-Y393 VanDerWaalsContact O-CE1 3.32Å; F331-Y393 WeakPolarHBondContact O-CE1 3.42Å; P332-Y393 PolarHBondContact O-N 2.77Å; P332-Y393 VanDerWaalsContact O-N 3.13Å; R333-Y393 CarbonylContact C-O 3.57Å; R333-Y393 WeakPolarHBondContact CA-O 3.38Å; R333-Y393 HydrophobicContact CB-CD2 4.43Å; R333-Y393 HydrophobicContact CB-CE1 3.94Å; R333-Y393 HydrophobicContact CB-CE2 3.82Å; R333-Y393 HydrophobicContact CG-CD2 4.15Å; R333-Y393 HydrophobicContact CG-CE2 3.67Å; L334-Y393 PolarHBondContact N-O 2.85Å; L360-Y393 CarbonylContact O-C 3.56Å; L360-Y393 WeakPolarHBondContact O-CA 3.35Å; L360-Y393 WeakPolarHBondContact O-CB 3.42Å; I372-Y393 HydrophobicContact CD1-CD2 3.83Å; I372-Y393 HydrophobicContact CD1-CE2 3.88Å; I372-Y393 HydrophobicContact CD1-CG 4.38Å; I372-Y393 HydrophobicContact CG1-CD2 4.38Å; I372-Y393 HydrophobicContact CG1-CG 4.47Å; I372-Y393 HydrophobicContact CG2-CD1 4.32Å; I372-Y393 HydrophobicContact CG2-CE1 4.21Å; Y393-Y395 HydrophobicContact CD2-CE1 4.37Å; Y393-Y395 AromaticContact CE2-CE1 3.99Å; Y393-Y395 HydrophobicContact CE2-CE1 3.99Å; Y393-Y395 HydrophobicContact CE2-CE2 4.15Å; Y393-Y395 AromaticContact CE2-CZ 3.71Å
394	V	92.8	Very high	83.7	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	133.7	-176.7	-170.8	0	0	0	0	109.5	L334 L359 L360 L361 A362 Q399 F402 L403	L334-V394 HydrophobicContact CB-CG2 3.87Å; L334-V394 HydrophobicContact CD1-CG2 3.69Å; L334-V394 HydrophobicContact CG-CG2 3.88Å; L359-V394 HydrophobicContact CD2-CG2 4.01Å; L360-V394 PolarHBondContact O-N 3.1Å; L361-V394 HydrophobicContact CD2-CB 4.33Å; A362-V394 PolarHBondContact N-O 3.15Å; V394-Q399 HydrophobicContact CG1-CB 3.57Å; V394-Q399 HydrophobicContact CG1-CG 3.75Å; V394-F402 HydrophobicContact CG1-CD1 4.49Å; V394-L403 HydrophobicContact CB-CD2 4.45Å; V394-L403 HydrophobicContact CG1-CD2 4.12Å; V394-L403 HydrophobicContact CG1-CG 4.48Å
395	Y	90.6	Very high	84.7	Confident	34 Å²	34	45.7 Å²	45.7	13%	0.133	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	122.5	171	-69.8	-45.9	0	0	0	111	A362 S363 R364 I372 Y393 E397 T398 Q399	A362-Y395 HydrophobicContact CB-CD1 4.34Å; A362-Y395 HydrophobicContact CB-CE1 4.44Å; A362-Y395 CarbonylContact O-C 3.52Å; A362-Y395 VanDerWaalsContact O-CA 3.29Å; A362-Y395 WeakPolarHBondContact O-CA 3.44Å; S363-Y395 WeakPolarHBondContact O-CD1 3.15Å; S363-Y395 VanDerWaalsContact O-CE1 3.29Å; S363-Y395 WeakPolarHBondContact O-CE1 2.89Å; R364-Y395 HydrophobicContact CG-CD1 3.85Å; R364-Y395 HydrophobicContact CG-CD2 3.9Å; R364-Y395 HydrophobicContact CG-CE1 3.98Å; R364-Y395 HydrophobicContact CG-CE2 4Å; R364-Y395 HydrophobicContact CG-CG 3.84Å; I372-Y395 HydrophobicContact CD1-CE1 4.15Å; Y393-Y395 HydrophobicContact CD2-CE1 4.37Å; Y393-Y395 AromaticContact CE2-CE1 3.99Å; Y393-Y395 HydrophobicContact CE2-CE1 3.99Å; Y393-Y395 HydrophobicContact CE2-CE2 4.15Å; Y393-Y395 AromaticContact CE2-CZ 3.71Å; Y395-E397 VanDerWaalsContact C-N 3.26Å; Y395-E397 PolarHBondContact O-N 2.82Å; Y395-T398 WeakPolarHBondContact CB-OG1 3.48Å; Y395-T398 PolarHBondContact O-N 3.34Å; Y395-T398 PolarHBondContact O-OG1 3.04Å; Y395-Q399 PolarHBondContact O-N 2.85Å; Y395-Q399 VanDerWaalsContact O-N 3.08Å
396	S	84.7	Confident	85.5	Confident	34 Å²	34	37.1 Å²	37.1	24%	0.238	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-31.7	-178.2	59.7	0	0	0	0	113.6	A362 G400	A362-S396 PolarHBondContact O-N 3.38Å; A362-S396 PolarHBondContact O-OG 3.03Å; S396-G400 WeakPolarHBondContact O-CA 3.45Å; S396-G400 PolarHBondContact O-N 2.86Å
397	E	83.3	Confident	86.2	Confident	98 Å²	98	35.2 Å²	35.2	46%	0.458	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-37.8	-177.6	-49.9	94.9	139.9	0	0	112.2	S363 R364 Y395	S363-E397 VanDerWaalsContact CA-OE1 3.3Å; S363-E397 WeakPolarHBondContact CA-OE1 3.42Å; S363-E397 WeakPolarHBondContact CA-OE2 3.42Å; S363-E397 WeakPolarHBondContact CB-OE1 3.41Å; R364-E397 PolarHBondContact N-OE1 2.91Å; Y395-E397 VanDerWaalsContact C-N 3.26Å; Y395-E397 PolarHBondContact O-N 2.82Å
398	T	86	Confident	86.4	Confident	28 Å²	28	33.8 Å²	33.8	17%	0.172	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-33.6	-177.1	54.6	0	0	0	0	113	Y395 E484	Y395-T398 WeakPolarHBondContact CB-OG1 3.48Å; Y395-T398 PolarHBondContact O-N 3.34Å; Y395-T398 PolarHBondContact O-OG1 3.04Å; T398-E484 WeakPolarHBondContact CB-OE1 3.34Å; T398-E484 PolarHBondContact OG1-OE1 2.87Å
399	Q	90.7	Very high	85.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-109.7	27.7	-176.4	-54.8	-60.2	-27.8	0	0	112.6	V394 Y395 S401 F402 L403 L481 R482 E484	V394-Q399 HydrophobicContact CG1-CB 3.57Å; V394-Q399 HydrophobicContact CG1-CG 3.75Å; Y395-Q399 PolarHBondContact O-N 2.85Å; Y395-Q399 VanDerWaalsContact O-N 3.08Å; Q399-S401 VanDerWaalsContact C-N 3.27Å; Q399-S401 PolarHBondContact O-N 2.94Å; Q399-F402 HydrophobicContact CB-CB 4.31Å; Q399-F402 WeakPolarHBondContact O-CB 3.42Å; Q399-F402 PolarHBondContact O-N 3.36Å; Q399-L403 PolarHBondContact O-N 3.12Å; Q399-L481 HydrophobicContact CG-CD2 4.38Å; Q399-R482 PolarHBondContact NE2-O 3.18Å; Q399-E484 PolarHBondContact NE2-OE1 3.37Å; Q399-E484 VanDerWaalsContact NE2-OE1 3.09Å
400	G	85.7	Confident	85	Confident	20 Å²	20	36.8 Å²	36.8	21%	0.206	22%	0.216	C	C	.	.	H	α-helix	trans	-55.3	-37.7	-176.9	0	0	0	0	0	114	S396 F402 L403 R404	S396-G400 WeakPolarHBondContact O-CA 3.45Å; S396-G400 PolarHBondContact O-N 2.86Å; G400-F402 VanDerWaalsContact C-N 3.32Å; G400-F402 PolarHBondContact O-N 3.44Å; G400-L403 PolarHBondContact O-N 3.26Å; G400-R404 VanDerWaalsContact O-CG 3.31Å; G400-R404 WeakPolarHBondContact O-CG 3.48Å; G400-R404 PolarHBondContact O-N 3.5Å
401	S	86.5	Confident	84	Confident	67 Å²	67	36.7 Å²	36.7	47%	0.469	21%	0.214	S	C	.	.	H	α-helix	trans	-62.3	-37.3	175.6	55.4	0	0	0	0	113.1	Q399	Q399-S401 VanDerWaalsContact C-N 3.27Å; Q399-S401 PolarHBondContact O-N 2.94Å
402	F	90.6	Very high	82.8	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.8	-47.1	175.1	171.9	-106.4	0	0	0	110.7	L334 F340 L359 V394 Q399 G400 R404 S405 F406 L478 A479 L481	L334-F402 HydrophobicContact CD1-CE1 4.44Å; F340-F402 HydrophobicContact CE1-CE2 4.02Å; F340-F402 HydrophobicContact CE1-CZ 4.4Å; F340-F402 HydrophobicContact CE2-CZ 4.2Å; F340-F402 HydrophobicContact CZ-CE2 4.08Å; F340-F402 HydrophobicContact CZ-CZ 4.05Å; L359-F402 HydrophobicContact CD2-CE1 4.11Å; L359-F402 HydrophobicContact CD2-CZ 4.36Å; V394-F402 HydrophobicContact CG1-CD1 4.49Å; Q399-F402 HydrophobicContact CB-CB 4.31Å; Q399-F402 WeakPolarHBondContact O-CB 3.42Å; Q399-F402 PolarHBondContact O-N 3.36Å; G400-F402 VanDerWaalsContact C-N 3.32Å; G400-F402 PolarHBondContact O-N 3.44Å; F402-R404 VanDerWaalsContact C-N 3.33Å; F402-R404 PolarHBondContact O-N 3.43Å; F402-S405 WeakPolarHBondContact O-CB 3.45Å; F402-S405 PolarHBondContact O-N 2.84Å; F402-S405 PolarHBondContact O-OG 3.49Å; F402-F406 HydrophobicContact CD1-CE2 4.14Å; F402-F406 HydrophobicContact CD2-CE2 4.47Å; F402-F406 AromaticContact CE1-CE2 3.63Å; F402-F406 HydrophobicContact CE1-CE2 3.63Å; F402-F406 HydrophobicContact CE1-CZ 4.29Å; F402-F406 HydrophobicContact CE2-CE2 4Å; F402-F406 HydrophobicContact CE2-CZ 4.15Å; F402-F406 AromaticContact CZ-CE2 3.56Å; F402-F406 HydrophobicContact CZ-CE2 3.56Å; F402-F406 AromaticContact CZ-CZ 3.78Å; F402-F406 HydrophobicContact CZ-CZ 3.78Å; F402-L478 HydrophobicContact CE2-CB 4.4Å; F402-L478 HydrophobicContact CE2-CD1 4.39Å; F402-L478 HydrophobicContact CE2-CD2 4.49Å; F402-A479 WeakPolarHBondContact CD2-O 3.43Å; F402-L481 HydrophobicContact CB-CG 4.26Å; F402-L481 HydrophobicContact CD1-CD2 4.33Å; F402-L481 HydrophobicContact CD1-CG 4.34Å; F402-L481 HydrophobicContact CD2-CD1 3.71Å; F402-L481 HydrophobicContact CD2-CG 3.92Å; F402-L481 HydrophobicContact CE2-CD1 3.7Å; F402-L481 HydrophobicContact CE2-CG 4.31Å; F402-L481 HydrophobicContact CG-CD1 4.21Å; F402-L481 HydrophobicContact CG-CD2 4.4Å; F402-L481 HydrophobicContact CG-CG 3.93Å; F402-L481 HydrophobicContact CZ-CD1 4.2Å
403	L	86.7	Confident	81.5	Confident	9 Å²	9	47.3 Å²	47.3	5%	0.047	26%	0.261	C	S	.	.	H	α-helix	trans	-64.6	-33.9	-178.1	-64.2	-171.3	0	0	0	113.9	L361 V394 Q399 G400 S405 F406 M407	L361-L403 HydrophobicContact CD2-CD1 4.14Å; L361-L403 HydrophobicContact CD2-CD2 3.47Å; L361-L403 VanDerWaalsContact CD2-CD2 3.47Å; L361-L403 HydrophobicContact CD2-CG 4.49Å; V394-L403 HydrophobicContact CB-CD2 4.45Å; V394-L403 HydrophobicContact CG1-CD2 4.12Å; V394-L403 HydrophobicContact CG1-CG 4.48Å; Q399-L403 PolarHBondContact O-N 3.12Å; G400-L403 PolarHBondContact O-N 3.26Å; L403-S405 PolarHBondContact O-N 3.44Å; L403-F406 PolarHBondContact O-N 3.17Å; L403-M407 HydrophobicContact CB-SD 4.34Å; L403-M407 PolarHBondContact O-N 3.34Å
404	R	86.1	Confident	80.2	Confident	161 Å²	161	51.5 Å²	51.5	61%	0.608	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-15	172.2	-74.9	176.1	-173.9	164.7	4.9	113.9	G400 F402 F406 E412	G400-R404 VanDerWaalsContact O-CG 3.31Å; G400-R404 WeakPolarHBondContact O-CG 3.48Å; G400-R404 PolarHBondContact O-N 3.5Å; F402-R404 VanDerWaalsContact C-N 3.33Å; F402-R404 PolarHBondContact O-N 3.43Å; R404-F406 VanDerWaalsContact C-N 3.25Å; R404-F406 PolarHBondContact O-N 3.25Å; R404-E412 IonicContact NE-OE1 3.25Å; R404-E412 IonicContact NH2-OE1 2.59Å
405	S	86	Confident	78.8	Confident	27 Å²	27	53.9 Å²	53.9	19%	0.189	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-27	172.5	-47.2	0	0	0	0	112.3	F402 L403 A476 A479	F402-S405 WeakPolarHBondContact O-CB 3.45Å; F402-S405 PolarHBondContact O-N 2.84Å; F402-S405 PolarHBondContact O-OG 3.49Å; L403-S405 PolarHBondContact O-N 3.44Å; S405-A476 WeakPolarHBondContact O-CB 3.44Å; S405-A479 PolarHBondContact OG-N 2.8Å; S405-A479 VanDerWaalsContact OG-N 3.07Å
406	F	78.6	Confident	77.4	Confident	7 Å²	7	59 Å²	59	3%	0.031	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-29.8	-176.4	-54	-71.2	0	0	0	112.9	F402 L403 R404 L427 F437 I439 A476 L478	F402-F406 HydrophobicContact CD1-CE2 4.14Å; F402-F406 HydrophobicContact CD2-CE2 4.47Å; F402-F406 AromaticContact CE1-CE2 3.63Å; F402-F406 HydrophobicContact CE1-CE2 3.63Å; F402-F406 HydrophobicContact CE1-CZ 4.29Å; F402-F406 HydrophobicContact CE2-CE2 4Å; F402-F406 HydrophobicContact CE2-CZ 4.15Å; F402-F406 AromaticContact CZ-CE2 3.56Å; F402-F406 HydrophobicContact CZ-CE2 3.56Å; F402-F406 AromaticContact CZ-CZ 3.78Å; F402-F406 HydrophobicContact CZ-CZ 3.78Å; L403-F406 PolarHBondContact O-N 3.17Å; R404-F406 VanDerWaalsContact C-N 3.25Å; R404-F406 PolarHBondContact O-N 3.25Å; F406-L427 HydrophobicContact CD1-CD1 4.49Å; F406-L427 HydrophobicContact CE1-CD1 3.42Å; F406-L427 VanDerWaalsContact CE1-CD1 3.42Å; F406-L427 HydrophobicContact CZ-CD1 3.82Å; F406-L427 HydrophobicContact CZ-CD2 4.37Å; F406-F437 HydrophobicContact CB-CD2 4.02Å; F406-F437 HydrophobicContact CB-CE2 3.74Å; F406-F437 HydrophobicContact CB-CZ 4.11Å; F406-F437 HydrophobicContact CD1-CB 4Å; F406-F437 AromaticContact CD1-CD1 3.72Å; F406-F437 HydrophobicContact CD1-CD1 3.72Å; F406-F437 AromaticContact CD1-CD2 3.77Å; F406-F437 HydrophobicContact CD1-CD2 3.77Å; F406-F437 HydrophobicContact CD1-CE1 4.1Å; F406-F437 HydrophobicContact CD1-CE2 4.14Å; F406-F437 AromaticContact CD1-CG 3.54Å; F406-F437 HydrophobicContact CD1-CG 3.54Å; F406-F437 HydrophobicContact CD1-CZ 4.28Å; F406-F437 HydrophobicContact CE1-CB 4.2Å; F406-F437 HydrophobicContact CE1-CD1 4.32Å; F406-F437 HydrophobicContact CE1-CG 4.18Å; F406-F437 HydrophobicContact CG-CD2 4.33Å; F406-F437 HydrophobicContact CG-CE2 4.45Å; F406-F437 WeakPolarHBondContact O-CE2 3.4Å; F406-F437 WeakPolarHBondContact O-CZ 2.79Å; F406-I439 HydrophobicContact CB-CD1 4.49Å; F406-I439 WeakPolarHBondContact O-CD1 3.34Å; F406-A476 HydrophobicContact CD1-CB 4.06Å; F406-A476 HydrophobicContact CE1-CB 4.3Å; F406-L478 HydrophobicContact CD1-CD2 4.22Å; F406-L478 HydrophobicContact CE1-CD2 3.26Å; F406-L478 HydrophobicContact CE2-CD2 4.08Å; F406-L478 HydrophobicContact CZ-CD2 3.18Å; F406-L478 HydrophobicContact CZ-CG 4.45Å
407	M	76.6	Confident	76.3	Confident	26 Å²	26	60.2 Å²	60.2	13%	0.128	33%	0.329	C	S	.	.			trans	-104.7	142.4	-163.7	-63.2	-177.4	73.7	0	0	112.2	L361 L403 D411 M415 I439	L361-M407 HydrophobicContact CD1-SD 4.11Å; L403-M407 HydrophobicContact CB-SD 4.34Å; L403-M407 PolarHBondContact O-N 3.34Å; M407-D411 HydrophobicContact CB-CB 4.15Å; M407-D411 VanDerWaalsContact CE-C 3.46Å; M407-D411 HydrophobicContact CE-CB 3.7Å; M407-D411 WeakPolarHBondContact CE-O 3.19Å; M407-D411 HydrophobicContact CG-CB 4.48Å; M407-M415 HydrophobicContact CE-CB 4.21Å; M407-M415 HydrophobicContact CE-CG 3.77Å; M407-M415 HydrophobicContact CE-SD 3.59Å; M407-M415 VanDerWaalsContact CE-SD 3.59Å; M407-M415 HydrophobicContact SD-SD 3.92Å; M407-I439 HydrophobicContact CG-CD1 4.32Å
408	T	71.6	Confident	75.1	Confident	62 Å²	62	58.7 Å²	58.7	38%	0.38	34%	0.34	S	S	.	.			trans	-83.8	163.5	164.7	66.4	0	0	0	0	110.4	A410 D411 E412	T408-A410 PolarHBondContact O-N 2.93Å; T408-A410 VanDerWaalsContact O-N 3.15Å; T408-D411 WeakPolarHBondContact CB-OD2 3.31Å; T408-D411 PolarHBondContact N-OD2 2.54Å; T408-D411 WeakPolarHBondContact O-CB 2.99Å; T408-D411 PolarHBondContact O-N 2.82Å; T408-D411 PolarHBondContact OG1-N 2.78Å; T408-D411 PolarHBondContact OG1-OD2 2.95Å; T408-E412 PolarHBondContact O-N 3.13Å; T408-E412 VanDerWaalsContact O-N 3.07Å
409	A	67	Low	74	Confident	82 Å²	82	62.4 Å²	62.4	68%	0.678	35%	0.35	S	S	*	.	H	α-helix	trans	-57.3	-29.5	176	0	0	0	0	0	113	K413	A409-K413 PolarHBondContact O-N 2.69Å
410	A	67.4	Low	72.8	Confident	60 Å²	60	65.2 Å²	65.2	50%	0.496	37%	0.365	S	S	.	.	H	α-helix	trans	-70	-38.4	175.3	0	0	0	0	0	112.4	T408 K414	T408-A410 PolarHBondContact O-N 2.93Å; T408-A410 VanDerWaalsContact O-N 3.15Å; A410-K414 PolarHBondContact O-N 2.78Å; A410-K414 VanDerWaalsContact O-N 3.16Å
411	D	69.7	Low	71.8	Confident	21 Å²	21	68.1 Å²	68.1	11%	0.112	37%	0.372	C	S	.	.	H	α-helix	trans	-67.8	-40.6	176.8	-56.6	-43.5	0	0	0	110.6	M407 T408 K413 K414 M415 R474	M407-D411 HydrophobicContact CB-CB 4.15Å; M407-D411 VanDerWaalsContact CE-C 3.46Å; M407-D411 HydrophobicContact CE-CB 3.7Å; M407-D411 WeakPolarHBondContact CE-O 3.19Å; M407-D411 HydrophobicContact CG-CB 4.48Å; T408-D411 WeakPolarHBondContact CB-OD2 3.31Å; T408-D411 PolarHBondContact N-OD2 2.54Å; T408-D411 WeakPolarHBondContact O-CB 2.99Å; T408-D411 PolarHBondContact O-N 2.82Å; T408-D411 PolarHBondContact OG1-N 2.78Å; T408-D411 PolarHBondContact OG1-OD2 2.95Å; D411-K413 PolarHBondContact O-N 3.04Å; D411-K414 PolarHBondContact O-N 2.82Å; D411-M415 PolarHBondContact O-N 3.39Å; D411-R474 IonicContact OD2-NH1 2.6Å
412	E	68.4	Low	71.6	Confident	69 Å²	69	66.1 Å²	66.1	32%	0.322	36%	0.355	S	S	.	.	H	α-helix	trans	-61.1	-43.1	177.1	-167	172.8	-169.2	0	0	111	R404 T408 K414 M415 L416	R404-E412 IonicContact NE-OE1 3.25Å; R404-E412 IonicContact NH2-OE1 2.59Å; T408-E412 PolarHBondContact O-N 3.13Å; T408-E412 VanDerWaalsContact O-N 3.07Å; E412-K414 PolarHBondContact O-N 2.88Å; E412-M415 PolarHBondContact O-N 3.03Å; E412-L416 PolarHBondContact O-N 2.72Å; E412-L416 VanDerWaalsContact O-N 3.12Å
413	K	68.9	Low	71.4	Confident	168 Å²	168	66.6 Å²	66.6	73%	0.73	36%	0.358	S	S	*	.	H	α-helix	trans	-63.2	-38.1	175	-168.2	178.1	-177.8	-179.8	0	112.6	A409 D411	A409-K413 PolarHBondContact O-N 2.69Å; D411-K413 PolarHBondContact O-N 3.04Å
414	K	66.4	Low	71.6	Confident	109 Å²	109	66.2 Å²	66.2	47%	0.474	36%	0.356	S	S	.	.	H	α-helix	trans	-68.4	-36.5	175.4	-74.8	179.9	-178.9	179.2	0	112	A410 D411 E412 S417	A410-K414 PolarHBondContact O-N 2.78Å; A410-K414 VanDerWaalsContact O-N 3.16Å; D411-K414 PolarHBondContact O-N 2.82Å; E412-K414 PolarHBondContact O-N 2.88Å; K414-S417 VanDerWaalsContact O-CB 3.3Å; K414-S417 WeakPolarHBondContact O-CB 3.35Å; K414-S417 PolarHBondContact O-N 2.74Å; K414-S417 PolarHBondContact O-OG 3Å
415	M	62.7	Low	71.9	Confident	49 Å²	49	58.6 Å²	58.6	24%	0.241	33%	0.328	C	S	.	.	H	α-helix	trans	-64.6	-41.5	175.6	-103.1	-160.2	74.5	0	0	112.7	L361 M407 D411 E412 S417	L361-M415 HydrophobicContact CB-CE 3.88Å; L361-M415 HydrophobicContact CB-SD 4.05Å; L361-M415 HydrophobicContact CD1-SD 3.62Å; M407-M415 HydrophobicContact CE-CB 4.21Å; M407-M415 HydrophobicContact CE-CG 3.77Å; M407-M415 HydrophobicContact CE-SD 3.59Å; M407-M415 VanDerWaalsContact CE-SD 3.59Å; M407-M415 HydrophobicContact SD-SD 3.92Å; D411-M415 PolarHBondContact O-N 3.39Å; E412-M415 PolarHBondContact O-N 3.03Å; M415-S417 PolarHBondContact O-N 2.88Å; M415-S417 VanDerWaalsContact O-N 3.13Å
416	L	61.3	Low	72.2	Confident	141 Å²	141	57.3 Å²	57.3	74%	0.738	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-6.7	178	-72.1	161.7	0	0	0	113.5	E412 G418	E412-L416 PolarHBondContact O-N 2.72Å; E412-L416 VanDerWaalsContact O-N 3.12Å; L416-G418 PolarHBondContact O-N 2.97Å
417	S	61.7	Low	72.8	Confident	60 Å²	60	57 Å²	57	42%	0.42	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	8.7	-175.3	69	0	0	0	0	115.5	K414 M415 R419	K414-S417 VanDerWaalsContact O-CB 3.3Å; K414-S417 WeakPolarHBondContact O-CB 3.35Å; K414-S417 PolarHBondContact O-N 2.74Å; K414-S417 PolarHBondContact O-OG 3Å; M415-S417 PolarHBondContact O-N 2.88Å; M415-S417 VanDerWaalsContact O-N 3.13Å; S417-R419 PolarHBondContact O-N 3.17Å; S417-R419 PolarHBondContact OG-NE 2.88Å
418	G	57.9	Low	73.4	Confident	67 Å²	67	56.5 Å²	56.5	69%	0.691	32%	0.315	S	S	*	.			trans	62.3	12.9	174.5	0	0	0	0	0	114.4	L416	L416-G418 PolarHBondContact O-N 2.97Å
419	R	63.6	Low	74.2	Confident	105 Å²	105	54 Å²	54	40%	0.396	30%	0.298	S	S	.	.			trans	-68.4	145.4	179.5	-73.5	-167.8	-88.6	158.9	1.7	110.6	S417 F421 D442	S417-R419 PolarHBondContact O-N 3.17Å; S417-R419 PolarHBondContact OG-NE 2.88Å; R419-F421 PolarHBondContact O-N 3.35Å; R419-D442 IonicContact CZ-OD2 3.65Å; R419-D442 IonicContact NH1-OD1 3.78Å; R419-D442 IonicContact NH1-OD2 2.93Å; R419-D442 PolarHBondContact NH1-OD2 3.37Å
420	D	64.6	Low	75.1	Confident	59 Å²	59	54.5 Å²	54.5	32%	0.316	29%	0.286	S	S	.	.	S	Bend	trans	-70.1	-20.2	177.7	-68.7	-43.5	0	0	0	113	Q371 R447	Q371-D420 PolarHBondContact NE2-O 3.24Å; Q371-D420 VanDerWaalsContact NE2-O 3.08Å; D420-R447 IonicContact OD2-CZ 3.94Å; D420-R447 VanDerWaalsContact OD2-CZ 3.25Å; D420-R447 IonicContact OD2-NE 2.72Å; D420-R447 PolarHBondContact OD2-NE 3.12Å; D420-R447 IonicContact OD2-NH2 3.34Å; D420-R447 PolarHBondContact OD2-NH2 2.97Å
421	F	66	Low	75.9	Confident	81 Å²	81	52.4 Å²	52.4	36%	0.355	27%	0.271	S	S	.	.	S	Bend	trans	-75.2	138.8	174.3	-55.9	-91	0	0	0	110.8	R419 D442 N445	R419-F421 PolarHBondContact O-N 3.35Å; F421-D442 HydrophobicContact CB-CB 3.66Å; F421-D442 WeakPolarHBondContact CB-OD1 3.49Å; F421-D442 HydrophobicContact CD1-CB 4.26Å; F421-D442 HydrophobicContact CG-CB 4.08Å; F421-N445 HydrophobicContact CD1-CB 3.8Å; F421-N445 HydrophobicContact CE1-CB 4.07Å; F421-N445 WeakPolarHBondContact CE1-ND2 3.42Å
422	K	81.2	Confident	76.6	Confident	26 Å²	26	56.3 Å²	56.3	11%	0.113	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	144.8	-177.6	-61.4	-61.8	170	-174.3	0	112.8	L360 D368 Q371 A443 W444	L360-K422 HydrophobicContact CD1-CB 3.8Å; D368-K422 WeakPolarHBondContact OD1-CE 3.29Å; D368-K422 IonicContact OD1-NZ 3.8Å; D368-K422 PolarHBondContact OD1-NZ 2.96Å; D368-K422 VanDerWaalsContact OD2-CE 3.27Å; D368-K422 WeakPolarHBondContact OD2-CE 3.3Å; D368-K422 IonicContact OD2-NZ 2.72Å; D368-K422 PolarHBondContact OD2-NZ 3.37Å; Q371-K422 HydrophobicContact CB-CG 4.29Å; Q371-K422 HydrophobicContact CG-CG 4.03Å; K422-A443 PolarHBondContact O-N 2.83Å; K422-W444 HydrophobicContact CB-CB 4.37Å; K422-W444 PolarHBondContact N-O 3.37Å; K422-W444 PolarHBondContact O-N 2.95Å
423	T	87	Confident	77.5	Confident	10 Å²	10	55.2 Å²	55.2	6%	0.061	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	131.4	179.8	-61.2	0	0	0	0	109.6	L361 I439 L440 L441	L361-T423 HydrophobicContact CD1-CG2 4.01Å; L361-T423 PolarHBondContact N-O 2.91Å; T423-I439 HydrophobicContact CG2-CG2 3.49Å; T423-I439 VanDerWaalsContact CG2-CG2 3.49Å; T423-L440 WeakPolarHBondContact CA-O 3.34Å; T423-L441 HydrophobicContact CG2-CD2 4.12Å
424	V	90.7	Very high	78.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134	174.6	178	0	0	0	0	108.7	V358 L359 L360 L426 L440 A443 W444 L458	V358-V424 HydrophobicContact CG1-CG1 3.52Å; L359-V424 CarbonylContact O-C 3.57Å; L359-V424 WeakPolarHBondContact O-CA 3.34Å; L360-V424 HydrophobicContact CD1-CG2 3.97Å; V424-L426 HydrophobicContact CG1-CD2 4.41Å; V424-L440 HydrophobicContact CB-CB 4.48Å; V424-L440 PolarHBondContact N-O 3.47Å; V424-L440 PolarHBondContact O-N 3.23Å; V424-A443 HydrophobicContact CB-CB 4.39Å; V424-A443 HydrophobicContact CG2-CB 4.37Å; V424-W444 HydrophobicContact CG2-CB 3.97Å; V424-L458 HydrophobicContact CB-CD2 4.06Å; V424-L458 HydrophobicContact CG1-CD2 4Å; V424-L458 HydrophobicContact CG2-CD1 4.38Å; V424-L458 HydrophobicContact CG2-CD2 4.02Å
425	V	91.6	Very high	79.6	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.8	175.4	-176.8	0	0	0	0	108.9	L359 L361 F437 R438 I439	L359-V425 HydrophobicContact CB-CB 4.25Å; L359-V425 WeakPolarHBondContact CD1-O 3.48Å; L359-V425 PolarHBondContact N-O 3.41Å; L359-V425 PolarHBondContact O-N 2.88Å; L361-V425 HydrophobicContact CD1-CG2 3.9Å; L361-V425 HydrophobicContact CD2-CG2 4.39Å; L361-V425 HydrophobicContact CG-CG2 4.13Å; V425-F437 HydrophobicContact CG1-CB 4.15Å; V425-F437 HydrophobicContact CG1-CD2 4.31Å; V425-R438 WeakPolarHBondContact CA-O 3.36Å; V425-I439 HydrophobicContact CG2-CG1 4.28Å
426	L	92.4	Very high	80.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	127	168.6	-58	-174.6	0	0	0	108.4	L356 V358 V424 F437 R438 L440 E461 M462 A465 L472	L356-L426 HydrophobicContact CD1-CB 4.36Å; V358-L426 HydrophobicContact CB-CD2 4.41Å; V358-L426 HydrophobicContact CG1-CD2 4.13Å; V358-L426 HydrophobicContact CG2-CD2 3.89Å; V424-L426 HydrophobicContact CG1-CD2 4.41Å; L426-F437 CarbonylContact O-C 3.52Å; L426-F437 WeakPolarHBondContact O-CA 2.95Å; L426-F437 WeakPolarHBondContact O-CB 3.09Å; L426-R438 HydrophobicContact CB-CB 4.47Å; L426-R438 PolarHBondContact N-O 3.48Å; L426-R438 PolarHBondContact O-N 2.85Å; L426-L440 HydrophobicContact CD1-CD1 4.02Å; L426-L440 HydrophobicContact CG-CD1 4.07Å; L426-E461 HydrophobicContact CD1-CB 4.14Å; L426-M462 HydrophobicContact CD2-CG 4.18Å; L426-A465 HydrophobicContact CD1-CB 3.96Å; L426-L472 HydrophobicContact CB-CD2 4.11Å
427	L	91.7	Very high	82.4	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130.3	-171.1	-176.7	72.6	0	0	0	111.4	F340 C357 L359 F406 R429 A435 F437	F340-L427 HydrophobicContact CE2-CD2 3.76Å; F340-L427 HydrophobicContact CZ-CD2 3.87Å; C357-L427 HydrophobicContact CB-CB 4.16Å; C357-L427 PolarHBondContact N-O 3.41Å; C357-L427 PolarHBondContact O-N 3.41Å; L359-L427 HydrophobicContact CD1-CB 3.4Å; L359-L427 VanDerWaalsContact CD1-CB 3.4Å; L359-L427 HydrophobicContact CD1-CD2 3.8Å; L359-L427 HydrophobicContact CD1-CG 4.23Å; L359-L427 HydrophobicContact CD2-CD2 4.36Å; F406-L427 HydrophobicContact CD1-CD1 4.49Å; F406-L427 HydrophobicContact CE1-CD1 3.42Å; F406-L427 VanDerWaalsContact CE1-CD1 3.42Å; F406-L427 HydrophobicContact CZ-CD1 3.82Å; F406-L427 HydrophobicContact CZ-CD2 4.37Å; L427-R429 HydrophobicContact CD2-CG 4.26Å; L427-R429 HydrophobicContact CG-CG 4.45Å; L427-A435 HydrophobicContact CD1-CB 3.44Å; L427-A435 VanDerWaalsContact CD1-CB 3.44Å; L427-A435 HydrophobicContact CG-CB 4.26Å; L427-F437 HydrophobicContact CD1-CB 3.96Å
428	K	89.6	Confident	83.7	Confident	16 Å²	16	40.3 Å²	40.3	7%	0.07	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	114.4	168.2	-75.5	-179.2	177.9	-174.8	0	109.9	L356 A435 Q436 A465 L472	L356-K428 HydrophobicContact CD1-CG 3.98Å; K428-A435 CarbonylContact O-C 3.55Å; K428-A435 VanDerWaalsContact O-CA 3.28Å; K428-A435 WeakPolarHBondContact O-CA 3.48Å; K428-A435 WeakPolarHBondContact O-CB 3.45Å; K428-Q436 PolarHBondContact N-O 3.28Å; K428-Q436 PolarHBondContact O-N 3.49Å; K428-A465 WeakPolarHBondContact CE-O 3.17Å; K428-A465 PolarHBondContact NZ-O 3.03Å; K428-L472 HydrophobicContact CB-CD1 3.91Å; K428-L472 HydrophobicContact CD-CD1 3.99Å; K428-L472 HydrophobicContact CG-CD1 3.75Å
429	R	89	Confident	85.2	Confident	8 Å²	8	38.7 Å²	38.7	3%	0.03	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	128.3	178.5	-68	179	80.8	-178.6	3.1	111	F340 D341 C344 Q354 L427 K432 A435 L478	F340-R429 VanDerWaalsContact CZ-CD 3.42Å; F340-R429 HydrophobicContact CZ-CG 4.09Å; F340-R429 PolarHBondContact O-NH1 3.23Å; D341-R429 IonicContact OD1-CZ 3.95Å; D341-R429 VanDerWaalsContact OD1-CZ 3.29Å; D341-R429 IonicContact OD1-NH1 3.71Å; D341-R429 PolarHBondContact OD1-NH1 3.26Å; D341-R429 IonicContact OD1-NH2 3.52Å; D341-R429 PolarHBondContact OD1-NH2 3.06Å; C344-R429 WeakPolarHBondContact O-CD 3.37Å; C344-R429 PolarHBondContact O-NH1 2.85Å; Q354-R429 PolarHBondContact NE2-O 2.87Å; L427-R429 HydrophobicContact CD2-CG 4.26Å; L427-R429 HydrophobicContact CG-CG 4.45Å; R429-K432 PolarHBondContact NH2-O 3.45Å; R429-A435 HydrophobicContact CG-CB 4.17Å; R429-L478 HydrophobicContact CG-CD1 4.4Å
430	Q	84.5	Confident	86.4	Confident	93 Å²	93	34.3 Å²	34.3	44%	0.435	17%	0.165	S	C	.	.	S	Bend	trans	-99	-10.9	175.2	-62.5	-65	-17.6	0	0	111.9	Q354 K434 W475	Q354-Q430 VanDerWaalsContact NE2-CD 3.28Å; Q354-Q430 VanDerWaalsContact OE1-NE2 3.11Å; Q430-K434 PolarHBondContact N-O 3.43Å; Q430-W475 HydrophobicContact CB-CZ3 4.34Å; Q430-W475 HydrophobicContact CG-CH2 4.02Å; Q430-W475 HydrophobicContact CG-CZ3 3.83Å
431	G	85.9	Confident	87.4	Confident	16 Å²	16	34.8 Å²	34.8	17%	0.165	17%	0.167	C	C	.	.	S	Bend	trans	-175.4	-171.7	176	0	0	0	0	0	111	S433 K434	G431-S433 VanDerWaalsContact C-N 3.29Å; G431-S433 PolarHBondContact O-N 3.22Å; G431-K434 PolarHBondContact N-O 2.83Å
432	K	84.2	Confident	88.2	Confident	104 Å²	104	33.6 Å²	33.6	45%	0.452	16%	0.164	S	C	.	.	S	Bend	trans	-54	-45.3	-176.9	-167.6	-178.8	176.7	-163.3	0	112.7	Y346 R429 E480	Y346-K432 HydrophobicContact CE1-CB 4.11Å; Y346-K432 HydrophobicContact CE1-CG 4.28Å; Y346-K432 HydrophobicContact CE2-CB 4.2Å; R429-K432 PolarHBondContact NH2-O 3.45Å; K432-E480 IonicContact NZ-OE1 3.07Å; K432-E480 PolarHBondContact NZ-OE1 3.17Å
433	S	86.6	Confident	88.5	Confident	45 Å²	45	32.3 Å²	32.3	32%	0.315	16%	0.159	S	C	.	.	S	Bend	trans	-121.4	8.4	-175.5	73.3	0	0	0	0	114	G431 K477 L478	G431-S433 VanDerWaalsContact C-N 3.29Å; G431-S433 PolarHBondContact O-N 3.22Å; S433-K477 CarbonylContact O-C 3.56Å; S433-K477 WeakPolarHBondContact O-CA 3.42Å; S433-L478 PolarHBondContact O-N 3.3Å
434	K	89.4	Confident	88.6	Confident	134 Å²	134	31.9 Å²	31.9	58%	0.583	16%	0.156	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.6	-176.9	-70.2	-174.9	179	-178.5	0	109.4	Q430 G431	Q430-K434 PolarHBondContact N-O 3.43Å; G431-K434 PolarHBondContact N-O 2.83Å
435	A	90.2	Very high	88.5	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	151.4	177.2	0	0	0	0	0	112.1	L427 K428 R429 W475 A476 L478	L427-A435 HydrophobicContact CD1-CB 3.44Å; L427-A435 VanDerWaalsContact CD1-CB 3.44Å; L427-A435 HydrophobicContact CG-CB 4.26Å; K428-A435 CarbonylContact O-C 3.55Å; K428-A435 VanDerWaalsContact O-CA 3.28Å; K428-A435 WeakPolarHBondContact O-CA 3.48Å; K428-A435 WeakPolarHBondContact O-CB 3.45Å; R429-A435 HydrophobicContact CG-CB 4.17Å; A435-W475 WeakPolarHBondContact O-CA 3.14Å; A435-A476 PolarHBondContact N-O 3.26Å; A435-A476 VanDerWaalsContact N-O 3.11Å; A435-A476 PolarHBondContact O-N 3.08Å; A435-L478 HydrophobicContact CB-CD1 3.77Å; A435-L478 HydrophobicContact CB-CD2 4.2Å; A435-L478 HydrophobicContact CB-CG 4.07Å
436	Q	90.5	Very high	88.2	Confident	17 Å²	17	32 Å²	32	8%	0.079	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	142.1	165.5	-63.6	179.5	-45.2	0	0	108.9	K428 L472 R474 W475	K428-Q436 PolarHBondContact N-O 3.28Å; K428-Q436 PolarHBondContact O-N 3.49Å; Q436-L472 HydrophobicContact CB-CB 4.02Å; Q436-L472 HydrophobicContact CB-CD1 4.35Å; Q436-L472 WeakPolarHBondContact O-CD1 3.26Å; Q436-R474 CarbonylContact C-O 3.55Å; Q436-R474 WeakPolarHBondContact CA-O 3.48Å; Q436-W475 HydrophobicContact CG-CD2 3.61Å; Q436-W475 HydrophobicContact CG-CE3 3.7Å; Q436-W475 HydrophobicContact CG-CG 4.36Å; Q436-W475 HydrophobicContact CG-CH2 3.71Å; Q436-W475 HydrophobicContact CG-CZ2 3.62Å; Q436-W475 HydrophobicContact CG-CZ3 3.74Å; Q436-W475 VanDerWaalsContact NE2-CE2 3.27Å
437	F	91.3	Very high	87.6	Confident	6 Å²	6	38.7 Å²	38.7	3%	0.026	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	158.5	-177	73.7	-79.8	0	0	0	113.1	F406 V425 L426 L427 I439 R474 A476	F406-F437 HydrophobicContact CB-CD2 4.02Å; F406-F437 HydrophobicContact CB-CE2 3.74Å; F406-F437 HydrophobicContact CB-CZ 4.11Å; F406-F437 HydrophobicContact CD1-CB 4Å; F406-F437 AromaticContact CD1-CD1 3.72Å; F406-F437 HydrophobicContact CD1-CD1 3.72Å; F406-F437 AromaticContact CD1-CD2 3.77Å; F406-F437 HydrophobicContact CD1-CD2 3.77Å; F406-F437 HydrophobicContact CD1-CE1 4.1Å; F406-F437 HydrophobicContact CD1-CE2 4.14Å; F406-F437 AromaticContact CD1-CG 3.54Å; F406-F437 HydrophobicContact CD1-CG 3.54Å; F406-F437 HydrophobicContact CD1-CZ 4.28Å; F406-F437 HydrophobicContact CE1-CB 4.2Å; F406-F437 HydrophobicContact CE1-CD1 4.32Å; F406-F437 HydrophobicContact CE1-CG 4.18Å; F406-F437 HydrophobicContact CG-CD2 4.33Å; F406-F437 HydrophobicContact CG-CE2 4.45Å; F406-F437 WeakPolarHBondContact O-CE2 3.4Å; F406-F437 WeakPolarHBondContact O-CZ 2.79Å; V425-F437 HydrophobicContact CG1-CB 4.15Å; V425-F437 HydrophobicContact CG1-CD2 4.31Å; L426-F437 CarbonylContact O-C 3.52Å; L426-F437 WeakPolarHBondContact O-CA 2.95Å; L426-F437 WeakPolarHBondContact O-CB 3.09Å; L427-F437 HydrophobicContact CD1-CB 3.96Å; F437-I439 HydrophobicContact CD2-CD1 4.34Å; F437-I439 HydrophobicContact CD2-CG1 3.86Å; F437-I439 HydrophobicContact CE2-CD1 3.78Å; F437-I439 HydrophobicContact CE2-CG1 3.79Å; F437-R474 HydrophobicContact CD1-CB 3.95Å; F437-R474 HydrophobicContact CD2-CB 4.46Å; F437-R474 HydrophobicContact CE1-CB 3.45Å; F437-R474 VanDerWaalsContact CE1-CB 3.45Å; F437-R474 HydrophobicContact CE2-CB 4.02Å; F437-R474 HydrophobicContact CG-CB 4.43Å; F437-R474 HydrophobicContact CZ-CB 3.51Å; F437-R474 HydrophobicContact CZ-CG 4.29Å; F437-R474 PolarHBondContact N-O 3.49Å; F437-R474 PolarHBondContact O-N 3.25Å; F437-R474 VanDerWaalsContact O-N 3.13Å; F437-A476 HydrophobicContact CD1-CB 3.76Å; F437-A476 HydrophobicContact CE1-CB 3.48Å; F437-A476 VanDerWaalsContact CE1-CB 3.48Å; F437-A476 HydrophobicContact CZ-CB 4.44Å
438	R	90.6	Very high	86.4	Confident	57 Å²	57	45.2 Å²	45.2	22%	0.215	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	133.4	171.3	178.4	173.4	169.7	117.9	-15	108.4	V425 L426 L440 E461 Y470 L472 D473	V425-R438 WeakPolarHBondContact CA-O 3.36Å; L426-R438 HydrophobicContact CB-CB 4.47Å; L426-R438 PolarHBondContact N-O 3.48Å; L426-R438 PolarHBondContact O-N 2.85Å; R438-L440 HydrophobicContact CG-CD2 4.09Å; R438-E461 IonicContact CZ-OE2 2.94Å; R438-E461 IonicContact NE-OE2 3.57Å; R438-E461 PolarHBondContact NE-OE2 3.34Å; R438-E461 IonicContact NH2-OE1 3.47Å; R438-E461 PolarHBondContact NH2-OE1 2.85Å; R438-E461 IonicContact NH2-OE2 3.94Å; R438-E461 PolarHBondContact NH2-OE2 3.43Å; R438-Y470 PolarHBondContact NE-OH 2.87Å; R438-Y470 PolarHBondContact NH1-OH 3.42Å; R438-Y470 PolarHBondContact NH2-OH 2.83Å; R438-L472 HydrophobicContact CB-CB 4.45Å; R438-L472 HydrophobicContact CB-CD2 3.72Å; R438-D473 WeakPolarHBondContact CD-OD2 3.16Å; R438-D473 WeakPolarHBondContact CG-OD2 3.25Å; R438-D473 IonicContact CZ-OD2 3.5Å; R438-D473 IonicContact NE-OD2 2.93Å; R438-D473 IonicContact NH1-OD1 3.96Å; R438-D473 IonicContact NH1-OD2 3.78Å; R438-D473 PolarHBondContact NH1-OD2 2.87Å
439	I	89	Confident	85.5	Confident	34 Å²	34	51.1 Å²	51.1	17%	0.174	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123.4	178.5	-60.1	176.5	0	0	0	107.6	F406 M407 T423 V425 F437 L441	F406-I439 HydrophobicContact CB-CD1 4.49Å; F406-I439 WeakPolarHBondContact O-CD1 3.34Å; M407-I439 HydrophobicContact CG-CD1 4.32Å; T423-I439 HydrophobicContact CG2-CG2 3.49Å; T423-I439 VanDerWaalsContact CG2-CG2 3.49Å; V425-I439 HydrophobicContact CG2-CG1 4.28Å; F437-I439 HydrophobicContact CD2-CD1 4.34Å; F437-I439 HydrophobicContact CD2-CG1 3.86Å; F437-I439 HydrophobicContact CE2-CD1 3.78Å; F437-I439 HydrophobicContact CE2-CG1 3.79Å; I439-L441 HydrophobicContact CG2-CD2 3.83Å; I439-L441 HydrophobicContact CG2-CG 4.27Å
440	L	89.2	Confident	85	Confident	13 Å²	13	54.2 Å²	54.2	7%	0.068	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	100.2	173.1	-53.4	176.6	0	0	0	107.7	T423 V424 L426 R438 A443 L458 E461	T423-L440 WeakPolarHBondContact CA-O 3.34Å; V424-L440 HydrophobicContact CB-CB 4.48Å; V424-L440 PolarHBondContact N-O 3.47Å; V424-L440 PolarHBondContact O-N 3.23Å; L426-L440 HydrophobicContact CD1-CD1 4.02Å; L426-L440 HydrophobicContact CG-CD1 4.07Å; R438-L440 HydrophobicContact CG-CD2 4.09Å; L440-A443 HydrophobicContact CB-CB 3.47Å; L440-A443 VanDerWaalsContact CB-CB 3.47Å; L440-A443 HydrophobicContact CD1-CB 4.47Å; L440-L458 HydrophobicContact CD1-CD2 3.94Å; L440-E461 HydrophobicContact CD1-CB 3.84Å; L440-E461 HydrophobicContact CD1-CG 3.9Å; L440-E461 HydrophobicContact CD2-CG 4.13Å
441	L	84.8	Confident	85.1	Confident	69 Å²	69	50 Å²	50	36%	0.361	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	140.9	176.4	-61.9	176.2	0	0	0	109.5	T423 I439 A443	T423-L441 HydrophobicContact CG2-CD2 4.12Å; I439-L441 HydrophobicContact CG2-CD2 3.83Å; I439-L441 HydrophobicContact CG2-CG 4.27Å; L441-A443 PolarHBondContact O-N 3.32Å
442	D	83.2	Confident	85.2	Confident	55 Å²	55	54.3 Å²	54.3	29%	0.294	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.8	26.2	176.7	-56	-29	0	0	0	114.6	R419 F421	R419-D442 IonicContact CZ-OD2 3.65Å; R419-D442 IonicContact NH1-OD1 3.78Å; R419-D442 IonicContact NH1-OD2 2.93Å; R419-D442 PolarHBondContact NH1-OD2 3.37Å; F421-D442 HydrophobicContact CB-CB 3.66Å; F421-D442 WeakPolarHBondContact CB-OD1 3.49Å; F421-D442 HydrophobicContact CD1-CB 4.26Å; F421-D442 HydrophobicContact CG-CB 4.08Å
443	A	86.6	Confident	85.3	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-13.9	-171.1	0	0	0	0	0	114.9	K422 V424 L440 L441 L458	K422-A443 PolarHBondContact O-N 2.83Å; V424-A443 HydrophobicContact CB-CB 4.39Å; V424-A443 HydrophobicContact CG2-CB 4.37Å; L440-A443 HydrophobicContact CB-CB 3.47Å; L440-A443 VanDerWaalsContact CB-CB 3.47Å; L440-A443 HydrophobicContact CD1-CB 4.47Å; L441-A443 PolarHBondContact O-N 3.32Å; A443-L458 HydrophobicContact CB-CD2 3.9Å
444	W	90.6	Very high	85.5	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122.9	174.4	-179.1	-108	0	0	0	111	L360 Q371 A374 Y375 H378 L382 K422 V424 V451 V455 L458	L360-W444 HydrophobicContact CD1-CB 4.07Å; L360-W444 HydrophobicContact CD1-CG 4.17Å; Q371-W444 PolarHBondContact O-NE1 2.91Å; Q371-W444 VanDerWaalsContact O-NE1 3.14Å; Q371-W444 VanDerWaalsContact OE1-CD1 3.31Å; A374-W444 HydrophobicContact CB-CZ2 4.16Å; Y375-W444 AromaticContact CD2-CD2 3.57Å; Y375-W444 HydrophobicContact CD2-CD2 3.57Å; Y375-W444 AromaticContact CD2-CE2 3.61Å; Y375-W444 AromaticContact CD2-CE3 3.86Å; Y375-W444 HydrophobicContact CD2-CE3 3.86Å; Y375-W444 HydrophobicContact CD2-CG 4.04Å; Y375-W444 HydrophobicContact CD2-CH2 4.22Å; Y375-W444 AromaticContact CD2-CZ2 3.97Å; Y375-W444 HydrophobicContact CD2-CZ2 3.97Å; Y375-W444 HydrophobicContact CD2-CZ3 4.16Å; Y375-W444 AromaticContact CD2-NE1 4Å; Y375-W444 HydrophobicContact CE2-CD2 4.18Å; Y375-W444 HydrophobicContact CE2-CE3 4.15Å; Y375-W444 HydrophobicContact CG-CZ2 4.3Å; H378-W444 HydrophobicContact CB-CH2 4.14Å; L382-W444 HydrophobicContact CD1-CZ3 4.36Å; K422-W444 HydrophobicContact CB-CB 4.37Å; K422-W444 PolarHBondContact N-O 3.37Å; K422-W444 PolarHBondContact O-N 2.95Å; V424-W444 HydrophobicContact CG2-CB 3.97Å; W444-V451 HydrophobicContact CH2-CG1 4.25Å; W444-V455 HydrophobicContact CH2-CG2 4.35Å; W444-V455 HydrophobicContact CZ3-CG2 3.91Å; W444-L458 HydrophobicContact CB-CD1 4.46Å; W444-L458 HydrophobicContact CE3-CD1 3.68Å; W444-L458 HydrophobicContact CZ3-CD1 4.39Å
445	N	87.8	Confident	85.6	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.016	23%	0.234	C	C	.	.			trans	-135.7	115.5	172.8	-176.6	2.8	0	0	0	110.4	F421 R447 H450 V451 S454	F421-N445 HydrophobicContact CD1-CB 3.8Å; F421-N445 HydrophobicContact CE1-CB 4.07Å; F421-N445 WeakPolarHBondContact CE1-ND2 3.42Å; N445-R447 VanDerWaalsContact C-N 3.28Å; N445-R447 PolarHBondContact O-N 2.04Å; N445-R447 WeakPolarHBondContact OD1-CB 3.29Å; N445-R447 WeakPolarHBondContact OD1-CG 3.2Å; N445-R447 PolarHBondContact OD1-N 3.05Å; N445-H450 HydrophobicContact CB-CB 4.17Å; N445-H450 WeakPolarHBondContact ND2-CB 3.46Å; N445-V451 WeakPolarHBondContact O-CA 3.44Å; N445-V451 VanDerWaalsContact O-CG2 3.29Å; N445-V451 WeakPolarHBondContact O-CG2 3.29Å; N445-S454 PolarHBondContact N-OG 2.79Å
446	A	84.6	Confident	85.5	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.008	27%	0.265	C	S	.	.			trans	-75.8	-2.4	179.1	0	0	0	0	0	115.7	F370 Q371 A374 V451	F370-A446 HydrophobicContact CD1-CB 3.85Å; F370-A446 HydrophobicContact CE1-CB 3.5Å; F370-A446 VanDerWaalsContact CE1-CB 3.5Å; F370-A446 HydrophobicContact CZ-CB 4.38Å; Q371-A446 VanDerWaalsContact CD-CB 3.45Å; Q371-A446 HydrophobicContact CG-CB 4.45Å; A374-A446 HydrophobicContact CB-CB 3.37Å; A446-V451 WeakPolarHBondContact O-CG2 3.24Å
447	R	80.2	Confident	85.5	Confident	141 Å²	141	58 Å²	58	53%	0.532	28%	0.281	S	S	.	.	S	Bend	trans	-73.4	131	176.5	-67	-178.7	177.2	-160.2	-3.5	110.6	D420 N445 D449 H450 V451	D420-R447 IonicContact OD2-CZ 3.94Å; D420-R447 VanDerWaalsContact OD2-CZ 3.25Å; D420-R447 IonicContact OD2-NE 2.72Å; D420-R447 PolarHBondContact OD2-NE 3.12Å; D420-R447 IonicContact OD2-NH2 3.34Å; D420-R447 PolarHBondContact OD2-NH2 2.97Å; N445-R447 VanDerWaalsContact C-N 3.28Å; N445-R447 PolarHBondContact O-N 2.04Å; N445-R447 WeakPolarHBondContact OD1-CB 3.29Å; N445-R447 WeakPolarHBondContact OD1-CG 3.2Å; N445-R447 PolarHBondContact OD1-N 3.05Å; R447-D449 VanDerWaalsContact C-N 3.28Å; R447-D449 PolarHBondContact O-N 3Å; R447-H450 PolarHBondContact O-N 3.37Å; R447-V451 VanDerWaalsContact O-CG2 3.32Å; R447-V451 WeakPolarHBondContact O-CG2 3.26Å; R447-V451 PolarHBondContact O-N 3.41Å; R447-V451 VanDerWaalsContact O-N 3.09Å
448	D	67.4	Low	85.4	Confident	137 Å²	137	57.7 Å²	57.7	73%	0.733	28%	0.28	S	S	*	.	H	α-helix	trans	-49.8	-41.2	-167.1	-65.3	-37.9	0	0	0	114.5	H450	D448-H450 PolarHBondContact O-N 2.67Å; D448-H450 VanDerWaalsContact O-N 3.12Å
449	D	71.1	Confident	85.4	Confident	140 Å²	140	57.4 Å²	57.4	75%	0.749	29%	0.285	S	S	*	.	H	α-helix	trans	-61.7	-24.1	179.7	-58.6	-31.8	0	0	0	113.8	R447	R447-D449 VanDerWaalsContact C-N 3.28Å; R447-D449 PolarHBondContact O-N 3Å
450	H	78.7	Confident	85.4	Confident	74 Å²	74	62.7 Å²	62.7	34%	0.343	30%	0.304	S	S	.	.	H	α-helix	trans	-119.1	-8.5	-172.4	-62.5	84.1	0	0	0	114.2	N445 R447 D448 N452 Q453 S454	N445-H450 HydrophobicContact CB-CB 4.17Å; N445-H450 WeakPolarHBondContact ND2-CB 3.46Å; R447-H450 PolarHBondContact O-N 3.37Å; D448-H450 PolarHBondContact O-N 2.67Å; D448-H450 VanDerWaalsContact O-N 3.12Å; H450-N452 PolarHBondContact O-N 3.05Å; H450-Q453 PolarHBondContact O-N 3.32Å; H450-S454 PolarHBondContact O-N 3.23Å; H450-S454 PolarHBondContact O-OG 2.79Å
451	V	85.6	Confident	85.3	Confident	5 Å²	5	63.2 Å²	63.2	3%	0.03	31%	0.306	C	S	.	.	H	α-helix	trans	-59.9	-47.7	-179.1	173.8	0	0	0	0	110.4	H378 W444 N445 A446 R447 Q453 S454 V455	H378-V451 WeakPolarHBondContact NE2-CG1 3.29Å; W444-V451 HydrophobicContact CH2-CG1 4.25Å; N445-V451 WeakPolarHBondContact O-CA 3.44Å; N445-V451 VanDerWaalsContact O-CG2 3.29Å; N445-V451 WeakPolarHBondContact O-CG2 3.29Å; A446-V451 WeakPolarHBondContact O-CG2 3.24Å; R447-V451 VanDerWaalsContact O-CG2 3.32Å; R447-V451 WeakPolarHBondContact O-CG2 3.26Å; R447-V451 PolarHBondContact O-N 3.41Å; R447-V451 VanDerWaalsContact O-N 3.09Å; V451-Q453 VanDerWaalsContact C-N 3.31Å; V451-Q453 PolarHBondContact O-N 3.25Å; V451-S454 WeakPolarHBondContact O-CB 3.23Å; V451-S454 PolarHBondContact O-N 3.26Å; V451-S454 VanDerWaalsContact O-N 3.14Å; V451-V455 HydrophobicContact CG1-CG2 4.23Å; V451-V455 WeakPolarHBondContact O-CG2 3.49Å; V451-V455 PolarHBondContact O-N 2.93Å
452	N	86.9	Confident	85.4	Confident	105 Å²	105	60.3 Å²	60.3	56%	0.561	29%	0.29	S	S	*	.	H	α-helix	trans	-60.9	-41.9	-179.3	-68.5	-28.4	0	0	0	111.6	H450 V455 H456	H450-N452 PolarHBondContact O-N 3.05Å; N452-V455 PolarHBondContact O-N 3.16Å; N452-H456 PolarHBondContact O-CD2 3.47Å; N452-H456 PolarHBondContact O-N 3.31Å
453	Q	88.1	Confident	85.6	Confident	124 Å²	124	61.5 Å²	61.5	58%	0.579	30%	0.296	S	S	*	.	H	α-helix	trans	-63.2	-43.4	175.9	-63.7	177.3	0.4	0	0	111.4	H450 V451 V455 H456 Q457	H450-Q453 PolarHBondContact O-N 3.32Å; V451-Q453 VanDerWaalsContact C-N 3.31Å; V451-Q453 PolarHBondContact O-N 3.25Å; Q453-V455 PolarHBondContact O-N 2.96Å; Q453-H456 PolarHBondContact O-N 3.49Å; Q453-Q457 WeakPolarHBondContact O-CB 3.47Å; Q453-Q457 PolarHBondContact O-N 2.83Å
454	S	90.5	Very high	85.5	Confident	8 Å²	8	63.3 Å²	63.3	6%	0.056	31%	0.306	C	S	.	.	H	α-helix	trans	-61.2	-43.7	175.8	-55.5	0	0	0	0	111.4	N445 H450 V451 Q457 L458	N445-S454 PolarHBondContact N-OG 2.79Å; H450-S454 PolarHBondContact O-N 3.23Å; H450-S454 PolarHBondContact O-OG 2.79Å; V451-S454 WeakPolarHBondContact O-CB 3.23Å; V451-S454 PolarHBondContact O-N 3.26Å; V451-S454 VanDerWaalsContact O-N 3.14Å; S454-Q457 PolarHBondContact O-N 3.06Å; S454-L458 WeakPolarHBondContact O-CB 3.48Å; S454-L458 VanDerWaalsContact O-CG 3.28Å; S454-L458 WeakPolarHBondContact O-CG 3.35Å; S454-L458 PolarHBondContact O-N 3.49Å
455	V	90.1	Very high	85.2	Confident	15 Å²	15	63.3 Å²	63.3	9%	0.091	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-46.4	176.6	171.7	0	0	0	0	110.6	H378 L381 L382 W444 V451 N452 Q453 T459	H378-V455 HydrophobicContact CB-CG2 4.22Å; L381-V455 HydrophobicContact CB-CG1 4.3Å; L382-V455 HydrophobicContact CD2-CB 4.35Å; L382-V455 HydrophobicContact CD2-CG1 4.14Å; L382-V455 HydrophobicContact CD2-CG2 4.29Å; L382-V455 HydrophobicContact CG-CG1 4.48Å; W444-V455 HydrophobicContact CH2-CG2 4.35Å; W444-V455 HydrophobicContact CZ3-CG2 3.91Å; V451-V455 HydrophobicContact CG1-CG2 4.23Å; V451-V455 WeakPolarHBondContact O-CG2 3.49Å; V451-V455 PolarHBondContact O-N 2.93Å; N452-V455 PolarHBondContact O-N 3.16Å; Q453-V455 PolarHBondContact O-N 2.96Å; V455-T459 VanDerWaalsContact O-CB 3.26Å; V455-T459 WeakPolarHBondContact O-CB 3.13Å; V455-T459 PolarHBondContact O-N 3.46Å; V455-T459 PolarHBondContact O-OG1 3.12Å
456	H	89	Confident	84.8	Confident	142 Å²	142	65.9 Å²	65.9	66%	0.657	32%	0.323	S	S	*	.	H	α-helix	trans	-62.5	-45.5	177.5	-79.1	-65.7	0	0	0	112.2	N452 Q453 Y460	N452-H456 PolarHBondContact O-CD2 3.47Å; N452-H456 PolarHBondContact O-N 3.31Å; Q453-H456 PolarHBondContact O-N 3.49Å; H456-Y460 WeakPolarHBondContact O-CB 3.05Å; H456-Y460 PolarHBondContact O-N 2.82Å
457	Q	89.8	Confident	84.6	Confident	89 Å²	89	71.8 Å²	71.8	42%	0.416	35%	0.346	S	S	.	.	H	α-helix	trans	-62.6	-47.9	178.8	-176.8	-178.1	-2.2	0	0	111.7	Q453 S454 Y460 E461	Q453-Q457 WeakPolarHBondContact O-CB 3.47Å; Q453-Q457 PolarHBondContact O-N 2.83Å; S454-Q457 PolarHBondContact O-N 3.06Å; Q457-Y460 PolarHBondContact O-N 3.26Å; Q457-E461 WeakPolarHBondContact O-CG 3.15Å; Q457-E461 PolarHBondContact O-N 3.25Å
458	L	90.5	Very high	84	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-65.9	-43.2	179.9	-72.5	177.2	0	0	0	111.7	Y375 L382 V424 L440 A443 W444 S454 Y460 E461 M462	Y375-L458 HydrophobicContact CE2-CD1 4.16Å; L382-L458 HydrophobicContact CD2-CB 3.81Å; L382-L458 HydrophobicContact CD2-CD1 4.14Å; V424-L458 HydrophobicContact CB-CD2 4.06Å; V424-L458 HydrophobicContact CG1-CD2 4Å; V424-L458 HydrophobicContact CG2-CD1 4.38Å; V424-L458 HydrophobicContact CG2-CD2 4.02Å; L440-L458 HydrophobicContact CD1-CD2 3.94Å; A443-L458 HydrophobicContact CB-CD2 3.9Å; W444-L458 HydrophobicContact CB-CD1 4.46Å; W444-L458 HydrophobicContact CE3-CD1 3.68Å; W444-L458 HydrophobicContact CZ3-CD1 4.39Å; S454-L458 WeakPolarHBondContact O-CB 3.48Å; S454-L458 VanDerWaalsContact O-CG 3.28Å; S454-L458 WeakPolarHBondContact O-CG 3.35Å; S454-L458 PolarHBondContact O-N 3.49Å; L458-Y460 VanDerWaalsContact C-N 3.29Å; L458-Y460 PolarHBondContact O-N 2.85Å; L458-E461 PolarHBondContact O-N 2.89Å; L458-M462 VanDerWaalsContact O-CB 3.24Å; L458-M462 WeakPolarHBondContact O-CB 3.42Å; L458-M462 WeakPolarHBondContact O-CG 3.48Å; L458-M462 PolarHBondContact O-N 3.39Å
459	T	89.3	Confident	84	Confident	50 Å²	50	71.3 Å²	71.3	31%	0.307	36%	0.357	S	S	.	.	H	α-helix	trans	-59.4	-43.3	176.3	-56.1	0	0	0	0	111.1	V455 M462 D463	V455-T459 VanDerWaalsContact O-CB 3.26Å; V455-T459 WeakPolarHBondContact O-CB 3.13Å; V455-T459 PolarHBondContact O-N 3.46Å; V455-T459 PolarHBondContact O-OG1 3.12Å; T459-M462 PolarHBondContact O-N 3.43Å; T459-D463 WeakPolarHBondContact O-CB 3.2Å; T459-D463 PolarHBondContact O-N 2.8Å
460	Y	88.9	Confident	84.1	Confident	146 Å²	146	66.8 Å²	66.8	57%	0.573	33%	0.33	S	S	*	.	H	α-helix	trans	-62.5	-50.5	176.3	175.6	-97	0	0	0	112.3	H456 Q457 L458 M462 D463 M464	H456-Y460 WeakPolarHBondContact O-CB 3.05Å; H456-Y460 PolarHBondContact O-N 2.82Å; Q457-Y460 PolarHBondContact O-N 3.26Å; L458-Y460 VanDerWaalsContact C-N 3.29Å; L458-Y460 PolarHBondContact O-N 2.85Å; Y460-M462 VanDerWaalsContact C-N 3.27Å; Y460-M462 PolarHBondContact O-N 2.97Å; Y460-D463 PolarHBondContact O-N 3.47Å; Y460-M464 HydrophobicContact CD1-CG 4.43Å; Y460-M464 HydrophobicContact CE1-CG 4Å; Y460-M464 HydrophobicContact CE2-CG 4.19Å; Y460-M464 WeakPolarHBondContact O-CG 3.36Å; Y460-M464 PolarHBondContact O-N 3.38Å
461	E	87.6	Confident	83.9	Confident	24 Å²	24	73 Å²	73	11%	0.112	35%	0.35	C	S	.	.	H	α-helix	trans	-62.3	-35.9	179	-74.2	-76.1	159.5	0	0	111.9	L426 R438 L440 Q457 L458 A465	L426-E461 HydrophobicContact CD1-CB 4.14Å; R438-E461 IonicContact CZ-OE2 2.94Å; R438-E461 IonicContact NE-OE2 3.57Å; R438-E461 PolarHBondContact NE-OE2 3.34Å; R438-E461 IonicContact NH2-OE1 3.47Å; R438-E461 PolarHBondContact NH2-OE1 2.85Å; R438-E461 IonicContact NH2-OE2 3.94Å; R438-E461 PolarHBondContact NH2-OE2 3.43Å; L440-E461 HydrophobicContact CD1-CB 3.84Å; L440-E461 HydrophobicContact CD1-CG 3.9Å; L440-E461 HydrophobicContact CD2-CG 4.13Å; Q457-E461 WeakPolarHBondContact O-CG 3.15Å; Q457-E461 PolarHBondContact O-N 3.25Å; L458-E461 PolarHBondContact O-N 2.89Å; E461-A465 WeakPolarHBondContact O-CB 3.22Å; E461-A465 PolarHBondContact O-N 2.92Å
462	M	87.8	Confident	83.8	Confident	7 Å²	7	72.9 Å²	72.9	3%	0.034	35%	0.35	C	S	.	.	H	α-helix	trans	-69.9	-41.8	176	-74.1	169	42.6	0	0	112.8	L356 V358 L382 V389 L426 L458 T459 Y460 A465 S466	L356-M462 HydrophobicContact CD2-CB 4.38Å; L356-M462 HydrophobicContact CD2-CG 4.41Å; V358-M462 HydrophobicContact CG2-CE 4.4Å; V358-M462 HydrophobicContact CG2-CG 4.03Å; V358-M462 HydrophobicContact CG2-SD 3.89Å; L382-M462 WeakPolarHBondContact O-CE 3.32Å; V389-M462 HydrophobicContact CB-CE 4.47Å; V389-M462 HydrophobicContact CG1-CE 3.71Å; V389-M462 HydrophobicContact CG2-CE 4.36Å; L426-M462 HydrophobicContact CD2-CG 4.18Å; L458-M462 VanDerWaalsContact O-CB 3.24Å; L458-M462 WeakPolarHBondContact O-CB 3.42Å; L458-M462 WeakPolarHBondContact O-CG 3.48Å; L458-M462 PolarHBondContact O-N 3.39Å; T459-M462 PolarHBondContact O-N 3.43Å; Y460-M462 VanDerWaalsContact C-N 3.27Å; Y460-M462 PolarHBondContact O-N 2.97Å; M462-A465 PolarHBondContact O-N 2.98Å; M462-S466 WeakPolarHBondContact O-CB 3.35Å; M462-S466 PolarHBondContact O-N 3Å; M462-S466 PolarHBondContact O-OG 3.49Å
463	D	86.1	Confident	83.5	Confident	80 Å²	80	72.9 Å²	72.9	43%	0.428	35%	0.35	S	S	.	.	H	α-helix	trans	-62.6	-46.6	175.1	-175.8	67.7	0	0	0	110.3	T459 Y460 A465 S466 R467	T459-D463 WeakPolarHBondContact O-CB 3.2Å; T459-D463 PolarHBondContact O-N 2.8Å; Y460-D463 PolarHBondContact O-N 3.47Å; D463-A465 PolarHBondContact O-N 3.26Å; D463-S466 PolarHBondContact O-N 3.37Å; D463-S466 VanDerWaalsContact O-N 3.14Å; D463-R467 WeakPolarHBondContact O-CG 3.47Å; D463-R467 PolarHBondContact O-N 3.3Å; D463-R467 IonicContact OD2-CZ 3.8Å; D463-R467 IonicContact OD2-NE 2.69Å; D463-R467 PolarHBondContact OD2-NE 3.31Å; D463-R467 VanDerWaalsContact OD2-NE 3.16Å; D463-R467 IonicContact OD2-NH2 2.95Å; D463-R467 PolarHBondContact OD2-NH2 2.84Å
464	M	84.5	Confident	83.5	Confident	39 Å²	39	72.6 Å²	72.6	19%	0.192	34%	0.343	C	S	.	.	H	α-helix	trans	-58.7	-48.4	174.1	-70.5	-58.1	-64.5	0	0	111.3	Y460 S466 R467 Y470	Y460-M464 HydrophobicContact CD1-CG 4.43Å; Y460-M464 HydrophobicContact CE1-CG 4Å; Y460-M464 HydrophobicContact CE2-CG 4.19Å; Y460-M464 WeakPolarHBondContact O-CG 3.36Å; Y460-M464 PolarHBondContact O-N 3.38Å; M464-S466 PolarHBondContact O-N 3.09Å; M464-R467 WeakPolarHBondContact O-CB 3.48Å; M464-R467 PolarHBondContact O-N 3.28Å; M464-R467 VanDerWaalsContact O-N 3.15Å; M464-Y470 HydrophobicContact CB-CD2 4.31Å; M464-Y470 HydrophobicContact CB-CE2 4.25Å; M464-Y470 HydrophobicContact CE-CD2 4.11Å; M464-Y470 HydrophobicContact CE-CE2 4.35Å; M464-Y470 WeakPolarHBondContact O-CB 3.44Å; M464-Y470 VanDerWaalsContact O-CG 3.26Å
465	A	84	Confident	83.5	Confident	0 Å²	0	80 Å²	80	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-63.8	-25.8	177.7	0	0	0	0	0	113.7	L356 L426 K428 E461 M462 D463 Y470 L472	L356-A465 HydrophobicContact CD1-CB 4.12Å; L356-A465 HydrophobicContact CD2-CB 3.9Å; L426-A465 HydrophobicContact CD1-CB 3.96Å; K428-A465 WeakPolarHBondContact CE-O 3.17Å; K428-A465 PolarHBondContact NZ-O 3.03Å; E461-A465 WeakPolarHBondContact O-CB 3.22Å; E461-A465 PolarHBondContact O-N 2.92Å; M462-A465 PolarHBondContact O-N 2.98Å; D463-A465 PolarHBondContact O-N 3.26Å; A465-Y470 VanDerWaalsContact CA-CD1 3.48Å; A465-Y470 HydrophobicContact CB-CD1 4.2Å; A465-Y470 HydrophobicContact CB-CE1 4.2Å; A465-L472 HydrophobicContact CB-CD2 4.15Å
466	S	80.8	Confident	83.3	Confident	56 Å²	56	79.8 Å²	79.8	39%	0.392	37%	0.37	S	S	.	.	H	α-helix	trans	-78.6	-20.7	178	-60.6	0	0	0	0	112.7	M462 D463 M464	M462-S466 WeakPolarHBondContact O-CB 3.35Å; M462-S466 PolarHBondContact O-N 3Å; M462-S466 PolarHBondContact O-OG 3.49Å; D463-S466 PolarHBondContact O-N 3.37Å; D463-S466 VanDerWaalsContact O-N 3.14Å; M464-S466 PolarHBondContact O-N 3.09Å
467	R	79.6	Confident	83.4	Confident	126 Å²	126	81 Å²	81	48%	0.475	37%	0.373	S	S	.	.	S	Bend	trans	-68.3	138	177.2	-65	169.2	-170	-160.2	1.8	110.9	D463 M464 S469 Y470	D463-R467 WeakPolarHBondContact O-CG 3.47Å; D463-R467 PolarHBondContact O-N 3.3Å; D463-R467 IonicContact OD2-CZ 3.8Å; D463-R467 IonicContact OD2-NE 2.69Å; D463-R467 PolarHBondContact OD2-NE 3.31Å; D463-R467 VanDerWaalsContact OD2-NE 3.16Å; D463-R467 IonicContact OD2-NH2 2.95Å; D463-R467 PolarHBondContact OD2-NH2 2.84Å; M464-R467 WeakPolarHBondContact O-CB 3.48Å; M464-R467 PolarHBondContact O-N 3.28Å; M464-R467 VanDerWaalsContact O-N 3.15Å; R467-S469 VanDerWaalsContact C-N 3.28Å; R467-S469 PolarHBondContact O-N 3.01Å; R467-Y470 WeakPolarHBondContact O-CB 3.19Å; R467-Y470 PolarHBondContact O-N 3.44Å; R467-Y470 VanDerWaalsContact O-N 3.09Å
468	Q	68	Low	83.4	Confident	157 Å²	157	77.3 Å²	77.3	73%	0.734	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-33.2	-177.9	-70.4	-177.8	-3.2	0	0	113.5	Y470	Q468-Y470 PolarHBondContact O-N 3.17Å
469	S	67.4	Low	83.4	Confident	111 Å²	111	79.1 Å²	79.1	78%	0.776	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-18.1	178.4	51.7	0	0	0	0	113.1	R467	R467-S469 VanDerWaalsContact C-N 3.28Å; R467-S469 PolarHBondContact O-N 3.01Å
470	Y	72.3	Confident	83.4	Confident	45 Å²	45	82.8 Å²	82.8	18%	0.176	39%	0.385	C	S	.	.			trans	-89.5	113.5	-175.2	-166.2	-93.8	0	0	0	111.6	R438 M464 A465 R467 Q468 L472	R438-Y470 PolarHBondContact NE-OH 2.87Å; R438-Y470 PolarHBondContact NH1-OH 3.42Å; R438-Y470 PolarHBondContact NH2-OH 2.83Å; M464-Y470 HydrophobicContact CB-CD2 4.31Å; M464-Y470 HydrophobicContact CB-CE2 4.25Å; M464-Y470 HydrophobicContact CE-CD2 4.11Å; M464-Y470 HydrophobicContact CE-CE2 4.35Å; M464-Y470 WeakPolarHBondContact O-CB 3.44Å; M464-Y470 VanDerWaalsContact O-CG 3.26Å; A465-Y470 VanDerWaalsContact CA-CD1 3.48Å; A465-Y470 HydrophobicContact CB-CD1 4.2Å; A465-Y470 HydrophobicContact CB-CE1 4.2Å; R467-Y470 WeakPolarHBondContact O-CB 3.19Å; R467-Y470 PolarHBondContact O-N 3.44Å; R467-Y470 VanDerWaalsContact O-N 3.09Å; Q468-Y470 PolarHBondContact O-N 3.17Å; Y470-L472 HydrophobicContact CD1-CD2 4.41Å; Y470-L472 HydrophobicContact CE1-CD2 4Å
471	R	75.4	Confident	83.5	Confident	203 Å²	203	76.4 Å²	76.4	77%	0.766	36%	0.361	S	S	*	.			trans	-94.6	131	171.7	-69.9	-177.1	176.9	174.2	0.8	109.1
472	L	83	Confident	83.6	Confident	4 Å²	4	83.6 Å²	83.6	2%	0.021	39%	0.387	C	S	.	.			trans	-68.7	141.1	170.6	-60.9	168.4	0	0	0	109.3	L426 K428 Q436 R438 A465 Y470 R474	L426-L472 HydrophobicContact CB-CD2 4.11Å; K428-L472 HydrophobicContact CB-CD1 3.91Å; K428-L472 HydrophobicContact CD-CD1 3.99Å; K428-L472 HydrophobicContact CG-CD1 3.75Å; Q436-L472 HydrophobicContact CB-CB 4.02Å; Q436-L472 HydrophobicContact CB-CD1 4.35Å; Q436-L472 WeakPolarHBondContact O-CD1 3.26Å; R438-L472 HydrophobicContact CB-CB 4.45Å; R438-L472 HydrophobicContact CB-CD2 3.72Å; A465-L472 HydrophobicContact CB-CD2 4.15Å; Y470-L472 HydrophobicContact CD1-CD2 4.41Å; Y470-L472 HydrophobicContact CE1-CD2 4Å; L472-R474 VanDerWaalsContact C-N 3.29Å; L472-R474 PolarHBondContact O-N 2.93Å
473	D	81	Confident	83.6	Confident	104 Å²	104	86.2 Å²	86.2	56%	0.556	40%	0.401	S	S	*	.	S	Bend	trans	-64.2	-28.7	-160.9	-52.7	-46.7	0	0	0	114.3	R438	R438-D473 WeakPolarHBondContact CD-OD2 3.16Å; R438-D473 WeakPolarHBondContact CG-OD2 3.25Å; R438-D473 IonicContact CZ-OD2 3.5Å; R438-D473 IonicContact NE-OD2 2.93Å; R438-D473 IonicContact NH1-OD1 3.96Å; R438-D473 IonicContact NH1-OD2 3.78Å; R438-D473 PolarHBondContact NH1-OD2 2.87Å
474	R	88.5	Confident	83.6	Confident	118 Å²	118	84.3 Å²	84.3	45%	0.445	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	156.6	-169.6	-68.6	-178.9	159.6	-176	-3.2	113	D411 Q436 F437 L472	D411-R474 IonicContact OD2-NH1 2.6Å; Q436-R474 CarbonylContact C-O 3.55Å; Q436-R474 WeakPolarHBondContact CA-O 3.48Å; F437-R474 HydrophobicContact CD1-CB 3.95Å; F437-R474 HydrophobicContact CD2-CB 4.46Å; F437-R474 HydrophobicContact CE1-CB 3.45Å; F437-R474 VanDerWaalsContact CE1-CB 3.45Å; F437-R474 HydrophobicContact CE2-CB 4.02Å; F437-R474 HydrophobicContact CG-CB 4.43Å; F437-R474 HydrophobicContact CZ-CB 3.51Å; F437-R474 HydrophobicContact CZ-CG 4.29Å; F437-R474 PolarHBondContact N-O 3.49Å; F437-R474 PolarHBondContact O-N 3.25Å; F437-R474 VanDerWaalsContact O-N 3.13Å; L472-R474 VanDerWaalsContact C-N 3.29Å; L472-R474 PolarHBondContact O-N 2.93Å
475	W	89.3	Confident	83.5	Confident	163 Å²	163	85.3 Å²	85.3	62%	0.617	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	139	173.1	-71.6	82.5	0	0	0	110.6	Q430 A435 Q436	Q430-W475 HydrophobicContact CB-CZ3 4.34Å; Q430-W475 HydrophobicContact CG-CH2 4.02Å; Q430-W475 HydrophobicContact CG-CZ3 3.83Å; A435-W475 WeakPolarHBondContact O-CA 3.14Å; Q436-W475 HydrophobicContact CG-CD2 3.61Å; Q436-W475 HydrophobicContact CG-CE3 3.7Å; Q436-W475 HydrophobicContact CG-CG 4.36Å; Q436-W475 HydrophobicContact CG-CH2 3.71Å; Q436-W475 HydrophobicContact CG-CZ2 3.62Å; Q436-W475 HydrophobicContact CG-CZ3 3.74Å; Q436-W475 VanDerWaalsContact NE2-CE2 3.27Å
476	A	87.5	Confident	83.3	Confident	11 Å²	11	86.1 Å²	86.1	9%	0.091	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	144.3	176	0	0	0	0	0	111.4	S405 F406 A435 F437 L478	S405-A476 WeakPolarHBondContact O-CB 3.44Å; F406-A476 HydrophobicContact CD1-CB 4.06Å; F406-A476 HydrophobicContact CE1-CB 4.3Å; A435-A476 PolarHBondContact N-O 3.26Å; A435-A476 VanDerWaalsContact N-O 3.11Å; A435-A476 PolarHBondContact O-N 3.08Å; F437-A476 HydrophobicContact CD1-CB 3.76Å; F437-A476 HydrophobicContact CE1-CB 3.48Å; F437-A476 VanDerWaalsContact CE1-CB 3.48Å; F437-A476 HydrophobicContact CZ-CB 4.44Å; A476-L478 HydrophobicContact CB-CD2 4.06Å
477	K	90.4	Very high	83	Confident	168 Å²	168	86.1 Å²	86.1	73%	0.73	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	109.8	160.9	-173.5	177.8	178.1	-177.6	0	108.1	S433	S433-K477 CarbonylContact O-C 3.56Å; S433-K477 WeakPolarHBondContact O-CA 3.42Å
478	L	90	Very high	82.8	Confident	12 Å²	12	82.4 Å²	82.4	6%	0.063	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-73.9	129.4	-175.4	-53.7	-174.1	0	0	0	111	F340 F402 F406 R429 S433 A435 A476	F340-L478 HydrophobicContact CE1-CD1 3.75Å; F340-L478 HydrophobicContact CZ-CD1 3.6Å; F402-L478 HydrophobicContact CE2-CB 4.4Å; F402-L478 HydrophobicContact CE2-CD1 4.39Å; F402-L478 HydrophobicContact CE2-CD2 4.49Å; F406-L478 HydrophobicContact CD1-CD2 4.22Å; F406-L478 HydrophobicContact CE1-CD2 3.26Å; F406-L478 HydrophobicContact CE2-CD2 4.08Å; F406-L478 HydrophobicContact CZ-CD2 3.18Å; F406-L478 HydrophobicContact CZ-CG 4.45Å; R429-L478 HydrophobicContact CG-CD1 4.4Å; S433-L478 PolarHBondContact O-N 3.3Å; A435-L478 HydrophobicContact CB-CD1 3.77Å; A435-L478 HydrophobicContact CB-CD2 4.2Å; A435-L478 HydrophobicContact CB-CG 4.07Å; A476-L478 HydrophobicContact CB-CD2 4.06Å
479	A	90.9	Very high	83.2	Confident	37 Å²	37	79.9 Å²	79.9	31%	0.306	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-69.5	157.3	163.8	0	0	0	0	0	111	F402 S405	F402-A479 WeakPolarHBondContact CD2-O 3.43Å; S405-A479 PolarHBondContact OG-N 2.8Å; S405-A479 VanDerWaalsContact OG-N 3.07Å
480	E	89.6	Confident	83.7	Confident	127 Å²	127	84.1 Å²	84.1	59%	0.593	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-73.7	140.8	174.6	-65	-169.6	155.2	0	0	110.5	K432	K432-E480 IonicContact NZ-OE1 3.07Å; K432-E480 PolarHBondContact NZ-OE1 3.17Å
481	L	90.6	Very high	83.8	Confident	12 Å²	12	87.4 Å²	87.4	6%	0.063	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-73.5	141	177.5	-74.3	95.7	0	0	0	111.2	L334 F340 Q399 F402	L334-L481 HydrophobicContact CB-CD2 3.64Å; L334-L481 WeakPolarHBondContact O-CD2 3.17Å; F340-L481 HydrophobicContact CB-CD1 3.62Å; F340-L481 HydrophobicContact CD1-CD1 3.4Å; F340-L481 VanDerWaalsContact CD1-CD1 3.4Å; F340-L481 HydrophobicContact CD2-CD1 4.46Å; F340-L481 HydrophobicContact CE1-CD1 4.14Å; F340-L481 HydrophobicContact CG-CD1 3.59Å; Q399-L481 HydrophobicContact CG-CD2 4.38Å; F402-L481 HydrophobicContact CB-CG 4.26Å; F402-L481 HydrophobicContact CD1-CD2 4.33Å; F402-L481 HydrophobicContact CD1-CG 4.34Å; F402-L481 HydrophobicContact CD2-CD1 3.71Å; F402-L481 HydrophobicContact CD2-CG 3.92Å; F402-L481 HydrophobicContact CE2-CD1 3.7Å; F402-L481 HydrophobicContact CE2-CG 4.31Å; F402-L481 HydrophobicContact CG-CD1 4.21Å; F402-L481 HydrophobicContact CG-CD2 4.4Å; F402-L481 HydrophobicContact CG-CG 3.93Å; F402-L481 HydrophobicContact CZ-CD1 4.2Å
482	R	88.9	Confident	83.9	Confident	175 Å²	175	82.8 Å²	82.8	66%	0.66	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-72.7	130.3	171.3	179.6	179.9	176.1	179.8	-0.2	108.7	Q399 E484	Q399-R482 PolarHBondContact NE2-O 3.18Å; R482-E484 PolarHBondContact O-N 3.1Å
483	D	87.7	Confident	83.7	Confident	62 Å²	62	87.6 Å²	87.6	33%	0.332	42%	0.423	S	S	.	.			trans	-73.3	109	171.8	-174	2.2	0	0	0	110.6	S335 N485 G486	S335-D483 WeakPolarHBondContact O-CA 3.39Å; D483-N485 PolarHBondContact OD1-N 3.19Å; D483-G486 VanDerWaalsContact CG-CA 3.45Å; D483-G486 PolarHBondContact OD1-N 3.05Å; D483-G486 WeakPolarHBondContact OD2-CA 3.43Å; D483-G486 PolarHBondContact OD2-N 3.35Å
484	E	87	Confident	83.4	Confident	40 Å²	40	85.1 Å²	85.1	19%	0.187	42%	0.418	C	S	.	.	S	Bend	trans	-72.3	-33.3	-179.1	-65	178.9	177.8	0	0	112.9	R333 S335 T398 Q399 R482	R333-E484 IonicContact CZ-OE2 3.56Å; R333-E484 IonicContact NE-OE2 3.16Å; R333-E484 PolarHBondContact NE-OE2 2.86Å; R333-E484 IonicContact NH2-OE2 2.9Å; R333-E484 PolarHBondContact NH2-OE2 3.15Å; S335-E484 PolarHBondContact O-N 3.3Å; T398-E484 WeakPolarHBondContact CB-OE1 3.34Å; T398-E484 PolarHBondContact OG1-OE1 2.87Å; Q399-E484 PolarHBondContact NE2-OE1 3.37Å; Q399-E484 VanDerWaalsContact NE2-OE1 3.09Å; R482-E484 PolarHBondContact O-N 3.1Å
485	N	82.6	Confident	82.9	Confident	60 Å²	60	84 Å²	84	32%	0.321	42%	0.416	S	S	.	.	S	Bend	trans	-98	-9.7	-177.1	-62.4	-29.4	0	0	0	111.9	H242 D483	H242-N485 PolarHBondContact O-ND2 3.09Å; D483-N485 PolarHBondContact OD1-N 3.19Å
486	G	78.8	Confident	82.4	Confident	18 Å²	18	81.1 Å²	81.1	19%	0.186	41%	0.413	C	S	.	.	S	Bend	trans	-68.7	154.3	179.3	0	0	0	0	0	112.3	D483	D483-G486 VanDerWaalsContact CG-CA 3.45Å; D483-G486 PolarHBondContact OD1-N 3.05Å; D483-G486 WeakPolarHBondContact OD2-CA 3.43Å; D483-G486 PolarHBondContact OD2-N 3.35Å
487	P	75	Confident	82	Confident	56 Å²	56	86.2 Å²	86.2	36%	0.364	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-58.9	145.5	176.7	22.2	-31.5	0	0	0	111	H491 R492	P487-H491 HydrophobicContact CB-CB 3.9Å; P487-H491 WeakPolarHBondContact CB-CD2 3.47Å; P487-R492 HydrophobicContact CB-CG 4.29Å; P487-R492 HydrophobicContact CG-CG 3.86Å; P487-R492 PolarHBondContact O-NE 3.06Å; P487-R492 PolarHBondContact O-NH2 2.92Å
488	G	75.1	Confident	81.4	Confident	48 Å²	48	81.8 Å²	81.8	50%	0.495	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-60.8	165.7	175.2	0	0	0	0	0	113.2	Y490 H491 R492	G488-Y490 VanDerWaalsContact C-N 3.3Å; G488-Y490 PolarHBondContact O-N 3.12Å; G488-H491 PolarHBondContact O-N 3.16Å; G488-H491 VanDerWaalsContact O-N 3.08Å; G488-R492 PolarHBondContact O-N 2.87Å
489	V	76.3	Confident	80.5	Confident	103 Å²	103	85.3 Å²	85.3	62%	0.624	44%	0.44	S	S	*	.	H	α-helix	trans	-55.7	-43.8	-175.5	-179.1	0	0	0	0	112	H491 R492 L493	V489-H491 PolarHBondContact O-N 3.49Å; V489-R492 PolarHBondContact O-N 3.06Å; V489-L493 HydrophobicContact CG1-CD1 4.03Å; V489-L493 HydrophobicContact CG1-CG 4.43Å; V489-L493 WeakPolarHBondContact O-CG 3.41Å; V489-L493 PolarHBondContact O-N 2.67Å
490	Y	78	Confident	79.8	Confident	201 Å²	201	85.3 Å²	85.3	79%	0.788	44%	0.443	S	S	*	.	H	α-helix	trans	-64.3	-40.8	177.8	-61.1	-67.9	0	0	0	113	G488 R492 L493 A494	G488-Y490 VanDerWaalsContact C-N 3.3Å; G488-Y490 PolarHBondContact O-N 3.12Å; Y490-R492 VanDerWaalsContact C-N 3.35Å; Y490-L493 PolarHBondContact O-N 3.29Å; Y490-A494 VanDerWaalsContact O-CB 3.31Å; Y490-A494 WeakPolarHBondContact O-CB 3.38Å; Y490-A494 PolarHBondContact O-N 3.1Å
491	H	74.7	Confident	78.9	Confident	113 Å²	113	82.4 Å²	82.4	52%	0.523	43%	0.434	S	S	.	.	H	α-helix	trans	-66.9	-38.1	175.8	-175.7	96.7	0	0	0	111.2	P487 G488 V489 A494 K495	P487-H491 HydrophobicContact CB-CB 3.9Å; P487-H491 WeakPolarHBondContact CB-CD2 3.47Å; G488-H491 PolarHBondContact O-N 3.16Å; G488-H491 VanDerWaalsContact O-N 3.08Å; V489-H491 PolarHBondContact O-N 3.49Å; H491-A494 PolarHBondContact O-N 3.04Å; H491-K495 WeakPolarHBondContact O-CB 3.42Å; H491-K495 PolarHBondContact O-N 2.76Å
492	R	77.7	Confident	77.8	Confident	107 Å²	107	86.7 Å²	86.7	40%	0.404	45%	0.449	S	S	.	.	H	α-helix	trans	-62.9	-44.9	173.2	-67.6	-179.4	-162.8	-175.3	1.7	111.6	P487 G488 V489 Y490 K495 N496	P487-R492 HydrophobicContact CB-CG 4.29Å; P487-R492 HydrophobicContact CG-CG 3.86Å; P487-R492 PolarHBondContact O-NE 3.06Å; P487-R492 PolarHBondContact O-NH2 2.92Å; G488-R492 PolarHBondContact O-N 2.87Å; V489-R492 PolarHBondContact O-N 3.06Å; Y490-R492 VanDerWaalsContact C-N 3.35Å; R492-K495 PolarHBondContact O-N 3Å; R492-N496 VanDerWaalsContact O-CB 3.29Å; R492-N496 WeakPolarHBondContact O-CB 3.45Å; R492-N496 PolarHBondContact O-N 3.23Å; R492-N496 PolarHBondContact O-ND2 3.46Å
493	L	77.9	Confident	76.7	Confident	104 Å²	104	85 Å²	85	55%	0.545	45%	0.449	S	S	.	.	H	α-helix	trans	-61.8	-48.3	176.5	-73.6	170	0	0	0	111.2	V489 Y490 K495 N496 L497	V489-L493 HydrophobicContact CG1-CD1 4.03Å; V489-L493 HydrophobicContact CG1-CG 4.43Å; V489-L493 WeakPolarHBondContact O-CG 3.41Å; V489-L493 PolarHBondContact O-N 2.67Å; Y490-L493 PolarHBondContact O-N 3.29Å; L493-K495 PolarHBondContact O-N 2.91Å; L493-N496 PolarHBondContact O-N 2.79Å; L493-L497 WeakPolarHBondContact O-CB 3.3Å; L493-L497 PolarHBondContact O-N 3.37Å
494	A	75.3	Confident	75.8	Confident	53 Å²	53	87.7 Å²	87.7	44%	0.438	46%	0.458	S	S	.	.	H	α-helix	trans	-60.9	-45.3	176.8	0	0	0	0	0	111.7	Y490 H491 N496 L497 V498	Y490-A494 VanDerWaalsContact O-CB 3.31Å; Y490-A494 WeakPolarHBondContact O-CB 3.38Å; Y490-A494 PolarHBondContact O-N 3.1Å; H491-A494 PolarHBondContact O-N 3.04Å; A494-N496 PolarHBondContact O-N 3.3Å; A494-L497 PolarHBondContact O-N 3.03Å; A494-V498 WeakPolarHBondContact O-CB 3.49Å; A494-V498 VanDerWaalsContact O-CG2 3.3Å; A494-V498 WeakPolarHBondContact O-CG2 3.38Å; A494-V498 PolarHBondContact O-N 2.7Å
495	K	77.3	Confident	74.6	Confident	95 Å²	95	90 Å²	90	41%	0.413	47%	0.467	S	S	.	.	H	α-helix	trans	-62.6	-41.8	176.6	-176	173.3	-178.4	172.1	0	111.8	H491 R492 L493 V498 K499	H491-K495 WeakPolarHBondContact O-CB 3.42Å; H491-K495 PolarHBondContact O-N 2.76Å; R492-K495 PolarHBondContact O-N 3Å; L493-K495 PolarHBondContact O-N 2.91Å; K495-V498 PolarHBondContact O-N 2.7Å; K495-K499 WeakPolarHBondContact O-CB 3.48Å; K495-K499 VanDerWaalsContact O-CG 3.3Å; K495-K499 WeakPolarHBondContact O-CG 3.24Å; K495-K499 PolarHBondContact O-N 3.15Å
496	N	79.5	Confident	73.5	Confident	102 Å²	102	91.1 Å²	91.1	55%	0.545	47%	0.467	S	S	.	.	H	α-helix	trans	-67.4	-37.3	176.2	-72.3	-12.3	0	0	0	111.6	R492 L493 A494 K499 G500	R492-N496 VanDerWaalsContact O-CB 3.29Å; R492-N496 WeakPolarHBondContact O-CB 3.45Å; R492-N496 PolarHBondContact O-N 3.23Å; R492-N496 PolarHBondContact O-ND2 3.46Å; L493-N496 PolarHBondContact O-N 2.79Å; A494-N496 PolarHBondContact O-N 3.3Å; N496-K499 PolarHBondContact O-N 2.97Å; N496-G500 PolarHBondContact O-N 3.3Å
497	L	79.3	Confident	72.4	Confident	117 Å²	117	93.1 Å²	93.1	61%	0.613	49%	0.488	S	S	*	.	H	α-helix	trans	-66.5	-46.7	174.4	-173	142.2	0	0	0	111	L493 A494 K499 G500 V501	L493-L497 WeakPolarHBondContact O-CB 3.3Å; L493-L497 PolarHBondContact O-N 3.37Å; A494-L497 PolarHBondContact O-N 3.03Å; L497-K499 VanDerWaalsContact C-N 3.33Å; L497-K499 PolarHBondContact O-N 3.43Å; L497-G500 PolarHBondContact O-N 3.23Å; L497-V501 HydrophobicContact CD2-CG2 4.06Å; L497-V501 HydrophobicContact CG-CG2 4.47Å; L497-V501 WeakPolarHBondContact O-CB 3.34Å; L497-V501 VanDerWaalsContact O-CG2 3.24Å; L497-V501 WeakPolarHBondContact O-CG2 3.26Å; L497-V501 PolarHBondContact O-N 2.98Å
498	V	77.3	Confident	71.6	Confident	75 Å²	75	91.6 Å²	91.6	46%	0.455	48%	0.476	S	S	.	.	H	α-helix	trans	-60.4	-42.5	174.2	171	0	0	0	0	111	A494 K495 R502	A494-V498 WeakPolarHBondContact O-CB 3.49Å; A494-V498 VanDerWaalsContact O-CG2 3.3Å; A494-V498 WeakPolarHBondContact O-CG2 3.38Å; A494-V498 PolarHBondContact O-N 2.7Å; K495-V498 PolarHBondContact O-N 2.7Å; V498-R502 WeakPolarHBondContact O-CB 3.43Å; V498-R502 PolarHBondContact O-N 3.4Å
499	K	71.4	Confident	70.8	Confident	87 Å²	87	91.3 Å²	91.3	38%	0.378	47%	0.466	S	S	.	.	H	α-helix	trans	-62.8	-43.9	173.9	-78.7	-175	177.4	-165.8	0	111.6	K495 N496 L497 R502 Q503	K495-K499 WeakPolarHBondContact O-CB 3.48Å; K495-K499 VanDerWaalsContact O-CG 3.3Å; K495-K499 WeakPolarHBondContact O-CG 3.24Å; K495-K499 PolarHBondContact O-N 3.15Å; N496-K499 PolarHBondContact O-N 2.97Å; L497-K499 VanDerWaalsContact C-N 3.33Å; L497-K499 PolarHBondContact O-N 3.43Å; K499-R502 PolarHBondContact O-N 3.39Å; K499-Q503 WeakPolarHBondContact O-CB 3.34Å; K499-Q503 PolarHBondContact O-N 3.16Å
500	G	75.4	Confident	69.9	Low	37 Å²	37	95.4 Å²	95.4	38%	0.381	48%	0.476	S	S	.	.	H	α-helix	trans	-63.3	-45.7	177.8	0	0	0	0	0	112.1	N496 L497 Q503 F504	N496-G500 PolarHBondContact O-N 3.3Å; L497-G500 PolarHBondContact O-N 3.23Å; G500-Q503 PolarHBondContact O-N 3.34Å; G500-F504 VanDerWaalsContact O-CB 3.31Å; G500-F504 WeakPolarHBondContact O-CB 3.47Å; G500-F504 PolarHBondContact O-N 3.48Å
501	V	70.9	Confident	69.1	Low	65 Å²	65	93.9 Å²	93.9	39%	0.394	48%	0.476	S	S	.	.	H	α-helix	trans	-62.8	-46.7	174.7	171.4	0	0	0	0	110.6	L497 Q503 F504 F505	L497-V501 HydrophobicContact CD2-CG2 4.06Å; L497-V501 HydrophobicContact CG-CG2 4.47Å; L497-V501 WeakPolarHBondContact O-CB 3.34Å; L497-V501 VanDerWaalsContact O-CG2 3.24Å; L497-V501 WeakPolarHBondContact O-CG2 3.26Å; L497-V501 PolarHBondContact O-N 2.98Å; V501-Q503 VanDerWaalsContact C-N 3.31Å; V501-Q503 PolarHBondContact O-N 3.18Å; V501-F504 WeakPolarHBondContact O-CB 3.42Å; V501-F504 PolarHBondContact O-N 3.34Å; V501-F505 HydrophobicContact CG1-CD2 3.59Å; V501-F505 HydrophobicContact CG1-CE2 3.46Å; V501-F505 VanDerWaalsContact CG1-CE2 3.46Å; V501-F505 WeakPolarHBondContact O-CD2 3.27Å; V501-F505 PolarHBondContact O-N 3.13Å
502	R	68.4	Low	68.4	Low	102 Å²	102	93.8 Å²	93.8	39%	0.385	48%	0.476	S	S	.	.	H	α-helix	trans	-61.9	-40.1	176.2	-171	-176.9	-60.7	165.6	-1.2	111.3	D197 V498 K499 R506	D197-R502 IonicContact OD1-CZ 3Å; D197-R502 IonicContact OD1-NH1 3.4Å; D197-R502 PolarHBondContact OD1-NH1 2.87Å; D197-R502 IonicContact OD2-NH1 2.71Å; D197-R502 PolarHBondContact OD2-NH1 3.18Å; V498-R502 WeakPolarHBondContact O-CB 3.43Å; V498-R502 PolarHBondContact O-N 3.4Å; K499-R502 PolarHBondContact O-N 3.39Å; R502-R506 WeakPolarHBondContact O-CB 3.28Å; R502-R506 WeakPolarHBondContact O-CG 3.21Å; R502-R506 PolarHBondContact O-N 3.49Å
503	Q	65.6	Low	67.8	Low	140 Å²	140	89.7 Å²	89.7	65%	0.654	47%	0.465	S	S	*	.	H	α-helix	trans	-68.8	-36.5	177	-170.6	169.9	-0.7	0	0	111.7	K499 G500 V501 R506 G507	K499-Q503 WeakPolarHBondContact O-CB 3.34Å; K499-Q503 PolarHBondContact O-N 3.16Å; G500-Q503 PolarHBondContact O-N 3.34Å; V501-Q503 VanDerWaalsContact C-N 3.31Å; V501-Q503 PolarHBondContact O-N 3.18Å; Q503-R506 CarbonylContact O-C 3.47Å; Q503-R506 WeakPolarHBondContact O-CA 3.45Å; Q503-R506 WeakPolarHBondContact O-CB 3.44Å; Q503-R506 PolarHBondContact O-N 3.17Å; Q503-G507 PolarHBondContact O-N 3.17Å
504	F	68.1	Low	67.5	Low	119 Å²	119	91 Å²	91	52%	0.522	47%	0.471	S	S	.	.	H	α-helix	trans	-64.2	-48.3	173.1	179.6	-100.3	0	0	0	111.7	G500 V501 R506 G507 I508 V516	G500-F504 VanDerWaalsContact O-CB 3.31Å; G500-F504 WeakPolarHBondContact O-CB 3.47Å; G500-F504 PolarHBondContact O-N 3.48Å; V501-F504 WeakPolarHBondContact O-CB 3.42Å; V501-F504 PolarHBondContact O-N 3.34Å; F504-R506 PolarHBondContact O-N 2.99Å; F504-G507 WeakPolarHBondContact O-CA 3.38Å; F504-G507 PolarHBondContact O-N 3.43Å; F504-I508 HydrophobicContact CD1-CD1 3.77Å; F504-I508 HydrophobicContact CD2-CD1 4.45Å; F504-I508 HydrophobicContact CE1-CD1 3.28Å; F504-I508 HydrophobicContact CE2-CD1 4.03Å; F504-I508 HydrophobicContact CG-CD1 4.34Å; F504-I508 HydrophobicContact CZ-CD1 3.43Å; F504-I508 VanDerWaalsContact CZ-CD1 3.43Å; F504-I508 PolarHBondContact O-N 3.4Å; F504-V516 HydrophobicContact CE1-CG1 4.33Å
505	F	61.1	Low	67.5	Low	87 Å²	87	91.9 Å²	91.9	38%	0.382	47%	0.473	S	S	.	.	H	α-helix	trans	-66.8	-24.3	172.9	-73.8	-65.7	0	0	0	112.9	R183 V501 G507 V517	R183-F505 PolarHBondContact NH1-O 3.38Å; V501-F505 HydrophobicContact CG1-CD2 3.59Å; V501-F505 HydrophobicContact CG1-CE2 3.46Å; V501-F505 VanDerWaalsContact CG1-CE2 3.46Å; V501-F505 WeakPolarHBondContact O-CD2 3.27Å; V501-F505 PolarHBondContact O-N 3.13Å; F505-G507 VanDerWaalsContact C-N 3.3Å; F505-V517 HydrophobicContact CE1-CG2 4.05Å; F505-V517 HydrophobicContact CZ-CG2 4.45Å
506	R	59.4	Low	67.4	Low	85 Å²	85	89.6 Å²	89.6	32%	0.321	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-9.8	166.6	-76.6	176.9	-176.3	167.7	6.8	113.6	R183 G196 D197 R502 Q503 F504	R183-R506 PolarHBondContact NE-O 3.29Å; R183-R506 PolarHBondContact NH2-O 3.26Å; G196-R506 PolarHBondContact O-NH1 3.41Å; D197-R506 IonicContact OD1-CZ 4Å; D197-R506 IonicContact OD1-NH1 3.5Å; D197-R506 IonicContact OD1-NH2 3.52Å; D197-R506 PolarHBondContact OD1-NH2 2.96Å; R502-R506 WeakPolarHBondContact O-CB 3.28Å; R502-R506 WeakPolarHBondContact O-CG 3.21Å; R502-R506 PolarHBondContact O-N 3.49Å; Q503-R506 CarbonylContact O-C 3.47Å; Q503-R506 WeakPolarHBondContact O-CA 3.45Å; Q503-R506 WeakPolarHBondContact O-CB 3.44Å; Q503-R506 PolarHBondContact O-N 3.17Å; F504-R506 PolarHBondContact O-N 2.99Å
507	G	56	Low	67.4	Low	60 Å²	60	88.3 Å²	88.3	62%	0.619	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-33.9	168.5	0	0	0	0	0	111.9	R183 Q503 F504 F505	R183-G507 PolarHBondContact NH2-O 2.95Å; Q503-G507 PolarHBondContact O-N 3.17Å; F504-G507 WeakPolarHBondContact O-CA 3.38Å; F504-G507 PolarHBondContact O-N 3.43Å; F505-G507 VanDerWaalsContact C-N 3.3Å
508	I	59.5	Low	67.5	Low	23 Å²	23	86 Å²	86	12%	0.118	46%	0.456	C	S	.	.	S	Bend	trans	-96	131.2	-171.7	-61.8	171.2	0	0	0	112.1	R183 F504 E512 A513 V516	R183-I508 VanDerWaalsContact CZ-O 3.27Å; R183-I508 PolarHBondContact NH1-O 3.22Å; R183-I508 PolarHBondContact NH2-O 2.9Å; F504-I508 HydrophobicContact CD1-CD1 3.77Å; F504-I508 HydrophobicContact CD2-CD1 4.45Å; F504-I508 HydrophobicContact CE1-CD1 3.28Å; F504-I508 HydrophobicContact CE2-CD1 4.03Å; F504-I508 HydrophobicContact CG-CD1 4.34Å; F504-I508 HydrophobicContact CZ-CD1 3.43Å; F504-I508 VanDerWaalsContact CZ-CD1 3.43Å; F504-I508 PolarHBondContact O-N 3.4Å; I508-E512 HydrophobicContact CG2-CB 3.36Å; I508-A513 HydrophobicContact CG2-CB 3.94Å; I508-A513 VanDerWaalsContact CG2-N 3.29Å; I508-V516 HydrophobicContact CD1-CG2 4.36Å
509	S	57.1	Low	67.9	Low	42 Å²	42	86 Å²	86	29%	0.294	46%	0.456	S	S	.	.			trans	-62.6	161.8	178.4	87.1	0	0	0	0	111.2	E511 E512 A513	S509-E511 PolarHBondContact O-N 3.24Å; S509-E511 PolarHBondContact OG-N 3.3Å; S509-E512 PolarHBondContact N-OE2 2.83Å; S509-E512 PolarHBondContact O-N 3.48Å; S509-E512 VanDerWaalsContact OG-CG 3.29Å; S509-E512 WeakPolarHBondContact OG-CG 3.37Å; S509-E512 PolarHBondContact OG-N 2.83Å; S509-A513 VanDerWaalsContact O-CB 3.29Å; S509-A513 WeakPolarHBondContact O-CB 3.29Å; S509-A513 PolarHBondContact O-N 2.84Å
510	K	57.8	Low	68.5	Low	189 Å²	189	85.8 Å²	85.8	82%	0.822	46%	0.462	S	S	*	.	H	α-helix	trans	-57.7	-34.8	174.5	-80.9	-173.2	177.4	-178.4	0	111.5
511	E	60.6	Low	69.1	Low	169 Å²	169	86.3 Å²	86.3	79%	0.79	46%	0.463	S	S	*	.	H	α-helix	trans	-71.4	-36.8	179.9	-62.9	174.7	-171.1	0	0	111.6	S509 P515	S509-E511 PolarHBondContact O-N 3.24Å; S509-E511 PolarHBondContact OG-N 3.3Å; E511-P515 WeakPolarHBondContact O-CD 3.2Å
512	E	60.2	Low	70.1	Confident	112 Å²	112	86.6 Å²	86.6	52%	0.523	47%	0.465	S	S	.	.	H	α-helix	trans	-80.7	-23.7	176.4	-66.6	168.5	166.6	0	0	113	I508 S509 P515 V516	I508-E512 HydrophobicContact CG2-CB 3.36Å; S509-E512 PolarHBondContact N-OE2 2.83Å; S509-E512 PolarHBondContact O-N 3.48Å; S509-E512 VanDerWaalsContact OG-CG 3.29Å; S509-E512 WeakPolarHBondContact OG-CG 3.37Å; S509-E512 PolarHBondContact OG-N 2.83Å; E512-P515 WeakPolarHBondContact O-CD 3.27Å; E512-V516 WeakPolarHBondContact O-CG2 3.33Å
513	A	65.7	Low	71.2	Confident	20 Å²	20	87.2 Å²	87.2	17%	0.165	47%	0.471	C	S	.	.	H	α-helix	trans	-71.3	-35.4	-178.6	0	0	0	0	0	111.7	I508 S509 V516 V517	I508-A513 HydrophobicContact CG2-CB 3.94Å; I508-A513 VanDerWaalsContact CG2-N 3.29Å; S509-A513 VanDerWaalsContact O-CB 3.29Å; S509-A513 WeakPolarHBondContact O-CB 3.29Å; S509-A513 PolarHBondContact O-N 2.84Å; A513-V516 PolarHBondContact O-N 3.36Å; A513-V517 WeakPolarHBondContact O-CB 3.43Å; A513-V517 VanDerWaalsContact O-CG2 3.28Å; A513-V517 WeakPolarHBondContact O-CG2 3.28Å; A513-V517 PolarHBondContact O-N 3Å
514	L	71.9	Confident	72.4	Confident	131 Å²	131	84.3 Å²	84.3	69%	0.686	46%	0.462	S	S	*	.	H	α-helix	trans	-59	-48.3	179.3	-75.1	170.6	0	0	0	112.6	V516 V517 S518	L514-V516 PolarHBondContact O-N 3.37Å; L514-V517 PolarHBondContact O-N 3.08Å; L514-S518 VanDerWaalsContact O-CB 3.27Å; L514-S518 WeakPolarHBondContact O-CB 3.4Å; L514-S518 PolarHBondContact O-N 2.92Å
515	P	75.9	Confident	73.7	Confident	72 Å²	72	83 Å²	83	47%	0.468	46%	0.464	S	S	.	.	H	α-helix	trans	-56.3	-46.2	171	-25.1	28.8	0	0	0	113.3	E511 E512 V517 S518 V519	E511-P515 WeakPolarHBondContact O-CD 3.2Å; E512-P515 WeakPolarHBondContact O-CD 3.27Å; P515-V517 PolarHBondContact O-N 2.98Å; P515-S518 WeakPolarHBondContact O-CB 3.47Å; P515-S518 PolarHBondContact O-N 3.31Å; P515-V519 WeakPolarHBondContact O-CB 3.31Å; P515-V519 VanDerWaalsContact O-CG2 3.25Å; P515-V519 WeakPolarHBondContact O-CG2 3.38Å; P515-V519 PolarHBondContact O-N 3.46Å
516	V	74.1	Confident	75.2	Confident	48 Å²	48	84 Å²	84	29%	0.291	47%	0.472	S	S	.	.	H	α-helix	trans	-65.3	-43.3	-177.9	177	0	0	0	0	111	F504 I508 E512 A513 L514 S518 V519 V520	F504-V516 HydrophobicContact CE1-CG1 4.33Å; I508-V516 HydrophobicContact CD1-CG2 4.36Å; E512-V516 WeakPolarHBondContact O-CG2 3.33Å; A513-V516 PolarHBondContact O-N 3.36Å; L514-V516 PolarHBondContact O-N 3.37Å; V516-S518 VanDerWaalsContact C-N 3.33Å; V516-S518 PolarHBondContact O-N 3.32Å; V516-V519 PolarHBondContact O-N 2.8Å; V516-V520 WeakPolarHBondContact O-CG2 3.45Å; V516-V520 PolarHBondContact O-N 3.36Å
517	V	80	Confident	76.7	Confident	74 Å²	74	87.6 Å²	87.6	45%	0.448	49%	0.49	S	S	.	.	H	α-helix	trans	-63.4	-40.6	174.8	172.4	0	0	0	0	110.7	F505 A513 L514 P515 V520 A521	F505-V517 HydrophobicContact CE1-CG2 4.05Å; F505-V517 HydrophobicContact CZ-CG2 4.45Å; A513-V517 WeakPolarHBondContact O-CB 3.43Å; A513-V517 VanDerWaalsContact O-CG2 3.28Å; A513-V517 WeakPolarHBondContact O-CG2 3.28Å; A513-V517 PolarHBondContact O-N 3Å; L514-V517 PolarHBondContact O-N 3.08Å; P515-V517 PolarHBondContact O-N 2.98Å; V517-V520 PolarHBondContact O-N 3.38Å; V517-A521 WeakPolarHBondContact O-CB 3.37Å; V517-A521 PolarHBondContact O-N 2.87Å
518	S	81.4	Confident	78.5	Confident	70 Å²	70	90.1 Å²	90.1	49%	0.49	49%	0.489	S	S	.	.	H	α-helix	trans	-62.5	-42.3	175.7	-178.1	0	0	0	0	112.1	L514 P515 V516 A521 T522	L514-S518 VanDerWaalsContact O-CB 3.27Å; L514-S518 WeakPolarHBondContact O-CB 3.4Å; L514-S518 PolarHBondContact O-N 2.92Å; P515-S518 WeakPolarHBondContact O-CB 3.47Å; P515-S518 PolarHBondContact O-N 3.31Å; V516-S518 VanDerWaalsContact C-N 3.33Å; V516-S518 PolarHBondContact O-N 3.32Å; S518-A521 PolarHBondContact O-N 2.81Å; S518-T522 WeakPolarHBondContact O-CB 3.49Å; S518-T522 PolarHBondContact O-N 3.38Å; S518-T522 PolarHBondContact O-OG1 3.05Å
519	V	85.6	Confident	80.1	Confident	73 Å²	73	95.3 Å²	95.3	44%	0.442	51%	0.511	S	S	.	.	H	α-helix	trans	-64.1	-46.5	175.5	170.5	0	0	0	0	110.9	P515 V516 T522 F523	P515-V519 WeakPolarHBondContact O-CB 3.31Å; P515-V519 VanDerWaalsContact O-CG2 3.25Å; P515-V519 WeakPolarHBondContact O-CG2 3.38Å; P515-V519 PolarHBondContact O-N 3.46Å; V516-V519 PolarHBondContact O-N 2.8Å; V519-T522 VanDerWaalsContact CA-OG1 3.26Å; V519-T522 WeakPolarHBondContact CA-OG1 3.31Å; V519-T522 PolarHBondContact O-N 3.26Å; V519-T522 PolarHBondContact O-OG1 3.25Å; V519-F523 HydrophobicContact CG1-CD2 3.73Å; V519-F523 HydrophobicContact CG1-CE2 3.47Å; V519-F523 VanDerWaalsContact CG1-CE2 3.47Å; V519-F523 WeakPolarHBondContact O-CD2 3.23Å; V519-F523 PolarHBondContact O-N 2.79Å
520	V	84.3	Confident	81.7	Confident	83 Å²	83	95.1 Å²	95.1	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-64.7	-43.6	177.5	173.8	0	0	0	0	111.2	V516 V517 T522 F523 V524	V516-V520 WeakPolarHBondContact O-CG2 3.45Å; V516-V520 PolarHBondContact O-N 3.36Å; V517-V520 PolarHBondContact O-N 3.38Å; V520-T522 VanDerWaalsContact C-N 3.34Å; V520-T522 PolarHBondContact O-N 2.9Å; V520-F523 PolarHBondContact O-N 3.07Å; V520-V524 WeakPolarHBondContact O-CG2 3.42Å; V520-V524 PolarHBondContact O-N 2.98Å
521	A	87.2	Confident	83.2	Confident	49 Å²	49	88.1 Å²	88.1	41%	0.405	50%	0.497	S	S	.	.	H	α-helix	trans	-62.4	-41.3	177.5	0	0	0	0	0	111.7	V517 S518 V524 V525	V517-A521 WeakPolarHBondContact O-CB 3.37Å; V517-A521 PolarHBondContact O-N 2.87Å; S518-A521 PolarHBondContact O-N 2.81Å; A521-V524 PolarHBondContact O-N 3.07Å; A521-V525 WeakPolarHBondContact O-CG2 3.45Å; A521-V525 PolarHBondContact O-N 2.72Å
522	T	92	Very high	84.7	Confident	71 Å²	71	85.4 Å²	85.4	44%	0.436	49%	0.487	S	S	.	.	H	α-helix	trans	-64.5	-41.6	174.6	37.8	0	0	0	0	111.8	S518 V519 V520 V524 V525 I526	S518-T522 WeakPolarHBondContact O-CB 3.49Å; S518-T522 PolarHBondContact O-N 3.38Å; S518-T522 PolarHBondContact O-OG1 3.05Å; V519-T522 VanDerWaalsContact CA-OG1 3.26Å; V519-T522 WeakPolarHBondContact CA-OG1 3.31Å; V519-T522 PolarHBondContact O-N 3.26Å; V519-T522 PolarHBondContact O-OG1 3.25Å; V520-T522 VanDerWaalsContact C-N 3.34Å; V520-T522 PolarHBondContact O-N 2.9Å; T522-V524 VanDerWaalsContact C-N 3.34Å; T522-V524 PolarHBondContact O-N 3.47Å; T522-V525 PolarHBondContact O-N 2.8Å; T522-I526 WeakPolarHBondContact O-CB 3.05Å; T522-I526 WeakPolarHBondContact O-CD1 3.12Å; T522-I526 WeakPolarHBondContact O-CG1 3.48Å; T522-I526 PolarHBondContact O-N 3.31Å
523	F	91.1	Very high	85.9	Confident	115 Å²	115	84.9 Å²	84.9	50%	0.504	49%	0.487	S	S	.	.	H	α-helix	trans	-59.2	-43.9	172	-81.4	-65.1	0	0	0	112.2	V519 V520 V525 I526 F527	V519-F523 HydrophobicContact CG1-CD2 3.73Å; V519-F523 HydrophobicContact CG1-CE2 3.47Å; V519-F523 VanDerWaalsContact CG1-CE2 3.47Å; V519-F523 WeakPolarHBondContact O-CD2 3.23Å; V519-F523 PolarHBondContact O-N 2.79Å; V520-F523 PolarHBondContact O-N 3.07Å; F523-V525 PolarHBondContact O-N 3.31Å; F523-I526 PolarHBondContact O-N 3.04Å; F523-F527 VanDerWaalsContact O-CD2 3.27Å; F523-F527 WeakPolarHBondContact O-CD2 3.23Å; F523-F527 PolarHBondContact O-N 2.79Å
524	V	92.3	Very high	86.9	Confident	79 Å²	79	89.6 Å²	89.6	48%	0.479	51%	0.506	S	S	.	.	H	α-helix	trans	-61.9	-44.6	177.3	171.7	0	0	0	0	111.3	V520 A521 T522 I526 F527 L528	V520-V524 WeakPolarHBondContact O-CG2 3.42Å; V520-V524 PolarHBondContact O-N 2.98Å; A521-V524 PolarHBondContact O-N 3.07Å; T522-V524 VanDerWaalsContact C-N 3.34Å; T522-V524 PolarHBondContact O-N 3.47Å; V524-I526 VanDerWaalsContact C-N 3.35Å; V524-I526 PolarHBondContact O-N 2.79Å; V524-F527 PolarHBondContact O-N 3.44Å; V524-L528 HydrophobicContact CG1-CD1 3.92Å; V524-L528 HydrophobicContact CG1-CG 4.34Å; V524-L528 WeakPolarHBondContact O-CB 3.37Å; V524-L528 VanDerWaalsContact O-CG 3.32Å; V524-L528 WeakPolarHBondContact O-CG 3.38Å; V524-L528 PolarHBondContact O-N 3.49Å
525	V	94.4	Very high	87.4	Confident	91 Å²	91	91.6 Å²	91.6	55%	0.552	51%	0.505	S	S	*	.	H	α-helix	trans	-61.8	-43.1	175.9	172.1	0	0	0	0	111	A521 T522 F523 F527 L528 F529	A521-V525 WeakPolarHBondContact O-CG2 3.45Å; A521-V525 PolarHBondContact O-N 2.72Å; T522-V525 PolarHBondContact O-N 2.8Å; F523-V525 PolarHBondContact O-N 3.31Å; V525-F527 PolarHBondContact O-N 2.82Å; V525-L528 PolarHBondContact O-N 2.8Å; V525-F529 VanDerWaalsContact O-CB 3.32Å; V525-F529 WeakPolarHBondContact O-CB 3.23Å; V525-F529 PolarHBondContact O-N 3.44Å
526	I	92.9	Very high	87.8	Confident	109 Å²	109	90.6 Å²	90.6	56%	0.559	50%	0.503	S	S	*	.	H	α-helix	trans	-61.1	-44.1	176	-69.6	163.5	0	0	0	110.8	T522 F523 V524 G530	T522-I526 WeakPolarHBondContact O-CB 3.05Å; T522-I526 WeakPolarHBondContact O-CD1 3.12Å; T522-I526 WeakPolarHBondContact O-CG1 3.48Å; T522-I526 PolarHBondContact O-N 3.31Å; F523-I526 PolarHBondContact O-N 3.04Å; V524-I526 VanDerWaalsContact C-N 3.35Å; V524-I526 PolarHBondContact O-N 2.79Å; I526-G530 PolarHBondContact O-N 2.88Å
527	F	91.4	Very high	88.1	Confident	159 Å²	159	90.4 Å²	90.4	70%	0.697	51%	0.507	S	S	*	.	H	α-helix	trans	-66.3	-40.9	177.5	-90.8	-73.8	0	0	0	112.5	F523 V524 V525 G531	F523-F527 VanDerWaalsContact O-CD2 3.27Å; F523-F527 WeakPolarHBondContact O-CD2 3.23Å; F523-F527 PolarHBondContact O-N 2.79Å; V524-F527 PolarHBondContact O-N 3.44Å; V525-F527 PolarHBondContact O-N 2.82Å; F527-G531 PolarHBondContact O-N 3.2Å
528	L	92.9	Very high	88	Confident	114 Å²	114	89.7 Å²	89.7	60%	0.597	50%	0.5	S	S	*	.	H	α-helix	trans	-65.5	-45.4	176.3	-73.2	172.7	0	0	0	111.5	V524 V525 G531 L532	V524-L528 HydrophobicContact CG1-CD1 3.92Å; V524-L528 HydrophobicContact CG1-CG 4.34Å; V524-L528 WeakPolarHBondContact O-CB 3.37Å; V524-L528 VanDerWaalsContact O-CG 3.32Å; V524-L528 WeakPolarHBondContact O-CG 3.38Å; V524-L528 PolarHBondContact O-N 3.49Å; V525-L528 PolarHBondContact O-N 2.8Å; L528-G531 PolarHBondContact O-N 3.24Å; L528-L532 WeakPolarHBondContact O-CB 3.42Å; L528-L532 WeakPolarHBondContact O-CG 3.25Å; L528-L532 PolarHBondContact O-N 3.08Å
529	F	93.1	Very high	87.8	Confident	132 Å²	132	88.5 Å²	88.5	58%	0.579	49%	0.494	S	S	*	.	H	α-helix	trans	-68	-42.3	178.8	-153.8	-95.7	0	0	0	111.4	V525 G531 L532 L533	V525-F529 VanDerWaalsContact O-CB 3.32Å; V525-F529 WeakPolarHBondContact O-CB 3.23Å; V525-F529 PolarHBondContact O-N 3.44Å; F529-G531 VanDerWaalsContact C-N 3.34Å; F529-G531 PolarHBondContact O-N 3.27Å; F529-L532 PolarHBondContact O-N 3.11Å; F529-L533 HydrophobicContact CD1-CD1 3.7Å; F529-L533 HydrophobicContact CD1-CG 4.03Å; F529-L533 HydrophobicContact CE1-CD1 3.8Å; F529-L533 HydrophobicContact CE1-CD2 4.31Å; F529-L533 HydrophobicContact CE1-CG 4.06Å; F529-L533 WeakPolarHBondContact O-CB 3.32Å; F529-L533 WeakPolarHBondContact O-CG 3.39Å; F529-L533 PolarHBondContact O-N 2.95Å
530	G	90.3	Very high	87.1	Confident	38 Å²	38	91 Å²	91	39%	0.392	50%	0.502	S	S	.	.	H	α-helix	trans	-61.9	-40.2	173.3	0	0	0	0	0	112.6	I526 H534	I526-G530 PolarHBondContact O-N 2.88Å; G530-H534 WeakPolarHBondContact O-CB 3.02Å; G530-H534 PolarHBondContact O-N 2.91Å
531	G	90.6	Very high	86.2	Confident	41 Å²	41	93.7 Å²	93.7	42%	0.423	51%	0.508	S	S	.	.	H	α-helix	trans	-64.9	-42.1	174	0	0	0	0	0	112.8	F527 L528 F529 H534 Y535	F527-G531 PolarHBondContact O-N 3.2Å; L528-G531 PolarHBondContact O-N 3.24Å; F529-G531 VanDerWaalsContact C-N 3.34Å; F529-G531 PolarHBondContact O-N 3.27Å; G531-H534 PolarHBondContact O-N 2.87Å; G531-Y535 WeakPolarHBondContact O-CB 3.27Å; G531-Y535 PolarHBondContact O-N 2.8Å
532	L	91.1	Very high	84.9	Confident	113 Å²	113	97.4 Å²	97.4	59%	0.592	52%	0.517	S	S	*	.	H	α-helix	trans	-64.8	-44	174.8	-80.4	165.7	0	0	0	112.2	L528 F529 Y535 A536	L528-L532 WeakPolarHBondContact O-CB 3.42Å; L528-L532 WeakPolarHBondContact O-CG 3.25Å; L528-L532 PolarHBondContact O-N 3.08Å; F529-L532 PolarHBondContact O-N 3.11Å; L532-Y535 PolarHBondContact O-N 3.49Å; L532-A536 WeakPolarHBondContact O-CB 3.41Å; L532-A536 PolarHBondContact O-N 2.82Å
533	L	86.9	Confident	83.1	Confident	100 Å²	100	97 Å²	97	52%	0.524	52%	0.517	S	S	.	.	H	α-helix	trans	-63.5	-41.4	175.4	-73.1	175.7	0	0	0	111.5	F529 Y535 A536 A537	F529-L533 HydrophobicContact CD1-CD1 3.7Å; F529-L533 HydrophobicContact CD1-CG 4.03Å; F529-L533 HydrophobicContact CE1-CD1 3.8Å; F529-L533 HydrophobicContact CE1-CD2 4.31Å; F529-L533 HydrophobicContact CE1-CG 4.06Å; F529-L533 WeakPolarHBondContact O-CB 3.32Å; F529-L533 WeakPolarHBondContact O-CG 3.39Å; F529-L533 PolarHBondContact O-N 2.95Å; L533-Y535 VanDerWaalsContact C-N 3.34Å; L533-A536 PolarHBondContact O-N 2.82Å; L533-A537 WeakPolarHBondContact O-CB 3.4Å; L533-A537 PolarHBondContact O-N 3.17Å
534	H	85	Confident	81.2	Confident	120 Å²	120	98 Å²	98	56%	0.556	52%	0.524	S	S	*	.	H	α-helix	trans	-63.9	-40.8	175.6	-174	57.3	0	0	0	111.8	G530 G531 N538	G530-H534 WeakPolarHBondContact O-CB 3.02Å; G530-H534 PolarHBondContact O-N 2.91Å; G531-H534 PolarHBondContact O-N 2.87Å; H534-N538 PolarHBondContact CE1-ND2 3.44Å; H534-N538 PolarHBondContact NE2-ND2 3.4Å; H534-N538 VanDerWaalsContact NE2-ND2 3.13Å; H534-N538 WeakPolarHBondContact O-CB 3.12Å; H534-N538 PolarHBondContact O-N 3.47Å; H534-N538 PolarHBondContact O-ND2 3.09Å; H534-N538 PolarHBondContact O-OD1 2.83Å
535	Y	84.1	Confident	79.2	Confident	173 Å²	173	97.6 Å²	97.6	68%	0.678	52%	0.524	S	S	*	.	H	α-helix	trans	-63.6	-45.7	174.3	179.2	-95.8	0	0	0	112.1	G531 L532 L533 N538 A539	G531-Y535 WeakPolarHBondContact O-CB 3.27Å; G531-Y535 PolarHBondContact O-N 2.8Å; L532-Y535 PolarHBondContact O-N 3.49Å; L533-Y535 VanDerWaalsContact C-N 3.34Å; Y535-N538 PolarHBondContact O-N 2.64Å; Y535-A539 WeakPolarHBondContact O-CB 2.98Å; Y535-A539 PolarHBondContact O-N 2.78Å
536	A	83	Confident	77.1	Confident	50 Å²	50	103 Å²	103	41%	0.413	53%	0.534	S	S	.	.	H	α-helix	trans	-63.6	-44	178.6	0	0	0	0	0	112.2	L532 L533 A539 E540	L532-A536 WeakPolarHBondContact O-CB 3.41Å; L532-A536 PolarHBondContact O-N 2.82Å; L533-A536 PolarHBondContact O-N 2.82Å; A536-A539 WeakPolarHBondContact O-CB 3.37Å; A536-A539 PolarHBondContact O-N 3.48Å; A536-E540 PolarHBondContact O-N 3Å
537	A	79.8	Confident	74.9	Confident	45 Å²	45	105.1 Å²	105.1	37%	0.372	55%	0.546	S	S	.	.	H	α-helix	trans	-61.8	-44.8	176.2	0	0	0	0	0	111.8	L533 A539 E540 E541	L533-A537 WeakPolarHBondContact O-CB 3.4Å; L533-A537 PolarHBondContact O-N 3.17Å; A537-A539 VanDerWaalsContact C-N 3.28Å; A537-A539 PolarHBondContact O-N 3.08Å; A537-E540 PolarHBondContact O-N 2.83Å; A537-E541 PolarHBondContact O-N 2.85Å
538	N	78.9	Confident	72.4	Confident	59 Å²	59	101.9 Å²	101.9	32%	0.316	54%	0.544	S	S	.	.	H	α-helix	trans	-65.2	-32.8	176.2	-68.5	-10.3	0	0	0	112	H534 Y535 Q542	H534-N538 PolarHBondContact CE1-ND2 3.44Å; H534-N538 PolarHBondContact NE2-ND2 3.4Å; H534-N538 VanDerWaalsContact NE2-ND2 3.13Å; H534-N538 WeakPolarHBondContact O-CB 3.12Å; H534-N538 PolarHBondContact O-N 3.47Å; H534-N538 PolarHBondContact O-ND2 3.09Å; H534-N538 PolarHBondContact O-OD1 2.83Å; Y535-N538 PolarHBondContact O-N 2.64Å; N538-Q542 VanDerWaalsContact O-CG 3.31Å; N538-Q542 WeakPolarHBondContact O-CG 2.93Å; N538-Q542 PolarHBondContact O-N 3.29Å; N538-Q542 VanDerWaalsContact O-N 3.13Å
539	A	76.4	Confident	69.7	Low	44 Å²	44	102 Å²	102	36%	0.364	55%	0.551	S	S	.	*	H	α-helix	trans	-70.2	-37.3	175	0	0	0	0	0	112.3	Y535 A536 A537 Q542 S543	Y535-A539 WeakPolarHBondContact O-CB 2.98Å; Y535-A539 PolarHBondContact O-N 2.78Å; A536-A539 WeakPolarHBondContact O-CB 3.37Å; A536-A539 PolarHBondContact O-N 3.48Å; A537-A539 VanDerWaalsContact C-N 3.28Å; A537-A539 PolarHBondContact O-N 3.08Å; A539-Q542 PolarHBondContact O-N 3Å; A539-S543 PolarHBondContact O-N 3.37Å
540	E	71.6	Confident	67	Low	127 Å²	127	100.9 Å²	100.9	59%	0.593	56%	0.56	S	S	*	*	H	α-helix	trans	-67.3	-42.2	172.5	-88.1	-174.6	164.2	0	0	112.7	A536 A537 Q542 S543 Q544	A536-E540 PolarHBondContact O-N 3Å; A537-E540 PolarHBondContact O-N 2.83Å; E540-Q542 PolarHBondContact O-N 2.87Å; E540-S543 WeakPolarHBondContact CA-OG 3.34Å; E540-S543 PolarHBondContact O-N 2.88Å; E540-S543 VanDerWaalsContact O-N 3.07Å; E540-S543 PolarHBondContact O-OG 3.3Å; E540-Q544 PolarHBondContact O-N 3.41Å
541	E	64.7	Low	64.6	Low	138 Å²	138	104.1 Å²	104.1	65%	0.645	58%	0.576	S	S	*	*	H	α-helix	trans	-60.6	-36.5	174.2	-74.7	-174.5	175.1	0	0	111.3	A537 S545	A537-E541 PolarHBondContact O-N 2.85Å; E541-S545 WeakPolarHBondContact O-CB 3.28Å; E541-S545 PolarHBondContact O-N 2.97Å; E541-S545 PolarHBondContact O-OG 3.36Å
542	Q	60	Low	61.9	Low	127 Å²	127	113.6 Å²	113.6	59%	0.593	60%	0.599	S	S	*	*	H	α-helix	trans	-71.6	-26.7	174.3	-74.9	-179.2	10.9	0	0	113.9	N538 A539 E540 S545	N538-Q542 VanDerWaalsContact O-CG 3.31Å; N538-Q542 WeakPolarHBondContact O-CG 2.93Å; N538-Q542 PolarHBondContact O-N 3.29Å; N538-Q542 VanDerWaalsContact O-N 3.13Å; A539-Q542 PolarHBondContact O-N 3Å; E540-Q542 PolarHBondContact O-N 2.87Å; Q542-S545 WeakPolarHBondContact CA-OG 3.48Å; Q542-S545 PolarHBondContact O-OG 3.06Å
543	S	54	Low	59.5	Low	62 Å²	62	112.8 Å²	112.8	43%	0.434	60%	0.603	S	S	.	*	H	α-helix	trans	-83.4	-41.7	177.9	69.5	0	0	0	0	111.9	A539 E540 S545 R546	A539-S543 PolarHBondContact O-N 3.37Å; E540-S543 WeakPolarHBondContact CA-OG 3.34Å; E540-S543 PolarHBondContact O-N 2.88Å; E540-S543 VanDerWaalsContact O-N 3.07Å; E540-S543 PolarHBondContact O-OG 3.3Å; S543-S545 VanDerWaalsContact C-N 3.34Å; S543-S545 PolarHBondContact O-N 3.19Å; S543-R546 PolarHBondContact O-N 3.49Å
544	Q	52.4	Low	57.3	Low	138 Å²	138	112.8 Å²	112.8	65%	0.645	61%	0.612	S	S	*	*	H	α-helix	trans	-66.6	-35	176.8	-71.5	-174.2	1.8	0	0	112.3	E540 R546 L547	E540-Q544 PolarHBondContact O-N 3.41Å; Q544-R546 PolarHBondContact O-N 3.04Å; Q544-R546 VanDerWaalsContact O-N 3.15Å; Q544-L547 PolarHBondContact O-N 3.2Å; Q544-L547 VanDerWaalsContact O-N 3.15Å
545	S	50	Low	55.2	Low	69 Å²	69	116 Å²	116	48%	0.483	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.1	-12.8	175.8	52.6	0	0	0	0	114.4	E541 Q542 S543	E541-S545 WeakPolarHBondContact O-CB 3.28Å; E541-S545 PolarHBondContact O-N 2.97Å; E541-S545 PolarHBondContact O-OG 3.36Å; Q542-S545 WeakPolarHBondContact CA-OG 3.48Å; Q542-S545 PolarHBondContact O-OG 3.06Å; S543-S545 VanDerWaalsContact C-N 3.34Å; S543-S545 PolarHBondContact O-N 3.19Å
546	R	49.6	Very low	53.5	Low	204 Å²	204	111.4 Å²	111.4	77%	0.77	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-19.7	173.8	-67.8	-178.4	-174.8	-167.9	1.3	113.9	S543 Q544	S543-R546 PolarHBondContact O-N 3.49Å; Q544-R546 PolarHBondContact O-N 3.04Å; Q544-R546 VanDerWaalsContact O-N 3.15Å
547	L	46.3	Very low	52.1	Low	155 Å²	155	114.7 Å²	114.7	81%	0.812	64%	0.638	S	S	*	*	S	Bend	trans	-93.5	0.6	-172.6	-79.4	165.8	0	0	0	115.2	Q544	Q544-L547 PolarHBondContact O-N 3.2Å; Q544-L547 VanDerWaalsContact O-N 3.15Å
548	S	39.9	Very low	51.3	Low	91 Å²	91	117.9 Å²	117.9	64%	0.636	65%	0.649	S	S	*	*			trans	-132	86.7	175.8	55.2	0	0	0	0	111.6
549	P	36.4	Very low	50.7	Low	115 Å²	115	119.1 Å²	119.1	75%	0.747	65%	0.651	S	S	*	*			trans	-91.2	-4.6	-177.7	13	2.7	0	0	0	115.1
550	S	36.2	Very low	50.2	Low	110 Å²	110	121.1 Å²	121.1	77%	0.769	66%	0.66	S	S	*	*	S	Bend	trans	-114.4	67.4	-169.7	63.9	0	0	0	0	114.3
551	S	40.5	Very low	50	Low	105 Å²	105	117.7 Å²	117.7	73%	0.734	65%	0.654	S	S	*	*			trans	174.4	70	149.8	58	0	0	0	0	110.2	S553	S551-S553 VanDerWaalsContact C-N 3.31Å
552	R	33.2	Very low	50.4	Low	240 Å²	240	113 Å²	113	91%	0.906	64%	0.635	S	S	*	*			trans	-93	23.4	172.2	-88.6	-173.2	-177.7	175.4	2.6	113.3	S554	R552-S554 PolarHBondContact O-N 2.76Å
553	S	39.6	Very low	51.1	Low	97 Å²	97	107.7 Å²	107.7	68%	0.678	61%	0.61	S	S	*	*	S	Bend	trans	-82.7	108.2	171	55.7	0	0	0	0	110.2	S551	S551-S553 VanDerWaalsContact C-N 3.31Å
554	S	41.4	Very low	52	Low	100 Å²	100	109 Å²	109	70%	0.699	62%	0.619	S	S	*	*			trans	65.3	111.7	169.6	68.2	0	0	0	0	117.1	R552 A556	R552-S554 PolarHBondContact O-N 2.76Å; S554-A556 PolarHBondContact O-N 3.02Å
555	L	42	Very low	53.2	Low	187 Å²	187	111.9 Å²	111.9	98%	0.979	62%	0.624	S	S	*	*			trans	-63.7	39.1	166.3	-77.6	152.4	0	0	0	113	M557	L555-M557 PolarHBondContact O-N 2.85Å
556	A	47.3	Very low	54.8	Low	77 Å²	77	110.5 Å²	110.5	64%	0.636	61%	0.611	S	S	*	*			trans	-68.1	103.9	161.6	0	0	0	0	0	105.7	S554 D558	S554-A556 PolarHBondContact O-N 3.02Å; A556-D558 PolarHBondContact O-N 2.97Å
557	M	54.4	Low	56.8	Low	119 Å²	119	101.1 Å²	101.1	59%	0.586	58%	0.576	S	S	*	*			trans	-45.4	114.1	165.9	-97.3	168.8	68.5	0	0	107	L555 K559 V562	L555-M557 PolarHBondContact O-N 2.85Å; M557-K559 VanDerWaalsContact C-N 3.31Å; M557-K559 PolarHBondContact O-N 3.4Å; M557-V562 HydrophobicContact CB-CG2 4.47Å; M557-V562 HydrophobicContact CE-CG1 4.23Å; M557-V562 HydrophobicContact CE-CG2 3.68Å
558	D	62.3	Low	59	Low	112 Å²	112	100.7 Å²	100.7	60%	0.599	56%	0.564	S	S	*	*			trans	-65.8	97.7	-175.8	-159.6	12.5	0	0	0	107.5	A556 P560 A561 V562	A556-D558 PolarHBondContact O-N 2.97Å; D558-P560 VanDerWaalsContact OD1-CD 3.26Å; D558-P560 WeakPolarHBondContact OD1-CD 3.17Å; D558-A561 HydrophobicContact CB-CB 4.39Å; D558-A561 PolarHBondContact O-N 3.43Å; D558-V562 PolarHBondContact O-N 2.97Å
559	K	67.2	Low	61.4	Low	85 Å²	85	97.6 Å²	97.6	37%	0.37	54%	0.539	S	S	.	.	H	α-helix	trans	-50	-39.7	-172.3	-172.1	179.7	175.5	-167	0	112.3	M557 A561 V562 L563 D607 W610	M557-K559 VanDerWaalsContact C-N 3.31Å; M557-K559 PolarHBondContact O-N 3.4Å; K559-A561 PolarHBondContact O-N 3.22Å; K559-V562 PolarHBondContact O-N 3.47Å; K559-L563 VanDerWaalsContact O-CB 3.25Å; K559-L563 WeakPolarHBondContact O-CB 3.27Å; K559-L563 PolarHBondContact O-N 2.94Å; K559-D607 WeakPolarHBondContact CE-OD1 3.38Å; K559-D607 VanDerWaalsContact NZ-CG 3.33Å; K559-D607 IonicContact NZ-OD1 3.29Å; K559-D607 PolarHBondContact NZ-OD1 3.2Å; K559-D607 IonicContact NZ-OD2 3.4Å; K559-W610 HydrophobicContact CB-CH2 4.39Å; K559-W610 HydrophobicContact CG-CE3 4.32Å; K559-W610 HydrophobicContact CG-CH2 3.74Å; K559-W610 HydrophobicContact CG-CZ2 4.17Å; K559-W610 HydrophobicContact CG-CZ3 3.82Å
560	P	64.2	Low	64	Low	85 Å²	85	92.1 Å²	92.1	55%	0.552	50%	0.504	S	S	*	.	H	α-helix	trans	-61.2	-42.5	176.5	-19.8	32.2	0	0	0	113.4	D558 L563 S564	D558-P560 VanDerWaalsContact OD1-CD 3.26Å; D558-P560 WeakPolarHBondContact OD1-CD 3.17Å; P560-L563 PolarHBondContact O-N 3.04Å; P560-S564 PolarHBondContact O-N 3Å; P560-S564 PolarHBondContact O-OG 2.75Å
561	A	68.2	Low	66.5	Low	55 Å²	55	92 Å²	92	46%	0.455	49%	0.486	S	S	.	.	H	α-helix	trans	-69.1	-36.3	-179.3	0	0	0	0	0	112.1	D558 K559 L563 S564 R565	D558-A561 HydrophobicContact CB-CB 4.39Å; D558-A561 PolarHBondContact O-N 3.43Å; K559-A561 PolarHBondContact O-N 3.22Å; A561-L563 VanDerWaalsContact C-N 3.35Å; A561-S564 PolarHBondContact O-OG 3.1Å; A561-R565 PolarHBondContact O-N 3.31Å
562	V	72.5	Confident	68.6	Low	41 Å²	41	88.7 Å²	88.7	25%	0.248	47%	0.465	C	S	.	.	H	α-helix	trans	-67.9	-40.6	173.2	179.2	0	0	0	0	110.3	M557 D558 K559 R565 L566 W610	M557-V562 HydrophobicContact CB-CG2 4.47Å; M557-V562 HydrophobicContact CE-CG1 4.23Å; M557-V562 HydrophobicContact CE-CG2 3.68Å; D558-V562 PolarHBondContact O-N 2.97Å; K559-V562 PolarHBondContact O-N 3.47Å; V562-R565 PolarHBondContact O-N 3.14Å; V562-L566 WeakPolarHBondContact O-CB 3.38Å; V562-L566 PolarHBondContact O-N 3.47Å; V562-W610 HydrophobicContact CB-CH2 3.97Å; V562-W610 HydrophobicContact CB-CZ3 4.26Å; V562-W610 HydrophobicContact CG1-CH2 3.76Å; V562-W610 HydrophobicContact CG1-CZ3 3.95Å
563	L	74.7	Confident	71	Confident	15 Å²	15	84 Å²	84	8%	0.079	45%	0.454	C	S	.	.	H	α-helix	trans	-66.6	-42.5	-178.4	-165.2	73.1	0	0	0	112.3	K559 P560 A561 R565 L566 I567 W610	K559-L563 VanDerWaalsContact O-CB 3.25Å; K559-L563 WeakPolarHBondContact O-CB 3.27Å; K559-L563 PolarHBondContact O-N 2.94Å; P560-L563 PolarHBondContact O-N 3.04Å; A561-L563 VanDerWaalsContact C-N 3.35Å; L563-R565 PolarHBondContact O-N 2.81Å; L563-L566 PolarHBondContact O-N 2.84Å; L563-L566 VanDerWaalsContact O-N 3.09Å; L563-I567 HydrophobicContact CD1-CD1 3.68Å; L563-I567 HydrophobicContact CD1-CG1 4.14Å; L563-I567 HydrophobicContact CD2-CD1 4.31Å; L563-I567 HydrophobicContact CG-CD1 3.83Å; L563-I567 HydrophobicContact CG-CG1 4.32Å; L563-I567 PolarHBondContact O-N 3.2Å; L563-W610 HydrophobicContact CD1-CE3 4.44Å
564	S	74.1	Confident	73.3	Confident	88 Å²	88	80.7 Å²	80.7	62%	0.615	43%	0.43	S	S	*	.	H	α-helix	trans	-63.7	-30.6	176.6	67.4	0	0	0	0	112.7	P560 A561	P560-S564 PolarHBondContact O-N 3Å; P560-S564 PolarHBondContact O-OG 2.75Å; A561-S564 PolarHBondContact O-OG 3.1Å
565	R	77.6	Confident	75.6	Confident	199 Å²	199	76.2 Å²	76.2	75%	0.751	40%	0.398	S	S	*	.	H	α-helix	trans	-77	-32	173.1	-176.4	177.6	159.2	105.7	-1.4	112.6	A561 V562 L563	A561-R565 PolarHBondContact O-N 3.31Å; V562-R565 PolarHBondContact O-N 3.14Å; L563-R565 PolarHBondContact O-N 2.81Å
566	L	84.3	Confident	77.7	Confident	40 Å²	40	72.1 Å²	72.1	21%	0.209	37%	0.372	C	S	.	.	H	α-helix	trans	-79.3	-43.5	-176.7	-174.1	71.5	0	0	0	112.5	V562 L563 I609 R613 F620	V562-L566 WeakPolarHBondContact O-CB 3.38Å; V562-L566 PolarHBondContact O-N 3.47Å; L563-L566 PolarHBondContact O-N 2.84Å; L563-L566 VanDerWaalsContact O-N 3.09Å; L566-I609 HydrophobicContact CD2-CD1 4.2Å; L566-R613 HydrophobicContact CD1-CB 4.23Å; L566-R613 HydrophobicContact CD2-CB 3.68Å; L566-F620 HydrophobicContact CD1-CD2 3.95Å; L566-F620 HydrophobicContact CD1-CE2 4.31Å; L566-F620 HydrophobicContact CD2-CD2 4.17Å; L566-F620 HydrophobicContact CG-CD2 3.89Å
567	I	91.3	Very high	79.6	Confident	7 Å²	7	70.4 Å²	70.4	4%	0.036	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	111	-177.5	-52.7	178.9	0	0	0	109.1	L563 V602 F605 I609 F620 Y622	L563-I567 HydrophobicContact CD1-CD1 3.68Å; L563-I567 HydrophobicContact CD1-CG1 4.14Å; L563-I567 HydrophobicContact CD2-CD1 4.31Å; L563-I567 HydrophobicContact CG-CD1 3.83Å; L563-I567 HydrophobicContact CG-CG1 4.32Å; L563-I567 PolarHBondContact O-N 3.2Å; I567-V602 HydrophobicContact CB-CG1 4.43Å; I567-V602 HydrophobicContact CD1-CG1 3.86Å; I567-V602 HydrophobicContact CG2-CG1 4.23Å; I567-F605 HydrophobicContact CD1-CD1 3.92Å; I567-I609 HydrophobicContact CD1-CD1 4.06Å; I567-I609 HydrophobicContact CG1-CD1 4Å; I567-F620 WeakPolarHBondContact CA-O 3.18Å; I567-F620 HydrophobicContact CG1-CB 4.25Å; I567-Y622 HydrophobicContact CG2-CD1 3.91Å
568	R	90.7	Very high	81.3	Confident	146 Å²	146	65.2 Å²	65.2	55%	0.551	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	148.4	179.3	-66.2	-173.9	176.7	-161.9	-3.3	112.2	L570 M578 F620 G621 Y622	R568-L570 PolarHBondContact O-N 3.43Å; R568-M578 HydrophobicContact CB-SD 4.19Å; R568-F620 PolarHBondContact N-O 2.82Å; R568-F620 VanDerWaalsContact N-O 3.14Å; R568-G621 CarbonylContact O-C 3.49Å; R568-G621 WeakPolarHBondContact O-CA 3.4Å; R568-Y622 PolarHBondContact O-N 2.86Å
569	E	92.3	Very high	82.6	Confident	27 Å²	27	59.9 Å²	59.9	13%	0.126	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	133.6	170.6	-165	178.2	-177.3	0	0	110	R571 T574 Y622 M624	E569-R571 HydrophobicContact CB-CG 4.07Å; E569-R571 HydrophobicContact CG-CG 3.65Å; E569-R571 PolarHBondContact O-N 2.92Å; E569-R571 WeakPolarHBondContact OE2-CD 3.46Å; E569-R571 IonicContact OE2-CZ 2.67Å; E569-R571 IonicContact OE2-NE 3.5Å; E569-R571 IonicContact OE2-NH1 3.32Å; E569-R571 PolarHBondContact OE2-NH1 2.84Å; E569-T574 PolarHBondContact O-OG1 3.47Å; E569-Y622 WeakPolarHBondContact CA-O 3.48Å; E569-Y622 HydrophobicContact CB-CE1 3.86Å; E569-Y622 HydrophobicContact CB-CE2 3.9Å; E569-Y622 VanDerWaalsContact CB-CZ 3.5Å; E569-Y622 HydrophobicContact CG-CD2 4.22Å; E569-Y622 HydrophobicContact CG-CE1 4.46Å; E569-Y622 HydrophobicContact CG-CE2 3.58Å; E569-M624 WeakPolarHBondContact OE1-CG 3.46Å
570	L	90.2	Very high	83.4	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.315	C	S	.	.			trans	-80.8	100.7	169.8	-166.7	73.5	0	0	0	108.7	R568 Y575 M578 V579 Y622 L623 W631 V758	R568-L570 PolarHBondContact O-N 3.43Å; L570-Y575 HydrophobicContact CD1-CD2 4.13Å; L570-Y575 HydrophobicContact CD2-CD2 4.28Å; L570-Y575 HydrophobicContact CG-CD2 4.28Å; L570-M578 HydrophobicContact CD1-CB 3.67Å; L570-M578 HydrophobicContact CD1-CE 4.19Å; L570-M578 HydrophobicContact CD1-CG 4.38Å; L570-M578 HydrophobicContact CD1-SD 3.97Å; L570-V579 HydrophobicContact CD1-CG2 4.04Å; L570-V579 HydrophobicContact CD2-CG2 4.48Å; L570-Y622 PolarHBondContact N-O 2.92Å; L570-L623 HydrophobicContact CB-CD1 3.87Å; L570-L623 HydrophobicContact CD2-CD1 3.92Å; L570-L623 HydrophobicContact CG-CD1 4.26Å; L570-W631 HydrophobicContact CD2-CH2 4.33Å; L570-V758 HydrophobicContact CD2-CG2 4.48Å
571	R	88.9	Confident	84.4	Confident	106 Å²	106	64.5 Å²	64.5	40%	0.4	32%	0.321	S	S	.	.			trans	-122.3	169.6	177.4	-61.5	-166.6	-63.4	-124.3	6.3	109.7	E569 E573 T574 Y575	E569-R571 HydrophobicContact CB-CG 4.07Å; E569-R571 HydrophobicContact CG-CG 3.65Å; E569-R571 PolarHBondContact O-N 2.92Å; E569-R571 WeakPolarHBondContact OE2-CD 3.46Å; E569-R571 IonicContact OE2-CZ 2.67Å; E569-R571 IonicContact OE2-NE 3.5Å; E569-R571 IonicContact OE2-NH1 3.32Å; E569-R571 PolarHBondContact OE2-NH1 2.84Å; R571-E573 WeakPolarHBondContact CB-OE2 3.22Å; R571-E573 IonicContact CZ-OE2 3.85Å; R571-E573 IonicContact NE-OE2 3.85Å; R571-E573 PolarHBondContact NE-OE2 2.94Å; R571-E573 IonicContact NH2-OE2 3.54Å; R571-E573 PolarHBondContact O-N 3.41Å; R571-E573 VanDerWaalsContact O-N 3.1Å; R571-T574 PolarHBondContact N-OG1 3.15Å; R571-T574 PolarHBondContact O-N 3.31Å; R571-T574 PolarHBondContact O-OG1 3.18Å; R571-Y575 VanDerWaalsContact O-CB 3.25Å; R571-Y575 WeakPolarHBondContact O-CB 3.49Å; R571-Y575 PolarHBondContact O-N 3.03Å
572	A	84.3	Confident	85.2	Confident	36 Å²	36	62.5 Å²	62.5	30%	0.298	30%	0.302	S	S	.	.	H	α-helix	trans	-48.7	-39.3	174.8	0	0	0	0	0	113.2
573	E	84.4	Confident	85.9	Confident	141 Å²	141	68.2 Å²	68.2	66%	0.659	32%	0.324	S	S	*	.	H	α-helix	trans	-74.2	-33.3	-178.8	-42.8	85.1	-169.3	0	0	113.2	R571	R571-E573 WeakPolarHBondContact CB-OE2 3.22Å; R571-E573 IonicContact CZ-OE2 3.85Å; R571-E573 IonicContact NE-OE2 3.85Å; R571-E573 PolarHBondContact NE-OE2 2.94Å; R571-E573 IonicContact NH2-OE2 3.54Å; R571-E573 PolarHBondContact O-N 3.41Å; R571-E573 VanDerWaalsContact O-N 3.1Å
574	T	88.1	Confident	86.5	Confident	28 Å²	28	71.7 Å²	71.7	17%	0.172	35%	0.347	C	S	.	.	H	α-helix	trans	-89.6	-18.7	180	59.1	0	0	0	0	112.4	E569 R571 F576 G577 M578	E569-T574 PolarHBondContact O-OG1 3.47Å; R571-T574 PolarHBondContact N-OG1 3.15Å; R571-T574 PolarHBondContact O-N 3.31Å; R571-T574 PolarHBondContact O-OG1 3.18Å; T574-F576 PolarHBondContact O-N 2.92Å; T574-G577 PolarHBondContact O-N 2.85Å; T574-M578 WeakPolarHBondContact O-CB 3.42Å; T574-M578 WeakPolarHBondContact O-CG 3.28Å; T574-M578 PolarHBondContact O-N 3.33Å
575	Y	89.2	Confident	87.1	Confident	7 Å²	7	70.1 Å²	70.1	3%	0.027	35%	0.345	C	S	.	.	H	α-helix	trans	-56.9	-44.4	-174.3	-175.1	-118.9	0	0	0	113.6	L570 R571 G577 M578 V579 R580 W631 W755 P756 V758	L570-Y575 HydrophobicContact CD1-CD2 4.13Å; L570-Y575 HydrophobicContact CD2-CD2 4.28Å; L570-Y575 HydrophobicContact CG-CD2 4.28Å; R571-Y575 VanDerWaalsContact O-CB 3.25Å; R571-Y575 WeakPolarHBondContact O-CB 3.49Å; R571-Y575 PolarHBondContact O-N 3.03Å; Y575-G577 PolarHBondContact O-N 3.46Å; Y575-M578 PolarHBondContact O-N 2.86Å; Y575-V579 HydrophobicContact CD2-CB 4.05Å; Y575-V579 HydrophobicContact CD2-CG2 3.75Å; Y575-V579 HydrophobicContact CE2-CB 3.76Å; Y575-V579 HydrophobicContact CE2-CG1 4.06Å; Y575-V579 HydrophobicContact CE2-CG2 3.6Å; Y575-V579 WeakPolarHBondContact O-CB 2.88Å; Y575-V579 PolarHBondContact O-N 3.2Å; Y575-R580 HydrophobicContact CD1-CG 4.39Å; Y575-R580 HydrophobicContact CE1-CG 4.04Å; Y575-R580 PolarHBondContact O-N 3.17Å; Y575-W631 HydrophobicContact CE2-CZ2 4.11Å; Y575-W631 AromaticContact CE2-NE1 3.9Å; Y575-W631 AromaticContact CZ-NE1 3.89Å; Y575-W631 PolarHBondContact OH-NE1 2.88Å; Y575-W755 WeakPolarHBondContact OH-CB 3.37Å; Y575-P756 VanDerWaalsContact CZ-O 3.3Å; Y575-P756 PolarHBondContact OH-O 2.9Å; Y575-V758 HydrophobicContact CD1-CB 4.33Å; Y575-V758 HydrophobicContact CD1-CG2 4.33Å; Y575-V758 HydrophobicContact CD2-CB 3.94Å; Y575-V758 HydrophobicContact CD2-CG2 3.25Å; Y575-V758 HydrophobicContact CE1-CG2 4.37Å; Y575-V758 HydrophobicContact CE2-CB 4.34Å; Y575-V758 HydrophobicContact CE2-CG2 3.36Å; Y575-V758 HydrophobicContact CG-CB 3.93Å; Y575-V758 HydrophobicContact CG-CG2 3.78Å
576	F	86	Confident	87.8	Confident	101 Å²	101	61.5 Å²	61.5	44%	0.443	32%	0.315	S	S	.	.	I	π-helix	trans	-61.1	-46.4	178.7	-84.6	-86.6	0	0	0	111.8	T574 R580 L581	T574-F576 PolarHBondContact O-N 2.92Å; F576-R580 HydrophobicContact CD1-CB 4.18Å; F576-R580 VanDerWaalsContact CE1-NH1 3.25Å; F576-R580 VanDerWaalsContact CZ-NH1 3.27Å; F576-R580 PolarHBondContact O-N 2.81Å; F576-L581 HydrophobicContact CB-CD1 4.34Å; F576-L581 WeakPolarHBondContact O-CB 3.22Å; F576-L581 PolarHBondContact O-N 2.92Å
577	G	86.5	Confident	88.2	Confident	41 Å²	41	62 Å²	62	42%	0.423	31%	0.314	S	S	.	.	I	π-helix	trans	-73.1	-34.1	179.6	0	0	0	0	0	113.4	T574 Y575 M619	T574-G577 PolarHBondContact O-N 2.85Å; Y575-G577 PolarHBondContact O-N 3.46Å; G577-M619 VanDerWaalsContact O-CE 3.24Å; G577-M619 WeakPolarHBondContact O-CE 3.46Å
578	M	89.7	Confident	88.4	Confident	10 Å²	10	61.7 Å²	61.7	5%	0.049	31%	0.313	C	S	.	.	I	π-helix	trans	-86.2	-21.3	-176.2	-68.4	-174.7	66.8	0	0	114.2	R568 L570 T574 Y575 L582 T588 M619	R568-M578 HydrophobicContact CB-SD 4.19Å; L570-M578 HydrophobicContact CD1-CB 3.67Å; L570-M578 HydrophobicContact CD1-CE 4.19Å; L570-M578 HydrophobicContact CD1-CG 4.38Å; L570-M578 HydrophobicContact CD1-SD 3.97Å; T574-M578 WeakPolarHBondContact O-CB 3.42Å; T574-M578 WeakPolarHBondContact O-CG 3.28Å; T574-M578 PolarHBondContact O-N 3.33Å; Y575-M578 PolarHBondContact O-N 2.86Å; M578-L582 VanDerWaalsContact O-CD1 3.32Å; M578-L582 WeakPolarHBondContact O-CD1 3.13Å; M578-T588 HydrophobicContact CB-CG2 4.26Å; M578-T588 HydrophobicContact CE-CG2 3.6Å; M578-T588 VanDerWaalsContact O-CB 3.26Å; M578-T588 WeakPolarHBondContact O-CB 3.48Å; M578-T588 PolarHBondContact O-OG1 2.85Å; M578-M619 HydrophobicContact CB-CE 4.19Å; M578-M619 HydrophobicContact CG-CE 3.79Å
579	V	89.6	Confident	88.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.287	C	S	.	.	I	π-helix	trans	-128.4	-64.8	-177	-174	0	0	0	0	110.4	L570 Y575 L660 G662 W755	L570-V579 HydrophobicContact CD1-CG2 4.04Å; L570-V579 HydrophobicContact CD2-CG2 4.48Å; Y575-V579 HydrophobicContact CD2-CB 4.05Å; Y575-V579 HydrophobicContact CD2-CG2 3.75Å; Y575-V579 HydrophobicContact CE2-CB 3.76Å; Y575-V579 HydrophobicContact CE2-CG1 4.06Å; Y575-V579 HydrophobicContact CE2-CG2 3.6Å; Y575-V579 WeakPolarHBondContact O-CB 2.88Å; Y575-V579 PolarHBondContact O-N 3.2Å; V579-L660 HydrophobicContact CG2-CD1 3.67Å; V579-G662 WeakPolarHBondContact O-CA 3.3Å; V579-W755 HydrophobicContact CG1-CD2 3.46Å; V579-W755 VanDerWaalsContact CG1-CD2 3.46Å; V579-W755 HydrophobicContact CG1-CE3 3.74Å; V579-W755 HydrophobicContact CG1-CG 3.9Å; V579-W755 HydrophobicContact CG1-CH2 4.34Å; V579-W755 HydrophobicContact CG1-CZ2 4.08Å; V579-W755 HydrophobicContact CG1-CZ3 4.18Å
580	R	85.2	Confident	88.9	Confident	139 Å²	139	53.5 Å²	53.5	53%	0.525	28%	0.281	S	S	.	.	I	π-helix	trans	-70.9	-37.9	-166.4	-63.5	-177.4	69.5	175.3	5.9	114.9	Y575 F576	Y575-R580 HydrophobicContact CD1-CG 4.39Å; Y575-R580 HydrophobicContact CE1-CG 4.04Å; Y575-R580 PolarHBondContact O-N 3.17Å; F576-R580 HydrophobicContact CD1-CB 4.18Å; F576-R580 VanDerWaalsContact CE1-NH1 3.25Å; F576-R580 VanDerWaalsContact CZ-NH1 3.27Å; F576-R580 PolarHBondContact O-N 2.81Å
581	L	85.6	Confident	89.2	Confident	128 Å²	128	53.5 Å²	53.5	67%	0.67	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	19.8	-173.7	-60.9	177.3	0	0	0	113.1	F576 K583	F576-L581 HydrophobicContact CB-CD1 4.34Å; F576-L581 WeakPolarHBondContact O-CB 3.22Å; F576-L581 PolarHBondContact O-N 2.92Å; L581-K583 PolarHBondContact O-N 2.8Å
582	L	84.3	Confident	89.5	Confident	13 Å²	13	48.5 Å²	48.5	7%	0.068	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-61.7	131.9	174.9	-74	176.1	0	0	0	110.7	M578 C586 M619	M578-L582 VanDerWaalsContact O-CD1 3.32Å; M578-L582 WeakPolarHBondContact O-CD1 3.13Å; L582-C586 HydrophobicContact CB-CB 4.31Å; L582-C586 HydrophobicContact CD2-CB 4.14Å; L582-M619 HydrophobicContact CD2-CE 3.91Å
583	K	86.6	Confident	90	Very high	160 Å²	160	46.8 Å²	46.8	70%	0.696	25%	0.248	S	C	*	.	P	Polyproline II helix	trans	-62.8	153.2	173.9	-65.6	-176.2	-178.6	-179.5	0	110.7	L581 G585 C586	L581-K583 PolarHBondContact O-N 2.8Å; K583-G585 PolarHBondContact O-N 3Å; K583-C586 VanDerWaalsContact O-CB 3.31Å; K583-C586 WeakPolarHBondContact O-CB 3.46Å; K583-C586 PolarHBondContact O-N 2.89Å
584	P	88.4	Confident	90.4	Very high	88 Å²	88	41.7 Å²	41.7	57%	0.571	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.3	131.7	172.1	-25.5	32.3	0	0	0	111.8	C586 F663	P584-C586 VanDerWaalsContact C-N 3.33Å; P584-F663 HydrophobicContact CB-CD1 4.07Å; P584-F663 HydrophobicContact CB-CD2 4.47Å; P584-F663 HydrophobicContact CB-CE1 4.08Å; P584-F663 HydrophobicContact CB-CE2 4.48Å; P584-F663 HydrophobicContact CB-CG 4.28Å; P584-F663 HydrophobicContact CB-CZ 4.29Å; P584-F663 HydrophobicContact CG-CD1 4.29Å; P584-F663 HydrophobicContact CG-CD2 3.86Å; P584-F663 HydrophobicContact CG-CE1 4.15Å; P584-F663 HydrophobicContact CG-CE2 3.71Å; P584-F663 HydrophobicContact CG-CG 4.15Å; P584-F663 HydrophobicContact CG-CZ 3.86Å
585	G	86	Confident	90.5	Very high	56 Å²	56	43 Å²	43	58%	0.577	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	87	-9	-178.2	0	0	0	0	0	115.3	K583	K583-G585 PolarHBondContact O-N 3Å
586	C	92	Very high	90.5	Very high	18 Å²	18	49.7 Å²	49.7	12%	0.122	28%	0.275	C	S	.	.			trans	-87.3	148.3	177.3	-58.2	0	0	0	0	112.3	L582 K583 P584 T617	L582-C586 HydrophobicContact CB-CB 4.31Å; L582-C586 HydrophobicContact CD2-CB 4.14Å; K583-C586 VanDerWaalsContact O-CB 3.31Å; K583-C586 WeakPolarHBondContact O-CB 3.46Å; K583-C586 PolarHBondContact O-N 2.89Å; P584-C586 VanDerWaalsContact C-N 3.33Å; C586-T617 CarbonylContact C-O 3.51Å; C586-T617 WeakPolarHBondContact CA-O 3.38Å
587	R	93	Very high	90.7	Very high	50 Å²	50	45 Å²	45	19%	0.189	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	151.2	176.3	-61.8	177.1	-177	151.2	1.9	110.6	T617 L618 M619 L660 Y666	R587-T617 PolarHBondContact N-O 2.71Å; R587-L618 HydrophobicContact CB-CD2 4.12Å; R587-L618 WeakPolarHBondContact O-CA 3.41Å; R587-M619 PolarHBondContact O-N 2.98Å; R587-L660 VanDerWaalsContact CA-O 3.31Å; R587-L660 WeakPolarHBondContact CA-O 3.46Å; R587-Y666 PolarHBondContact NE-OH 2.81Å; R587-Y666 PolarHBondContact NH2-OH 2.84Å
588	T	95.5	Very high	91	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.7	175	-60.3	0	0	0	0	110.3	M578 V590 M619 A659 L660	M578-T588 HydrophobicContact CB-CG2 4.26Å; M578-T588 HydrophobicContact CE-CG2 3.6Å; M578-T588 VanDerWaalsContact O-CB 3.26Å; M578-T588 WeakPolarHBondContact O-CB 3.48Å; M578-T588 PolarHBondContact O-OG1 2.85Å; T588-V590 HydrophobicContact CG2-CG2 3.71Å; T588-M619 CarbonylContact C-O 3.59Å; T588-M619 VanDerWaalsContact CA-O 3.31Å; T588-M619 WeakPolarHBondContact CA-O 3.49Å; T588-M619 HydrophobicContact CG2-CB 4.22Å; T588-A659 CarbonylContact O-C 3.47Å; T588-A659 WeakPolarHBondContact O-CA 3.34Å; T588-L660 PolarHBondContact N-O 2.67Å; T588-L660 PolarHBondContact O-N 3.49Å
589	L	96.8	Very high	91	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.9	175	-67.3	167.8	0	0	0	109.5	F605 M619 F620 G621 L658 A659 W738 L739 L742 F743	L589-F605 HydrophobicContact CB-CZ 3.85Å; L589-M619 PolarHBondContact N-O 2.83Å; L589-F620 HydrophobicContact CB-CD1 4.09Å; L589-F620 HydrophobicContact CD1-CD1 4.12Å; L589-F620 HydrophobicContact CD1-CE1 3.78Å; L589-F620 CarbonylContact O-C 3.41Å; L589-F620 WeakPolarHBondContact O-CA 3.21Å; L589-G621 PolarHBondContact O-N 2.82Å; L589-L658 CarbonylContact C-O 3.51Å; L589-L658 VanDerWaalsContact CA-O 3.29Å; L589-L658 WeakPolarHBondContact CA-O 3.41Å; L589-A659 HydrophobicContact CD2-CB 3.53Å; L589-W738 HydrophobicContact CD2-CZ3 4.42Å; L589-L739 HydrophobicContact CD1-CD2 3.96Å; L589-L739 HydrophobicContact CD2-CD2 4.26Å; L589-L742 HydrophobicContact CD2-CD2 3.74Å; L589-F743 HydrophobicContact CD1-CZ 4.36Å
590	V	95.8	Very high	91	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	122.4	-174.6	-174.2	0	0	0	0	110.3	T588 G621 L623 V657 L658 L660	T588-V590 HydrophobicContact CG2-CG2 3.71Å; V590-G621 VanDerWaalsContact CA-O 3.31Å; V590-G621 WeakPolarHBondContact CA-O 3.44Å; V590-L623 HydrophobicContact CG1-CB 3.69Å; V590-V657 CarbonylContact O-C 3.51Å; V590-V657 WeakPolarHBondContact O-CA 3.44Å; V590-L658 PolarHBondContact N-O 2.77Å; V590-L658 PolarHBondContact O-N 2.96Å; V590-L660 HydrophobicContact CG2-CD1 4Å
591	V	96.4	Very high	91.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	134.7	172.6	62.9	0	0	0	0	111.1	L601 F605 G621 Y622 L623 V657 L732	V591-L601 HydrophobicContact CG2-CB 4.48Å; V591-F605 HydrophobicContact CB-CB 4.49Å; V591-F605 HydrophobicContact CB-CD1 4.22Å; V591-F605 HydrophobicContact CB-CD2 4.35Å; V591-F605 HydrophobicContact CB-CG 4.12Å; V591-F605 HydrophobicContact CG1-CB 4.17Å; V591-F605 HydrophobicContact CG1-CD1 3.73Å; V591-F605 HydrophobicContact CG1-CE1 4.28Å; V591-F605 HydrophobicContact CG1-CG 3.95Å; V591-G621 PolarHBondContact N-O 3.15Å; V591-G621 VanDerWaalsContact N-O 3.08Å; V591-Y622 CarbonylContact O-C 3.56Å; V591-Y622 WeakPolarHBondContact O-CA 3.49Å; V591-L623 PolarHBondContact O-N 3.35Å; V591-V657 HydrophobicContact CB-CG2 4.1Å; V591-V657 HydrophobicContact CG2-CG2 4.01Å; V591-L732 HydrophobicContact CG2-CD2 4.42Å
592	L	95.2	Very high	91.7	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	126	176.9	-81.6	70.3	0	0	0	109.7	L623 V625 F632 V653 G655 T656 L658	L592-L623 HydrophobicContact CD1-CB 4.33Å; L592-L623 HydrophobicContact CD1-CD2 4.29Å; L592-L623 HydrophobicContact CD2-CD2 4.25Å; L592-L623 HydrophobicContact CG-CB 4.2Å; L592-L623 HydrophobicContact CG-CD2 4.01Å; L592-V625 HydrophobicContact CB-CG2 3.89Å; L592-V625 HydrophobicContact CD2-CG2 4.42Å; L592-V625 HydrophobicContact CG-CG2 4.4Å; L592-F632 HydrophobicContact CD2-CB 4.45Å; L592-F632 HydrophobicContact CD2-CD1 4.23Å; L592-F632 HydrophobicContact CD2-CD2 3.76Å; L592-F632 HydrophobicContact CD2-CE1 4.43Å; L592-F632 HydrophobicContact CD2-CE2 3.99Å; L592-F632 HydrophobicContact CD2-CG 3.87Å; L592-F632 HydrophobicContact CD2-CZ 4.31Å; L592-V653 HydrophobicContact CB-CG1 4.41Å; L592-V653 HydrophobicContact CD2-CG1 3.31Å; L592-V653 HydrophobicContact CG-CG1 4.47Å; L592-G655 PolarHBondContact O-N 3.45Å; L592-T656 PolarHBondContact N-O 3.2Å; L592-L658 HydrophobicContact CD1-CD1 3.88Å; L592-L658 HydrophobicContact CD1-CG 4.05Å
593	C	94.9	Very high	91.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	158.5	-179.4	56.2	0	0	0	0	111.4	K598 L601 L623 M624 V625	C593-K598 HydrophobicContact CB-CB 4.48Å; C593-L601 HydrophobicContact CB-CB 4.43Å; C593-L601 HydrophobicContact CB-CD1 3.89Å; C593-L623 PolarHBondContact N-O 3.33Å; C593-M624 CarbonylContact O-C 3.48Å; C593-M624 WeakPolarHBondContact O-CA 3Å; C593-V625 WeakPolarHBondContact O-CG2 3.41Å; C593-V625 PolarHBondContact O-N 3.05Å
594	D	92.7	Very high	92.1	Very high	34 Å²	34	38.9 Å²	38.9	18%	0.182	23%	0.234	C	C	.	.			trans	-104.7	178.8	170.2	67.3	8.8	0	0	0	110.5	N596 S597 K598 V654	D594-N596 PolarHBondContact O-N 3.03Å; D594-N596 PolarHBondContact OD1-N 3.49Å; D594-N596 VanDerWaalsContact OD1-N 3.14Å; D594-S597 PolarHBondContact N-OG 3.34Å; D594-S597 PolarHBondContact O-N 3.48Å; D594-S597 WeakPolarHBondContact OD1-CB 3.36Å; D594-S597 PolarHBondContact OD1-N 3.02Å; D594-S597 PolarHBondContact OD1-OG 2.76Å; D594-K598 WeakPolarHBondContact O-CB 3.31Å; D594-K598 PolarHBondContact O-N 3.43Å; D594-V654 HydrophobicContact CB-CG2 4.26Å
595	A	90.2	Very high	92.4	Very high	55 Å²	55	34.7 Å²	34.7	46%	0.455	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-30.7	-179.5	0	0	0	0	0	113.6	M624 E626	A595-M624 HydrophobicContact CB-CE 4.47Å; A595-E626 WeakPolarHBondContact CB-OE1 3.41Å; A595-E626 PolarHBondContact N-OE1 3.08Å; A595-E626 VanDerWaalsContact N-OE1 3.15Å
596	N	89.7	Confident	92.7	Very high	148 Å²	148	32 Å²	32	79%	0.791	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-29.7	-175.2	-61.8	-36.2	0	0	0	113.2	D594	D594-N596 PolarHBondContact O-N 3.03Å; D594-N596 PolarHBondContact OD1-N 3.49Å; D594-N596 VanDerWaalsContact OD1-N 3.14Å
597	S	90.9	Very high	92.6	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.021	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-12	-175.7	59.6	0	0	0	0	113.6	D594 D599 T600 L601 V654	D594-S597 PolarHBondContact N-OG 3.34Å; D594-S597 PolarHBondContact O-N 3.48Å; D594-S597 WeakPolarHBondContact OD1-CB 3.36Å; D594-S597 PolarHBondContact OD1-N 3.02Å; D594-S597 PolarHBondContact OD1-OG 2.76Å; S597-D599 PolarHBondContact O-N 2.89Å; S597-T600 PolarHBondContact O-N 3.18Å; S597-L601 WeakPolarHBondContact O-CB 3.48Å; S597-L601 WeakPolarHBondContact O-CG 3.29Å; S597-L601 PolarHBondContact O-N 3.46Å; S597-V654 WeakPolarHBondContact OG-CG1 3.45Å
598	K	92.7	Very high	92.4	Very high	61 Å²	61	34.4 Å²	34.4	27%	0.265	19%	0.194	S	C	.	.	H	α-helix	trans	-50.5	-56.9	-175.1	178.4	-174.8	175.9	176.3	0	113.1	C593 D594 T600 L601 V602 Y622 M624	C593-K598 HydrophobicContact CB-CB 4.48Å; D594-K598 WeakPolarHBondContact O-CB 3.31Å; D594-K598 PolarHBondContact O-N 3.43Å; K598-T600 VanDerWaalsContact C-N 3.33Å; K598-T600 PolarHBondContact O-N 3.39Å; K598-L601 PolarHBondContact O-N 2.77Å; K598-V602 HydrophobicContact CG-CG2 4.11Å; K598-V602 WeakPolarHBondContact O-CB 3.45Å; K598-V602 WeakPolarHBondContact O-CG2 3.4Å; K598-V602 PolarHBondContact O-N 2.96Å; K598-Y622 HydrophobicContact CD-CE2 4.19Å; K598-Y622 VanDerWaalsContact CE-CZ 3.45Å; K598-Y622 VanDerWaalsContact CE-OH 3.3Å; K598-Y622 WeakPolarHBondContact CE-OH 3.23Å; K598-Y622 PolarHBondContact NZ-OH 3.27Å; K598-M624 HydrophobicContact CD-SD 4.05Å
599	D	88.6	Confident	92.2	Very high	128 Å²	128	34.4 Å²	34.4	68%	0.684	19%	0.194	S	C	*	.	H	α-helix	trans	-63.9	-42.6	-172.3	-65.9	-28.6	0	0	0	111.2	S597 S603	S597-D599 PolarHBondContact O-N 2.89Å; D599-S603 WeakPolarHBondContact O-CB 3.47Å; D599-S603 PolarHBondContact O-N 3.22Å; D599-S603 VanDerWaalsContact O-N 3.08Å
600	T	90	Very high	91.9	Very high	51 Å²	51	37 Å²	37	31%	0.313	20%	0.204	S	C	.	.	H	α-helix	trans	-63.6	-53.2	176.3	-49	0	0	0	0	111.7	S597 K598 S603 Q604 V728 E729	S597-T600 PolarHBondContact O-N 3.18Å; K598-T600 VanDerWaalsContact C-N 3.33Å; K598-T600 PolarHBondContact O-N 3.39Å; T600-S603 PolarHBondContact O-N 3.42Å; T600-Q604 WeakPolarHBondContact O-CB 3.48Å; T600-Q604 VanDerWaalsContact O-CG 3.31Å; T600-Q604 WeakPolarHBondContact O-CG 3.46Å; T600-Q604 PolarHBondContact O-N 2.87Å; T600-V728 HydrophobicContact CG2-CG1 4.33Å; T600-E729 HydrophobicContact CG2-CG 4.33Å
601	L	93.1	Very high	91.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69.8	-39.3	-175.6	-71.1	178.1	0	0	0	112.6	V591 C593 S597 K598 S603 F605 V654 V728 L731 L732	V591-L601 HydrophobicContact CG2-CB 4.48Å; C593-L601 HydrophobicContact CB-CB 4.43Å; C593-L601 HydrophobicContact CB-CD1 3.89Å; S597-L601 WeakPolarHBondContact O-CB 3.48Å; S597-L601 WeakPolarHBondContact O-CG 3.29Å; S597-L601 PolarHBondContact O-N 3.46Å; K598-L601 PolarHBondContact O-N 2.77Å; L601-S603 VanDerWaalsContact C-N 3.35Å; L601-F605 WeakPolarHBondContact O-CA 3.44Å; L601-F605 WeakPolarHBondContact O-CB 3.47Å; L601-F605 PolarHBondContact O-N 2.8Å; L601-V654 HydrophobicContact CD1-CG1 3.58Å; L601-V728 HydrophobicContact CD2-CG1 4.27Å; L601-V728 HydrophobicContact CG-CG1 4.13Å; L601-L731 HydrophobicContact CD2-CB 4.28Å; L601-L731 HydrophobicContact CD2-CD1 4.37Å; L601-L732 HydrophobicContact CD2-CD1 3.96Å; L601-L732 HydrophobicContact CD2-CG 3.89Å
602	V	92.5	Very high	91.1	Very high	22 Å²	22	44.5 Å²	44.5	13%	0.133	24%	0.244	C	C	.	.	H	α-helix	trans	-67.2	-39.3	177.3	172.6	0	0	0	0	110.4	I567 K598 G606 Y622	I567-V602 HydrophobicContact CB-CG1 4.43Å; I567-V602 HydrophobicContact CD1-CG1 3.86Å; I567-V602 HydrophobicContact CG2-CG1 4.23Å; K598-V602 HydrophobicContact CG-CG2 4.11Å; K598-V602 WeakPolarHBondContact O-CB 3.45Å; K598-V602 WeakPolarHBondContact O-CG2 3.4Å; K598-V602 PolarHBondContact O-N 2.96Å; V602-G606 WeakPolarHBondContact O-CA 3.48Å; V602-G606 PolarHBondContact O-N 3.36Å; V602-Y622 HydrophobicContact CG2-CD1 4.06Å; V602-Y622 HydrophobicContact CG2-CG 3.94Å
603	S	89.7	Confident	90.7	Very high	58 Å²	58	48.1 Å²	48.1	41%	0.406	26%	0.257	S	S	.	.	H	α-helix	trans	-64.2	-51.3	174.4	-171.5	0	0	0	0	111.6	D599 T600 L601 G606 D607	D599-S603 WeakPolarHBondContact O-CB 3.47Å; D599-S603 PolarHBondContact O-N 3.22Å; D599-S603 VanDerWaalsContact O-N 3.08Å; T600-S603 PolarHBondContact O-N 3.42Å; L601-S603 VanDerWaalsContact C-N 3.35Å; S603-G606 WeakPolarHBondContact O-CA 3.34Å; S603-G606 PolarHBondContact O-N 3.4Å; S603-D607 PolarHBondContact O-N 3.25Å
604	Q	91.1	Very high	90.2	Very high	42 Å²	42	57.7 Å²	57.7	20%	0.196	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-46.8	178.2	-75	-174.1	-10.9	0	0	112.2	T600 G606 D607 M608 E729 L732	T600-Q604 WeakPolarHBondContact O-CB 3.48Å; T600-Q604 VanDerWaalsContact O-CG 3.31Å; T600-Q604 WeakPolarHBondContact O-CG 3.46Å; T600-Q604 PolarHBondContact O-N 2.87Å; Q604-G606 VanDerWaalsContact C-N 3.26Å; Q604-G606 PolarHBondContact O-N 3.04Å; Q604-D607 PolarHBondContact O-N 3.24Å; Q604-M608 WeakPolarHBondContact O-CG 3.38Å; Q604-M608 PolarHBondContact O-N 3.33Å; Q604-M608 VanDerWaalsContact O-N 3.1Å; Q604-E729 PolarHBondContact NE2-O 2.91Å; Q604-L732 HydrophobicContact CB-CD1 4.02Å
605	F	94.5	Very high	89.9	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-57	-45.5	175.3	178.9	-121.1	0	0	0	110.2	I567 L589 V591 L601 D607 M608 I609 F620 V657 L732 L735	I567-F605 HydrophobicContact CD1-CD1 3.92Å; L589-F605 HydrophobicContact CB-CZ 3.85Å; V591-F605 HydrophobicContact CB-CB 4.49Å; V591-F605 HydrophobicContact CB-CD1 4.22Å; V591-F605 HydrophobicContact CB-CD2 4.35Å; V591-F605 HydrophobicContact CB-CG 4.12Å; V591-F605 HydrophobicContact CG1-CB 4.17Å; V591-F605 HydrophobicContact CG1-CD1 3.73Å; V591-F605 HydrophobicContact CG1-CE1 4.28Å; V591-F605 HydrophobicContact CG1-CG 3.95Å; L601-F605 WeakPolarHBondContact O-CA 3.44Å; L601-F605 WeakPolarHBondContact O-CB 3.47Å; L601-F605 PolarHBondContact O-N 2.8Å; F605-D607 PolarHBondContact O-N 2.9Å; F605-M608 PolarHBondContact O-N 3.27Å; F605-I609 HydrophobicContact CD1-CD1 4.26Å; F605-I609 HydrophobicContact CD2-CG2 4.05Å; F605-I609 HydrophobicContact CE1-CD1 3.98Å; F605-I609 HydrophobicContact CE1-CG2 4.39Å; F605-I609 HydrophobicContact CE2-CG2 3.63Å; F605-I609 HydrophobicContact CZ-CD1 4.4Å; F605-I609 HydrophobicContact CZ-CG2 3.81Å; F605-I609 VanDerWaalsContact O-CG1 3.32Å; F605-I609 WeakPolarHBondContact O-CG1 3.42Å; F605-I609 PolarHBondContact O-N 3.31Å; F605-F620 HydrophobicContact CE1-CB 4.36Å; F605-F620 HydrophobicContact CZ-CD1 4.38Å; F605-V657 HydrophobicContact CE2-CG1 4.09Å; F605-L732 HydrophobicContact CB-CD1 3.99Å; F605-L735 HydrophobicContact CD2-CD2 3.67Å; F605-L735 HydrophobicContact CE2-CD2 4.08Å
606	G	91.3	Very high	89.8	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-55.6	-43.6	175.8	0	0	0	0	0	115	V602 S603 Q604 I609 W610	V602-G606 WeakPolarHBondContact O-CA 3.48Å; V602-G606 PolarHBondContact O-N 3.36Å; S603-G606 WeakPolarHBondContact O-CA 3.34Å; S603-G606 PolarHBondContact O-N 3.4Å; Q604-G606 VanDerWaalsContact C-N 3.26Å; Q604-G606 PolarHBondContact O-N 3.04Å; G606-I609 WeakPolarHBondContact O-CG1 3.48Å; G606-I609 PolarHBondContact O-N 3.44Å; G606-W610 WeakPolarHBondContact O-CB 3.4Å; G606-W610 PolarHBondContact O-N 2.9Å
607	D	89.3	Confident	89.9	Confident	74 Å²	74	62 Å²	62	40%	0.396	30%	0.301	S	S	.	.	H	α-helix	trans	-64.7	-41.3	176.6	-72.2	-11	0	0	0	111.8	K559 S603 Q604 F605 W610	K559-D607 WeakPolarHBondContact CE-OD1 3.38Å; K559-D607 VanDerWaalsContact NZ-CG 3.33Å; K559-D607 IonicContact NZ-OD1 3.29Å; K559-D607 PolarHBondContact NZ-OD1 3.2Å; K559-D607 IonicContact NZ-OD2 3.4Å; S603-D607 PolarHBondContact O-N 3.25Å; Q604-D607 PolarHBondContact O-N 3.24Å; F605-D607 PolarHBondContact O-N 2.9Å; D607-W610 WeakPolarHBondContact O-CB 3.49Å; D607-W610 PolarHBondContact O-N 3.05Å
608	M	90.3	Very high	89.9	Confident	45 Å²	45	62.5 Å²	62.5	22%	0.222	30%	0.304	C	S	.	.	H	α-helix	trans	-69.2	-39.6	179	-64.4	175.9	-167.8	0	0	112	Q604 F605 W610 P611 W612 L732 L735 P736	Q604-M608 WeakPolarHBondContact O-CG 3.38Å; Q604-M608 PolarHBondContact O-N 3.33Å; Q604-M608 VanDerWaalsContact O-N 3.1Å; F605-M608 PolarHBondContact O-N 3.27Å; M608-W610 VanDerWaalsContact C-N 3.32Å; M608-P611 WeakPolarHBondContact O-CD 3.17Å; M608-W612 VanDerWaalsContact O-CZ3 3.24Å; M608-W612 WeakPolarHBondContact O-CZ3 3.12Å; M608-L732 HydrophobicContact CE-CB 3.64Å; M608-L732 WeakPolarHBondContact CE-O 3.33Å; M608-L732 HydrophobicContact SD-CB 3.96Å; M608-L735 HydrophobicContact SD-CB 3.89Å; M608-L735 HydrophobicContact SD-CD2 3.79Å; M608-L735 HydrophobicContact SD-CG 4.25Å; M608-P736 HydrophobicContact CG-CG 4.16Å; M608-P736 HydrophobicContact SD-CG 3.97Å
609	I	91.2	Very high	90	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-83.5	-8.9	180	66.8	170	0	0	0	113.8	L566 I567 F605 G606 P611 W612 F620	L566-I609 HydrophobicContact CD2-CD1 4.2Å; I567-I609 HydrophobicContact CD1-CD1 4.06Å; I567-I609 HydrophobicContact CG1-CD1 4Å; F605-I609 HydrophobicContact CD1-CD1 4.26Å; F605-I609 HydrophobicContact CD2-CG2 4.05Å; F605-I609 HydrophobicContact CE1-CD1 3.98Å; F605-I609 HydrophobicContact CE1-CG2 4.39Å; F605-I609 HydrophobicContact CE2-CG2 3.63Å; F605-I609 HydrophobicContact CZ-CD1 4.4Å; F605-I609 HydrophobicContact CZ-CG2 3.81Å; F605-I609 VanDerWaalsContact O-CG1 3.32Å; F605-I609 WeakPolarHBondContact O-CG1 3.42Å; F605-I609 PolarHBondContact O-N 3.31Å; G606-I609 WeakPolarHBondContact O-CG1 3.48Å; G606-I609 PolarHBondContact O-N 3.44Å; I609-P611 VanDerWaalsContact C-N 3.29Å; I609-P611 VanDerWaalsContact O-N 3.15Å; I609-W612 PolarHBondContact O-N 2.93Å; I609-F620 HydrophobicContact CB-CD1 3.93Å; I609-F620 HydrophobicContact CB-CE1 3.66Å; I609-F620 HydrophobicContact CB-CZ 4.23Å; I609-F620 HydrophobicContact CD1-CB 3.55Å; I609-F620 HydrophobicContact CD1-CD1 3.28Å; I609-F620 HydrophobicContact CD1-CD2 3.9Å; I609-F620 HydrophobicContact CD1-CE1 3.85Å; I609-F620 HydrophobicContact CD1-CE2 4.41Å; I609-F620 HydrophobicContact CD1-CG 3.29Å; I609-F620 HydrophobicContact CD1-CZ 4.38Å; I609-F620 HydrophobicContact CG1-CD1 4.16Å; I609-F620 HydrophobicContact CG1-CE1 4.28Å; I609-F620 HydrophobicContact CG1-CG 4.47Å; I609-F620 HydrophobicContact CG2-CD1 3.92Å; I609-F620 HydrophobicContact CG2-CE1 3.81Å
610	W	89.1	Confident	90.3	Very high	56 Å²	56	57.2 Å²	57.2	21%	0.212	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-50.1	-39.1	-174	-170.4	-105.7	0	0	0	114.7	K559 V562 L563 G606 D607 M608 W612 R613	K559-W610 HydrophobicContact CB-CH2 4.39Å; K559-W610 HydrophobicContact CG-CE3 4.32Å; K559-W610 HydrophobicContact CG-CH2 3.74Å; K559-W610 HydrophobicContact CG-CZ2 4.17Å; K559-W610 HydrophobicContact CG-CZ3 3.82Å; V562-W610 HydrophobicContact CB-CH2 3.97Å; V562-W610 HydrophobicContact CB-CZ3 4.26Å; V562-W610 HydrophobicContact CG1-CH2 3.76Å; V562-W610 HydrophobicContact CG1-CZ3 3.95Å; L563-W610 HydrophobicContact CD1-CE3 4.44Å; G606-W610 WeakPolarHBondContact O-CB 3.4Å; G606-W610 PolarHBondContact O-N 2.9Å; D607-W610 WeakPolarHBondContact O-CB 3.49Å; D607-W610 PolarHBondContact O-N 3.05Å; M608-W610 VanDerWaalsContact C-N 3.32Å; W610-W612 PolarHBondContact O-N 3.15Å; W610-R613 WeakPolarHBondContact O-CB 3.16Å; W610-R613 WeakPolarHBondContact O-CD 3.4Å; W610-R613 WeakPolarHBondContact O-CG 3.37Å; W610-R613 PolarHBondContact O-N 3.18Å; W610-R613 PolarHBondContact O-NH1 2.91Å
611	P	88.4	Confident	90.5	Very high	90 Å²	90	54.8 Å²	54.8	58%	0.584	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-57.9	-31.9	175.5	-26	37.1	0	0	0	113.4	M608 I609	M608-P611 WeakPolarHBondContact O-CD 3.17Å; I609-P611 VanDerWaalsContact C-N 3.29Å; I609-P611 VanDerWaalsContact O-N 3.15Å
612	W	87.9	Confident	90.6	Very high	67 Å²	67	56 Å²	56	25%	0.254	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-95.3	5.6	-175.9	-60.3	-75.9	0	0	0	114.6	M608 I609 W610 R614 N615 L618 F620 L739 F743	M608-W612 VanDerWaalsContact O-CZ3 3.24Å; M608-W612 WeakPolarHBondContact O-CZ3 3.12Å; I609-W612 PolarHBondContact O-N 2.93Å; W610-W612 PolarHBondContact O-N 3.15Å; W612-R614 PolarHBondContact O-N 3.01Å; W612-N615 HydrophobicContact CB-CB 4.5Å; W612-N615 VanDerWaalsContact O-CB 3.23Å; W612-N615 WeakPolarHBondContact O-CB 3.5Å; W612-N615 PolarHBondContact O-N 3.07Å; W612-L618 HydrophobicContact CB-CD1 4Å; W612-L618 HydrophobicContact CG-CD1 4.21Å; W612-F620 HydrophobicContact CB-CZ 3.99Å; W612-L739 HydrophobicContact CH2-CB 4.36Å; W612-L739 HydrophobicContact CH2-CD1 4.4Å; W612-L739 HydrophobicContact CZ3-CD1 3.96Å; W612-F743 HydrophobicContact CD2-CE2 4.06Å; W612-F743 HydrophobicContact CD2-CZ 4.49Å; W612-F743 AromaticContact CE2-CE2 3.62Å; W612-F743 HydrophobicContact CE3-CE2 4.44Å; W612-F743 HydrophobicContact CH2-CE2 4.05Å; W612-F743 AromaticContact CZ2-CD2 3.95Å; W612-F743 HydrophobicContact CZ2-CD2 3.95Å; W612-F743 AromaticContact CZ2-CE2 3.62Å; W612-F743 HydrophobicContact CZ2-CE2 3.62Å; W612-F743 HydrophobicContact CZ3-CE2 4.43Å; W612-F743 AromaticContact NE1-CE2 4Å
613	R	86.2	Confident	90.7	Very high	77 Å²	77	55 Å²	55	29%	0.291	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-24	-176.7	73.3	-168.2	178.3	-74.4	1.7	115.7	L566 W610	L566-R613 HydrophobicContact CD1-CB 4.23Å; L566-R613 HydrophobicContact CD2-CB 3.68Å; W610-R613 WeakPolarHBondContact O-CB 3.16Å; W610-R613 WeakPolarHBondContact O-CD 3.4Å; W610-R613 WeakPolarHBondContact O-CG 3.37Å; W610-R613 PolarHBondContact O-N 3.18Å; W610-R613 PolarHBondContact O-NH1 2.91Å
614	R	84	Confident	90.9	Very high	201 Å²	201	52.9 Å²	52.9	76%	0.758	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-1	178.5	-67.5	-174.5	176.9	170.6	-1	113.2	W612 K616	W612-R614 PolarHBondContact O-N 3.01Å; R614-K616 PolarHBondContact O-N 2.87Å
615	N	87.8	Confident	90.9	Very high	61 Å²	61	51.1 Å²	51.1	33%	0.326	24%	0.236	S	C	.	.			trans	-76.7	112	-179.5	-171.9	-15.4	0	0	0	110.3	W612 T617 L618	W612-N615 HydrophobicContact CB-CB 4.5Å; W612-N615 VanDerWaalsContact O-CB 3.23Å; W612-N615 WeakPolarHBondContact O-CB 3.5Å; W612-N615 PolarHBondContact O-N 3.07Å; N615-T617 VanDerWaalsContact CG-OG1 3.32Å; N615-T617 PolarHBondContact ND2-OG1 2.94Å; N615-T617 PolarHBondContact O-N 2.79Å; N615-T617 VanDerWaalsContact O-N 3.14Å; N615-T617 WeakPolarHBondContact OD1-CB 3.31Å; N615-T617 PolarHBondContact OD1-N 2.94Å; N615-T617 PolarHBondContact OD1-OG1 2.95Å; N615-L618 HydrophobicContact CB-CB 4.47Å; N615-L618 HydrophobicContact CB-CD1 4.36Å; N615-L618 PolarHBondContact O-N 2.83Å
616	K	87.9	Confident	90.5	Very high	204 Å²	204	56.8 Å²	56.8	89%	0.887	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-8.6	-179.7	-60.6	-176.3	-178.2	179	0	114.2	R614	R614-K616 PolarHBondContact O-N 2.87Å
617	T	90.5	Very high	90.3	Very high	61 Å²	61	65.3 Å²	65.3	37%	0.374	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-9.2	179	66.3	0	0	0	0	113.3	C586 R587 N615	C586-T617 CarbonylContact C-O 3.51Å; C586-T617 WeakPolarHBondContact CA-O 3.38Å; R587-T617 PolarHBondContact N-O 2.71Å; N615-T617 VanDerWaalsContact CG-OG1 3.32Å; N615-T617 PolarHBondContact ND2-OG1 2.94Å; N615-T617 PolarHBondContact O-N 2.79Å; N615-T617 VanDerWaalsContact O-N 3.14Å; N615-T617 WeakPolarHBondContact OD1-CB 3.31Å; N615-T617 PolarHBondContact OD1-N 2.94Å; N615-T617 PolarHBondContact OD1-OG1 2.95Å
618	L	92.7	Very high	90.3	Very high	15 Å²	15	62.1 Å²	62.1	8%	0.079	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.4	179.2	-64.9	174.6	0	0	0	110.3	R587 W612 N615 F620 F743	R587-L618 HydrophobicContact CB-CD2 4.12Å; R587-L618 WeakPolarHBondContact O-CA 3.41Å; W612-L618 HydrophobicContact CB-CD1 4Å; W612-L618 HydrophobicContact CG-CD1 4.21Å; N615-L618 HydrophobicContact CB-CB 4.47Å; N615-L618 HydrophobicContact CB-CD1 4.36Å; N615-L618 PolarHBondContact O-N 2.83Å; L618-F620 HydrophobicContact CB-CE1 4.24Å; L618-F620 HydrophobicContact CB-CE2 4.17Å; L618-F620 HydrophobicContact CB-CZ 3.72Å; L618-F620 HydrophobicContact CD1-CZ 4.29Å; L618-F743 HydrophobicContact CD1-CE1 3.77Å; L618-F743 HydrophobicContact CD1-CZ 3.7Å; L618-F743 HydrophobicContact CD2-CE1 3.99Å
619	M	93.4	Very high	90.1	Very high	72 Å²	72	61.5 Å²	61.5	36%	0.355	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	151.2	168.6	-60.5	-133.5	-66.5	0	0	109.5	G577 M578 L582 R587 T588 L589	G577-M619 VanDerWaalsContact O-CE 3.24Å; G577-M619 WeakPolarHBondContact O-CE 3.46Å; M578-M619 HydrophobicContact CB-CE 4.19Å; M578-M619 HydrophobicContact CG-CE 3.79Å; L582-M619 HydrophobicContact CD2-CE 3.91Å; R587-M619 PolarHBondContact O-N 2.98Å; T588-M619 CarbonylContact C-O 3.59Å; T588-M619 VanDerWaalsContact CA-O 3.31Å; T588-M619 WeakPolarHBondContact CA-O 3.49Å; T588-M619 HydrophobicContact CG2-CB 4.22Å; L589-M619 PolarHBondContact N-O 2.83Å
620	F	95.4	Very high	89.9	Confident	6 Å²	6	64.8 Å²	64.8	3%	0.026	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	139.5	-173.1	-52.4	-79.7	0	0	0	110.1	L566 I567 R568 L589 F605 I609 W612 L618	L566-F620 HydrophobicContact CD1-CD2 3.95Å; L566-F620 HydrophobicContact CD1-CE2 4.31Å; L566-F620 HydrophobicContact CD2-CD2 4.17Å; L566-F620 HydrophobicContact CG-CD2 3.89Å; I567-F620 WeakPolarHBondContact CA-O 3.18Å; I567-F620 HydrophobicContact CG1-CB 4.25Å; R568-F620 PolarHBondContact N-O 2.82Å; R568-F620 VanDerWaalsContact N-O 3.14Å; L589-F620 HydrophobicContact CB-CD1 4.09Å; L589-F620 HydrophobicContact CD1-CD1 4.12Å; L589-F620 HydrophobicContact CD1-CE1 3.78Å; L589-F620 CarbonylContact O-C 3.41Å; L589-F620 WeakPolarHBondContact O-CA 3.21Å; F605-F620 HydrophobicContact CE1-CB 4.36Å; F605-F620 HydrophobicContact CZ-CD1 4.38Å; I609-F620 HydrophobicContact CB-CD1 3.93Å; I609-F620 HydrophobicContact CB-CE1 3.66Å; I609-F620 HydrophobicContact CB-CZ 4.23Å; I609-F620 HydrophobicContact CD1-CB 3.55Å; I609-F620 HydrophobicContact CD1-CD1 3.28Å; I609-F620 HydrophobicContact CD1-CD2 3.9Å; I609-F620 HydrophobicContact CD1-CE1 3.85Å; I609-F620 HydrophobicContact CD1-CE2 4.41Å; I609-F620 HydrophobicContact CD1-CG 3.29Å; I609-F620 HydrophobicContact CD1-CZ 4.38Å; I609-F620 HydrophobicContact CG1-CD1 4.16Å; I609-F620 HydrophobicContact CG1-CE1 4.28Å; I609-F620 HydrophobicContact CG1-CG 4.47Å; I609-F620 HydrophobicContact CG2-CD1 3.92Å; I609-F620 HydrophobicContact CG2-CE1 3.81Å; W612-F620 HydrophobicContact CB-CZ 3.99Å; L618-F620 HydrophobicContact CB-CE1 4.24Å; L618-F620 HydrophobicContact CB-CE2 4.17Å; L618-F620 HydrophobicContact CB-CZ 3.72Å; L618-F620 HydrophobicContact CD1-CZ 4.29Å
621	G	94.6	Very high	89.9	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	178.2	178.9	0	0	0	0	0	114.6	R568 L589 V590 V591	R568-G621 CarbonylContact O-C 3.49Å; R568-G621 WeakPolarHBondContact O-CA 3.4Å; L589-G621 PolarHBondContact O-N 2.82Å; V590-G621 VanDerWaalsContact CA-O 3.31Å; V590-G621 WeakPolarHBondContact CA-O 3.44Å; V591-G621 PolarHBondContact N-O 3.15Å; V591-G621 VanDerWaalsContact N-O 3.08Å
622	Y	95.3	Very high	90	Very high	25 Å²	25	58.2 Å²	58.2	10%	0.098	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	152.4	170.3	69.1	-87.7	0	0	0	110.3	I567 R568 E569 L570 V591 K598 V602 M624	I567-Y622 HydrophobicContact CG2-CD1 3.91Å; R568-Y622 PolarHBondContact O-N 2.86Å; E569-Y622 WeakPolarHBondContact CA-O 3.48Å; E569-Y622 HydrophobicContact CB-CE1 3.86Å; E569-Y622 HydrophobicContact CB-CE2 3.9Å; E569-Y622 VanDerWaalsContact CB-CZ 3.5Å; E569-Y622 HydrophobicContact CG-CD2 4.22Å; E569-Y622 HydrophobicContact CG-CE1 4.46Å; E569-Y622 HydrophobicContact CG-CE2 3.58Å; L570-Y622 PolarHBondContact N-O 2.92Å; V591-Y622 CarbonylContact O-C 3.56Å; V591-Y622 WeakPolarHBondContact O-CA 3.49Å; K598-Y622 HydrophobicContact CD-CE2 4.19Å; K598-Y622 VanDerWaalsContact CE-CZ 3.45Å; K598-Y622 VanDerWaalsContact CE-OH 3.3Å; K598-Y622 WeakPolarHBondContact CE-OH 3.23Å; K598-Y622 PolarHBondContact NZ-OH 3.27Å; V602-Y622 HydrophobicContact CG2-CD1 4.06Å; V602-Y622 HydrophobicContact CG2-CG 3.94Å; Y622-M624 HydrophobicContact CD2-CG 4.39Å; Y622-M624 HydrophobicContact CD2-SD 4.02Å; Y622-M624 HydrophobicContact CE2-CG 4.07Å; Y622-M624 HydrophobicContact CE2-SD 3.79Å
623	L	94.1	Very high	89.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	123.2	177.7	-173	78.2	0	0	0	109	L570 V590 V591 L592 C593 V625 N628 W631	L570-L623 HydrophobicContact CB-CD1 3.87Å; L570-L623 HydrophobicContact CD2-CD1 3.92Å; L570-L623 HydrophobicContact CG-CD1 4.26Å; V590-L623 HydrophobicContact CG1-CB 3.69Å; V591-L623 PolarHBondContact O-N 3.35Å; L592-L623 HydrophobicContact CD1-CB 4.33Å; L592-L623 HydrophobicContact CD1-CD2 4.29Å; L592-L623 HydrophobicContact CD2-CD2 4.25Å; L592-L623 HydrophobicContact CG-CB 4.2Å; L592-L623 HydrophobicContact CG-CD2 4.01Å; C593-L623 PolarHBondContact N-O 3.33Å; L623-V625 PolarHBondContact O-N 2.69Å; L623-N628 HydrophobicContact CD1-CB 3.54Å; L623-N628 HydrophobicContact CD2-CB 3.78Å; L623-N628 HydrophobicContact CG-CB 3.64Å; L623-W631 HydrophobicContact CD2-CE3 3.67Å; L623-W631 HydrophobicContact CD2-CZ3 3.76Å
624	M	93.8	Very high	90	Very high	15 Å²	15	57.2 Å²	57.2	7%	0.074	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	112.9	173.2	-63.8	-59.1	-64.5	0	0	109.5	E569 C593 A595 K598 Y622 E626 R627 N628	E569-M624 WeakPolarHBondContact OE1-CG 3.46Å; C593-M624 CarbonylContact O-C 3.48Å; C593-M624 WeakPolarHBondContact O-CA 3Å; A595-M624 HydrophobicContact CB-CE 4.47Å; K598-M624 HydrophobicContact CD-SD 4.05Å; Y622-M624 HydrophobicContact CD2-CG 4.39Å; Y622-M624 HydrophobicContact CD2-SD 4.02Å; Y622-M624 HydrophobicContact CE2-CG 4.07Å; Y622-M624 HydrophobicContact CE2-SD 3.79Å; M624-E626 VanDerWaalsContact C-N 3.33Å; M624-E626 PolarHBondContact O-N 3.16Å; M624-R627 PolarHBondContact O-N 3.41Å; M624-N628 WeakPolarHBondContact O-CB 3.35Å; M624-N628 PolarHBondContact O-N 2.73Å; M624-N628 VanDerWaalsContact O-N 3.12Å; M624-N628 PolarHBondContact O-ND2 3.28Å
625	V	90.8	Very high	90.2	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.03	22%	0.22	C	C	.	.	H	α-helix	trans	-59.5	-43.7	-176.8	176.2	0	0	0	0	111	L592 C593 L623 R627 N628 I629 A650 V654	L592-V625 HydrophobicContact CB-CG2 3.89Å; L592-V625 HydrophobicContact CD2-CG2 4.42Å; L592-V625 HydrophobicContact CG-CG2 4.4Å; C593-V625 WeakPolarHBondContact O-CG2 3.41Å; C593-V625 PolarHBondContact O-N 3.05Å; L623-V625 PolarHBondContact O-N 2.69Å; V625-R627 PolarHBondContact O-N 3Å; V625-R627 VanDerWaalsContact O-N 3.12Å; V625-N628 PolarHBondContact O-N 3.46Å; V625-N628 VanDerWaalsContact O-N 3.14Å; V625-I629 HydrophobicContact CG1-CB 4.3Å; V625-I629 HydrophobicContact CG1-CD1 4.29Å; V625-I629 VanDerWaalsContact O-CB 3.32Å; V625-I629 WeakPolarHBondContact O-CB 2.85Å; V625-I629 PolarHBondContact O-N 3.13Å; V625-A650 HydrophobicContact CG1-CB 3.91Å; V625-V654 HydrophobicContact CG2-CG2 4.5Å
626	E	87	Confident	90.1	Very high	119 Å²	119	44.8 Å²	44.8	56%	0.556	20%	0.204	S	C	*	.	H	α-helix	trans	-53.6	-36.3	-179.1	-66.4	162.6	-161.2	0	0	113.5	A595 M624	A595-E626 WeakPolarHBondContact CB-OE1 3.41Å; A595-E626 PolarHBondContact N-OE1 3.08Å; A595-E626 VanDerWaalsContact N-OE1 3.15Å; M624-E626 VanDerWaalsContact C-N 3.33Å; M624-E626 PolarHBondContact O-N 3.16Å
627	R	86.6	Confident	89.9	Confident	179 Å²	179	39.1 Å²	39.1	68%	0.675	18%	0.181	S	C	*	.	H	α-helix	trans	-92.2	-26.1	-178	-61.2	-177.6	-176.5	-160.9	-0.9	113	M624 V625	M624-R627 PolarHBondContact O-N 3.41Å; V625-R627 PolarHBondContact O-N 3Å; V625-R627 VanDerWaalsContact O-N 3.12Å
628	N	89.1	Confident	89.5	Confident	6 Å²	6	39.8 Å²	39.8	3%	0.032	18%	0.182	C	C	.	.	H	α-helix	trans	-125.7	15.9	-166.1	-64.4	-72.6	0	0	0	114.1	L623 M624 V625 D630 W631 F632 V758	L623-N628 HydrophobicContact CD1-CB 3.54Å; L623-N628 HydrophobicContact CD2-CB 3.78Å; L623-N628 HydrophobicContact CG-CB 3.64Å; M624-N628 WeakPolarHBondContact O-CB 3.35Å; M624-N628 PolarHBondContact O-N 2.73Å; M624-N628 VanDerWaalsContact O-N 3.12Å; M624-N628 PolarHBondContact O-ND2 3.28Å; V625-N628 PolarHBondContact O-N 3.46Å; V625-N628 VanDerWaalsContact O-N 3.14Å; N628-D630 PolarHBondContact O-N 2.82Å; N628-W631 HydrophobicContact CB-CB 4.42Å; N628-W631 WeakPolarHBondContact O-CB 3.43Å; N628-W631 PolarHBondContact O-N 2.99Å; N628-F632 PolarHBondContact O-N 2.81Å; N628-V758 WeakPolarHBondContact OD1-CG1 3.11Å
629	I	87.3	Confident	88.7	Confident	32 Å²	32	40.4 Å²	40.4	16%	0.164	19%	0.186	C	C	.	.	H	α-helix	trans	-60.2	-35.9	176.3	-169.4	162	0	0	0	111.7	V625 F632 R633 A650	V625-I629 HydrophobicContact CG1-CB 4.3Å; V625-I629 HydrophobicContact CG1-CD1 4.29Å; V625-I629 VanDerWaalsContact O-CB 3.32Å; V625-I629 WeakPolarHBondContact O-CB 2.85Å; V625-I629 PolarHBondContact O-N 3.13Å; I629-F632 PolarHBondContact O-N 2.03Å; I629-R633 WeakPolarHBondContact O-CB 3.48Å; I629-R633 PolarHBondContact O-N 2.78Å; I629-A650 HydrophobicContact CD1-CB 3.64Å
630	D	86.3	Confident	87.6	Confident	69 Å²	69	38 Å²	38	37%	0.369	18%	0.175	S	C	.	.	H	α-helix	trans	-66.4	-40.9	176.8	-65.6	-20.7	0	0	0	112.2	N628 F632 R633 Q634	N628-D630 PolarHBondContact O-N 2.82Å; D630-F632 VanDerWaalsContact C-N 3.34Å; D630-R633 WeakPolarHBondContact O-CB 3.41Å; D630-R633 PolarHBondContact O-N 2.85Å; D630-R633 IonicContact OD1-CZ 3.51Å; D630-R633 IonicContact OD1-NH1 3.22Å; D630-R633 PolarHBondContact OD1-NH1 3.45Å; D630-R633 IonicContact OD1-NH2 3.54Å; D630-R633 PolarHBondContact OD1-NH2 2.65Å; D630-Q634 WeakPolarHBondContact O-CG 3.46Å; D630-Q634 PolarHBondContact O-N 3.01Å
631	W	89.9	Confident	85.7	Confident	7 Å²	7	41.3 Å²	41.3	3%	0.027	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-44.5	174.7	175.5	83.9	0	0	0	111	L570 Y575 L623 N628 R633 Q634 L635 L658 L660 P756 V758	L570-W631 HydrophobicContact CD2-CH2 4.33Å; Y575-W631 HydrophobicContact CE2-CZ2 4.11Å; Y575-W631 AromaticContact CE2-NE1 3.9Å; Y575-W631 AromaticContact CZ-NE1 3.89Å; Y575-W631 PolarHBondContact OH-NE1 2.88Å; L623-W631 HydrophobicContact CD2-CE3 3.67Å; L623-W631 HydrophobicContact CD2-CZ3 3.76Å; N628-W631 HydrophobicContact CB-CB 4.42Å; N628-W631 WeakPolarHBondContact O-CB 3.43Å; N628-W631 PolarHBondContact O-N 2.99Å; W631-R633 VanDerWaalsContact C-N 3.35Å; W631-Q634 PolarHBondContact O-N 3.37Å; W631-L635 HydrophobicContact CH2-CD2 3.82Å; W631-L635 HydrophobicContact CZ2-CD2 4.35Å; W631-L635 HydrophobicContact CZ3-CD2 4.1Å; W631-L635 WeakPolarHBondContact O-CB 3.34Å; W631-L635 PolarHBondContact O-N 3Å; W631-L658 HydrophobicContact CH2-CD1 4.19Å; W631-L658 HydrophobicContact CZ3-CD1 3.92Å; W631-L660 HydrophobicContact CH2-CD1 4.24Å; W631-P756 VanDerWaalsContact CD1-O 3.28Å; W631-P756 PolarHBondContact NE1-O 3.06Å; W631-V758 VanDerWaalsContact CD1-CG2 3.42Å; W631-V758 HydrophobicContact CD2-CG2 3.99Å; W631-V758 HydrophobicContact CG-CG2 3.8Å; W631-V758 VanDerWaalsContact NE1-CG2 3.34Å
632	F	89.9	Confident	83.7	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.009	25%	0.245	C	C	.	.	H	α-helix	trans	-63.7	-41.3	176.7	-178.2	-113.4	0	0	0	111.6	L592 N628 I629 D630 L635 L636 V653 T656 L658 I669	L592-F632 HydrophobicContact CD2-CB 4.45Å; L592-F632 HydrophobicContact CD2-CD1 4.23Å; L592-F632 HydrophobicContact CD2-CD2 3.76Å; L592-F632 HydrophobicContact CD2-CE1 4.43Å; L592-F632 HydrophobicContact CD2-CE2 3.99Å; L592-F632 HydrophobicContact CD2-CG 3.87Å; L592-F632 HydrophobicContact CD2-CZ 4.31Å; N628-F632 PolarHBondContact O-N 2.81Å; I629-F632 PolarHBondContact O-N 2.03Å; D630-F632 VanDerWaalsContact C-N 3.34Å; F632-L635 WeakPolarHBondContact O-CB 2.99Å; F632-L635 PolarHBondContact O-N 3.13Å; F632-L636 HydrophobicContact CD1-CD1 4.23Å; F632-L636 HydrophobicContact CE1-CD1 3.6Å; F632-L636 HydrophobicContact CE1-CG 4.21Å; F632-L636 HydrophobicContact CE2-CD1 4.43Å; F632-L636 HydrophobicContact CE2-CD2 4.13Å; F632-L636 HydrophobicContact CE2-CG 4.25Å; F632-L636 HydrophobicContact CZ-CD1 3.73Å; F632-L636 HydrophobicContact CZ-CD2 4.07Å; F632-L636 HydrophobicContact CZ-CG 4.04Å; F632-L636 WeakPolarHBondContact O-CG 3.43Å; F632-L636 PolarHBondContact O-N 3.19Å; F632-L636 VanDerWaalsContact O-N 3.08Å; F632-V653 HydrophobicContact CD1-CG1 3.7Å; F632-V653 HydrophobicContact CD1-CG2 4.3Å; F632-V653 HydrophobicContact CE1-CB 4.29Å; F632-V653 HydrophobicContact CE1-CG1 3.34Å; F632-V653 HydrophobicContact CE1-CG2 3.88Å; F632-V653 HydrophobicContact CG-CG1 4.47Å; F632-V653 HydrophobicContact CZ-CG1 3.87Å; F632-T656 HydrophobicContact CE2-CG2 4.39Å; F632-T656 HydrophobicContact CZ-CG2 4.23Å; F632-L658 HydrophobicContact CD2-CD1 4.03Å; F632-L658 HydrophobicContact CE2-CD1 4.07Å; F632-L658 HydrophobicContact CE2-CD2 4.15Å; F632-I669 HydrophobicContact CE2-CD1 4.17Å; F632-I669 HydrophobicContact CZ-CD1 4.06Å
633	R	86.3	Confident	81.7	Confident	47 Å²	47	49.2 Å²	49.2	18%	0.177	25%	0.25	C	C	.	.	H	α-helix	trans	-57.4	-53.7	174.4	-173.1	-173.6	-56.2	99	3	111.2	I629 D630 W631 L635 L636 E637 L645 I648	I629-R633 WeakPolarHBondContact O-CB 3.48Å; I629-R633 PolarHBondContact O-N 2.78Å; D630-R633 WeakPolarHBondContact O-CB 3.41Å; D630-R633 PolarHBondContact O-N 2.85Å; D630-R633 IonicContact OD1-CZ 3.51Å; D630-R633 IonicContact OD1-NH1 3.22Å; D630-R633 PolarHBondContact OD1-NH1 3.45Å; D630-R633 IonicContact OD1-NH2 3.54Å; D630-R633 PolarHBondContact OD1-NH2 2.65Å; W631-R633 VanDerWaalsContact C-N 3.35Å; R633-L635 VanDerWaalsContact C-N 3.25Å; R633-L635 PolarHBondContact O-N 2.94Å; R633-L636 PolarHBondContact O-N 2.86Å; R633-E637 WeakPolarHBondContact CD-OE1 3.29Å; R633-E637 HydrophobicContact CG-CG 4.27Å; R633-E637 WeakPolarHBondContact CG-OE1 3.38Å; R633-E637 WeakPolarHBondContact O-CG 3.27Å; R633-E637 PolarHBondContact O-N 2.82Å; R633-L645 WeakPolarHBondContact CD-O 3.19Å; R633-L645 HydrophobicContact CG-CB 3.88Å; R633-L645 PolarHBondContact NE-O 2.86Å; R633-I648 HydrophobicContact CB-CD1 3.86Å; R633-I648 HydrophobicContact CG-CD1 3.8Å
634	Q	87.1	Confident	79.9	Confident	76 Å²	76	54.5 Å²	54.5	36%	0.355	29%	0.286	S	S	.	.	H	α-helix	trans	-58	-40	179	-71.6	174.2	17.8	0	0	111.6	D630 W631 L636 E637 L638 P756	D630-Q634 WeakPolarHBondContact O-CG 3.46Å; D630-Q634 PolarHBondContact O-N 3.01Å; W631-Q634 PolarHBondContact O-N 3.37Å; Q634-L636 VanDerWaalsContact C-N 3.31Å; Q634-L636 PolarHBondContact O-N 3.43Å; Q634-E637 PolarHBondContact O-N 3.25Å; Q634-L638 VanDerWaalsContact O-CG 3.31Å; Q634-L638 WeakPolarHBondContact O-CG 3.29Å; Q634-L638 PolarHBondContact O-N 3.33Å; Q634-P756 HydrophobicContact CB-CB 3.82Å; Q634-P756 HydrophobicContact CB-CG 4.25Å
635	L	88.5	Confident	78.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.5	-41.4	176.5	-177.2	67.1	0	0	0	112	W631 F632 R633 L658 Y667 I752 W755 P756	W631-L635 HydrophobicContact CH2-CD2 3.82Å; W631-L635 HydrophobicContact CZ2-CD2 4.35Å; W631-L635 HydrophobicContact CZ3-CD2 4.1Å; W631-L635 WeakPolarHBondContact O-CB 3.34Å; W631-L635 PolarHBondContact O-N 3Å; F632-L635 WeakPolarHBondContact O-CB 2.99Å; F632-L635 PolarHBondContact O-N 3.13Å; R633-L635 VanDerWaalsContact C-N 3.25Å; R633-L635 PolarHBondContact O-N 2.94Å; L635-L658 HydrophobicContact CD2-CD1 3.99Å; L635-Y667 HydrophobicContact CD1-CD1 3.72Å; L635-Y667 HydrophobicContact CD1-CE1 3.74Å; L635-Y667 HydrophobicContact CD1-CG 4.49Å; L635-Y667 HydrophobicContact CD2-CD1 4.27Å; L635-Y667 HydrophobicContact CD2-CD2 4.44Å; L635-Y667 HydrophobicContact CD2-CE1 4.32Å; L635-Y667 HydrophobicContact CD2-CG 4.32Å; L635-Y667 HydrophobicContact CG-CD1 4.02Å; L635-Y667 HydrophobicContact CG-CE1 3.74Å; L635-Y667 PolarHBondContact O-OH 2.87Å; L635-I752 HydrophobicContact CD1-CD1 3.93Å; L635-I752 HydrophobicContact CD1-CG2 4.45Å; L635-W755 HydrophobicContact CD1-CE3 4.15Å; L635-W755 HydrophobicContact CD1-CZ3 3.82Å; L635-P756 HydrophobicContact CB-CG 4.09Å; L635-P756 HydrophobicContact CD1-CG 4.37Å
636	L	85	Confident	77.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-71.2	-44.1	177.5	-64.7	-172.4	0	0	0	112	F632 R633 Q634 L638 T639 V640 L645 I648 Y667 I669 F694 I699	F632-L636 HydrophobicContact CD1-CD1 4.23Å; F632-L636 HydrophobicContact CE1-CD1 3.6Å; F632-L636 HydrophobicContact CE1-CG 4.21Å; F632-L636 HydrophobicContact CE2-CD1 4.43Å; F632-L636 HydrophobicContact CE2-CD2 4.13Å; F632-L636 HydrophobicContact CE2-CG 4.25Å; F632-L636 HydrophobicContact CZ-CD1 3.73Å; F632-L636 HydrophobicContact CZ-CD2 4.07Å; F632-L636 HydrophobicContact CZ-CG 4.04Å; F632-L636 WeakPolarHBondContact O-CG 3.43Å; F632-L636 PolarHBondContact O-N 3.19Å; F632-L636 VanDerWaalsContact O-N 3.08Å; R633-L636 PolarHBondContact O-N 2.86Å; Q634-L636 VanDerWaalsContact C-N 3.31Å; Q634-L636 PolarHBondContact O-N 3.43Å; L636-L638 PolarHBondContact O-N 3.38Å; L636-T639 PolarHBondContact O-N 3.43Å; L636-T639 PolarHBondContact O-OG1 3.18Å; L636-T639 VanDerWaalsContact O-OG1 3.12Å; L636-V640 WeakPolarHBondContact O-CG2 3.32Å; L636-V640 PolarHBondContact O-N 3.35Å; L636-L645 HydrophobicContact CB-CD1 3.59Å; L636-I648 HydrophobicContact CD1-CD1 4.03Å; L636-Y667 HydrophobicContact CD2-CE2 4.47Å; L636-Y667 WeakPolarHBondContact CD2-OH 3.24Å; L636-I669 HydrophobicContact CD2-CD1 4.19Å; L636-F694 HydrophobicContact CD2-CE1 4.25Å; L636-I699 HydrophobicContact CD1-CD1 3.88Å
637	E	83.4	Confident	76.1	Confident	86 Å²	86	58.4 Å²	58.4	40%	0.402	32%	0.319	S	S	.	.	H	α-helix	trans	-57	-31	179.1	-73	173.7	168.2	0	0	112.5	R633 Q634 T639 L645	R633-E637 WeakPolarHBondContact CD-OE1 3.29Å; R633-E637 HydrophobicContact CG-CG 4.27Å; R633-E637 WeakPolarHBondContact CG-OE1 3.38Å; R633-E637 WeakPolarHBondContact O-CG 3.27Å; R633-E637 PolarHBondContact O-N 2.82Å; Q634-E637 PolarHBondContact O-N 3.25Å; E637-T639 PolarHBondContact O-N 3.41Å; E637-T639 VanDerWaalsContact O-N 3.15Å; E637-L645 HydrophobicContact CG-CB 3.96Å; E637-L645 HydrophobicContact CG-CD1 3.66Å; E637-L645 HydrophobicContact CG-CG 4.23Å
638	L	82.4	Confident	75.4	Confident	74 Å²	74	50.7 Å²	50.7	39%	0.387	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-12.4	174.5	-70.7	169.9	0	0	0	114.1	Q634 L636 I752 E754	Q634-L638 VanDerWaalsContact O-CG 3.31Å; Q634-L638 WeakPolarHBondContact O-CG 3.29Å; Q634-L638 PolarHBondContact O-N 3.33Å; L636-L638 PolarHBondContact O-N 3.38Å; L638-I752 HydrophobicContact CB-CG2 3.93Å; L638-I752 HydrophobicContact CD1-CB 4.36Å; L638-I752 HydrophobicContact CD1-CG2 4.27Å; L638-E754 WeakPolarHBondContact CD1-O 3.38Å
639	T	77.5	Confident	74.8	Confident	29 Å²	29	54.4 Å²	54.4	18%	0.178	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.9	-12.9	-171.1	72.4	0	0	0	0	114.8	L636 E637 Y667 F750 I752	L636-T639 PolarHBondContact O-N 3.43Å; L636-T639 PolarHBondContact O-OG1 3.18Å; L636-T639 VanDerWaalsContact O-OG1 3.12Å; E637-T639 PolarHBondContact O-N 3.41Å; E637-T639 VanDerWaalsContact O-N 3.15Å; T639-Y667 HydrophobicContact CG2-CE1 3.69Å; T639-Y667 PolarHBondContact OG1-OH 3.27Å; T639-F750 HydrophobicContact CG2-CB 3.98Å; T639-I752 HydrophobicContact CG2-CG2 3.51Å
640	V	69.1	Low	74.3	Confident	20 Å²	20	54.8 Å²	54.8	12%	0.121	32%	0.319	C	S	.	.			trans	-98	118.4	174.8	-176.2	0	0	0	0	108.8	L636 T643 F694 I699	L636-V640 WeakPolarHBondContact O-CG2 3.32Å; L636-V640 PolarHBondContact O-N 3.35Å; V640-T643 VanDerWaalsContact CG1-OG1 3.25Å; V640-T643 WeakPolarHBondContact CG1-OG1 3.38Å; V640-F694 HydrophobicContact CG1-CG 4.42Å; V640-F694 HydrophobicContact CG2-CD1 3.35Å; V640-F694 HydrophobicContact CG2-CD2 3.88Å; V640-F694 HydrophobicContact CG2-CE1 3.11Å; V640-F694 HydrophobicContact CG2-CE2 3.65Å; V640-F694 HydrophobicContact CG2-CG 3.76Å; V640-F694 HydrophobicContact CG2-CZ 3.28Å; V640-I699 HydrophobicContact CG1-CG2 4.34Å
641	A	56.4	Low	73.9	Confident	77 Å²	77	61.5 Å²	61.5	64%	0.636	34%	0.339	S	S	*	.			trans	-75	140.8	173	0	0	0	0	0	110.7	T643	A641-T643 PolarHBondContact O-N 2.97Å
642	D	52.1	Low	73.4	Confident	159 Å²	159	63.4 Å²	63.4	85%	0.85	35%	0.35	S	S	*	.	S	Bend	trans	62.9	25.5	159.3	-55.7	-31.1	0	0	0	118.5
643	T	53.1	Low	73.2	Confident	32 Å²	32	63.7 Å²	63.7	20%	0.196	35%	0.352	C	S	.	.			trans	-135.6	124.6	169.4	35.1	0	0	0	0	112.5	V640 A641 L645	V640-T643 VanDerWaalsContact CG1-OG1 3.25Å; V640-T643 WeakPolarHBondContact CG1-OG1 3.38Å; A641-T643 PolarHBondContact O-N 2.97Å; T643-L645 PolarHBondContact O-N 2.95Å
644	S	56.8	Low	73.4	Confident	110 Å²	110	61.9 Å²	61.9	77%	0.769	35%	0.346	S	S	*	.			trans	-66.3	114.5	166.9	168.5	0	0	0	0	109	A646	S644-A646 PolarHBondContact O-N 3.43Å
645	L	65.2	Low	73.6	Confident	7 Å²	7	58.3 Å²	58.3	4%	0.037	33%	0.329	C	S	.	.			trans	-83.4	27.3	178.7	-79.3	171.2	0	0	0	113	R633 L636 E637 T643 N647 I648 I699	R633-L645 WeakPolarHBondContact CD-O 3.19Å; R633-L645 HydrophobicContact CG-CB 3.88Å; R633-L645 PolarHBondContact NE-O 2.86Å; L636-L645 HydrophobicContact CB-CD1 3.59Å; E637-L645 HydrophobicContact CG-CB 3.96Å; E637-L645 HydrophobicContact CG-CD1 3.66Å; E637-L645 HydrophobicContact CG-CG 4.23Å; T643-L645 PolarHBondContact O-N 2.95Å; L645-N647 PolarHBondContact O-N 3.24Å; L645-I648 HydrophobicContact CB-CD1 4.13Å; L645-I648 HydrophobicContact CB-CG1 4.21Å; L645-I648 HydrophobicContact CD1-CD1 4.45Å; L645-I648 HydrophobicContact CD2-CD1 4.09Å; L645-I648 HydrophobicContact CD2-CG1 3.91Å; L645-I648 HydrophobicContact CG-CD1 4.5Å; L645-I648 PolarHBondContact O-N 2.93Å; L645-I699 HydrophobicContact CD2-CB 3.78Å; L645-I699 HydrophobicContact CD2-CD1 3.38Å; L645-I699 HydrophobicContact CD2-CG1 3.27Å; L645-I699 HydrophobicContact CD2-CG2 3.24Å; L645-I699 HydrophobicContact CG-CG2 4.2Å
646	A	60.5	Low	73.8	Confident	57 Å²	57	58.3 Å²	58.3	47%	0.471	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-36.9	-173.9	0	0	0	0	0	112.7	S644	S644-A646 PolarHBondContact O-N 3.43Å
647	N	65.5	Low	74.3	Confident	157 Å²	157	58.3 Å²	58.3	84%	0.84	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	44.4	-171	-65.4	-18	0	0	0	114.3	L645 N649	L645-N647 PolarHBondContact O-N 3.24Å; N647-N649 PolarHBondContact O-N 3.49Å; N647-N649 VanDerWaalsContact O-N 3.08Å
648	I	71.5	Confident	74.8	Confident	18 Å²	18	54.2 Å²	54.2	9%	0.092	31%	0.31	C	S	.	.			trans	-60.3	115.6	168.1	-64.3	175.6	0	0	0	109.1	R633 L636 L645 A650 V653	R633-I648 HydrophobicContact CB-CD1 3.86Å; R633-I648 HydrophobicContact CG-CD1 3.8Å; L636-I648 HydrophobicContact CD1-CD1 4.03Å; L645-I648 HydrophobicContact CB-CD1 4.13Å; L645-I648 HydrophobicContact CB-CG1 4.21Å; L645-I648 HydrophobicContact CD1-CD1 4.45Å; L645-I648 HydrophobicContact CD2-CD1 4.09Å; L645-I648 HydrophobicContact CD2-CG1 3.91Å; L645-I648 HydrophobicContact CG-CD1 4.5Å; L645-I648 PolarHBondContact O-N 2.93Å; I648-A650 PolarHBondContact O-N 3.12Å; I648-V653 HydrophobicContact CG2-CG2 3.43Å; I648-V653 VanDerWaalsContact CG2-CG2 3.43Å
649	N	76.4	Confident	75.5	Confident	83 Å²	83	50.8 Å²	50.8	44%	0.444	29%	0.292	S	S	.	.			trans	-75	111.5	176.2	-175.9	-19.7	0	0	0	110.1	N647 R651 N652	N647-N649 PolarHBondContact O-N 3.49Å; N647-N649 VanDerWaalsContact O-N 3.08Å; N649-R651 PolarHBondContact O-N 2.63Å; N649-R651 VanDerWaalsContact O-N 3.09Å; N649-R651 WeakPolarHBondContact OD1-CB 3.32Å; N649-R651 PolarHBondContact OD1-N 2.92Å; N649-N652 HydrophobicContact CB-CB 4.37Å; N649-N652 PolarHBondContact O-N 2.76Å
650	A	77.1	Confident	76.3	Confident	41 Å²	41	49.4 Å²	49.4	34%	0.339	28%	0.284	S	S	.	.	H	α-helix	trans	-47.6	-40.1	179.5	0	0	0	0	0	113.4	V625 I629 I648 N652 V653	V625-A650 HydrophobicContact CG1-CB 3.91Å; I629-A650 HydrophobicContact CD1-CB 3.64Å; I648-A650 PolarHBondContact O-N 3.12Å; A650-N652 VanDerWaalsContact C-N 3.3Å; A650-N652 PolarHBondContact O-N 3.5Å; A650-V653 PolarHBondContact O-N 3.13Å
651	R	78.5	Confident	77.5	Confident	209 Å²	209	48.6 Å²	48.6	79%	0.789	28%	0.279	S	S	*	.	H	α-helix	trans	-66.4	-30.1	-178.9	-67	-176.3	176.1	173.9	-0.5	113.2	N649 V653	N649-R651 PolarHBondContact O-N 2.63Å; N649-R651 VanDerWaalsContact O-N 3.09Å; N649-R651 WeakPolarHBondContact OD1-CB 3.32Å; N649-R651 PolarHBondContact OD1-N 2.92Å; R651-V653 VanDerWaalsContact C-N 3.31Å
652	N	79.8	Confident	79	Confident	48 Å²	48	45.3 Å²	45.3	26%	0.257	25%	0.253	S	S	.	.	H	α-helix	trans	-77.7	-19.9	-179.4	-76.1	-20.8	0	0	0	112.8	N649 A650 H671 K673	N649-N652 HydrophobicContact CB-CB 4.37Å; N649-N652 PolarHBondContact O-N 2.76Å; A650-N652 VanDerWaalsContact C-N 3.3Å; A650-N652 PolarHBondContact O-N 3.5Å; N652-H671 PolarHBondContact O-CE1 2.89Å; N652-H671 PolarHBondContact O-NE2 3.09Å; N652-K673 VanDerWaalsContact CG-NZ 3.33Å; N652-K673 PolarHBondContact OD1-NZ 3.44Å
653	V	85.5	Confident	80.6	Confident	7 Å²	7	43.6 Å²	43.6	4%	0.042	24%	0.238	C	C	.	.	H	α-helix	trans	-86.2	-22.3	-176.3	-177.2	0	0	0	0	112	L592 F632 I648 A650 R651 G655 T656	L592-V653 HydrophobicContact CB-CG1 4.41Å; L592-V653 HydrophobicContact CD2-CG1 3.31Å; L592-V653 HydrophobicContact CG-CG1 4.47Å; F632-V653 HydrophobicContact CD1-CG1 3.7Å; F632-V653 HydrophobicContact CD1-CG2 4.3Å; F632-V653 HydrophobicContact CE1-CB 4.29Å; F632-V653 HydrophobicContact CE1-CG1 3.34Å; F632-V653 HydrophobicContact CE1-CG2 3.88Å; F632-V653 HydrophobicContact CG-CG1 4.47Å; F632-V653 HydrophobicContact CZ-CG1 3.87Å; I648-V653 HydrophobicContact CG2-CG2 3.43Å; I648-V653 VanDerWaalsContact CG2-CG2 3.43Å; A650-V653 PolarHBondContact O-N 3.13Å; R651-V653 VanDerWaalsContact C-N 3.31Å; V653-G655 PolarHBondContact O-N 3.03Å; V653-T656 WeakPolarHBondContact O-CB 3.37Å; V653-T656 PolarHBondContact O-N 2.89Å; V653-T656 PolarHBondContact O-OG1 3.16Å
654	V	90.3	Very high	82.4	Confident	10 Å²	10	49.6 Å²	49.6	6%	0.061	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	132.1	178.3	176.2	0	0	0	0	110.5	D594 S597 L601 V625 L731	D594-V654 HydrophobicContact CB-CG2 4.26Å; S597-V654 WeakPolarHBondContact OG-CG1 3.45Å; L601-V654 HydrophobicContact CD1-CG1 3.58Å; V625-V654 HydrophobicContact CG2-CG2 4.5Å; V654-L731 HydrophobicContact CG1-CD1 4.01Å
655	G	90	Very high	84	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	-3.2	-175.1	0	0	0	0	0	114.9	L592 V653 L732	L592-G655 PolarHBondContact O-N 3.45Å; V653-G655 PolarHBondContact O-N 3.03Å; G655-L732 WeakPolarHBondContact O-CD2 3.23Å
656	T	92.8	Very high	85.3	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.238	C	C	.	.			trans	-65.8	137.2	171.5	-61.6	0	0	0	0	110.2	L592 F632 V653 L658 I669 Y670 H671	L592-T656 PolarHBondContact N-O 3.2Å; F632-T656 HydrophobicContact CE2-CG2 4.39Å; F632-T656 HydrophobicContact CZ-CG2 4.23Å; V653-T656 WeakPolarHBondContact O-CB 3.37Å; V653-T656 PolarHBondContact O-N 2.89Å; V653-T656 PolarHBondContact O-OG1 3.16Å; T656-L658 HydrophobicContact CG2-CD2 4.45Å; T656-I669 HydrophobicContact CG2-CD1 3.77Å; T656-I669 HydrophobicContact CG2-CG1 3.65Å; T656-Y670 CarbonylContact C-O 3.59Å; T656-Y670 VanDerWaalsContact CA-O 3.28Å; T656-Y670 WeakPolarHBondContact CA-O 3.31Å; T656-Y670 VanDerWaalsContact CG2-O 3.24Å; T656-Y670 WeakPolarHBondContact CG2-O 3.4Å; T656-H671 PolarHBondContact OG1-CD2 3.47Å
657	V	95.6	Very high	86.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.8	175.2	-179.5	0	0	0	0	110.2	V590 V591 F605 I669 Y670 L732 L735 W738	V590-V657 CarbonylContact O-C 3.51Å; V590-V657 WeakPolarHBondContact O-CA 3.44Å; V591-V657 HydrophobicContact CB-CG2 4.1Å; V591-V657 HydrophobicContact CG2-CG2 4.01Å; F605-V657 HydrophobicContact CE2-CG1 4.09Å; V657-I669 WeakPolarHBondContact O-CA 3.42Å; V657-Y670 HydrophobicContact CB-CD1 4.14Å; V657-Y670 HydrophobicContact CG2-CD1 4.09Å; V657-Y670 PolarHBondContact N-O 2.72Å; V657-Y670 PolarHBondContact O-N 3.25Å; V657-L732 HydrophobicContact CG2-CD2 3.99Å; V657-L735 HydrophobicContact CB-CD1 3.88Å; V657-L735 HydrophobicContact CG1-CD1 4.09Å; V657-L735 HydrophobicContact CG2-CD1 3.81Å; V657-L735 HydrophobicContact CG2-CD2 4.02Å; V657-W738 HydrophobicContact CG1-CZ3 4.45Å
658	L	95.5	Very high	88.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.5	178.3	-61.2	173.8	0	0	0	110.9	L589 V590 L592 W631 F632 L635 T656 L660 Y667 C668 I669	L589-L658 CarbonylContact C-O 3.51Å; L589-L658 VanDerWaalsContact CA-O 3.29Å; L589-L658 WeakPolarHBondContact CA-O 3.41Å; V590-L658 PolarHBondContact N-O 2.77Å; V590-L658 PolarHBondContact O-N 2.96Å; L592-L658 HydrophobicContact CD1-CD1 3.88Å; L592-L658 HydrophobicContact CD1-CG 4.05Å; W631-L658 HydrophobicContact CH2-CD1 4.19Å; W631-L658 HydrophobicContact CZ3-CD1 3.92Å; F632-L658 HydrophobicContact CD2-CD1 4.03Å; F632-L658 HydrophobicContact CE2-CD1 4.07Å; F632-L658 HydrophobicContact CE2-CD2 4.15Å; L635-L658 HydrophobicContact CD2-CD1 3.99Å; T656-L658 HydrophobicContact CG2-CD2 4.45Å; L658-L660 HydrophobicContact CB-CD2 3.79Å; L658-L660 HydrophobicContact CB-CG 4.33Å; L658-L660 HydrophobicContact CD1-CD2 4.4Å; L658-Y667 HydrophobicContact CD2-CD2 4.03Å; L658-Y667 HydrophobicContact CD2-CE2 4.38Å; L658-C668 CarbonylContact C-O 3.5Å; L658-C668 WeakPolarHBondContact CA-O 3.33Å; L658-I669 HydrophobicContact CD2-CB 3.78Å; L658-I669 HydrophobicContact CD2-CD1 3.84Å; L658-I669 HydrophobicContact CD2-CG1 3.56Å
659	A	95.5	Very high	89.2	Confident	2 Å²	2	37.7 Å²	37.7	2%	0.017	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	106.5	167.1	0	0	0	0	0	109.6	T588 L589 Y667 C668 W738 L742	T588-A659 CarbonylContact O-C 3.47Å; T588-A659 WeakPolarHBondContact O-CA 3.34Å; L589-A659 HydrophobicContact CD2-CB 3.53Å; A659-Y667 CarbonylContact O-C 3.49Å; A659-Y667 WeakPolarHBondContact O-CA 3.38Å; A659-C668 HydrophobicContact CB-CB 4.1Å; A659-C668 PolarHBondContact N-O 2.87Å; A659-C668 PolarHBondContact O-N 3.14Å; A659-W738 HydrophobicContact CB-CH2 3.99Å; A659-L742 HydrophobicContact CB-CD1 3.89Å; A659-L742 HydrophobicContact CB-CD2 3.65Å; A659-L742 HydrophobicContact CB-CG 4.42Å
660	L	95.2	Very high	89.9	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	128.3	-172.8	-49.5	-179.9	0	0	0	110.7	V579 R587 T588 V590 W631 L658 W755	V579-L660 HydrophobicContact CG2-CD1 3.67Å; R587-L660 VanDerWaalsContact CA-O 3.31Å; R587-L660 WeakPolarHBondContact CA-O 3.46Å; T588-L660 PolarHBondContact N-O 2.67Å; T588-L660 PolarHBondContact O-N 3.49Å; V590-L660 HydrophobicContact CG2-CD1 4Å; W631-L660 HydrophobicContact CH2-CD1 4.24Å; L658-L660 HydrophobicContact CB-CD2 3.79Å; L658-L660 HydrophobicContact CB-CG 4.33Å; L658-L660 HydrophobicContact CD1-CD2 4.4Å; L660-W755 HydrophobicContact CB-CH2 3.87Å; L660-W755 HydrophobicContact CB-CZ2 4.47Å; L660-W755 HydrophobicContact CB-CZ3 4.45Å; L660-W755 HydrophobicContact CD2-CH2 3.82Å; L660-W755 HydrophobicContact CD2-CZ3 3.81Å; L660-W755 HydrophobicContact CG-CH2 4.36Å
661	N	93.2	Very high	90.3	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.021	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	95.1	171.9	-168.2	-46.1	0	0	0	110.5	F663 R664 Q665 Y666 W755	N661-F663 PolarHBondContact O-N 2.8Å; N661-F663 PolarHBondContact OD1-N 3.01Å; N661-R664 PolarHBondContact OD1-N 3.05Å; N661-Q665 WeakPolarHBondContact O-CA 3.42Å; N661-Q665 PolarHBondContact O-N 2.88Å; N661-Y666 HydrophobicContact CB-CD1 4Å; N661-Y666 HydrophobicContact CB-CD2 4.17Å; N661-Y666 HydrophobicContact CB-CE1 3.67Å; N661-Y666 HydrophobicContact CB-CE2 3.83Å; N661-Y666 HydrophobicContact CB-CG 4.23Å; N661-Y666 PolarHBondContact N-O 2.9Å; N661-Y666 PolarHBondContact ND2-OH 2.81Å; N661-Y666 PolarHBondContact O-N 2.83Å; N661-W755 WeakPolarHBondContact O-CZ2 3.47Å
662	G	87.9	Confident	90.4	Very high	8 Å²	8	23.6 Å²	23.6	8%	0.082	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-49.6	179.3	0	0	0	0	0	114.2	V579 W755	V579-G662 WeakPolarHBondContact O-CA 3.3Å; G662-W755 PolarHBondContact O-NE1 2.94Å
663	F	87	Confident	90	Very high	122 Å²	122	24.4 Å²	24.4	54%	0.535	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-40.5	-172.6	-177.5	-100.9	0	0	0	113.3	P584 N661	P584-F663 HydrophobicContact CB-CD1 4.07Å; P584-F663 HydrophobicContact CB-CD2 4.47Å; P584-F663 HydrophobicContact CB-CE1 4.08Å; P584-F663 HydrophobicContact CB-CE2 4.48Å; P584-F663 HydrophobicContact CB-CG 4.28Å; P584-F663 HydrophobicContact CB-CZ 4.29Å; P584-F663 HydrophobicContact CG-CD1 4.29Å; P584-F663 HydrophobicContact CG-CD2 3.86Å; P584-F663 HydrophobicContact CG-CE1 4.15Å; P584-F663 HydrophobicContact CG-CE2 3.71Å; P584-F663 HydrophobicContact CG-CG 4.15Å; P584-F663 HydrophobicContact CG-CZ 3.86Å; N661-F663 PolarHBondContact O-N 2.8Å; N661-F663 PolarHBondContact OD1-N 3.01Å
664	R	90.6	Very high	88.9	Confident	158 Å²	158	27.2 Å²	27.2	60%	0.596	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	5.2	-179.1	-66.6	-164.9	177.2	-164.2	2.5	114	N661 Y666	N661-R664 PolarHBondContact OD1-N 3.05Å; R664-Y666 HydrophobicContact CB-CD1 3.59Å; R664-Y666 HydrophobicContact CB-CE1 3.5Å; R664-Y666 VanDerWaalsContact CB-CE1 3.5Å; R664-Y666 HydrophobicContact CG-CE1 4.3Å; R664-Y666 PolarHBondContact O-N 2.89Å
665	Q	90.6	Very high	87	Confident	84 Å²	84	33.5 Å²	33.5	39%	0.393	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	57.4	177.7	-60	-178.9	-41.1	0	0	113.5	N661 H751 I752 S753	N661-Q665 WeakPolarHBondContact O-CA 3.42Å; N661-Q665 PolarHBondContact O-N 2.88Å; Q665-H751 WeakPolarHBondContact O-CA 3.33Å; Q665-I752 HydrophobicContact CB-CG1 4.31Å; Q665-I752 WeakPolarHBondContact CB-O 3.49Å; Q665-I752 PolarHBondContact O-N 2.93Å; Q665-S753 PolarHBondContact NE2-O 3.3Å; Q665-S753 PolarHBondContact OE1-O 3.31Å
666	Y	92.8	Very high	84.9	Confident	5 Å²	5	35.9 Å²	35.9	2%	0.02	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	161.1	168.5	70	-96.7	0	0	0	111	R587 N661 R664 R749 F750 H751	R587-Y666 PolarHBondContact NE-OH 2.81Å; R587-Y666 PolarHBondContact NH2-OH 2.84Å; N661-Y666 HydrophobicContact CB-CD1 4Å; N661-Y666 HydrophobicContact CB-CD2 4.17Å; N661-Y666 HydrophobicContact CB-CE1 3.67Å; N661-Y666 HydrophobicContact CB-CE2 3.83Å; N661-Y666 HydrophobicContact CB-CG 4.23Å; N661-Y666 PolarHBondContact N-O 2.9Å; N661-Y666 PolarHBondContact ND2-OH 2.81Å; N661-Y666 PolarHBondContact O-N 2.83Å; R664-Y666 HydrophobicContact CB-CD1 3.59Å; R664-Y666 HydrophobicContact CB-CE1 3.5Å; R664-Y666 VanDerWaalsContact CB-CE1 3.5Å; R664-Y666 HydrophobicContact CG-CE1 4.3Å; R664-Y666 PolarHBondContact O-N 2.89Å; Y666-R749 HydrophobicContact CD2-CB 3.73Å; Y666-R749 HydrophobicContact CD2-CG 3.64Å; Y666-R749 HydrophobicContact CE2-CB 4.31Å; Y666-R749 HydrophobicContact CE2-CG 3.7Å; Y666-R749 HydrophobicContact CG-CB 4.04Å; Y666-R749 HydrophobicContact CG-CG 4.28Å; Y666-F750 CarbonylContact C-O 3.58Å; Y666-F750 WeakPolarHBondContact CA-O 3.4Å; Y666-F750 VanDerWaalsContact CB-O 3.3Å; Y666-F750 WeakPolarHBondContact CB-O 3.34Å; Y666-H751 AromaticContact CD1-CE1 3.9Å
667	Y	93.7	Very high	82.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	157.8	167.1	71	-84.7	0	0	0	112.2	L635 L636 T639 L658 A659 I669 F750 I752	L635-Y667 HydrophobicContact CD1-CD1 3.72Å; L635-Y667 HydrophobicContact CD1-CE1 3.74Å; L635-Y667 HydrophobicContact CD1-CG 4.49Å; L635-Y667 HydrophobicContact CD2-CD1 4.27Å; L635-Y667 HydrophobicContact CD2-CD2 4.44Å; L635-Y667 HydrophobicContact CD2-CE1 4.32Å; L635-Y667 HydrophobicContact CD2-CG 4.32Å; L635-Y667 HydrophobicContact CG-CD1 4.02Å; L635-Y667 HydrophobicContact CG-CE1 3.74Å; L635-Y667 PolarHBondContact O-OH 2.87Å; L636-Y667 HydrophobicContact CD2-CE2 4.47Å; L636-Y667 WeakPolarHBondContact CD2-OH 3.24Å; T639-Y667 HydrophobicContact CG2-CE1 3.69Å; T639-Y667 PolarHBondContact OG1-OH 3.27Å; L658-Y667 HydrophobicContact CD2-CD2 4.03Å; L658-Y667 HydrophobicContact CD2-CE2 4.38Å; A659-Y667 CarbonylContact O-C 3.49Å; A659-Y667 WeakPolarHBondContact O-CA 3.38Å; Y667-I669 HydrophobicContact CD2-CB 4.23Å; Y667-I669 HydrophobicContact CD2-CG2 4.48Å; Y667-I669 HydrophobicContact CE2-CB 4.12Å; Y667-I669 HydrophobicContact CE2-CG2 4.07Å; Y667-F750 HydrophobicContact CD1-CB 3.95Å; Y667-F750 HydrophobicContact CD2-CB 4.4Å; Y667-F750 HydrophobicContact CD2-CD2 4.45Å; Y667-F750 HydrophobicContact CE1-CB 3.62Å; Y667-F750 HydrophobicContact CE2-CB 4.08Å; Y667-F750 HydrophobicContact CE2-CD2 4.1Å; Y667-F750 HydrophobicContact CE2-CG 4.22Å; Y667-F750 HydrophobicContact CG-CB 4.33Å; Y667-F750 PolarHBondContact N-O 2.84Å; Y667-F750 PolarHBondContact O-N 3.37Å; Y667-I752 HydrophobicContact CD1-CG2 4.25Å; Y667-I752 HydrophobicContact CE1-CG2 4.04Å
668	C	92.9	Very high	79.3	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.02	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	151.7	164.6	-53	0	0	0	0	108.5	L658 A659 W738 L742 V747 K748	L658-C668 CarbonylContact C-O 3.5Å; L658-C668 WeakPolarHBondContact CA-O 3.33Å; A659-C668 HydrophobicContact CB-CB 4.1Å; A659-C668 PolarHBondContact N-O 2.87Å; A659-C668 PolarHBondContact O-N 3.14Å; C668-W738 HydrophobicContact CB-CH2 4.26Å; C668-W738 HydrophobicContact CB-CZ2 3.88Å; C668-L742 HydrophobicContact CB-CD1 3.67Å; C668-V747 HydrophobicContact CB-CG1 3.75Å; C668-K748 PolarHBondContact SG-O 3.14Å; C668-K748 VanDerWaalsContact SG-O 3.38Å
669	I	91.4	Very high	76.1	Confident	7 Å²	7	55.7 Å²	55.7	4%	0.036	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	134.5	-174.9	-174	176.3	0	0	0	111.3	F632 L636 T656 V657 L658 Y667 Y693 M697 W738 F750	F632-I669 HydrophobicContact CE2-CD1 4.17Å; F632-I669 HydrophobicContact CZ-CD1 4.06Å; L636-I669 HydrophobicContact CD2-CD1 4.19Å; T656-I669 HydrophobicContact CG2-CD1 3.77Å; T656-I669 HydrophobicContact CG2-CG1 3.65Å; V657-I669 WeakPolarHBondContact O-CA 3.42Å; L658-I669 HydrophobicContact CD2-CB 3.78Å; L658-I669 HydrophobicContact CD2-CD1 3.84Å; L658-I669 HydrophobicContact CD2-CG1 3.56Å; Y667-I669 HydrophobicContact CD2-CB 4.23Å; Y667-I669 HydrophobicContact CD2-CG2 4.48Å; Y667-I669 HydrophobicContact CE2-CB 4.12Å; Y667-I669 HydrophobicContact CE2-CG2 4.07Å; I669-Y693 WeakPolarHBondContact CB-OH 3.33Å; I669-Y693 HydrophobicContact CD1-CE1 4.34Å; I669-Y693 VanDerWaalsContact CD1-OH 3.31Å; I669-Y693 WeakPolarHBondContact CD1-OH 3.35Å; I669-Y693 WeakPolarHBondContact CG1-OH 3.49Å; I669-Y693 HydrophobicContact CG2-CE1 3.59Å; I669-Y693 HydrophobicContact CG2-CE2 4.47Å; I669-Y693 VanDerWaalsContact CG2-CZ 3.43Å; I669-Y693 WeakPolarHBondContact CG2-OH 3.46Å; I669-M697 HydrophobicContact CD1-SD 4.33Å; I669-W738 PolarHBondContact O-NE1 3.26Å; I669-F750 HydrophobicContact CG2-CD2 4.01Å; I669-F750 HydrophobicContact CG2-CE2 3.53Å; I669-F750 HydrophobicContact CG2-CZ 4.27Å
670	Y	91.3	Very high	73.1	Confident	20 Å²	20	59.1 Å²	59.1	8%	0.078	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	130.8	169	168.4	-99.5	0	0	0	107.9	T656 V657 P672 L731 L732 G734 L735 W738	T656-Y670 CarbonylContact C-O 3.59Å; T656-Y670 VanDerWaalsContact CA-O 3.28Å; T656-Y670 WeakPolarHBondContact CA-O 3.31Å; T656-Y670 VanDerWaalsContact CG2-O 3.24Å; T656-Y670 WeakPolarHBondContact CG2-O 3.4Å; V657-Y670 HydrophobicContact CB-CD1 4.14Å; V657-Y670 HydrophobicContact CG2-CD1 4.09Å; V657-Y670 PolarHBondContact N-O 2.72Å; V657-Y670 PolarHBondContact O-N 3.25Å; Y670-P672 HydrophobicContact CE1-CG 4.39Å; Y670-L731 PolarHBondContact OH-O 3.08Å; Y670-L731 VanDerWaalsContact OH-O 3.08Å; Y670-L732 HydrophobicContact CE1-CD2 4.18Å; Y670-G734 WeakPolarHBondContact OH-CA 3.5Å; Y670-G734 PolarHBondContact OH-N 2.89Å; Y670-L735 HydrophobicContact CD1-CD1 3.88Å; Y670-L735 HydrophobicContact CD2-CD1 4.41Å; Y670-L735 HydrophobicContact CE1-CB 4.18Å; Y670-L735 HydrophobicContact CE1-CD1 4.32Å; Y670-L735 HydrophobicContact CG-CD1 3.92Å; Y670-L735 PolarHBondContact OH-N 3.26Å; Y670-W738 HydrophobicContact CD2-CB 3.72Å; Y670-W738 AromaticContact CD2-CD1 3.95Å; Y670-W738 HydrophobicContact CD2-CD2 4.23Å; Y670-W738 AromaticContact CD2-CG 3.7Å; Y670-W738 HydrophobicContact CD2-CG 3.7Å; Y670-W738 HydrophobicContact CE2-CB 4.28Å; Y670-W738 HydrophobicContact CG-CD2 4.32Å; Y670-W738 HydrophobicContact CG-CG 4.27Å
671	H	87.1	Confident	69.8	Low	4 Å²	4	69.2 Å²	69.2	2%	0.019	34%	0.338	C	S	.	.			trans	-130	129.9	176	-170.5	-79.9	0	0	0	109.9	N652 T656 K673 Y674 M697	N652-H671 PolarHBondContact O-CE1 2.89Å; N652-H671 PolarHBondContact O-NE2 3.09Å; T656-H671 PolarHBondContact OG1-CD2 3.47Å; H671-K673 VanDerWaalsContact C-N 3.34Å; H671-K673 PolarHBondContact ND1-N 3.25Å; H671-K673 PolarHBondContact O-N 3.3Å; H671-Y674 PolarHBondContact O-N 3.23Å; H671-M697 HydrophobicContact CB-SD 4.42Å; H671-M697 VanDerWaalsContact CD2-CG 3.43Å; H671-M697 WeakPolarHBondContact CD2-CG 3.05Å; H671-M697 PolarHBondContact CD2-SD 3.02Å
672	P	80.7	Confident	67	Low	14 Å²	14	80 Å²	80	9%	0.091	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-43.1	-174	-26.5	33.4	0	0	0	114	Y670 Y674 L731	Y670-P672 HydrophobicContact CE1-CG 4.39Å; P672-Y674 PolarHBondContact O-N 3.3Å; P672-L731 HydrophobicContact CB-CB 4.33Å; P672-L731 HydrophobicContact CB-CD2 3.77Å; P672-L731 WeakPolarHBondContact CB-O 3.39Å; P672-L731 HydrophobicContact CG-CB 4.05Å; P672-L731 HydrophobicContact CG-CD2 3.92Å; P672-L731 WeakPolarHBondContact CG-O 3.28Å
673	K	70.3	Confident	64.3	Low	64 Å²	64	88 Å²	88	28%	0.278	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-21.5	178.9	-60.6	-173	-175.3	-178.9	0	113.3	N652 H671 R675 Q721 F726	N652-K673 VanDerWaalsContact CG-NZ 3.33Å; N652-K673 PolarHBondContact OD1-NZ 3.44Å; H671-K673 VanDerWaalsContact C-N 3.34Å; H671-K673 PolarHBondContact ND1-N 3.25Å; H671-K673 PolarHBondContact O-N 3.3Å; K673-R675 PolarHBondContact O-N 3.31Å; K673-Q721 PolarHBondContact O-NE2 3.15Å; K673-F726 HydrophobicContact CG-CD2 4.47Å; K673-F726 HydrophobicContact CG-CE2 4.33Å
674	Y	62.2	Low	61.9	Low	67 Å²	67	85.7 Å²	85.7	26%	0.263	41%	0.413	S	S	.	.			trans	-92.9	72.2	177.5	-170.1	-100	0	0	0	110.5	H671 P672 S676 Y693	H671-Y674 PolarHBondContact O-N 3.23Å; P672-Y674 PolarHBondContact O-N 3.3Å; Y674-S676 PolarHBondContact O-N 3.01Å; Y674-Y693 AromaticContact CD1-CD2 3.6Å; Y674-Y693 HydrophobicContact CD1-CD2 3.6Å; Y674-Y693 AromaticContact CD1-CE2 3.83Å; Y674-Y693 HydrophobicContact CD1-CE2 3.83Å; Y674-Y693 AromaticContact CD2-CD2 3.95Å; Y674-Y693 HydrophobicContact CD2-CD2 3.95Å; Y674-Y693 AromaticContact CE1-CD2 3.84Å; Y674-Y693 HydrophobicContact CE1-CD2 3.84Å; Y674-Y693 HydrophobicContact CE1-CE2 4.39Å; Y674-Y693 HydrophobicContact CE2-CD2 4.17Å; Y674-Y693 AromaticContact CG-CD2 3.66Å; Y674-Y693 HydrophobicContact CG-CD2 3.66Å; Y674-Y693 AromaticContact CG-CE2 3.99Å; Y674-Y693 HydrophobicContact CG-CE2 3.99Å
675	R	51.2	Low	59.2	Low	142 Å²	142	87.4 Å²	87.4	54%	0.536	42%	0.424	S	S	.	.			trans	-78.8	101.7	167.5	-146.6	173.2	-166.6	161.3	7.3	107	K673 S677	K673-R675 PolarHBondContact O-N 3.31Å; R675-S677 PolarHBondContact O-N 3.14Å
676	S	44.8	Very low	56.6	Low	49 Å²	49	91.6 Å²	91.6	34%	0.343	45%	0.449	S	S	.	.			trans	-49.1	116.6	169.1	-55.8	0	0	0	0	107.1	Y674 L678	Y674-S676 PolarHBondContact O-N 3.01Å; S676-L678 PolarHBondContact O-N 3.49Å
677	S	37.5	Very low	54	Low	95 Å²	95	101.6 Å²	101.6	66%	0.664	49%	0.487	S	S	*	.			trans	-37.3	117.1	-177.5	172.2	0	0	0	0	110.5	R675 K679	R675-S677 PolarHBondContact O-N 3.14Å; S677-K679 PolarHBondContact O-N 3.04Å; S677-K679 VanDerWaalsContact O-N 3.09Å; S677-K679 PolarHBondContact OG-N 2.59Å; S677-K679 PolarHBondContact OG-O 3Å
678	L	33.7	Very low	51.6	Low	141 Å²	141	105.1 Å²	105.1	74%	0.738	51%	0.506	S	S	*	.	S	Bend	trans	-72	9.8	175.7	-127	90	0	0	0	112	S676	S676-L678 PolarHBondContact O-N 3.49Å
679	K	29.5	Very low	49.3	Very low	181 Å²	181	111.2 Å²	111.2	79%	0.787	53%	0.532	S	S	*	.	S	Bend	trans	-131.1	127.3	-178.8	-74	-175.6	175	-178.8	0	110.4	S677	S677-K679 PolarHBondContact O-N 3.04Å; S677-K679 VanDerWaalsContact O-N 3.09Å; S677-K679 PolarHBondContact OG-N 2.59Å; S677-K679 PolarHBondContact OG-O 3Å
680	G	32.2	Very low	47.1	Very low	74 Å²	74	116 Å²	116	76%	0.763	55%	0.554	S	S	*	*			trans	90.6	91.8	156.8	0	0	0	0	0	114.6	R682	G680-R682 PolarHBondContact O-N 2.99Å
681	Y	25.7	Very low	44.9	Very low	212 Å²	212	117.3 Å²	117.3	83%	0.831	57%	0.565	S	S	*	*			trans	-53.3	96.9	153.9	-171.1	-90.6	0	0	0	109.6
682	R	33.6	Very low	43.1	Very low	230 Å²	230	121.1 Å²	121.1	87%	0.868	58%	0.579	S	S	*	*			trans	-137.4	122.6	159.3	-84.1	-171	175.3	165.5	-1.8	109.5	G680 S684	G680-R682 PolarHBondContact O-N 2.99Å; R682-S684 VanDerWaalsContact C-N 3.28Å; R682-S684 PolarHBondContact O-N 3.28Å
683	Q	32.3	Very low	41.8	Very low	175 Å²	175	121.3 Å²	121.3	82%	0.818	58%	0.578	S	S	*	*			trans	-66.3	81.3	178.3	-67.2	174.2	-7.4	0	0	109.7
684	S	35.8	Very low	41.1	Very low	75 Å²	75	118.7 Å²	118.7	52%	0.524	57%	0.567	S	S	.	*			trans	-87.6	139	167.2	-173.3	0	0	0	0	110.9	R682 N686	R682-S684 VanDerWaalsContact C-N 3.28Å; R682-S684 PolarHBondContact O-N 3.28Å; S684-N686 PolarHBondContact O-N 2.78Å
685	K	34.5	Very low	40.7	Very low	193 Å²	193	118.7 Å²	118.7	84%	0.839	57%	0.566	S	S	*	*			trans	-62	117.6	-163.8	-73.8	174.5	175.1	173.5	0	113.2	R687	K685-R687 VanDerWaalsContact C-N 3.32Å; K685-R687 PolarHBondContact O-N 2.67Å
686	N	36.6	Very low	40.9	Very low	172 Å²	172	112.7 Å²	112.7	92%	0.92	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	20.7	-0.4	144	-95.1	-5.8	0	0	0	126.2	S684	S684-N686 PolarHBondContact O-N 2.78Å
687	R	36.8	Very low	41.4	Very low	215 Å²	215	111 Å²	111	81%	0.811	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.8	-30.6	178	-97.6	180	148.5	-174.6	-9.7	117.5	K685 K689	K685-R687 VanDerWaalsContact C-N 3.32Å; K685-R687 PolarHBondContact O-N 2.67Å; R687-K689 PolarHBondContact O-N 3.38Å
688	D	44.1	Very low	42.1	Very low	75 Å²	75	109.8 Å²	109.8	40%	0.401	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	10.7	-172.6	-68.7	-52.5	0	0	0	117.1	Q690	D688-Q690 VanDerWaalsContact C-N 3.33Å
689	K	43.3	Very low	42.9	Very low	130 Å²	130	103.6 Å²	103.6	57%	0.565	50%	0.503	S	S	*	.	H	α-helix	trans	-77.2	-20.7	171.6	-73.5	-177.3	-179.5	174	0	112.8	R687	R687-K689 PolarHBondContact O-N 3.38Å
690	Q	46	Very low	43.6	Very low	107 Å²	107	97.1 Å²	97.1	50%	0.5	49%	0.487	S	S	.	.	H	α-helix	trans	-67.2	-51.9	179.4	-100.6	173	-33.7	0	0	111.9	D688 R692 Y693 F694 K748	D688-Q690 VanDerWaalsContact C-N 3.33Å; Q690-R692 PolarHBondContact O-N 3.14Å; Q690-Y693 PolarHBondContact O-N 3.47Å; Q690-F694 WeakPolarHBondContact O-CD2 3.41Å; Q690-K748 VanDerWaalsContact NE2-NZ 3.14Å
691	T	45.7	Very low	44.1	Very low	49 Å²	49	96.8 Å²	96.8	30%	0.301	47%	0.473	S	S	.	.	H	α-helix	trans	-63.4	-40.2	-177.7	15.8	0	0	0	0	111.7	Y693 R695	T691-Y693 PolarHBondContact O-N 3.35Å; T691-R695 VanDerWaalsContact O-CB 3.29Å; T691-R695 WeakPolarHBondContact O-CB 3.2Å; T691-R695 VanDerWaalsContact O-CG 3.27Å; T691-R695 WeakPolarHBondContact O-CG 3.25Å; T691-R695 PolarHBondContact O-N 2.91Å
692	R	49.1	Very low	44.9	Very low	83 Å²	83	94.7 Å²	94.7	31%	0.313	48%	0.476	S	S	.	.	H	α-helix	trans	-61.7	-37.4	176.5	-89.4	-173.4	-80.3	175.4	-19	114.4	Q690 S696	Q690-R692 PolarHBondContact O-N 3.14Å; R692-S696 PolarHBondContact O-N 2.91Å; R692-S696 VanDerWaalsContact O-N 3.12Å
693	Y	52.8	Low	45.2	Very low	18 Å²	18	92.3 Å²	92.3	7%	0.071	48%	0.475	C	S	.	.	H	α-helix	trans	-63.2	-51	-178.6	-177	-100	0	0	0	111.4	I669 Y674 Q690 T691 S696 M697 F750	I669-Y693 WeakPolarHBondContact CB-OH 3.33Å; I669-Y693 HydrophobicContact CD1-CE1 4.34Å; I669-Y693 VanDerWaalsContact CD1-OH 3.31Å; I669-Y693 WeakPolarHBondContact CD1-OH 3.35Å; I669-Y693 WeakPolarHBondContact CG1-OH 3.49Å; I669-Y693 HydrophobicContact CG2-CE1 3.59Å; I669-Y693 HydrophobicContact CG2-CE2 4.47Å; I669-Y693 VanDerWaalsContact CG2-CZ 3.43Å; I669-Y693 WeakPolarHBondContact CG2-OH 3.46Å; Y674-Y693 AromaticContact CD1-CD2 3.6Å; Y674-Y693 HydrophobicContact CD1-CD2 3.6Å; Y674-Y693 AromaticContact CD1-CE2 3.83Å; Y674-Y693 HydrophobicContact CD1-CE2 3.83Å; Y674-Y693 AromaticContact CD2-CD2 3.95Å; Y674-Y693 HydrophobicContact CD2-CD2 3.95Å; Y674-Y693 AromaticContact CE1-CD2 3.84Å; Y674-Y693 HydrophobicContact CE1-CD2 3.84Å; Y674-Y693 HydrophobicContact CE1-CE2 4.39Å; Y674-Y693 HydrophobicContact CE2-CD2 4.17Å; Y674-Y693 AromaticContact CG-CD2 3.66Å; Y674-Y693 HydrophobicContact CG-CD2 3.66Å; Y674-Y693 AromaticContact CG-CE2 3.99Å; Y674-Y693 HydrophobicContact CG-CE2 3.99Å; Q690-Y693 PolarHBondContact O-N 3.47Å; T691-Y693 PolarHBondContact O-N 3.35Å; Y693-S696 PolarHBondContact O-OG 3.18Å; Y693-M697 HydrophobicContact CD1-CE 3.7Å; Y693-M697 HydrophobicContact CE1-CE 3.32Å; Y693-M697 HydrophobicContact CE1-SD 4.37Å; Y693-F750 HydrophobicContact CD1-CZ 4.39Å; Y693-F750 HydrophobicContact CE1-CZ 4.44Å
694	F	55.8	Low	45.6	Very low	10 Å²	10	86.9 Å²	86.9	4%	0.044	45%	0.454	C	S	.	.	H	α-helix	trans	-72.4	-38.3	179.4	-68.2	-71.1	0	0	0	111.7	L636 V640 Q690 S696 M697 G698 I699 F750	L636-F694 HydrophobicContact CD2-CE1 4.25Å; V640-F694 HydrophobicContact CG1-CG 4.42Å; V640-F694 HydrophobicContact CG2-CD1 3.35Å; V640-F694 HydrophobicContact CG2-CD2 3.88Å; V640-F694 HydrophobicContact CG2-CE1 3.11Å; V640-F694 HydrophobicContact CG2-CE2 3.65Å; V640-F694 HydrophobicContact CG2-CG 3.76Å; V640-F694 HydrophobicContact CG2-CZ 3.28Å; Q690-F694 WeakPolarHBondContact O-CD2 3.41Å; F694-S696 VanDerWaalsContact C-N 3.28Å; F694-S696 PolarHBondContact O-N 3.22Å; F694-M697 HydrophobicContact CD1-CE 3.3Å; F694-M697 HydrophobicContact CE1-CE 3.62Å; F694-M697 HydrophobicContact CG-CE 4.19Å; F694-M697 WeakPolarHBondContact O-CA 3.3Å; F694-M697 WeakPolarHBondContact O-CB 3.27Å; F694-M697 PolarHBondContact O-N 3.15Å; F694-G698 PolarHBondContact O-N 3.29Å; F694-I699 CarbonylContact C-O 2.97Å; F694-I699 HydrophobicContact CB-CB 3.91Å; F694-I699 HydrophobicContact CB-CG2 3.83Å; F694-I699 HydrophobicContact CD1-CD1 4.23Å; F694-I699 HydrophobicContact CD1-CG2 4.43Å; F694-I699 HydrophobicContact CG-CG2 4.47Å; F694-I699 WeakPolarHBondContact O-CA 3.3Å; F694-I699 VanDerWaalsContact O-CB 3.27Å; F694-I699 WeakPolarHBondContact O-CB 3.44Å; F694-I699 PolarHBondContact O-N 2.84Å; F694-F750 AromaticContact CE2-CE1 3.99Å; F694-F750 HydrophobicContact CE2-CE1 3.99Å; F694-F750 HydrophobicContact CZ-CD1 4.49Å; F694-F750 AromaticContact CZ-CE1 3.81Å; F694-F750 HydrophobicContact CZ-CE1 3.81Å; F694-F750 HydrophobicContact CZ-CZ 4.29Å
695	R	54.1	Low	45.8	Very low	66 Å²	66	91.1 Å²	91.1	25%	0.249	47%	0.471	C	S	.	.	H	α-helix	trans	-57.5	-39.1	174.5	-79.7	-178.9	-169.7	158.2	5.4	112.7	T691 M697 G698 I699 T704 E714	T691-R695 VanDerWaalsContact O-CB 3.29Å; T691-R695 WeakPolarHBondContact O-CB 3.2Å; T691-R695 VanDerWaalsContact O-CG 3.27Å; T691-R695 WeakPolarHBondContact O-CG 3.25Å; T691-R695 PolarHBondContact O-N 2.91Å; R695-M697 PolarHBondContact O-N 3.49Å; R695-G698 WeakPolarHBondContact O-CA 3.41Å; R695-G698 PolarHBondContact O-N 3.37Å; R695-I699 VanDerWaalsContact CA-O 3.31Å; R695-I699 WeakPolarHBondContact CA-O 3.49Å; R695-I699 PolarHBondContact N-O 3.48Å; R695-T704 PolarHBondContact NH2-OG1 2.84Å; R695-E714 IonicContact NH1-OE1 3.39Å; R695-E714 PolarHBondContact NH1-OE1 3.42Å
696	S	54.7	Low	46.4	Very low	17 Å²	17	83.2 Å²	83.2	12%	0.119	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.4	176.2	77.3	0	0	0	0	114.2	R692 Y693 F694 G698	R692-S696 PolarHBondContact O-N 2.91Å; R692-S696 VanDerWaalsContact O-N 3.12Å; Y693-S696 PolarHBondContact O-OG 3.18Å; F694-S696 VanDerWaalsContact C-N 3.28Å; F694-S696 PolarHBondContact O-N 3.22Å; S696-G698 VanDerWaalsContact C-N 3.33Å
697	M	56.1	Low	46.8	Very low	14 Å²	14	77.8 Å²	77.8	7%	0.069	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-1.3	171.7	-65	-167.8	-78.8	0	0	112.8	I669 H671 Y693 F694 R695 I699	I669-M697 HydrophobicContact CD1-SD 4.33Å; H671-M697 HydrophobicContact CB-SD 4.42Å; H671-M697 VanDerWaalsContact CD2-CG 3.43Å; H671-M697 WeakPolarHBondContact CD2-CG 3.05Å; H671-M697 PolarHBondContact CD2-SD 3.02Å; Y693-M697 HydrophobicContact CD1-CE 3.7Å; Y693-M697 HydrophobicContact CE1-CE 3.32Å; Y693-M697 HydrophobicContact CE1-SD 4.37Å; F694-M697 HydrophobicContact CD1-CE 3.3Å; F694-M697 HydrophobicContact CE1-CE 3.62Å; F694-M697 HydrophobicContact CG-CE 4.19Å; F694-M697 WeakPolarHBondContact O-CA 3.3Å; F694-M697 WeakPolarHBondContact O-CB 3.27Å; F694-M697 PolarHBondContact O-N 3.15Å; R695-M697 PolarHBondContact O-N 3.49Å; M697-I699 HydrophobicContact CB-CD1 3.78Å; M697-I699 HydrophobicContact CB-CG1 4.13Å; M697-I699 HydrophobicContact CE-CD1 4.17Å
698	G	51.5	Low	47.3	Very low	68 Å²	68	73.1 Å²	73.1	70%	0.701	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	22	-172.3	0	0	0	0	0	113.6	F694 R695 S696	F694-G698 PolarHBondContact O-N 3.29Å; R695-G698 WeakPolarHBondContact O-CA 3.41Å; R695-G698 PolarHBondContact O-N 3.37Å; S696-G698 VanDerWaalsContact C-N 3.33Å
699	I	50.7	Low	47.4	Very low	12 Å²	12	77.5 Å²	77.5	6%	0.062	42%	0.42	C	S	.	.			trans	-113.5	103.1	-174.7	-58	166.8	0	0	0	108.3	L636 V640 L645 F694 R695 M697	L636-I699 HydrophobicContact CD1-CD1 3.88Å; V640-I699 HydrophobicContact CG1-CG2 4.34Å; L645-I699 HydrophobicContact CD2-CB 3.78Å; L645-I699 HydrophobicContact CD2-CD1 3.38Å; L645-I699 HydrophobicContact CD2-CG1 3.27Å; L645-I699 HydrophobicContact CD2-CG2 3.24Å; L645-I699 HydrophobicContact CG-CG2 4.2Å; F694-I699 CarbonylContact C-O 2.97Å; F694-I699 HydrophobicContact CB-CB 3.91Å; F694-I699 HydrophobicContact CB-CG2 3.83Å; F694-I699 HydrophobicContact CD1-CD1 4.23Å; F694-I699 HydrophobicContact CD1-CG2 4.43Å; F694-I699 HydrophobicContact CG-CG2 4.47Å; F694-I699 WeakPolarHBondContact O-CA 3.3Å; F694-I699 VanDerWaalsContact O-CB 3.27Å; F694-I699 WeakPolarHBondContact O-CB 3.44Å; F694-I699 PolarHBondContact O-N 2.84Å; R695-I699 VanDerWaalsContact CA-O 3.31Å; R695-I699 WeakPolarHBondContact CA-O 3.49Å; R695-I699 PolarHBondContact N-O 3.48Å; M697-I699 HydrophobicContact CB-CD1 3.78Å; M697-I699 HydrophobicContact CB-CG1 4.13Å; M697-I699 HydrophobicContact CE-CD1 4.17Å
700	G	44.7	Very low	47.5	Very low	45 Å²	45	74.2 Å²	74.2	46%	0.464	41%	0.406	S	S	.	.			trans	175.4	147.7	175.3	0	0	0	0	0	113
701	S	42.9	Very low	47.5	Very low	67 Å²	67	74 Å²	74	47%	0.469	40%	0.401	S	S	.	.			trans	-85.8	147.8	162.1	50	0	0	0	0	110	E703	S701-E703 PolarHBondContact O-N 2.87Å
702	D	41	Very low	47.5	Very low	167 Å²	167	76.5 Å²	76.5	89%	0.893	41%	0.412	S	S	*	.	S	Bend	trans	-76.9	5.9	-174.4	-82.7	-25.3	0	0	0	114.6
703	E	39.9	Very low	47.4	Very low	181 Å²	181	78.9 Å²	78.9	85%	0.846	43%	0.427	S	S	*	.			trans	-108.1	33	-159	-63.8	-163.3	162.4	0	0	117.1	S701	S701-E703 PolarHBondContact O-N 2.87Å
704	T	41.5	Very low	47.1	Very low	60 Å²	60	80.4 Å²	80.4	37%	0.368	43%	0.434	S	S	.	.			trans	-106.5	122.9	169.6	57.2	0	0	0	0	111.6	R695 T706	R695-T704 PolarHBondContact NH2-OG1 2.84Å; T704-T706 VanDerWaalsContact C-N 3.31Å; T704-T706 PolarHBondContact O-N 3.18Å
705	D	41.1	Very low	46.7	Very low	164 Å²	164	86.9 Å²	86.9	88%	0.877	46%	0.458	S	S	*	.			trans	-54.4	85.3	172.3	-74.1	-35.2	0	0	0	111.8
706	T	45.1	Very low	46.4	Very low	27 Å²	27	89.9 Å²	89.9	17%	0.166	48%	0.475	C	S	.	.			trans	-84.3	140.5	171.6	43.9	0	0	0	0	110.2	T704 R711	T704-T706 VanDerWaalsContact C-N 3.31Å; T704-T706 PolarHBondContact O-N 3.18Å; T706-R711 VanDerWaalsContact OG1-CG 3.25Å; T706-R711 WeakPolarHBondContact OG1-CG 3.46Å; T706-R711 PolarHBondContact OG1-NE 3.19Å
707	S	46.2	Very low	46.1	Very low	59 Å²	59	93 Å²	93	41%	0.413	49%	0.49	S	S	.	.			trans	-59.4	149.2	173.1	60.2	0	0	0	0	110.9	E709 E710 R711	S707-E709 PolarHBondContact O-N 2.99Å; S707-E710 PolarHBondContact N-OE2 3.45Å; S707-E710 CarbonylContact O-C 3.6Å; S707-E710 WeakPolarHBondContact O-CA 3.5Å; S707-E710 WeakPolarHBondContact O-CB 3.49Å; S707-E710 PolarHBondContact O-N 2.94Å; S707-E710 WeakPolarHBondContact OG-CB 3.39Å; S707-E710 VanDerWaalsContact OG-CG 3.25Å; S707-E710 WeakPolarHBondContact OG-CG 3.23Å; S707-E710 PolarHBondContact OG-N 3.19Å; S707-E710 PolarHBondContact OG-OE2 3.14Å; S707-R711 PolarHBondContact O-N 2.96Å
708	E	48.1	Very low	45.7	Very low	116 Å²	116	95.9 Å²	95.9	54%	0.542	51%	0.506	S	S	.	.	H	α-helix	trans	-58.1	-31.3	-180	-84.9	-66.7	129.5	0	0	112.8	R711 L712 R715	E708-R711 PolarHBondContact O-N 3.06Å; E708-R711 WeakPolarHBondContact OE1-CD 3.23Å; E708-R711 IonicContact OE1-CZ 3.05Å; E708-R711 IonicContact OE1-NH1 3.08Å; E708-R711 PolarHBondContact OE1-NH1 3.03Å; E708-R711 VanDerWaalsContact OE1-NH1 3.08Å; E708-L712 PolarHBondContact O-N 3.08Å; E708-R715 IonicContact OE2-NH2 3.99Å
709	E	45.1	Very low	45.5	Very low	167 Å²	167	98.1 Å²	98.1	78%	0.78	50%	0.498	S	S	*	.	H	α-helix	trans	-65.7	-43	173.6	-122.2	176.5	180	0	0	111.7	S707 L712 E713	S707-E709 PolarHBondContact O-N 2.99Å; E709-L712 PolarHBondContact O-N 3.39Å; E709-E713 PolarHBondContact O-N 3.3Å
710	E	45	Very low	45.4	Very low	61 Å²	61	102.1 Å²	102.1	29%	0.285	52%	0.522	S	S	.	.	H	α-helix	trans	-67.2	-37.1	173.8	-76	172	146	0	0	111.9	S707 L712 E713 E714	S707-E710 PolarHBondContact N-OE2 3.45Å; S707-E710 CarbonylContact O-C 3.6Å; S707-E710 WeakPolarHBondContact O-CA 3.5Å; S707-E710 WeakPolarHBondContact O-CB 3.49Å; S707-E710 PolarHBondContact O-N 2.94Å; S707-E710 WeakPolarHBondContact OG-CB 3.39Å; S707-E710 VanDerWaalsContact OG-CG 3.25Å; S707-E710 WeakPolarHBondContact OG-CG 3.23Å; S707-E710 PolarHBondContact OG-N 3.19Å; S707-E710 PolarHBondContact OG-OE2 3.14Å; E710-L712 VanDerWaalsContact C-N 3.31Å; E710-L712 PolarHBondContact O-N 3.23Å; E710-E713 PolarHBondContact O-N 3.44Å; E710-E714 WeakPolarHBondContact O-CB 3.42Å; E710-E714 VanDerWaalsContact O-CG 3.3Å; E710-E714 WeakPolarHBondContact O-CG 3.47Å; E710-E714 PolarHBondContact O-N 2.77Å
711	R	46.1	Very low	45.7	Very low	104 Å²	104	102.7 Å²	102.7	39%	0.392	51%	0.513	S	S	.	.	H	α-helix	trans	-64.9	-33.1	174.1	-74.7	-179.3	176	178.6	-3.6	112.8	T706 S707 E708 R715	T706-R711 VanDerWaalsContact OG1-CG 3.25Å; T706-R711 WeakPolarHBondContact OG1-CG 3.46Å; T706-R711 PolarHBondContact OG1-NE 3.19Å; S707-R711 PolarHBondContact O-N 2.96Å; E708-R711 PolarHBondContact O-N 3.06Å; E708-R711 WeakPolarHBondContact OE1-CD 3.23Å; E708-R711 IonicContact OE1-CZ 3.05Å; E708-R711 IonicContact OE1-NH1 3.08Å; E708-R711 PolarHBondContact OE1-NH1 3.03Å; E708-R711 VanDerWaalsContact OE1-NH1 3.08Å; R711-R715 VanDerWaalsContact O-CB 3.31Å; R711-R715 WeakPolarHBondContact O-CB 3.29Å; R711-R715 WeakPolarHBondContact O-CG 3.42Å; R711-R715 PolarHBondContact O-N 3.44Å
712	L	46.3	Very low	45.9	Very low	100 Å²	100	107.4 Å²	107.4	52%	0.524	53%	0.525	S	S	.	.	H	α-helix	trans	-74.8	-43.9	178	-154.9	85.4	0	0	0	110.9	E708 E709 E710 R715 H716	E708-L712 PolarHBondContact O-N 3.08Å; E709-L712 PolarHBondContact O-N 3.39Å; E710-L712 VanDerWaalsContact C-N 3.31Å; E710-L712 PolarHBondContact O-N 3.23Å; L712-R715 PolarHBondContact O-N 3.05Å; L712-H716 WeakPolarHBondContact O-CB 3.26Å; L712-H716 PolarHBondContact O-CD2 2.9Å; L712-H716 PolarHBondContact O-N 3.07Å
713	E	46.5	Very low	46.3	Very low	134 Å²	134	107 Å²	107	63%	0.626	52%	0.515	S	S	*	.	H	α-helix	trans	-63.9	-39.4	171.9	-78.4	-166.5	161.6	0	0	111.8	E709 E710 H716 L717	E709-E713 PolarHBondContact O-N 3.3Å; E710-E713 PolarHBondContact O-N 3.44Å; E713-H716 PolarHBondContact O-N 3.03Å; E713-L717 WeakPolarHBondContact O-CB 3.4Å; E713-L717 WeakPolarHBondContact O-CG 3.11Å; E713-L717 PolarHBondContact O-N 2.84Å
714	E	46.2	Very low	46.8	Very low	50 Å²	50	104.2 Å²	104.2	23%	0.234	50%	0.5	C	S	.	.	H	α-helix	trans	-63.4	-48.9	173.5	-83	-174.5	152.9	0	0	110.9	R695 E710 H716 L717 D718	R695-E714 IonicContact NH1-OE1 3.39Å; R695-E714 PolarHBondContact NH1-OE1 3.42Å; E710-E714 WeakPolarHBondContact O-CB 3.42Å; E710-E714 VanDerWaalsContact O-CG 3.3Å; E710-E714 WeakPolarHBondContact O-CG 3.47Å; E710-E714 PolarHBondContact O-N 2.77Å; E714-H716 VanDerWaalsContact C-N 3.26Å; E714-H716 PolarHBondContact O-N 3.33Å; E714-L717 PolarHBondContact O-N 3.47Å; E714-L717 VanDerWaalsContact O-N 3.11Å; E714-D718 WeakPolarHBondContact O-CB 3.42Å; E714-D718 PolarHBondContact O-N 3.2Å
715	R	48.2	Very low	47.8	Very low	146 Å²	146	106.7 Å²	106.7	55%	0.551	52%	0.521	S	S	*	.	H	α-helix	trans	-58.7	-38.6	175.4	-86.6	-173	-86	-159.3	-4.1	111.9	E708 R711 L712 E719	E708-R715 IonicContact OE2-NH2 3.99Å; R711-R715 VanDerWaalsContact O-CB 3.31Å; R711-R715 WeakPolarHBondContact O-CB 3.29Å; R711-R715 WeakPolarHBondContact O-CG 3.42Å; R711-R715 PolarHBondContact O-N 3.44Å; L712-R715 PolarHBondContact O-N 3.05Å; R715-E719 VanDerWaalsContact O-CB 3.22Å; R715-E719 WeakPolarHBondContact O-CB 3.24Å; R715-E719 WeakPolarHBondContact O-CG 3.22Å; R715-E719 PolarHBondContact O-N 2.85Å
716	H	48	Very low	49.1	Very low	128 Å²	128	101.9 Å²	101.9	59%	0.593	49%	0.492	S	S	*	.	H	α-helix	trans	-66.4	-42.8	173.9	-95.4	-78.9	0	0	0	112.6	L712 E713 E714 V720	L712-H716 WeakPolarHBondContact O-CB 3.26Å; L712-H716 PolarHBondContact O-CD2 2.9Å; L712-H716 PolarHBondContact O-N 3.07Å; E713-H716 PolarHBondContact O-N 3.03Å; E714-H716 VanDerWaalsContact C-N 3.26Å; E714-H716 PolarHBondContact O-N 3.33Å; H716-V720 VanDerWaalsContact O-CB 3.29Å; H716-V720 WeakPolarHBondContact O-CB 3.37Å; H716-V720 WeakPolarHBondContact O-CG2 2.99Å; H716-V720 PolarHBondContact O-N 3.45Å
717	L	47	Very low	50.7	Low	82 Å²	82	107.3 Å²	107.3	43%	0.429	51%	0.513	S	S	.	.	H	α-helix	trans	-66.1	-44.5	176.5	-79	162.3	0	0	0	111.6	E713 E714 V720 Q721	E713-L717 WeakPolarHBondContact O-CB 3.4Å; E713-L717 WeakPolarHBondContact O-CG 3.11Å; E713-L717 PolarHBondContact O-N 2.84Å; E714-L717 PolarHBondContact O-N 3.47Å; E714-L717 VanDerWaalsContact O-N 3.11Å; L717-V720 PolarHBondContact O-N 3.36Å; L717-Q721 WeakPolarHBondContact O-CB 3.44Å; L717-Q721 VanDerWaalsContact O-CG 3.28Å; L717-Q721 WeakPolarHBondContact O-CG 3.16Å; L717-Q721 PolarHBondContact O-N 3.34Å
718	D	47.9	Very low	52.4	Low	76 Å²	76	106.9 Å²	106.9	41%	0.406	51%	0.508	S	S	.	.	H	α-helix	trans	-66.7	-39.8	178.1	-113.7	28.7	0	0	0	111.4	E714 Q721 K722	E714-D718 WeakPolarHBondContact O-CB 3.42Å; E714-D718 PolarHBondContact O-N 3.2Å; D718-Q721 PolarHBondContact O-N 3.4Å; D718-K722 WeakPolarHBondContact O-CB 3.43Å; D718-K722 WeakPolarHBondContact O-CG 3.27Å; D718-K722 PolarHBondContact O-N 3.46Å; D718-K722 IonicContact OD2-NZ 2.76Å
719	E	48.5	Very low	54	Low	115 Å²	115	106.2 Å²	106.2	54%	0.537	51%	0.505	S	S	.	.	H	α-helix	trans	-65.8	-44.2	173.8	-86.5	-142.5	-172.5	0	0	111.7	R715 Q721 K723	R715-E719 VanDerWaalsContact O-CB 3.22Å; R715-E719 WeakPolarHBondContact O-CB 3.24Å; R715-E719 WeakPolarHBondContact O-CG 3.22Å; R715-E719 PolarHBondContact O-N 2.85Å; E719-Q721 VanDerWaalsContact C-N 3.3Å; E719-Q721 PolarHBondContact O-N 3.27Å; E719-K723 VanDerWaalsContact O-CB 3.31Å; E719-K723 WeakPolarHBondContact O-CB 3.34Å; E719-K723 VanDerWaalsContact O-CG 3.31Å; E719-K723 WeakPolarHBondContact O-CG 3.43Å; E719-K723 PolarHBondContact O-N 3.37Å; E719-K723 VanDerWaalsContact O-N 3.17Å; E719-K723 IonicContact OE2-NZ 3.94Å; E719-K723 PolarHBondContact OE2-NZ 3.28Å
720	V	48.3	Very low	55.8	Low	95 Å²	95	101.4 Å²	101.4	58%	0.576	48%	0.482	S	S	*	.	H	α-helix	trans	-66.2	-34.9	178.4	171.4	0	0	0	0	110.8	H716 L717	H716-V720 VanDerWaalsContact O-CB 3.29Å; H716-V720 WeakPolarHBondContact O-CB 3.37Å; H716-V720 WeakPolarHBondContact O-CG2 2.99Å; H716-V720 PolarHBondContact O-N 3.45Å; L717-V720 PolarHBondContact O-N 3.36Å
721	Q	50.2	Low	57.8	Low	57 Å²	57	99.5 Å²	99.5	27%	0.266	47%	0.474	S	S	.	.	H	α-helix	trans	-82.9	-41.6	-179.9	-76.3	178.9	-10.9	0	0	113.5	K673 L717 D718 E719 K723 K724	K673-Q721 PolarHBondContact O-NE2 3.15Å; L717-Q721 WeakPolarHBondContact O-CB 3.44Å; L717-Q721 VanDerWaalsContact O-CG 3.28Å; L717-Q721 WeakPolarHBondContact O-CG 3.16Å; L717-Q721 PolarHBondContact O-N 3.34Å; D718-Q721 PolarHBondContact O-N 3.4Å; E719-Q721 VanDerWaalsContact C-N 3.3Å; E719-Q721 PolarHBondContact O-N 3.27Å; Q721-K723 PolarHBondContact O-N 2.97Å; Q721-K724 PolarHBondContact O-N 3.28Å
722	K	48.5	Very low	59.9	Low	166 Å²	166	94.5 Å²	94.5	72%	0.722	46%	0.455	S	S	*	.	H	α-helix	trans	-63.7	-30.9	175.2	-78.2	179.2	179.7	164.7	0	111.7	D718 K724	D718-K722 WeakPolarHBondContact O-CB 3.43Å; D718-K722 WeakPolarHBondContact O-CG 3.27Å; D718-K722 PolarHBondContact O-N 3.46Å; D718-K722 IonicContact OD2-NZ 2.76Å; K722-K724 VanDerWaalsContact C-N 3.33Å
723	K	47.6	Very low	61.8	Low	158 Å²	158	95 Å²	95	69%	0.687	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-11	177	-72.9	173.2	179.2	161	0	114	E719 Q721	E719-K723 VanDerWaalsContact O-CB 3.31Å; E719-K723 WeakPolarHBondContact O-CB 3.34Å; E719-K723 VanDerWaalsContact O-CG 3.31Å; E719-K723 WeakPolarHBondContact O-CG 3.43Å; E719-K723 PolarHBondContact O-N 3.37Å; E719-K723 VanDerWaalsContact O-N 3.17Å; E719-K723 IonicContact OE2-NZ 3.94Å; E719-K723 PolarHBondContact OE2-NZ 3.28Å; Q721-K723 PolarHBondContact O-N 2.97Å
724	K	51.9	Low	63.6	Low	123 Å²	123	89.4 Å²	89.4	54%	0.535	43%	0.433	S	S	.	.			trans	-110.1	91.5	178.3	-110.4	-174.8	174.9	-170.3	0	111.5	Q721 K722 F726	Q721-K724 PolarHBondContact O-N 3.28Å; K722-K724 VanDerWaalsContact C-N 3.33Å; K724-F726 HydrophobicContact CB-CZ 4.44Å; K724-F726 HydrophobicContact CD-CE1 4.29Å; K724-F726 HydrophobicContact CD-CZ 4.46Å; K724-F726 PolarHBondContact O-N 3.16Å
725	S	60.9	Low	65.7	Low	113 Å²	113	87 Å²	87	79%	0.79	42%	0.422	S	S	*	.			trans	-68.5	110.4	156	63.8	0	0	0	0	107.9
726	F	69.2	Low	67.7	Low	63 Å²	63	82.4 Å²	82.4	28%	0.276	41%	0.411	S	S	.	.			trans	-69	135.1	175	-67	-81.4	0	0	0	109.7	K673 K724 E730 L731	K673-F726 HydrophobicContact CG-CD2 4.47Å; K673-F726 HydrophobicContact CG-CE2 4.33Å; K724-F726 HydrophobicContact CB-CZ 4.44Å; K724-F726 HydrophobicContact CD-CE1 4.29Å; K724-F726 HydrophobicContact CD-CZ 4.46Å; K724-F726 PolarHBondContact O-N 3.16Å; F726-E730 HydrophobicContact CD1-CB 4.4Å; F726-L731 HydrophobicContact CB-CD2 3.82Å
727	K	79.7	Confident	69.5	Low	140 Å²	140	80.9 Å²	80.9	61%	0.609	41%	0.407	S	S	*	.			trans	-69	152.4	166	-63	-176.8	175.9	178.2	0	109	E729 E730	K727-E729 VanDerWaalsContact CB-OE2 3.3Å; K727-E729 WeakPolarHBondContact CB-OE2 3.4Å; K727-E729 PolarHBondContact O-N 2.6Å; K727-E729 VanDerWaalsContact O-N 3.14Å; K727-E730 HydrophobicContact CB-CG 4.39Å; K727-E730 PolarHBondContact O-N 3.5Å
728	V	81.7	Confident	71.6	Confident	50 Å²	50	78.2 Å²	78.2	30%	0.303	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-55.6	-35.3	-178.2	175.4	0	0	0	0	110.9	T600 L601 E730 L731	T600-V728 HydrophobicContact CG2-CG1 4.33Å; L601-V728 HydrophobicContact CD2-CG1 4.27Å; L601-V728 HydrophobicContact CG-CG1 4.13Å; V728-E730 PolarHBondContact O-N 3.45Å; V728-L731 HydrophobicContact CG1-CD1 4.43Å; V728-L731 PolarHBondContact O-N 2.93Å
729	E	80.9	Confident	73.7	Confident	102 Å²	102	74.7 Å²	74.7	48%	0.477	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-66.8	-22.8	-179	-58.7	73.5	-155.9	0	0	113.4	T600 Q604 K727	T600-E729 HydrophobicContact CG2-CG 4.33Å; Q604-E729 PolarHBondContact NE2-O 2.91Å; K727-E729 VanDerWaalsContact CB-OE2 3.3Å; K727-E729 WeakPolarHBondContact CB-OE2 3.4Å; K727-E729 PolarHBondContact O-N 2.6Å; K727-E729 VanDerWaalsContact O-N 3.14Å
730	E	83.6	Confident	75.6	Confident	67 Å²	67	73.2 Å²	73.2	31%	0.313	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-92.7	-11.2	-176.8	-63	177.7	-174.9	0	0	112.6	F726 K727 V728 L732 E733	F726-E730 HydrophobicContact CD1-CB 4.4Å; K727-E730 HydrophobicContact CB-CG 4.39Å; K727-E730 PolarHBondContact O-N 3.5Å; V728-E730 PolarHBondContact O-N 3.45Å; E730-L732 VanDerWaalsContact C-N 3.28Å; E730-L732 PolarHBondContact O-N 3.31Å; E730-E733 PolarHBondContact O-N 3.19Å
731	L	86.6	Confident	77.5	Confident	20 Å²	20	73.9 Å²	73.9	11%	0.105	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-30.5	-169.3	-68.4	174.5	0	0	0	113.6	L601 V654 Y670 P672 F726 V728	L601-L731 HydrophobicContact CD2-CB 4.28Å; L601-L731 HydrophobicContact CD2-CD1 4.37Å; V654-L731 HydrophobicContact CG1-CD1 4.01Å; Y670-L731 PolarHBondContact OH-O 3.08Å; Y670-L731 VanDerWaalsContact OH-O 3.08Å; P672-L731 HydrophobicContact CB-CB 4.33Å; P672-L731 HydrophobicContact CB-CD2 3.77Å; P672-L731 WeakPolarHBondContact CB-O 3.39Å; P672-L731 HydrophobicContact CG-CB 4.05Å; P672-L731 HydrophobicContact CG-CD2 3.92Å; P672-L731 WeakPolarHBondContact CG-O 3.28Å; F726-L731 HydrophobicContact CB-CD2 3.82Å; V728-L731 HydrophobicContact CG1-CD1 4.43Å; V728-L731 PolarHBondContact O-N 2.93Å
732	L	90.5	Very high	79.4	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	4.2	-177.2	-60.2	-176.1	0	0	0	114	V591 L601 Q604 F605 M608 G655 V657 Y670 E730 G734 L735	V591-L732 HydrophobicContact CG2-CD2 4.42Å; L601-L732 HydrophobicContact CD2-CD1 3.96Å; L601-L732 HydrophobicContact CD2-CG 3.89Å; Q604-L732 HydrophobicContact CB-CD1 4.02Å; F605-L732 HydrophobicContact CB-CD1 3.99Å; M608-L732 HydrophobicContact CE-CB 3.64Å; M608-L732 WeakPolarHBondContact CE-O 3.33Å; M608-L732 HydrophobicContact SD-CB 3.96Å; G655-L732 WeakPolarHBondContact O-CD2 3.23Å; V657-L732 HydrophobicContact CG2-CD2 3.99Å; Y670-L732 HydrophobicContact CE1-CD2 4.18Å; E730-L732 VanDerWaalsContact C-N 3.28Å; E730-L732 PolarHBondContact O-N 3.31Å; L732-G734 PolarHBondContact O-N 3.11Å; L732-G734 VanDerWaalsContact O-N 3.1Å; L732-L735 HydrophobicContact CB-CB 4.33Å; L732-L735 HydrophobicContact CD2-CD2 4.29Å; L732-L735 WeakPolarHBondContact O-CB 3.26Å; L732-L735 PolarHBondContact O-N 3.46Å
733	E	85.3	Confident	81.3	Confident	110 Å²	110	66.7 Å²	66.7	51%	0.514	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-31.7	-178	-77.1	-173	175.7	0	0	113.7	E730	E730-E733 PolarHBondContact O-N 3.19Å
734	G	84.5	Confident	83.2	Confident	16 Å²	16	64.9 Å²	64.9	17%	0.165	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-7.8	178.3	0	0	0	0	0	114.3	Y670 L732 W738	Y670-G734 WeakPolarHBondContact OH-CA 3.5Å; Y670-G734 PolarHBondContact OH-N 2.89Å; L732-G734 PolarHBondContact O-N 3.11Å; L732-G734 VanDerWaalsContact O-N 3.1Å; G734-W738 PolarHBondContact O-N 2.83Å
735	L	91.3	Very high	84.7	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65.9	-43	-173.2	-177.1	67.7	0	0	0	113.2	F605 M608 V657 Y670 L732 N737 W738 L739	F605-L735 HydrophobicContact CD2-CD2 3.67Å; F605-L735 HydrophobicContact CE2-CD2 4.08Å; M608-L735 HydrophobicContact SD-CB 3.89Å; M608-L735 HydrophobicContact SD-CD2 3.79Å; M608-L735 HydrophobicContact SD-CG 4.25Å; V657-L735 HydrophobicContact CB-CD1 3.88Å; V657-L735 HydrophobicContact CG1-CD1 4.09Å; V657-L735 HydrophobicContact CG2-CD1 3.81Å; V657-L735 HydrophobicContact CG2-CD2 4.02Å; Y670-L735 HydrophobicContact CD1-CD1 3.88Å; Y670-L735 HydrophobicContact CD2-CD1 4.41Å; Y670-L735 HydrophobicContact CE1-CB 4.18Å; Y670-L735 HydrophobicContact CE1-CD1 4.32Å; Y670-L735 HydrophobicContact CG-CD1 3.92Å; Y670-L735 PolarHBondContact OH-N 3.26Å; L732-L735 HydrophobicContact CB-CB 4.33Å; L732-L735 HydrophobicContact CD2-CD2 4.29Å; L732-L735 WeakPolarHBondContact O-CB 3.26Å; L732-L735 PolarHBondContact O-N 3.46Å; L735-N737 PolarHBondContact O-N 3.31Å; L735-W738 HydrophobicContact CD1-CE3 3.84Å; L735-W738 HydrophobicContact CD1-CZ3 4.32Å; L735-W738 CarbonylContact O-C 3.53Å; L735-W738 WeakPolarHBondContact O-CA 3.44Å; L735-W738 WeakPolarHBondContact O-CB 3.35Å; L735-W738 PolarHBondContact O-N 2.89Å; L735-L739 HydrophobicContact CD1-CG 4.19Å; L735-L739 HydrophobicContact CD2-CD1 4.37Å; L735-L739 HydrophobicContact CG-CD1 4.01Å; L735-L739 HydrophobicContact CG-CG 4.1Å; L735-L739 WeakPolarHBondContact O-CG 3.49Å; L735-L739 PolarHBondContact O-N 2.9Å
736	P	89.3	Confident	85.8	Confident	50 Å²	50	60.3 Å²	60.3	33%	0.325	31%	0.307	S	S	.	.	H	α-helix	trans	-56.2	-48.5	-179.8	-27.2	36.5	0	0	0	112.7	M608 W738 L739 D740	M608-P736 HydrophobicContact CG-CG 4.16Å; M608-P736 HydrophobicContact SD-CG 3.97Å; P736-W738 VanDerWaalsContact C-N 3.26Å; P736-W738 PolarHBondContact O-N 3.32Å; P736-L739 WeakPolarHBondContact O-CB 3.47Å; P736-L739 PolarHBondContact O-N 2.68Å; P736-L739 VanDerWaalsContact O-N 3.12Å; P736-D740 PolarHBondContact O-N 3.35Å
737	N	85.5	Confident	86.6	Confident	96 Å²	96	58.1 Å²	58.1	51%	0.513	30%	0.299	S	S	.	.	H	α-helix	trans	-63.2	-32.4	176.7	-68.6	-15.1	0	0	0	112.6	L735 R741	L735-N737 PolarHBondContact O-N 3.31Å; N737-R741 WeakPolarHBondContact O-CG 3.47Å; N737-R741 PolarHBondContact O-N 3.49Å
738	W	91.2	Very high	86.7	Confident	26 Å²	26	56.3 Å²	56.3	10%	0.098	29%	0.291	C	S	.	.	H	α-helix	trans	-72.8	-36.8	175.5	-178.5	94	0	0	0	112	L589 V657 A659 C668 I669 Y670 G734 L735 P736 R741 L742 V747	L589-W738 HydrophobicContact CD2-CZ3 4.42Å; V657-W738 HydrophobicContact CG1-CZ3 4.45Å; A659-W738 HydrophobicContact CB-CH2 3.99Å; C668-W738 HydrophobicContact CB-CH2 4.26Å; C668-W738 HydrophobicContact CB-CZ2 3.88Å; I669-W738 PolarHBondContact O-NE1 3.26Å; Y670-W738 HydrophobicContact CD2-CB 3.72Å; Y670-W738 AromaticContact CD2-CD1 3.95Å; Y670-W738 HydrophobicContact CD2-CD2 4.23Å; Y670-W738 AromaticContact CD2-CG 3.7Å; Y670-W738 HydrophobicContact CD2-CG 3.7Å; Y670-W738 HydrophobicContact CE2-CB 4.28Å; Y670-W738 HydrophobicContact CG-CD2 4.32Å; Y670-W738 HydrophobicContact CG-CG 4.27Å; G734-W738 PolarHBondContact O-N 2.83Å; L735-W738 HydrophobicContact CD1-CE3 3.84Å; L735-W738 HydrophobicContact CD1-CZ3 4.32Å; L735-W738 CarbonylContact O-C 3.53Å; L735-W738 WeakPolarHBondContact O-CA 3.44Å; L735-W738 WeakPolarHBondContact O-CB 3.35Å; L735-W738 PolarHBondContact O-N 2.89Å; P736-W738 VanDerWaalsContact C-N 3.26Å; P736-W738 PolarHBondContact O-N 3.32Å; W738-R741 PolarHBondContact O-N 3.42Å; W738-L742 HydrophobicContact CE3-CB 4.4Å; W738-L742 HydrophobicContact CE3-CD2 4.48Å; W738-L742 HydrophobicContact CH2-CD1 4.1Å; W738-L742 HydrophobicContact CH2-CD2 3.94Å; W738-L742 HydrophobicContact CH2-CG 4.44Å; W738-L742 HydrophobicContact CZ2-CD1 4.31Å; W738-L742 HydrophobicContact CZ3-CB 4.38Å; W738-L742 HydrophobicContact CZ3-CD2 3.74Å; W738-L742 HydrophobicContact CZ3-CG 4.45Å; W738-L742 WeakPolarHBondContact O-CB 3.2Å; W738-L742 PolarHBondContact O-N 3.02Å; W738-V747 HydrophobicContact CZ2-CG1 3.92Å
739	L	91.6	Very high	87.1	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-63	-43.2	175.3	-72.8	172.1	0	0	0	111.4	L589 W612 L735 P736 R741 L742 F743	L589-L739 HydrophobicContact CD1-CD2 3.96Å; L589-L739 HydrophobicContact CD2-CD2 4.26Å; W612-L739 HydrophobicContact CH2-CB 4.36Å; W612-L739 HydrophobicContact CH2-CD1 4.4Å; W612-L739 HydrophobicContact CZ3-CD1 3.96Å; L735-L739 HydrophobicContact CD1-CG 4.19Å; L735-L739 HydrophobicContact CD2-CD1 4.37Å; L735-L739 HydrophobicContact CG-CD1 4.01Å; L735-L739 HydrophobicContact CG-CG 4.1Å; L735-L739 WeakPolarHBondContact O-CG 3.49Å; L735-L739 PolarHBondContact O-N 2.9Å; P736-L739 WeakPolarHBondContact O-CB 3.47Å; P736-L739 PolarHBondContact O-N 2.68Å; P736-L739 VanDerWaalsContact O-N 3.12Å; L739-R741 VanDerWaalsContact C-N 3.35Å; L739-R741 PolarHBondContact O-N 3.04Å; L739-L742 HydrophobicContact CD2-CD2 4.32Å; L739-L742 WeakPolarHBondContact O-CB 3.45Å; L739-L742 PolarHBondContact O-N 3.27Å; L739-L742 VanDerWaalsContact O-N 3.11Å; L739-F743 HydrophobicContact CB-CE2 4.14Å; L739-F743 HydrophobicContact CD2-CE2 4.4Å; L739-F743 WeakPolarHBondContact O-CD2 3.21Å; L739-F743 WeakPolarHBondContact O-CG 3.32Å; L739-F743 PolarHBondContact O-N 2.94Å
740	D	88.7	Confident	87.5	Confident	84 Å²	84	54.4 Å²	54.4	45%	0.449	27%	0.274	S	S	.	.	H	α-helix	trans	-57.6	-49.7	175	-69.3	-23.8	0	0	0	110.8	P736 L742 F743 D744	P736-D740 PolarHBondContact O-N 3.35Å; D740-L742 VanDerWaalsContact C-N 3.29Å; D740-L742 PolarHBondContact O-N 2.72Å; D740-F743 PolarHBondContact O-N 3.06Å; D740-D744 PolarHBondContact O-N 3.09Å
741	R	88.2	Confident	87.8	Confident	109 Å²	109	57 Å²	57	41%	0.411	29%	0.286	S	S	.	.	H	α-helix	trans	-62.3	-34.9	176	-68.2	178.8	62.1	-170.2	-3.9	112.8	N737 W738 L739 G745 N746 V747	N737-R741 WeakPolarHBondContact O-CG 3.47Å; N737-R741 PolarHBondContact O-N 3.49Å; W738-R741 PolarHBondContact O-N 3.42Å; L739-R741 VanDerWaalsContact C-N 3.35Å; L739-R741 PolarHBondContact O-N 3.04Å; R741-G745 PolarHBondContact O-N 2.98Å; R741-G745 VanDerWaalsContact O-N 3.15Å; R741-N746 HydrophobicContact CB-CB 4.3Å; R741-N746 PolarHBondContact NH2-O 3.37Å; R741-N746 WeakPolarHBondContact O-CA 3.29Å; R741-N746 PolarHBondContact O-N 2.92Å; R741-V747 HydrophobicContact CB-CG2 3.68Å
742	L	90.5	Very high	87.9	Confident	6 Å²	6	56.6 Å²	56.6	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-64.8	-43	178.4	177.3	73.8	0	0	0	110.5	L589 A659 C668 W738 L739 D740 G745 V747	L589-L742 HydrophobicContact CD2-CD2 3.74Å; A659-L742 HydrophobicContact CB-CD1 3.89Å; A659-L742 HydrophobicContact CB-CD2 3.65Å; A659-L742 HydrophobicContact CB-CG 4.42Å; C668-L742 HydrophobicContact CB-CD1 3.67Å; W738-L742 HydrophobicContact CE3-CB 4.4Å; W738-L742 HydrophobicContact CE3-CD2 4.48Å; W738-L742 HydrophobicContact CH2-CD1 4.1Å; W738-L742 HydrophobicContact CH2-CD2 3.94Å; W738-L742 HydrophobicContact CH2-CG 4.44Å; W738-L742 HydrophobicContact CZ2-CD1 4.31Å; W738-L742 HydrophobicContact CZ3-CB 4.38Å; W738-L742 HydrophobicContact CZ3-CD2 3.74Å; W738-L742 HydrophobicContact CZ3-CG 4.45Å; W738-L742 WeakPolarHBondContact O-CB 3.2Å; W738-L742 PolarHBondContact O-N 3.02Å; L739-L742 HydrophobicContact CD2-CD2 4.32Å; L739-L742 WeakPolarHBondContact O-CB 3.45Å; L739-L742 PolarHBondContact O-N 3.27Å; L739-L742 VanDerWaalsContact O-N 3.11Å; D740-L742 VanDerWaalsContact C-N 3.29Å; D740-L742 PolarHBondContact O-N 2.72Å; L742-G745 PolarHBondContact O-N 3.06Å; L742-V747 HydrophobicContact CB-CG2 4.07Å; L742-V747 HydrophobicContact CD1-CB 4.23Å; L742-V747 HydrophobicContact CD1-CG1 4.38Å
743	F	89	Confident	87.8	Confident	67 Å²	67	60.8 Å²	60.8	29%	0.294	31%	0.313	S	S	.	.	H	α-helix	trans	-73.8	-33.5	179.5	-63.7	-49	0	0	0	112.5	L589 W612 L618 L739 D740 G745	L589-F743 HydrophobicContact CD1-CZ 4.36Å; W612-F743 HydrophobicContact CD2-CE2 4.06Å; W612-F743 HydrophobicContact CD2-CZ 4.49Å; W612-F743 AromaticContact CE2-CE2 3.62Å; W612-F743 HydrophobicContact CE3-CE2 4.44Å; W612-F743 HydrophobicContact CH2-CE2 4.05Å; W612-F743 AromaticContact CZ2-CD2 3.95Å; W612-F743 HydrophobicContact CZ2-CD2 3.95Å; W612-F743 AromaticContact CZ2-CE2 3.62Å; W612-F743 HydrophobicContact CZ2-CE2 3.62Å; W612-F743 HydrophobicContact CZ3-CE2 4.43Å; W612-F743 AromaticContact NE1-CE2 4Å; L618-F743 HydrophobicContact CD1-CE1 3.77Å; L618-F743 HydrophobicContact CD1-CZ 3.7Å; L618-F743 HydrophobicContact CD2-CE1 3.99Å; L739-F743 HydrophobicContact CB-CE2 4.14Å; L739-F743 HydrophobicContact CD2-CE2 4.4Å; L739-F743 WeakPolarHBondContact O-CD2 3.21Å; L739-F743 WeakPolarHBondContact O-CG 3.32Å; L739-F743 PolarHBondContact O-N 2.94Å; D740-F743 PolarHBondContact O-N 3.06Å; F743-G745 PolarHBondContact O-N 2.87Å
744	D	86.4	Confident	87.8	Confident	120 Å²	120	61.9 Å²	61.9	64%	0.642	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-14.2	169.1	-70.6	-16.2	0	0	0	113.2	D740 N746	D740-D744 PolarHBondContact O-N 3.09Å; D744-N746 VanDerWaalsContact C-N 3.3Å; D744-N746 HydrophobicContact CB-CB 4.41Å
745	G	84.2	Confident	88.1	Confident	34 Å²	34	62.5 Å²	62.5	35%	0.351	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	12.9	-175.6	0	0	0	0	0	114.2	R741 L742 F743 V747	R741-G745 PolarHBondContact O-N 2.98Å; R741-G745 VanDerWaalsContact O-N 3.15Å; L742-G745 PolarHBondContact O-N 3.06Å; F743-G745 PolarHBondContact O-N 2.87Å; G745-V747 VanDerWaalsContact C-N 3.27Å; G745-V747 PolarHBondContact O-N 3.45Å
746	N	84.5	Confident	87.9	Confident	105 Å²	105	62.8 Å²	62.8	56%	0.561	32%	0.318	S	S	*	.			trans	-87.8	15	-179.7	-69.8	-30.4	0	0	0	113.7	R741 D744	R741-N746 HydrophobicContact CB-CB 4.3Å; R741-N746 PolarHBondContact NH2-O 3.37Å; R741-N746 WeakPolarHBondContact O-CA 3.29Å; R741-N746 PolarHBondContact O-N 2.92Å; D744-N746 VanDerWaalsContact C-N 3.3Å; D744-N746 HydrophobicContact CB-CB 4.41Å
747	V	85	Confident	87.5	Confident	17 Å²	17	64.9 Å²	64.9	10%	0.103	33%	0.331	C	S	.	.	S	Bend	trans	-109.4	138.7	175.5	178	0	0	0	0	109.6	C668 W738 R741 L742 G745	C668-V747 HydrophobicContact CB-CG1 3.75Å; W738-V747 HydrophobicContact CZ2-CG1 3.92Å; R741-V747 HydrophobicContact CB-CG2 3.68Å; L742-V747 HydrophobicContact CB-CG2 4.07Å; L742-V747 HydrophobicContact CD1-CB 4.23Å; L742-V747 HydrophobicContact CD1-CG1 4.38Å; G745-V747 VanDerWaalsContact C-N 3.27Å; G745-V747 PolarHBondContact O-N 3.45Å
748	K	81.9	Confident	87.1	Confident	102 Å²	102	61 Å²	61	44%	0.443	31%	0.311	S	S	.	.			trans	-62.4	136.6	179.5	-173.6	176.3	-178.6	-177.7	0	111.2	C668 Q690 F750	C668-K748 PolarHBondContact SG-O 3.14Å; C668-K748 VanDerWaalsContact SG-O 3.38Å; Q690-K748 VanDerWaalsContact NE2-NZ 3.14Å; K748-F750 HydrophobicContact CB-CE2 4.41Å; K748-F750 HydrophobicContact CD-CE1 4.14Å; K748-F750 HydrophobicContact CD-CE2 4.26Å; K748-F750 HydrophobicContact CD-CZ 3.85Å; K748-F750 HydrophobicContact CG-CE2 4.26Å; K748-F750 HydrophobicContact CG-CZ 4.34Å
749	R	89.5	Confident	86	Confident	94 Å²	94	69.6 Å²	69.6	36%	0.355	35%	0.349	S	S	.	.			trans	-102.6	126.5	174.7	-61.4	177.5	-175.4	160.7	6	109.4	Y666	Y666-R749 HydrophobicContact CD2-CB 3.73Å; Y666-R749 HydrophobicContact CD2-CG 3.64Å; Y666-R749 HydrophobicContact CE2-CB 4.31Å; Y666-R749 HydrophobicContact CE2-CG 3.7Å; Y666-R749 HydrophobicContact CG-CB 4.04Å; Y666-R749 HydrophobicContact CG-CG 4.28Å
750	F	89.5	Confident	85.7	Confident	18 Å²	18	73 Å²	73	8%	0.079	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	105.8	174.6	-64.6	-90.8	0	0	0	107.8	T639 Y666 Y667 I669 Y693 F694 K748	T639-F750 HydrophobicContact CG2-CB 3.98Å; Y666-F750 CarbonylContact C-O 3.58Å; Y666-F750 WeakPolarHBondContact CA-O 3.4Å; Y666-F750 VanDerWaalsContact CB-O 3.3Å; Y666-F750 WeakPolarHBondContact CB-O 3.34Å; Y667-F750 HydrophobicContact CD1-CB 3.95Å; Y667-F750 HydrophobicContact CD2-CB 4.4Å; Y667-F750 HydrophobicContact CD2-CD2 4.45Å; Y667-F750 HydrophobicContact CE1-CB 3.62Å; Y667-F750 HydrophobicContact CE2-CB 4.08Å; Y667-F750 HydrophobicContact CE2-CD2 4.1Å; Y667-F750 HydrophobicContact CE2-CG 4.22Å; Y667-F750 HydrophobicContact CG-CB 4.33Å; Y667-F750 PolarHBondContact N-O 2.84Å; Y667-F750 PolarHBondContact O-N 3.37Å; I669-F750 HydrophobicContact CG2-CD2 4.01Å; I669-F750 HydrophobicContact CG2-CE2 3.53Å; I669-F750 HydrophobicContact CG2-CZ 4.27Å; Y693-F750 HydrophobicContact CD1-CZ 4.39Å; Y693-F750 HydrophobicContact CE1-CZ 4.44Å; F694-F750 AromaticContact CE2-CE1 3.99Å; F694-F750 HydrophobicContact CE2-CE1 3.99Å; F694-F750 HydrophobicContact CZ-CD1 4.49Å; F694-F750 AromaticContact CZ-CE1 3.81Å; F694-F750 HydrophobicContact CZ-CE1 3.81Å; F694-F750 HydrophobicContact CZ-CZ 4.29Å; K748-F750 HydrophobicContact CB-CE2 4.41Å; K748-F750 HydrophobicContact CD-CE1 4.14Å; K748-F750 HydrophobicContact CD-CE2 4.26Å; K748-F750 HydrophobicContact CD-CZ 3.85Å; K748-F750 HydrophobicContact CG-CE2 4.26Å; K748-F750 HydrophobicContact CG-CZ 4.34Å
751	H	91.1	Very high	85.5	Confident	122 Å²	122	72.4 Å²	72.4	57%	0.565	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	139.2	-179.5	-76	-87.2	0	0	0	110.3	Q665 Y666	Q665-H751 WeakPolarHBondContact O-CA 3.33Å; Y666-H751 AromaticContact CD1-CE1 3.9Å
752	I	89	Confident	85.4	Confident	12 Å²	12	70.4 Å²	70.4	6%	0.062	36%	0.359	C	S	.	.			trans	-127.3	150.9	179.5	58.3	-179.9	0	0	0	109.1	L635 L638 T639 Q665 Y667 W755	L635-I752 HydrophobicContact CD1-CD1 3.93Å; L635-I752 HydrophobicContact CD1-CG2 4.45Å; L638-I752 HydrophobicContact CB-CG2 3.93Å; L638-I752 HydrophobicContact CD1-CB 4.36Å; L638-I752 HydrophobicContact CD1-CG2 4.27Å; T639-I752 HydrophobicContact CG2-CG2 3.51Å; Q665-I752 HydrophobicContact CB-CG1 4.31Å; Q665-I752 WeakPolarHBondContact CB-O 3.49Å; Q665-I752 PolarHBondContact O-N 2.93Å; Y667-I752 HydrophobicContact CD1-CG2 4.25Å; Y667-I752 HydrophobicContact CE1-CG2 4.04Å; I752-W755 HydrophobicContact CD1-CD2 3.56Å; I752-W755 HydrophobicContact CD1-CE3 3.48Å; I752-W755 VanDerWaalsContact CD1-CE3 3.48Å; I752-W755 HydrophobicContact CD1-CG 4.15Å; I752-W755 HydrophobicContact CD1-CH2 3.92Å; I752-W755 HydrophobicContact CD1-CZ2 4.01Å; I752-W755 HydrophobicContact CD1-CZ3 3.66Å
753	S	86.6	Confident	85.1	Confident	87 Å²	87	74.2 Å²	74.2	61%	0.608	38%	0.378	S	S	*	.	S	Bend	trans	-73.7	-40.2	175.1	47.4	0	0	0	0	111.9	Q665	Q665-S753 PolarHBondContact NE2-O 3.3Å; Q665-S753 PolarHBondContact OE1-O 3.31Å
754	E	86.9	Confident	84.8	Confident	133 Å²	133	74.6 Å²	74.6	62%	0.621	38%	0.384	S	S	*	.	S	Bend	trans	-148.7	157.5	179.8	63.3	179.6	177	0	0	112	L638	L638-E754 WeakPolarHBondContact CD1-O 3.38Å
755	W	89.2	Confident	84.7	Confident	29 Å²	29	71.6 Å²	71.6	11%	0.11	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-87	124.5	178.8	-77.2	106.6	0	0	0	110.2	Y575 V579 L635 L660 N661 G662 I752	Y575-W755 WeakPolarHBondContact OH-CB 3.37Å; V579-W755 HydrophobicContact CG1-CD2 3.46Å; V579-W755 VanDerWaalsContact CG1-CD2 3.46Å; V579-W755 HydrophobicContact CG1-CE3 3.74Å; V579-W755 HydrophobicContact CG1-CG 3.9Å; V579-W755 HydrophobicContact CG1-CH2 4.34Å; V579-W755 HydrophobicContact CG1-CZ2 4.08Å; V579-W755 HydrophobicContact CG1-CZ3 4.18Å; L635-W755 HydrophobicContact CD1-CE3 4.15Å; L635-W755 HydrophobicContact CD1-CZ3 3.82Å; L660-W755 HydrophobicContact CB-CH2 3.87Å; L660-W755 HydrophobicContact CB-CZ2 4.47Å; L660-W755 HydrophobicContact CB-CZ3 4.45Å; L660-W755 HydrophobicContact CD2-CH2 3.82Å; L660-W755 HydrophobicContact CD2-CZ3 3.81Å; L660-W755 HydrophobicContact CG-CH2 4.36Å; N661-W755 WeakPolarHBondContact O-CZ2 3.47Å; G662-W755 PolarHBondContact O-NE1 2.94Å; I752-W755 HydrophobicContact CD1-CD2 3.56Å; I752-W755 HydrophobicContact CD1-CE3 3.48Å; I752-W755 VanDerWaalsContact CD1-CE3 3.48Å; I752-W755 HydrophobicContact CD1-CG 4.15Å; I752-W755 HydrophobicContact CD1-CH2 3.92Å; I752-W755 HydrophobicContact CD1-CZ2 4.01Å; I752-W755 HydrophobicContact CD1-CZ3 3.66Å
756	P	87.8	Confident	84.8	Confident	7 Å²	7	74.3 Å²	74.3	5%	0.045	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-62.9	146.4	179.3	20.7	-27.3	0	0	0	111	Y575 W631 Q634 L635 V758	Y575-P756 VanDerWaalsContact CZ-O 3.3Å; Y575-P756 PolarHBondContact OH-O 2.9Å; W631-P756 VanDerWaalsContact CD1-O 3.28Å; W631-P756 PolarHBondContact NE1-O 3.06Å; Q634-P756 HydrophobicContact CB-CB 3.82Å; Q634-P756 HydrophobicContact CB-CG 4.25Å; L635-P756 HydrophobicContact CB-CG 4.09Å; L635-P756 HydrophobicContact CD1-CG 4.37Å; P756-V758 PolarHBondContact O-N 3.12Å
757	P	81	Confident	84.8	Confident	94 Å²	94	71.9 Å²	71.9	61%	0.61	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-70.8	129.4	179.8	28.1	-33	0	0	0	111.3
758	V	78.3	Confident	84.8	Confident	14 Å²	14	76.5 Å²	76.5	9%	0.085	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-76.4	130	167.5	171.9	0	0	0	0	108.2	L570 Y575 N628 W631 P756	L570-V758 HydrophobicContact CD2-CG2 4.48Å; Y575-V758 HydrophobicContact CD1-CB 4.33Å; Y575-V758 HydrophobicContact CD1-CG2 4.33Å; Y575-V758 HydrophobicContact CD2-CB 3.94Å; Y575-V758 HydrophobicContact CD2-CG2 3.25Å; Y575-V758 HydrophobicContact CE1-CG2 4.37Å; Y575-V758 HydrophobicContact CE2-CB 4.34Å; Y575-V758 HydrophobicContact CE2-CG2 3.36Å; Y575-V758 HydrophobicContact CG-CB 3.93Å; Y575-V758 HydrophobicContact CG-CG2 3.78Å; N628-V758 WeakPolarHBondContact OD1-CG1 3.11Å; W631-V758 VanDerWaalsContact CD1-CG2 3.42Å; W631-V758 HydrophobicContact CD2-CG2 3.99Å; W631-V758 HydrophobicContact CG-CG2 3.8Å; W631-V758 VanDerWaalsContact NE1-CG2 3.34Å; P756-V758 PolarHBondContact O-N 3.12Å
759	K	66.3	Low	85	Confident	206 Å²	206	74.2 Å²	74.2	90%	0.896	37%	0.367	S	S	*	.			trans	-80.4	0	177.4	-76.4	-174.8	179.4	173.6	0	112.3

Retrieved 759 of 759 residues in 655.8 ms (Link to these results)

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