G4V9P7_SCHMA Loading...

Putative fms interacting protein

AlphaFold DB , UniProt , Accession G4V9P7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 742 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	36.2	Very low	40	Very low	253 Å²	253	151.6 Å²	151.6	100%	1.246	84%	0.835	S	S	*	*				0	87.1	0	-68.1	-177.2	165.8	0	0	106.7
2	S	35.7	Very low	40.3	Very low	127 Å²	127	150.6 Å²	150.6	89%	0.888	83%	0.826	S	S	*	*				-138.6	151.8	76.2	-160.2	0	0	0	0	113.2
3	N	36.2	Very low	40.4	Very low	150 Å²	150	149 Å²	149	80%	0.802	82%	0.816	S	S	*	*			trans	-62.1	150.9	-172.2	-89.4	-30.7	0	0	0	116.3
4	K	44	Very low	40.5	Very low	205 Å²	205	146.4 Å²	146.4	89%	0.891	80%	0.8	S	S	*	*				158.6	108.8	124.2	-87.4	170.7	-179.8	-179	0	107
5	G	34.4	Very low	40.6	Very low	77 Å²	77	145.1 Å²	145.1	79%	0.794	79%	0.786	S	S	*	*				96.8	68.8	64.6	0	0	0	0	0	109.6
6	K	39.9	Very low	40.5	Very low	202 Å²	202	144.8 Å²	144.8	88%	0.878	78%	0.784	S	S	*	*			trans	-147.3	90.8	165.3	-77.9	-169.8	179.1	178.3	0	108.6
7	S	37.4	Very low	40.5	Very low	107 Å²	107	138.7 Å²	138.7	75%	0.748	76%	0.755	S	S	*	*			trans	-128.4	100.3	172.7	54.6	0	0	0	0	107.3
8	Q	43.6	Very low	40.7	Very low	173 Å²	173	138.2 Å²	138.2	81%	0.808	74%	0.744	S	S	*	*	S	Bend	trans	167.3	-26.4	147.6	-93.1	167.1	-14.6	0	0	112.9
9	D	44.3	Very low	40.8	Very low	141 Å²	141	136.5 Å²	136.5	75%	0.754	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-15.5	-175.4	-71.7	-30.4	0	0	0	115.8
10	E	43.2	Very low	41.1	Very low	155 Å²	155	136.8 Å²	136.8	72%	0.724	74%	0.744	S	S	*	*	H	α-helix	trans	-84.3	-15.5	178.7	-73.7	-178.1	168.6	0	0	113.5	L12	E10-L12 VanDerWaalsContact C-N 3.32Å; E10-L12 PolarHBondContact O-N 3.14Å
11	A	44.8	Very low	41.6	Very low	78 Å²	78	133.8 Å²	133.8	65%	0.645	73%	0.727	S	S	*	*	H	α-helix	trans	-71.7	-25.5	179.1	0	0	0	0	0	113
12	L	44.6	Very low	42.9	Very low	139 Å²	139	125.7 Å²	125.7	73%	0.728	70%	0.695	S	S	*	*	H	α-helix	trans	-91.3	-22.5	179.5	-78.6	158	0	0	0	113.4	E10 N14	E10-L12 VanDerWaalsContact C-N 3.32Å; E10-L12 PolarHBondContact O-N 3.14Å; L12-N14 VanDerWaalsContact C-N 3.34Å
13	N	41.2	Very low	44.5	Very low	130 Å²	130	124.6 Å²	124.6	70%	0.695	68%	0.675	S	S	*	*	H	α-helix	trans	-80.2	-12.3	176.2	-96	-12.6	0	0	0	114
14	N	41.2	Very low	45.9	Very low	113 Å²	113	123.9 Å²	123.9	60%	0.604	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-7.9	-175.7	-122.8	-5.7	0	0	0	114.4	L12 S17	L12-N14 VanDerWaalsContact C-N 3.34Å; N14-S17 PolarHBondContact O-OG 3.16Å
15	E	41.9	Very low	47.3	Very low	126 Å²	126	120.2 Å²	120.2	59%	0.589	65%	0.647	S	S	*	*	S	Bend	trans	-85.7	-31.2	177.1	-64.5	-127.1	108.7	0	0	112.5	K18	E15-K18 IonicContact OE1-NZ 2.83Å; E15-K18 PolarHBondContact OE1-NZ 3.17Å
16	N	40.1	Very low	48.9	Very low	140 Å²	140	117.2 Å²	117.2	75%	0.749	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-11.5	178.5	-82.3	-19.9	0	0	0	114.3
17	S	40.5	Very low	50.5	Low	42 Å²	42	109.4 Å²	109.4	29%	0.294	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85	-13.7	175.1	60.9	0	0	0	0	113.5	N14 S19 I20	N14-S17 PolarHBondContact O-OG 3.16Å; S17-S19 PolarHBondContact O-N 3.21Å; S17-S19 VanDerWaalsContact O-N 3.11Å; S17-I20 PolarHBondContact O-N 2.89Å; S17-I20 VanDerWaalsContact O-N 3.14Å
18	K	43	Very low	52.3	Low	129 Å²	129	110.2 Å²	110.2	56%	0.561	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-21.6	-177.8	-71	175	179	169	0	113.9	E15	E15-K18 IonicContact OE1-NZ 2.83Å; E15-K18 PolarHBondContact OE1-NZ 3.17Å
19	S	44.2	Very low	53.6	Low	107 Å²	107	104.9 Å²	104.9	75%	0.748	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-29	178.3	179.5	0	0	0	0	113.7	S17	S17-S19 PolarHBondContact O-N 3.21Å; S17-S19 VanDerWaalsContact O-N 3.11Å
20	I	46.8	Very low	55.1	Low	141 Å²	141	98.5 Å²	98.5	72%	0.723	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-18.8	-172.8	-72.1	166.1	0	0	0	112.3	S17	S17-I20 PolarHBondContact O-N 2.89Å; S17-I20 VanDerWaalsContact O-N 3.14Å
21	N	51.4	Low	56.7	Low	75 Å²	75	98.8 Å²	98.8	40%	0.401	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	42.3	-172.6	-82.3	-16.8	0	0	0	113.6	F23 Y24 H25	N21-F23 PolarHBondContact O-N 3.27Å; N21-Y24 HydrophobicContact CB-CD2 4.13Å; N21-Y24 PolarHBondContact O-N 3.1Å; N21-H25 WeakPolarHBondContact O-CB 3.39Å; N21-H25 PolarHBondContact O-N 3.4Å
22	S	63.2	Low	58.1	Low	82 Å²	82	98.1 Å²	98.1	57%	0.573	51%	0.507	S	S	*	.	H	α-helix	trans	-54.3	-37.1	178.4	172.1	0	0	0	0	113	E26	S22-E26 WeakPolarHBondContact O-CB 3.49Å; S22-E26 PolarHBondContact O-N 3.46Å; S22-E26 VanDerWaalsContact O-N 3.07Å
23	F	68.1	Low	59.5	Low	104 Å²	104	98.7 Å²	98.7	46%	0.456	51%	0.511	S	S	.	.	H	α-helix	trans	-66.7	-48.4	178.3	-177.3	-90.6	0	0	0	112.5	N21 E26 E27 F87	N21-F23 PolarHBondContact O-N 3.27Å; F23-E26 PolarHBondContact O-N 3.06Å; F23-E27 PolarHBondContact O-N 3.47Å; F23-F87 HydrophobicContact CD1-CZ 4.21Å; F23-F87 AromaticContact CD2-CZ 3.83Å; F23-F87 HydrophobicContact CD2-CZ 3.83Å; F23-F87 AromaticContact CE1-CE1 3.76Å; F23-F87 HydrophobicContact CE1-CE1 3.76Å; F23-F87 AromaticContact CE1-CZ 3.83Å; F23-F87 HydrophobicContact CE1-CZ 3.83Å; F23-F87 AromaticContact CE2-CE1 3.83Å; F23-F87 HydrophobicContact CE2-CE1 3.83Å; F23-F87 AromaticContact CE2-CZ 3.43Å; F23-F87 HydrophobicContact CE2-CZ 3.43Å; F23-F87 VanDerWaalsContact CE2-CZ 3.43Å; F23-F87 HydrophobicContact CG-CZ 4.21Å; F23-F87 AromaticContact CZ-CE1 3.36Å; F23-F87 HydrophobicContact CZ-CE1 3.36Å; F23-F87 AromaticContact CZ-CZ 3.44Å; F23-F87 HydrophobicContact CZ-CZ 3.44Å; F23-F87 VanDerWaalsContact CZ-CZ 3.44Å
24	Y	67.3	Low	61.3	Low	136 Å²	136	93.5 Å²	93.5	53%	0.533	49%	0.488	S	S	.	.	H	α-helix	trans	-69.5	-35.4	179.2	-67	-74.7	0	0	0	112.4	N21 E26 E27 N28	N21-Y24 HydrophobicContact CB-CD2 4.13Å; N21-Y24 PolarHBondContact O-N 3.1Å; Y24-E26 VanDerWaalsContact C-N 3.28Å; Y24-E26 PolarHBondContact O-N 3.46Å; Y24-E27 PolarHBondContact O-N 3Å; Y24-N28 WeakPolarHBondContact O-CB 3.18Å; Y24-N28 PolarHBondContact O-N 2.86Å; Y24-N28 PolarHBondContact O-ND2 3.41Å
25	H	72.2	Confident	63.2	Low	127 Å²	127	91 Å²	91	59%	0.588	48%	0.48	S	S	*	.	H	α-helix	trans	-62	-41.6	173.4	-174.5	-79.8	0	0	0	110.7	N21 N28 S29	N21-H25 WeakPolarHBondContact O-CB 3.39Å; N21-H25 PolarHBondContact O-N 3.4Å; H25-N28 PolarHBondContact O-N 3.46Å; H25-S29 WeakPolarHBondContact O-CB 3.35Å; H25-S29 PolarHBondContact O-N 3.18Å; H25-S29 PolarHBondContact O-OG 3.1Å
26	E	67.4	Low	65.3	Low	15 Å²	15	88.1 Å²	88.1	7%	0.07	48%	0.477	C	S	.	.	H	α-helix	trans	-67.7	-45.1	178	-164.5	174.5	163.8	0	0	112.2	S22 F23 Y24 N28 S29 V30 E80 R83 F87	S22-E26 WeakPolarHBondContact O-CB 3.49Å; S22-E26 PolarHBondContact O-N 3.46Å; S22-E26 VanDerWaalsContact O-N 3.07Å; F23-E26 PolarHBondContact O-N 3.06Å; Y24-E26 VanDerWaalsContact C-N 3.28Å; Y24-E26 PolarHBondContact O-N 3.46Å; E26-N28 VanDerWaalsContact C-N 3.29Å; E26-N28 PolarHBondContact O-N 3.44Å; E26-S29 WeakPolarHBondContact CA-OG 3.45Å; E26-S29 PolarHBondContact O-N 3.03Å; E26-S29 VanDerWaalsContact O-N 3.11Å; E26-S29 PolarHBondContact O-OG 3.03Å; E26-V30 VanDerWaalsContact O-CG2 3.29Å; E26-V30 WeakPolarHBondContact O-CG2 3.43Å; E26-V30 PolarHBondContact O-N 2.96Å; E26-E80 WeakPolarHBondContact OE1-CG 3.41Å; E26-R83 VanDerWaalsContact CD-CZ 3.42Å; E26-R83 IonicContact OE1-CZ 2.68Å; E26-R83 IonicContact OE1-NE 3.86Å; E26-R83 PolarHBondContact OE1-NE 3.48Å; E26-R83 IonicContact OE1-NH2 3.17Å; E26-R83 PolarHBondContact OE1-NH2 2.96Å; E26-R83 IonicContact OE2-CZ 3.67Å; E26-R83 IonicContact OE2-NE 2.77Å; E26-R83 PolarHBondContact OE2-NE 3.11Å; E26-R83 IonicContact OE2-NH1 2.68Å; E26-R83 IonicContact OE2-NH2 2.88Å; E26-R83 PolarHBondContact OE2-NH2 3.48Å; E26-F87 HydrophobicContact CB-CE2 4.12Å; E26-F87 HydrophobicContact CG-CD2 4.49Å; E26-F87 HydrophobicContact CG-CE2 4.11Å
27	E	75.4	Confident	67.5	Low	37 Å²	37	86.6 Å²	86.6	17%	0.173	47%	0.465	C	S	.	.	H	α-helix	trans	-55	-44.2	173.4	-173.8	167.2	-144.7	0	0	112	F23 Y24 S29 V30 F87 R90	F23-E27 PolarHBondContact O-N 3.47Å; Y24-E27 PolarHBondContact O-N 3Å; E27-S29 PolarHBondContact O-N 3.43Å; E27-V30 PolarHBondContact O-N 2.84Å; E27-F87 HydrophobicContact CB-CD1 3.93Å; E27-F87 HydrophobicContact CB-CD2 4.14Å; E27-F87 HydrophobicContact CB-CE1 3.89Å; E27-F87 HydrophobicContact CB-CE2 4.07Å; E27-F87 HydrophobicContact CB-CG 4.07Å; E27-F87 HydrophobicContact CB-CZ 3.95Å; E27-F87 HydrophobicContact CG-CB 4.45Å; E27-F87 HydrophobicContact CG-CD1 3.74Å; E27-F87 HydrophobicContact CG-CE1 4.04Å; E27-F87 HydrophobicContact CG-CG 4.08Å; E27-R90 IonicContact OE1-NH1 2.8Å
28	N	73.2	Confident	69.7	Low	125 Å²	125	85.3 Å²	85.3	67%	0.668	46%	0.455	S	S	*	.	H	α-helix	trans	-68.2	-33.6	177.9	-72.6	-22.8	0	0	0	113.1	Y24 H25 E26 V30	Y24-N28 WeakPolarHBondContact O-CB 3.18Å; Y24-N28 PolarHBondContact O-N 2.86Å; Y24-N28 PolarHBondContact O-ND2 3.41Å; H25-N28 PolarHBondContact O-N 3.46Å; E26-N28 VanDerWaalsContact C-N 3.29Å; E26-N28 PolarHBondContact O-N 3.44Å; N28-V30 VanDerWaalsContact C-N 3.32Å; N28-V30 PolarHBondContact O-N 2.91Å
29	S	72.4	Confident	71.8	Confident	61 Å²	61	83.3 Å²	83.3	43%	0.427	45%	0.45	S	S	.	.	H	α-helix	trans	-73.7	-20.5	-179.1	73.8	0	0	0	0	113.9	H25 E26 E27 K31	H25-S29 WeakPolarHBondContact O-CB 3.35Å; H25-S29 PolarHBondContact O-N 3.18Å; H25-S29 PolarHBondContact O-OG 3.1Å; E26-S29 WeakPolarHBondContact CA-OG 3.45Å; E26-S29 PolarHBondContact O-N 3.03Å; E26-S29 VanDerWaalsContact O-N 3.11Å; E26-S29 PolarHBondContact O-OG 3.03Å; E27-S29 PolarHBondContact O-N 3.43Å; S29-K31 PolarHBondContact O-N 2.85Å; S29-K31 VanDerWaalsContact O-N 3.13Å
30	V	76.1	Confident	74	Confident	6 Å²	6	82.6 Å²	82.6	4%	0.036	44%	0.438	C	S	.	.			trans	-69.3	113.3	-179.8	-176	0	0	0	0	110.7	E26 E27 N28 R84 F87 R88 K91	E26-V30 VanDerWaalsContact O-CG2 3.29Å; E26-V30 WeakPolarHBondContact O-CG2 3.43Å; E26-V30 PolarHBondContact O-N 2.96Å; E27-V30 PolarHBondContact O-N 2.84Å; N28-V30 VanDerWaalsContact C-N 3.32Å; N28-V30 PolarHBondContact O-N 2.91Å; V30-R84 WeakPolarHBondContact CG1-O 3.38Å; V30-R84 HydrophobicContact CG2-CB 4.01Å; V30-R84 HydrophobicContact CG2-CG 3.99Å; V30-F87 HydrophobicContact CB-CB 4.28Å; V30-F87 HydrophobicContact CG2-CB 3.83Å; V30-F87 HydrophobicContact CG2-CD2 4.01Å; V30-F87 HydrophobicContact CG2-CG 4.43Å; V30-R88 HydrophobicContact CG1-CB 3.84Å; V30-R88 HydrophobicContact CG1-CG 4.45Å; V30-K91 PolarHBondContact O-NZ 3.24Å
31	K	76.8	Confident	75.9	Confident	161 Å²	161	79 Å²	79	70%	0.7	42%	0.417	S	S	*	.			trans	-84.8	140.1	169.7	-62.4	-175.9	-179	-179.3	0	110.2	S29 D33 G34 R88	S29-K31 PolarHBondContact O-N 2.85Å; S29-K31 VanDerWaalsContact O-N 3.13Å; K31-D33 VanDerWaalsContact C-N 3.28Å; K31-D33 PolarHBondContact O-N 2.84Å; K31-G34 PolarHBondContact O-N 2.83Å; K31-R88 PolarHBondContact O-NE 3.36Å
32	L	72.7	Confident	77.8	Confident	65 Å²	65	79.6 Å²	79.6	34%	0.34	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-61.7	-39.3	176.3	-70.3	163.8	0	0	0	111.2	G34 R88 K91 I95	L32-G34 PolarHBondContact O-N 2.86Å; L32-R88 HydrophobicContact CD2-CG 3.98Å; L32-R88 WeakPolarHBondContact O-CD 3.35Å; L32-K91 HydrophobicContact CD2-CB 4.39Å; L32-K91 HydrophobicContact CD2-CG 4.37Å; L32-I95 HydrophobicContact CD1-CD1 3.57Å
33	D	74.7	Confident	79.1	Confident	151 Å²	151	82.8 Å²	82.8	81%	0.807	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-75.5	-7.4	-177.8	-50.6	-33.5	0	0	0	113.7	K31 S35	K31-D33 VanDerWaalsContact C-N 3.28Å; K31-D33 PolarHBondContact O-N 2.84Å; D33-S35 PolarHBondContact O-N 3.29Å
34	G	78	Confident	80.2	Confident	20 Å²	20	82 Å²	82	21%	0.206	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-78.9	5.5	-177.2	0	0	0	0	0	115.2	K31 L32 A36 H37 D38	K31-G34 PolarHBondContact O-N 2.83Å; L32-G34 PolarHBondContact O-N 2.86Å; G34-A36 PolarHBondContact O-N 3.05Å; G34-H37 PolarHBondContact O-N 2.84Å; G34-D38 PolarHBondContact O-N 2.87Å
35	S	82.7	Confident	81.2	Confident	62 Å²	62	76.5 Å²	76.5	43%	0.434	40%	0.398	S	S	.	.	H	α-helix	trans	-60.8	-42.4	-173.4	62.7	0	0	0	0	113.1	D33 L39	D33-S35 PolarHBondContact O-N 3.29Å; S35-L39 VanDerWaalsContact O-CB 3.32Å; S35-L39 WeakPolarHBondContact O-CB 3.42Å; S35-L39 PolarHBondContact O-N 3.04Å
36	A	85.9	Confident	82.1	Confident	64 Å²	64	71.8 Å²	71.8	53%	0.529	38%	0.379	S	S	.	.	H	α-helix	trans	-67	-39.9	179.5	0	0	0	0	0	112	G34 L39 L40	G34-A36 PolarHBondContact O-N 3.05Å; A36-L39 PolarHBondContact O-N 3.29Å; A36-L40 WeakPolarHBondContact O-CG 3.31Å; A36-L40 PolarHBondContact O-N 3.37Å
37	H	85.1	Confident	83.2	Confident	109 Å²	109	76.5 Å²	76.5	51%	0.505	40%	0.401	S	S	.	.	H	α-helix	trans	-69.4	-45.4	179.8	-175.2	60.1	0	0	0	112	G34 L39 L40 Q41	G34-H37 PolarHBondContact O-N 2.84Å; H37-L39 PolarHBondContact O-N 3.33Å; H37-L40 PolarHBondContact O-N 3.01Å; H37-Q41 PolarHBondContact NE2-NE2 3.14Å; H37-Q41 WeakPolarHBondContact O-CG 3.3Å; H37-Q41 PolarHBondContact O-N 3.44Å
38	D	86.5	Confident	83.8	Confident	14 Å²	14	77.3 Å²	77.3	8%	0.075	41%	0.411	C	S	.	.	H	α-helix	trans	-62.5	-34.9	175.7	-78.6	-3.3	0	0	0	111.5	G34 F42 L81 R84 R88	G34-D38 PolarHBondContact O-N 2.87Å; D38-F42 VanDerWaalsContact O-CB 3.22Å; D38-F42 WeakPolarHBondContact O-CB 3.44Å; D38-F42 PolarHBondContact O-N 3.43Å; D38-L81 HydrophobicContact CB-CD2 3.86Å; D38-R84 IonicContact OD1-NH1 2.93Å; D38-R88 IonicContact OD2-CZ 3.24Å; D38-R88 IonicContact OD2-NH1 3.9Å; D38-R88 IonicContact OD2-NH2 2.63Å; D38-R88 PolarHBondContact OD2-NH2 3Å
39	L	88.5	Confident	84.5	Confident	87 Å²	87	72.6 Å²	72.6	46%	0.455	39%	0.386	S	S	.	.	H	α-helix	trans	-64.5	-43.4	174.8	-169.6	164.2	0	0	0	111.3	S35 A36 H37 F42 R43	S35-L39 VanDerWaalsContact O-CB 3.32Å; S35-L39 WeakPolarHBondContact O-CB 3.42Å; S35-L39 PolarHBondContact O-N 3.04Å; A36-L39 PolarHBondContact O-N 3.29Å; H37-L39 PolarHBondContact O-N 3.33Å; L39-F42 WeakPolarHBondContact O-CB 3.34Å; L39-F42 PolarHBondContact O-N 3.23Å; L39-R43 HydrophobicContact CD2-CG 4.16Å; L39-R43 WeakPolarHBondContact O-CG 3.43Å; L39-R43 PolarHBondContact O-N 3.24Å
40	L	89.8	Confident	85.3	Confident	93 Å²	93	78.6 Å²	78.6	49%	0.487	40%	0.399	S	S	.	.	H	α-helix	trans	-63.1	-49.6	174.7	-70.8	172	0	0	0	111.3	A36 H37 F42 R43 D44	A36-L40 WeakPolarHBondContact O-CG 3.31Å; A36-L40 PolarHBondContact O-N 3.37Å; H37-L40 PolarHBondContact O-N 3.01Å; L40-F42 PolarHBondContact O-N 2.87Å; L40-R43 WeakPolarHBondContact O-CA 3.44Å; L40-R43 WeakPolarHBondContact O-CB 3.4Å; L40-R43 PolarHBondContact O-N 3.38Å; L40-D44 VanDerWaalsContact O-CG 3.24Å; L40-D44 PolarHBondContact O-N 2.98Å
41	Q	86.8	Confident	85.8	Confident	64 Å²	64	84.4 Å²	84.4	30%	0.299	43%	0.425	S	S	.	.	H	α-helix	trans	-57.7	-37.9	175.9	-70.9	-170.9	-8	0	0	112.4	H37 D44 C45 L81	H37-Q41 PolarHBondContact NE2-NE2 3.14Å; H37-Q41 WeakPolarHBondContact O-CG 3.3Å; H37-Q41 PolarHBondContact O-N 3.44Å; Q41-D44 PolarHBondContact O-N 3.5Å; Q41-C45 VanDerWaalsContact O-CB 3.31Å; Q41-C45 WeakPolarHBondContact O-CB 3.3Å; Q41-C45 PolarHBondContact O-N 3.13Å; Q41-C45 PolarHBondContact O-SG 2.87Å; Q41-L81 HydrophobicContact CB-CD1 4.21Å; Q41-L81 HydrophobicContact CB-CD2 4.08Å
42	F	90.7	Very high	86.2	Confident	89 Å²	89	77.8 Å²	77.8	39%	0.39	40%	0.397	S	S	.	.	H	α-helix	trans	-64.2	-43.1	175.3	-177.6	-93.7	0	0	0	111.7	D38 L39 L40 C46 I78 L81	D38-F42 VanDerWaalsContact O-CB 3.22Å; D38-F42 WeakPolarHBondContact O-CB 3.44Å; D38-F42 PolarHBondContact O-N 3.43Å; L39-F42 WeakPolarHBondContact O-CB 3.34Å; L39-F42 PolarHBondContact O-N 3.23Å; L40-F42 PolarHBondContact O-N 2.87Å; F42-C46 WeakPolarHBondContact O-CB 3.27Å; F42-C46 PolarHBondContact O-N 3.26Å; F42-C46 PolarHBondContact O-SG 2.94Å; F42-C46 VanDerWaalsContact O-SG 3.4Å; F42-I78 HydrophobicContact CE2-CG1 4.47Å; F42-I78 HydrophobicContact CE2-CG2 3.91Å; F42-L81 HydrophobicContact CB-CD1 3.92Å; F42-L81 HydrophobicContact CD2-CB 4.39Å; F42-L81 HydrophobicContact CD2-CD1 4.26Å
43	R	92	Very high	86.8	Confident	148 Å²	148	79 Å²	79	56%	0.558	40%	0.402	S	S	*	.	H	α-helix	trans	-61.2	-48.4	174	-74.8	-177.9	174.3	-173.2	0.5	111.1	L39 L40 C45 C46 E47	L39-R43 HydrophobicContact CD2-CG 4.16Å; L39-R43 WeakPolarHBondContact O-CG 3.43Å; L39-R43 PolarHBondContact O-N 3.24Å; L40-R43 WeakPolarHBondContact O-CA 3.44Å; L40-R43 WeakPolarHBondContact O-CB 3.4Å; L40-R43 PolarHBondContact O-N 3.38Å; R43-C45 PolarHBondContact O-N 3.4Å; R43-C46 CarbonylContact O-C 3.55Å; R43-C46 WeakPolarHBondContact O-CB 3.28Å; R43-C46 PolarHBondContact O-N 3.1Å; R43-C46 VanDerWaalsContact O-N 3.14Å; R43-E47 WeakPolarHBondContact O-CG 3.39Å; R43-E47 PolarHBondContact O-N 3.41Å
44	D	89.9	Confident	87.4	Confident	88 Å²	88	78.3 Å²	78.3	47%	0.471	39%	0.393	S	S	.	.	H	α-helix	trans	-62.3	-41.4	179.8	-60.4	-16.7	0	0	0	111.9	L40 Q41 E47 S48	L40-D44 VanDerWaalsContact O-CG 3.24Å; L40-D44 PolarHBondContact O-N 2.98Å; Q41-D44 PolarHBondContact O-N 3.5Å; D44-E47 PolarHBondContact O-N 3.39Å; D44-S48 VanDerWaalsContact O-CB 3.31Å; D44-S48 WeakPolarHBondContact O-CB 3.2Å; D44-S48 PolarHBondContact O-N 3.5Å; D44-S48 PolarHBondContact O-OG 3.22Å
45	C	89.1	Confident	87.7	Confident	21 Å²	21	81.1 Å²	81.1	14%	0.142	40%	0.403	C	S	.	.	H	α-helix	trans	-64.7	-41.3	174.6	-71.6	0	0	0	0	111.6	Q41 R43 L49 I78	Q41-C45 VanDerWaalsContact O-CB 3.31Å; Q41-C45 WeakPolarHBondContact O-CB 3.3Å; Q41-C45 PolarHBondContact O-N 3.13Å; Q41-C45 PolarHBondContact O-SG 2.87Å; R43-C45 PolarHBondContact O-N 3.4Å; C45-L49 WeakPolarHBondContact O-CB 3.45Å; C45-L49 PolarHBondContact O-N 2.99Å; C45-I78 HydrophobicContact CB-CG1 4.14Å
46	C	89.6	Confident	87.6	Confident	28 Å²	28	79.4 Å²	79.4	19%	0.189	39%	0.39	C	S	.	.	H	α-helix	trans	-66.3	-37.3	175.5	-81.6	0	0	0	0	112.5	F42 R43 R50	F42-C46 WeakPolarHBondContact O-CB 3.27Å; F42-C46 PolarHBondContact O-N 3.26Å; F42-C46 PolarHBondContact O-SG 2.94Å; F42-C46 VanDerWaalsContact O-SG 3.4Å; R43-C46 CarbonylContact O-C 3.55Å; R43-C46 WeakPolarHBondContact O-CB 3.28Å; R43-C46 PolarHBondContact O-N 3.1Å; R43-C46 VanDerWaalsContact O-N 3.14Å; C46-R50 VanDerWaalsContact O-CG 3.28Å; C46-R50 WeakPolarHBondContact O-CG 3.44Å; C46-R50 PolarHBondContact O-N 3.45Å
47	E	90.7	Very high	87.5	Confident	114 Å²	114	85.1 Å²	85.1	53%	0.533	40%	0.398	S	S	.	.	H	α-helix	trans	-67.3	-48	174.3	-74.4	178.2	-173.5	0	0	111	R43 D44 L49 R50 E51	R43-E47 WeakPolarHBondContact O-CG 3.39Å; R43-E47 PolarHBondContact O-N 3.41Å; D44-E47 PolarHBondContact O-N 3.39Å; E47-L49 VanDerWaalsContact C-N 3.26Å; E47-L49 PolarHBondContact O-N 2.96Å; E47-R50 WeakPolarHBondContact O-CB 3.42Å; E47-R50 PolarHBondContact O-N 3.41Å; E47-E51 PolarHBondContact O-N 3.3Å
48	S	88.2	Confident	87.3	Confident	54 Å²	54	84.9 Å²	84.9	38%	0.378	40%	0.397	S	S	.	.	H	α-helix	trans	-58.6	-37.2	174.4	-59.8	0	0	0	0	112.3	D44 E51 F52	D44-S48 VanDerWaalsContact O-CB 3.31Å; D44-S48 WeakPolarHBondContact O-CB 3.2Å; D44-S48 PolarHBondContact O-N 3.5Å; D44-S48 PolarHBondContact O-OG 3.22Å; S48-E51 PolarHBondContact O-N 2.83Å; S48-F52 VanDerWaalsContact O-CB 3.3Å; S48-F52 WeakPolarHBondContact O-CB 3.46Å; S48-F52 PolarHBondContact O-N 3.43Å
49	L	88.3	Confident	86.9	Confident	26 Å²	26	89.1 Å²	89.1	14%	0.136	41%	0.412	C	S	.	.	H	α-helix	trans	-66.7	-41.6	175.1	-172.5	68.9	0	0	0	111.7	C45 E47 F52 I53 F71 L74 M75 I78	C45-L49 WeakPolarHBondContact O-CB 3.45Å; C45-L49 PolarHBondContact O-N 2.99Å; E47-L49 VanDerWaalsContact C-N 3.26Å; E47-L49 PolarHBondContact O-N 2.96Å; L49-F52 PolarHBondContact O-N 2.86Å; L49-I53 HydrophobicContact CD1-CD1 4.49Å; L49-I53 HydrophobicContact CG-CD1 4.06Å; L49-I53 WeakPolarHBondContact O-CB 3.34Å; L49-I53 WeakPolarHBondContact O-CD1 3.49Å; L49-I53 WeakPolarHBondContact O-CG1 3.43Å; L49-I53 PolarHBondContact O-N 2.9Å; L49-F71 HydrophobicContact CD1-CD2 3.62Å; L49-F71 HydrophobicContact CD1-CE2 3.62Å; L49-L74 HydrophobicContact CB-CD1 4.15Å; L49-L74 HydrophobicContact CD1-CB 4.02Å; L49-L74 HydrophobicContact CD1-CD1 4.02Å; L49-M75 HydrophobicContact CD2-SD 4.41Å; L49-I78 HydrophobicContact CD2-CD1 4.03Å
50	R	89.6	Confident	86.4	Confident	187 Å²	187	92.6 Å²	92.6	71%	0.706	42%	0.423	S	S	*	.	H	α-helix	trans	-62.5	-43.5	174.2	-71	173.3	-153.4	-163.3	7	111.2	C46 E47 K54	C46-R50 VanDerWaalsContact O-CG 3.28Å; C46-R50 WeakPolarHBondContact O-CG 3.44Å; C46-R50 PolarHBondContact O-N 3.45Å; E47-R50 WeakPolarHBondContact O-CB 3.42Å; E47-R50 PolarHBondContact O-N 3.41Å; R50-K54 WeakPolarHBondContact O-CB 3.48Å; R50-K54 PolarHBondContact O-N 3.06Å
51	E	86.9	Confident	85.7	Confident	127 Å²	127	96.8 Å²	96.8	59%	0.593	44%	0.437	S	S	*	.	H	α-helix	trans	-66.1	-42.5	177	-70.8	-169.4	165.7	0	0	112.5	E47 S48 K54 N55	E47-E51 PolarHBondContact O-N 3.3Å; S48-E51 PolarHBondContact O-N 2.83Å; E51-K54 WeakPolarHBondContact O-CB 3.39Å; E51-K54 PolarHBondContact O-N 3.02Å; E51-N55 WeakPolarHBondContact O-CB 3.22Å; E51-N55 VanDerWaalsContact O-CG 3.28Å; E51-N55 PolarHBondContact O-N 3.07Å; E51-N55 PolarHBondContact O-ND2 2.95Å
52	F	85.1	Confident	84.8	Confident	22 Å²	22	97.1 Å²	97.1	10%	0.096	45%	0.447	C	S	.	.	H	α-helix	trans	-63.8	-42.3	176.7	-177.4	-94.5	0	0	0	112	S48 L49 K54 N55 T56 N67 Q70 F71 L74	S48-F52 VanDerWaalsContact O-CB 3.3Å; S48-F52 WeakPolarHBondContact O-CB 3.46Å; S48-F52 PolarHBondContact O-N 3.43Å; L49-F52 PolarHBondContact O-N 2.86Å; F52-K54 VanDerWaalsContact C-N 3.29Å; F52-K54 PolarHBondContact O-N 3Å; F52-N55 PolarHBondContact O-N 3.07Å; F52-T56 HydrophobicContact CD1-CG2 3.86Å; F52-T56 HydrophobicContact CD2-CG2 4.3Å; F52-T56 HydrophobicContact CE1-CG2 3.26Å; F52-T56 HydrophobicContact CE2-CG2 3.77Å; F52-T56 HydrophobicContact CG-CG2 4.34Å; F52-T56 HydrophobicContact CZ-CG2 3.22Å; F52-T56 WeakPolarHBondContact O-CB 3.48Å; F52-T56 WeakPolarHBondContact O-CG2 3.47Å; F52-T56 PolarHBondContact O-N 3.31Å; F52-T56 PolarHBondContact O-OG1 2.98Å; F52-N67 VanDerWaalsContact CZ-O 3.27Å; F52-N67 WeakPolarHBondContact CZ-O 3.31Å; F52-Q70 HydrophobicContact CD2-CB 3.74Å; F52-Q70 VanDerWaalsContact CD2-OE1 3.22Å; F52-Q70 HydrophobicContact CE2-CB 3.42Å; F52-Q70 VanDerWaalsContact CE2-CB 3.42Å; F52-Q70 HydrophobicContact CE2-CG 4.24Å; F52-Q70 HydrophobicContact CZ-CB 3.98Å; F52-F71 HydrophobicContact CD1-CB 4.08Å; F52-F71 HydrophobicContact CD1-CD2 4.29Å; F52-F71 HydrophobicContact CE1-CB 3.6Å; F52-F71 HydrophobicContact CE1-CD2 4.41Å; F52-F71 HydrophobicContact CE1-CG 4.48Å; F52-F71 HydrophobicContact CZ-CB 4.35Å; F52-L74 HydrophobicContact CB-CD1 4.26Å
53	I	85.5	Confident	83.7	Confident	90 Å²	90	102.1 Å²	102.1	46%	0.462	47%	0.472	S	S	.	.	H	α-helix	trans	-60.7	-40.6	173.6	-69.5	166.6	0	0	0	110.5	L49 T56 W57	L49-I53 HydrophobicContact CD1-CD1 4.49Å; L49-I53 HydrophobicContact CG-CD1 4.06Å; L49-I53 WeakPolarHBondContact O-CB 3.34Å; L49-I53 WeakPolarHBondContact O-CD1 3.49Å; L49-I53 WeakPolarHBondContact O-CG1 3.43Å; L49-I53 PolarHBondContact O-N 2.9Å; I53-T56 WeakPolarHBondContact CA-OG1 3.44Å; I53-T56 PolarHBondContact O-OG1 3.17Å; I53-W57 VanDerWaalsContact O-CB 3.3Å; I53-W57 WeakPolarHBondContact O-CB 3.21Å; I53-W57 PolarHBondContact O-N 3.36Å; I53-W57 VanDerWaalsContact O-N 3.1Å
54	K	86.4	Confident	82.4	Confident	138 Å²	138	100.9 Å²	100.9	60%	0.6	47%	0.472	S	S	*	.	H	α-helix	trans	-64.2	-43.5	175.6	-167.3	180	179.2	-177.1	0	112.3	R50 E51 F52 Q58	R50-K54 WeakPolarHBondContact O-CB 3.48Å; R50-K54 PolarHBondContact O-N 3.06Å; E51-K54 WeakPolarHBondContact O-CB 3.39Å; E51-K54 PolarHBondContact O-N 3.02Å; F52-K54 VanDerWaalsContact C-N 3.29Å; F52-K54 PolarHBondContact O-N 3Å; K54-Q58 WeakPolarHBondContact O-CG 3.32Å; K54-Q58 PolarHBondContact O-N 3.38Å
55	N	83.5	Confident	81.4	Confident	78 Å²	78	106.1 Å²	106.1	42%	0.417	49%	0.491	S	S	.	.	H	α-helix	trans	-72.2	-39.5	-179.6	-71.6	-21.5	0	0	0	112.9	E51 F52 W57 Q58 R59	E51-N55 WeakPolarHBondContact O-CB 3.22Å; E51-N55 VanDerWaalsContact O-CG 3.28Å; E51-N55 PolarHBondContact O-N 3.07Å; E51-N55 PolarHBondContact O-ND2 2.95Å; F52-N55 PolarHBondContact O-N 3.07Å; N55-W57 VanDerWaalsContact C-N 3.31Å; N55-Q58 PolarHBondContact O-N 3.27Å; N55-R59 PolarHBondContact O-N 3.39Å
56	T	82.2	Confident	80.3	Confident	27 Å²	27	109 Å²	109	17%	0.166	50%	0.504	C	S	.	.	H	α-helix	trans	-66.1	-35.9	174.9	49.5	0	0	0	0	112.1	F52 I53 Q58 R59 K60 I66	F52-T56 HydrophobicContact CD1-CG2 3.86Å; F52-T56 HydrophobicContact CD2-CG2 4.3Å; F52-T56 HydrophobicContact CE1-CG2 3.26Å; F52-T56 HydrophobicContact CE2-CG2 3.77Å; F52-T56 HydrophobicContact CG-CG2 4.34Å; F52-T56 HydrophobicContact CZ-CG2 3.22Å; F52-T56 WeakPolarHBondContact O-CB 3.48Å; F52-T56 WeakPolarHBondContact O-CG2 3.47Å; F52-T56 PolarHBondContact O-N 3.31Å; F52-T56 PolarHBondContact O-OG1 2.98Å; I53-T56 WeakPolarHBondContact CA-OG1 3.44Å; I53-T56 PolarHBondContact O-OG1 3.17Å; T56-Q58 VanDerWaalsContact C-N 3.34Å; T56-R59 PolarHBondContact O-N 3.4Å; T56-K60 WeakPolarHBondContact O-CB 3.47Å; T56-K60 PolarHBondContact O-N 3.41Å; T56-I66 HydrophobicContact CG2-CG2 3.71Å
57	W	82.8	Confident	79.4	Confident	183 Å²	183	111.4 Å²	111.4	69%	0.693	52%	0.515	S	S	*	.	H	α-helix	trans	-62.1	-40.3	171.3	-172.2	87	0	0	0	112	I53 N55	I53-W57 VanDerWaalsContact O-CB 3.3Å; I53-W57 WeakPolarHBondContact O-CB 3.21Å; I53-W57 PolarHBondContact O-N 3.36Å; I53-W57 VanDerWaalsContact O-N 3.1Å; N55-W57 VanDerWaalsContact C-N 3.31Å
58	Q	82.2	Confident	78.8	Confident	104 Å²	104	109.6 Å²	109.6	49%	0.486	52%	0.52	S	S	.	.	H	α-helix	trans	-68.1	-44.1	173.9	-72.1	-179.9	-19.8	0	0	113.3	K54 N55 T56 K60 K61 S62	K54-Q58 WeakPolarHBondContact O-CG 3.32Å; K54-Q58 PolarHBondContact O-N 3.38Å; N55-Q58 PolarHBondContact O-N 3.27Å; T56-Q58 VanDerWaalsContact C-N 3.34Å; Q58-K60 PolarHBondContact O-N 3.48Å; Q58-K61 WeakPolarHBondContact O-CB 3.28Å; Q58-K61 PolarHBondContact O-N 2.94Å; Q58-S62 PolarHBondContact O-N 3.11Å
59	R	76.2	Confident	78.4	Confident	103 Å²	103	111 Å²	111	39%	0.389	53%	0.53	S	S	.	.	H	α-helix	trans	-67.3	-32.7	179.3	-75.1	-176.1	177.2	175	1.5	113.8	N55 T56 K61 S62 Q63	N55-R59 PolarHBondContact O-N 3.39Å; T56-R59 PolarHBondContact O-N 3.4Å; R59-K61 PolarHBondContact O-N 3.26Å; R59-S62 WeakPolarHBondContact CA-OG 3.46Å; R59-S62 PolarHBondContact O-N 3.29Å; R59-S62 VanDerWaalsContact O-N 3.1Å; R59-S62 PolarHBondContact O-OG 2.68Å; R59-Q63 PolarHBondContact O-N 3.25Å
60	K	78	Confident	77.9	Confident	160 Å²	160	114.5 Å²	114.5	70%	0.696	55%	0.545	S	S	*	.	H	α-helix	trans	-60.6	-28.2	171.4	-170.2	177.2	177.1	-179.2	0	111.8	T56 Q58 I66	T56-K60 WeakPolarHBondContact O-CB 3.47Å; T56-K60 PolarHBondContact O-N 3.41Å; Q58-K60 PolarHBondContact O-N 3.48Å; K60-I66 HydrophobicContact CB-CD1 4.19Å
61	K	75.7	Confident	77.7	Confident	181 Å²	181	109.9 Å²	109.9	79%	0.787	53%	0.53	S	S	*	.	H	α-helix	trans	-75.4	-28	175.5	-163.6	-179.8	177.2	-179.1	0	112.8	Q58 R59	Q58-K61 WeakPolarHBondContact O-CB 3.28Å; Q58-K61 PolarHBondContact O-N 2.94Å; R59-K61 PolarHBondContact O-N 3.26Å
62	S	67.5	Low	77.6	Confident	72 Å²	72	106.1 Å²	106.1	50%	0.503	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	12.7	-176.5	49.3	0	0	0	0	115.1	Q58 R59 E64	Q58-S62 PolarHBondContact O-N 3.11Å; R59-S62 WeakPolarHBondContact CA-OG 3.46Å; R59-S62 PolarHBondContact O-N 3.29Å; R59-S62 VanDerWaalsContact O-N 3.1Å; R59-S62 PolarHBondContact O-OG 2.68Å; S62-E64 PolarHBondContact O-N 2.63Å; S62-E64 VanDerWaalsContact O-N 3.16Å
63	Q	67.8	Low	77.7	Confident	193 Å²	193	108.3 Å²	108.3	90%	0.902	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	20	179.5	-77	-165	-27.2	0	0	116.3	R59	R59-Q63 PolarHBondContact O-N 3.25Å
64	E	64.7	Low	77.8	Confident	123 Å²	123	105.3 Å²	105.3	58%	0.575	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-86.3	154.8	174.7	-75.7	-176.7	156.7	0	0	113.3	S62	S62-E64 PolarHBondContact O-N 2.63Å; S62-E64 VanDerWaalsContact O-N 3.16Å
65	K	68.8	Low	77.9	Confident	198 Å²	198	101.9 Å²	101.9	86%	0.861	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-66	135.2	175.3	-70.6	-175.7	179.3	178.7	0	111.2
66	I	67.3	Low	78.2	Confident	80 Å²	80	103.3 Å²	103.3	41%	0.41	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-96	131	-178.5	-60.9	169.4	0	0	0	109.7	T56 K60 A68	T56-I66 HydrophobicContact CG2-CG2 3.71Å; K60-I66 HydrophobicContact CB-CD1 4.19Å; I66-A68 PolarHBondContact O-N 3.41Å
67	N	70.1	Confident	78.5	Confident	80 Å²	80	103.7 Å²	103.7	43%	0.428	52%	0.521	S	S	.	.			trans	-84.4	97.9	177.9	-68.4	-14.9	0	0	0	110.9	F52 S69	F52-N67 VanDerWaalsContact CZ-O 3.27Å; F52-N67 WeakPolarHBondContact CZ-O 3.31Å; N67-S69 PolarHBondContact O-N 2.99Å
68	A	77.6	Confident	78.8	Confident	76 Å²	76	96.3 Å²	96.3	63%	0.628	50%	0.495	S	S	*	.	H	α-helix	trans	-63.7	-19.9	176.8	0	0	0	0	0	114.1	I66 Q70 F71 A72	I66-A68 PolarHBondContact O-N 3.41Å; A68-Q70 PolarHBondContact O-N 3Å; A68-F71 PolarHBondContact O-N 3.46Å; A68-A72 PolarHBondContact O-N 3.33Å
69	S	80.2	Confident	79.3	Confident	84 Å²	84	98.2 Å²	98.2	59%	0.587	50%	0.501	S	S	*	.	H	α-helix	trans	-62.5	-37.4	-177	54.7	0	0	0	0	113.6	N67 A72 S73	N67-S69 PolarHBondContact O-N 2.99Å; S69-A72 PolarHBondContact O-N 3.42Å; S69-S73 WeakPolarHBondContact O-CB 3.35Å; S69-S73 PolarHBondContact O-N 2.87Å
70	Q	78	Confident	79.8	Confident	99 Å²	99	96.1 Å²	96.1	46%	0.463	50%	0.496	S	S	.	.	H	α-helix	trans	-69.2	-39.5	-178.5	-72.2	-179.1	-5.9	0	0	112.1	F52 A68 S73 L74	F52-Q70 HydrophobicContact CD2-CB 3.74Å; F52-Q70 VanDerWaalsContact CD2-OE1 3.22Å; F52-Q70 HydrophobicContact CE2-CB 3.42Å; F52-Q70 VanDerWaalsContact CE2-CB 3.42Å; F52-Q70 HydrophobicContact CE2-CG 4.24Å; F52-Q70 HydrophobicContact CZ-CB 3.98Å; A68-Q70 PolarHBondContact O-N 3Å; Q70-S73 WeakPolarHBondContact O-CB 3.15Å; Q70-S73 PolarHBondContact O-N 3.25Å; Q70-L74 WeakPolarHBondContact O-CG 3.45Å; Q70-L74 PolarHBondContact O-N 3.13Å; Q70-L74 VanDerWaalsContact O-N 3.1Å
71	F	84.3	Confident	80.3	Confident	90 Å²	90	88.8 Å²	88.8	40%	0.395	46%	0.464	S	S	.	.	H	α-helix	trans	-64.8	-47.2	174.7	-176.5	-97.2	0	0	0	112	L49 F52 A68 S73 L74 M75	L49-F71 HydrophobicContact CD1-CD2 3.62Å; L49-F71 HydrophobicContact CD1-CE2 3.62Å; F52-F71 HydrophobicContact CD1-CB 4.08Å; F52-F71 HydrophobicContact CD1-CD2 4.29Å; F52-F71 HydrophobicContact CE1-CB 3.6Å; F52-F71 HydrophobicContact CE1-CD2 4.41Å; F52-F71 HydrophobicContact CE1-CG 4.48Å; F52-F71 HydrophobicContact CZ-CB 4.35Å; A68-F71 PolarHBondContact O-N 3.46Å; F71-S73 VanDerWaalsContact C-N 3.27Å; F71-S73 PolarHBondContact O-N 2.87Å; F71-L74 PolarHBondContact O-N 3.35Å; F71-M75 HydrophobicContact CD1-CG 4.08Å; F71-M75 HydrophobicContact CE1-CG 3.61Å; F71-M75 HydrophobicContact CE2-CG 4.34Å; F71-M75 HydrophobicContact CZ-CG 3.76Å; F71-M75 HydrophobicContact CZ-SD 4.23Å; F71-M75 PolarHBondContact O-N 3.03Å
72	A	86.4	Confident	81	Confident	47 Å²	47	84.5 Å²	84.5	39%	0.388	45%	0.45	S	S	.	.	H	α-helix	trans	-58.3	-43	177.4	0	0	0	0	0	110.7	A68 S69 L74 M75 I76	A68-A72 PolarHBondContact O-N 3.33Å; S69-A72 PolarHBondContact O-N 3.42Å; A72-L74 PolarHBondContact O-N 3.46Å; A72-M75 PolarHBondContact O-N 3.24Å; A72-I76 WeakPolarHBondContact O-CB 3.38Å; A72-I76 WeakPolarHBondContact O-CD1 3.33Å; A72-I76 WeakPolarHBondContact O-CG1 3.39Å; A72-I76 PolarHBondContact O-N 3.44Å
73	S	86.9	Confident	82.1	Confident	69 Å²	69	85.3 Å²	85.3	48%	0.483	44%	0.442	S	S	.	.	H	α-helix	trans	-57.3	-49.9	175.7	-168.9	0	0	0	0	112.4	S69 Q70 F71 M75 I76 S77	S69-S73 WeakPolarHBondContact O-CB 3.35Å; S69-S73 PolarHBondContact O-N 2.87Å; Q70-S73 WeakPolarHBondContact O-CB 3.15Å; Q70-S73 PolarHBondContact O-N 3.25Å; F71-S73 VanDerWaalsContact C-N 3.27Å; F71-S73 PolarHBondContact O-N 2.87Å; S73-M75 PolarHBondContact O-N 3.2Å; S73-I76 PolarHBondContact O-N 3.45Å; S73-S77 PolarHBondContact O-N 2.95Å; S73-S77 PolarHBondContact O-OG 3Å; S73-S77 VanDerWaalsContact O-OG 3.07Å
74	L	87.2	Confident	83.1	Confident	26 Å²	26	78.8 Å²	78.8	14%	0.136	41%	0.409	C	S	.	.	H	α-helix	trans	-65	-39.9	-179.4	-70.3	168.7	0	0	0	112.7	L49 F52 Q70 F71 A72 I76 S77 I78	L49-L74 HydrophobicContact CB-CD1 4.15Å; L49-L74 HydrophobicContact CD1-CB 4.02Å; L49-L74 HydrophobicContact CD1-CD1 4.02Å; F52-L74 HydrophobicContact CB-CD1 4.26Å; Q70-L74 WeakPolarHBondContact O-CG 3.45Å; Q70-L74 PolarHBondContact O-N 3.13Å; Q70-L74 VanDerWaalsContact O-N 3.1Å; F71-L74 PolarHBondContact O-N 3.35Å; A72-L74 PolarHBondContact O-N 3.46Å; L74-I76 VanDerWaalsContact C-N 3.34Å; L74-S77 PolarHBondContact O-N 3.43Å; L74-I78 WeakPolarHBondContact O-CG1 3.44Å; L74-I78 PolarHBondContact O-N 3.22Å
75	M	88.2	Confident	84.2	Confident	66 Å²	66	75.5 Å²	75.5	33%	0.325	40%	0.397	S	S	.	.	H	α-helix	trans	-66.3	-36.4	175.9	-75.9	-59	-58.7	0	0	112.4	L49 F71 A72 S73 K79	L49-M75 HydrophobicContact CD2-SD 4.41Å; F71-M75 HydrophobicContact CD1-CG 4.08Å; F71-M75 HydrophobicContact CE1-CG 3.61Å; F71-M75 HydrophobicContact CE2-CG 4.34Å; F71-M75 HydrophobicContact CZ-CG 3.76Å; F71-M75 HydrophobicContact CZ-SD 4.23Å; F71-M75 PolarHBondContact O-N 3.03Å; A72-M75 PolarHBondContact O-N 3.24Å; S73-M75 PolarHBondContact O-N 3.2Å; M75-K79 WeakPolarHBondContact O-CG 3.44Å; M75-K79 PolarHBondContact O-N 2.7Å; M75-K79 VanDerWaalsContact O-N 3.11Å
76	I	89.5	Confident	85.2	Confident	108 Å²	108	71.7 Å²	71.7	55%	0.554	38%	0.383	S	S	*	.	H	α-helix	trans	-63.6	-47	173.1	-69.4	163	0	0	0	109.5	A72 S73 L74 I78 K79 E80	A72-I76 WeakPolarHBondContact O-CB 3.38Å; A72-I76 WeakPolarHBondContact O-CD1 3.33Å; A72-I76 WeakPolarHBondContact O-CG1 3.39Å; A72-I76 PolarHBondContact O-N 3.44Å; S73-I76 PolarHBondContact O-N 3.45Å; L74-I76 VanDerWaalsContact C-N 3.34Å; I76-I78 PolarHBondContact O-N 3Å; I76-K79 PolarHBondContact O-N 3.23Å; I76-E80 WeakPolarHBondContact O-CB 3.41Å; I76-E80 PolarHBondContact O-N 3.11Å
77	S	88.5	Confident	86.3	Confident	35 Å²	35	68.4 Å²	68.4	25%	0.245	37%	0.366	C	S	.	.	H	α-helix	trans	-59.2	-41.4	177.6	-57	0	0	0	0	112.9	S73 L74 E80 L81	S73-S77 PolarHBondContact O-N 2.95Å; S73-S77 PolarHBondContact O-OG 3Å; S73-S77 VanDerWaalsContact O-OG 3.07Å; L74-S77 PolarHBondContact O-N 3.43Å; S77-E80 WeakPolarHBondContact O-CB 3.42Å; S77-E80 PolarHBondContact O-N 3.44Å; S77-L81 WeakPolarHBondContact O-CD1 3.29Å; S77-L81 VanDerWaalsContact O-CG 3.28Å; S77-L81 WeakPolarHBondContact O-CG 3.37Å; S77-L81 PolarHBondContact O-N 2.98Å
78	I	89.8	Confident	87.2	Confident	29 Å²	29	66 Å²	66	15%	0.149	35%	0.35	C	S	.	.	H	α-helix	trans	-64.8	-43.8	176.4	-73.6	169.5	0	0	0	111.8	F42 C45 L49 L74 I76 E80 L81 N82	F42-I78 HydrophobicContact CE2-CG1 4.47Å; F42-I78 HydrophobicContact CE2-CG2 3.91Å; C45-I78 HydrophobicContact CB-CG1 4.14Å; L49-I78 HydrophobicContact CD2-CD1 4.03Å; L74-I78 WeakPolarHBondContact O-CG1 3.44Å; L74-I78 PolarHBondContact O-N 3.22Å; I76-I78 PolarHBondContact O-N 3Å; I78-E80 VanDerWaalsContact C-N 3.32Å; I78-L81 PolarHBondContact O-N 2.98Å; I78-N82 PolarHBondContact O-N 2.83Å
79	K	91.7	Very high	87.8	Confident	144 Å²	144	66.3 Å²	66.3	63%	0.626	34%	0.341	S	S	*	.	H	α-helix	trans	-65.1	-38.8	177.2	-76.2	-177.1	176.1	-175.3	0	111.6	M75 I76 N82 R83	M75-K79 WeakPolarHBondContact O-CG 3.44Å; M75-K79 PolarHBondContact O-N 2.7Å; M75-K79 VanDerWaalsContact O-N 3.11Å; I76-K79 PolarHBondContact O-N 3.23Å; K79-N82 PolarHBondContact O-N 2.76Å; K79-R83 WeakPolarHBondContact O-CB 3.43Å; K79-R83 PolarHBondContact O-N 2.95Å
80	E	88.5	Confident	88.3	Confident	59 Å²	59	68.5 Å²	68.5	28%	0.276	34%	0.336	S	S	.	.	H	α-helix	trans	-59.1	-48.4	173.1	-172.4	-179.2	169.3	0	0	110.8	E26 I76 S77 I78 N82 R83 R84	E26-E80 WeakPolarHBondContact OE1-CG 3.41Å; I76-E80 WeakPolarHBondContact O-CB 3.41Å; I76-E80 PolarHBondContact O-N 3.11Å; S77-E80 WeakPolarHBondContact O-CB 3.42Å; S77-E80 PolarHBondContact O-N 3.44Å; I78-E80 VanDerWaalsContact C-N 3.32Å; E80-N82 PolarHBondContact O-N 2.79Å; E80-R83 PolarHBondContact O-N 3.33Å; E80-R84 WeakPolarHBondContact O-CG 3.32Å; E80-R84 PolarHBondContact O-N 3.47Å; E80-R84 IonicContact OE1-CZ 3.68Å; E80-R84 IonicContact OE1-NE 3.51Å; E80-R84 IonicContact OE1-NH2 3.49Å; E80-R84 PolarHBondContact OE1-NH2 3.44Å
81	L	88	Confident	88.9	Confident	6 Å²	6	67.1 Å²	67.1	3%	0.031	33%	0.329	C	S	.	.	H	α-helix	trans	-62.4	-38.9	177.5	-72.4	163.1	0	0	0	113.6	D38 Q41 F42 S77 I78 R84 T85	D38-L81 HydrophobicContact CB-CD2 3.86Å; Q41-L81 HydrophobicContact CB-CD1 4.21Å; Q41-L81 HydrophobicContact CB-CD2 4.08Å; F42-L81 HydrophobicContact CB-CD1 3.92Å; F42-L81 HydrophobicContact CD2-CB 4.39Å; F42-L81 HydrophobicContact CD2-CD1 4.26Å; S77-L81 WeakPolarHBondContact O-CD1 3.29Å; S77-L81 VanDerWaalsContact O-CG 3.28Å; S77-L81 WeakPolarHBondContact O-CG 3.37Å; S77-L81 PolarHBondContact O-N 2.98Å; I78-L81 PolarHBondContact O-N 2.98Å; L81-R84 PolarHBondContact O-N 2.68Å; L81-T85 PolarHBondContact O-N 2.77Å; L81-T85 PolarHBondContact O-OG1 3.48Å
82	N	90.7	Very high	89.1	Confident	90 Å²	90	65.6 Å²	65.6	48%	0.481	33%	0.329	S	S	.	.	H	α-helix	trans	-66	-44.5	175.5	-171	3.4	0	0	0	111.2	I78 K79 E80 R84 T85 Q86	I78-N82 PolarHBondContact O-N 2.83Å; K79-N82 PolarHBondContact O-N 2.76Å; E80-N82 PolarHBondContact O-N 2.79Å; N82-R84 PolarHBondContact O-N 3.35Å; N82-T85 WeakPolarHBondContact O-CB 3.38Å; N82-T85 PolarHBondContact O-N 2.97Å; N82-T85 VanDerWaalsContact O-N 3.11Å; N82-Q86 PolarHBondContact O-N 3.07Å
83	R	89.8	Confident	89.4	Confident	89 Å²	89	72.1 Å²	72.1	34%	0.336	34%	0.344	S	S	.	.	H	α-helix	trans	-60.2	-44.1	175.1	-179.4	175	57.5	-146.6	-2.8	111.4	E26 K79 E80 T85 Q86 F87	E26-R83 VanDerWaalsContact CD-CZ 3.42Å; E26-R83 IonicContact OE1-CZ 2.68Å; E26-R83 IonicContact OE1-NE 3.86Å; E26-R83 PolarHBondContact OE1-NE 3.48Å; E26-R83 IonicContact OE1-NH2 3.17Å; E26-R83 PolarHBondContact OE1-NH2 2.96Å; E26-R83 IonicContact OE2-CZ 3.67Å; E26-R83 IonicContact OE2-NE 2.77Å; E26-R83 PolarHBondContact OE2-NE 3.11Å; E26-R83 IonicContact OE2-NH1 2.68Å; E26-R83 IonicContact OE2-NH2 2.88Å; E26-R83 PolarHBondContact OE2-NH2 3.48Å; K79-R83 WeakPolarHBondContact O-CB 3.43Å; K79-R83 PolarHBondContact O-N 2.95Å; E80-R83 PolarHBondContact O-N 3.33Å; R83-T85 VanDerWaalsContact C-N 3.28Å; R83-T85 PolarHBondContact O-N 2.97Å; R83-Q86 PolarHBondContact O-N 3.27Å; R83-F87 HydrophobicContact CG-CD2 3.92Å; R83-F87 HydrophobicContact CG-CE2 3.36Å; R83-F87 HydrophobicContact CG-CZ 3.73Å; R83-F87 VanDerWaalsContact O-CD2 3.32Å; R83-F87 WeakPolarHBondContact O-CD2 3.4Å; R83-F87 WeakPolarHBondContact O-CG 3.37Å; R83-F87 PolarHBondContact O-N 2.88Å
84	R	88.4	Confident	89.7	Confident	56 Å²	56	73.7 Å²	73.7	21%	0.211	34%	0.343	C	S	.	.	H	α-helix	trans	-56.6	-40.8	172.6	-71.6	-179.1	-174.6	173.9	4.2	112.5	V30 D38 E80 L81 N82 F87 R88	V30-R84 WeakPolarHBondContact CG1-O 3.38Å; V30-R84 HydrophobicContact CG2-CB 4.01Å; V30-R84 HydrophobicContact CG2-CG 3.99Å; D38-R84 IonicContact OD1-NH1 2.93Å; E80-R84 WeakPolarHBondContact O-CG 3.32Å; E80-R84 PolarHBondContact O-N 3.47Å; E80-R84 IonicContact OE1-CZ 3.68Å; E80-R84 IonicContact OE1-NE 3.51Å; E80-R84 IonicContact OE1-NH2 3.49Å; E80-R84 PolarHBondContact OE1-NH2 3.44Å; L81-R84 PolarHBondContact O-N 2.68Å; N82-R84 PolarHBondContact O-N 3.35Å; R84-F87 PolarHBondContact O-N 3.21Å; R84-R88 PolarHBondContact O-N 3.19Å
85	T	87.9	Confident	89.9	Confident	54 Å²	54	75.4 Å²	75.4	33%	0.331	35%	0.352	S	S	.	.	H	α-helix	trans	-66.1	-42.4	178	-60	0	0	0	0	112.3	L81 N82 R83 R88 I89	L81-T85 PolarHBondContact O-N 2.77Å; L81-T85 PolarHBondContact O-OG1 3.48Å; N82-T85 WeakPolarHBondContact O-CB 3.38Å; N82-T85 PolarHBondContact O-N 2.97Å; N82-T85 VanDerWaalsContact O-N 3.11Å; R83-T85 VanDerWaalsContact C-N 3.28Å; R83-T85 PolarHBondContact O-N 2.97Å; T85-R88 WeakPolarHBondContact O-CB 3.38Å; T85-R88 PolarHBondContact O-N 3.11Å; T85-I89 HydrophobicContact CG2-CD1 4.23Å; T85-I89 WeakPolarHBondContact O-CG1 3.39Å; T85-I89 PolarHBondContact O-N 3.47Å
86	Q	90.6	Very high	90.2	Very high	119 Å²	119	76.4 Å²	76.4	56%	0.556	36%	0.362	S	S	*	.	H	α-helix	trans	-63.6	-42.9	175.8	-68.4	-179.4	13.2	0	0	111.8	N82 R83 R88 I89 R90	N82-Q86 PolarHBondContact O-N 3.07Å; R83-Q86 PolarHBondContact O-N 3.27Å; Q86-R88 VanDerWaalsContact C-N 3.31Å; Q86-R88 PolarHBondContact O-N 3.37Å; Q86-I89 PolarHBondContact O-N 3.47Å; Q86-R90 WeakPolarHBondContact O-CB 3.39Å; Q86-R90 PolarHBondContact O-N 2.88Å
87	F	90.4	Very high	90.5	Very high	11 Å²	11	73.6 Å²	73.6	5%	0.048	35%	0.354	C	S	.	.	H	α-helix	trans	-59.2	-41.8	173	-68.2	-37.1	0	0	0	112	F23 E26 E27 V30 R83 R84 I89 R90 K91	F23-F87 HydrophobicContact CD1-CZ 4.21Å; F23-F87 AromaticContact CD2-CZ 3.83Å; F23-F87 HydrophobicContact CD2-CZ 3.83Å; F23-F87 AromaticContact CE1-CE1 3.76Å; F23-F87 HydrophobicContact CE1-CE1 3.76Å; F23-F87 AromaticContact CE1-CZ 3.83Å; F23-F87 HydrophobicContact CE1-CZ 3.83Å; F23-F87 AromaticContact CE2-CE1 3.83Å; F23-F87 HydrophobicContact CE2-CE1 3.83Å; F23-F87 AromaticContact CE2-CZ 3.43Å; F23-F87 HydrophobicContact CE2-CZ 3.43Å; F23-F87 VanDerWaalsContact CE2-CZ 3.43Å; F23-F87 HydrophobicContact CG-CZ 4.21Å; F23-F87 AromaticContact CZ-CE1 3.36Å; F23-F87 HydrophobicContact CZ-CE1 3.36Å; F23-F87 AromaticContact CZ-CZ 3.44Å; F23-F87 HydrophobicContact CZ-CZ 3.44Å; F23-F87 VanDerWaalsContact CZ-CZ 3.44Å; E26-F87 HydrophobicContact CB-CE2 4.12Å; E26-F87 HydrophobicContact CG-CD2 4.49Å; E26-F87 HydrophobicContact CG-CE2 4.11Å; E27-F87 HydrophobicContact CB-CD1 3.93Å; E27-F87 HydrophobicContact CB-CD2 4.14Å; E27-F87 HydrophobicContact CB-CE1 3.89Å; E27-F87 HydrophobicContact CB-CE2 4.07Å; E27-F87 HydrophobicContact CB-CG 4.07Å; E27-F87 HydrophobicContact CB-CZ 3.95Å; E27-F87 HydrophobicContact CG-CB 4.45Å; E27-F87 HydrophobicContact CG-CD1 3.74Å; E27-F87 HydrophobicContact CG-CE1 4.04Å; E27-F87 HydrophobicContact CG-CG 4.08Å; V30-F87 HydrophobicContact CB-CB 4.28Å; V30-F87 HydrophobicContact CG2-CB 3.83Å; V30-F87 HydrophobicContact CG2-CD2 4.01Å; V30-F87 HydrophobicContact CG2-CG 4.43Å; R83-F87 HydrophobicContact CG-CD2 3.92Å; R83-F87 HydrophobicContact CG-CE2 3.36Å; R83-F87 HydrophobicContact CG-CZ 3.73Å; R83-F87 VanDerWaalsContact O-CD2 3.32Å; R83-F87 WeakPolarHBondContact O-CD2 3.4Å; R83-F87 WeakPolarHBondContact O-CG 3.37Å; R83-F87 PolarHBondContact O-N 2.88Å; R84-F87 PolarHBondContact O-N 3.21Å; F87-I89 PolarHBondContact O-N 3.25Å; F87-R90 PolarHBondContact O-N 3.36Å; F87-K91 VanDerWaalsContact O-CB 3.27Å; F87-K91 WeakPolarHBondContact O-CB 3.41Å; F87-K91 PolarHBondContact O-N 2.92Å
88	R	89.2	Confident	90.8	Very high	29 Å²	29	76.8 Å²	76.8	11%	0.109	37%	0.366	C	S	.	.	H	α-helix	trans	-60.1	-46.1	175.4	-167.6	-176.5	-64.5	112.6	7.4	112.3	V30 K31 L32 D38 R84 T85 Q86 K91 S92	V30-R88 HydrophobicContact CG1-CB 3.84Å; V30-R88 HydrophobicContact CG1-CG 4.45Å; K31-R88 PolarHBondContact O-NE 3.36Å; L32-R88 HydrophobicContact CD2-CG 3.98Å; L32-R88 WeakPolarHBondContact O-CD 3.35Å; D38-R88 IonicContact OD2-CZ 3.24Å; D38-R88 IonicContact OD2-NH1 3.9Å; D38-R88 IonicContact OD2-NH2 2.63Å; D38-R88 PolarHBondContact OD2-NH2 3Å; R84-R88 PolarHBondContact O-N 3.19Å; T85-R88 WeakPolarHBondContact O-CB 3.38Å; T85-R88 PolarHBondContact O-N 3.11Å; Q86-R88 VanDerWaalsContact C-N 3.31Å; Q86-R88 PolarHBondContact O-N 3.37Å; R88-K91 PolarHBondContact O-N 2.92Å; R88-S92 WeakPolarHBondContact O-CB 3.47Å; R88-S92 PolarHBondContact O-N 3.32Å
89	I	89.5	Confident	91	Very high	82 Å²	82	79.3 Å²	79.3	42%	0.421	38%	0.379	S	S	.	.	H	α-helix	trans	-62.8	-45.3	179	-68.7	167.4	0	0	0	110.4	T85 Q86 F87 S92 R93	T85-I89 HydrophobicContact CG2-CD1 4.23Å; T85-I89 WeakPolarHBondContact O-CG1 3.39Å; T85-I89 PolarHBondContact O-N 3.47Å; Q86-I89 PolarHBondContact O-N 3.47Å; F87-I89 PolarHBondContact O-N 3.25Å; I89-S92 PolarHBondContact O-N 3.3Å; I89-R93 WeakPolarHBondContact O-CG 3.27Å; I89-R93 PolarHBondContact O-N 3.45Å
90	R	91.2	Very high	91.3	Very high	131 Å²	131	78.8 Å²	78.8	49%	0.494	38%	0.377	S	S	.	.	H	α-helix	trans	-59.5	-50.8	177.2	-172.3	-177.2	-169.1	160.9	12.3	111.2	E27 Q86 F87 S92 R93 E94	E27-R90 IonicContact OE1-NH1 2.8Å; Q86-R90 WeakPolarHBondContact O-CB 3.39Å; Q86-R90 PolarHBondContact O-N 2.88Å; F87-R90 PolarHBondContact O-N 3.36Å; R90-S92 VanDerWaalsContact C-N 3.32Å; R90-S92 PolarHBondContact O-N 3.01Å; R90-R93 PolarHBondContact O-N 3.41Å; R90-R93 VanDerWaalsContact O-N 3.13Å; R90-E94 VanDerWaalsContact CG-OE1 3.31Å; R90-E94 WeakPolarHBondContact CG-OE1 3.22Å; R90-E94 IonicContact CZ-OE1 3.68Å; R90-E94 IonicContact NE-OE1 3.76Å; R90-E94 PolarHBondContact NE-OE1 2.98Å; R90-E94 WeakPolarHBondContact O-CG 3.37Å; R90-E94 PolarHBondContact O-N 3.49Å
91	K	89.6	Confident	91.6	Very high	70 Å²	70	80.4 Å²	80.4	30%	0.304	39%	0.388	S	S	.	.	H	α-helix	trans	-58.2	-42	177.6	-170	169.1	-175.6	169	0	112.2	V30 L32 F87 R88 E94 I95	V30-K91 PolarHBondContact O-NZ 3.24Å; L32-K91 HydrophobicContact CD2-CB 4.39Å; L32-K91 HydrophobicContact CD2-CG 4.37Å; F87-K91 VanDerWaalsContact O-CB 3.27Å; F87-K91 WeakPolarHBondContact O-CB 3.41Å; F87-K91 PolarHBondContact O-N 2.92Å; R88-K91 PolarHBondContact O-N 2.92Å; K91-E94 PolarHBondContact O-N 3.18Å; K91-I95 HydrophobicContact CG-CD1 3.96Å; K91-I95 WeakPolarHBondContact O-CB 3.45Å; K91-I95 WeakPolarHBondContact O-CD1 3.44Å; K91-I95 WeakPolarHBondContact O-CG1 3.33Å; K91-I95 PolarHBondContact O-N 3.47Å
92	S	88.9	Confident	92	Very high	57 Å²	57	84.5 Å²	84.5	40%	0.399	41%	0.405	S	S	.	.	H	α-helix	trans	-64.2	-41.5	175.8	174.9	0	0	0	0	112.7	R88 I89 R90 T96	R88-S92 WeakPolarHBondContact O-CB 3.47Å; R88-S92 PolarHBondContact O-N 3.32Å; I89-S92 PolarHBondContact O-N 3.3Å; R90-S92 VanDerWaalsContact C-N 3.32Å; R90-S92 PolarHBondContact O-N 3.01Å; S92-T96 WeakPolarHBondContact O-CB 3.31Å; S92-T96 PolarHBondContact O-N 2.86Å; S92-T96 PolarHBondContact O-OG1 3.01Å
93	R	93.8	Very high	92.2	Very high	185 Å²	185	84.5 Å²	84.5	70%	0.698	41%	0.408	S	S	*	.	H	α-helix	trans	-66.4	-43.6	176.1	-73.9	177.7	177.2	-179	-0.7	112	I89 R90 T96 A97	I89-R93 WeakPolarHBondContact O-CG 3.27Å; I89-R93 PolarHBondContact O-N 3.45Å; R90-R93 PolarHBondContact O-N 3.41Å; R90-R93 VanDerWaalsContact O-N 3.13Å; R93-T96 PolarHBondContact O-N 2.89Å; R93-A97 WeakPolarHBondContact O-CB 3.37Å; R93-A97 PolarHBondContact O-N 2.94Å
94	E	93.1	Very high	92.6	Very high	101 Å²	101	84.1 Å²	84.1	47%	0.472	41%	0.413	S	S	.	.	H	α-helix	trans	-62.1	-46.3	177.9	-73.9	171	-175.4	0	0	111	R90 K91 T96 A97 E98	R90-E94 VanDerWaalsContact CG-OE1 3.31Å; R90-E94 WeakPolarHBondContact CG-OE1 3.22Å; R90-E94 IonicContact CZ-OE1 3.68Å; R90-E94 IonicContact NE-OE1 3.76Å; R90-E94 PolarHBondContact NE-OE1 2.98Å; R90-E94 WeakPolarHBondContact O-CG 3.37Å; R90-E94 PolarHBondContact O-N 3.49Å; K91-E94 PolarHBondContact O-N 3.18Å; E94-T96 VanDerWaalsContact C-N 3.34Å; E94-T96 PolarHBondContact O-N 3.13Å; E94-A97 PolarHBondContact O-N 3.46Å; E94-E98 VanDerWaalsContact O-CB 3.32Å; E94-E98 WeakPolarHBondContact O-CB 3.35Å; E94-E98 PolarHBondContact O-N 2.9Å
95	I	91.4	Very high	92.9	Very high	62 Å²	62	88.1 Å²	88.1	32%	0.318	43%	0.434	S	S	.	.	H	α-helix	trans	-61.6	-41.6	175.7	-69.2	163.6	0	0	0	111.5	L32 K91 E98 N99	L32-I95 HydrophobicContact CD1-CD1 3.57Å; K91-I95 HydrophobicContact CG-CD1 3.96Å; K91-I95 WeakPolarHBondContact O-CB 3.45Å; K91-I95 WeakPolarHBondContact O-CD1 3.44Å; K91-I95 WeakPolarHBondContact O-CG1 3.33Å; K91-I95 PolarHBondContact O-N 3.47Å; I95-E98 PolarHBondContact O-N 3.14Å; I95-N99 WeakPolarHBondContact O-CB 3.41Å; I95-N99 VanDerWaalsContact O-CG 3.29Å; I95-N99 PolarHBondContact O-N 2.75Å; I95-N99 PolarHBondContact O-ND2 2.83Å
96	T	94.3	Very high	93.3	Very high	88 Å²	88	91.9 Å²	91.9	54%	0.54	45%	0.451	S	S	.	.	H	α-helix	trans	-67.3	-41.1	179	-54.1	0	0	0	0	111.5	S92 R93 E94 K100	S92-T96 WeakPolarHBondContact O-CB 3.31Å; S92-T96 PolarHBondContact O-N 2.86Å; S92-T96 PolarHBondContact O-OG1 3.01Å; R93-T96 PolarHBondContact O-N 2.89Å; E94-T96 VanDerWaalsContact C-N 3.34Å; E94-T96 PolarHBondContact O-N 3.13Å; T96-K100 WeakPolarHBondContact O-CB 3.35Å; T96-K100 PolarHBondContact O-N 3.44Å
97	A	95.6	Very high	93.6	Very high	48 Å²	48	91 Å²	91	40%	0.397	45%	0.447	S	S	.	.	H	α-helix	trans	-67.7	-40.5	176.6	0	0	0	0	0	112	R93 E94 K100 N101	R93-A97 WeakPolarHBondContact O-CB 3.37Å; R93-A97 PolarHBondContact O-N 2.94Å; E94-A97 PolarHBondContact O-N 3.46Å; A97-K100 PolarHBondContact O-N 2.92Å; A97-N101 WeakPolarHBondContact O-CB 3.24Å; A97-N101 VanDerWaalsContact O-CG 3.24Å; A97-N101 PolarHBondContact O-N 2.69Å; A97-N101 PolarHBondContact O-ND2 3.38Å
98	E	94.8	Very high	93.8	Very high	103 Å²	103	95.6 Å²	95.6	48%	0.481	47%	0.471	S	S	.	.	H	α-helix	trans	-63.1	-45.6	175.5	-166.4	-168.5	155.6	0	0	111.1	E94 I95 N101 K102	E94-E98 VanDerWaalsContact O-CB 3.32Å; E94-E98 WeakPolarHBondContact O-CB 3.35Å; E94-E98 PolarHBondContact O-N 2.9Å; I95-E98 PolarHBondContact O-N 3.14Å; E98-N101 PolarHBondContact O-N 2.96Å; E98-K102 WeakPolarHBondContact O-CG 3.35Å; E98-K102 PolarHBondContact O-N 3.32Å; E98-K102 VanDerWaalsContact OE1-CE 3.24Å; E98-K102 WeakPolarHBondContact OE1-CE 3.32Å; E98-K102 IonicContact OE1-NZ 2.76Å; E98-K102 PolarHBondContact OE1-NZ 3.45Å
99	N	94.7	Very high	94.1	Very high	82 Å²	82	95.7 Å²	95.7	44%	0.439	48%	0.481	S	S	.	.	H	α-helix	trans	-66.2	-37.9	176.6	-72.8	-23.5	0	0	0	112.2	I95 K102 V103	I95-N99 WeakPolarHBondContact O-CB 3.41Å; I95-N99 VanDerWaalsContact O-CG 3.29Å; I95-N99 PolarHBondContact O-N 2.75Å; I95-N99 PolarHBondContact O-ND2 2.83Å; N99-K102 PolarHBondContact O-N 2.97Å; N99-V103 WeakPolarHBondContact O-CG2 3.38Å; N99-V103 PolarHBondContact O-N 3.34Å
100	K	96.4	Very high	94.5	Very high	132 Å²	132	96 Å²	96	57%	0.574	48%	0.484	S	S	*	.	H	α-helix	trans	-60.3	-48.6	172.8	-180	-179.5	172.3	177.4	0	111.2	T96 A97 K102 V103 D104	T96-K100 WeakPolarHBondContact O-CB 3.35Å; T96-K100 PolarHBondContact O-N 3.44Å; A97-K100 PolarHBondContact O-N 2.92Å; K100-K102 VanDerWaalsContact C-N 3.28Å; K100-K102 PolarHBondContact O-N 3.3Å; K100-V103 PolarHBondContact O-N 2.85Å; K100-V103 VanDerWaalsContact O-N 3.08Å; K100-D104 PolarHBondContact O-N 2.97Å
101	N	95.8	Very high	94.7	Very high	93 Å²	93	94.1 Å²	94.1	50%	0.497	48%	0.48	S	S	.	.	H	α-helix	trans	-60.8	-38	178	-70.6	-17	0	0	0	111.8	A97 E98 D104 Q105	A97-N101 WeakPolarHBondContact O-CB 3.24Å; A97-N101 VanDerWaalsContact O-CG 3.24Å; A97-N101 PolarHBondContact O-N 2.69Å; A97-N101 PolarHBondContact O-ND2 3.38Å; E98-N101 PolarHBondContact O-N 2.96Å; N101-D104 PolarHBondContact O-N 3.34Å; N101-Q105 WeakPolarHBondContact O-CB 3.48Å; N101-Q105 VanDerWaalsContact O-CG 3.25Å; N101-Q105 WeakPolarHBondContact O-CG 3.35Å; N101-Q105 PolarHBondContact O-N 2.8Å
102	K	95.3	Very high	95	Very high	92 Å²	92	95.7 Å²	95.7	40%	0.4	49%	0.492	S	S	.	.	H	α-helix	trans	-62.7	-42.7	173	-72	170.5	-174.7	164.5	0	111.9	E98 N99 K100 Q105 L106	E98-K102 WeakPolarHBondContact O-CG 3.35Å; E98-K102 PolarHBondContact O-N 3.32Å; E98-K102 VanDerWaalsContact OE1-CE 3.24Å; E98-K102 WeakPolarHBondContact OE1-CE 3.32Å; E98-K102 IonicContact OE1-NZ 2.76Å; E98-K102 PolarHBondContact OE1-NZ 3.45Å; N99-K102 PolarHBondContact O-N 2.97Å; K100-K102 VanDerWaalsContact C-N 3.28Å; K100-K102 PolarHBondContact O-N 3.3Å; K102-Q105 PolarHBondContact O-N 3.22Å; K102-L106 WeakPolarHBondContact O-CG 3.46Å; K102-L106 PolarHBondContact O-N 3.44Å
103	V	96.5	Very high	95.4	Very high	90 Å²	90	97.8 Å²	97.8	55%	0.545	50%	0.499	S	S	.	.	H	α-helix	trans	-65.5	-43.1	176.5	171.9	0	0	0	0	111.3	N99 K100 Q105 L106 H107	N99-V103 WeakPolarHBondContact O-CG2 3.38Å; N99-V103 PolarHBondContact O-N 3.34Å; K100-V103 PolarHBondContact O-N 2.85Å; K100-V103 VanDerWaalsContact O-N 3.08Å; V103-Q105 VanDerWaalsContact C-N 3.32Å; V103-Q105 PolarHBondContact O-N 3.08Å; V103-L106 PolarHBondContact O-N 2.99Å; V103-H107 WeakPolarHBondContact O-CB 3.25Å; V103-H107 PolarHBondContact O-N 3.45Å
104	D	96.7	Very high	95.5	Very high	81 Å²	81	93.4 Å²	93.4	43%	0.433	49%	0.488	S	S	.	.	H	α-helix	trans	-64	-38.4	178.2	-70	-23.3	0	0	0	111.3	K100 N101 H107 L108	K100-D104 PolarHBondContact O-N 2.97Å; N101-D104 PolarHBondContact O-N 3.34Å; D104-H107 PolarHBondContact O-N 3.45Å; D104-L108 WeakPolarHBondContact O-CB 3.47Å; D104-L108 PolarHBondContact O-N 2.93Å
105	Q	95.5	Very high	95.7	Very high	140 Å²	140	96.8 Å²	96.8	65%	0.654	50%	0.498	S	S	*	.	H	α-helix	trans	-63.4	-44.7	172.3	-74.8	172.5	4.9	0	0	112.3	N101 K102 V103 H107 L108 G109	N101-Q105 WeakPolarHBondContact O-CB 3.48Å; N101-Q105 VanDerWaalsContact O-CG 3.25Å; N101-Q105 WeakPolarHBondContact O-CG 3.35Å; N101-Q105 PolarHBondContact O-N 2.8Å; K102-Q105 PolarHBondContact O-N 3.22Å; V103-Q105 VanDerWaalsContact C-N 3.32Å; V103-Q105 PolarHBondContact O-N 3.08Å; Q105-H107 VanDerWaalsContact C-N 3.34Å; Q105-L108 PolarHBondContact O-N 3.23Å; Q105-G109 PolarHBondContact O-N 2.88Å
106	L	95.7	Very high	96	Very high	133 Å²	133	99 Å²	99	70%	0.696	51%	0.507	S	S	*	.	H	α-helix	trans	-64.6	-38.9	175.6	-71.9	173.5	0	0	0	111.8	K102 V103 G109 L110	K102-L106 WeakPolarHBondContact O-CG 3.46Å; K102-L106 PolarHBondContact O-N 3.44Å; V103-L106 PolarHBondContact O-N 2.99Å; L106-G109 PolarHBondContact O-N 3.47Å; L106-L110 PolarHBondContact O-N 3.42Å
107	H	96.4	Very high	96.1	Very high	100 Å²	100	98.3 Å²	98.3	46%	0.463	50%	0.502	S	S	.	.	H	α-helix	trans	-66.8	-40.6	177.3	-178.1	-92.5	0	0	0	111.7	V103 D104 Q105 G109 L110 Q111	V103-H107 WeakPolarHBondContact O-CB 3.25Å; V103-H107 PolarHBondContact O-N 3.45Å; D104-H107 PolarHBondContact O-N 3.45Å; Q105-H107 VanDerWaalsContact C-N 3.34Å; H107-G109 VanDerWaalsContact C-N 3.3Å; H107-G109 PolarHBondContact O-N 3.25Å; H107-L110 WeakPolarHBondContact O-CB 3.37Å; H107-L110 PolarHBondContact O-N 2.92Å; H107-Q111 PolarHBondContact NE2-NE2 3.34Å; H107-Q111 WeakPolarHBondContact O-CG 3.49Å; H107-Q111 PolarHBondContact O-N 3.4Å
108	L	96	Very high	96	Very high	108 Å²	108	98 Å²	98	57%	0.565	50%	0.5	S	S	*	.	H	α-helix	trans	-61.2	-41.1	171.8	-176.2	64.3	0	0	0	111.4	D104 Q105 Q111 N112	D104-L108 WeakPolarHBondContact O-CB 3.47Å; D104-L108 PolarHBondContact O-N 2.93Å; Q105-L108 PolarHBondContact O-N 3.23Å; L108-Q111 PolarHBondContact O-N 3.35Å; L108-N112 VanDerWaalsContact O-CG 3.3Å; L108-N112 PolarHBondContact O-N 2.9Å; L108-N112 PolarHBondContact O-ND2 2.91Å
109	G	96	Very high	96.1	Very high	31 Å²	31	97.8 Å²	97.8	32%	0.32	50%	0.499	S	S	.	.	H	α-helix	trans	-59.4	-44.2	172.6	0	0	0	0	0	112.8	Q105 L106 H107 N112 L113	Q105-G109 PolarHBondContact O-N 2.88Å; L106-G109 PolarHBondContact O-N 3.47Å; H107-G109 VanDerWaalsContact C-N 3.3Å; H107-G109 PolarHBondContact O-N 3.25Å; G109-N112 PolarHBondContact O-N 3.01Å; G109-L113 WeakPolarHBondContact O-CG 3.34Å; G109-L113 PolarHBondContact O-N 3.25Å; G109-L113 VanDerWaalsContact O-N 3.09Å
110	L	96.2	Very high	96.2	Very high	89 Å²	89	97.8 Å²	97.8	47%	0.466	50%	0.498	S	S	.	.	H	α-helix	trans	-62.3	-43.7	175.8	179.4	64.6	0	0	0	112.1	L106 H107 N112 L113 L114	L106-L110 PolarHBondContact O-N 3.42Å; H107-L110 WeakPolarHBondContact O-CB 3.37Å; H107-L110 PolarHBondContact O-N 2.92Å; L110-N112 VanDerWaalsContact C-N 3.35Å; L110-N112 PolarHBondContact O-N 3.29Å; L110-L113 PolarHBondContact O-N 3.09Å; L110-L114 HydrophobicContact CD1-CG 4.44Å; L110-L114 HydrophobicContact CG-CD1 4.28Å; L110-L114 WeakPolarHBondContact O-CG 3.37Å; L110-L114 PolarHBondContact O-N 3.36Å
111	Q	96.4	Very high	96.2	Very high	91 Å²	91	97.5 Å²	97.5	43%	0.425	50%	0.499	S	S	.	.	H	α-helix	trans	-63.2	-40.2	178.3	-70.9	-67	-25.3	0	0	112.1	H107 L108 L114 Y115	H107-Q111 PolarHBondContact NE2-NE2 3.34Å; H107-Q111 WeakPolarHBondContact O-CG 3.49Å; H107-Q111 PolarHBondContact O-N 3.4Å; L108-Q111 PolarHBondContact O-N 3.35Å; Q111-L114 PolarHBondContact O-N 3.48Å; Q111-Y115 PolarHBondContact O-N 3.05Å
112	N	96.4	Very high	96.1	Very high	103 Å²	103	98.3 Å²	98.3	55%	0.551	50%	0.503	S	S	*	.	H	α-helix	trans	-61.7	-43.8	174.1	-68.2	-18.5	0	0	0	111.6	L108 G109 L110 Y115 E116	L108-N112 VanDerWaalsContact O-CG 3.3Å; L108-N112 PolarHBondContact O-N 2.9Å; L108-N112 PolarHBondContact O-ND2 2.91Å; G109-N112 PolarHBondContact O-N 3.01Å; L110-N112 VanDerWaalsContact C-N 3.35Å; L110-N112 PolarHBondContact O-N 3.29Å; N112-Y115 PolarHBondContact O-N 3.46Å; N112-E116 PolarHBondContact O-N 3.41Å
113	L	96.1	Very high	96.1	Very high	102 Å²	102	98.6 Å²	98.6	53%	0.534	51%	0.506	S	S	.	.	H	α-helix	trans	-64.7	-39.2	176.6	-72.1	170.7	0	0	0	112.4	G109 L110 E116 V117	G109-L113 WeakPolarHBondContact O-CG 3.34Å; G109-L113 PolarHBondContact O-N 3.25Å; G109-L113 VanDerWaalsContact O-N 3.09Å; L110-L113 PolarHBondContact O-N 3.09Å; L113-E116 PolarHBondContact O-N 3.4Å; L113-V117 WeakPolarHBondContact O-CG2 3.28Å; L113-V117 PolarHBondContact O-N 3Å
114	L	97.2	Very high	96	Very high	93 Å²	93	99 Å²	99	49%	0.487	50%	0.504	S	S	.	.	H	α-helix	trans	-65.4	-39.5	176.3	-71.8	175.6	0	0	0	112	L110 Q111 E116 V117 A118	L110-L114 HydrophobicContact CD1-CG 4.44Å; L110-L114 HydrophobicContact CG-CD1 4.28Å; L110-L114 WeakPolarHBondContact O-CG 3.37Å; L110-L114 PolarHBondContact O-N 3.36Å; Q111-L114 PolarHBondContact O-N 3.48Å; L114-E116 VanDerWaalsContact C-N 3.35Å; L114-V117 PolarHBondContact O-N 3.38Å; L114-A118 WeakPolarHBondContact O-CB 3.45Å; L114-A118 PolarHBondContact O-N 3.3Å
115	Y	97.1	Very high	95.9	Very high	171 Å²	171	99.7 Å²	99.7	67%	0.671	51%	0.505	S	S	*	.	H	α-helix	trans	-63.5	-41.7	173.4	-178.9	-92.1	0	0	0	111.6	Q111 N112 A118 H119	Q111-Y115 PolarHBondContact O-N 3.05Å; N112-Y115 PolarHBondContact O-N 3.46Å; Y115-A118 PolarHBondContact O-N 3Å; Y115-H119 WeakPolarHBondContact O-CB 3.42Å; Y115-H119 PolarHBondContact O-N 2.98Å
116	E	96.4	Very high	95.7	Very high	109 Å²	109	97.1 Å²	97.1	51%	0.509	50%	0.499	S	S	.	.	H	α-helix	trans	-61.4	-46.1	175.6	-174.6	176.8	-177.2	0	0	111.6	N112 L113 L114 H119 L120	N112-E116 PolarHBondContact O-N 3.41Å; L113-E116 PolarHBondContact O-N 3.4Å; L114-E116 VanDerWaalsContact C-N 3.35Å; E116-H119 PolarHBondContact O-N 2.95Å; E116-L120 HydrophobicContact CG-CD1 4.09Å; E116-L120 WeakPolarHBondContact O-CB 3.37Å; E116-L120 VanDerWaalsContact O-CG 3.28Å; E116-L120 WeakPolarHBondContact O-CG 3.46Å; E116-L120 PolarHBondContact O-N 3.23Å
117	V	96.4	Very high	95.5	Very high	73 Å²	73	94.8 Å²	94.8	44%	0.442	49%	0.493	S	S	.	.	H	α-helix	trans	-60.3	-48.5	175.7	171.9	0	0	0	0	111	L113 L114 H119 L120 E121	L113-V117 WeakPolarHBondContact O-CG2 3.28Å; L113-V117 PolarHBondContact O-N 3Å; L114-V117 PolarHBondContact O-N 3.38Å; V117-H119 VanDerWaalsContact C-N 3.31Å; V117-H119 PolarHBondContact O-N 2.84Å; V117-L120 PolarHBondContact O-N 3.45Å; V117-E121 HydrophobicContact CG1-CG 4.31Å; V117-E121 WeakPolarHBondContact O-CB 3.33Å; V117-E121 WeakPolarHBondContact O-CG 3.47Å; V117-E121 PolarHBondContact O-N 2.89Å
118	A	95.2	Very high	95.1	Very high	43 Å²	43	96.2 Å²	96.2	36%	0.355	50%	0.503	S	S	.	.	H	α-helix	trans	-63.1	-36.6	178.9	0	0	0	0	0	112.5	L114 Y115 N122	L114-A118 WeakPolarHBondContact O-CB 3.45Å; L114-A118 PolarHBondContact O-N 3.3Å; Y115-A118 PolarHBondContact O-N 3Å; A118-N122 WeakPolarHBondContact O-CB 3.45Å; A118-N122 VanDerWaalsContact O-CG 3.29Å; A118-N122 PolarHBondContact O-N 2.84Å; A118-N122 VanDerWaalsContact O-N 3.09Å; A118-N122 PolarHBondContact O-ND2 2.87Å
119	H	96	Very high	94.8	Very high	98 Å²	98	97 Å²	97	45%	0.454	50%	0.504	S	S	.	.	H	α-helix	trans	-64.7	-47.7	174.2	-178.9	-78.6	0	0	0	111.2	Y115 E116 V117 N122 E123	Y115-H119 WeakPolarHBondContact O-CB 3.42Å; Y115-H119 PolarHBondContact O-N 2.98Å; E116-H119 PolarHBondContact O-N 2.95Å; V117-H119 VanDerWaalsContact C-N 3.31Å; V117-H119 PolarHBondContact O-N 2.84Å; H119-N122 PolarHBondContact O-N 3.4Å; H119-E123 IonicContact CE1-OE2 2.86Å; H119-E123 IonicContact ND1-OE2 3.47Å; H119-E123 WeakPolarHBondContact O-CB 3.48Å; H119-E123 PolarHBondContact O-N 3.42Å
120	L	96.2	Very high	94.4	Very high	81 Å²	81	103 Å²	103	42%	0.424	52%	0.521	S	S	.	.	H	α-helix	trans	-64.2	-39.6	178.3	-70.7	172.4	0	0	0	112.1	E116 V117 E123 I124	E116-L120 HydrophobicContact CG-CD1 4.09Å; E116-L120 WeakPolarHBondContact O-CB 3.37Å; E116-L120 VanDerWaalsContact O-CG 3.28Å; E116-L120 WeakPolarHBondContact O-CG 3.46Å; E116-L120 PolarHBondContact O-N 3.23Å; V117-L120 PolarHBondContact O-N 3.45Å; L120-E123 PolarHBondContact O-N 2.84Å; L120-I124 WeakPolarHBondContact O-CB 3.41Å; L120-I124 WeakPolarHBondContact O-CD1 3.4Å; L120-I124 WeakPolarHBondContact O-CG1 3.46Å; L120-I124 PolarHBondContact O-N 3.32Å
121	E	95.9	Very high	93.7	Very high	126 Å²	126	108.4 Å²	108.4	59%	0.589	54%	0.536	S	S	*	.	H	α-helix	trans	-62	-44.2	174.8	-76.3	179	167.2	0	0	111.7	V117 I124 Q125	V117-E121 HydrophobicContact CG1-CG 4.31Å; V117-E121 WeakPolarHBondContact O-CB 3.33Å; V117-E121 WeakPolarHBondContact O-CG 3.47Å; V117-E121 PolarHBondContact O-N 2.89Å; E121-I124 PolarHBondContact O-N 2.9Å; E121-Q125 WeakPolarHBondContact O-CB 3.37Å; E121-Q125 PolarHBondContact O-N 3.47Å
122	N	94.7	Very high	92.9	Very high	110 Å²	110	105 Å²	105	59%	0.588	52%	0.522	S	S	*	.	H	α-helix	trans	-63.6	-42.3	174.9	-74.2	-38.2	0	0	0	111.7	A118 H119 Q125 T126	A118-N122 WeakPolarHBondContact O-CB 3.45Å; A118-N122 VanDerWaalsContact O-CG 3.29Å; A118-N122 PolarHBondContact O-N 2.84Å; A118-N122 VanDerWaalsContact O-N 3.09Å; A118-N122 PolarHBondContact O-ND2 2.87Å; H119-N122 PolarHBondContact O-N 3.4Å; N122-Q125 PolarHBondContact O-N 2.93Å; N122-T126 WeakPolarHBondContact O-CG2 3.19Å; N122-T126 PolarHBondContact O-N 3.29Å; N122-T126 PolarHBondContact O-OG1 2.9Å
123	E	95.6	Very high	92.1	Very high	98 Å²	98	110.7 Å²	110.7	46%	0.458	54%	0.536	S	S	.	.	H	α-helix	trans	-62.6	-45.9	176.9	-171	172.6	-177.3	0	0	111	H119 L120 Q125 T126 C127	H119-E123 IonicContact CE1-OE2 2.86Å; H119-E123 IonicContact ND1-OE2 3.47Å; H119-E123 WeakPolarHBondContact O-CB 3.48Å; H119-E123 PolarHBondContact O-N 3.42Å; L120-E123 PolarHBondContact O-N 2.84Å; E123-Q125 VanDerWaalsContact C-N 3.33Å; E123-Q125 PolarHBondContact O-N 3.09Å; E123-T126 WeakPolarHBondContact CA-OG1 3.34Å; E123-T126 PolarHBondContact O-N 3.46Å; E123-T126 PolarHBondContact O-OG1 3.17Å; E123-C127 PolarHBondContact O-N 2.87Å; E123-C127 PolarHBondContact O-SG 3.35Å
124	I	94.3	Very high	91.4	Very high	99 Å²	99	109.1 Å²	109.1	51%	0.508	53%	0.526	S	S	.	.	H	α-helix	trans	-58.3	-45.3	174.2	-70.2	164.1	0	0	0	110.7	L120 E121 T126 C127 L128	L120-I124 WeakPolarHBondContact O-CB 3.41Å; L120-I124 WeakPolarHBondContact O-CD1 3.4Å; L120-I124 WeakPolarHBondContact O-CG1 3.46Å; L120-I124 PolarHBondContact O-N 3.32Å; E121-I124 PolarHBondContact O-N 2.9Å; I124-T126 VanDerWaalsContact C-N 3.34Å; I124-T126 PolarHBondContact O-N 3.48Å; I124-C127 WeakPolarHBondContact O-CB 3.37Å; I124-C127 PolarHBondContact O-N 3.41Å; I124-C127 VanDerWaalsContact O-N 3.14Å; I124-L128 HydrophobicContact CG2-CD1 3.93Å; I124-L128 HydrophobicContact CG2-CG 4.29Å; I124-L128 WeakPolarHBondContact O-CG 3.35Å; I124-L128 PolarHBondContact O-N 3.44Å
125	Q	94.5	Very high	90.4	Very high	96 Å²	96	109.8 Å²	109.8	45%	0.449	53%	0.526	S	S	.	.	H	α-helix	trans	-60	-44.4	177.6	-176.9	62.4	20.8	0	0	111.2	E121 N122 E123 C127 L128 E129	E121-Q125 WeakPolarHBondContact O-CB 3.37Å; E121-Q125 PolarHBondContact O-N 3.47Å; N122-Q125 PolarHBondContact O-N 2.93Å; E123-Q125 VanDerWaalsContact C-N 3.33Å; E123-Q125 PolarHBondContact O-N 3.09Å; Q125-C127 VanDerWaalsContact C-N 3.31Å; Q125-C127 PolarHBondContact O-N 3.14Å; Q125-L128 PolarHBondContact O-N 3.18Å; Q125-E129 WeakPolarHBondContact CG-OE1 3.45Å; Q125-E129 PolarHBondContact NE2-OE1 3.33Å; Q125-E129 WeakPolarHBondContact O-CB 3.5Å; Q125-E129 WeakPolarHBondContact O-CG 3.49Å; Q125-E129 PolarHBondContact O-N 2.68Å
126	T	92	Very high	89.6	Confident	86 Å²	86	108 Å²	108	53%	0.528	53%	0.529	S	S	.	.	H	α-helix	trans	-63.8	-35.4	175.2	61.5	0	0	0	0	112.8	N122 E123 I124 F130	N122-T126 WeakPolarHBondContact O-CG2 3.19Å; N122-T126 PolarHBondContact O-N 3.29Å; N122-T126 PolarHBondContact O-OG1 2.9Å; E123-T126 WeakPolarHBondContact CA-OG1 3.34Å; E123-T126 PolarHBondContact O-N 3.46Å; E123-T126 PolarHBondContact O-OG1 3.17Å; I124-T126 VanDerWaalsContact C-N 3.34Å; I124-T126 PolarHBondContact O-N 3.48Å; T126-F130 PolarHBondContact O-N 2.91Å
127	C	91.2	Very high	88.8	Confident	84 Å²	84	106 Å²	106	57%	0.568	52%	0.521	S	S	*	.	H	α-helix	trans	-68.2	-35.2	173.8	-66.6	0	0	0	0	112.4	E123 I124 Q125 F130	E123-C127 PolarHBondContact O-N 2.87Å; E123-C127 PolarHBondContact O-SG 3.35Å; I124-C127 WeakPolarHBondContact O-CB 3.37Å; I124-C127 PolarHBondContact O-N 3.41Å; I124-C127 VanDerWaalsContact O-N 3.14Å; Q125-C127 VanDerWaalsContact C-N 3.31Å; Q125-C127 PolarHBondContact O-N 3.14Å; C127-F130 WeakPolarHBondContact O-CB 3.45Å; C127-F130 PolarHBondContact O-N 2.9Å
128	L	88.5	Confident	88	Confident	130 Å²	130	112 Å²	112	68%	0.681	54%	0.541	S	S	*	.	H	α-helix	trans	-74.9	-30	176.8	-70.1	173.8	0	0	0	112.6	I124 Q125 F130	I124-L128 HydrophobicContact CG2-CD1 3.93Å; I124-L128 HydrophobicContact CG2-CG 4.29Å; I124-L128 WeakPolarHBondContact O-CG 3.35Å; I124-L128 PolarHBondContact O-N 3.44Å; Q125-L128 PolarHBondContact O-N 3.18Å; L128-F130 PolarHBondContact O-N 3.27Å
129	E	89.4	Confident	87	Confident	124 Å²	124	112.4 Å²	112.4	58%	0.579	54%	0.537	S	S	*	.	S	Bend	trans	-75.4	-11.9	175	-74.2	174.6	-170.6	0	0	113.3	Q125 R131	Q125-E129 WeakPolarHBondContact CG-OE1 3.45Å; Q125-E129 PolarHBondContact NE2-OE1 3.33Å; Q125-E129 WeakPolarHBondContact O-CB 3.5Å; Q125-E129 WeakPolarHBondContact O-CG 3.49Å; Q125-E129 PolarHBondContact O-N 2.68Å; E129-R131 PolarHBondContact O-N 2.72Å
130	F	86.9	Confident	86.2	Confident	156 Å²	156	109.9 Å²	109.9	68%	0.684	53%	0.526	S	S	*	.			trans	-63.4	99.5	174.9	179.9	-99.9	0	0	0	110.4	T126 C127 L128	T126-F130 PolarHBondContact O-N 2.91Å; C127-F130 WeakPolarHBondContact O-CB 3.45Å; C127-F130 PolarHBondContact O-N 2.9Å; L128-F130 PolarHBondContact O-N 3.27Å
131	R	81.6	Confident	85.5	Confident	203 Å²	203	109.3 Å²	109.3	77%	0.766	53%	0.527	S	S	*	.			trans	-87.1	128.9	169.9	-66.1	-160.8	-175.9	178.3	0.3	110.7	E129	E129-R131 PolarHBondContact O-N 2.72Å
132	S	79.7	Confident	84.8	Confident	21 Å²	21	105.8 Å²	105.8	15%	0.147	51%	0.514	C	S	.	.			trans	-90.9	144	-179.5	65.7	0	0	0	0	110.4	H134 E135	S132-H134 WeakPolarHBondContact CB-ND1 3.24Å; S132-H134 PolarHBondContact O-N 3.02Å; S132-H134 PolarHBondContact OG-CE1 2.96Å; S132-H134 PolarHBondContact OG-ND1 3.03Å; S132-H134 PolarHBondContact OG-NE2 3.49Å; S132-E135 PolarHBondContact N-OE1 3.16Å; S132-E135 PolarHBondContact O-N 2.93Å; S132-E135 VanDerWaalsContact O-N 3.1Å; S132-E135 PolarHBondContact OG-OE1 3.41Å
133	R	79.9	Confident	84	Confident	221 Å²	221	107.7 Å²	107.7	83%	0.834	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-16.3	-177.1	-70.7	-177.4	-178.4	170.2	0.7	114.5	E135 I137	R133-E135 VanDerWaalsContact C-N 3.31Å; R133-I137 WeakPolarHBondContact O-CG1 3.39Å
134	H	80.5	Confident	83.3	Confident	70 Å²	70	106.7 Å²	106.7	32%	0.324	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-20.7	179.9	68.2	-99.1	0	0	0	113	S132 D136 I137 L166	S132-H134 WeakPolarHBondContact CB-ND1 3.24Å; S132-H134 PolarHBondContact O-N 3.02Å; S132-H134 PolarHBondContact OG-CE1 2.96Å; S132-H134 PolarHBondContact OG-ND1 3.03Å; S132-H134 PolarHBondContact OG-NE2 3.49Å; H134-D136 VanDerWaalsContact C-N 3.3Å; H134-D136 PolarHBondContact O-N 2.78Å; H134-I137 PolarHBondContact O-N 2.88Å; H134-L166 HydrophobicContact CB-CD1 3.83Å; H134-L166 HydrophobicContact CB-CD2 4.29Å
135	E	76.5	Confident	82.7	Confident	106 Å²	106	102.3 Å²	102.3	50%	0.495	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-30.3	176.6	-68.8	161.6	-131.4	0	0	112.4	S132 R133 I137	S132-E135 PolarHBondContact N-OE1 3.16Å; S132-E135 PolarHBondContact O-N 2.93Å; S132-E135 VanDerWaalsContact O-N 3.1Å; S132-E135 PolarHBondContact OG-OE1 3.41Å; R133-E135 VanDerWaalsContact C-N 3.31Å; E135-I137 VanDerWaalsContact C-N 3.34Å
136	D	79.8	Confident	82.2	Confident	135 Å²	135	100.8 Å²	100.8	72%	0.722	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-17.3	179	-64.8	-33.3	0	0	0	112.9	H134	H134-D136 VanDerWaalsContact C-N 3.3Å; H134-D136 PolarHBondContact O-N 2.78Å
137	I	80.7	Confident	81.7	Confident	66 Å²	66	104.1 Å²	104.1	34%	0.338	49%	0.492	S	S	.	.	S	Bend	trans	-84.6	120.6	-175.2	-58.8	171.3	0	0	0	108.8	R133 H134 E135 L139	R133-I137 WeakPolarHBondContact O-CG1 3.39Å; H134-I137 PolarHBondContact O-N 2.88Å; E135-I137 VanDerWaalsContact C-N 3.34Å; I137-L139 VanDerWaalsContact C-N 3.33Å; I137-L139 PolarHBondContact O-N 3.02Å
138	K	78.4	Confident	80.9	Confident	199 Å²	199	105.7 Å²	105.7	87%	0.865	49%	0.49	S	S	*	.			trans	-68	91.7	171.3	-66	-177.5	-178.2	-179.9	0	109.8
139	L	75.5	Confident	80.3	Confident	52 Å²	52	101.2 Å²	101.2	27%	0.272	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-67	152	174.6	-70.4	131.8	0	0	0	110.6	I137 R165 L166	I137-L139 VanDerWaalsContact C-N 3.33Å; I137-L139 PolarHBondContact O-N 3.02Å; L139-R165 HydrophobicContact CD2-CB 3.94Å; L139-L166 HydrophobicContact CD2-CD2 3.83Å; L139-L166 HydrophobicContact CD2-CG 4.06Å
140	I	78.9	Confident	79.4	Confident	44 Å²	44	98.5 Å²	98.5	23%	0.226	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-63.9	140.8	174.7	-72.7	163.8	0	0	0	109.4	V142 E144 W168	I140-V142 PolarHBondContact O-N 2.86Å; I140-E144 HydrophobicContact CG2-CB 3.5Å; I140-E144 VanDerWaalsContact CG2-CB 3.5Å; I140-E144 HydrophobicContact CG2-CG 4.47Å; I140-W168 HydrophobicContact CB-CZ3 4.46Å; I140-W168 HydrophobicContact CD1-CE3 4.42Å; I140-W168 HydrophobicContact CD1-CH2 4.01Å; I140-W168 HydrophobicContact CD1-CZ3 3.4Å; I140-W168 VanDerWaalsContact CD1-CZ3 3.4Å; I140-W168 HydrophobicContact CG1-CZ3 4.49Å; I140-W168 HydrophobicContact CG2-CZ3 4.4Å
141	P	81.9	Confident	78.4	Confident	69 Å²	69	99.5 Å²	99.5	45%	0.448	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-51	142.4	177	-27.2	34.4	0	0	0	111.6	E143 E144 F145	P141-E143 PolarHBondContact O-N 3.27Å; P141-E143 VanDerWaalsContact O-N 3.15Å; P141-E144 HydrophobicContact CB-CG 4.45Å; P141-E144 HydrophobicContact CG-CG 4.5Å; P141-E144 PolarHBondContact O-N 2.91Å; P141-E144 VanDerWaalsContact O-N 3.08Å; P141-F145 PolarHBondContact O-N 3.37Å
142	V	79.7	Confident	77.5	Confident	52 Å²	52	100.6 Å²	100.6	32%	0.315	48%	0.476	S	S	.	.	H	α-helix	trans	-55	-37.1	-178.3	177.7	0	0	0	0	111.4	I140 F145 Y146	I140-V142 PolarHBondContact O-N 2.86Å; V142-F145 PolarHBondContact O-N 2.73Å; V142-Y146 HydrophobicContact CG1-CD2 3.69Å; V142-Y146 HydrophobicContact CG1-CE2 3.14Å; V142-Y146 VanDerWaalsContact O-CD2 3.24Å; V142-Y146 WeakPolarHBondContact O-CD2 3.41Å; V142-Y146 PolarHBondContact O-N 3.47Å
143	E	78.3	Confident	76.5	Confident	150 Å²	150	100.3 Å²	100.3	70%	0.701	47%	0.474	S	S	*	.	H	α-helix	trans	-60.1	-53.4	176.5	-62.2	172	-177.8	0	0	111.4	P141 F145 Y146 E147	P141-E143 PolarHBondContact O-N 3.27Å; P141-E143 VanDerWaalsContact O-N 3.15Å; E143-F145 VanDerWaalsContact C-N 3.32Å; E143-F145 PolarHBondContact O-N 2.9Å; E143-Y146 PolarHBondContact O-N 3.02Å; E143-E147 WeakPolarHBondContact O-CG 3.49Å; E143-E147 PolarHBondContact O-N 3.35Å
144	E	80.5	Confident	75.5	Confident	78 Å²	78	93 Å²	93	36%	0.364	47%	0.467	S	S	.	.	H	α-helix	trans	-63.3	-36.2	177.7	-75.4	-167.9	-147.3	0	0	112.8	I140 P141 K148	I140-E144 HydrophobicContact CG2-CB 3.5Å; I140-E144 VanDerWaalsContact CG2-CB 3.5Å; I140-E144 HydrophobicContact CG2-CG 4.47Å; P141-E144 HydrophobicContact CB-CG 4.45Å; P141-E144 HydrophobicContact CG-CG 4.5Å; P141-E144 PolarHBondContact O-N 2.91Å; P141-E144 VanDerWaalsContact O-N 3.08Å; E144-K148 VanDerWaalsContact O-CB 3.31Å; E144-K148 WeakPolarHBondContact O-CB 3.44Å; E144-K148 VanDerWaalsContact O-CG 3.25Å; E144-K148 WeakPolarHBondContact O-CG 3.38Å; E144-K148 PolarHBondContact O-N 2.96Å; E144-K148 IonicContact OE2-NZ 3.01Å; E144-K148 PolarHBondContact OE2-NZ 2.94Å
145	F	83	Confident	74.3	Confident	7 Å²	7	95.7 Å²	95.7	3%	0.031	49%	0.494	C	S	.	.	H	α-helix	trans	-63.6	-44.9	175.8	171.9	-101.1	0	0	0	111.1	P141 V142 E143 K148 T149 V153 E164 R165 W168	P141-F145 PolarHBondContact O-N 3.37Å; V142-F145 PolarHBondContact O-N 2.73Å; E143-F145 VanDerWaalsContact C-N 3.32Å; E143-F145 PolarHBondContact O-N 2.9Å; F145-K148 PolarHBondContact O-N 2.95Å; F145-T149 HydrophobicContact CD2-CG2 3.82Å; F145-T149 HydrophobicContact CE2-CG2 3.53Å; F145-T149 HydrophobicContact CG-CG2 4.49Å; F145-T149 HydrophobicContact CZ-CG2 3.98Å; F145-T149 WeakPolarHBondContact O-CB 3.16Å; F145-T149 WeakPolarHBondContact O-CG2 3.28Å; F145-T149 PolarHBondContact O-N 3.19Å; F145-T149 PolarHBondContact O-OG1 2.98Å; F145-V153 HydrophobicContact CE1-CG2 4.22Å; F145-E164 HydrophobicContact CZ-CB 4.24Å; F145-R165 HydrophobicContact CB-CG 4.48Å; F145-R165 HydrophobicContact CD1-CG 3.91Å; F145-R165 HydrophobicContact CD2-CB 4.49Å; F145-R165 HydrophobicContact CD2-CG 3.86Å; F145-R165 HydrophobicContact CE1-CG 4.05Å; F145-R165 HydrophobicContact CE2-CB 4.45Å; F145-R165 HydrophobicContact CE2-CG 3.99Å; F145-R165 HydrophobicContact CG-CG 3.81Å; F145-R165 HydrophobicContact CZ-CG 4.08Å; F145-W168 HydrophobicContact CD2-CB 4.41Å; F145-W168 HydrophobicContact CD2-CD2 4.07Å; F145-W168 AromaticContact CD2-CE3 3.86Å; F145-W168 HydrophobicContact CD2-CE3 3.86Å; F145-W168 HydrophobicContact CD2-CG 4.3Å; F145-W168 HydrophobicContact CD2-CZ3 4.46Å; F145-W168 HydrophobicContact CE2-CB 3.73Å; F145-W168 HydrophobicContact CE2-CD2 4.19Å; F145-W168 HydrophobicContact CE2-CE3 4.32Å; F145-W168 AromaticContact CE2-CG 3.93Å; F145-W168 HydrophobicContact CE2-CG 3.93Å
146	Y	82.9	Confident	73.6	Confident	63 Å²	63	95.2 Å²	95.2	25%	0.247	49%	0.494	C	S	.	.	H	α-helix	trans	-68.1	-37.9	177.7	-68.2	-35.6	0	0	0	112.5	V142 E143 G150 R151 V153 E161	V142-Y146 HydrophobicContact CG1-CD2 3.69Å; V142-Y146 HydrophobicContact CG1-CE2 3.14Å; V142-Y146 VanDerWaalsContact O-CD2 3.24Å; V142-Y146 WeakPolarHBondContact O-CD2 3.41Å; V142-Y146 PolarHBondContact O-N 3.47Å; E143-Y146 PolarHBondContact O-N 3.02Å; Y146-G150 WeakPolarHBondContact O-CA 3.46Å; Y146-G150 PolarHBondContact O-N 3.08Å; Y146-R151 WeakPolarHBondContact CD1-O 3.45Å; Y146-V153 HydrophobicContact CE1-CG2 4.45Å; Y146-E161 PolarHBondContact OH-OE1 3.1Å
147	E	81.3	Confident	73.4	Confident	157 Å²	157	93 Å²	93	73%	0.734	49%	0.489	S	S	*	.	H	α-helix	trans	-62.1	-45.4	174.3	-74.7	-179.6	177.3	0	0	111.9	E143	E143-E147 WeakPolarHBondContact O-CG 3.49Å; E143-E147 PolarHBondContact O-N 3.35Å
148	K	75.6	Confident	73.4	Confident	117 Å²	117	97.2 Å²	97.2	51%	0.509	51%	0.507	S	S	.	.	H	α-helix	trans	-78.5	-32.5	-175.4	-69.8	171.7	-177.9	161	0	113.5	E144 F145 W168	E144-K148 VanDerWaalsContact O-CB 3.31Å; E144-K148 WeakPolarHBondContact O-CB 3.44Å; E144-K148 VanDerWaalsContact O-CG 3.25Å; E144-K148 WeakPolarHBondContact O-CG 3.38Å; E144-K148 PolarHBondContact O-N 2.96Å; E144-K148 IonicContact OE2-NZ 3.01Å; E144-K148 PolarHBondContact OE2-NZ 2.94Å; F145-K148 PolarHBondContact O-N 2.95Å; K148-W168 HydrophobicContact CB-CH2 4.11Å; K148-W168 HydrophobicContact CB-CZ2 3.71Å; K148-W168 HydrophobicContact CD-CH2 3.58Å; K148-W168 HydrophobicContact CD-CZ2 3.93Å; K148-W168 HydrophobicContact CG-CH2 4.47Å; K148-W168 HydrophobicContact CG-CZ2 4.43Å
149	T	75	Confident	73.7	Confident	36 Å²	36	93.2 Å²	93.2	22%	0.221	49%	0.491	C	S	.	.	H	α-helix	trans	-93.6	-20.9	-179.2	61.7	0	0	0	0	113.8	F145 R151 W168	F145-T149 HydrophobicContact CD2-CG2 3.82Å; F145-T149 HydrophobicContact CE2-CG2 3.53Å; F145-T149 HydrophobicContact CG-CG2 4.49Å; F145-T149 HydrophobicContact CZ-CG2 3.98Å; F145-T149 WeakPolarHBondContact O-CB 3.16Å; F145-T149 WeakPolarHBondContact O-CG2 3.28Å; F145-T149 PolarHBondContact O-N 3.19Å; F145-T149 PolarHBondContact O-OG1 2.98Å; T149-R151 PolarHBondContact O-N 3.38Å; T149-R151 PolarHBondContact OG1-N 3.41Å; T149-W168 VanDerWaalsContact CG2-CD1 3.48Å; T149-W168 HydrophobicContact CG2-CD2 4.07Å; T149-W168 HydrophobicContact CG2-CG 3.83Å
150	G	70.4	Confident	74.1	Confident	67 Å²	67	93.9 Å²	93.9	69%	0.691	49%	0.493	S	S	*	.			trans	63.5	4	-172.3	0	0	0	0	0	114.4	Y146	Y146-G150 WeakPolarHBondContact O-CA 3.46Å; Y146-G150 PolarHBondContact O-N 3.08Å
151	R	66.7	Low	74.3	Confident	176 Å²	176	93.3 Å²	93.3	66%	0.664	49%	0.489	S	S	*	.			trans	-101.4	104.5	-177.8	-69.1	-174.7	-171	-163	3.3	109.8	Y146 T149 V153	Y146-R151 WeakPolarHBondContact CD1-O 3.45Å; T149-R151 PolarHBondContact O-N 3.38Å; T149-R151 PolarHBondContact OG1-N 3.41Å; R151-V153 PolarHBondContact O-N 3.15Å
152	R	61.6	Low	74.4	Confident	226 Å²	226	91.1 Å²	91.1	85%	0.853	48%	0.475	S	S	*	.			trans	-74.5	105	163.7	-69.3	-165.6	-166.9	-162.7	3.8	108.7	G154	R152-G154 PolarHBondContact O-N 3.23Å
153	V	59.2	Low	74.8	Confident	16 Å²	16	91.2 Å²	91.2	10%	0.097	47%	0.473	C	S	.	.			trans	-79.4	41.4	176.7	-164.4	0	0	0	0	110.1	F145 Y146 R151 S155 L156 E161	F145-V153 HydrophobicContact CE1-CG2 4.22Å; Y146-V153 HydrophobicContact CE1-CG2 4.45Å; R151-V153 PolarHBondContact O-N 3.15Å; V153-S155 PolarHBondContact O-N 3Å; V153-L156 HydrophobicContact CG1-CB 3.92Å; V153-L156 HydrophobicContact CG1-CD1 3.35Å; V153-L156 HydrophobicContact CG1-CG 4.16Å; V153-E161 HydrophobicContact CB-CG 4.19Å; V153-E161 HydrophobicContact CG1-CG 4.02Å; V153-E161 VanDerWaalsContact O-OE1 3.13Å
154	G	58.2	Low	75.1	Confident	67 Å²	67	87.2 Å²	87.2	69%	0.691	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	10.1	-166.2	0	0	0	0	0	117.1	R152	R152-G154 PolarHBondContact O-N 3.23Å
155	S	56.7	Low	75.4	Confident	126 Å²	126	85.4 Å²	85.4	88%	0.881	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134	6.9	-177.6	-59	0	0	0	0	114.2	V153	V153-S155 PolarHBondContact O-N 3Å
156	L	61.1	Low	75.7	Confident	97 Å²	97	87.1 Å²	87.1	51%	0.508	45%	0.454	S	S	.	.	S	Bend	trans	-109.3	150.5	-177.9	-67.5	151.2	0	0	0	110.3	V153 Q160	V153-L156 HydrophobicContact CG1-CB 3.92Å; V153-L156 HydrophobicContact CG1-CD1 3.35Å; V153-L156 HydrophobicContact CG1-CG 4.16Å; L156-Q160 HydrophobicContact CB-CB 3.86Å; L156-Q160 HydrophobicContact CB-CG 3.96Å; L156-Q160 HydrophobicContact CD1-CG 4.1Å; L156-Q160 HydrophobicContact CD2-CG 4.14Å; L156-Q160 HydrophobicContact CG-CG 4.27Å
157	S	76.7	Confident	76	Confident	87 Å²	87	89.6 Å²	89.6	61%	0.608	47%	0.467	S	S	*	.			trans	-49.2	144.3	175	177.5	0	0	0	0	110.8	H159 Q160 E161	S157-H159 PolarHBondContact O-N 2.96Å; S157-Q160 WeakPolarHBondContact O-CA 3.46Å; S157-Q160 WeakPolarHBondContact O-CB 3.41Å; S157-Q160 PolarHBondContact O-N 3.45Å; S157-E161 PolarHBondContact O-N 2.91Å; S157-E161 VanDerWaalsContact O-N 3.16Å
158	E	80.3	Confident	76.3	Confident	156 Å²	156	83.9 Å²	83.9	73%	0.729	44%	0.439	S	S	*	.	H	α-helix	trans	-47.1	-35.6	176.6	-178.1	179.8	-176.8	0	0	112.6	E161 T162	E158-E161 PolarHBondContact O-N 3.25Å; E158-T162 PolarHBondContact O-N 3.07Å; E158-T162 PolarHBondContact O-OG1 2.88Å
159	H	83.4	Confident	76.9	Confident	114 Å²	114	79.2 Å²	79.2	53%	0.528	42%	0.419	S	S	.	.	H	α-helix	trans	-60.6	-45.1	174.2	-177.8	63.4	0	0	0	112.7	S157 T162 L163	S157-H159 PolarHBondContact O-N 2.96Å; H159-T162 PolarHBondContact O-N 2.82Å; H159-L163 WeakPolarHBondContact NE2-CD1 3.28Å; H159-L163 WeakPolarHBondContact O-CG 3.32Å; H159-L163 PolarHBondContact O-N 3.44Å
160	Q	84.7	Confident	77.6	Confident	66 Å²	66	81.6 Å²	81.6	31%	0.308	43%	0.43	S	S	.	.	H	α-helix	trans	-68.9	-38.6	179.6	-171.7	67.8	19.9	0	0	111.3	L156 S157 T162 L163 E164	L156-Q160 HydrophobicContact CB-CB 3.86Å; L156-Q160 HydrophobicContact CB-CG 3.96Å; L156-Q160 HydrophobicContact CD1-CG 4.1Å; L156-Q160 HydrophobicContact CD2-CG 4.14Å; L156-Q160 HydrophobicContact CG-CG 4.27Å; S157-Q160 WeakPolarHBondContact O-CA 3.46Å; S157-Q160 WeakPolarHBondContact O-CB 3.41Å; S157-Q160 PolarHBondContact O-N 3.45Å; Q160-T162 VanDerWaalsContact C-N 3.26Å; Q160-T162 PolarHBondContact O-N 2.9Å; Q160-L163 PolarHBondContact O-N 3.28Å; Q160-E164 HydrophobicContact CG-CG 4.49Å; Q160-E164 PolarHBondContact NE2-OE1 2.69Å; Q160-E164 VanDerWaalsContact O-CG 3.32Å; Q160-E164 WeakPolarHBondContact O-CG 3.4Å; Q160-E164 PolarHBondContact O-N 3.41Å
161	E	82.7	Confident	78.6	Confident	32 Å²	32	84.5 Å²	84.5	15%	0.15	43%	0.425	C	S	.	.	H	α-helix	trans	-59.7	-41.4	173.1	-64.9	-160.1	148.4	0	0	111.6	Y146 V153 S157 E158 E164 R165	Y146-E161 PolarHBondContact OH-OE1 3.1Å; V153-E161 HydrophobicContact CB-CG 4.19Å; V153-E161 HydrophobicContact CG1-CG 4.02Å; V153-E161 VanDerWaalsContact O-OE1 3.13Å; S157-E161 PolarHBondContact O-N 2.91Å; S157-E161 VanDerWaalsContact O-N 3.16Å; E158-E161 PolarHBondContact O-N 3.25Å; E161-E164 PolarHBondContact O-N 3.38Å; E161-R165 WeakPolarHBondContact O-CB 3.47Å; E161-R165 VanDerWaalsContact O-CG 3.28Å; E161-R165 WeakPolarHBondContact O-CG 3.35Å; E161-R165 PolarHBondContact O-N 3.46Å; E161-R165 IonicContact OE2-NH2 2.79Å; E161-R165 PolarHBondContact OE2-NH2 2.93Å
162	T	84.9	Confident	79.7	Confident	24 Å²	24	79.6 Å²	79.6	15%	0.147	41%	0.41	C	S	.	.	H	α-helix	trans	-65.9	-41.3	177.8	-54.5	0	0	0	0	111.2	E158 H159 Q160 R165 L166	E158-T162 PolarHBondContact O-N 3.07Å; E158-T162 PolarHBondContact O-OG1 2.88Å; H159-T162 PolarHBondContact O-N 2.82Å; Q160-T162 VanDerWaalsContact C-N 3.26Å; Q160-T162 PolarHBondContact O-N 2.9Å; T162-R165 PolarHBondContact O-N 3.41Å; T162-L166 HydrophobicContact CG2-CD1 4.26Å; T162-L166 WeakPolarHBondContact O-CB 3.37Å; T162-L166 VanDerWaalsContact O-CG 3.28Å; T162-L166 WeakPolarHBondContact O-CG 3.25Å; T162-L166 PolarHBondContact O-N 2.78Å
163	L	87.1	Confident	81.2	Confident	53 Å²	53	75.7 Å²	75.7	28%	0.277	40%	0.396	S	S	.	.	H	α-helix	trans	-62	-46	174.1	-73	-179.6	0	0	0	112.4	H159 Q160 R165 L166 H167	H159-L163 WeakPolarHBondContact NE2-CD1 3.28Å; H159-L163 WeakPolarHBondContact O-CG 3.32Å; H159-L163 PolarHBondContact O-N 3.44Å; Q160-L163 PolarHBondContact O-N 3.28Å; L163-R165 VanDerWaalsContact C-N 3.33Å; L163-R165 PolarHBondContact O-N 3.06Å; L163-L166 PolarHBondContact O-N 2.89Å; L163-H167 WeakPolarHBondContact O-CB 3.31Å; L163-H167 PolarHBondContact O-CD2 3.45Å; L163-H167 PolarHBondContact O-N 2.96Å
164	E	85.2	Confident	82.9	Confident	66 Å²	66	81.1 Å²	81.1	31%	0.308	42%	0.418	S	S	.	.	H	α-helix	trans	-61.7	-41.7	177.1	-70.3	-69.3	163.4	0	0	111.3	F145 Q160 E161 H167 W168	F145-E164 HydrophobicContact CZ-CB 4.24Å; Q160-E164 HydrophobicContact CG-CG 4.49Å; Q160-E164 PolarHBondContact NE2-OE1 2.69Å; Q160-E164 VanDerWaalsContact O-CG 3.32Å; Q160-E164 WeakPolarHBondContact O-CG 3.4Å; Q160-E164 PolarHBondContact O-N 3.41Å; E161-E164 PolarHBondContact O-N 3.38Å; E164-H167 PolarHBondContact O-N 2.95Å; E164-W168 VanDerWaalsContact O-CB 3.3Å; E164-W168 WeakPolarHBondContact O-CB 3.25Å; E164-W168 PolarHBondContact O-N 3.46Å
165	R	86.2	Confident	84.7	Confident	41 Å²	41	80.4 Å²	80.4	16%	0.155	41%	0.405	C	S	.	.	H	α-helix	trans	-60.5	-46.2	173.5	-73.9	-179	-123	167.1	-1.4	111.8	L139 F145 E161 T162 L163 W168 E169	L139-R165 HydrophobicContact CD2-CB 3.94Å; F145-R165 HydrophobicContact CB-CG 4.48Å; F145-R165 HydrophobicContact CD1-CG 3.91Å; F145-R165 HydrophobicContact CD2-CB 4.49Å; F145-R165 HydrophobicContact CD2-CG 3.86Å; F145-R165 HydrophobicContact CE1-CG 4.05Å; F145-R165 HydrophobicContact CE2-CB 4.45Å; F145-R165 HydrophobicContact CE2-CG 3.99Å; F145-R165 HydrophobicContact CG-CG 3.81Å; F145-R165 HydrophobicContact CZ-CG 4.08Å; E161-R165 WeakPolarHBondContact O-CB 3.47Å; E161-R165 VanDerWaalsContact O-CG 3.28Å; E161-R165 WeakPolarHBondContact O-CG 3.35Å; E161-R165 PolarHBondContact O-N 3.46Å; E161-R165 IonicContact OE2-NH2 2.79Å; E161-R165 PolarHBondContact OE2-NH2 2.93Å; T162-R165 PolarHBondContact O-N 3.41Å; L163-R165 VanDerWaalsContact C-N 3.33Å; L163-R165 PolarHBondContact O-N 3.06Å; R165-W168 PolarHBondContact O-N 2.91Å; R165-E169 WeakPolarHBondContact O-CB 3.3Å; R165-E169 PolarHBondContact O-N 3.12Å
166	L	88.8	Confident	86.4	Confident	42 Å²	42	79.6 Å²	79.6	22%	0.22	39%	0.39	C	S	.	.	H	α-helix	trans	-64.2	-42.5	177.6	-74.2	169.8	0	0	0	112.4	H134 L139 T162 L163 E169 L170	H134-L166 HydrophobicContact CB-CD1 3.83Å; H134-L166 HydrophobicContact CB-CD2 4.29Å; L139-L166 HydrophobicContact CD2-CD2 3.83Å; L139-L166 HydrophobicContact CD2-CG 4.06Å; T162-L166 HydrophobicContact CG2-CD1 4.26Å; T162-L166 WeakPolarHBondContact O-CB 3.37Å; T162-L166 VanDerWaalsContact O-CG 3.28Å; T162-L166 WeakPolarHBondContact O-CG 3.25Å; T162-L166 PolarHBondContact O-N 2.78Å; L163-L166 PolarHBondContact O-N 2.89Å; L166-E169 PolarHBondContact O-N 2.66Å; L166-L170 VanDerWaalsContact O-CB 3.25Å; L166-L170 WeakPolarHBondContact O-CB 3.36Å; L166-L170 PolarHBondContact O-N 2.84Å
167	H	89.8	Confident	88.1	Confident	115 Å²	115	77.8 Å²	77.8	53%	0.532	39%	0.386	S	S	.	.	H	α-helix	trans	-63.5	-46	177.2	-80.9	-58	0	0	0	111.4	L163 E164 L170 E171	L163-H167 WeakPolarHBondContact O-CB 3.31Å; L163-H167 PolarHBondContact O-CD2 3.45Å; L163-H167 PolarHBondContact O-N 2.96Å; E164-H167 PolarHBondContact O-N 2.95Å; H167-L170 PolarHBondContact O-N 3.47Å; H167-E171 WeakPolarHBondContact O-CB 3.49Å; H167-E171 PolarHBondContact O-N 3.18Å
168	W	88	Confident	89	Confident	37 Å²	37	78 Å²	78	14%	0.14	38%	0.381	C	S	.	.	H	α-helix	trans	-63.4	-45.2	176.9	-179.7	79.2	0	0	0	111.6	I140 F145 K148 T149 E164 R165 L170 E171 Q172	I140-W168 HydrophobicContact CB-CZ3 4.46Å; I140-W168 HydrophobicContact CD1-CE3 4.42Å; I140-W168 HydrophobicContact CD1-CH2 4.01Å; I140-W168 HydrophobicContact CD1-CZ3 3.4Å; I140-W168 VanDerWaalsContact CD1-CZ3 3.4Å; I140-W168 HydrophobicContact CG1-CZ3 4.49Å; I140-W168 HydrophobicContact CG2-CZ3 4.4Å; F145-W168 HydrophobicContact CD2-CB 4.41Å; F145-W168 HydrophobicContact CD2-CD2 4.07Å; F145-W168 AromaticContact CD2-CE3 3.86Å; F145-W168 HydrophobicContact CD2-CE3 3.86Å; F145-W168 HydrophobicContact CD2-CG 4.3Å; F145-W168 HydrophobicContact CD2-CZ3 4.46Å; F145-W168 HydrophobicContact CE2-CB 3.73Å; F145-W168 HydrophobicContact CE2-CD2 4.19Å; F145-W168 HydrophobicContact CE2-CE3 4.32Å; F145-W168 AromaticContact CE2-CG 3.93Å; F145-W168 HydrophobicContact CE2-CG 3.93Å; K148-W168 HydrophobicContact CB-CH2 4.11Å; K148-W168 HydrophobicContact CB-CZ2 3.71Å; K148-W168 HydrophobicContact CD-CH2 3.58Å; K148-W168 HydrophobicContact CD-CZ2 3.93Å; K148-W168 HydrophobicContact CG-CH2 4.47Å; K148-W168 HydrophobicContact CG-CZ2 4.43Å; T149-W168 VanDerWaalsContact CG2-CD1 3.48Å; T149-W168 HydrophobicContact CG2-CD2 4.07Å; T149-W168 HydrophobicContact CG2-CG 3.83Å; E164-W168 VanDerWaalsContact O-CB 3.3Å; E164-W168 WeakPolarHBondContact O-CB 3.25Å; E164-W168 PolarHBondContact O-N 3.46Å; R165-W168 PolarHBondContact O-N 2.91Å; W168-L170 VanDerWaalsContact C-N 3.32Å; W168-L170 PolarHBondContact O-N 3.43Å; W168-E171 WeakPolarHBondContact O-CB 3.5Å; W168-E171 PolarHBondContact O-N 2.95Å; W168-Q172 HydrophobicContact CD2-CG 3.87Å; W168-Q172 HydrophobicContact CE3-CG 4.18Å; W168-Q172 HydrophobicContact CH2-CG 3.85Å; W168-Q172 HydrophobicContact CZ2-CG 3.49Å; W168-Q172 VanDerWaalsContact CZ2-CG 3.49Å; W168-Q172 HydrophobicContact CZ3-CG 4.2Å; W168-Q172 WeakPolarHBondContact O-CG 3.31Å; W168-Q172 PolarHBondContact O-N 3.38Å
169	E	88.3	Confident	89.7	Confident	19 Å²	19	73.3 Å²	73.3	9%	0.089	37%	0.365	C	S	.	.	H	α-helix	trans	-63.9	-38.3	178	-168.3	178.9	169.8	0	0	112	R165 L166 Q172 R173	R165-E169 WeakPolarHBondContact O-CB 3.3Å; R165-E169 PolarHBondContact O-N 3.12Å; L166-E169 PolarHBondContact O-N 2.66Å; E169-Q172 PolarHBondContact O-N 2.82Å; E169-R173 HydrophobicContact CG-CG 4.47Å; E169-R173 WeakPolarHBondContact O-CB 3.41Å; E169-R173 VanDerWaalsContact O-CG 3.31Å; E169-R173 WeakPolarHBondContact O-CG 3.4Å; E169-R173 PolarHBondContact O-N 3.33Å; E169-R173 IonicContact OE1-CZ 3.37Å; E169-R173 VanDerWaalsContact OE1-CZ 3.24Å; E169-R173 IonicContact OE1-NE 3.99Å; E169-R173 PolarHBondContact OE1-NE 3.18Å; E169-R173 VanDerWaalsContact OE1-NE 3.12Å; E169-R173 IonicContact OE1-NH2 2.67Å; E169-R173 PolarHBondContact OE1-NH2 2.9Å
170	L	90.3	Very high	90.3	Very high	86 Å²	86	70.9 Å²	70.9	45%	0.45	36%	0.36	S	S	.	.	H	α-helix	trans	-60.6	-46.2	173	-178.9	164	0	0	0	111	L166 H167 W168 R173 K174	L166-L170 VanDerWaalsContact O-CB 3.25Å; L166-L170 WeakPolarHBondContact O-CB 3.36Å; L166-L170 PolarHBondContact O-N 2.84Å; H167-L170 PolarHBondContact O-N 3.47Å; W168-L170 VanDerWaalsContact C-N 3.32Å; W168-L170 PolarHBondContact O-N 3.43Å; L170-R173 PolarHBondContact O-N 2.91Å; L170-K174 HydrophobicContact CD2-CD 3.68Å; L170-K174 VanDerWaalsContact CD2-CE 3.4Å; L170-K174 HydrophobicContact CD2-CG 4.2Å; L170-K174 WeakPolarHBondContact O-CG 3.33Å; L170-K174 PolarHBondContact O-N 3.35Å
171	E	91.1	Very high	90.8	Very high	128 Å²	128	71.6 Å²	71.6	60%	0.598	37%	0.366	S	S	*	.	H	α-helix	trans	-61.8	-43.8	176.6	-172.1	174.1	-166.8	0	0	111.4	H167 W168 K174 A175	H167-E171 WeakPolarHBondContact O-CB 3.49Å; H167-E171 PolarHBondContact O-N 3.18Å; W168-E171 WeakPolarHBondContact O-CB 3.5Å; W168-E171 PolarHBondContact O-N 2.95Å; E171-K174 PolarHBondContact O-N 3.41Å; E171-A175 WeakPolarHBondContact O-CB 3.35Å; E171-A175 PolarHBondContact O-N 3.37Å
172	Q	89.9	Confident	91.4	Very high	73 Å²	73	77 Å²	77	34%	0.341	39%	0.389	S	S	.	.	H	α-helix	trans	-62.1	-45.4	175.2	-69.8	-53.8	-54.2	0	0	112.3	W168 E169 K174 A175 L176	W168-Q172 HydrophobicContact CD2-CG 3.87Å; W168-Q172 HydrophobicContact CE3-CG 4.18Å; W168-Q172 HydrophobicContact CH2-CG 3.85Å; W168-Q172 HydrophobicContact CZ2-CG 3.49Å; W168-Q172 VanDerWaalsContact CZ2-CG 3.49Å; W168-Q172 HydrophobicContact CZ3-CG 4.2Å; W168-Q172 WeakPolarHBondContact O-CG 3.31Å; W168-Q172 PolarHBondContact O-N 3.38Å; E169-Q172 PolarHBondContact O-N 2.82Å; Q172-K174 VanDerWaalsContact C-N 3.33Å; Q172-K174 PolarHBondContact O-N 2.94Å; Q172-A175 PolarHBondContact O-N 2.87Å; Q172-L176 WeakPolarHBondContact O-CB 3.36Å; Q172-L176 VanDerWaalsContact O-CG 3.3Å; Q172-L176 WeakPolarHBondContact O-CG 3.46Å; Q172-L176 PolarHBondContact O-N 2.84Å
173	R	92.8	Very high	91.9	Very high	145 Å²	145	81 Å²	81	55%	0.547	41%	0.409	S	S	.	.	H	α-helix	trans	-64.2	-37.8	178	-73.5	-179.1	-175.3	-159.6	4	111.7	E169 L170 S177	E169-R173 HydrophobicContact CG-CG 4.47Å; E169-R173 WeakPolarHBondContact O-CB 3.41Å; E169-R173 VanDerWaalsContact O-CG 3.31Å; E169-R173 WeakPolarHBondContact O-CG 3.4Å; E169-R173 PolarHBondContact O-N 3.33Å; E169-R173 IonicContact OE1-CZ 3.37Å; E169-R173 VanDerWaalsContact OE1-CZ 3.24Å; E169-R173 IonicContact OE1-NE 3.99Å; E169-R173 PolarHBondContact OE1-NE 3.18Å; E169-R173 VanDerWaalsContact OE1-NE 3.12Å; E169-R173 IonicContact OE1-NH2 2.67Å; E169-R173 PolarHBondContact OE1-NH2 2.9Å; L170-R173 PolarHBondContact O-N 2.91Å; R173-S177 WeakPolarHBondContact O-CB 3.43Å; R173-S177 PolarHBondContact O-N 3.45Å
174	K	95.2	Very high	92.3	Very high	130 Å²	130	85 Å²	85	57%	0.565	42%	0.424	S	S	*	.	H	α-helix	trans	-63.7	-48.3	172	-76.4	-176.3	179.3	175.3	0	111.4	L170 E171 Q172 L176 S177 D178	L170-K174 HydrophobicContact CD2-CD 3.68Å; L170-K174 VanDerWaalsContact CD2-CE 3.4Å; L170-K174 HydrophobicContact CD2-CG 4.2Å; L170-K174 WeakPolarHBondContact O-CG 3.33Å; L170-K174 PolarHBondContact O-N 3.35Å; E171-K174 PolarHBondContact O-N 3.41Å; Q172-K174 VanDerWaalsContact C-N 3.33Å; Q172-K174 PolarHBondContact O-N 2.94Å; K174-L176 VanDerWaalsContact C-N 3.33Å; K174-L176 PolarHBondContact O-N 3.18Å; K174-S177 WeakPolarHBondContact O-CB 3.3Å; K174-S177 PolarHBondContact O-N 2.89Å; K174-D178 PolarHBondContact O-N 3.42Å
175	A	94.6	Very high	92.8	Very high	52 Å²	52	85.1 Å²	85.1	43%	0.43	43%	0.432	S	S	.	.	H	α-helix	trans	-60.9	-40.5	178	0	0	0	0	0	112.4	E171 Q172 D178 S179	E171-A175 WeakPolarHBondContact O-CB 3.35Å; E171-A175 PolarHBondContact O-N 3.37Å; Q172-A175 PolarHBondContact O-N 2.87Å; A175-D178 PolarHBondContact O-N 3.16Å; A175-S179 WeakPolarHBondContact O-CB 3.23Å; A175-S179 PolarHBondContact O-N 3.38Å
176	L	94.2	Very high	93.3	Very high	108 Å²	108	85.4 Å²	85.4	57%	0.565	44%	0.444	S	S	*	.	H	α-helix	trans	-67.6	-38.7	175.1	-73.9	172.5	0	0	0	112.2	Q172 K174 S179 C180	Q172-L176 WeakPolarHBondContact O-CB 3.36Å; Q172-L176 VanDerWaalsContact O-CG 3.3Å; Q172-L176 WeakPolarHBondContact O-CG 3.46Å; Q172-L176 PolarHBondContact O-N 2.84Å; K174-L176 VanDerWaalsContact C-N 3.33Å; K174-L176 PolarHBondContact O-N 3.18Å; L176-S179 PolarHBondContact O-N 2.82Å; L176-C180 WeakPolarHBondContact O-CB 3.37Å; L176-C180 PolarHBondContact O-N 3.4Å; L176-C180 PolarHBondContact O-SG 3.26Å
177	S	95.5	Very high	93.7	Very high	60 Å²	60	88.2 Å²	88.2	42%	0.42	46%	0.462	S	S	.	.	H	α-helix	trans	-62.1	-48.5	173.4	-167.6	0	0	0	0	110.8	R173 K174 S179 C180 D181	R173-S177 WeakPolarHBondContact O-CB 3.43Å; R173-S177 PolarHBondContact O-N 3.45Å; K174-S177 WeakPolarHBondContact O-CB 3.3Å; K174-S177 PolarHBondContact O-N 2.89Å; S177-S179 VanDerWaalsContact C-N 3.31Å; S177-S179 PolarHBondContact O-N 2.9Å; S177-C180 WeakPolarHBondContact O-CB 3.37Å; S177-C180 PolarHBondContact O-N 3.48Å; S177-C180 VanDerWaalsContact O-N 3.16Å; S177-D181 PolarHBondContact O-N 3.37Å
178	D	96.3	Very high	93.9	Very high	92 Å²	92	88.4 Å²	88.4	49%	0.492	46%	0.463	S	S	.	.	H	α-helix	trans	-61.3	-40.4	177.5	-69.7	-14.2	0	0	0	111.5	K174 A175 D181 K182	K174-D178 PolarHBondContact O-N 3.42Å; A175-D178 PolarHBondContact O-N 3.16Å; D178-D181 PolarHBondContact O-N 2.89Å; D178-K182 WeakPolarHBondContact O-CB 3.43Å; D178-K182 VanDerWaalsContact O-CG 3.23Å; D178-K182 WeakPolarHBondContact O-CG 3.35Å; D178-K182 PolarHBondContact O-N 3.45Å
179	S	94.5	Very high	94.3	Very high	57 Å²	57	89.9 Å²	89.9	40%	0.399	48%	0.479	S	S	.	.	H	α-helix	trans	-65.7	-41.6	175.1	-170.3	0	0	0	0	111.9	A175 L176 S177 K182 L183	A175-S179 WeakPolarHBondContact O-CB 3.23Å; A175-S179 PolarHBondContact O-N 3.38Å; L176-S179 PolarHBondContact O-N 2.82Å; S177-S179 VanDerWaalsContact C-N 3.31Å; S177-S179 PolarHBondContact O-N 2.9Å; S179-K182 PolarHBondContact O-N 2.96Å; S179-L183 WeakPolarHBondContact O-CB 3.42Å; S179-L183 WeakPolarHBondContact O-CG 3.41Å; S179-L183 PolarHBondContact O-N 3.45Å
180	C	95	Very high	94.6	Very high	63 Å²	63	92.7 Å²	92.7	43%	0.426	50%	0.498	S	S	.	.	H	α-helix	trans	-61	-43.8	174.6	-76.3	0	0	0	0	111.6	L176 S177 L183 K184	L176-C180 WeakPolarHBondContact O-CB 3.37Å; L176-C180 PolarHBondContact O-N 3.4Å; L176-C180 PolarHBondContact O-SG 3.26Å; S177-C180 WeakPolarHBondContact O-CB 3.37Å; S177-C180 PolarHBondContact O-N 3.48Å; S177-C180 VanDerWaalsContact O-N 3.16Å; C180-L183 PolarHBondContact O-N 2.9Å; C180-K184 WeakPolarHBondContact O-CB 3.3Å; C180-K184 VanDerWaalsContact O-CG 3.3Å; C180-K184 WeakPolarHBondContact O-CG 3.47Å; C180-K184 PolarHBondContact O-N 2.9Å
181	D	95.8	Very high	94.9	Very high	81 Å²	81	91 Å²	91	43%	0.433	49%	0.493	S	S	.	.	H	α-helix	trans	-71.1	-35.7	-179.2	-68.2	-22.4	0	0	0	112	S177 D178 K184 S185	S177-D181 PolarHBondContact O-N 3.37Å; D178-D181 PolarHBondContact O-N 2.89Å; D181-K184 PolarHBondContact O-N 2.9Å; D181-K184 IonicContact OD1-NZ 3.64Å; D181-S185 WeakPolarHBondContact O-CB 3.37Å; D181-S185 PolarHBondContact O-N 2.86Å; D181-S185 PolarHBondContact O-OG 2.84Å
182	K	96.2	Very high	95.1	Very high	144 Å²	144	89.3 Å²	89.3	63%	0.626	49%	0.485	S	S	*	.	H	α-helix	trans	-61.4	-44.2	168.1	-74	169.7	-174.2	171.8	0	112	D178 S179 S185 A186	D178-K182 WeakPolarHBondContact O-CB 3.43Å; D178-K182 VanDerWaalsContact O-CG 3.23Å; D178-K182 WeakPolarHBondContact O-CG 3.35Å; D178-K182 PolarHBondContact O-N 3.45Å; S179-K182 PolarHBondContact O-N 2.96Å; K182-S185 WeakPolarHBondContact CA-OG 3.45Å; K182-S185 PolarHBondContact O-OG 3.28Å; K182-A186 WeakPolarHBondContact O-CB 3.27Å; K182-A186 PolarHBondContact O-N 2.98Å
183	L	95.1	Very high	95.4	Very high	109 Å²	109	88.9 Å²	88.9	57%	0.571	49%	0.487	S	S	*	.	H	α-helix	trans	-66.1	-43.3	177.3	-77.5	168.8	0	0	0	111.8	S179 C180 S185 A186 V187	S179-L183 WeakPolarHBondContact O-CB 3.42Å; S179-L183 WeakPolarHBondContact O-CG 3.41Å; S179-L183 PolarHBondContact O-N 3.45Å; C180-L183 PolarHBondContact O-N 2.9Å; L183-S185 PolarHBondContact O-N 3.26Å; L183-A186 PolarHBondContact O-N 3.49Å; L183-V187 WeakPolarHBondContact O-CB 3.46Å; L183-V187 VanDerWaalsContact O-CG2 3.27Å; L183-V187 WeakPolarHBondContact O-CG2 3.37Å; L183-V187 PolarHBondContact O-N 2.98Å
184	K	96.1	Very high	95.5	Very high	136 Å²	136	85.5 Å²	85.5	59%	0.591	48%	0.48	S	S	*	.	H	α-helix	trans	-60	-46.5	176.3	-75.5	172.2	-173.8	167.6	0	111.8	C180 D181 A186 V187 E188	C180-K184 WeakPolarHBondContact O-CB 3.3Å; C180-K184 VanDerWaalsContact O-CG 3.3Å; C180-K184 WeakPolarHBondContact O-CG 3.47Å; C180-K184 PolarHBondContact O-N 2.9Å; D181-K184 PolarHBondContact O-N 2.9Å; D181-K184 IonicContact OD1-NZ 3.64Å; K184-A186 VanDerWaalsContact C-N 3.35Å; K184-A186 PolarHBondContact O-N 3.31Å; K184-V187 PolarHBondContact O-N 3.48Å; K184-E188 WeakPolarHBondContact O-CB 3.48Å; K184-E188 PolarHBondContact O-N 3.49Å
185	S	95.3	Very high	95.5	Very high	69 Å²	69	85.4 Å²	85.4	48%	0.483	48%	0.479	S	S	.	.	H	α-helix	trans	-64.9	-36.6	176.8	55.3	0	0	0	0	112.6	D181 K182 L183 E188 S189	D181-S185 WeakPolarHBondContact O-CB 3.37Å; D181-S185 PolarHBondContact O-N 2.86Å; D181-S185 PolarHBondContact O-OG 2.84Å; K182-S185 WeakPolarHBondContact CA-OG 3.45Å; K182-S185 PolarHBondContact O-OG 3.28Å; L183-S185 PolarHBondContact O-N 3.26Å; S185-E188 PolarHBondContact O-N 2.8Å; S185-S189 VanDerWaalsContact O-CB 3.31Å; S185-S189 WeakPolarHBondContact O-CB 3.46Å; S185-S189 PolarHBondContact O-N 3.35Å
186	A	96.1	Very high	95.5	Very high	48 Å²	48	89.7 Å²	89.7	40%	0.397	49%	0.488	S	S	.	.	H	α-helix	trans	-66.1	-41.5	173.3	0	0	0	0	0	112.8	K182 L183 K184 S189 T190	K182-A186 WeakPolarHBondContact O-CB 3.27Å; K182-A186 PolarHBondContact O-N 2.98Å; L183-A186 PolarHBondContact O-N 3.49Å; K184-A186 VanDerWaalsContact C-N 3.35Å; K184-A186 PolarHBondContact O-N 3.31Å; A186-S189 PolarHBondContact O-N 2.92Å; A186-T190 WeakPolarHBondContact O-CB 3.29Å; A186-T190 PolarHBondContact O-N 3.25Å; A186-T190 PolarHBondContact O-OG1 3.05Å
187	V	96.6	Very high	95.5	Very high	101 Å²	101	91.2 Å²	91.2	61%	0.612	49%	0.49	S	S	*	.	H	α-helix	trans	-62.9	-44.7	174.8	168.7	0	0	0	0	110.6	L183 K184 T190 S191	L183-V187 WeakPolarHBondContact O-CB 3.46Å; L183-V187 VanDerWaalsContact O-CG2 3.27Å; L183-V187 WeakPolarHBondContact O-CG2 3.37Å; L183-V187 PolarHBondContact O-N 2.98Å; K184-V187 PolarHBondContact O-N 3.48Å; V187-T190 PolarHBondContact O-N 3.04Å; V187-S191 VanDerWaalsContact O-CB 3.29Å; V187-S191 WeakPolarHBondContact O-CB 3.19Å; V187-S191 PolarHBondContact O-N 3.29Å
188	E	95.8	Very high	95.5	Very high	119 Å²	119	96.5 Å²	96.5	56%	0.556	50%	0.501	S	S	*	.	H	α-helix	trans	-63.9	-45.4	178	-170.7	172.2	-177	0	0	111.8	K184 S185 T190 S191 Q192	K184-E188 WeakPolarHBondContact O-CB 3.48Å; K184-E188 PolarHBondContact O-N 3.49Å; S185-E188 PolarHBondContact O-N 2.8Å; E188-T190 PolarHBondContact O-N 2.94Å; E188-S191 PolarHBondContact O-N 2.63Å; E188-Q192 WeakPolarHBondContact O-CG 3.38Å; E188-Q192 PolarHBondContact O-N 2.86Å
189	S	96.1	Very high	95.3	Very high	67 Å²	67	97.6 Å²	97.6	47%	0.469	51%	0.507	S	S	.	.	H	α-helix	trans	-57.7	-45	173.7	172.4	0	0	0	0	112.6	S185 A186 Q192 T193	S185-S189 VanDerWaalsContact O-CB 3.31Å; S185-S189 WeakPolarHBondContact O-CB 3.46Å; S185-S189 PolarHBondContact O-N 3.35Å; A186-S189 PolarHBondContact O-N 2.92Å; S189-Q192 PolarHBondContact O-N 2.92Å; S189-T193 PolarHBondContact O-N 2.7Å; S189-T193 PolarHBondContact O-OG1 3.49Å
190	T	94.6	Very high	95.2	Very high	78 Å²	78	102.7 Å²	102.7	48%	0.479	52%	0.518	S	S	.	.	H	α-helix	trans	-66.1	-43.2	178.1	-56	0	0	0	0	111.1	A186 V187 E188 Q192 T193 I194	A186-T190 WeakPolarHBondContact O-CB 3.29Å; A186-T190 PolarHBondContact O-N 3.25Å; A186-T190 PolarHBondContact O-OG1 3.05Å; V187-T190 PolarHBondContact O-N 3.04Å; E188-T190 PolarHBondContact O-N 2.94Å; T190-Q192 PolarHBondContact O-N 3.47Å; T190-T193 WeakPolarHBondContact O-CB 3.31Å; T190-T193 PolarHBondContact O-N 3.16Å; T190-T193 VanDerWaalsContact O-N 3.15Å; T190-I194 HydrophobicContact CG2-CD1 4.09Å; T190-I194 WeakPolarHBondContact O-CG1 3.47Å; T190-I194 PolarHBondContact O-N 3.03Å
191	S	95.9	Very high	95	Very high	51 Å²	51	105.2 Å²	105.2	36%	0.357	53%	0.527	S	S	.	.	H	α-helix	trans	-60.4	-43.9	176	-177.1	0	0	0	0	112	V187 E188 T193 I194 K195	V187-S191 VanDerWaalsContact O-CB 3.29Å; V187-S191 WeakPolarHBondContact O-CB 3.19Å; V187-S191 PolarHBondContact O-N 3.29Å; E188-S191 PolarHBondContact O-N 2.63Å; S191-T193 VanDerWaalsContact C-N 3.33Å; S191-T193 PolarHBondContact O-N 3.05Å; S191-I194 PolarHBondContact O-N 2.78Å; S191-K195 WeakPolarHBondContact O-CG 3.31Å; S191-K195 PolarHBondContact O-N 3.16Å
192	Q	95.8	Very high	94.7	Very high	93 Å²	93	104.7 Å²	104.7	44%	0.435	53%	0.534	S	S	.	.	H	α-helix	trans	-62.5	-40	173.8	-70.7	179.4	14.5	0	0	111.9	E188 S189 T190 K195 K196	E188-Q192 WeakPolarHBondContact O-CG 3.38Å; E188-Q192 PolarHBondContact O-N 2.86Å; S189-Q192 PolarHBondContact O-N 2.92Å; T190-Q192 PolarHBondContact O-N 3.47Å; Q192-K195 PolarHBondContact O-N 3.36Å; Q192-K196 WeakPolarHBondContact O-CG 3.25Å; Q192-K196 PolarHBondContact O-N 3.47Å
193	T	96.2	Very high	94.4	Very high	63 Å²	63	99.9 Å²	99.9	39%	0.387	52%	0.519	S	S	.	.	H	α-helix	trans	-64.5	-43.3	176.5	-58.5	0	0	0	0	111.6	S189 T190 S191 K196 K197	S189-T193 PolarHBondContact O-N 2.7Å; S189-T193 PolarHBondContact O-OG1 3.49Å; T190-T193 WeakPolarHBondContact O-CB 3.31Å; T190-T193 PolarHBondContact O-N 3.16Å; T190-T193 VanDerWaalsContact O-N 3.15Å; S191-T193 VanDerWaalsContact C-N 3.33Å; S191-T193 PolarHBondContact O-N 3.05Å; T193-K196 PolarHBondContact O-N 3.43Å; T193-K197 HydrophobicContact CG2-CD 4.46Å; T193-K197 WeakPolarHBondContact O-CG 3.35Å; T193-K197 PolarHBondContact O-N 3.3Å
194	I	94.5	Very high	94	Very high	75 Å²	75	100.1 Å²	100.1	39%	0.385	52%	0.515	S	S	.	.	H	α-helix	trans	-62	-44.9	174.8	-68.1	167.1	0	0	0	110.5	T190 S191 K196 K197 R198	T190-I194 HydrophobicContact CG2-CD1 4.09Å; T190-I194 WeakPolarHBondContact O-CG1 3.47Å; T190-I194 PolarHBondContact O-N 3.03Å; S191-I194 PolarHBondContact O-N 2.78Å; I194-K196 PolarHBondContact O-N 2.87Å; I194-K197 PolarHBondContact O-N 3.47Å; I194-R198 HydrophobicContact CG2-CG 4.39Å; I194-R198 WeakPolarHBondContact O-CB 3.44Å; I194-R198 WeakPolarHBondContact O-CG 3.43Å; I194-R198 PolarHBondContact O-N 3.45Å
195	K	95.2	Very high	93.6	Very high	127 Å²	127	95.8 Å²	95.8	55%	0.552	51%	0.509	S	S	*	.	H	α-helix	trans	-60.1	-45.1	176	-73.7	176.9	-177.4	179.7	0	111.6	S191 Q192 R198 N199	S191-K195 WeakPolarHBondContact O-CG 3.31Å; S191-K195 PolarHBondContact O-N 3.16Å; Q192-K195 PolarHBondContact O-N 3.36Å; K195-R198 PolarHBondContact O-N 2.92Å; K195-N199 WeakPolarHBondContact O-CB 3.49Å; K195-N199 PolarHBondContact O-N 3.15Å; K195-N199 PolarHBondContact O-OD1 2.97Å
196	K	94.9	Very high	93.4	Very high	143 Å²	143	95.8 Å²	95.8	62%	0.622	51%	0.507	S	S	*	.	H	α-helix	trans	-60	-46.3	174.9	-73.2	174.3	-177.4	176.8	0	111.9	Q192 T193 I194 N199 Y200	Q192-K196 WeakPolarHBondContact O-CG 3.25Å; Q192-K196 PolarHBondContact O-N 3.47Å; T193-K196 PolarHBondContact O-N 3.43Å; I194-K196 PolarHBondContact O-N 2.87Å; K196-N199 PolarHBondContact O-N 3.42Å; K196-Y200 WeakPolarHBondContact O-CB 3.24Å; K196-Y200 PolarHBondContact O-N 2.93Å
197	K	95.1	Very high	93	Very high	140 Å²	140	99.7 Å²	99.7	61%	0.609	52%	0.515	S	S	*	.	H	α-helix	trans	-63.4	-42.4	177	-74.1	-177	178.2	-176	0	112.2	T193 I194 Y200 L201	T193-K197 HydrophobicContact CG2-CD 4.46Å; T193-K197 WeakPolarHBondContact O-CG 3.35Å; T193-K197 PolarHBondContact O-N 3.3Å; I194-K197 PolarHBondContact O-N 3.47Å; K197-Y200 PolarHBondContact O-N 2.97Å; K197-L201 WeakPolarHBondContact O-CB 3.44Å; K197-L201 VanDerWaalsContact O-CG 3.32Å; K197-L201 WeakPolarHBondContact O-CG 3.32Å; K197-L201 PolarHBondContact O-N 2.95Å
198	R	93.7	Very high	92.6	Very high	170 Å²	170	99.5 Å²	99.5	64%	0.642	51%	0.51	S	S	*	.	H	α-helix	trans	-62.8	-44.8	174.7	-79	-175.2	173.5	145.5	-0.7	111.9	I194 K195 Y200 L201 A202	I194-R198 HydrophobicContact CG2-CG 4.39Å; I194-R198 WeakPolarHBondContact O-CB 3.44Å; I194-R198 WeakPolarHBondContact O-CG 3.43Å; I194-R198 PolarHBondContact O-N 3.45Å; K195-R198 PolarHBondContact O-N 2.92Å; R198-Y200 VanDerWaalsContact C-N 3.32Å; R198-Y200 PolarHBondContact O-N 2.78Å; R198-L201 PolarHBondContact O-N 3.5Å; R198-A202 VanDerWaalsContact O-CB 3.26Å; R198-A202 WeakPolarHBondContact O-CB 3.32Å; R198-A202 PolarHBondContact O-N 2.82Å
199	N	93.3	Very high	92.1	Very high	116 Å²	116	100 Å²	100	62%	0.62	51%	0.511	S	S	*	.	H	α-helix	trans	-64.5	-38.4	176.4	-67.9	-5.1	0	0	0	111.5	K195 K196 A202 S203	K195-N199 WeakPolarHBondContact O-CB 3.49Å; K195-N199 PolarHBondContact O-N 3.15Å; K195-N199 PolarHBondContact O-OD1 2.97Å; K196-N199 PolarHBondContact O-N 3.42Å; N199-A202 PolarHBondContact O-N 3.49Å; N199-S203 WeakPolarHBondContact O-CB 3.36Å; N199-S203 PolarHBondContact O-N 2.9Å
200	Y	91	Very high	91.7	Very high	163 Å²	163	101.1 Å²	101.1	64%	0.639	51%	0.511	S	S	*	.	H	α-helix	trans	-63.6	-46.7	174.1	-179.2	-102.5	0	0	0	111.9	K196 K197 R198 S203 F204	K196-Y200 WeakPolarHBondContact O-CB 3.24Å; K196-Y200 PolarHBondContact O-N 2.93Å; K197-Y200 PolarHBondContact O-N 2.97Å; R198-Y200 VanDerWaalsContact C-N 3.32Å; R198-Y200 PolarHBondContact O-N 2.78Å; Y200-S203 WeakPolarHBondContact O-CB 3.42Å; Y200-S203 PolarHBondContact O-N 3.2Å; Y200-S203 VanDerWaalsContact O-N 3.16Å; Y200-S203 PolarHBondContact O-OG 3.02Å; Y200-F204 PolarHBondContact O-N 3.34Å; Y200-F204 VanDerWaalsContact O-N 3.16Å
201	L	92	Very high	91.4	Very high	117 Å²	117	101.3 Å²	101.3	61%	0.613	51%	0.512	S	S	*	.	H	α-helix	trans	-63	-42.1	174.5	-71.3	171.6	0	0	0	112.1	K197 R198 S203 F204 G205	K197-L201 WeakPolarHBondContact O-CB 3.44Å; K197-L201 VanDerWaalsContact O-CG 3.32Å; K197-L201 WeakPolarHBondContact O-CG 3.32Å; K197-L201 PolarHBondContact O-N 2.95Å; R198-L201 PolarHBondContact O-N 3.5Å; L201-S203 PolarHBondContact O-N 3.46Å; L201-F204 WeakPolarHBondContact O-CB 3.26Å; L201-F204 PolarHBondContact O-N 3.3Å; L201-G205 PolarHBondContact O-N 2.92Å
202	A	89.8	Confident	90.8	Very high	70 Å²	70	101.1 Å²	101.1	58%	0.579	51%	0.514	S	S	*	.	H	α-helix	trans	-62.7	-30.1	175.2	0	0	0	0	0	112.1	R198 N199 F204 P206	R198-A202 VanDerWaalsContact O-CB 3.26Å; R198-A202 WeakPolarHBondContact O-CB 3.32Å; R198-A202 PolarHBondContact O-N 2.82Å; N199-A202 PolarHBondContact O-N 3.49Å; A202-F204 VanDerWaalsContact C-N 3.35Å; A202-P206 WeakPolarHBondContact O-CD 3.4Å
203	S	89.6	Confident	90.2	Very high	43 Å²	43	101.4 Å²	101.4	30%	0.301	52%	0.515	S	S	.	.	H	α-helix	trans	-75.4	-20.8	172.5	81.6	0	0	0	0	113.8	N199 Y200 L201 K207	N199-S203 WeakPolarHBondContact O-CB 3.36Å; N199-S203 PolarHBondContact O-N 2.9Å; Y200-S203 WeakPolarHBondContact O-CB 3.42Å; Y200-S203 PolarHBondContact O-N 3.2Å; Y200-S203 VanDerWaalsContact O-N 3.16Å; Y200-S203 PolarHBondContact O-OG 3.02Å; L201-S203 PolarHBondContact O-N 3.46Å; S203-K207 WeakPolarHBondContact O-CG 3.44Å
204	F	87.3	Confident	89.8	Confident	114 Å²	114	101.9 Å²	101.9	50%	0.5	52%	0.521	S	S	.	.	H	α-helix	trans	-76.2	-35.7	177.3	-165.5	-104.7	0	0	0	111.8	Y200 L201 A202 K207 L208	Y200-F204 PolarHBondContact O-N 3.34Å; Y200-F204 VanDerWaalsContact O-N 3.16Å; L201-F204 WeakPolarHBondContact O-CB 3.26Å; L201-F204 PolarHBondContact O-N 3.3Å; A202-F204 VanDerWaalsContact C-N 3.35Å; F204-K207 PolarHBondContact O-N 2.92Å; F204-L208 HydrophobicContact CD1-CB 4.4Å; F204-L208 HydrophobicContact CE1-CB 4.29Å; F204-L208 HydrophobicContact CE1-CD1 4.23Å; F204-L208 HydrophobicContact CE1-CD2 4.16Å; F204-L208 HydrophobicContact CE1-CG 4.47Å; F204-L208 HydrophobicContact CZ-CD1 4.44Å; F204-L208 WeakPolarHBondContact O-CB 3.41Å; F204-L208 PolarHBondContact O-N 3.04Å
205	G	87.9	Confident	89.2	Confident	44 Å²	44	101 Å²	101	45%	0.454	52%	0.519	S	S	.	.	H	α-helix	trans	-49.8	-58.9	176.5	0	0	0	0	0	114.8	L201 K207 L208 K209	L201-G205 PolarHBondContact O-N 2.92Å; G205-K207 PolarHBondContact O-N 2.99Å; G205-L208 PolarHBondContact O-N 3.37Å; G205-K209 PolarHBondContact O-N 3.29Å
206	P	89.7	Confident	88.5	Confident	69 Å²	69	98.4 Å²	98.4	45%	0.448	51%	0.511	S	S	.	.	H	α-helix	trans	-64.7	-39.7	178.7	24.7	-32.6	0	0	0	111.9	A202 L208 K209 D210	A202-P206 WeakPolarHBondContact O-CD 3.4Å; P206-L208 VanDerWaalsContact C-N 3.33Å; P206-L208 PolarHBondContact O-N 2.81Å; P206-K209 CarbonylContact O-C 3.6Å; P206-K209 WeakPolarHBondContact O-CA 3.46Å; P206-K209 WeakPolarHBondContact O-CB 3.3Å; P206-K209 PolarHBondContact O-N 3.36Å; P206-K209 VanDerWaalsContact O-N 3.12Å; P206-D210 PolarHBondContact O-N 3.49Å
207	K	88.5	Confident	87.7	Confident	130 Å²	130	97.3 Å²	97.3	57%	0.565	51%	0.511	S	S	*	.	H	α-helix	trans	-61.9	-40.1	176.8	-70	178.5	-180	-179	0	112.6	S203 F204 G205 K209 D210 V211	S203-K207 WeakPolarHBondContact O-CG 3.44Å; F204-K207 PolarHBondContact O-N 2.92Å; G205-K207 PolarHBondContact O-N 2.99Å; K207-K209 VanDerWaalsContact C-N 3.31Å; K207-D210 PolarHBondContact O-N 2.91Å; K207-V211 WeakPolarHBondContact O-CB 3.34Å; K207-V211 WeakPolarHBondContact O-CG2 3.37Å; K207-V211 PolarHBondContact O-N 3.34Å
208	L	87.9	Confident	87.2	Confident	97 Å²	97	94.8 Å²	94.8	51%	0.508	51%	0.507	S	S	.	.	H	α-helix	trans	-67.7	-36.2	176.5	-172.1	67.8	0	0	0	110.8	F204 G205 P206 V211 A212	F204-L208 HydrophobicContact CD1-CB 4.4Å; F204-L208 HydrophobicContact CE1-CB 4.29Å; F204-L208 HydrophobicContact CE1-CD1 4.23Å; F204-L208 HydrophobicContact CE1-CD2 4.16Å; F204-L208 HydrophobicContact CE1-CG 4.47Å; F204-L208 HydrophobicContact CZ-CD1 4.44Å; F204-L208 WeakPolarHBondContact O-CB 3.41Å; F204-L208 PolarHBondContact O-N 3.04Å; G205-L208 PolarHBondContact O-N 3.37Å; P206-L208 VanDerWaalsContact C-N 3.33Å; P206-L208 PolarHBondContact O-N 2.81Å; L208-V211 PolarHBondContact O-N 2.87Å; L208-A212 WeakPolarHBondContact O-CB 3.37Å; L208-A212 PolarHBondContact O-N 3.37Å
209	K	85.5	Confident	86.6	Confident	131 Å²	131	88.2 Å²	88.2	57%	0.57	48%	0.483	S	S	*	.	H	α-helix	trans	-64.1	-46.7	172.7	-167.9	-178.6	180	-170.4	0	111.6	G205 P206 K207 V211 A212 E213	G205-K209 PolarHBondContact O-N 3.29Å; P206-K209 CarbonylContact O-C 3.6Å; P206-K209 WeakPolarHBondContact O-CA 3.46Å; P206-K209 WeakPolarHBondContact O-CB 3.3Å; P206-K209 PolarHBondContact O-N 3.36Å; P206-K209 VanDerWaalsContact O-N 3.12Å; K207-K209 VanDerWaalsContact C-N 3.31Å; K209-V211 VanDerWaalsContact C-N 3.28Å; K209-V211 PolarHBondContact O-N 3.43Å; K209-A212 WeakPolarHBondContact O-CB 3.33Å; K209-A212 PolarHBondContact O-N 3.36Å; K209-A212 VanDerWaalsContact O-N 3.12Å; K209-E213 WeakPolarHBondContact CE-OE1 3.32Å; K209-E213 IonicContact NZ-OE1 3.77Å; K209-E213 WeakPolarHBondContact O-CG 3.47Å; K209-E213 PolarHBondContact O-N 2.82Å
210	D	87.6	Confident	85.7	Confident	89 Å²	89	89.8 Å²	89.8	48%	0.476	49%	0.487	S	S	.	.	H	α-helix	trans	-60	-40.3	176.1	-61.8	-17.6	0	0	0	111.2	P206 K207 S214	P206-D210 PolarHBondContact O-N 3.49Å; K207-D210 PolarHBondContact O-N 2.91Å; D210-S214 WeakPolarHBondContact O-CB 3.2Å; D210-S214 PolarHBondContact O-N 2.91Å; D210-S214 PolarHBondContact O-OG 3.05Å
211	V	87.8	Confident	85.1	Confident	83 Å²	83	88.9 Å²	88.9	50%	0.503	49%	0.492	S	S	.	.	H	α-helix	trans	-65.8	-44.8	174.4	171	0	0	0	0	110.7	K207 L208 K209 E213 S214 T215	K207-V211 WeakPolarHBondContact O-CB 3.34Å; K207-V211 WeakPolarHBondContact O-CG2 3.37Å; K207-V211 PolarHBondContact O-N 3.34Å; L208-V211 PolarHBondContact O-N 2.87Å; K209-V211 VanDerWaalsContact C-N 3.28Å; K209-V211 PolarHBondContact O-N 3.43Å; V211-E213 PolarHBondContact O-N 3.06Å; V211-S214 PolarHBondContact O-N 2.95Å; V211-T215 HydrophobicContact CG1-CG2 4.42Å; V211-T215 WeakPolarHBondContact O-CG2 3.44Å; V211-T215 PolarHBondContact O-N 3.16Å; V211-T215 PolarHBondContact O-OG1 2.95Å
212	A	83.2	Confident	84.4	Confident	47 Å²	47	88.9 Å²	88.9	39%	0.388	49%	0.491	S	S	.	.	H	α-helix	trans	-59.5	-47.6	176.8	0	0	0	0	0	111.2	L208 K209 S214 T215 L216	L208-A212 WeakPolarHBondContact O-CB 3.37Å; L208-A212 PolarHBondContact O-N 3.37Å; K209-A212 WeakPolarHBondContact O-CB 3.33Å; K209-A212 PolarHBondContact O-N 3.36Å; K209-A212 VanDerWaalsContact O-N 3.12Å; A212-S214 VanDerWaalsContact C-N 3.33Å; A212-S214 PolarHBondContact O-N 3.35Å; A212-T215 WeakPolarHBondContact CA-OG1 3.33Å; A212-T215 PolarHBondContact O-N 2.98Å; A212-T215 VanDerWaalsContact O-N 3.12Å; A212-T215 PolarHBondContact O-OG1 2.93Å; A212-L216 PolarHBondContact O-N 3.45Å; A212-L216 VanDerWaalsContact O-N 3.1Å
213	E	84.2	Confident	83.2	Confident	98 Å²	98	92.4 Å²	92.4	46%	0.458	50%	0.5	S	S	.	.	H	α-helix	trans	-59.8	-41.6	175.6	-71.3	175.7	-170.1	0	0	111.8	K209 V211 T215 L216	K209-E213 WeakPolarHBondContact CE-OE1 3.32Å; K209-E213 IonicContact NZ-OE1 3.77Å; K209-E213 WeakPolarHBondContact O-CG 3.47Å; K209-E213 PolarHBondContact O-N 2.82Å; V211-E213 PolarHBondContact O-N 3.06Å; E213-T215 VanDerWaalsContact C-N 3.33Å; E213-T215 PolarHBondContact O-N 2.89Å; E213-L216 WeakPolarHBondContact O-CB 3.48Å; E213-L216 PolarHBondContact O-N 3.46Å
214	S	86.4	Confident	82.3	Confident	74 Å²	74	94 Å²	94	52%	0.517	50%	0.504	S	S	.	.	H	α-helix	trans	-64.9	-36.2	175.5	-58.4	0	0	0	0	112.4	D210 V211 A212 L216	D210-S214 WeakPolarHBondContact O-CB 3.2Å; D210-S214 PolarHBondContact O-N 2.91Å; D210-S214 PolarHBondContact O-OG 3.05Å; V211-S214 PolarHBondContact O-N 2.95Å; A212-S214 VanDerWaalsContact C-N 3.33Å; A212-S214 PolarHBondContact O-N 3.35Å; S214-L216 VanDerWaalsContact C-N 3.34Å
215	T	83.3	Confident	81.3	Confident	56 Å²	56	91.4 Å²	91.4	34%	0.344	50%	0.5	S	S	.	.	H	α-helix	trans	-71.6	-26.7	177.6	59	0	0	0	0	113.1	V211 A212 E213 I217 V218 Q219	V211-T215 HydrophobicContact CG1-CG2 4.42Å; V211-T215 WeakPolarHBondContact O-CG2 3.44Å; V211-T215 PolarHBondContact O-N 3.16Å; V211-T215 PolarHBondContact O-OG1 2.95Å; A212-T215 WeakPolarHBondContact CA-OG1 3.33Å; A212-T215 PolarHBondContact O-N 2.98Å; A212-T215 VanDerWaalsContact O-N 3.12Å; A212-T215 PolarHBondContact O-OG1 2.93Å; E213-T215 VanDerWaalsContact C-N 3.33Å; E213-T215 PolarHBondContact O-N 2.89Å; T215-I217 VanDerWaalsContact C-N 3.3Å; T215-I217 PolarHBondContact O-N 3.27Å; T215-V218 PolarHBondContact O-N 3.1Å; T215-V218 VanDerWaalsContact O-N 3.15Å; T215-Q219 VanDerWaalsContact O-CG 3.31Å; T215-Q219 WeakPolarHBondContact O-CG 3.14Å; T215-Q219 PolarHBondContact O-N 3.47Å
216	L	79.6	Confident	80.5	Confident	72 Å²	72	95.2 Å²	95.2	38%	0.377	50%	0.504	S	S	.	.	H	α-helix	trans	-59	-41.9	177.1	-70.1	174.4	0	0	0	111.7	A212 E213 S214 V218 Q219 E220 T227	A212-L216 PolarHBondContact O-N 3.45Å; A212-L216 VanDerWaalsContact O-N 3.1Å; E213-L216 WeakPolarHBondContact O-CB 3.48Å; E213-L216 PolarHBondContact O-N 3.46Å; S214-L216 VanDerWaalsContact C-N 3.34Å; L216-V218 VanDerWaalsContact C-N 3.31Å; L216-V218 PolarHBondContact O-N 3.1Å; L216-Q219 WeakPolarHBondContact O-CB 3.43Å; L216-Q219 PolarHBondContact O-N 3.02Å; L216-E220 WeakPolarHBondContact O-CG 3.26Å; L216-E220 PolarHBondContact O-N 3.24Å; L216-T227 HydrophobicContact CD2-CG2 3.93Å
217	I	78.9	Confident	79.5	Confident	120 Å²	120	94 Å²	94	62%	0.615	50%	0.495	S	S	*	.	H	α-helix	trans	-61.8	-41.4	177.4	-58.1	171.8	0	0	0	110.9	T215 E220 L221	T215-I217 VanDerWaalsContact C-N 3.3Å; T215-I217 PolarHBondContact O-N 3.27Å; I217-E220 PolarHBondContact O-N 2.9Å; I217-L221 WeakPolarHBondContact O-CB 3.5Å; I217-L221 PolarHBondContact O-N 2.97Å
218	V	83.4	Confident	78.6	Confident	87 Å²	87	90.2 Å²	90.2	53%	0.527	49%	0.485	S	S	.	.	H	α-helix	trans	-69.5	-37.6	178.1	-179.3	0	0	0	0	110.9	T215 L216 L221 M222	T215-V218 PolarHBondContact O-N 3.1Å; T215-V218 VanDerWaalsContact O-N 3.15Å; L216-V218 VanDerWaalsContact C-N 3.31Å; L216-V218 PolarHBondContact O-N 3.1Å; V218-L221 PolarHBondContact O-N 3.4Å; V218-M222 HydrophobicContact CG1-CG 4.15Å; V218-M222 VanDerWaalsContact O-CB 3.31Å; V218-M222 WeakPolarHBondContact O-CB 3.49Å; V218-M222 VanDerWaalsContact O-CG 3.22Å; V218-M222 WeakPolarHBondContact O-CG 3.31Å; V218-M222 PolarHBondContact O-N 3.12Å
219	Q	80.9	Confident	77.9	Confident	32 Å²	32	88.9 Å²	88.9	15%	0.15	48%	0.476	C	S	.	.	H	α-helix	trans	-62.2	-43.7	175.4	-75.1	179.6	22	0	0	111.8	T215 L216 M222 D223 L224 T227	T215-Q219 VanDerWaalsContact O-CG 3.31Å; T215-Q219 WeakPolarHBondContact O-CG 3.14Å; T215-Q219 PolarHBondContact O-N 3.47Å; L216-Q219 WeakPolarHBondContact O-CB 3.43Å; L216-Q219 PolarHBondContact O-N 3.02Å; Q219-M222 PolarHBondContact O-N 3.03Å; Q219-D223 PolarHBondContact O-N 2.8Å; Q219-D223 VanDerWaalsContact O-N 3.09Å; Q219-L224 VanDerWaalsContact CB-O 3.22Å; Q219-L224 WeakPolarHBondContact CB-O 3.42Å; Q219-L224 VanDerWaalsContact CG-O 3.27Å; Q219-L224 WeakPolarHBondContact CG-O 3.46Å; Q219-L224 PolarHBondContact O-N 3.35Å; Q219-T227 PolarHBondContact NE2-OG1 3.34Å; Q219-T227 VanDerWaalsContact OE1-N 3.17Å; Q219-T227 PolarHBondContact OE1-OG1 2.86Å
220	E	75.3	Confident	77.5	Confident	149 Å²	149	87.1 Å²	87.1	70%	0.696	47%	0.473	S	S	*	.	H	α-helix	trans	-64.3	-40.8	174.9	-72.1	177.1	178.3	0	0	111.8	L216 I217 M222	L216-E220 WeakPolarHBondContact O-CG 3.26Å; L216-E220 PolarHBondContact O-N 3.24Å; I217-E220 PolarHBondContact O-N 2.9Å; E220-M222 VanDerWaalsContact C-N 3.32Å; E220-M222 PolarHBondContact O-N 3.22Å
221	L	79.1	Confident	76.9	Confident	144 Å²	144	88.4 Å²	88.4	75%	0.754	48%	0.476	S	S	*	.	H	α-helix	trans	-69.2	-30.9	178.8	-168.4	71	0	0	0	113	I217 V218	I217-L221 WeakPolarHBondContact O-CB 3.5Å; I217-L221 PolarHBondContact O-N 2.97Å; V218-L221 PolarHBondContact O-N 3.4Å
222	M	76.2	Confident	76.5	Confident	118 Å²	118	86.3 Å²	86.3	58%	0.581	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	1.2	-177.3	-65.2	-63.8	-60.2	0	0	113.4	V218 Q219 E220 L224	V218-M222 HydrophobicContact CG1-CG 4.15Å; V218-M222 VanDerWaalsContact O-CB 3.31Å; V218-M222 WeakPolarHBondContact O-CB 3.49Å; V218-M222 VanDerWaalsContact O-CG 3.22Å; V218-M222 WeakPolarHBondContact O-CG 3.31Å; V218-M222 PolarHBondContact O-N 3.12Å; Q219-M222 PolarHBondContact O-N 3.03Å; E220-M222 VanDerWaalsContact C-N 3.32Å; E220-M222 PolarHBondContact O-N 3.22Å; M222-L224 HydrophobicContact CB-CB 4.41Å; M222-L224 HydrophobicContact CB-CD1 3.97Å; M222-L224 HydrophobicContact CB-CG 4.16Å; M222-L224 PolarHBondContact O-N 3.45Å
223	D	65.6	Low	76.5	Confident	144 Å²	144	89.8 Å²	89.8	77%	0.77	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	36.2	-172.2	-65.6	-41.9	0	0	0	113.2	Q219 P225	Q219-D223 PolarHBondContact O-N 2.8Å; Q219-D223 VanDerWaalsContact O-N 3.09Å; D223-P225 VanDerWaalsContact O-CD 3.29Å; D223-P225 WeakPolarHBondContact O-CD 3.46Å
224	L	69.6	Low	76.3	Confident	75 Å²	75	89.3 Å²	89.3	39%	0.393	47%	0.465	S	S	.	.			trans	-115.8	85.3	-178.1	-71	172.9	0	0	0	110.9	Q219 M222 F226	Q219-L224 VanDerWaalsContact CB-O 3.22Å; Q219-L224 WeakPolarHBondContact CB-O 3.42Å; Q219-L224 VanDerWaalsContact CG-O 3.27Å; Q219-L224 WeakPolarHBondContact CG-O 3.46Å; Q219-L224 PolarHBondContact O-N 3.35Å; M222-L224 HydrophobicContact CB-CB 4.41Å; M222-L224 HydrophobicContact CB-CD1 3.97Å; M222-L224 HydrophobicContact CB-CG 4.16Å; M222-L224 PolarHBondContact O-N 3.45Å; L224-F226 HydrophobicContact CB-CD2 4Å; L224-F226 HydrophobicContact CB-CE2 3.73Å; L224-F226 HydrophobicContact CB-CZ 4.37Å; L224-F226 HydrophobicContact CD1-CE2 3.98Å; L224-F226 HydrophobicContact CD2-CE2 4.15Å; L224-F226 HydrophobicContact CD2-CZ 4.01Å; L224-F226 HydrophobicContact CG-CE2 4.16Å; L224-F226 PolarHBondContact O-N 3.31Å
225	P	67.2	Low	76	Confident	61 Å²	61	87.6 Å²	87.6	40%	0.396	45%	0.45	S	S	.	.			trans	-82.9	44.4	-169	36.5	-39.8	0	0	0	113.7	D223 T227 S228 E229	D223-P225 VanDerWaalsContact O-CD 3.29Å; D223-P225 WeakPolarHBondContact O-CD 3.46Å; P225-T227 VanDerWaalsContact C-N 3.32Å; P225-T227 PolarHBondContact O-N 2.99Å; P225-S228 WeakPolarHBondContact CB-OG 3.37Å; P225-S228 PolarHBondContact O-N 3.47Å; P225-S228 PolarHBondContact O-OG 3.33Å; P225-E229 WeakPolarHBondContact O-CG 3.3Å; P225-E229 PolarHBondContact O-N 2.86Å
226	F	69.8	Low	75.9	Confident	123 Å²	123	85 Å²	85	54%	0.539	43%	0.434	S	S	.	.	H	α-helix	trans	-57.4	-39.8	-174.2	-66.1	-59.7	0	0	0	113.7	L224 E229 N230	L224-F226 HydrophobicContact CB-CD2 4Å; L224-F226 HydrophobicContact CB-CE2 3.73Å; L224-F226 HydrophobicContact CB-CZ 4.37Å; L224-F226 HydrophobicContact CD1-CE2 3.98Å; L224-F226 HydrophobicContact CD2-CE2 4.15Å; L224-F226 HydrophobicContact CD2-CZ 4.01Å; L224-F226 HydrophobicContact CG-CE2 4.16Å; L224-F226 PolarHBondContact O-N 3.31Å; F226-E229 PolarHBondContact O-N 2.94Å; F226-N230 WeakPolarHBondContact O-CB 3.33Å; F226-N230 PolarHBondContact O-N 3.4Å
227	T	69.1	Low	75.9	Confident	44 Å²	44	87.4 Å²	87.4	27%	0.27	44%	0.442	S	S	.	.	H	α-helix	trans	-64.6	-45.2	179.9	-59.1	0	0	0	0	110.8	L216 Q219 P225 E229 N230 E231	L216-T227 HydrophobicContact CD2-CG2 3.93Å; Q219-T227 PolarHBondContact NE2-OG1 3.34Å; Q219-T227 VanDerWaalsContact OE1-N 3.17Å; Q219-T227 PolarHBondContact OE1-OG1 2.86Å; P225-T227 VanDerWaalsContact C-N 3.32Å; P225-T227 PolarHBondContact O-N 2.99Å; T227-E229 VanDerWaalsContact C-N 3.34Å; T227-E229 PolarHBondContact O-N 3.38Å; T227-N230 PolarHBondContact O-N 2.86Å; T227-E231 WeakPolarHBondContact O-CG 3.39Å; T227-E231 PolarHBondContact O-N 3.21Å
228	S	69.6	Low	76.1	Confident	50 Å²	50	83 Å²	83	35%	0.35	42%	0.419	S	S	.	.	H	α-helix	trans	-66.1	-36.2	178.7	74.6	0	0	0	0	112.3	P225 E231 Q232	P225-S228 WeakPolarHBondContact CB-OG 3.37Å; P225-S228 PolarHBondContact O-N 3.47Å; P225-S228 PolarHBondContact O-OG 3.33Å; S228-E231 PolarHBondContact O-N 3.09Å; S228-Q232 VanDerWaalsContact O-CG 3.32Å; S228-Q232 WeakPolarHBondContact O-CG 3.29Å; S228-Q232 PolarHBondContact O-N 2.7Å
229	E	73.3	Confident	75.9	Confident	69 Å²	69	79.5 Å²	79.5	32%	0.322	40%	0.397	S	S	.	.	H	α-helix	trans	-67.5	-38	175.6	-69.1	-167.1	138.4	0	0	111.7	P225 F226 T227 Q232 Y233 K251	P225-E229 WeakPolarHBondContact O-CG 3.3Å; P225-E229 PolarHBondContact O-N 2.86Å; F226-E229 PolarHBondContact O-N 2.94Å; T227-E229 VanDerWaalsContact C-N 3.34Å; T227-E229 PolarHBondContact O-N 3.38Å; E229-Q232 PolarHBondContact O-N 2.79Å; E229-Y233 WeakPolarHBondContact O-CB 3.34Å; E229-Y233 PolarHBondContact O-N 3.07Å; E229-K251 IonicContact OE1-NZ 3.59Å; E229-K251 PolarHBondContact OE1-NZ 3.23Å
230	N	77.4	Confident	75.9	Confident	94 Å²	94	78.9 Å²	78.9	50%	0.503	40%	0.396	S	S	.	.	H	α-helix	trans	-69.5	-38.2	176.8	-169.3	52.3	0	0	0	112	F226 T227 Y233 N234	F226-N230 WeakPolarHBondContact O-CB 3.33Å; F226-N230 PolarHBondContact O-N 3.4Å; T227-N230 PolarHBondContact O-N 2.86Å; N230-Y233 PolarHBondContact O-N 3.38Å; N230-N234 VanDerWaalsContact O-CG 3.28Å; N230-N234 PolarHBondContact O-N 3.07Å; N230-N234 PolarHBondContact O-ND2 3.48Å; N230-N234 VanDerWaalsContact O-ND2 3.13Å
231	E	75.1	Confident	76.3	Confident	117 Å²	117	76 Å²	76	55%	0.547	39%	0.393	S	S	.	.	H	α-helix	trans	-61.2	-46	171.6	-74.7	176	-176.9	0	0	111.3	T227 S228 Y233 N234 L235	T227-E231 WeakPolarHBondContact O-CG 3.39Å; T227-E231 PolarHBondContact O-N 3.21Å; S228-E231 PolarHBondContact O-N 3.09Å; E231-Y233 VanDerWaalsContact C-N 3.3Å; E231-Y233 PolarHBondContact O-N 3.31Å; E231-N234 PolarHBondContact O-N 3.13Å; E231-L235 VanDerWaalsContact O-CG 3.32Å; E231-L235 WeakPolarHBondContact O-CG 3.44Å; E231-L235 PolarHBondContact O-N 3.35Å
232	Q	80.3	Confident	76.4	Confident	38 Å²	38	70 Å²	70	18%	0.178	36%	0.362	C	S	.	.	H	α-helix	trans	-60.8	-38.9	173.8	-70.9	-175.3	0	0	0	112.2	S228 E229 L235 A236 Y247 V265 I267	S228-Q232 VanDerWaalsContact O-CG 3.32Å; S228-Q232 WeakPolarHBondContact O-CG 3.29Å; S228-Q232 PolarHBondContact O-N 2.7Å; E229-Q232 PolarHBondContact O-N 2.79Å; Q232-L235 PolarHBondContact O-N 2.87Å; Q232-A236 WeakPolarHBondContact O-CB 3.33Å; Q232-A236 PolarHBondContact O-N 3.06Å; Q232-Y247 WeakPolarHBondContact CB-OH 3.28Å; Q232-Y247 PolarHBondContact OE1-OH 3.07Å; Q232-V265 PolarHBondContact NE2-O 3.4Å; Q232-V265 PolarHBondContact OE1-O 3.26Å; Q232-I267 WeakPolarHBondContact O-CD1 3.35Å
233	Y	82.7	Confident	76.8	Confident	120 Å²	120	64.4 Å²	64.4	47%	0.471	34%	0.335	S	S	.	.	H	α-helix	trans	-65.2	-42	176.6	-170.8	-108.1	0	0	0	112.2	E229 N230 E231 L235 A236 F237	E229-Y233 WeakPolarHBondContact O-CB 3.34Å; E229-Y233 PolarHBondContact O-N 3.07Å; N230-Y233 PolarHBondContact O-N 3.38Å; E231-Y233 VanDerWaalsContact C-N 3.3Å; E231-Y233 PolarHBondContact O-N 3.31Å; Y233-L235 VanDerWaalsContact C-N 3.33Å; Y233-L235 PolarHBondContact O-N 3.24Å; Y233-A236 WeakPolarHBondContact O-CB 3.31Å; Y233-A236 PolarHBondContact O-N 3.18Å; Y233-F237 HydrophobicContact CD1-CD2 4.39Å; Y233-F237 AromaticContact CD1-CE2 3.67Å; Y233-F237 HydrophobicContact CD1-CE2 3.67Å; Y233-F237 HydrophobicContact CD1-CZ 4.46Å; Y233-F237 HydrophobicContact CE1-CD2 4.3Å; Y233-F237 AromaticContact CE1-CE2 3.21Å; Y233-F237 HydrophobicContact CE1-CE2 3.21Å; Y233-F237 AromaticContact CE1-CZ 3.61Å; Y233-F237 HydrophobicContact CE1-CZ 3.61Å; Y233-F237 HydrophobicContact CE2-CE2 4.48Å; Y233-F237 HydrophobicContact CG-CE2 4.47Å; Y233-F237 AromaticContact CZ-CE2 3.66Å; Y233-F237 AromaticContact CZ-CZ 3.62Å; Y233-F237 WeakPolarHBondContact O-CD2 3.39Å; Y233-F237 PolarHBondContact O-N 2.93Å; Y233-F237 WeakPolarHBondContact OH-CZ 3.39Å
234	N	80.8	Confident	77.7	Confident	88 Å²	88	61.7 Å²	61.7	47%	0.471	31%	0.314	S	S	.	.	H	α-helix	trans	-64.2	-37.9	174.3	-70.2	-35.7	0	0	0	112.2	N230 E231 A236	N230-N234 VanDerWaalsContact O-CG 3.28Å; N230-N234 PolarHBondContact O-N 3.07Å; N230-N234 PolarHBondContact O-ND2 3.48Å; N230-N234 VanDerWaalsContact O-ND2 3.13Å; E231-N234 PolarHBondContact O-N 3.13Å; N234-A236 VanDerWaalsContact C-N 3.35Å
235	L	79.3	Confident	78.5	Confident	39 Å²	39	61.3 Å²	61.3	20%	0.204	31%	0.312	C	S	.	.	H	α-helix	trans	-68.8	-33.8	173.2	-69.3	174.4	0	0	0	111.9	E231 Q232 Y233 F237 L238 I267	E231-L235 VanDerWaalsContact O-CG 3.32Å; E231-L235 WeakPolarHBondContact O-CG 3.44Å; E231-L235 PolarHBondContact O-N 3.35Å; Q232-L235 PolarHBondContact O-N 2.87Å; Y233-L235 VanDerWaalsContact C-N 3.33Å; Y233-L235 PolarHBondContact O-N 3.24Å; L235-F237 VanDerWaalsContact C-N 3.28Å; L235-F237 PolarHBondContact O-N 3.42Å; L235-L238 WeakPolarHBondContact O-CB 3.45Å; L235-L238 PolarHBondContact O-N 2.86Å; L235-I267 HydrophobicContact CB-CB 4.34Å; L235-I267 HydrophobicContact CB-CD1 4.11Å; L235-I267 HydrophobicContact CB-CG2 4.16Å; L235-I267 HydrophobicContact CD1-CB 4.48Å
236	A	81.1	Confident	79.4	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.9	-35.3	179.6	0	0	0	0	0	112.1	Q232 Y233 N234 L238 L239 Y244 Y247 I267	Q232-A236 WeakPolarHBondContact O-CB 3.33Å; Q232-A236 PolarHBondContact O-N 3.06Å; Y233-A236 WeakPolarHBondContact O-CB 3.31Å; Y233-A236 PolarHBondContact O-N 3.18Å; N234-A236 VanDerWaalsContact C-N 3.35Å; A236-L238 PolarHBondContact O-N 3.31Å; A236-L239 HydrophobicContact CB-CD1 4.47Å; A236-L239 WeakPolarHBondContact O-CB 3.4Å; A236-L239 PolarHBondContact O-N 3.49Å; A236-L239 VanDerWaalsContact O-N 3.12Å; A236-Y244 HydrophobicContact CB-CD2 4.18Å; A236-Y244 HydrophobicContact CB-CE2 4.15Å; A236-Y244 VanDerWaalsContact O-CD2 3.3Å; A236-Y244 WeakPolarHBondContact O-CD2 3.26Å; A236-Y247 HydrophobicContact CB-CD1 3.83Å; A236-Y247 HydrophobicContact CB-CE1 3.75Å; A236-I267 HydrophobicContact CB-CD1 3.88Å
237	F	80.4	Confident	80.1	Confident	124 Å²	124	53.2 Å²	53.2	54%	0.544	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.3	174.7	-76.7	-66.8	0	0	0	114.4	Y233 L235	Y233-F237 HydrophobicContact CD1-CD2 4.39Å; Y233-F237 AromaticContact CD1-CE2 3.67Å; Y233-F237 HydrophobicContact CD1-CE2 3.67Å; Y233-F237 HydrophobicContact CD1-CZ 4.46Å; Y233-F237 HydrophobicContact CE1-CD2 4.3Å; Y233-F237 AromaticContact CE1-CE2 3.21Å; Y233-F237 HydrophobicContact CE1-CE2 3.21Å; Y233-F237 AromaticContact CE1-CZ 3.61Å; Y233-F237 HydrophobicContact CE1-CZ 3.61Å; Y233-F237 HydrophobicContact CE2-CE2 4.48Å; Y233-F237 HydrophobicContact CG-CE2 4.47Å; Y233-F237 AromaticContact CZ-CE2 3.66Å; Y233-F237 AromaticContact CZ-CZ 3.62Å; Y233-F237 WeakPolarHBondContact O-CD2 3.39Å; Y233-F237 PolarHBondContact O-N 2.93Å; Y233-F237 WeakPolarHBondContact OH-CZ 3.39Å; L235-F237 VanDerWaalsContact C-N 3.28Å; L235-F237 PolarHBondContact O-N 3.42Å
238	L	81.3	Confident	80.9	Confident	27 Å²	27	53.3 Å²	53.3	14%	0.141	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-4.9	178.5	-62.9	170.6	0	0	0	112.5	L235 A236 S271 A274 K275 N278 L335	L235-L238 WeakPolarHBondContact O-CB 3.45Å; L235-L238 PolarHBondContact O-N 2.86Å; A236-L238 PolarHBondContact O-N 3.31Å; L238-S271 VanDerWaalsContact CD1-OG 3.31Å; L238-S271 WeakPolarHBondContact CD1-OG 3.37Å; L238-A274 HydrophobicContact CB-CB 4.26Å; L238-K275 HydrophobicContact CD1-CG 4.11Å; L238-K275 HydrophobicContact CD2-CD 4.49Å; L238-K275 HydrophobicContact CD2-CG 3.52Å; L238-K275 HydrophobicContact CG-CG 4.49Å; L238-N278 PolarHBondContact O-ND2 2.94Å; L238-L335 HydrophobicContact CB-CD1 3.55Å
239	L	80.9	Confident	81.6	Confident	13 Å²	13	52.8 Å²	52.8	7%	0.068	27%	0.266	C	S	.	.	S	Bend	trans	-76.4	147.3	180	-70	172.5	0	0	0	112.1	A236 L243 Y247 I267 L335 V337	A236-L239 HydrophobicContact CB-CD1 4.47Å; A236-L239 WeakPolarHBondContact O-CB 3.4Å; A236-L239 PolarHBondContact O-N 3.49Å; A236-L239 VanDerWaalsContact O-N 3.12Å; L239-L243 HydrophobicContact CB-CB 4.24Å; L239-L243 HydrophobicContact CD2-CB 4.21Å; L239-L243 HydrophobicContact CD2-CD1 4.27Å; L239-Y247 HydrophobicContact CD1-CG 4.48Å; L239-I267 HydrophobicContact CD1-CD1 3.72Å; L239-I267 HydrophobicContact CD1-CG1 4.14Å; L239-I267 HydrophobicContact CD2-CG2 4.13Å; L239-I267 HydrophobicContact CG-CD1 4.48Å; L239-L335 HydrophobicContact CD2-CB 3.51Å; L239-L335 HydrophobicContact CD2-CD1 4.01Å; L239-L335 HydrophobicContact CD2-CG 4.41Å; L239-L335 HydrophobicContact CG-CD1 4.39Å; L239-V337 HydrophobicContact CD1-CG2 3.85Å; L239-V337 HydrophobicContact CD2-CG2 4.2Å
240	P	80.8	Confident	82.1	Confident	19 Å²	19	49.7 Å²	49.7	12%	0.123	25%	0.251	C	S	.	.			trans	-57	147.9	165.5	-23.5	33.8	0	0	0	111.3	P242 L243 Y244 H333 W364	P240-P242 VanDerWaalsContact C-CD 3.45Å; P240-P242 VanDerWaalsContact C-N 3.33Å; P240-P242 VanDerWaalsContact O-N 3.13Å; P240-L243 HydrophobicContact CG-CD1 4.41Å; P240-L243 PolarHBondContact O-N 3.24Å; P240-Y244 PolarHBondContact O-N 3.31Å; P240-H333 VanDerWaalsContact CD-CE1 3.5Å; P240-H333 WeakPolarHBondContact CD-CE1 3.47Å; P240-H333 HydrophobicContact CG-CB 4.2Å; P240-H333 VanDerWaalsContact CG-CD2 3.49Å; P240-H333 WeakPolarHBondContact CG-CD2 3.39Å; P240-W364 HydrophobicContact CB-CD2 4.45Å; P240-W364 HydrophobicContact CB-CG 4.08Å; P240-W364 HydrophobicContact CG-CB 4.11Å; P240-W364 HydrophobicContact CG-CG 3.94Å
241	S	82.3	Confident	82.4	Confident	89 Å²	89	47.7 Å²	47.7	62%	0.622	24%	0.238	S	C	*	.	H	α-helix	trans	-48.9	-43.9	-176.1	-55.1	0	0	0	0	114.4	L243 Y244 I245	S241-L243 PolarHBondContact O-N 3.15Å; S241-Y244 PolarHBondContact O-N 2.94Å; S241-I245 VanDerWaalsContact O-CG1 3.29Å; S241-I245 WeakPolarHBondContact O-CG1 3.44Å; S241-I245 PolarHBondContact O-N 3.21Å
242	P	82.8	Confident	82.7	Confident	18 Å²	18	44 Å²	44	12%	0.117	23%	0.226	C	C	.	.	H	α-helix	trans	-66.1	-37.2	179.5	-22.6	36	0	0	0	113.6	P240 L246 W364 V371 S451 I453	P240-P242 VanDerWaalsContact C-CD 3.45Å; P240-P242 VanDerWaalsContact C-N 3.33Å; P240-P242 VanDerWaalsContact O-N 3.13Å; P242-L246 WeakPolarHBondContact O-CB 3.33Å; P242-L246 PolarHBondContact O-N 3.06Å; P242-W364 HydrophobicContact CB-CE3 4.39Å; P242-W364 HydrophobicContact CB-CH2 4.42Å; P242-W364 HydrophobicContact CB-CZ3 4.05Å; P242-W364 HydrophobicContact CG-CE3 4.31Å; P242-W364 HydrophobicContact CG-CH2 3.66Å; P242-W364 HydrophobicContact CG-CZ2 4.14Å; P242-W364 HydrophobicContact CG-CZ3 3.79Å; P242-V371 HydrophobicContact CB-CG2 4.24Å; P242-S451 WeakPolarHBondContact CA-O 3.5Å; P242-S451 WeakPolarHBondContact O-CB 3.42Å; P242-I453 HydrophobicContact CB-CD1 3.7Å; P242-I453 HydrophobicContact CB-CG1 3.89Å; P242-I453 HydrophobicContact CG-CD1 3.83Å; P242-I453 HydrophobicContact CG-CG1 3.98Å
243	L	84.1	Confident	82.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-72.8	-34.3	176	-71.2	-174.6	0	0	0	111.6	L239 P240 S241 L246 Y247 V337 F362 W364 V371	L239-L243 HydrophobicContact CB-CB 4.24Å; L239-L243 HydrophobicContact CD2-CB 4.21Å; L239-L243 HydrophobicContact CD2-CD1 4.27Å; P240-L243 HydrophobicContact CG-CD1 4.41Å; P240-L243 PolarHBondContact O-N 3.24Å; S241-L243 PolarHBondContact O-N 3.15Å; L243-L246 HydrophobicContact CD2-CD2 4.48Å; L243-Y247 VanDerWaalsContact O-CB 3.31Å; L243-Y247 WeakPolarHBondContact O-CB 3.41Å; L243-Y247 PolarHBondContact O-N 3.36Å; L243-V337 HydrophobicContact CB-CG2 4.09Å; L243-V337 HydrophobicContact CD2-CG2 4.31Å; L243-F362 HydrophobicContact CD2-CB 3.94Å; L243-W364 HydrophobicContact CD1-CB 3.66Å; L243-W364 HydrophobicContact CG-CB 4.1Å; L243-V371 HydrophobicContact CD2-CG1 4.17Å; L243-V371 HydrophobicContact CD2-CG2 4.28Å
244	Y	85.1	Confident	82.7	Confident	87 Å²	87	38.1 Å²	38.1	34%	0.341	20%	0.202	S	C	.	.	H	α-helix	trans	-64.6	-46.1	174.2	179.4	-99	0	0	0	111.8	A236 P240 S241 L246 Y247 S248	A236-Y244 HydrophobicContact CB-CD2 4.18Å; A236-Y244 HydrophobicContact CB-CE2 4.15Å; A236-Y244 VanDerWaalsContact O-CD2 3.3Å; A236-Y244 WeakPolarHBondContact O-CD2 3.26Å; P240-Y244 PolarHBondContact O-N 3.31Å; S241-Y244 PolarHBondContact O-N 2.94Å; Y244-L246 PolarHBondContact O-N 3.17Å; Y244-Y247 PolarHBondContact O-N 3.44Å; Y244-S248 WeakPolarHBondContact O-CB 3.47Å; Y244-S248 PolarHBondContact O-N 3.2Å; Y244-S248 PolarHBondContact O-OG 2.76Å
245	I	85.7	Confident	82.6	Confident	67 Å²	67	37.3 Å²	37.3	34%	0.344	20%	0.203	S	C	.	.	H	α-helix	trans	-58	-51.3	175.5	-68.8	164.8	0	0	0	109.2	S241 Y247 S248 L249	S241-I245 VanDerWaalsContact O-CG1 3.29Å; S241-I245 WeakPolarHBondContact O-CG1 3.44Å; S241-I245 PolarHBondContact O-N 3.21Å; I245-Y247 PolarHBondContact O-N 3.28Å; I245-S248 PolarHBondContact O-N 3.34Å; I245-S248 PolarHBondContact O-OG 2.82Å; I245-L249 HydrophobicContact CG2-CD1 3.66Å; I245-L249 HydrophobicContact CG2-CG 4.32Å; I245-L249 WeakPolarHBondContact O-CB 3.45Å; I245-L249 VanDerWaalsContact O-CG 3.3Å; I245-L249 WeakPolarHBondContact O-CG 3.22Å; I245-L249 PolarHBondContact O-N 3.48Å
246	L	85.5	Confident	82.5	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-56.8	-47.7	177.8	-177	71.3	0	0	0	112.2	P242 L243 Y244 S248 L249 L250 F362 L450	P242-L246 WeakPolarHBondContact O-CB 3.33Å; P242-L246 PolarHBondContact O-N 3.06Å; L243-L246 HydrophobicContact CD2-CD2 4.48Å; Y244-L246 PolarHBondContact O-N 3.17Å; L246-S248 PolarHBondContact O-N 3.37Å; L246-L249 PolarHBondContact O-N 3.32Å; L246-L250 HydrophobicContact CD1-CD1 4.18Å; L246-L250 HydrophobicContact CD1-CG 4.41Å; L246-L250 HydrophobicContact CG-CD1 3.97Å; L246-L250 WeakPolarHBondContact O-CB 3.41Å; L246-L250 VanDerWaalsContact O-CG 3.3Å; L246-L250 WeakPolarHBondContact O-CG 3.37Å; L246-L250 PolarHBondContact O-N 3.26Å; L246-F362 HydrophobicContact CD2-CB 3.85Å; L246-F362 HydrophobicContact CD2-CD1 3.49Å; L246-F362 VanDerWaalsContact CD2-CD1 3.49Å; L246-F362 HydrophobicContact CD2-CD2 3.82Å; L246-F362 HydrophobicContact CD2-CE1 3.93Å; L246-F362 HydrophobicContact CD2-CE2 4.22Å; L246-F362 HydrophobicContact CD2-CG 3.44Å; L246-F362 VanDerWaalsContact CD2-CG 3.44Å; L246-F362 HydrophobicContact CD2-CZ 4.28Å; L246-L450 HydrophobicContact CD1-CB 3.8Å
247	Y	85.7	Confident	81.9	Confident	12 Å²	12	44.6 Å²	44.6	5%	0.047	24%	0.243	C	C	.	.	H	α-helix	trans	-60.5	-45.6	177.8	173.6	-97	0	0	0	111.6	Q232 A236 L239 L243 Y244 I245 L249 L250 K251 V265 I267 V337	Q232-Y247 WeakPolarHBondContact CB-OH 3.28Å; Q232-Y247 PolarHBondContact OE1-OH 3.07Å; A236-Y247 HydrophobicContact CB-CD1 3.83Å; A236-Y247 HydrophobicContact CB-CE1 3.75Å; L239-Y247 HydrophobicContact CD1-CG 4.48Å; L243-Y247 VanDerWaalsContact O-CB 3.31Å; L243-Y247 WeakPolarHBondContact O-CB 3.41Å; L243-Y247 PolarHBondContact O-N 3.36Å; Y244-Y247 PolarHBondContact O-N 3.44Å; I245-Y247 PolarHBondContact O-N 3.28Å; Y247-L249 PolarHBondContact O-N 2.91Å; Y247-L250 PolarHBondContact O-N 2.86Å; Y247-K251 WeakPolarHBondContact O-CB 3.03Å; Y247-K251 PolarHBondContact O-N 3.44Å; Y247-V265 HydrophobicContact CD2-CG1 3.53Å; Y247-V265 HydrophobicContact CE2-CG1 3.67Å; Y247-I267 HydrophobicContact CD1-CD1 4.44Å; Y247-I267 HydrophobicContact CD2-CD1 3.82Å; Y247-I267 HydrophobicContact CD2-CG1 3.79Å; Y247-I267 HydrophobicContact CE1-CD1 4.35Å; Y247-I267 HydrophobicContact CE2-CD1 3.71Å; Y247-I267 HydrophobicContact CE2-CG1 3.81Å; Y247-I267 HydrophobicContact CG-CD1 4.2Å; Y247-V337 HydrophobicContact CD2-CG1 4.35Å
248	S	84.5	Confident	81	Confident	47 Å²	47	41.7 Å²	41.7	33%	0.329	25%	0.248	S	C	.	.	H	α-helix	trans	-62.4	-43.2	179.9	75.7	0	0	0	0	111.7	Y244 I245 L246 S252	Y244-S248 WeakPolarHBondContact O-CB 3.47Å; Y244-S248 PolarHBondContact O-N 3.2Å; Y244-S248 PolarHBondContact O-OG 2.76Å; I245-S248 PolarHBondContact O-N 3.34Å; I245-S248 PolarHBondContact O-OG 2.82Å; L246-S248 PolarHBondContact O-N 3.37Å; S248-S252 VanDerWaalsContact O-CB 3.26Å; S248-S252 WeakPolarHBondContact O-CB 3.21Å; S248-S252 PolarHBondContact O-N 3.18Å; S248-S252 PolarHBondContact O-OG 3.02Å
249	L	84.8	Confident	80.3	Confident	39 Å²	39	44.4 Å²	44.4	20%	0.204	26%	0.258	C	S	.	.	H	α-helix	trans	-64.5	-50	178.3	-74.1	172.5	0	0	0	111	I245 L246 Y247 K251 S252 Y253 I481	I245-L249 HydrophobicContact CG2-CD1 3.66Å; I245-L249 HydrophobicContact CG2-CG 4.32Å; I245-L249 WeakPolarHBondContact O-CB 3.45Å; I245-L249 VanDerWaalsContact O-CG 3.3Å; I245-L249 WeakPolarHBondContact O-CG 3.22Å; I245-L249 PolarHBondContact O-N 3.48Å; L246-L249 PolarHBondContact O-N 3.32Å; Y247-L249 PolarHBondContact O-N 2.91Å; L249-K251 PolarHBondContact O-N 3.29Å; L249-S252 PolarHBondContact O-N 3.13Å; L249-S252 PolarHBondContact O-OG 3.49Å; L249-Y253 WeakPolarHBondContact O-CB 3.29Å; L249-Y253 PolarHBondContact O-N 2.98Å; L249-I481 HydrophobicContact CB-CD1 3.69Å; L249-I481 HydrophobicContact CD1-CD1 4.09Å; L249-I481 HydrophobicContact CD2-CD1 3.89Å; L249-I481 HydrophobicContact CG-CD1 4.08Å
250	L	83.8	Confident	79.3	Confident	3 Å²	3	51 Å²	51	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-64	-43.2	178.3	-68.6	172.7	0	0	0	112.3	L246 Y247 S252 Y253 I254 V265 L339 W484	L246-L250 HydrophobicContact CD1-CD1 4.18Å; L246-L250 HydrophobicContact CD1-CG 4.41Å; L246-L250 HydrophobicContact CG-CD1 3.97Å; L246-L250 WeakPolarHBondContact O-CB 3.41Å; L246-L250 VanDerWaalsContact O-CG 3.3Å; L246-L250 WeakPolarHBondContact O-CG 3.37Å; L246-L250 PolarHBondContact O-N 3.26Å; Y247-L250 PolarHBondContact O-N 2.86Å; L250-S252 VanDerWaalsContact C-N 3.34Å; L250-S252 PolarHBondContact O-N 2.9Å; L250-Y253 PolarHBondContact O-N 2.85Å; L250-I254 VanDerWaalsContact O-CG1 3.27Å; L250-I254 WeakPolarHBondContact O-CG1 3.3Å; L250-I254 PolarHBondContact O-N 2.81Å; L250-V265 HydrophobicContact CB-CG2 3.77Å; L250-V265 HydrophobicContact CD1-CG2 4.3Å; L250-L339 HydrophobicContact CD1-CB 4.49Å; L250-L339 HydrophobicContact CD1-CD2 4.49Å; L250-L339 HydrophobicContact CD2-CD2 4.24Å; L250-W484 HydrophobicContact CD2-CZ3 4.12Å
251	K	84.2	Confident	78.4	Confident	53 Å²	53	55.3 Å²	55.3	23%	0.23	32%	0.317	C	S	.	.	H	α-helix	trans	-63.8	-41.4	177.8	-177	69.2	-178.9	-173.2	0	111	E229 Y247 L249 S255	E229-K251 IonicContact OE1-NZ 3.59Å; E229-K251 PolarHBondContact OE1-NZ 3.23Å; Y247-K251 WeakPolarHBondContact O-CB 3.03Å; Y247-K251 PolarHBondContact O-N 3.44Å; L249-K251 PolarHBondContact O-N 3.29Å; K251-S255 WeakPolarHBondContact O-CB 3.42Å; K251-S255 PolarHBondContact O-N 3.16Å; K251-S255 PolarHBondContact O-OG 2.65Å
252	S	80.9	Confident	77.7	Confident	40 Å²	40	52.6 Å²	52.6	28%	0.28	29%	0.294	S	S	.	.	H	α-helix	trans	-62.9	-45.1	175.3	77.4	0	0	0	0	111.4	S248 L249 L250 I254 S255 M256	S248-S252 VanDerWaalsContact O-CB 3.26Å; S248-S252 WeakPolarHBondContact O-CB 3.21Å; S248-S252 PolarHBondContact O-N 3.18Å; S248-S252 PolarHBondContact O-OG 3.02Å; L249-S252 PolarHBondContact O-N 3.13Å; L249-S252 PolarHBondContact O-OG 3.49Å; L250-S252 VanDerWaalsContact C-N 3.34Å; L250-S252 PolarHBondContact O-N 2.9Å; S252-I254 PolarHBondContact O-N 3.16Å; S252-S255 PolarHBondContact O-N 3.15Å; S252-M256 WeakPolarHBondContact O-CB 3.41Å; S252-M256 VanDerWaalsContact O-CG 3.24Å; S252-M256 WeakPolarHBondContact O-CG 3.3Å; S252-M256 PolarHBondContact O-N 3.05Å
253	Y	82	Confident	77.4	Confident	18 Å²	18	51.9 Å²	51.9	7%	0.071	29%	0.29	C	S	.	.	H	α-helix	trans	-62	-44.9	177.7	179.4	-93.3	0	0	0	112.4	L249 L250 S255 M256 S257 I481 E482 L485	L249-Y253 WeakPolarHBondContact O-CB 3.29Å; L249-Y253 PolarHBondContact O-N 2.98Å; L250-Y253 PolarHBondContact O-N 2.85Å; Y253-S255 VanDerWaalsContact C-N 3.29Å; Y253-S255 PolarHBondContact O-N 2.8Å; Y253-M256 PolarHBondContact O-N 2.85Å; Y253-S257 WeakPolarHBondContact O-CB 3.43Å; Y253-S257 PolarHBondContact O-N 3.41Å; Y253-I481 HydrophobicContact CD2-CG2 4.26Å; Y253-I481 HydrophobicContact CG-CG2 4.14Å; Y253-E482 HydrophobicContact CE2-CB 3.8Å; Y253-E482 HydrophobicContact CE2-CG 3.97Å; Y253-L485 HydrophobicContact CD1-CD1 4.02Å; Y253-L485 HydrophobicContact CD1-CD2 4.4Å; Y253-L485 HydrophobicContact CE1-CD1 3.81Å; Y253-L485 HydrophobicContact CE1-CD2 3.39Å; Y253-L485 HydrophobicContact CE1-CG 4.17Å; Y253-L485 WeakPolarHBondContact OH-CD2 3.24Å
254	I	80.9	Confident	76.9	Confident	15 Å²	15	54.9 Å²	54.9	8%	0.077	31%	0.31	C	S	.	.	H	α-helix	trans	-63.6	-39.3	178.2	-68.3	172.4	0	0	0	111.1	L250 S252 F263 V265 L339	L250-I254 VanDerWaalsContact O-CG1 3.27Å; L250-I254 WeakPolarHBondContact O-CG1 3.3Å; L250-I254 PolarHBondContact O-N 2.81Å; S252-I254 PolarHBondContact O-N 3.16Å; I254-F263 HydrophobicContact CD1-CB 3.81Å; I254-F263 HydrophobicContact CG1-CB 3.74Å; I254-V265 HydrophobicContact CD1-CB 4.05Å; I254-V265 HydrophobicContact CD1-CG2 3.28Å; I254-L339 HydrophobicContact CD1-CD1 4.45Å
255	S	79.5	Confident	76.7	Confident	71 Å²	71	51.3 Å²	51.3	50%	0.497	30%	0.298	S	S	.	.	H	α-helix	trans	-67.9	-39.4	178.6	-55.6	0	0	0	0	111.6	K251 S252 Y253	K251-S255 WeakPolarHBondContact O-CB 3.42Å; K251-S255 PolarHBondContact O-N 3.16Å; K251-S255 PolarHBondContact O-OG 2.65Å; S252-S255 PolarHBondContact O-N 3.15Å; Y253-S255 VanDerWaalsContact C-N 3.29Å; Y253-S255 PolarHBondContact O-N 2.8Å
256	M	75.6	Confident	76.4	Confident	152 Å²	152	49.5 Å²	49.5	75%	0.749	29%	0.291	S	S	*	.	H	α-helix	trans	-74.9	-40.7	178.5	-72.1	-60.2	-63.1	0	0	113.2	S252 Y253 G258	S252-M256 WeakPolarHBondContact O-CB 3.41Å; S252-M256 VanDerWaalsContact O-CG 3.24Å; S252-M256 WeakPolarHBondContact O-CG 3.3Å; S252-M256 PolarHBondContact O-N 3.05Å; Y253-M256 PolarHBondContact O-N 2.85Å; M256-G258 PolarHBondContact O-N 2.97Å
257	S	68.3	Low	76.2	Confident	41 Å²	41	50 Å²	50	29%	0.287	29%	0.294	S	S	.	.	H	α-helix	trans	-72.4	-15.5	-174.3	-178.5	0	0	0	0	112.9	Y253 K259	Y253-S257 WeakPolarHBondContact O-CB 3.43Å; Y253-S257 PolarHBondContact O-N 3.41Å; S257-K259 PolarHBondContact O-N 3.37Å; S257-K259 WeakPolarHBondContact OG-CD 3.45Å
258	G	62.3	Low	75.9	Confident	63 Å²	63	53.7 Å²	53.7	65%	0.649	31%	0.311	S	S	*	.			trans	65.1	-0.1	-178.1	0	0	0	0	0	114.8	M256 K260	M256-G258 PolarHBondContact O-N 2.97Å; G258-K260 VanDerWaalsContact C-N 3.3Å; G258-K260 PolarHBondContact O-N 3.2Å
259	K	65.9	Low	75.4	Confident	84 Å²	84	53.4 Å²	53.4	37%	0.365	32%	0.315	S	S	.	.			trans	-90.6	50.2	-177.2	-69.8	176.6	159.5	-147.6	0	112.2	S257 S261 E262 F263	S257-K259 PolarHBondContact O-N 3.37Å; S257-K259 WeakPolarHBondContact OG-CD 3.45Å; K259-S261 PolarHBondContact O-N 3.09Å; K259-E262 HydrophobicContact CB-CB 4.21Å; K259-E262 HydrophobicContact CB-CG 4.44Å; K259-E262 WeakPolarHBondContact CD-OE2 3.39Å; K259-E262 IonicContact NZ-OE1 3.96Å; K259-E262 PolarHBondContact NZ-OE1 3.46Å; K259-E262 IonicContact NZ-OE2 3.12Å; K259-E262 PolarHBondContact NZ-OE2 3.12Å; K259-E262 PolarHBondContact O-N 3.47Å; K259-F263 HydrophobicContact CB-CD2 4.4Å; K259-F263 PolarHBondContact O-N 2.94Å
260	K	61.4	Low	74.9	Confident	150 Å²	150	56.4 Å²	56.4	65%	0.652	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-24.6	179.3	-67.5	-173.5	178.6	-174.9	0	113.2	G258	G258-K260 VanDerWaalsContact C-N 3.3Å; G258-K260 PolarHBondContact O-N 3.2Å
261	S	60.2	Low	74.4	Confident	110 Å²	110	58 Å²	58	77%	0.769	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-28.3	177	-52.2	0	0	0	0	113.7	K259 S342	K259-S261 PolarHBondContact O-N 3.09Å; S261-S342 PolarHBondContact O-OG 3.31Å
262	E	67.6	Low	73.7	Confident	32 Å²	32	63.5 Å²	63.5	15%	0.15	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-27.8	-175.8	-66.6	178.1	-156.9	0	0	112.2	K259 V341 S342 P344 Q489	K259-E262 HydrophobicContact CB-CB 4.21Å; K259-E262 HydrophobicContact CB-CG 4.44Å; K259-E262 WeakPolarHBondContact CD-OE2 3.39Å; K259-E262 IonicContact NZ-OE1 3.96Å; K259-E262 PolarHBondContact NZ-OE1 3.46Å; K259-E262 IonicContact NZ-OE2 3.12Å; K259-E262 PolarHBondContact NZ-OE2 3.12Å; K259-E262 PolarHBondContact O-N 3.47Å; E262-V341 CarbonylContact O-C 3.53Å; E262-V341 WeakPolarHBondContact O-CA 3.26Å; E262-S342 WeakPolarHBondContact CA-OG 3.46Å; E262-S342 PolarHBondContact O-N 3.37Å; E262-P344 HydrophobicContact CG-CB 4.47Å; E262-Q489 PolarHBondContact OE2-NE2 3.34Å
263	F	76.4	Confident	73.3	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.018	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	127.6	-174	-59	-77.1	0	0	0	111.1	I254 K259 T340 V341 L485 Q489	I254-F263 HydrophobicContact CD1-CB 3.81Å; I254-F263 HydrophobicContact CG1-CB 3.74Å; K259-F263 HydrophobicContact CB-CD2 4.4Å; K259-F263 PolarHBondContact O-N 2.94Å; F263-T340 WeakPolarHBondContact CA-O 3.32Å; F263-V341 HydrophobicContact CD1-CB 4.28Å; F263-V341 HydrophobicContact CD1-CG1 4.05Å; F263-V341 HydrophobicContact CD1-CG2 3.89Å; F263-V341 HydrophobicContact CE1-CB 4.17Å; F263-V341 HydrophobicContact CE1-CG1 3.51Å; F263-V341 HydrophobicContact CE1-CG2 3.88Å; F263-V341 HydrophobicContact CZ-CG1 4.32Å; F263-L485 HydrophobicContact CD1-CD1 3.78Å; F263-L485 HydrophobicContact CD1-CD2 4.27Å; F263-L485 HydrophobicContact CD1-CG 4.16Å; F263-L485 HydrophobicContact CD2-CD2 4.21Å; F263-L485 HydrophobicContact CE1-CD1 3.6Å; F263-L485 HydrophobicContact CE1-CD2 3.5Å; F263-L485 VanDerWaalsContact CE1-CD2 3.5Å; F263-L485 HydrophobicContact CE1-CG 3.44Å; F263-L485 VanDerWaalsContact CE1-CG 3.44Å; F263-L485 HydrophobicContact CE2-CD2 3.44Å; F263-L485 VanDerWaalsContact CE2-CD2 3.44Å; F263-L485 HydrophobicContact CE2-CG 4.33Å; F263-L485 HydrophobicContact CG-CD1 4.34Å; F263-L485 HydrophobicContact CZ-CD1 4.03Å; F263-L485 HydrophobicContact CZ-CD2 3Å; F263-L485 HydrophobicContact CZ-CG 3.53Å; F263-Q489 HydrophobicContact CE1-CG 4.18Å; F263-Q489 VanDerWaalsContact CE2-NE2 3.32Å; F263-Q489 HydrophobicContact CZ-CG 3.68Å
264	S	74.3	Confident	72.8	Confident	62 Å²	62	65.3 Å²	65.3	43%	0.434	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	140.8	168.6	65.4	0	0	0	0	110.6	T340	S264-T340 PolarHBondContact N-O 2.75Å; S264-T340 PolarHBondContact O-N 3.09Å; S264-T340 WeakPolarHBondContact OG-CB 3.39Å
265	V	80.6	Confident	72.6	Confident	12 Å²	12	69.7 Å²	69.7	7%	0.073	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.8	177.6	174.1	0	0	0	0	108.6	Q232 Y247 L250 I254 V337 L338 L339	Q232-V265 PolarHBondContact NE2-O 3.4Å; Q232-V265 PolarHBondContact OE1-O 3.26Å; Y247-V265 HydrophobicContact CD2-CG1 3.53Å; Y247-V265 HydrophobicContact CE2-CG1 3.67Å; L250-V265 HydrophobicContact CB-CG2 3.77Å; L250-V265 HydrophobicContact CD1-CG2 4.3Å; I254-V265 HydrophobicContact CD1-CB 4.05Å; I254-V265 HydrophobicContact CD1-CG2 3.28Å; V265-V337 HydrophobicContact CG1-CG1 4.11Å; V265-L338 CarbonylContact C-O 3.57Å; V265-L338 VanDerWaalsContact CA-O 3.24Å; V265-L338 WeakPolarHBondContact CA-O 3.18Å; V265-L339 HydrophobicContact CG2-CD1 3.54Å
266	S	79.2	Confident	72.3	Confident	30 Å²	30	68.6 Å²	68.6	21%	0.21	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	160.3	173.9	56.2	0	0	0	0	110.3	L338	S266-L338 PolarHBondContact N-O 2.67Å; S266-L338 PolarHBondContact O-N 2.91Å
267	I	82.9	Confident	72.1	Confident	13 Å²	13	63 Å²	63	7%	0.067	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.2	171.9	-60	163.7	0	0	0	105.7	Q232 L235 A236 L239 Y247 L335 T336	Q232-I267 WeakPolarHBondContact O-CD1 3.35Å; L235-I267 HydrophobicContact CB-CB 4.34Å; L235-I267 HydrophobicContact CB-CD1 4.11Å; L235-I267 HydrophobicContact CB-CG2 4.16Å; L235-I267 HydrophobicContact CD1-CB 4.48Å; A236-I267 HydrophobicContact CB-CD1 3.88Å; L239-I267 HydrophobicContact CD1-CD1 3.72Å; L239-I267 HydrophobicContact CD1-CG1 4.14Å; L239-I267 HydrophobicContact CD2-CG2 4.13Å; L239-I267 HydrophobicContact CG-CD1 4.48Å; Y247-I267 HydrophobicContact CD1-CD1 4.44Å; Y247-I267 HydrophobicContact CD2-CD1 3.82Å; Y247-I267 HydrophobicContact CD2-CG1 3.79Å; Y247-I267 HydrophobicContact CE1-CD1 4.35Å; Y247-I267 HydrophobicContact CE2-CD1 3.71Å; Y247-I267 HydrophobicContact CE2-CG1 3.81Å; Y247-I267 HydrophobicContact CG-CD1 4.2Å; I267-L335 HydrophobicContact CG2-CB 4.38Å; I267-T336 WeakPolarHBondContact CA-O 3.46Å
268	E	78.7	Confident	72.3	Confident	89 Å²	89	63 Å²	63	42%	0.416	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	137.5	174.1	-82	177.7	-158.4	0	0	109.6	T336 L338 R359	E268-T336 PolarHBondContact N-O 3.17Å; E268-T336 PolarHBondContact O-N 2.67Å; E268-T336 PolarHBondContact O-OG1 2.75Å; E268-L338 HydrophobicContact CB-CD1 3.42Å; E268-L338 VanDerWaalsContact CB-CD1 3.42Å; E268-L338 HydrophobicContact CB-CG 4.47Å; E268-L338 HydrophobicContact CG-CD1 3.23Å; E268-L338 WeakPolarHBondContact OE1-CD1 3.47Å; E268-L338 WeakPolarHBondContact OE2-CD1 3.29Å; E268-R359 IonicContact OE1-NH1 2.75Å; E268-R359 PolarHBondContact OE1-NH1 2.9Å; E268-R359 IonicContact OE2-NH1 3.2Å
269	G	74.1	Confident	72.7	Confident	40 Å²	40	65.4 Å²	65.4	41%	0.412	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	150.5	173.7	175.3	0	0	0	0	0	113.5	S271 P334	G269-S271 PolarHBondContact O-N 3.49Å; G269-P334 VanDerWaalsContact CA-O 3.22Å; G269-P334 WeakPolarHBondContact CA-O 3.36Å
270	D	73.9	Confident	72.6	Confident	102 Å²	102	65 Å²	65	55%	0.545	36%	0.361	S	S	.	.			trans	-83.6	110.8	-177.5	-71.2	-27.8	0	0	0	111.4	E272 L273 A274	D270-E272 VanDerWaalsContact C-N 3.27Å; D270-E272 PolarHBondContact O-N 3.21Å; D270-L273 HydrophobicContact CB-CB 4.03Å; D270-L273 HydrophobicContact CB-CD1 3.93Å; D270-L273 HydrophobicContact CB-CG 3.99Å; D270-L273 PolarHBondContact O-N 3.45Å; D270-A274 PolarHBondContact O-N 3.39Å; D270-A274 VanDerWaalsContact O-N 3.07Å
271	S	74.5	Confident	72.4	Confident	38 Å²	38	60.8 Å²	60.8	27%	0.266	35%	0.348	S	S	.	.	H	α-helix	trans	-60.1	-34.6	179.3	-177	0	0	0	0	113.1	L238 G269 K275	L238-S271 VanDerWaalsContact CD1-OG 3.31Å; L238-S271 WeakPolarHBondContact CD1-OG 3.37Å; G269-S271 PolarHBondContact O-N 3.49Å; S271-K275 WeakPolarHBondContact O-CG 3.22Å; S271-K275 PolarHBondContact O-N 2.9Å; S271-K275 VanDerWaalsContact O-N 3.16Å
272	E	69.1	Low	72.2	Confident	167 Å²	167	61.8 Å²	61.8	78%	0.78	34%	0.34	S	S	*	.	H	α-helix	trans	-72.4	-43	-178.8	-63.6	-173.7	174.7	0	0	112	D270 A274 K275 A276	D270-E272 VanDerWaalsContact C-N 3.27Å; D270-E272 PolarHBondContact O-N 3.21Å; E272-A274 VanDerWaalsContact C-N 3.31Å; E272-A274 PolarHBondContact O-N 2.85Å; E272-K275 PolarHBondContact O-N 3.32Å; E272-A276 PolarHBondContact O-N 3.39Å; E272-A276 VanDerWaalsContact O-N 3.1Å
273	L	72.6	Confident	71.5	Confident	97 Å²	97	65.7 Å²	65.7	51%	0.508	36%	0.358	S	S	.	.	H	α-helix	trans	-65.5	-36.9	175.4	-66.1	-179.3	0	0	0	111.1	D270 A276 V277 P334	D270-L273 HydrophobicContact CB-CB 4.03Å; D270-L273 HydrophobicContact CB-CD1 3.93Å; D270-L273 HydrophobicContact CB-CG 3.99Å; D270-L273 PolarHBondContact O-N 3.45Å; L273-A276 PolarHBondContact O-N 3.26Å; L273-V277 VanDerWaalsContact O-CG2 3.3Å; L273-V277 WeakPolarHBondContact O-CG2 3.49Å; L273-V277 PolarHBondContact O-N 2.88Å; L273-P334 HydrophobicContact CB-CB 3.84Å; L273-P334 HydrophobicContact CB-CG 3.95Å
274	A	70	Confident	70.2	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-62	-44.2	176	0	0	0	0	0	112.4	L238 D270 E272 A276 V277 N278 P334 L335	L238-A274 HydrophobicContact CB-CB 4.26Å; D270-A274 PolarHBondContact O-N 3.39Å; D270-A274 VanDerWaalsContact O-N 3.07Å; E272-A274 VanDerWaalsContact C-N 3.31Å; E272-A274 PolarHBondContact O-N 2.85Å; A274-A276 VanDerWaalsContact C-N 3.33Å; A274-A276 PolarHBondContact O-N 2.78Å; A274-V277 PolarHBondContact O-N 3.39Å; A274-N278 WeakPolarHBondContact O-CB 3.41Å; A274-N278 VanDerWaalsContact O-CG 3.28Å; A274-N278 PolarHBondContact O-N 3.45Å; A274-P334 HydrophobicContact CB-CG 3.97Å; A274-L335 HydrophobicContact CB-CD1 3.62Å; A274-L335 HydrophobicContact CB-CD2 4.14Å; A274-L335 HydrophobicContact CB-CG 3.6Å
275	K	76.7	Confident	68.9	Low	107 Å²	107	74.3 Å²	74.3	47%	0.465	40%	0.399	S	S	.	.	H	α-helix	trans	-60.8	-42.6	174.6	-73.4	173.9	-175.1	175.2	0	111.7	L238 S271 E272 Q279	L238-K275 HydrophobicContact CD1-CG 4.11Å; L238-K275 HydrophobicContact CD2-CD 4.49Å; L238-K275 HydrophobicContact CD2-CG 3.52Å; L238-K275 HydrophobicContact CG-CG 4.49Å; S271-K275 WeakPolarHBondContact O-CG 3.22Å; S271-K275 PolarHBondContact O-N 2.9Å; S271-K275 VanDerWaalsContact O-N 3.16Å; E272-K275 PolarHBondContact O-N 3.32Å; K275-Q279 WeakPolarHBondContact O-CB 3.46Å; K275-Q279 VanDerWaalsContact O-CG 3.24Å; K275-Q279 WeakPolarHBondContact O-CG 3.36Å; K275-Q279 PolarHBondContact O-N 2.83Å
276	A	74.7	Confident	67.2	Low	47 Å²	47	77.7 Å²	77.7	39%	0.388	42%	0.423	S	S	.	.	H	α-helix	trans	-64.7	-44.2	177.9	0	0	0	0	0	112	E272 L273 A274 Q279 T280	E272-A276 PolarHBondContact O-N 3.39Å; E272-A276 VanDerWaalsContact O-N 3.1Å; L273-A276 PolarHBondContact O-N 3.26Å; A274-A276 VanDerWaalsContact C-N 3.33Å; A274-A276 PolarHBondContact O-N 2.78Å; A276-Q279 PolarHBondContact O-N 3.44Å; A276-T280 PolarHBondContact O-N 3.38Å; A276-T280 PolarHBondContact O-OG1 3.43Å; A276-T280 VanDerWaalsContact O-OG1 3.04Å
277	V	71.1	Confident	65.4	Low	34 Å²	34	83.4 Å²	83.4	21%	0.206	45%	0.447	C	S	.	.	H	α-helix	trans	-63.8	-44.1	178.5	171.4	0	0	0	0	111.3	L273 A274 Q279 T280 T281 P334 L366	L273-V277 VanDerWaalsContact O-CG2 3.3Å; L273-V277 WeakPolarHBondContact O-CG2 3.49Å; L273-V277 PolarHBondContact O-N 2.88Å; A274-V277 PolarHBondContact O-N 3.39Å; V277-Q279 PolarHBondContact O-N 3.4Å; V277-T280 VanDerWaalsContact CA-OG1 3.32Å; V277-T280 WeakPolarHBondContact CA-OG1 3.47Å; V277-T280 PolarHBondContact O-N 3.35Å; V277-T280 PolarHBondContact O-OG1 2.98Å; V277-T281 PolarHBondContact O-N 2.95Å; V277-T281 PolarHBondContact O-OG1 2.87Å; V277-P334 HydrophobicContact CG2-CG 4.29Å; V277-L366 HydrophobicContact CG1-CD1 3.91Å; V277-L366 HydrophobicContact CG1-CD2 4.39Å
278	N	71.9	Confident	63.3	Low	42 Å²	42	87.8 Å²	87.8	23%	0.225	48%	0.478	C	S	.	.	H	α-helix	trans	-62.7	-43.2	176.6	-68.9	-10.2	0	0	0	111.1	L238 A274 T280 T281 E282	L238-N278 PolarHBondContact O-ND2 2.94Å; A274-N278 WeakPolarHBondContact O-CB 3.41Å; A274-N278 VanDerWaalsContact O-CG 3.28Å; A274-N278 PolarHBondContact O-N 3.45Å; N278-T280 PolarHBondContact O-N 2.96Å; N278-T281 PolarHBondContact O-N 3.15Å; N278-E282 WeakPolarHBondContact O-CG 3.36Å; N278-E282 PolarHBondContact O-N 3.31Å
279	Q	71.1	Confident	61.1	Low	114 Å²	114	87.8 Å²	87.8	53%	0.533	49%	0.488	S	S	.	.	H	α-helix	trans	-62.5	-40.9	175.3	-74.5	174.5	6.4	0	0	113	K275 A276 V277 T281 Q283	K275-Q279 WeakPolarHBondContact O-CB 3.46Å; K275-Q279 VanDerWaalsContact O-CG 3.24Å; K275-Q279 WeakPolarHBondContact O-CG 3.36Å; K275-Q279 PolarHBondContact O-N 2.83Å; A276-Q279 PolarHBondContact O-N 3.44Å; V277-Q279 PolarHBondContact O-N 3.4Å; Q279-T281 VanDerWaalsContact C-N 3.32Å; Q279-T281 PolarHBondContact O-N 3.48Å; Q279-Q283 WeakPolarHBondContact O-CB 3.49Å; Q279-Q283 VanDerWaalsContact O-CG 3.31Å; Q279-Q283 WeakPolarHBondContact O-CG 3.19Å; Q279-Q283 PolarHBondContact O-N 3.18Å
280	T	63.7	Low	59.1	Low	76 Å²	76	91.6 Å²	91.6	47%	0.466	51%	0.506	S	S	.	.	H	α-helix	trans	-67.9	-32.5	175.8	43.3	0	0	0	0	112.7	A276 V277 N278 T284	A276-T280 PolarHBondContact O-N 3.38Å; A276-T280 PolarHBondContact O-OG1 3.43Å; A276-T280 VanDerWaalsContact O-OG1 3.04Å; V277-T280 VanDerWaalsContact CA-OG1 3.32Å; V277-T280 WeakPolarHBondContact CA-OG1 3.47Å; V277-T280 PolarHBondContact O-N 3.35Å; V277-T280 PolarHBondContact O-OG1 2.98Å; N278-T280 PolarHBondContact O-N 2.96Å; T280-T284 WeakPolarHBondContact O-CB 3.1Å; T280-T284 PolarHBondContact O-N 2.78Å; T280-T284 PolarHBondContact O-OG1 2.99Å
281	T	57.5	Low	57.2	Low	61 Å²	61	94.6 Å²	94.6	37%	0.374	52%	0.517	S	S	.	.	H	α-helix	trans	-70.3	-44	177.7	-51	0	0	0	0	110.2	V277 N278 Q279 Q283 T284 E285	V277-T281 PolarHBondContact O-N 2.95Å; V277-T281 PolarHBondContact O-OG1 2.87Å; N278-T281 PolarHBondContact O-N 3.15Å; Q279-T281 VanDerWaalsContact C-N 3.32Å; Q279-T281 PolarHBondContact O-N 3.48Å; T281-Q283 PolarHBondContact O-N 2.77Å; T281-T284 PolarHBondContact O-N 2.96Å; T281-T284 VanDerWaalsContact O-N 3.16Å; T281-E285 PolarHBondContact O-N 2.81Å
282	E	55.2	Low	55.5	Low	131 Å²	131	100.1 Å²	100.1	61%	0.612	54%	0.538	S	S	*	.	H	α-helix	trans	-61.4	-39.7	174.3	-72.4	175.2	-177.3	0	0	112.5	N278 T284 S286	N278-E282 WeakPolarHBondContact O-CG 3.36Å; N278-E282 PolarHBondContact O-N 3.31Å; E282-T284 VanDerWaalsContact C-N 3.34Å; E282-S286 PolarHBondContact O-N 3.12Å; E282-S286 VanDerWaalsContact O-N 3.16Å; E282-S286 PolarHBondContact O-OG 3.42Å
283	Q	52.4	Low	54	Low	113 Å²	113	97 Å²	97	53%	0.528	54%	0.541	S	S	.	.	H	α-helix	trans	-69.9	-28.9	175.9	-73.3	178.2	9.1	0	0	113.1	Q279 T281 Q287	Q279-Q283 WeakPolarHBondContact O-CB 3.49Å; Q279-Q283 VanDerWaalsContact O-CG 3.31Å; Q279-Q283 WeakPolarHBondContact O-CG 3.19Å; Q279-Q283 PolarHBondContact O-N 3.18Å; T281-Q283 PolarHBondContact O-N 2.77Å; Q283-Q287 WeakPolarHBondContact O-CB 3.48Å; Q283-Q287 WeakPolarHBondContact O-CG 3.48Å; Q283-Q287 PolarHBondContact O-N 3.21Å
284	T	49.5	Very low	52.5	Low	104 Å²	104	99.7 Å²	99.7	64%	0.638	56%	0.556	S	S	*	*	H	α-helix	trans	-77.8	-36	178.4	-51.6	0	0	0	0	111.3	T280 T281 E282	T280-T284 WeakPolarHBondContact O-CB 3.1Å; T280-T284 PolarHBondContact O-N 2.78Å; T280-T284 PolarHBondContact O-OG1 2.99Å; T281-T284 PolarHBondContact O-N 2.96Å; T281-T284 VanDerWaalsContact O-N 3.16Å; E282-T284 VanDerWaalsContact C-N 3.34Å
285	E	47.4	Very low	51.2	Low	144 Å²	144	106.3 Å²	106.3	67%	0.673	59%	0.592	S	S	*	*	H	α-helix	trans	-70.5	-34.2	175.2	-72.7	-177.1	170.4	0	0	112.5	T281 S288	T281-E285 PolarHBondContact O-N 2.81Å; E285-S288 PolarHBondContact O-OG 2.82Å
286	S	44.4	Very low	49.7	Very low	83 Å²	83	106.5 Å²	106.5	58%	0.58	61%	0.606	S	S	*	*	H	α-helix	trans	-85	-6.2	179.1	48.2	0	0	0	0	115.3	E282	E282-S286 PolarHBondContact O-N 3.12Å; E282-S286 VanDerWaalsContact O-N 3.16Å; E282-S286 PolarHBondContact O-OG 3.42Å
287	Q	42.9	Very low	48.2	Very low	150 Å²	150	111.3 Å²	111.3	70%	0.701	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	9.1	176	-74.8	-179.9	12.2	0	0	114.4	Q283 S289	Q283-Q287 WeakPolarHBondContact O-CB 3.48Å; Q283-Q287 WeakPolarHBondContact O-CG 3.48Å; Q283-Q287 PolarHBondContact O-N 3.21Å; Q287-S289 PolarHBondContact O-N 2.92Å
288	S	38.2	Very low	47	Very low	104 Å²	104	116.6 Å²	116.6	73%	0.727	66%	0.657	S	S	*	*			trans	-83.8	21.9	175	61.1	0	0	0	0	114.5	E285	E285-S288 PolarHBondContact O-OG 2.82Å
289	S	32.2	Very low	45.7	Very low	90 Å²	90	121 Å²	121	63%	0.629	68%	0.681	S	S	*	*	S	Bend	trans	-124.8	114.3	166.4	55.3	0	0	0	0	109.9	Q287 Q291	Q287-S289 PolarHBondContact O-N 2.92Å; S289-Q291 PolarHBondContact O-N 2.8Å
290	P	32.4	Very low	44.3	Very low	120 Å²	120	122.7 Å²	122.7	78%	0.779	69%	0.694	S	S	*	*			trans	-82.5	107.4	179.2	29.6	-28.1	0	0	0	109.7
291	Q	34.9	Very low	43.2	Very low	165 Å²	165	122.6 Å²	122.6	77%	0.771	71%	0.708	S	S	*	*			trans	-170.9	130.5	153.1	-109.8	164	-69.2	0	0	114.1	S289	S289-Q291 PolarHBondContact O-N 2.8Å
292	E	37.1	Very low	42.4	Very low	153 Å²	153	129.4 Å²	129.4	72%	0.715	74%	0.735	S	S	*	*			trans	71.4	96	144.7	-67.4	168.9	-145.7	0	0	116.5
293	A	38.6	Very low	41.5	Very low	102 Å²	102	126.9 Å²	126.9	84%	0.843	75%	0.745	S	S	*	*				46	82.8	75	0	0	0	0	0	111.6
294	D	41.2	Very low	40.7	Very low	154 Å²	154	128.8 Å²	128.8	82%	0.824	76%	0.758	S	S	*	*			trans	-137.4	128.5	153.9	-151.9	5	0	0	0	110.8
295	D	42.4	Very low	40.2	Very low	139 Å²	139	132.4 Å²	132.4	74%	0.743	77%	0.765	S	S	*	*			trans	-103.2	127	-172.1	179.1	16.9	0	0	0	105.9
296	S	44.6	Very low	39.9	Very low	111 Å²	111	134.1 Å²	134.1	78%	0.776	77%	0.77	S	S	*	*			trans	-152	79.5	177.2	-63.9	0	0	0	0	110.5
297	D	42.8	Very low	39.7	Very low	147 Å²	147	140.8 Å²	140.8	79%	0.786	78%	0.783	S	S	*	*			trans	-57.2	119.7	157.7	-157.4	17	0	0	0	111.3
298	V	47.2	Very low	39.4	Very low	145 Å²	145	143.6 Å²	143.6	88%	0.879	79%	0.793	S	S	*	*			trans	-152.6	131.3	145.9	-163.6	0	0	0	0	111.9
299	D	43.7	Very low	39.1	Very low	134 Å²	134	148.6 Å²	148.6	72%	0.717	80%	0.801	S	S	*	*			trans	-61.1	173.8	-174.5	-133.5	-21.9	0	0	0	119.7
300	D	43	Very low	39.2	Very low	150 Å²	150	154.1 Å²	154.1	80%	0.802	81%	0.814	S	S	*	*			trans	90.8	120.6	146.7	-78	-34.5	0	0	0	122.8
301	G	39.3	Very low	39.4	Very low	74 Å²	74	160 Å²	160	76%	0.763	82%	0.821	S	S	*	*			trans	134.2	70.1	135	0	0	0	0	0	119.7
302	E	40.3	Very low	39.2	Very low	205 Å²	205	163 Å²	163	96%	0.958	83%	0.827	S	S	*	*			trans	38.3	128.5	144	-67.3	-169	133.9	0	0	123
303	G	38	Very low	39	Very low	78 Å²	78	160.6 Å²	160.6	80%	0.804	83%	0.833	S	S	*	*			trans	179.9	43.1	166.6	0	0	0	0	0	119.3
304	N	34.3	Very low	38.5	Very low	152 Å²	152	162 Å²	162	81%	0.813	83%	0.831	S	S	*	*			trans	-3.1	120.9	161	-111.3	-28.2	0	0	0	119.3
305	K	40.3	Very low	38.3	Very low	181 Å²	181	164 Å²	164	79%	0.787	84%	0.835	S	S	*	*				166.7	123.1	117.6	-89.9	158.1	-171.2	172.1	0	115.2
306	K	41.1	Very low	37.8	Very low	179 Å²	179	160.5 Å²	160.5	78%	0.778	83%	0.833	S	S	*	*			trans	93.4	101.8	142.8	-65.8	171.2	-179.1	179.7	0	120.5
307	R	38.8	Very low	37.3	Very low	223 Å²	223	163.1 Å²	163.1	84%	0.842	84%	0.836	S	S	*	*				73.7	96.2	121.2	-73.2	179.3	149.1	179.8	-5.5	119
308	K	37.5	Very low	37	Very low	210 Å²	210	163.5 Å²	163.5	91%	0.913	84%	0.838	S	S	*	*				165	116.6	98.8	-91.3	175	179.3	178.9	0	111.3
309	K	30.5	Very low	36.3	Very low	209 Å²	209	161.6 Å²	161.6	91%	0.909	82%	0.823	S	S	*	*			trans	-86.1	136	166.9	-88.9	176.6	170.8	173.2	0	110.6
310	K	35.6	Very low	35.8	Very low	206 Å²	206	160.4 Å²	160.4	90%	0.896	82%	0.821	S	S	*	*			trans	-151.3	93.3	149.3	-92.3	-172.1	173.2	-175	0	105.8
311	R	35.4	Very low	35.5	Very low	244 Å²	244	160.6 Å²	160.6	92%	0.921	82%	0.822	S	S	*	*				52.2	113.2	90.3	-89.5	-170.5	175.1	177.4	-1.2	114.5
312	Y	31.9	Very low	35.1	Very low	228 Å²	228	164.4 Å²	164.4	89%	0.894	82%	0.817	S	S	*	*			trans	-47.2	144.5	165.5	-75.2	-97.4	0	0	0	113.8
313	A	31.6	Very low	34.7	Very low	102 Å²	102	163.3 Å²	163.3	84%	0.843	81%	0.812	S	S	*	*			trans	-154.1	110.5	150.9	0	0	0	0	0	108.5
314	T	29.1	Very low	34.3	Very low	131 Å²	131	167.6 Å²	167.6	80%	0.804	81%	0.809	S	S	*	*			trans	-82.8	123.9	165.2	-58.2	0	0	0	0	107.4
315	E	36	Very low	34.1	Very low	195 Å²	195	165.1 Å²	165.1	91%	0.911	80%	0.799	S	S	*	*			trans	-167.2	131.1	162.1	-113.7	171.2	-156.2	0	0	111.5
316	G	33.1	Very low	33.6	Very low	67 Å²	67	162.6 Å²	162.6	69%	0.691	80%	0.795	S	S	*	*			trans	69.1	97.9	157.1	0	0	0	0	0	117
317	I	34.5	Very low	33.3	Very low	165 Å²	165	161.8 Å²	161.8	85%	0.846	79%	0.794	S	S	*	*				46.1	89.4	81.6	-52.6	173.7	0	0	0	111.2
318	D	35.6	Very low	33.5	Very low	155 Å²	155	159.4 Å²	159.4	83%	0.829	79%	0.789	S	S	*	*			trans	-136.4	123.8	135.8	-138.1	-7.1	0	0	0	108.6
319	D	32.9	Very low	34.2	Very low	106 Å²	106	155.1 Å²	155.1	57%	0.567	78%	0.781	S	S	*	*			trans	-109.4	61.1	-156.6	-149.3	-10.9	0	0	0	107.8	K322	D319-K322 VanDerWaalsContact OD1-CE 3.25Å; D319-K322 WeakPolarHBondContact OD1-CE 3.47Å; D319-K322 IonicContact OD1-NZ 2.69Å; D319-K322 PolarHBondContact OD1-NZ 2.81Å; D319-K322 IonicContact OD2-NZ 3.74Å
320	T	33.6	Very low	35.6	Very low	108 Å²	108	147.5 Å²	147.5	66%	0.663	75%	0.75	S	S	*	*			trans	-150.6	81.3	176.4	55.9	0	0	0	0	110
321	D	35.7	Very low	37.1	Very low	154 Å²	154	144.3 Å²	144.3	82%	0.824	74%	0.736	S	S	*	*			trans	-172.2	48	155.1	-86.9	-20.8	0	0	0	109.5	E323	D321-E323 PolarHBondContact O-N 2.92Å
322	K	31.6	Very low	38.8	Very low	154 Å²	154	135.9 Å²	135.9	67%	0.67	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	56.4	174	-72.9	176.5	-179.5	146.5	0	111.4	D319	D319-K322 VanDerWaalsContact OD1-CE 3.25Å; D319-K322 WeakPolarHBondContact OD1-CE 3.47Å; D319-K322 IonicContact OD1-NZ 2.69Å; D319-K322 PolarHBondContact OD1-NZ 2.81Å; D319-K322 IonicContact OD2-NZ 3.74Å
323	E	30.6	Very low	40.8	Very low	182 Å²	182	125.2 Å²	125.2	85%	0.85	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.3	-1.5	171.9	-74.2	-166.7	163.5	0	0	115.1	D321	D321-E323 PolarHBondContact O-N 2.92Å
324	F	30.1	Very low	42.9	Very low	168 Å²	168	121.9 Å²	121.9	74%	0.737	63%	0.634	S	S	*	*	S	Bend	trans	-94.9	17.1	176.4	-86.4	-81.2	0	0	0	115.4
325	T	30.8	Very low	45.4	Very low	100 Å²	100	115.6 Å²	115.6	61%	0.613	60%	0.596	S	S	*	*			trans	-100.3	17.1	-174.1	53.3	0	0	0	0	115.8
326	N	29.1	Very low	47.5	Very low	129 Å²	129	108 Å²	108	69%	0.69	56%	0.562	S	S	*	*	S	Bend	trans	-106.4	-1.6	174.7	-78.8	-21.8	0	0	0	115
327	E	36.3	Very low	49.9	Very low	162 Å²	162	104.8 Å²	104.8	76%	0.757	53%	0.529	S	S	*	.			trans	-94.1	5.9	-179.2	-65.2	-175.4	160.7	0	0	114.5
328	K	41.9	Very low	52.2	Low	172 Å²	172	97 Å²	97	75%	0.748	49%	0.489	S	S	*	.			trans	-91.6	93.3	169.8	-65.9	179	-178.2	178	0	108.5
329	T	52.3	Low	54.4	Low	120 Å²	120	89.6 Å²	89.6	74%	0.736	45%	0.45	S	S	*	.	S	Bend	trans	177.3	8.5	152.4	27.5	0	0	0	0	117.2
330	I	59.6	Low	56.7	Low	49 Å²	49	85.8 Å²	85.8	25%	0.251	43%	0.431	S	S	.	.			trans	-141.9	107.6	171.4	-52.5	176.5	0	0	0	110.4	F332 M365 I432 I440	I330-F332 HydrophobicContact CB-CE2 4.25Å; I330-F332 HydrophobicContact CG2-CD2 4.05Å; I330-F332 HydrophobicContact CG2-CE1 4.33Å; I330-F332 HydrophobicContact CG2-CE2 3.44Å; I330-F332 VanDerWaalsContact CG2-CE2 3.44Å; I330-F332 HydrophobicContact CG2-CZ 3.59Å; I330-M365 HydrophobicContact CG2-CE 3.83Å; I330-M365 HydrophobicContact CG2-CG 4.12Å; I330-M365 HydrophobicContact CG2-SD 3.97Å; I330-I432 HydrophobicContact CD1-CD1 4.39Å; I330-I440 HydrophobicContact CD1-CD1 3.92Å; I330-I440 HydrophobicContact CD1-CG1 4.32Å; I330-I440 HydrophobicContact CD1-CG2 4.29Å
331	K	66.8	Low	58.8	Low	139 Å²	139	80.7 Å²	80.7	60%	0.604	40%	0.399	S	S	*	.			trans	-93.3	115.2	174	-65.6	177.8	-177.5	174.2	0	110.8	L366 D367	K331-L366 HydrophobicContact CB-CB 4.46Å; K331-L366 HydrophobicContact CB-CD1 4.32Å; K331-L366 PolarHBondContact O-N 3.27Å; K331-D367 PolarHBondContact N-OD2 3Å
332	F	71.2	Confident	60.6	Low	67 Å²	67	75 Å²	75	29%	0.294	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	149.5	169.5	-67.6	-81.5	0	0	0	110.9	I330 A363 W364 M365 T372 I440	I330-F332 HydrophobicContact CB-CE2 4.25Å; I330-F332 HydrophobicContact CG2-CD2 4.05Å; I330-F332 HydrophobicContact CG2-CE1 4.33Å; I330-F332 HydrophobicContact CG2-CE2 3.44Å; I330-F332 VanDerWaalsContact CG2-CE2 3.44Å; I330-F332 HydrophobicContact CG2-CZ 3.59Å; F332-A363 HydrophobicContact CD1-CB 4.07Å; F332-W364 CarbonylContact C-O 3.59Å; F332-W364 WeakPolarHBondContact CA-O 3.49Å; F332-M365 HydrophobicContact CD1-CG 3.58Å; F332-M365 HydrophobicContact CE1-CG 3.22Å; F332-M365 HydrophobicContact CE1-SD 3.84Å; F332-M365 HydrophobicContact CZ-CG 3.91Å; F332-M365 HydrophobicContact CZ-SD 4.09Å; F332-T372 HydrophobicContact CE1-CG2 4.45Å; F332-I440 HydrophobicContact CZ-CB 4.28Å; F332-I440 HydrophobicContact CZ-CG2 4.03Å
333	H	75	Confident	62.3	Low	4 Å²	4	68.4 Å²	68.4	2%	0.019	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	135.9	165.8	-171.6	-92.1	0	0	0	109.7	P240 L335 W364 L366	P240-H333 VanDerWaalsContact CD-CE1 3.5Å; P240-H333 WeakPolarHBondContact CD-CE1 3.47Å; P240-H333 HydrophobicContact CG-CB 4.2Å; P240-H333 VanDerWaalsContact CG-CD2 3.49Å; P240-H333 WeakPolarHBondContact CG-CD2 3.39Å; H333-L335 PolarHBondContact ND1-N 2.82Å; H333-L335 PolarHBondContact ND1-O 3.43Å; H333-L335 PolarHBondContact O-N 2.63Å; H333-W364 HydrophobicContact CB-CB 3.82Å; H333-W364 HydrophobicContact CB-CG 4.39Å; H333-W364 PolarHBondContact N-O 3.19Å; H333-L366 HydrophobicContact CB-CD2 4.48Å
334	P	76.1	Confident	63.8	Low	32 Å²	32	61.4 Å²	61.4	21%	0.208	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	-18.9	-174.7	25.8	-35.3	0	0	0	114.1	G269 L273 A274 V277	G269-P334 VanDerWaalsContact CA-O 3.22Å; G269-P334 WeakPolarHBondContact CA-O 3.36Å; L273-P334 HydrophobicContact CB-CB 3.84Å; L273-P334 HydrophobicContact CB-CG 3.95Å; A274-P334 HydrophobicContact CB-CG 3.97Å; V277-P334 HydrophobicContact CG2-CG 4.29Å
335	L	80.6	Confident	65	Low	0 Å²	0	61 Å²	61	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	135	172.3	-56.6	177.1	0	0	0	111.5	L238 L239 I267 A274 H333	L238-L335 HydrophobicContact CB-CD1 3.55Å; L239-L335 HydrophobicContact CD2-CB 3.51Å; L239-L335 HydrophobicContact CD2-CD1 4.01Å; L239-L335 HydrophobicContact CD2-CG 4.41Å; L239-L335 HydrophobicContact CG-CD1 4.39Å; I267-L335 HydrophobicContact CG2-CB 4.38Å; A274-L335 HydrophobicContact CB-CD1 3.62Å; A274-L335 HydrophobicContact CB-CD2 4.14Å; A274-L335 HydrophobicContact CB-CG 3.6Å; H333-L335 PolarHBondContact ND1-N 2.82Å; H333-L335 PolarHBondContact ND1-O 3.43Å; H333-L335 PolarHBondContact O-N 2.63Å
336	T	80.4	Confident	66	Low	34 Å²	34	63.8 Å²	63.8	21%	0.209	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.6	176.8	62.3	0	0	0	0	110.4	I267 E268 F362 A363	I267-T336 WeakPolarHBondContact CA-O 3.46Å; E268-T336 PolarHBondContact N-O 3.17Å; E268-T336 PolarHBondContact O-N 2.67Å; E268-T336 PolarHBondContact O-OG1 2.75Å; T336-F362 CarbonylContact C-O 3.52Å; T336-F362 VanDerWaalsContact CA-O 3.29Å; T336-F362 WeakPolarHBondContact CA-O 3.46Å; T336-F362 WeakPolarHBondContact CB-O 3.45Å; T336-A363 HydrophobicContact CG2-CB 3.85Å
337	V	82.6	Confident	67	Low	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	129.2	174.9	179.3	0	0	0	0	108.2	L239 L243 Y247 V265 F362	L239-V337 HydrophobicContact CD1-CG2 3.85Å; L239-V337 HydrophobicContact CD2-CG2 4.2Å; L243-V337 HydrophobicContact CB-CG2 4.09Å; L243-V337 HydrophobicContact CD2-CG2 4.31Å; Y247-V337 HydrophobicContact CD2-CG1 4.35Å; V265-V337 HydrophobicContact CG1-CG1 4.11Å; V337-F362 HydrophobicContact CB-CB 4.26Å; V337-F362 PolarHBondContact N-O 3.04Å; V337-F362 WeakPolarHBondContact O-CD2 3.32Å; V337-F362 PolarHBondContact O-N 3.12Å
338	L	83.9	Confident	67.7	Low	2 Å²	2	57.6 Å²	57.6	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.1	-179.3	-73.6	164.3	0	0	0	110.6	V265 S266 E268 R359 L360	V265-L338 CarbonylContact C-O 3.57Å; V265-L338 VanDerWaalsContact CA-O 3.24Å; V265-L338 WeakPolarHBondContact CA-O 3.18Å; S266-L338 PolarHBondContact N-O 2.67Å; S266-L338 PolarHBondContact O-N 2.91Å; E268-L338 HydrophobicContact CB-CD1 3.42Å; E268-L338 VanDerWaalsContact CB-CD1 3.42Å; E268-L338 HydrophobicContact CB-CG 4.47Å; E268-L338 HydrophobicContact CG-CD1 3.23Å; E268-L338 WeakPolarHBondContact OE1-CD1 3.47Å; E268-L338 WeakPolarHBondContact OE2-CD1 3.29Å; L338-R359 HydrophobicContact CD2-CG 3.65Å; L338-L360 CarbonylContact C-O 3.57Å; L338-L360 VanDerWaalsContact CA-O 3.29Å; L338-L360 WeakPolarHBondContact CA-O 3.16Å
339	L	81.8	Confident	68.3	Low	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	117	170	175.3	68.3	0	0	0	108.5	L250 I254 V265 V341 R359 L360 F362 W484	L250-L339 HydrophobicContact CD1-CB 4.49Å; L250-L339 HydrophobicContact CD1-CD2 4.49Å; L250-L339 HydrophobicContact CD2-CD2 4.24Å; I254-L339 HydrophobicContact CD1-CD1 4.45Å; V265-L339 HydrophobicContact CG2-CD1 3.54Å; L339-V341 HydrophobicContact CD2-CG2 4.08Å; L339-V341 HydrophobicContact CG-CG2 3.96Å; L339-R359 WeakPolarHBondContact O-CA 3.36Å; L339-L360 HydrophobicContact CB-CB 4.29Å; L339-L360 HydrophobicContact CD2-CD1 4.02Å; L339-L360 PolarHBondContact N-O 2.77Å; L339-L360 PolarHBondContact O-N 3.11Å; L339-F362 HydrophobicContact CB-CE2 4.09Å; L339-W484 HydrophobicContact CD2-CH2 3.57Å; L339-W484 HydrophobicContact CD2-CZ3 3.87Å
340	T	80.4	Confident	68.1	Low	26 Å²	26	47.4 Å²	47.4	16%	0.16	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	120.5	171.2	-53.3	0	0	0	0	109.1	F263 S264 I358	F263-T340 WeakPolarHBondContact CA-O 3.32Å; S264-T340 PolarHBondContact N-O 2.75Å; S264-T340 PolarHBondContact O-N 3.09Å; S264-T340 WeakPolarHBondContact OG-CB 3.39Å; T340-I358 CarbonylContact C-O 3.57Å; T340-I358 VanDerWaalsContact CA-O 3.29Å; T340-I358 WeakPolarHBondContact CA-O 3.12Å
341	V	77.9	Confident	67.6	Low	1 Å²	1	47 Å²	47	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	120.4	177.3	-177.5	0	0	0	0	108.2	E262 F263 L339 S357 I358 L360 L488 Q489 I492	E262-V341 CarbonylContact O-C 3.53Å; E262-V341 WeakPolarHBondContact O-CA 3.26Å; F263-V341 HydrophobicContact CD1-CB 4.28Å; F263-V341 HydrophobicContact CD1-CG1 4.05Å; F263-V341 HydrophobicContact CD1-CG2 3.89Å; F263-V341 HydrophobicContact CE1-CB 4.17Å; F263-V341 HydrophobicContact CE1-CG1 3.51Å; F263-V341 HydrophobicContact CE1-CG2 3.88Å; F263-V341 HydrophobicContact CZ-CG1 4.32Å; L339-V341 HydrophobicContact CD2-CG2 4.08Å; L339-V341 HydrophobicContact CG-CG2 3.96Å; V341-S357 CarbonylContact O-C 3.52Å; V341-S357 VanDerWaalsContact O-CA 3.32Å; V341-S357 WeakPolarHBondContact O-CA 3.48Å; V341-I358 PolarHBondContact N-O 3.32Å; V341-I358 PolarHBondContact O-N 3.44Å; V341-L360 HydrophobicContact CG2-CD1 4.39Å; V341-L488 HydrophobicContact CB-CD2 4.32Å; V341-L488 HydrophobicContact CG1-CD2 4.06Å; V341-L488 HydrophobicContact CG2-CD2 3.87Å; V341-Q489 HydrophobicContact CG1-CG 4.15Å; V341-I492 HydrophobicContact CG1-CD1 4.32Å
342	S	72.9	Confident	66.8	Low	34 Å²	34	41 Å²	41	24%	0.238	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	139.9	171.8	88.3	0	0	0	0	110.1	S261 E262	S261-S342 PolarHBondContact O-OG 3.31Å; E262-S342 WeakPolarHBondContact CA-OG 3.46Å; E262-S342 PolarHBondContact O-N 3.37Å
343	V	68.1	Low	65.6	Low	15 Å²	15	46 Å²	46	9%	0.091	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-76.5	131.4	176.4	178.3	0	0	0	0	108.6	K345 F356 I492 I493 L496	V343-K345 PolarHBondContact O-N 2.94Å; V343-F356 HydrophobicContact CG2-CD1 3.93Å; V343-F356 PolarHBondContact N-O 2.85Å; V343-F356 VanDerWaalsContact N-O 3.14Å; V343-I492 HydrophobicContact CG2-CG2 3.77Å; V343-I493 HydrophobicContact CG1-CG1 4.03Å; V343-L496 HydrophobicContact CG2-CD1 4.2Å
344	P	62.7	Low	64.4	Low	35 Å²	35	52.3 Å²	52.3	23%	0.227	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-60	136.6	-178.2	22.8	-33.2	0	0	0	111.5	E262 N346 S347	E262-P344 HydrophobicContact CG-CB 4.47Å; P344-N346 PolarHBondContact O-N 2.9Å; P344-S347 PolarHBondContact O-OG 2.93Å
345	K	54.8	Low	63.4	Low	159 Å²	159	51.9 Å²	51.9	69%	0.691	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-11	179.9	-66.2	-177.4	179.3	178.7	0	114.1	V343 S352	V343-K345 PolarHBondContact O-N 2.94Å; K345-S352 PolarHBondContact O-OG 3.32Å
346	N	51.3	Low	62.7	Low	159 Å²	159	52.7 Å²	52.7	85%	0.85	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	8.2	-170.1	-75.2	1	0	0	0	115.3	P344	P344-N346 PolarHBondContact O-N 2.9Å
347	S	50.7	Low	62.3	Low	27 Å²	27	52.4 Å²	52.4	19%	0.189	28%	0.277	C	S	.	.	S	Bend	trans	-87.3	139.1	170.6	54.5	0	0	0	0	110	P344 I349 S352	P344-S347 PolarHBondContact O-OG 2.93Å; S347-I349 PolarHBondContact O-N 2.92Å; S347-I349 WeakPolarHBondContact OG-CD1 3.27Å; S347-I349 WeakPolarHBondContact OG-CG1 3.38Å; S347-S352 WeakPolarHBondContact O-CB 3.11Å; S347-S352 PolarHBondContact O-OG 3.5Å
348	D	50.8	Low	62	Low	135 Å²	135	52.8 Å²	52.8	72%	0.722	28%	0.279	S	S	*	.	S	Bend	trans	-59.8	33	177.7	-63.1	-40.9	0	0	0	115.2
349	I	54.2	Low	61.9	Low	4 Å²	4	56.5 Å²	56.5	2%	0.021	29%	0.293	C	S	.	.			trans	-100.2	123.1	-178.1	-45.2	174.3	0	0	0	105.9	S347 L351 S352 I493 Y497	S347-I349 PolarHBondContact O-N 2.92Å; S347-I349 WeakPolarHBondContact OG-CD1 3.27Å; S347-I349 WeakPolarHBondContact OG-CG1 3.38Å; I349-L351 HydrophobicContact CG2-CB 3.58Å; I349-L351 HydrophobicContact CG2-CD1 3.64Å; I349-L351 HydrophobicContact CG2-CG 3.82Å; I349-L351 PolarHBondContact O-N 3.49Å; I349-S352 WeakPolarHBondContact O-CB 3.43Å; I349-S352 PolarHBondContact O-N 2.72Å; I349-S352 PolarHBondContact O-OG 3.19Å; I349-I493 HydrophobicContact CD1-CG2 3.82Å; I349-Y497 HydrophobicContact CD1-CE2 3.99Å; I349-Y497 HydrophobicContact CG1-CE1 3.99Å; I349-Y497 HydrophobicContact CG1-CE2 4.08Å; I349-Y497 VanDerWaalsContact CG1-OH 3.28Å; I349-Y497 WeakPolarHBondContact CG1-OH 3.33Å
350	P	48.9	Very low	61.9	Low	74 Å²	74	56.5 Å²	56.5	48%	0.481	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-8.8	172	23.4	-31.6	0	0	0	113.3
351	L	49.4	Very low	62.1	Low	41 Å²	41	55.9 Å²	55.9	22%	0.215	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-17.9	176	-54.2	157.5	0	0	0	112.6	I349 E353 R354 L385 L496	I349-L351 HydrophobicContact CG2-CB 3.58Å; I349-L351 HydrophobicContact CG2-CD1 3.64Å; I349-L351 HydrophobicContact CG2-CG 3.82Å; I349-L351 PolarHBondContact O-N 3.49Å; L351-E353 VanDerWaalsContact C-N 3.27Å; L351-E353 PolarHBondContact O-N 2.95Å; L351-R354 PolarHBondContact O-N 3.34Å; L351-R354 VanDerWaalsContact O-N 3.16Å; L351-L385 HydrophobicContact CB-CD2 4.47Å; L351-L385 HydrophobicContact CD2-CD2 3.13Å; L351-L385 HydrophobicContact CG-CD2 4.36Å; L351-L496 HydrophobicContact CD1-CB 4.43Å
352	S	49.1	Very low	62.5	Low	13 Å²	13	55.8 Å²	55.8	9%	0.091	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-69.4	-25.9	-179.8	65.2	0	0	0	0	112.2	K345 S347 I349 R354	K345-S352 PolarHBondContact O-OG 3.32Å; S347-S352 WeakPolarHBondContact O-CB 3.11Å; S347-S352 PolarHBondContact O-OG 3.5Å; I349-S352 WeakPolarHBondContact O-CB 3.43Å; I349-S352 PolarHBondContact O-N 2.72Å; I349-S352 PolarHBondContact O-OG 3.19Å; S352-R354 PolarHBondContact O-N 3.04Å
353	E	46.2	Very low	63	Low	171 Å²	171	54.9 Å²	54.9	80%	0.799	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-64.5	-23.7	172.3	-64.9	-174.5	171.4	0	0	113.2	L351	L351-E353 VanDerWaalsContact C-N 3.27Å; L351-E353 PolarHBondContact O-N 2.95Å
354	R	49.2	Very low	63.7	Low	137 Å²	137	55.1 Å²	55.1	52%	0.517	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-97.4	-7	-172.1	-62.8	-173.1	-177.3	-169	0.8	114.2	L351 S352 K381	L351-R354 PolarHBondContact O-N 3.34Å; L351-R354 VanDerWaalsContact O-N 3.16Å; S352-R354 PolarHBondContact O-N 3.04Å; R354-K381 WeakPolarHBondContact O-CD 3.48Å; R354-K381 WeakPolarHBondContact O-CE 3.35Å; R354-K381 PolarHBondContact O-NZ 3.42Å
355	G	55.3	Low	64.4	Low	23 Å²	23	53.6 Å²	53.6	24%	0.237	27%	0.272	C	S	.	.			trans	63.3	75.1	173.8	0	0	0	0	0	113.3	K381	G355-K381 PolarHBondContact O-NZ 3.25Å
356	F	66.6	Low	65.2	Low	16 Å²	16	48.1 Å²	48.1	7%	0.07	25%	0.25	C	S	.	.			trans	-80.1	127.7	173.8	-177.9	-100.4	0	0	0	110.6	V343 I358 F377 L385 I492 L496	V343-F356 HydrophobicContact CG2-CD1 3.93Å; V343-F356 PolarHBondContact N-O 2.85Å; V343-F356 VanDerWaalsContact N-O 3.14Å; F356-I358 HydrophobicContact CD1-CG1 4.27Å; F356-I358 HydrophobicContact CE1-CD1 3.74Å; F356-I358 HydrophobicContact CE1-CG1 3.46Å; F356-I358 VanDerWaalsContact CE1-CG1 3.46Å; F356-I358 HydrophobicContact CZ-CD1 4.19Å; F356-I358 HydrophobicContact CZ-CG1 3.93Å; F356-F377 HydrophobicContact CE2-CD1 4.42Å; F356-F377 AromaticContact CZ-CD1 3.9Å; F356-F377 HydrophobicContact CZ-CD1 3.9Å; F356-F377 HydrophobicContact CZ-CE1 4.22Å; F356-L385 HydrophobicContact CD2-CD1 4.24Å; F356-I492 HydrophobicContact CD1-CG2 4.16Å; F356-I492 HydrophobicContact CE1-CG2 3.78Å; F356-L496 HydrophobicContact CD1-CD1 4.05Å; F356-L496 HydrophobicContact CD1-CD2 4.48Å; F356-L496 HydrophobicContact CE1-CD1 4.44Å; F356-L496 HydrophobicContact CE1-CD2 4.39Å; F356-L496 HydrophobicContact CG-CD1 4.49Å; F356-L496 HydrophobicContact CZ-CD2 4.43Å
357	S	71	Confident	66.1	Low	29 Å²	29	44.6 Å²	44.6	20%	0.203	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.6	178.8	53.3	0	0	0	0	111.6	V341 S378	V341-S357 CarbonylContact O-C 3.52Å; V341-S357 VanDerWaalsContact O-CA 3.32Å; V341-S357 WeakPolarHBondContact O-CA 3.48Å; S357-S378 PolarHBondContact OG-OG 2.96Å
358	I	77.3	Confident	66.9	Low	7 Å²	7	45.5 Å²	45.5	4%	0.036	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.1	174.1	-62.4	-164	0	0	0	108.9	T340 V341 F356 L360 L375 F377 I492	T340-I358 CarbonylContact C-O 3.57Å; T340-I358 VanDerWaalsContact CA-O 3.29Å; T340-I358 WeakPolarHBondContact CA-O 3.12Å; V341-I358 PolarHBondContact N-O 3.32Å; V341-I358 PolarHBondContact O-N 3.44Å; F356-I358 HydrophobicContact CD1-CG1 4.27Å; F356-I358 HydrophobicContact CE1-CD1 3.74Å; F356-I358 HydrophobicContact CE1-CG1 3.46Å; F356-I358 VanDerWaalsContact CE1-CG1 3.46Å; F356-I358 HydrophobicContact CZ-CD1 4.19Å; F356-I358 HydrophobicContact CZ-CG1 3.93Å; I358-L360 HydrophobicContact CG2-CG 4.38Å; I358-L375 HydrophobicContact CG2-CD1 3.24Å; I358-L375 HydrophobicContact CG2-CG 4.39Å; I358-F377 HydrophobicContact CD1-CD1 4.34Å; I358-F377 HydrophobicContact CD1-CE1 3.89Å; I358-F377 HydrophobicContact CG1-CD1 4.14Å; I358-F377 HydrophobicContact CG1-CE1 4.2Å; I358-I492 HydrophobicContact CD1-CB 4.45Å; I358-I492 HydrophobicContact CD1-CD1 3.49Å; I358-I492 VanDerWaalsContact CD1-CD1 3.49Å; I358-I492 HydrophobicContact CD1-CG1 3.56Å; I358-I492 HydrophobicContact CD1-CG2 4.03Å; I358-I492 HydrophobicContact CG1-CD1 4.22Å
359	R	80.9	Confident	68.1	Low	80 Å²	80	45 Å²	45	30%	0.302	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119	174.8	-178.2	-175.1	-70.5	-156	1	109.7	E268 L338 L339 Q376	E268-R359 IonicContact OE1-NH1 2.75Å; E268-R359 PolarHBondContact OE1-NH1 2.9Å; E268-R359 IonicContact OE2-NH1 3.2Å; L338-R359 HydrophobicContact CD2-CG 3.65Å; L339-R359 WeakPolarHBondContact O-CA 3.36Å; R359-Q376 HydrophobicContact CB-CB 4.2Å; R359-Q376 PolarHBondContact N-O 3.39Å; R359-Q376 PolarHBondContact O-N 3.02Å
360	L	82.9	Confident	69.2	Low	1 Å²	1	45 Å²	45	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	121.3	175.4	-65.9	158.7	0	0	0	108.5	L338 L339 V341 I358 F362 V373 L375 L401 W484 L488	L338-L360 CarbonylContact C-O 3.57Å; L338-L360 VanDerWaalsContact CA-O 3.29Å; L338-L360 WeakPolarHBondContact CA-O 3.16Å; L339-L360 HydrophobicContact CB-CB 4.29Å; L339-L360 HydrophobicContact CD2-CD1 4.02Å; L339-L360 PolarHBondContact N-O 2.77Å; L339-L360 PolarHBondContact O-N 3.11Å; V341-L360 HydrophobicContact CG2-CD1 4.39Å; I358-L360 HydrophobicContact CG2-CG 4.38Å; L360-F362 HydrophobicContact CB-CE2 4.06Å; L360-F362 HydrophobicContact CB-CZ 4.48Å; L360-V373 HydrophobicContact CB-CG1 4.47Å; L360-V373 HydrophobicContact CD2-CG1 3.96Å; L360-L375 HydrophobicContact CD2-CD1 3.5Å; L360-L375 HydrophobicContact CG-CD1 4.3Å; L360-L401 HydrophobicContact CD2-CD1 3.63Å; L360-L401 HydrophobicContact CD2-CD2 3.97Å; L360-L401 HydrophobicContact CD2-CG 4.41Å; L360-W484 HydrophobicContact CD1-CH2 4.41Å; L360-L488 HydrophobicContact CD1-CD1 3.71Å
361	S	84.2	Confident	70.6	Confident	12 Å²	12	41.5 Å²	41.5	8%	0.084	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	114.8	177.4	46.3	0	0	0	0	110.1	V373 R374	S361-V373 CarbonylContact O-C 3.56Å; S361-V373 WeakPolarHBondContact O-CA 3.21Å; S361-R374 PolarHBondContact N-O 2.82Å; S361-R374 PolarHBondContact O-N 3.5Å; S361-R374 WeakPolarHBondContact OG-CB 3.4Å; S361-R374 WeakPolarHBondContact OG-CG 3.32Å; S361-R374 PolarHBondContact OG-O 2.82Å
362	F	85.3	Confident	72	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	113.6	174.9	-60.7	-91.9	0	0	0	108.5	L243 L246 T336 V337 L339 L360 V371 T372 V373 W446 A447 W484	L243-F362 HydrophobicContact CD2-CB 3.94Å; L246-F362 HydrophobicContact CD2-CB 3.85Å; L246-F362 HydrophobicContact CD2-CD1 3.49Å; L246-F362 VanDerWaalsContact CD2-CD1 3.49Å; L246-F362 HydrophobicContact CD2-CD2 3.82Å; L246-F362 HydrophobicContact CD2-CE1 3.93Å; L246-F362 HydrophobicContact CD2-CE2 4.22Å; L246-F362 HydrophobicContact CD2-CG 3.44Å; L246-F362 VanDerWaalsContact CD2-CG 3.44Å; L246-F362 HydrophobicContact CD2-CZ 4.28Å; T336-F362 CarbonylContact C-O 3.52Å; T336-F362 VanDerWaalsContact CA-O 3.29Å; T336-F362 WeakPolarHBondContact CA-O 3.46Å; T336-F362 WeakPolarHBondContact CB-O 3.45Å; V337-F362 HydrophobicContact CB-CB 4.26Å; V337-F362 PolarHBondContact N-O 3.04Å; V337-F362 WeakPolarHBondContact O-CD2 3.32Å; V337-F362 PolarHBondContact O-N 3.12Å; L339-F362 HydrophobicContact CB-CE2 4.09Å; L360-F362 HydrophobicContact CB-CE2 4.06Å; L360-F362 HydrophobicContact CB-CZ 4.48Å; F362-V371 HydrophobicContact CB-CG1 4.06Å; F362-V371 HydrophobicContact CD1-CG1 3.92Å; F362-T372 CarbonylContact C-O 3.54Å; F362-T372 WeakPolarHBondContact CA-O 3.44Å; F362-V373 HydrophobicContact CD1-CB 4.47Å; F362-V373 HydrophobicContact CD1-CG1 4.38Å; F362-V373 HydrophobicContact CD1-CG2 3.55Å; F362-V373 HydrophobicContact CE1-CB 4.48Å; F362-V373 HydrophobicContact CE1-CG1 4.14Å; F362-V373 HydrophobicContact CE1-CG2 3.55Å; F362-V373 HydrophobicContact CZ-CG1 4.47Å; F362-W446 HydrophobicContact CE1-CH2 4.17Å; F362-W446 AromaticContact CE1-CZ3 3.92Å; F362-W446 HydrophobicContact CE1-CZ3 3.92Å; F362-W446 HydrophobicContact CZ-CH2 4.44Å; F362-W446 HydrophobicContact CZ-CZ3 4.25Å; F362-A447 HydrophobicContact CE1-CB 4.37Å; F362-W484 HydrophobicContact CZ-CH2 4.27Å; F362-W484 HydrophobicContact CZ-CZ2 4.49Å
363	A	83.9	Confident	73.5	Confident	14 Å²	14	39 Å²	39	12%	0.116	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	143.9	177.2	0	0	0	0	0	110.1	F332 T336 V371 T372	F332-A363 HydrophobicContact CD1-CB 4.07Å; T336-A363 HydrophobicContact CG2-CB 3.85Å; A363-V371 CarbonylContact O-C 3.6Å; A363-V371 WeakPolarHBondContact O-CA 3.34Å; A363-T372 PolarHBondContact N-O 3.24Å; A363-T372 PolarHBondContact O-N 3.12Å
364	W	82.2	Confident	75.1	Confident	21 Å²	21	35.1 Å²	35.1	8%	0.08	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	122.6	176.2	178.9	-112.1	0	0	0	109.9	P240 P242 L243 F332 H333 H369 L370 V371 I453	P240-W364 HydrophobicContact CB-CD2 4.45Å; P240-W364 HydrophobicContact CB-CG 4.08Å; P240-W364 HydrophobicContact CG-CB 4.11Å; P240-W364 HydrophobicContact CG-CG 3.94Å; P242-W364 HydrophobicContact CB-CE3 4.39Å; P242-W364 HydrophobicContact CB-CH2 4.42Å; P242-W364 HydrophobicContact CB-CZ3 4.05Å; P242-W364 HydrophobicContact CG-CE3 4.31Å; P242-W364 HydrophobicContact CG-CH2 3.66Å; P242-W364 HydrophobicContact CG-CZ2 4.14Å; P242-W364 HydrophobicContact CG-CZ3 3.79Å; L243-W364 HydrophobicContact CD1-CB 3.66Å; L243-W364 HydrophobicContact CG-CB 4.1Å; F332-W364 CarbonylContact C-O 3.59Å; F332-W364 WeakPolarHBondContact CA-O 3.49Å; H333-W364 HydrophobicContact CB-CB 3.82Å; H333-W364 HydrophobicContact CB-CG 4.39Å; H333-W364 PolarHBondContact N-O 3.19Å; W364-H369 VanDerWaalsContact CH2-CA 3.48Å; W364-H369 HydrophobicContact CH2-CB 3.79Å; W364-H369 WeakPolarHBondContact CH2-O 3.37Å; W364-H369 HydrophobicContact CZ2-CB 3.77Å; W364-H369 AromaticContact CZ2-ND1 3.66Å; W364-H369 VanDerWaalsContact CZ3-C 3.41Å; W364-H369 WeakPolarHBondContact CZ3-O 3.36Å; W364-L370 VanDerWaalsContact CE3-C 3.43Å; W364-L370 VanDerWaalsContact CZ3-C 3.46Å; W364-V371 HydrophobicContact CE3-CG2 3.64Å; W364-V371 HydrophobicContact CZ3-CG2 3.82Å; W364-I453 HydrophobicContact CE3-CD1 4.47Å; W364-I453 HydrophobicContact CH2-CD1 3.65Å; W364-I453 HydrophobicContact CZ3-CD1 3.3Å
365	M	77.8	Confident	76.3	Confident	3 Å²	3	29 Å²	29	2%	0.015	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	116.8	168.8	-83.8	179.5	48.6	0	0	109.5	I330 F332 L368 H369 L370 T372 W434	I330-M365 HydrophobicContact CG2-CE 3.83Å; I330-M365 HydrophobicContact CG2-CG 4.12Å; I330-M365 HydrophobicContact CG2-SD 3.97Å; F332-M365 HydrophobicContact CD1-CG 3.58Å; F332-M365 HydrophobicContact CE1-CG 3.22Å; F332-M365 HydrophobicContact CE1-SD 3.84Å; F332-M365 HydrophobicContact CZ-CG 3.91Å; F332-M365 HydrophobicContact CZ-SD 4.09Å; M365-L368 HydrophobicContact CE-CB 3.82Å; M365-L368 HydrophobicContact CE-CD1 3.22Å; M365-L368 HydrophobicContact CE-CG 3.43Å; M365-L368 VanDerWaalsContact CE-CG 3.43Å; M365-H369 WeakPolarHBondContact O-CA 3.24Å; M365-H369 PolarHBondContact O-N 2.68Å; M365-L370 PolarHBondContact N-O 3.4Å; M365-T372 HydrophobicContact CG-CG2 4.09Å; M365-T372 HydrophobicContact SD-CG2 3.63Å; M365-W434 HydrophobicContact CE-CH2 4.15Å; M365-W434 HydrophobicContact SD-CH2 4.05Å; M365-W434 HydrophobicContact SD-CZ3 3.94Å
366	L	72.9	Confident	77	Confident	43 Å²	43	30.9 Å²	30.9	23%	0.225	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-39.3	-179	-66.5	166.8	0	0	0	111.4	V277 K331 H333	V277-L366 HydrophobicContact CG1-CD1 3.91Å; V277-L366 HydrophobicContact CG1-CD2 4.39Å; K331-L366 HydrophobicContact CB-CB 4.46Å; K331-L366 HydrophobicContact CB-CD1 4.32Å; K331-L366 PolarHBondContact O-N 3.27Å; H333-L366 HydrophobicContact CB-CD2 4.48Å
367	D	68.8	Low	77.1	Confident	86 Å²	86	31.2 Å²	31.2	46%	0.46	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-30.3	-172.3	-58.9	-38.4	0	0	0	113.6	K331	K331-D367 PolarHBondContact N-OD2 3Å
368	L	68.2	Low	76.6	Confident	46 Å²	46	32 Å²	32	24%	0.241	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-5.3	-179.7	-58.2	-175.9	0	0	0	113.4	M365 L370 L423 L425 W434	M365-L368 HydrophobicContact CE-CB 3.82Å; M365-L368 HydrophobicContact CE-CD1 3.22Å; M365-L368 HydrophobicContact CE-CG 3.43Å; M365-L368 VanDerWaalsContact CE-CG 3.43Å; L368-L370 VanDerWaalsContact C-N 3.33Å; L368-L370 HydrophobicContact CB-CD1 3.75Å; L368-L370 HydrophobicContact CB-CG 3.86Å; L368-L370 HydrophobicContact CD1-CD1 4.14Å; L368-L370 WeakPolarHBondContact O-CG 3.29Å; L368-L370 PolarHBondContact O-N 2.87Å; L368-L423 HydrophobicContact CD1-CD1 4.12Å; L368-L425 HydrophobicContact CD2-CD2 4.4Å; L368-L425 HydrophobicContact CD2-CG 4.47Å; L368-W434 HydrophobicContact CD1-CH2 4.16Å
369	H	75.5	Confident	75.4	Confident	125 Å²	125	36.8 Å²	36.8	58%	0.579	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	47.8	-172.4	-61.3	-67.9	0	0	0	113.3	W364 M365	W364-H369 VanDerWaalsContact CH2-CA 3.48Å; W364-H369 HydrophobicContact CH2-CB 3.79Å; W364-H369 WeakPolarHBondContact CH2-O 3.37Å; W364-H369 HydrophobicContact CZ2-CB 3.77Å; W364-H369 AromaticContact CZ2-ND1 3.66Å; W364-H369 VanDerWaalsContact CZ3-C 3.41Å; W364-H369 WeakPolarHBondContact CZ3-O 3.36Å; M365-H369 WeakPolarHBondContact O-CA 3.24Å; M365-H369 PolarHBondContact O-N 2.68Å
370	L	77.6	Confident	73.9	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146	179.3	-50.5	169.2	0	0	0	111	W364 M365 L368 L423 P443	W364-L370 VanDerWaalsContact CE3-C 3.43Å; W364-L370 VanDerWaalsContact CZ3-C 3.46Å; M365-L370 PolarHBondContact N-O 3.4Å; L368-L370 VanDerWaalsContact C-N 3.33Å; L368-L370 HydrophobicContact CB-CD1 3.75Å; L368-L370 HydrophobicContact CB-CG 3.86Å; L368-L370 HydrophobicContact CD1-CD1 4.14Å; L368-L370 WeakPolarHBondContact O-CG 3.29Å; L368-L370 PolarHBondContact O-N 2.87Å; L370-L423 HydrophobicContact CD1-CD1 3.26Å; L370-L423 HydrophobicContact CD1-CD2 3.45Å; L370-L423 VanDerWaalsContact CD1-CD2 3.45Å; L370-L423 HydrophobicContact CD1-CG 3.88Å; L370-L423 HydrophobicContact CD2-CD2 3.79Å; L370-L423 HydrophobicContact CG-CD2 4.11Å; L370-P443 HydrophobicContact CB-CB 4.33Å; L370-P443 HydrophobicContact CD1-CB 4.24Å; L370-P443 HydrophobicContact CD1-CG 4.48Å
371	V	78	Confident	72.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	120.4	165.6	-179	0	0	0	0	108.5	P242 L243 F362 A363 W364 P443 S451 I453	P242-V371 HydrophobicContact CB-CG2 4.24Å; L243-V371 HydrophobicContact CD2-CG1 4.17Å; L243-V371 HydrophobicContact CD2-CG2 4.28Å; F362-V371 HydrophobicContact CB-CG1 4.06Å; F362-V371 HydrophobicContact CD1-CG1 3.92Å; A363-V371 CarbonylContact O-C 3.6Å; A363-V371 WeakPolarHBondContact O-CA 3.34Å; W364-V371 HydrophobicContact CE3-CG2 3.64Å; W364-V371 HydrophobicContact CZ3-CG2 3.82Å; V371-P443 WeakPolarHBondContact O-CA 3.27Å; V371-S451 WeakPolarHBondContact CG2-OG 3.46Å; V371-I453 HydrophobicContact CG2-CD1 4.12Å
372	T	79.5	Confident	70.8	Confident	2 Å²	2	46 Å²	46	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	142	168.8	66.8	0	0	0	0	110.1	F332 F362 A363 M365 W434 I440 P443	F332-T372 HydrophobicContact CE1-CG2 4.45Å; F362-T372 CarbonylContact C-O 3.54Å; F362-T372 WeakPolarHBondContact CA-O 3.44Å; A363-T372 PolarHBondContact N-O 3.24Å; A363-T372 PolarHBondContact O-N 3.12Å; M365-T372 HydrophobicContact CG-CG2 4.09Å; M365-T372 HydrophobicContact SD-CG2 3.63Å; T372-W434 HydrophobicContact CG2-CZ3 4.34Å; T372-I440 VanDerWaalsContact CB-O 3.28Å; T372-I440 WeakPolarHBondContact CB-O 3.22Å; T372-I440 PolarHBondContact OG1-O 2.89Å; T372-P443 HydrophobicContact CG2-CB 4.42Å
373	V	80.9	Confident	69	Low	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.8	177.5	-171.1	0	0	0	0	108.8	L360 S361 F362 L401 G441 R442 Y444 W446 A447	L360-V373 HydrophobicContact CB-CG1 4.47Å; L360-V373 HydrophobicContact CD2-CG1 3.96Å; S361-V373 CarbonylContact O-C 3.56Å; S361-V373 WeakPolarHBondContact O-CA 3.21Å; F362-V373 HydrophobicContact CD1-CB 4.47Å; F362-V373 HydrophobicContact CD1-CG1 4.38Å; F362-V373 HydrophobicContact CD1-CG2 3.55Å; F362-V373 HydrophobicContact CE1-CB 4.48Å; F362-V373 HydrophobicContact CE1-CG1 4.14Å; F362-V373 HydrophobicContact CE1-CG2 3.55Å; F362-V373 HydrophobicContact CZ-CG1 4.47Å; V373-L401 HydrophobicContact CG1-CD1 4.11Å; V373-G441 WeakPolarHBondContact O-CA 3.29Å; V373-R442 PolarHBondContact N-O 2.81Å; V373-R442 PolarHBondContact O-N 3.26Å; V373-Y444 HydrophobicContact CB-CD2 3.8Å; V373-Y444 HydrophobicContact CB-CE2 3.94Å; V373-Y444 HydrophobicContact CG2-CD2 3.89Å; V373-W446 HydrophobicContact CG1-CH2 4.21Å; V373-W446 HydrophobicContact CG2-CH2 3.97Å; V373-W446 HydrophobicContact CG2-CZ2 4.49Å; V373-A447 HydrophobicContact CG2-CB 3.49Å; V373-A447 VanDerWaalsContact CG2-CB 3.49Å
374	R	78.2	Confident	67.3	Low	89 Å²	89	53.1 Å²	53.1	34%	0.336	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	135.3	173.7	166.5	-177.4	-169.2	-162.8	3.4	110.4	S361 A436	S361-R374 PolarHBondContact N-O 2.82Å; S361-R374 PolarHBondContact O-N 3.5Å; S361-R374 WeakPolarHBondContact OG-CB 3.4Å; S361-R374 WeakPolarHBondContact OG-CG 3.32Å; S361-R374 PolarHBondContact OG-O 2.82Å; R374-A436 CarbonylContact C-O 3.54Å; R374-A436 VanDerWaalsContact CA-O 3.29Å; R374-A436 WeakPolarHBondContact CA-O 3.29Å; R374-A436 WeakPolarHBondContact CG-O 3.4Å
375	L	75.5	Confident	65.8	Low	7 Å²	7	53.9 Å²	53.9	4%	0.037	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	125.8	-177.6	-172.4	69.3	0	0	0	109.9	I358 L360 F377 L400 L401 A436	I358-L375 HydrophobicContact CG2-CD1 3.24Å; I358-L375 HydrophobicContact CG2-CG 4.39Å; L360-L375 HydrophobicContact CD2-CD1 3.5Å; L360-L375 HydrophobicContact CG-CD1 4.3Å; L375-F377 HydrophobicContact CD2-CE1 4.13Å; L375-F377 HydrophobicContact CD2-CE2 3.96Å; L375-F377 HydrophobicContact CD2-CZ 3.42Å; L375-F377 VanDerWaalsContact CD2-CZ 3.42Å; L375-F377 HydrophobicContact CG-CE1 4.41Å; L375-F377 HydrophobicContact CG-CE2 4.23Å; L375-F377 HydrophobicContact CG-CZ 3.93Å; L375-L400 HydrophobicContact CD2-CB 4.25Å; L375-L400 HydrophobicContact CD2-CD1 3.58Å; L375-L401 HydrophobicContact CB-CD1 4.4Å; L375-L401 HydrophobicContact CD1-CD1 4.33Å; L375-A436 PolarHBondContact N-O 3.41Å
376	Q	70.3	Confident	64.5	Low	64 Å²	64	55.8 Å²	55.8	30%	0.299	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	134.8	173.4	-68.9	-178	-9.6	0	0	109.7	R359	R359-Q376 HydrophobicContact CB-CB 4.2Å; R359-Q376 PolarHBondContact N-O 3.39Å; R359-Q376 PolarHBondContact O-N 3.02Å
377	F	69	Low	63.6	Low	22 Å²	22	62.5 Å²	62.5	10%	0.096	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	144.6	171.9	-54.4	-82.1	0	0	0	109.7	F356 I358 L375 V379 I382 L395 L400	F356-F377 HydrophobicContact CE2-CD1 4.42Å; F356-F377 AromaticContact CZ-CD1 3.9Å; F356-F377 HydrophobicContact CZ-CD1 3.9Å; F356-F377 HydrophobicContact CZ-CE1 4.22Å; I358-F377 HydrophobicContact CD1-CD1 4.34Å; I358-F377 HydrophobicContact CD1-CE1 3.89Å; I358-F377 HydrophobicContact CG1-CD1 4.14Å; I358-F377 HydrophobicContact CG1-CE1 4.2Å; L375-F377 HydrophobicContact CD2-CE1 4.13Å; L375-F377 HydrophobicContact CD2-CE2 3.96Å; L375-F377 HydrophobicContact CD2-CZ 3.42Å; L375-F377 VanDerWaalsContact CD2-CZ 3.42Å; L375-F377 HydrophobicContact CG-CE1 4.41Å; L375-F377 HydrophobicContact CG-CE2 4.23Å; L375-F377 HydrophobicContact CG-CZ 3.93Å; F377-V379 WeakPolarHBondContact O-CG2 3.48Å; F377-V379 PolarHBondContact O-N 2.76Å; F377-I382 HydrophobicContact CB-CD1 3.23Å; F377-I382 HydrophobicContact CG-CD1 4.15Å; F377-L395 VanDerWaalsContact CE2-O 3.25Å; F377-L395 WeakPolarHBondContact CE2-O 3.2Å; F377-L395 HydrophobicContact CZ-CB 4.18Å; F377-L395 WeakPolarHBondContact CZ-O 3.48Å; F377-L400 HydrophobicContact CE1-CD1 4.03Å; F377-L400 HydrophobicContact CZ-CD1 3.53Å
378	S	60.7	Low	63.1	Low	47 Å²	47	58.6 Å²	58.6	33%	0.329	31%	0.306	S	S	.	.			trans	-71.6	93	171.3	-57.2	0	0	0	0	109.6	S357 D380 I382	S357-S378 PolarHBondContact OG-OG 2.96Å; S378-D380 PolarHBondContact O-N 3.21Å; S378-D380 VanDerWaalsContact O-N 3.15Å; S378-I382 WeakPolarHBondContact O-CG1 3.45Å
379	V	51.5	Low	63	Low	107 Å²	107	65.5 Å²	65.5	65%	0.648	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-56.1	-29.1	-169.4	-179.6	0	0	0	0	113.9	F377 K381 I382	F377-V379 WeakPolarHBondContact O-CG2 3.48Å; F377-V379 PolarHBondContact O-N 2.76Å; V379-K381 PolarHBondContact O-N 3.4Å; V379-I382 PolarHBondContact O-N 2.84Å; V379-I382 VanDerWaalsContact O-N 3.08Å
380	D	48.6	Very low	62.4	Low	163 Å²	163	60.1 Å²	60.1	87%	0.872	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-65.6	-14	-170.1	-67.9	-18	0	0	0	115.2	S378	S378-D380 PolarHBondContact O-N 3.21Å; S378-D380 VanDerWaalsContact O-N 3.15Å
381	K	49.7	Very low	61.7	Low	100 Å²	100	59.9 Å²	59.9	44%	0.435	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-109.1	-16.6	176.7	-60.9	-175.1	-176.9	176.2	0	113.7	R354 G355 V379 S384 L385	R354-K381 WeakPolarHBondContact O-CD 3.48Å; R354-K381 WeakPolarHBondContact O-CE 3.35Å; R354-K381 PolarHBondContact O-NZ 3.42Å; G355-K381 PolarHBondContact O-NZ 3.25Å; V379-K381 PolarHBondContact O-N 3.4Å; K381-S384 PolarHBondContact O-N 2.8Å; K381-S384 PolarHBondContact O-OG 3.29Å; K381-L385 HydrophobicContact CB-CD1 4.16Å; K381-L385 VanDerWaalsContact O-CD1 3.3Å; K381-L385 WeakPolarHBondContact O-CD1 3.24Å; K381-L385 WeakPolarHBondContact O-CG 3.42Å; K381-L385 PolarHBondContact O-N 2.84Å
382	I	52.5	Low	61	Low	23 Å²	23	62.5 Å²	62.5	12%	0.118	32%	0.323	C	S	.	.	H	α-helix	trans	-72.1	-35.1	-169	-60.9	174.3	0	0	0	111.5	F377 S378 V379 S384 L385 L386	F377-I382 HydrophobicContact CB-CD1 3.23Å; F377-I382 HydrophobicContact CG-CD1 4.15Å; S378-I382 WeakPolarHBondContact O-CG1 3.45Å; V379-I382 PolarHBondContact O-N 2.84Å; V379-I382 VanDerWaalsContact O-N 3.08Å; I382-S384 PolarHBondContact O-N 2.9Å; I382-L385 WeakPolarHBondContact O-CB 3.25Å; I382-L385 PolarHBondContact O-N 3.1Å; I382-L386 HydrophobicContact CG2-CD1 3.3Å; I382-L386 HydrophobicContact CG2-CG 3.78Å; I382-L386 WeakPolarHBondContact O-CG 3.39Å; I382-L386 PolarHBondContact O-N 3.37Å; I382-L386 VanDerWaalsContact O-N 3.12Å
383	A	47.1	Very low	60.2	Low	94 Å²	94	64.6 Å²	64.6	78%	0.777	34%	0.337	S	S	*	.	H	α-helix	trans	-60.1	-28.5	177	0	0	0	0	0	113.2
384	S	48.7	Very low	59.5	Low	70 Å²	70	64.7 Å²	64.7	49%	0.49	34%	0.338	S	S	.	.	H	α-helix	trans	-87.3	-19.5	175.4	78.3	0	0	0	0	113.9	K381 I382	K381-S384 PolarHBondContact O-N 2.8Å; K381-S384 PolarHBondContact O-OG 3.29Å; I382-S384 PolarHBondContact O-N 2.9Å
385	L	49.8	Very low	58.8	Low	36 Å²	36	61 Å²	61	19%	0.188	33%	0.325	C	S	.	.	H	α-helix	trans	-86.1	-32.5	-174.4	-77.3	160.8	0	0	0	112.1	L351 F356 K381 I382 R387	L351-L385 HydrophobicContact CB-CD2 4.47Å; L351-L385 HydrophobicContact CD2-CD2 3.13Å; L351-L385 HydrophobicContact CG-CD2 4.36Å; F356-L385 HydrophobicContact CD2-CD1 4.24Å; K381-L385 HydrophobicContact CB-CD1 4.16Å; K381-L385 VanDerWaalsContact O-CD1 3.3Å; K381-L385 WeakPolarHBondContact O-CD1 3.24Å; K381-L385 WeakPolarHBondContact O-CG 3.42Å; K381-L385 PolarHBondContact O-N 2.84Å; I382-L385 WeakPolarHBondContact O-CB 3.25Å; I382-L385 PolarHBondContact O-N 3.1Å; L385-R387 PolarHBondContact O-N 3.41Å; L385-R387 VanDerWaalsContact O-N 3.13Å
386	L	51.8	Low	57.9	Low	44 Å²	44	64.6 Å²	64.6	23%	0.23	34%	0.344	C	S	.	.			trans	-87.5	78.7	-172.2	-67.4	168.7	0	0	0	112.2	I382 S388 N392 L395	I382-L386 HydrophobicContact CG2-CD1 3.3Å; I382-L386 HydrophobicContact CG2-CG 3.78Å; I382-L386 WeakPolarHBondContact O-CG 3.39Å; I382-L386 PolarHBondContact O-N 3.37Å; I382-L386 VanDerWaalsContact O-N 3.12Å; L386-S388 VanDerWaalsContact C-N 3.32Å; L386-N392 HydrophobicContact CD1-CB 4.14Å; L386-N392 WeakPolarHBondContact CD1-OD1 3.11Å; L386-N392 HydrophobicContact CD2-CB 3.76Å; L386-N392 HydrophobicContact CG-CB 4.49Å; L386-L395 HydrophobicContact CD2-CD1 4.41Å
387	R	54.2	Low	57.2	Low	184 Å²	184	62.5 Å²	62.5	69%	0.694	34%	0.337	S	S	*	.			trans	-74.8	-23.3	165.9	-108.9	-179.8	-72.4	172.7	-5.4	112.7	L385 R507	L385-R387 PolarHBondContact O-N 3.41Å; L385-R387 VanDerWaalsContact O-N 3.13Å; R387-R507 VanDerWaalsContact NH1-NH2 3.15Å
388	S	58.6	Low	56.7	Low	3 Å²	3	63.6 Å²	63.6	2%	0.021	34%	0.342	C	S	.	.			trans	-96.7	128	-178.7	56.8	0	0	0	0	113.1	L386 T390 E506	L386-S388 VanDerWaalsContact C-N 3.32Å; S388-T390 VanDerWaalsContact C-N 3.34Å; S388-E506 WeakPolarHBondContact CA-OE2 3.19Å; S388-E506 WeakPolarHBondContact CB-OE2 3.38Å
389	K	64.6	Low	56.5	Low	191 Å²	191	62.8 Å²	62.8	83%	0.83	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-35.3	176	-70	-179.9	-179.2	176.9	0	110.8	E506	K389-E506 PolarHBondContact N-OE1 3.15Å; K389-E506 PolarHBondContact N-OE2 2.8Å
390	T	63	Low	56.9	Low	12 Å²	12	58.3 Å²	58.3	7%	0.074	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-37.7	-178.5	63.4	0	0	0	0	112.3	S388 N392 S393 E506 W531 N533 F561	S388-T390 VanDerWaalsContact C-N 3.34Å; T390-N392 VanDerWaalsContact C-N 3.33Å; T390-N392 PolarHBondContact O-N 3.12Å; T390-S393 PolarHBondContact O-N 3.13Å; T390-S393 PolarHBondContact O-OG 3.12Å; T390-E506 WeakPolarHBondContact CB-OE1 3.28Å; T390-E506 VanDerWaalsContact CG2-OE1 3.26Å; T390-E506 WeakPolarHBondContact CG2-OE1 3.31Å; T390-E506 PolarHBondContact N-OE1 2.75Å; T390-E506 PolarHBondContact OG1-OE1 2.93Å; T390-W531 PolarHBondContact OG1-NE1 3.21Å; T390-N533 HydrophobicContact CG2-CB 4.09Å; T390-F561 HydrophobicContact CG2-CE1 4.47Å
391	G	63.1	Low	57.6	Low	0 Å²	0	51 Å²	51	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.9	-28.3	-179.7	0	0	0	0	0	114.5	S393 L394	G391-S393 PolarHBondContact O-N 2.95Å; G391-L394 WeakPolarHBondContact O-CB 3.44Å; G391-L394 PolarHBondContact O-N 2.81Å; G391-L394 VanDerWaalsContact O-N 3.09Å
392	N	64	Low	58	Low	54 Å²	54	46.4 Å²	46.4	29%	0.289	25%	0.247	S	C	.	.	H	α-helix	trans	-61.1	-34.7	178.6	-166.9	17.2	0	0	0	112.7	L386 T390 L394 L395 N396	L386-N392 HydrophobicContact CD1-CB 4.14Å; L386-N392 WeakPolarHBondContact CD1-OD1 3.11Å; L386-N392 HydrophobicContact CD2-CB 3.76Å; L386-N392 HydrophobicContact CG-CB 4.49Å; T390-N392 VanDerWaalsContact C-N 3.33Å; T390-N392 PolarHBondContact O-N 3.12Å; N392-L394 PolarHBondContact O-N 3.28Å; N392-L395 PolarHBondContact O-N 3.13Å; N392-N396 PolarHBondContact O-N 2.88Å; N392-N396 PolarHBondContact O-ND2 3.47Å; N392-N396 VanDerWaalsContact O-ND2 3.16Å; N392-N396 PolarHBondContact OD1-ND2 3.28Å
393	S	62.8	Low	58.1	Low	46 Å²	46	46.5 Å²	46.5	32%	0.322	25%	0.25	S	C	.	.	H	α-helix	trans	-63.7	-29.8	178.1	67.5	0	0	0	0	112.5	T390 G391 N396 S397 N533	T390-S393 PolarHBondContact O-N 3.13Å; T390-S393 PolarHBondContact O-OG 3.12Å; G391-S393 PolarHBondContact O-N 2.95Å; S393-N396 PolarHBondContact O-N 3.31Å; S393-S397 VanDerWaalsContact O-CB 3.31Å; S393-S397 WeakPolarHBondContact O-CB 3.26Å; S393-S397 PolarHBondContact O-N 2.86Å; S393-S397 VanDerWaalsContact O-N 3.11Å; S393-N533 PolarHBondContact OG-ND2 2.78Å
394	L	65.9	Low	58.7	Low	3 Å²	3	42.6 Å²	42.6	2%	0.016	22%	0.215	C	C	.	.	H	α-helix	trans	-74	-34.7	-177.8	-58.6	-180	0	0	0	112.3	G391 N392 S397 L498 L502 S559 F561	G391-L394 WeakPolarHBondContact O-CB 3.44Å; G391-L394 PolarHBondContact O-N 2.81Å; G391-L394 VanDerWaalsContact O-N 3.09Å; N392-L394 PolarHBondContact O-N 3.28Å; L394-S397 PolarHBondContact O-OG 2.85Å; L394-L498 HydrophobicContact CD1-CD2 3.14Å; L394-L502 HydrophobicContact CD1-CD1 3.45Å; L394-L502 VanDerWaalsContact CD1-CD1 3.45Å; L394-S559 VanDerWaalsContact CD2-CB 3.48Å; L394-S559 WeakPolarHBondContact CD2-OG 3.33Å; L394-F561 HydrophobicContact CD1-CZ 4.17Å; L394-F561 HydrophobicContact CD2-CZ 4.14Å; L394-F561 HydrophobicContact CG-CZ 4.41Å
395	L	63.1	Low	58.9	Low	12 Å²	12	45.6 Å²	45.6	6%	0.063	22%	0.222	C	C	.	.	H	α-helix	trans	-72.2	-41.1	173.3	-68.4	177.2	0	0	0	111.5	F377 L386 N392 S397 L400 I499	F377-L395 VanDerWaalsContact CE2-O 3.25Å; F377-L395 WeakPolarHBondContact CE2-O 3.2Å; F377-L395 HydrophobicContact CZ-CB 4.18Å; F377-L395 WeakPolarHBondContact CZ-O 3.48Å; L386-L395 HydrophobicContact CD2-CD1 4.41Å; N392-L395 PolarHBondContact O-N 3.13Å; L395-S397 PolarHBondContact O-N 3.4Å; L395-L400 HydrophobicContact CD2-CD1 4.41Å; L395-L400 WeakPolarHBondContact O-CD1 3.29Å; L395-I499 HydrophobicContact CD1-CD1 3.57Å; L395-I499 HydrophobicContact CD2-CD1 3.54Å; L395-I499 HydrophobicContact CG-CD1 3.34Å
396	N	57.5	Low	58.8	Low	81 Å²	81	45 Å²	45	43%	0.433	22%	0.217	S	C	.	.	S	Bend	trans	-82.1	6.5	-178.3	-60.7	-39	0	0	0	113.4	N392 S393	N392-N396 PolarHBondContact O-N 2.88Å; N392-N396 PolarHBondContact O-ND2 3.47Å; N392-N396 VanDerWaalsContact O-ND2 3.16Å; N392-N396 PolarHBondContact OD1-ND2 3.28Å; S393-N396 PolarHBondContact O-N 3.31Å
397	S	55.8	Low	58	Low	21 Å²	21	44.8 Å²	44.8	15%	0.147	22%	0.219	C	C	.	.	S	Bend	trans	-88	142.9	178.9	71.8	0	0	0	0	111.2	S393 L394 L395 Q399 L400	S393-S397 VanDerWaalsContact O-CB 3.31Å; S393-S397 WeakPolarHBondContact O-CB 3.26Å; S393-S397 PolarHBondContact O-N 2.86Å; S393-S397 VanDerWaalsContact O-N 3.11Å; L394-S397 PolarHBondContact O-OG 2.85Å; L395-S397 PolarHBondContact O-N 3.4Å; S397-Q399 PolarHBondContact O-N 3.05Å; S397-L400 PolarHBondContact O-N 3.14Å
398	E	56.9	Low	56.9	Low	45 Å²	45	41.5 Å²	41.5	21%	0.21	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-57.8	-11	172.8	-47	162.6	130.2	0	0	113.1	L400 N435 A436 R442 Y444	E398-L400 VanDerWaalsContact C-N 3.35Å; E398-N435 WeakPolarHBondContact OE1-CA 3.29Å; E398-N435 WeakPolarHBondContact OE1-CB 3.39Å; E398-N435 PolarHBondContact OE1-OD1 2.87Å; E398-A436 HydrophobicContact CB-CB 4.38Å; E398-R442 VanDerWaalsContact CB-CZ 3.44Å; E398-R442 IonicContact OE1-CZ 2.78Å; E398-R442 IonicContact OE1-NE 3.77Å; E398-R442 IonicContact OE1-NH2 3.24Å; E398-R442 PolarHBondContact OE1-NH2 3.43Å; E398-R442 IonicContact OE2-CZ 2.93Å; E398-R442 IonicContact OE2-NE 3.76Å; E398-R442 IonicContact OE2-NH1 2.66Å; E398-R442 PolarHBondContact OE2-NH1 2.93Å; E398-R442 IonicContact OE2-NH2 3.12Å; E398-R442 PolarHBondContact OE2-NH2 2.78Å; E398-Y444 PolarHBondContact O-OH 3.39Å
399	Q	57.5	Low	55.5	Low	30 Å²	30	47.6 Å²	47.6	14%	0.14	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-85.9	-4.8	-172.6	-57.7	170.7	-7.1	0	0	113.3	S397 L401 S402 E557 S559 P581	S397-Q399 PolarHBondContact O-N 3.05Å; Q399-L401 VanDerWaalsContact C-N 3.3Å; Q399-S402 VanDerWaalsContact CA-OG 3.27Å; Q399-S402 WeakPolarHBondContact CA-OG 3.27Å; Q399-S402 PolarHBondContact O-OG 3Å; Q399-E557 VanDerWaalsContact NE2-C 3.32Å; Q399-E557 PolarHBondContact NE2-O 3.15Å; Q399-E557 PolarHBondContact OE1-O 2.83Å; Q399-S559 PolarHBondContact OE1-OG 2.81Å; Q399-P581 HydrophobicContact CB-CB 4.39Å
400	L	60.4	Low	54.1	Low	12 Å²	12	46.1 Å²	46.1	6%	0.063	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-65.2	-37.7	175.3	-77.9	-178.8	0	0	0	112.3	L375 F377 L395 S397 E398 R495	L375-L400 HydrophobicContact CD2-CB 4.25Å; L375-L400 HydrophobicContact CD2-CD1 3.58Å; F377-L400 HydrophobicContact CE1-CD1 4.03Å; F377-L400 HydrophobicContact CZ-CD1 3.53Å; L395-L400 HydrophobicContact CD2-CD1 4.41Å; L395-L400 WeakPolarHBondContact O-CD1 3.29Å; S397-L400 PolarHBondContact O-N 3.14Å; E398-L400 VanDerWaalsContact C-N 3.35Å; L400-R495 HydrophobicContact CD2-CB 4.18Å; L400-R495 HydrophobicContact CD2-CG 3.67Å
401	L	63	Low	52.4	Low	9 Å²	9	51.6 Å²	51.6	5%	0.047	28%	0.279	C	S	.	.	S	Bend	trans	-102.2	-8.6	-176.7	-62.5	175.6	0	0	0	112.9	L360 V373 L375 Q399 L404 Y444 W446 L488	L360-L401 HydrophobicContact CD2-CD1 3.63Å; L360-L401 HydrophobicContact CD2-CD2 3.97Å; L360-L401 HydrophobicContact CD2-CG 4.41Å; V373-L401 HydrophobicContact CG1-CD1 4.11Å; L375-L401 HydrophobicContact CB-CD1 4.4Å; L375-L401 HydrophobicContact CD1-CD1 4.33Å; Q399-L401 VanDerWaalsContact C-N 3.3Å; L401-L404 HydrophobicContact CD2-CD1 4.22Å; L401-Y444 HydrophobicContact CB-CE1 3.87Å; L401-Y444 HydrophobicContact CB-CE2 3.78Å; L401-Y444 VanDerWaalsContact CB-CZ 3.43Å; L401-Y444 WeakPolarHBondContact CB-OH 3.14Å; L401-Y444 HydrophobicContact CD1-CE2 3.74Å; L401-Y444 HydrophobicContact CG-CE2 4.45Å; L401-W446 HydrophobicContact CB-CZ2 4.24Å; L401-W446 HydrophobicContact CD1-CZ2 4.47Å; L401-W446 HydrophobicContact CD2-CZ2 4.46Å; L401-W446 PolarHBondContact O-NE1 2.79Å; L401-L488 HydrophobicContact CD2-CD1 3.96Å
402	S	58.1	Low	50.7	Low	4 Å²	4	54.3 Å²	54.3	3%	0.028	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	144.6	172.1	72.6	0	0	0	0	110.2	Q399 L404 D419 R491	Q399-S402 VanDerWaalsContact CA-OG 3.27Å; Q399-S402 WeakPolarHBondContact CA-OG 3.27Å; Q399-S402 PolarHBondContact O-OG 3Å; S402-L404 PolarHBondContact O-N 3.39Å; S402-D419 WeakPolarHBondContact CA-OD2 3.22Å; S402-D419 WeakPolarHBondContact CB-OD2 3.31Å; S402-R491 PolarHBondContact O-NH1 2.91Å; S402-R491 VanDerWaalsContact O-NH1 3.12Å
403	S	54.6	Low	48.7	Very low	26 Å²	26	62.3 Å²	62.3	18%	0.182	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	41	178	69.6	0	0	0	0	115.6	Q405 D419 R491 Q582	S403-Q405 PolarHBondContact O-N 3.34Å; S403-D419 PolarHBondContact N-OD2 2.93Å; S403-R491 PolarHBondContact O-NH2 3.47Å; S403-Q582 PolarHBondContact OG-NE2 3.29Å
404	L	58.4	Low	47	Very low	11 Å²	11	63.3 Å²	63.3	6%	0.058	36%	0.358	C	S	.	.			trans	-71.2	120.3	163.9	-74.5	161.6	0	0	0	108.1	L401 S402 W406 W446 R491	L401-L404 HydrophobicContact CD2-CD1 4.22Å; S402-L404 PolarHBondContact O-N 3.39Å; L404-W406 VanDerWaalsContact O-CD1 3.31Å; L404-W406 PolarHBondContact O-N 3.03Å; L404-W446 HydrophobicContact CD1-CZ2 4.44Å; L404-R491 HydrophobicContact CD2-CB 4.09Å; L404-R491 HydrophobicContact CD2-CG 4.4Å
405	Q	54.1	Low	45.3	Very low	134 Å²	134	65.8 Å²	65.8	63%	0.626	38%	0.383	S	S	*	.			trans	-77.5	100.4	172.3	-170.6	174.6	-4.2	0	0	107.6	S403 S487	S403-Q405 PolarHBondContact O-N 3.34Å; Q405-S487 PolarHBondContact O-OG 2.95Å
406	W	47.9	Very low	43.7	Very low	24 Å²	24	70.3 Å²	70.3	9%	0.091	42%	0.415	C	S	.	.			trans	-113.8	-23.4	-172.9	69.2	-73.3	0	0	0	112.7	L404 W446 Q449 E480 S483 W484	L404-W406 VanDerWaalsContact O-CD1 3.31Å; L404-W406 PolarHBondContact O-N 3.03Å; W406-W446 HydrophobicContact CD2-CB 3.81Å; W406-W446 HydrophobicContact CG-CB 3.86Å; W406-Q449 HydrophobicContact CH2-CB 3.38Å; W406-Q449 HydrophobicContact CH2-CG 3.79Å; W406-Q449 VanDerWaalsContact CH2-NE2 3.28Å; W406-Q449 VanDerWaalsContact CH2-OE1 3.28Å; W406-Q449 HydrophobicContact CZ2-CB 4.05Å; W406-Q449 HydrophobicContact CZ2-CG 4.13Å; W406-Q449 HydrophobicContact CZ3-CB 3.85Å; W406-E480 HydrophobicContact CE3-CB 4.23Å; W406-E480 HydrophobicContact CZ3-CB 4.12Å; W406-E480 HydrophobicContact CZ3-CG 4.26Å; W406-S483 PolarHBondContact O-OG 3.2Å; W406-W484 HydrophobicContact CB-CB 4.08Å
407	S	35.7	Very low	42.7	Very low	39 Å²	39	70 Å²	70	27%	0.273	42%	0.419	S	S	.	.			trans	-94.5	137.5	170.2	65.8	0	0	0	0	111.4	D409	S407-D409 PolarHBondContact O-N 3.18Å
408	C	30	Very low	42.2	Very low	114 Å²	114	72 Å²	72	77%	0.77	43%	0.433	S	S	*	.	S	Bend	trans	-73.1	-7.1	179.5	-166.9	0	0	0	0	113.2
409	D	29.3	Very low	42	Very low	132 Å²	132	71.5 Å²	71.5	71%	0.706	43%	0.432	S	S	*	.			trans	-124.8	35.9	-159.5	-81.6	-1	0	0	0	116.3	S407	S407-D409 PolarHBondContact O-N 3.18Å
410	Q	34.3	Very low	41.8	Very low	159 Å²	159	73.5 Å²	73.5	74%	0.743	44%	0.443	S	S	*	.			trans	-129.1	61.6	167.3	-67.5	-171.3	4.2	0	0	112.4	G412	Q410-G412 PolarHBondContact O-N 3.43Å
411	I	27.4	Very low	41.3	Very low	128 Å²	128	73.9 Å²	73.9	66%	0.656	45%	0.446	S	S	*	.			trans	-84.8	88.7	159.4	-55.3	170.3	0	0	0	106.7
412	G	27.7	Very low	40.5	Very low	57 Å²	57	78.6 Å²	78.6	59%	0.588	48%	0.475	S	S	*	.	S	Bend	trans	166.4	102.4	174.4	0	0	0	0	0	113.3	Q410	Q410-G412 PolarHBondContact O-N 3.43Å
413	F	23.4	Very low	39.9	Very low	221 Å²	221	80.6 Å²	80.6	97%	0.969	49%	0.485	S	S	*	.	S	Bend	trans	40.7	102.5	153.6	-76.6	-90.4	0	0	0	118.2
414	G	25.6	Very low	39.3	Very low	68 Å²	68	88.4 Å²	88.4	70%	0.701	52%	0.516	S	S	*	.			trans	114.5	75.2	163	0	0	0	0	0	112.9	C416	G414-C416 PolarHBondContact O-N 3.48Å
415	G	29.9	Very low	38.5	Very low	54 Å²	54	91.9 Å²	91.9	56%	0.557	53%	0.534	S	S	*	.			trans	-65.1	84.1	168.4	0	0	0	0	0	110.2	S417 R555	G415-S417 PolarHBondContact O-N 3.48Å; G415-S417 VanDerWaalsContact O-N 3.15Å; G415-R555 PolarHBondContact O-NH1 3.06Å; G415-R555 PolarHBondContact O-NH2 3.41Å
416	C	29.3	Very low	37.6	Very low	107 Å²	107	91 Å²	91	72%	0.723	54%	0.54	S	S	*	.			trans	-62.2	109.7	171	-98.3	0	0	0	0	108.6	G414 S418	G414-C416 PolarHBondContact O-N 3.48Å; C416-S418 PolarHBondContact O-N 3.09Å
417	S	37.9	Very low	37	Very low	74 Å²	74	97.1 Å²	97.1	52%	0.517	58%	0.575	S	S	.	*			trans	-74	42.6	175.7	61.3	0	0	0	0	112.5	G415	G415-S417 PolarHBondContact O-N 3.48Å; G415-S417 VanDerWaalsContact O-N 3.15Å
418	S	44.4	Very low	37	Very low	63 Å²	63	100 Å²	100	44%	0.441	60%	0.595	S	S	.	*			trans	-112.4	70.1	169.6	67.6	0	0	0	0	108.4	C416 I420	C416-S418 PolarHBondContact O-N 3.09Å; S418-I420 PolarHBondContact O-N 3.2Å; S418-I420 VanDerWaalsContact O-N 3.15Å
419	D	53	Low	37.1	Very low	36 Å²	36	103.1 Å²	103.1	19%	0.193	60%	0.598	C	S	.	*			trans	-64.3	-3.5	161	-79.4	-14.7	0	0	0	111.7	S402 S403 Y444 S445	S402-D419 WeakPolarHBondContact CA-OD2 3.22Å; S402-D419 WeakPolarHBondContact CB-OD2 3.31Å; S403-D419 PolarHBondContact N-OD2 2.93Å; D419-Y444 HydrophobicContact CB-CD1 4.38Å; D419-Y444 WeakPolarHBondContact O-CA 3.44Å; D419-S445 PolarHBondContact O-N 3.45Å
420	I	53.9	Low	37.5	Very low	72 Å²	72	104.9 Å²	104.9	37%	0.369	60%	0.599	S	S	.	*	S	Bend	trans	-99.6	126.7	170.1	-47.9	172.2	0	0	0	106.7	S418 V422	S418-I420 PolarHBondContact O-N 3.2Å; S418-I420 VanDerWaalsContact O-N 3.15Å; I420-V422 PolarHBondContact O-N 3.39Å
421	P	49.1	Very low	37.9	Very low	20 Å²	20	102.8 Å²	102.8	13%	0.13	60%	0.602	C	S	.	*			trans	-55.9	137.7	167.4	-6	15.6	0	0	0	107.6	L423 P443 Q448	P421-L423 HydrophobicContact CB-CG 4.43Å; P421-L423 PolarHBondContact O-N 3.43Å; P421-P443 VanDerWaalsContact CD-O 3.26Å; P421-P443 WeakPolarHBondContact CD-O 3.42Å; P421-P443 HydrophobicContact CG-CB 4.4Å; P421-Q448 VanDerWaalsContact CG-OE1 3.29Å
422	V	46.3	Very low	39.1	Very low	107 Å²	107	99.4 Å²	99.4	65%	0.648	59%	0.585	S	S	*	*			trans	-67.1	88.4	172	-178.5	0	0	0	0	107.5	I420 F424	I420-V422 PolarHBondContact O-N 3.39Å; V422-F424 HydrophobicContact CG1-CD2 4.1Å; V422-F424 HydrophobicContact CG1-CE2 3.74Å; V422-F424 HydrophobicContact CG1-CZ 4.01Å; V422-F424 PolarHBondContact O-N 3.03Å
423	L	46	Very low	40.3	Very low	47 Å²	47	100.8 Å²	100.8	25%	0.246	58%	0.582	C	S	.	*			trans	-78.4	103.2	171	-63.4	165.3	0	0	0	106.1	L368 L370 P421 L425 W434	L368-L423 HydrophobicContact CD1-CD1 4.12Å; L370-L423 HydrophobicContact CD1-CD1 3.26Å; L370-L423 HydrophobicContact CD1-CD2 3.45Å; L370-L423 VanDerWaalsContact CD1-CD2 3.45Å; L370-L423 HydrophobicContact CD1-CG 3.88Å; L370-L423 HydrophobicContact CD2-CD2 3.79Å; L370-L423 HydrophobicContact CG-CD2 4.11Å; P421-L423 HydrophobicContact CB-CG 4.43Å; P421-L423 PolarHBondContact O-N 3.43Å; L423-L425 HydrophobicContact CB-CD1 3.64Å; L423-L425 HydrophobicContact CD1-CD1 4.34Å; L423-L425 PolarHBondContact O-N 3.44Å; L423-W434 HydrophobicContact CD1-CZ2 4.35Å
424	F	40.8	Very low	42	Very low	189 Å²	189	91.6 Å²	91.6	83%	0.829	54%	0.541	S	S	*	.			trans	-67.7	79.3	158.8	-71	-79.9	0	0	0	107.3	V422 P426	V422-F424 HydrophobicContact CG1-CD2 4.1Å; V422-F424 HydrophobicContact CG1-CE2 3.74Å; V422-F424 HydrophobicContact CG1-CZ 4.01Å; V422-F424 PolarHBondContact O-N 3.03Å; F424-P426 VanDerWaalsContact O-CD 3.26Å; F424-P426 WeakPolarHBondContact O-CD 3.44Å
425	L	42.5	Very low	43.4	Very low	84 Å²	84	90.3 Å²	90.3	44%	0.44	52%	0.518	S	S	.	.			trans	-62	120.3	171.1	-86.5	102.5	0	0	0	107.8	L368 L423 N427	L368-L425 HydrophobicContact CD2-CD2 4.4Å; L368-L425 HydrophobicContact CD2-CG 4.47Å; L423-L425 HydrophobicContact CB-CD1 3.64Å; L423-L425 HydrophobicContact CD1-CD1 4.34Å; L423-L425 PolarHBondContact O-N 3.44Å; L425-N427 PolarHBondContact O-N 3.23Å
426	P	35.1	Very low	44.6	Very low	116 Å²	116	87.8 Å²	87.8	75%	0.753	49%	0.492	S	S	*	.	S	Bend	trans	-79.7	74.5	171.7	32.8	-28.8	0	0	0	107.5	F424	F424-P426 VanDerWaalsContact O-CD 3.26Å; F424-P426 WeakPolarHBondContact O-CD 3.44Å
427	N	36.3	Very low	45.7	Very low	152 Å²	152	84.9 Å²	84.9	81%	0.813	47%	0.472	S	S	*	.	S	Bend	trans	170.5	133.8	147.9	-88.3	-22.6	0	0	0	111.6	L425	L425-N427 PolarHBondContact O-N 3.23Å
428	S	34.3	Very low	46.7	Very low	99 Å²	99	85.6 Å²	85.6	69%	0.692	47%	0.468	S	S	*	.			trans	-61.3	147.8	-177.7	63.6	0	0	0	0	114
429	Q	32.1	Very low	47.3	Very low	181 Å²	181	87.1 Å²	87.1	85%	0.846	48%	0.478	S	S	*	.			trans	68.3	70.4	154.9	-63	174.2	-12.8	0	0	116.9
430	K	38.7	Very low	47.7	Very low	168 Å²	168	87 Å²	87	73%	0.73	48%	0.477	S	S	*	.			trans	-159.3	112.1	135.8	-102.7	163.6	-170	-170	0	107.1	I432	K430-I432 PolarHBondContact O-N 3.48Å
431	S	41.8	Very low	48.2	Very low	115 Å²	115	83.6 Å²	83.6	80%	0.804	46%	0.46	S	S	*	.			trans	-65.2	94.4	179.5	54.2	0	0	0	0	109.4	T433	S431-T433 PolarHBondContact O-N 3.26Å
432	I	52.7	Low	49.2	Very low	58 Å²	58	85.1 Å²	85.1	30%	0.297	46%	0.463	S	S	.	.			trans	-65.9	108.6	168.9	-61.7	168.2	0	0	0	106.1	I330 K430 W434 I440	I330-I432 HydrophobicContact CD1-CD1 4.39Å; K430-I432 PolarHBondContact O-N 3.48Å; I432-W434 HydrophobicContact CB-CZ2 4.38Å; I432-W434 HydrophobicContact CD1-CZ2 4.36Å; I432-W434 HydrophobicContact CG2-CD2 3.84Å; I432-W434 HydrophobicContact CG2-CE3 4.1Å; I432-W434 HydrophobicContact CG2-CG 4.37Å; I432-W434 HydrophobicContact CG2-CH2 4.21Å; I432-W434 HydrophobicContact CG2-CZ2 3.94Å; I432-W434 HydrophobicContact CG2-CZ3 4.29Å; I432-W434 PolarHBondContact O-N 2.89Å; I432-I440 HydrophobicContact CG2-CD1 4.37Å
433	T	52.6	Low	50.5	Low	85 Å²	85	80.1 Å²	80.1	52%	0.521	43%	0.433	S	S	.	.			trans	-75.7	100.9	168.7	47.4	0	0	0	0	106.9	S431 N435	S431-T433 PolarHBondContact O-N 3.26Å; T433-N435 PolarHBondContact O-N 3.29Å; T433-N435 VanDerWaalsContact O-N 3.12Å
434	W	58.9	Low	51.8	Low	28 Å²	28	78 Å²	78	11%	0.106	42%	0.422	C	S	.	.			trans	-72.1	104.2	175.4	-58.5	100.4	0	0	0	107.6	M365 L368 T372 L423 I432 I440 R442 P443	M365-W434 HydrophobicContact CE-CH2 4.15Å; M365-W434 HydrophobicContact SD-CH2 4.05Å; M365-W434 HydrophobicContact SD-CZ3 3.94Å; L368-W434 HydrophobicContact CD1-CH2 4.16Å; T372-W434 HydrophobicContact CG2-CZ3 4.34Å; L423-W434 HydrophobicContact CD1-CZ2 4.35Å; I432-W434 HydrophobicContact CB-CZ2 4.38Å; I432-W434 HydrophobicContact CD1-CZ2 4.36Å; I432-W434 HydrophobicContact CG2-CD2 3.84Å; I432-W434 HydrophobicContact CG2-CE3 4.1Å; I432-W434 HydrophobicContact CG2-CG 4.37Å; I432-W434 HydrophobicContact CG2-CH2 4.21Å; I432-W434 HydrophobicContact CG2-CZ2 3.94Å; I432-W434 HydrophobicContact CG2-CZ3 4.29Å; I432-W434 PolarHBondContact O-N 2.89Å; W434-I440 HydrophobicContact CE3-CG2 3.66Å; W434-I440 HydrophobicContact CH2-CG2 4.49Å; W434-I440 HydrophobicContact CZ3-CG2 3.47Å; W434-I440 VanDerWaalsContact CZ3-CG2 3.47Å; W434-R442 HydrophobicContact CB-CG 3.92Å; W434-R442 PolarHBondContact O-NE 3.44Å; W434-R442 PolarHBondContact O-NH2 2.9Å; W434-P443 HydrophobicContact CD2-CG 4.48Å; W434-P443 HydrophobicContact CE3-CG 4.33Å; W434-P443 HydrophobicContact CZ3-CG 4.39Å
435	N	56.7	Low	53.3	Low	41 Å²	41	70.1 Å²	70.1	22%	0.219	39%	0.39	C	S	.	.			trans	-115.6	123.6	175.7	-65.3	14	0	0	0	109.8	E398 T433 C437 E438	E398-N435 WeakPolarHBondContact OE1-CA 3.29Å; E398-N435 WeakPolarHBondContact OE1-CB 3.39Å; E398-N435 PolarHBondContact OE1-OD1 2.87Å; T433-N435 PolarHBondContact O-N 3.29Å; T433-N435 VanDerWaalsContact O-N 3.12Å; N435-C437 PolarHBondContact O-N 2.81Å; N435-E438 HydrophobicContact CB-CB 3.78Å; N435-E438 VanDerWaalsContact CB-CD 3.43Å; N435-E438 HydrophobicContact CB-CG 3.55Å; N435-E438 PolarHBondContact ND2-OE1 2.95Å; N435-E438 PolarHBondContact ND2-OE2 3.01Å; N435-E438 PolarHBondContact O-N 3.41Å
436	A	54.4	Low	54.9	Low	1 Å²	1	66.2 Å²	66.2	1%	0.008	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-20.1	-175.6	0	0	0	0	0	113.2	R374 L375 E398 R442	R374-A436 CarbonylContact C-O 3.54Å; R374-A436 VanDerWaalsContact CA-O 3.29Å; R374-A436 WeakPolarHBondContact CA-O 3.29Å; R374-A436 WeakPolarHBondContact CG-O 3.4Å; L375-A436 PolarHBondContact N-O 3.41Å; E398-A436 HydrophobicContact CB-CB 4.38Å; A436-R442 HydrophobicContact CB-CB 4.41Å; A436-R442 HydrophobicContact CB-CG 4.15Å
437	C	52.2	Low	56.9	Low	47 Å²	47	60.7 Å²	60.7	32%	0.318	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-17.5	174.9	-66	0	0	0	0	113.1	N435	N435-C437 PolarHBondContact O-N 2.81Å
438	E	60	Low	59	Low	89 Å²	89	53.7 Å²	53.7	42%	0.416	30%	0.296	S	S	.	.	S	Bend	trans	-83.8	171.1	177.6	-66.1	178.6	-174.3	0	0	111.4	N435 I440 G441	N435-E438 HydrophobicContact CB-CB 3.78Å; N435-E438 VanDerWaalsContact CB-CD 3.43Å; N435-E438 HydrophobicContact CB-CG 3.55Å; N435-E438 PolarHBondContact ND2-OE1 2.95Å; N435-E438 PolarHBondContact ND2-OE2 3.01Å; N435-E438 PolarHBondContact O-N 3.41Å; E438-I440 PolarHBondContact O-N 3.05Å; E438-I440 VanDerWaalsContact O-N 3.09Å; E438-G441 PolarHBondContact O-N 3.43Å
439	S	56.4	Low	60.9	Low	95 Å²	95	51 Å²	51	66%	0.664	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.3	-170.6	49.3	0	0	0	0	114.3
440	I	61.1	Low	63.1	Low	34 Å²	34	42.7 Å²	42.7	17%	0.174	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-28	-170.8	-59.9	170.7	0	0	0	111.9	I330 F332 T372 I432 W434 E438	I330-I440 HydrophobicContact CD1-CD1 3.92Å; I330-I440 HydrophobicContact CD1-CG1 4.32Å; I330-I440 HydrophobicContact CD1-CG2 4.29Å; F332-I440 HydrophobicContact CZ-CB 4.28Å; F332-I440 HydrophobicContact CZ-CG2 4.03Å; T372-I440 VanDerWaalsContact CB-O 3.28Å; T372-I440 WeakPolarHBondContact CB-O 3.22Å; T372-I440 PolarHBondContact OG1-O 2.89Å; I432-I440 HydrophobicContact CG2-CD1 4.37Å; W434-I440 HydrophobicContact CE3-CG2 3.66Å; W434-I440 HydrophobicContact CH2-CG2 4.49Å; W434-I440 HydrophobicContact CZ3-CG2 3.47Å; W434-I440 VanDerWaalsContact CZ3-CG2 3.47Å; E438-I440 PolarHBondContact O-N 3.05Å; E438-I440 VanDerWaalsContact O-N 3.09Å
441	G	65.3	Low	64.6	Low	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.199	C	C	.	.			trans	68.5	175.3	-173.5	0	0	0	0	0	113.3	V373 E438	V373-G441 WeakPolarHBondContact O-CA 3.29Å; E438-G441 PolarHBondContact O-N 3.43Å
442	R	69.1	Low	66	Low	52 Å²	52	31.7 Å²	31.7	20%	0.196	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-110.7	130.7	177.1	-82.6	-168.2	169.5	-158.7	-11.6	111.8	V373 E398 W434 A436 Y444	V373-R442 PolarHBondContact N-O 2.81Å; V373-R442 PolarHBondContact O-N 3.26Å; E398-R442 VanDerWaalsContact CB-CZ 3.44Å; E398-R442 IonicContact OE1-CZ 2.78Å; E398-R442 IonicContact OE1-NE 3.77Å; E398-R442 IonicContact OE1-NH2 3.24Å; E398-R442 PolarHBondContact OE1-NH2 3.43Å; E398-R442 IonicContact OE2-CZ 2.93Å; E398-R442 IonicContact OE2-NE 3.76Å; E398-R442 IonicContact OE2-NH1 2.66Å; E398-R442 PolarHBondContact OE2-NH1 2.93Å; E398-R442 IonicContact OE2-NH2 3.12Å; E398-R442 PolarHBondContact OE2-NH2 2.78Å; W434-R442 HydrophobicContact CB-CG 3.92Å; W434-R442 PolarHBondContact O-NE 3.44Å; W434-R442 PolarHBondContact O-NH2 2.9Å; A436-R442 HydrophobicContact CB-CB 4.41Å; A436-R442 HydrophobicContact CB-CG 4.15Å; R442-Y444 HydrophobicContact CB-CD2 4.24Å; R442-Y444 HydrophobicContact CB-CE1 4.3Å; R442-Y444 HydrophobicContact CB-CE2 3.67Å; R442-Y444 WeakPolarHBondContact O-CD2 3.39Å; R442-Y444 PolarHBondContact O-N 2.85Å
443	P	73.7	Confident	66.6	Low	2 Å²	2	30.3 Å²	30.3	1%	0.013	18%	0.179	C	C	.	.			trans	-79.1	95.8	170.9	31.1	-31.2	0	0	0	109.4	L370 V371 T372 P421 W434	L370-P443 HydrophobicContact CB-CB 4.33Å; L370-P443 HydrophobicContact CD1-CB 4.24Å; L370-P443 HydrophobicContact CD1-CG 4.48Å; V371-P443 WeakPolarHBondContact O-CA 3.27Å; T372-P443 HydrophobicContact CG2-CB 4.42Å; P421-P443 VanDerWaalsContact CD-O 3.26Å; P421-P443 WeakPolarHBondContact CD-O 3.42Å; P421-P443 HydrophobicContact CG-CB 4.4Å; W434-P443 HydrophobicContact CD2-CG 4.48Å; W434-P443 HydrophobicContact CE3-CG 4.33Å; W434-P443 HydrophobicContact CZ3-CG 4.39Å
444	Y	73.5	Confident	66.9	Low	3 Å²	3	32.6 Å²	32.6	1%	0.012	19%	0.187	C	C	.	.			trans	-79.7	142	174.8	-63.9	-78.7	0	0	0	111	V373 E398 L401 D419 R442 W446 A447 Q448	V373-Y444 HydrophobicContact CB-CD2 3.8Å; V373-Y444 HydrophobicContact CB-CE2 3.94Å; V373-Y444 HydrophobicContact CG2-CD2 3.89Å; E398-Y444 PolarHBondContact O-OH 3.39Å; L401-Y444 HydrophobicContact CB-CE1 3.87Å; L401-Y444 HydrophobicContact CB-CE2 3.78Å; L401-Y444 VanDerWaalsContact CB-CZ 3.43Å; L401-Y444 WeakPolarHBondContact CB-OH 3.14Å; L401-Y444 HydrophobicContact CD1-CE2 3.74Å; L401-Y444 HydrophobicContact CG-CE2 4.45Å; D419-Y444 HydrophobicContact CB-CD1 4.38Å; D419-Y444 WeakPolarHBondContact O-CA 3.44Å; R442-Y444 HydrophobicContact CB-CD2 4.24Å; R442-Y444 HydrophobicContact CB-CE1 4.3Å; R442-Y444 HydrophobicContact CB-CE2 3.67Å; R442-Y444 WeakPolarHBondContact O-CD2 3.39Å; R442-Y444 PolarHBondContact O-N 2.85Å; Y444-W446 VanDerWaalsContact C-N 3.32Å; Y444-W446 VanDerWaalsContact CB-CE2 3.45Å; Y444-W446 VanDerWaalsContact CB-NE1 3.3Å; Y444-W446 AromaticContact CD1-NE1 3.59Å; Y444-W446 AromaticContact CD2-CE2 3.9Å; Y444-W446 HydrophobicContact CD2-CH2 4.32Å; Y444-W446 AromaticContact CD2-CZ2 3.51Å; Y444-W446 HydrophobicContact CD2-CZ2 3.51Å; Y444-W446 HydrophobicContact CE2-CZ2 4.17Å; Y444-W446 AromaticContact CG-CE2 3.6Å; Y444-W446 AromaticContact CG-CZ2 3.73Å; Y444-W446 HydrophobicContact CG-CZ2 3.73Å; Y444-W446 AromaticContact CG-NE1 3.38Å; Y444-W446 PolarHBondContact O-N 2.96Å; Y444-A447 WeakPolarHBondContact O-CB 3.49Å; Y444-A447 PolarHBondContact O-N 3.15Å; Y444-Q448 PolarHBondContact O-N 3.19Å
445	S	71.4	Confident	66.3	Low	23 Å²	23	33.6 Å²	33.6	16%	0.161	20%	0.198	C	C	.	.	H	α-helix	trans	-53.2	-47.3	172.4	53.1	0	0	0	0	112.4	D419 A447 Q448 Q449	D419-S445 PolarHBondContact O-N 3.45Å; S445-A447 VanDerWaalsContact C-N 3.28Å; S445-A447 PolarHBondContact O-N 3.12Å; S445-Q448 WeakPolarHBondContact O-CB 3.35Å; S445-Q448 PolarHBondContact O-N 2.97Å; S445-Q448 VanDerWaalsContact O-N 3.15Å; S445-Q449 PolarHBondContact O-N 3.49Å; S445-Q449 PolarHBondContact O-OE1 2.8Å
446	W	77.3	Confident	65.7	Low	2 Å²	2	38.5 Å²	38.5	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-61.4	-34.5	176.7	62.2	-104.4	0	0	0	112.4	F362 V373 L401 L404 W406 Y444 Q448 Q449 L450 W484	F362-W446 HydrophobicContact CE1-CH2 4.17Å; F362-W446 AromaticContact CE1-CZ3 3.92Å; F362-W446 HydrophobicContact CE1-CZ3 3.92Å; F362-W446 HydrophobicContact CZ-CH2 4.44Å; F362-W446 HydrophobicContact CZ-CZ3 4.25Å; V373-W446 HydrophobicContact CG1-CH2 4.21Å; V373-W446 HydrophobicContact CG2-CH2 3.97Å; V373-W446 HydrophobicContact CG2-CZ2 4.49Å; L401-W446 HydrophobicContact CB-CZ2 4.24Å; L401-W446 HydrophobicContact CD1-CZ2 4.47Å; L401-W446 HydrophobicContact CD2-CZ2 4.46Å; L401-W446 PolarHBondContact O-NE1 2.79Å; L404-W446 HydrophobicContact CD1-CZ2 4.44Å; W406-W446 HydrophobicContact CD2-CB 3.81Å; W406-W446 HydrophobicContact CG-CB 3.86Å; Y444-W446 VanDerWaalsContact C-N 3.32Å; Y444-W446 VanDerWaalsContact CB-CE2 3.45Å; Y444-W446 VanDerWaalsContact CB-NE1 3.3Å; Y444-W446 AromaticContact CD1-NE1 3.59Å; Y444-W446 AromaticContact CD2-CE2 3.9Å; Y444-W446 HydrophobicContact CD2-CH2 4.32Å; Y444-W446 AromaticContact CD2-CZ2 3.51Å; Y444-W446 HydrophobicContact CD2-CZ2 3.51Å; Y444-W446 HydrophobicContact CE2-CZ2 4.17Å; Y444-W446 AromaticContact CG-CE2 3.6Å; Y444-W446 AromaticContact CG-CZ2 3.73Å; Y444-W446 HydrophobicContact CG-CZ2 3.73Å; Y444-W446 AromaticContact CG-NE1 3.38Å; Y444-W446 PolarHBondContact O-N 2.96Å; W446-Q448 VanDerWaalsContact C-N 3.29Å; W446-Q448 PolarHBondContact O-N 3.13Å; W446-Q449 PolarHBondContact O-N 3.1Å; W446-L450 HydrophobicContact CE3-CD1 3.71Å; W446-L450 HydrophobicContact CZ3-CD1 4.03Å; W446-L450 WeakPolarHBondContact O-CB 3.02Å; W446-L450 VanDerWaalsContact O-CG 3.24Å; W446-L450 WeakPolarHBondContact O-CG 3.25Å; W446-L450 PolarHBondContact O-N 2.85Å; W446-W484 AromaticContact CD2-NE1 3.52Å; W446-W484 AromaticContact CE2-NE1 3.96Å; W446-W484 AromaticContact CE3-CD1 3.89Å; W446-W484 AromaticContact CE3-CE2 3.7Å; W446-W484 HydrophobicContact CE3-CZ2 4.03Å; W446-W484 AromaticContact CE3-NE1 3.16Å; W446-W484 AromaticContact CH2-CZ2 3.68Å; W446-W484 HydrophobicContact CH2-CZ2 3.68Å; W446-W484 AromaticContact CH2-NE1 3.87Å; W446-W484 AromaticContact CZ3-CE2 3.48Å; W446-W484 VanDerWaalsContact CZ3-CE2 3.48Å; W446-W484 HydrophobicContact CZ3-CH2 4.34Å; W446-W484 AromaticContact CZ3-CZ2 3.31Å; W446-W484 HydrophobicContact CZ3-CZ2 3.31Å; W446-W484 AromaticContact CZ3-NE1 3.36Å
447	A	76.7	Confident	64.7	Low	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-70.1	-30.9	179.7	0	0	0	0	0	111.8	F362 V373 Y444 S445 S451	F362-A447 HydrophobicContact CE1-CB 4.37Å; V373-A447 HydrophobicContact CG2-CB 3.49Å; V373-A447 VanDerWaalsContact CG2-CB 3.49Å; Y444-A447 WeakPolarHBondContact O-CB 3.49Å; Y444-A447 PolarHBondContact O-N 3.15Å; S445-A447 VanDerWaalsContact C-N 3.28Å; S445-A447 PolarHBondContact O-N 3.12Å; A447-S451 WeakPolarHBondContact O-CB 3.01Å; A447-S451 PolarHBondContact O-N 2.93Å; A447-S451 PolarHBondContact O-OG 3.3Å
448	Q	80	Confident	63.7	Low	5 Å²	5	47 Å²	47	2%	0.023	27%	0.266	C	S	.	.	H	α-helix	trans	-72.2	-42.2	174.1	-65.8	178.8	-12.7	0	0	111.4	P421 Y444 S445 W446 S451 G452 I453 C455	P421-Q448 VanDerWaalsContact CG-OE1 3.29Å; Y444-Q448 PolarHBondContact O-N 3.19Å; S445-Q448 WeakPolarHBondContact O-CB 3.35Å; S445-Q448 PolarHBondContact O-N 2.97Å; S445-Q448 VanDerWaalsContact O-N 3.15Å; W446-Q448 VanDerWaalsContact C-N 3.29Å; W446-Q448 PolarHBondContact O-N 3.13Å; Q448-S451 WeakPolarHBondContact CA-OG 3.04Å; Q448-S451 CarbonylContact O-C 3.54Å; Q448-S451 PolarHBondContact O-N 3.4Å; Q448-S451 PolarHBondContact O-OG 3.41Å; Q448-G452 PolarHBondContact O-N 3.09Å; Q448-I453 CarbonylContact C-O 3.58Å; Q448-I453 HydrophobicContact CB-CB 4.3Å; Q448-I453 PolarHBondContact O-N 2.93Å; Q448-C455 PolarHBondContact OE1-SG 3.23Å; Q448-C455 VanDerWaalsContact OE1-SG 3.4Å
449	Q	75.3	Confident	62.2	Low	43 Å²	43	54.4 Å²	54.4	20%	0.201	29%	0.29	C	S	.	.	H	α-helix	trans	-66.2	-43.1	177.1	-72.2	166.9	-72.2	0	0	112	W406 S445 W446 S451 G452 F456	W406-Q449 HydrophobicContact CH2-CB 3.38Å; W406-Q449 HydrophobicContact CH2-CG 3.79Å; W406-Q449 VanDerWaalsContact CH2-NE2 3.28Å; W406-Q449 VanDerWaalsContact CH2-OE1 3.28Å; W406-Q449 HydrophobicContact CZ2-CB 4.05Å; W406-Q449 HydrophobicContact CZ2-CG 4.13Å; W406-Q449 HydrophobicContact CZ3-CB 3.85Å; S445-Q449 PolarHBondContact O-N 3.49Å; S445-Q449 PolarHBondContact O-OE1 2.8Å; W446-Q449 PolarHBondContact O-N 3.1Å; Q449-S451 PolarHBondContact O-N 3.33Å; Q449-G452 PolarHBondContact O-N 2.83Å; Q449-F456 VanDerWaalsContact CD-CE2 3.43Å; Q449-F456 HydrophobicContact CG-CE2 3.96Å
450	L	76.5	Confident	60.9	Low	6 Å²	6	57.4 Å²	57.4	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-62.4	-26.3	173.5	-70.8	-179.1	0	0	0	113.5	L246 W446 I481 W484	L246-L450 HydrophobicContact CD1-CB 3.8Å; W446-L450 HydrophobicContact CE3-CD1 3.71Å; W446-L450 HydrophobicContact CZ3-CD1 4.03Å; W446-L450 WeakPolarHBondContact O-CB 3.02Å; W446-L450 VanDerWaalsContact O-CG 3.24Å; W446-L450 WeakPolarHBondContact O-CG 3.25Å; W446-L450 PolarHBondContact O-N 2.85Å; L450-I481 HydrophobicContact CD2-CG1 3.67Å; L450-W484 HydrophobicContact CD1-CD2 3.65Å; L450-W484 HydrophobicContact CD1-CE3 3.89Å; L450-W484 HydrophobicContact CD1-CG 3.98Å; L450-W484 HydrophobicContact CD1-CH2 4.48Å; L450-W484 HydrophobicContact CD1-CZ2 4.28Å; L450-W484 HydrophobicContact CD1-CZ3 4.3Å
451	S	71.4	Confident	59.4	Low	1 Å²	1	60 Å²	60	1%	0.007	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	4.1	177.2	55.3	0	0	0	0	113.6	P242 V371 A447 Q448 Q449	P242-S451 WeakPolarHBondContact CA-O 3.5Å; P242-S451 WeakPolarHBondContact O-CB 3.42Å; V371-S451 WeakPolarHBondContact CG2-OG 3.46Å; A447-S451 WeakPolarHBondContact O-CB 3.01Å; A447-S451 PolarHBondContact O-N 2.93Å; A447-S451 PolarHBondContact O-OG 3.3Å; Q448-S451 WeakPolarHBondContact CA-OG 3.04Å; Q448-S451 CarbonylContact O-C 3.54Å; Q448-S451 PolarHBondContact O-N 3.4Å; Q448-S451 PolarHBondContact O-OG 3.41Å; Q449-S451 PolarHBondContact O-N 3.33Å
452	G	70	Confident	57.6	Low	50 Å²	50	67.1 Å²	67.1	52%	0.515	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	14.2	177.9	0	0	0	0	0	114.6	Q448 Q449	Q448-G452 PolarHBondContact O-N 3.09Å; Q449-G452 PolarHBondContact O-N 2.83Å
453	I	67.1	Low	55.8	Low	30 Å²	30	72.3 Å²	72.3	15%	0.154	39%	0.388	C	S	.	.			trans	-94.1	104.8	177.8	-49.2	172.9	0	0	0	108.7	P242 W364 V371 Q448 C455	P242-I453 HydrophobicContact CB-CD1 3.7Å; P242-I453 HydrophobicContact CB-CG1 3.89Å; P242-I453 HydrophobicContact CG-CD1 3.83Å; P242-I453 HydrophobicContact CG-CG1 3.98Å; W364-I453 HydrophobicContact CE3-CD1 4.47Å; W364-I453 HydrophobicContact CH2-CD1 3.65Å; W364-I453 HydrophobicContact CZ3-CD1 3.3Å; V371-I453 HydrophobicContact CG2-CD1 4.12Å; Q448-I453 CarbonylContact C-O 3.58Å; Q448-I453 HydrophobicContact CB-CB 4.3Å; Q448-I453 PolarHBondContact O-N 2.93Å; I453-C455 VanDerWaalsContact C-N 3.33Å; I453-C455 WeakPolarHBondContact CG2-SG 3.47Å; I453-C455 PolarHBondContact O-N 2.84Å
454	N	58	Low	53.6	Low	132 Å²	132	81.9 Å²	81.9	71%	0.706	43%	0.43	S	S	*	.			trans	-78.6	81	172.4	-72.1	-15.9	0	0	0	110.1	F456	N454-F456 PolarHBondContact O-N 3.45Å; N454-F456 VanDerWaalsContact O-N 3.1Å
455	C	47	Very low	51.4	Low	49 Å²	49	89.8 Å²	89.8	33%	0.331	47%	0.472	S	S	.	.			trans	-76.3	24.1	171.6	-72.6	0	0	0	0	113.8	Q448 I453 P457	Q448-C455 PolarHBondContact OE1-SG 3.23Å; Q448-C455 VanDerWaalsContact OE1-SG 3.4Å; I453-C455 VanDerWaalsContact C-N 3.33Å; I453-C455 WeakPolarHBondContact CG2-SG 3.47Å; I453-C455 PolarHBondContact O-N 2.84Å; C455-P457 WeakPolarHBondContact O-CD 3.31Å
456	F	43	Very low	49.4	Very low	144 Å²	144	94.6 Å²	94.6	63%	0.632	50%	0.504	S	S	*	.			trans	-100	104.9	177.7	-71.5	-87.9	0	0	0	111.4	Q449 N454	Q449-F456 VanDerWaalsContact CD-CE2 3.43Å; Q449-F456 HydrophobicContact CG-CE2 3.96Å; N454-F456 PolarHBondContact O-N 3.45Å; N454-F456 VanDerWaalsContact O-N 3.1Å
457	P	34.4	Very low	46.9	Very low	104 Å²	104	103.3 Å²	103.3	68%	0.675	54%	0.544	S	S	*	.			trans	-112.9	127.9	143.4	31.7	-20.7	0	0	0	110.1	C455	C455-P457 WeakPolarHBondContact O-CD 3.31Å
458	D	31.5	Very low	44.6	Very low	123 Å²	123	112.2 Å²	112.2	66%	0.658	59%	0.586	S	S	*	*			trans	70.7	101.7	147	-57.2	-29.2	0	0	0	121.1
459	R	27.9	Very low	42.4	Very low	244 Å²	244	117.4 Å²	117.4	92%	0.921	62%	0.623	S	S	*	*				-122.8	68.4	107.4	-78.2	-166.1	176.7	-177.9	0	110.8
460	L	28.8	Very low	40.1	Very low	158 Å²	158	121.4 Å²	121.4	83%	0.827	66%	0.655	S	S	*	*			trans	-85.6	87.3	148.4	-78	170	0	0	0	107.7
461	S	29.7	Very low	38	Very low	90 Å²	90	129.7 Å²	129.7	63%	0.629	69%	0.691	S	S	*	*			trans	-159.7	120.9	155.2	56.2	0	0	0	0	109
462	D	27.7	Very low	36	Very low	148 Å²	148	134.5 Å²	134.5	79%	0.791	73%	0.725	S	S	*	*	S	Bend	trans	87.5	69.1	170.1	-52	-21.8	0	0	0	116.5
463	N	30	Very low	34.2	Very low	161 Å²	161	136.8 Å²	136.8	86%	0.861	73%	0.729	S	S	*	*				-167.4	118.7	115	-90.1	-29.8	0	0	0	111.4	L465	N463-L465 PolarHBondContact O-N 2.92Å
464	K	28.2	Very low	32.8	Very low	203 Å²	203	144 Å²	144	88%	0.883	76%	0.762	S	S	*	*			trans	-55.2	118.1	164.8	-68.8	171.8	176.3	175.5	0	108.6
465	L	28.1	Very low	32	Very low	170 Å²	170	142.6 Å²	142.6	89%	0.89	76%	0.763	S	S	*	*			trans	165.2	134.1	141.5	-87.1	155.2	0	0	0	109.1	N463	N463-L465 PolarHBondContact O-N 2.92Å
466	C	27.7	Very low	32	Very low	123 Å²	123	145.2 Å²	145.2	83%	0.831	77%	0.77	S	S	*	*			trans	88.8	70.7	178.6	-75.9	0	0	0	0	117.8	Q468	C466-Q468 PolarHBondContact O-N 3.16Å
467	E	25.3	Very low	32.4	Very low	185 Å²	185	143.8 Å²	143.8	86%	0.864	77%	0.765	S	S	*	*			trans	-58.5	117.5	130.3	-68.3	173.8	163	0	0	108.5
468	Q	28.7	Very low	33.1	Very low	188 Å²	188	143.9 Å²	143.9	88%	0.879	76%	0.755	S	S	*	*			trans	147.5	83.8	151.9	-80.8	167.8	33	0	0	111.4	C466	C466-Q468 PolarHBondContact O-N 3.16Å
469	S	33.1	Very low	34.4	Very low	114 Å²	114	140.1 Å²	140.1	80%	0.797	75%	0.746	S	S	*	*			trans	-178.5	70.4	140.8	57.4	0	0	0	0	110.8	K471	S469-K471 PolarHBondContact O-N 3.08Å; S469-K471 VanDerWaalsContact O-N 3.13Å
470	S	27.6	Very low	36.3	Very low	126 Å²	126	130.5 Å²	130.5	88%	0.881	71%	0.711	S	S	*	*			trans	-72.6	91.6	158	51.2	0	0	0	0	108.7
471	K	32	Very low	38.5	Very low	180 Å²	180	123.2 Å²	123.2	78%	0.783	67%	0.673	S	S	*	*			trans	-137.9	91.4	165.8	-78.8	-172.1	178.4	178.9	0	109.4	S469 T473	S469-K471 PolarHBondContact O-N 3.08Å; S469-K471 VanDerWaalsContact O-N 3.13Å; K471-T473 PolarHBondContact O-N 3.11Å
472	S	29.1	Very low	40.6	Very low	103 Å²	103	122.8 Å²	122.8	72%	0.72	66%	0.661	S	S	*	*			trans	17.7	91.5	145.3	57	0	0	0	0	117.4	E474	S472-E474 PolarHBondContact O-N 3.09Å
473	T	34.2	Very low	43	Very low	97 Å²	97	117.7 Å²	117.7	60%	0.595	64%	0.637	S	S	*	*			trans	-92.9	70.8	161.1	17.5	0	0	0	0	109.2	K471 S475 E476	K471-T473 PolarHBondContact O-N 3.11Å; T473-S475 VanDerWaalsContact C-N 3.33Å; T473-E476 HydrophobicContact CG2-CG 4.37Å
474	E	36.3	Very low	45.4	Very low	182 Å²	182	110 Å²	110	85%	0.85	60%	0.596	S	S	*	*			trans	-90.2	5.2	174	-70.2	-176.7	168.2	0	0	112.5	S472	S472-E474 PolarHBondContact O-N 3.09Å
475	S	41.8	Very low	47.7	Very low	103 Å²	103	100.5 Å²	100.5	72%	0.72	56%	0.555	S	S	*	*	S	Bend	trans	-115	3	-167.7	54.8	0	0	0	0	117.1	T473	T473-S475 VanDerWaalsContact C-N 3.33Å
476	E	46.5	Very low	50.1	Low	104 Å²	104	96.5 Å²	96.5	49%	0.486	53%	0.53	S	S	.	.			trans	-101.9	-15.6	-165.7	-67	-175.9	169.5	0	0	116.1	T473 F478 G479	T473-E476 HydrophobicContact CG2-CG 4.37Å; E476-F478 PolarHBondContact O-N 2.7Å; E476-F478 VanDerWaalsContact O-N 3.09Å; E476-G479 PolarHBondContact O-N 3.24Å; E476-G479 VanDerWaalsContact O-N 3.11Å
477	H	50.8	Low	52.5	Low	113 Å²	113	92.3 Å²	92.3	52%	0.523	50%	0.502	S	S	.	.	H	α-helix	trans	-61.7	-26.6	-174.4	-66.9	-52.5	0	0	0	115.2	E480	H477-E480 IonicContact ND1-OE2 3.6Å; H477-E480 PolarHBondContact ND1-OE2 3.31Å; H477-E480 VanDerWaalsContact ND1-OE2 3.12Å
478	F	49.3	Very low	55.1	Low	106 Å²	106	83.7 Å²	83.7	47%	0.465	46%	0.462	S	S	.	.	H	α-helix	trans	-73.6	-32	179.7	-135.5	-88.7	0	0	0	112.5	E476 E480	E476-F478 PolarHBondContact O-N 2.7Å; E476-F478 VanDerWaalsContact O-N 3.09Å; F478-E480 VanDerWaalsContact C-N 3.34Å
479	G	59.5	Low	57.4	Low	45 Å²	45	75.7 Å²	75.7	46%	0.464	43%	0.425	S	S	.	.	H	α-helix	trans	-70.8	-32.3	177.3	0	0	0	0	0	112.4	E476 I481 E482 S483	E476-G479 PolarHBondContact O-N 3.24Å; E476-G479 VanDerWaalsContact O-N 3.11Å; G479-I481 VanDerWaalsContact C-N 3.34Å; G479-I481 PolarHBondContact O-N 3.46Å; G479-E482 PolarHBondContact O-N 3.16Å; G479-S483 PolarHBondContact O-N 2.95Å; G479-S483 PolarHBondContact O-OG 3.22Å
480	E	67.3	Low	59.5	Low	42 Å²	42	72.3 Å²	72.3	20%	0.196	40%	0.401	C	S	.	.	H	α-helix	trans	-65.3	-33.4	-179.5	-64.2	175.2	160.9	0	0	112.9	W406 H477 F478 S483 W484	W406-E480 HydrophobicContact CE3-CB 4.23Å; W406-E480 HydrophobicContact CZ3-CB 4.12Å; W406-E480 HydrophobicContact CZ3-CG 4.26Å; H477-E480 IonicContact ND1-OE2 3.6Å; H477-E480 PolarHBondContact ND1-OE2 3.31Å; H477-E480 VanDerWaalsContact ND1-OE2 3.12Å; F478-E480 VanDerWaalsContact C-N 3.34Å; E480-S483 WeakPolarHBondContact CA-OG 3.36Å; E480-S483 PolarHBondContact O-OG 3.39Å; E480-W484 WeakPolarHBondContact O-CB 3.41Å; E480-W484 PolarHBondContact O-N 2.99Å
481	I	75.2	Confident	61.9	Low	4 Å²	4	67 Å²	67	2%	0.021	36%	0.362	C	S	.	.	H	α-helix	trans	-73.2	-44	178.4	-65	152.5	0	0	0	110.8	L249 Y253 L450 G479 W484 L485	L249-I481 HydrophobicContact CB-CD1 3.69Å; L249-I481 HydrophobicContact CD1-CD1 4.09Å; L249-I481 HydrophobicContact CD2-CD1 3.89Å; L249-I481 HydrophobicContact CG-CD1 4.08Å; Y253-I481 HydrophobicContact CD2-CG2 4.26Å; Y253-I481 HydrophobicContact CG-CG2 4.14Å; L450-I481 HydrophobicContact CD2-CG1 3.67Å; G479-I481 VanDerWaalsContact C-N 3.34Å; G479-I481 PolarHBondContact O-N 3.46Å; I481-W484 PolarHBondContact O-N 2.6Å; I481-L485 WeakPolarHBondContact O-CB 3.13Å; I481-L485 PolarHBondContact O-N 3.26Å
482	E	74.8	Confident	64	Low	82 Å²	82	59.2 Å²	59.2	38%	0.383	33%	0.328	S	S	.	.	H	α-helix	trans	-64.5	-43.9	178.8	-174.4	177.7	173.4	0	0	110.8	Y253 G479 K486	Y253-E482 HydrophobicContact CE2-CB 3.8Å; Y253-E482 HydrophobicContact CE2-CG 3.97Å; G479-E482 PolarHBondContact O-N 3.16Å; E482-K486 HydrophobicContact CG-CD 4.17Å; E482-K486 VanDerWaalsContact O-CB 3.31Å; E482-K486 WeakPolarHBondContact O-CB 3.38Å; E482-K486 VanDerWaalsContact O-CG 3.28Å; E482-K486 WeakPolarHBondContact O-CG 3.35Å; E482-K486 PolarHBondContact O-N 2.86Å; E482-K486 WeakPolarHBondContact OE1-CE 3.22Å; E482-K486 IonicContact OE1-NZ 2.74Å; E482-K486 PolarHBondContact OE1-NZ 3.47Å
483	S	77.2	Confident	66.2	Low	41 Å²	41	55.5 Å²	55.5	29%	0.287	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-48.2	174.9	64.1	0	0	0	0	110.9	W406 G479 E480 L485 K486 S487	W406-S483 PolarHBondContact O-OG 3.2Å; G479-S483 PolarHBondContact O-N 2.95Å; G479-S483 PolarHBondContact O-OG 3.22Å; E480-S483 WeakPolarHBondContact CA-OG 3.36Å; E480-S483 PolarHBondContact O-OG 3.39Å; S483-L485 PolarHBondContact O-N 3.2Å; S483-K486 PolarHBondContact O-N 3.41Å; S483-S487 VanDerWaalsContact O-CB 3.26Å; S483-S487 WeakPolarHBondContact O-CB 3.35Å; S483-S487 PolarHBondContact O-N 2.79Å; S483-S487 PolarHBondContact O-OG 2.95Å; S483-S487 VanDerWaalsContact O-OG 3.05Å
484	W	81.1	Confident	68.3	Low	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-57.8	-48.2	178.1	170.5	77.6	0	0	0	112	L250 L339 L360 F362 W406 W446 L450 E480 I481 S487 L488	L250-W484 HydrophobicContact CD2-CZ3 4.12Å; L339-W484 HydrophobicContact CD2-CH2 3.57Å; L339-W484 HydrophobicContact CD2-CZ3 3.87Å; L360-W484 HydrophobicContact CD1-CH2 4.41Å; F362-W484 HydrophobicContact CZ-CH2 4.27Å; F362-W484 HydrophobicContact CZ-CZ2 4.49Å; W406-W484 HydrophobicContact CB-CB 4.08Å; W446-W484 AromaticContact CD2-NE1 3.52Å; W446-W484 AromaticContact CE2-NE1 3.96Å; W446-W484 AromaticContact CE3-CD1 3.89Å; W446-W484 AromaticContact CE3-CE2 3.7Å; W446-W484 HydrophobicContact CE3-CZ2 4.03Å; W446-W484 AromaticContact CE3-NE1 3.16Å; W446-W484 AromaticContact CH2-CZ2 3.68Å; W446-W484 HydrophobicContact CH2-CZ2 3.68Å; W446-W484 AromaticContact CH2-NE1 3.87Å; W446-W484 AromaticContact CZ3-CE2 3.48Å; W446-W484 VanDerWaalsContact CZ3-CE2 3.48Å; W446-W484 HydrophobicContact CZ3-CH2 4.34Å; W446-W484 AromaticContact CZ3-CZ2 3.31Å; W446-W484 HydrophobicContact CZ3-CZ2 3.31Å; W446-W484 AromaticContact CZ3-NE1 3.36Å; L450-W484 HydrophobicContact CD1-CD2 3.65Å; L450-W484 HydrophobicContact CD1-CE3 3.89Å; L450-W484 HydrophobicContact CD1-CG 3.98Å; L450-W484 HydrophobicContact CD1-CH2 4.48Å; L450-W484 HydrophobicContact CD1-CZ2 4.28Å; L450-W484 HydrophobicContact CD1-CZ3 4.3Å; E480-W484 WeakPolarHBondContact O-CB 3.41Å; E480-W484 PolarHBondContact O-N 2.99Å; I481-W484 PolarHBondContact O-N 2.6Å; W484-S487 CarbonylContact O-C 3.53Å; W484-S487 WeakPolarHBondContact O-CB 3.31Å; W484-S487 PolarHBondContact O-N 3.28Å; W484-L488 HydrophobicContact CH2-CD1 4.16Å; W484-L488 HydrophobicContact CZ2-CD1 3.6Å; W484-L488 VanDerWaalsContact O-CB 3.29Å; W484-L488 WeakPolarHBondContact O-CB 3.39Å; W484-L488 PolarHBondContact O-N 3Å
485	L	77.1	Confident	70.3	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-73	-33.9	-174.4	-176.8	138.6	0	0	0	111.9	Y253 F263 I481 S483 Q489	Y253-L485 HydrophobicContact CD1-CD1 4.02Å; Y253-L485 HydrophobicContact CD1-CD2 4.4Å; Y253-L485 HydrophobicContact CE1-CD1 3.81Å; Y253-L485 HydrophobicContact CE1-CD2 3.39Å; Y253-L485 HydrophobicContact CE1-CG 4.17Å; Y253-L485 WeakPolarHBondContact OH-CD2 3.24Å; F263-L485 HydrophobicContact CD1-CD1 3.78Å; F263-L485 HydrophobicContact CD1-CD2 4.27Å; F263-L485 HydrophobicContact CD1-CG 4.16Å; F263-L485 HydrophobicContact CD2-CD2 4.21Å; F263-L485 HydrophobicContact CE1-CD1 3.6Å; F263-L485 HydrophobicContact CE1-CD2 3.5Å; F263-L485 VanDerWaalsContact CE1-CD2 3.5Å; F263-L485 HydrophobicContact CE1-CG 3.44Å; F263-L485 VanDerWaalsContact CE1-CG 3.44Å; F263-L485 HydrophobicContact CE2-CD2 3.44Å; F263-L485 VanDerWaalsContact CE2-CD2 3.44Å; F263-L485 HydrophobicContact CE2-CG 4.33Å; F263-L485 HydrophobicContact CG-CD1 4.34Å; F263-L485 HydrophobicContact CZ-CD1 4.03Å; F263-L485 HydrophobicContact CZ-CD2 3Å; F263-L485 HydrophobicContact CZ-CG 3.53Å; I481-L485 WeakPolarHBondContact O-CB 3.13Å; I481-L485 PolarHBondContact O-N 3.26Å; S483-L485 PolarHBondContact O-N 3.2Å; L485-Q489 PolarHBondContact O-N 3.44Å
486	K	77.4	Confident	71.9	Confident	86 Å²	86	38.1 Å²	38.1	37%	0.374	20%	0.201	S	C	.	.	H	α-helix	trans	-66.6	-43.8	167.3	-75.6	178.7	-175.8	170.8	0	112.1	E482 S483 L488 Q489 S490 V675	E482-K486 HydrophobicContact CG-CD 4.17Å; E482-K486 VanDerWaalsContact O-CB 3.31Å; E482-K486 WeakPolarHBondContact O-CB 3.38Å; E482-K486 VanDerWaalsContact O-CG 3.28Å; E482-K486 WeakPolarHBondContact O-CG 3.35Å; E482-K486 PolarHBondContact O-N 2.86Å; E482-K486 WeakPolarHBondContact OE1-CE 3.22Å; E482-K486 IonicContact OE1-NZ 2.74Å; E482-K486 PolarHBondContact OE1-NZ 3.47Å; S483-K486 PolarHBondContact O-N 3.41Å; K486-L488 VanDerWaalsContact C-N 3.28Å; K486-L488 PolarHBondContact O-N 2.8Å; K486-Q489 PolarHBondContact O-N 3.27Å; K486-S490 WeakPolarHBondContact O-CB 3.39Å; K486-S490 PolarHBondContact O-N 2.59Å; K486-V675 HydrophobicContact CD-CG2 4.41Å
487	S	77.5	Confident	73.3	Confident	35 Å²	35	33.9 Å²	33.9	25%	0.245	18%	0.181	C	C	.	.	H	α-helix	trans	-61.1	-39.9	175.8	-73	0	0	0	0	111.1	Q405 S483 W484 S490 R491	Q405-S487 PolarHBondContact O-OG 2.95Å; S483-S487 VanDerWaalsContact O-CB 3.26Å; S483-S487 WeakPolarHBondContact O-CB 3.35Å; S483-S487 PolarHBondContact O-N 2.79Å; S483-S487 PolarHBondContact O-OG 2.95Å; S483-S487 VanDerWaalsContact O-OG 3.05Å; W484-S487 CarbonylContact O-C 3.53Å; W484-S487 WeakPolarHBondContact O-CB 3.31Å; W484-S487 PolarHBondContact O-N 3.28Å; S487-S490 PolarHBondContact O-N 3.15Å; S487-R491 VanDerWaalsContact O-CB 3.23Å; S487-R491 WeakPolarHBondContact O-CB 3.21Å; S487-R491 PolarHBondContact O-N 2.96Å
488	L	79.8	Confident	74.7	Confident	4 Å²	4	28.5 Å²	28.5	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-66	-48.2	175.8	-175.8	141.9	0	0	0	111.4	V341 L360 L401 W484 K486 R491 I492	V341-L488 HydrophobicContact CB-CD2 4.32Å; V341-L488 HydrophobicContact CG1-CD2 4.06Å; V341-L488 HydrophobicContact CG2-CD2 3.87Å; L360-L488 HydrophobicContact CD1-CD1 3.71Å; L401-L488 HydrophobicContact CD2-CD1 3.96Å; W484-L488 HydrophobicContact CH2-CD1 4.16Å; W484-L488 HydrophobicContact CZ2-CD1 3.6Å; W484-L488 VanDerWaalsContact O-CB 3.29Å; W484-L488 WeakPolarHBondContact O-CB 3.39Å; W484-L488 PolarHBondContact O-N 3Å; K486-L488 VanDerWaalsContact C-N 3.28Å; K486-L488 PolarHBondContact O-N 2.8Å; L488-R491 PolarHBondContact O-N 3.04Å; L488-I492 HydrophobicContact CD2-CD1 3.5Å; L488-I492 VanDerWaalsContact CD2-CD1 3.5Å; L488-I492 HydrophobicContact CG-CD1 4.23Å; L488-I492 WeakPolarHBondContact O-CD1 3.32Å; L488-I492 VanDerWaalsContact O-CG1 3.23Å; L488-I492 WeakPolarHBondContact O-CG1 3.44Å; L488-I492 PolarHBondContact O-N 3.19Å
489	Q	77.4	Confident	76.1	Confident	21 Å²	21	24.2 Å²	24.2	10%	0.098	14%	0.138	C	C	.	.	H	α-helix	trans	-58.5	-48.2	173.6	-82.2	-170	-33.9	0	0	111.7	E262 F263 V341 L485 K486 R491 I492 I493	E262-Q489 PolarHBondContact OE2-NE2 3.34Å; F263-Q489 HydrophobicContact CE1-CG 4.18Å; F263-Q489 VanDerWaalsContact CE2-NE2 3.32Å; F263-Q489 HydrophobicContact CZ-CG 3.68Å; V341-Q489 HydrophobicContact CG1-CG 4.15Å; L485-Q489 PolarHBondContact O-N 3.44Å; K486-Q489 PolarHBondContact O-N 3.27Å; Q489-R491 VanDerWaalsContact C-N 3.34Å; Q489-R491 PolarHBondContact O-N 2.95Å; Q489-I492 PolarHBondContact O-N 3.28Å; Q489-I493 WeakPolarHBondContact O-CD1 3.23Å; Q489-I493 WeakPolarHBondContact O-CG1 3.46Å; Q489-I493 PolarHBondContact O-N 2.8Å
490	S	77.2	Confident	76.9	Confident	43 Å²	43	23.7 Å²	23.7	30%	0.301	12%	0.123	S	C	.	.	H	α-helix	trans	-57.3	-49.5	178.2	-168.3	0	0	0	0	110.4	K486 S487 I492 I493 D494	K486-S490 WeakPolarHBondContact O-CB 3.39Å; K486-S490 PolarHBondContact O-N 2.59Å; S487-S490 PolarHBondContact O-N 3.15Å; S490-I492 VanDerWaalsContact C-N 3.32Å; S490-I492 PolarHBondContact O-N 3.44Å; S490-I493 CarbonylContact O-C 3.59Å; S490-I493 PolarHBondContact O-N 2.98Å; S490-I493 VanDerWaalsContact O-N 3.09Å; S490-D494 WeakPolarHBondContact O-CB 3.45Å; S490-D494 PolarHBondContact O-N 3.29Å; S490-D494 PolarHBondContact OG-OD2 3.39Å
491	R	78.1	Confident	77.5	Confident	15 Å²	15	21.9 Å²	21.9	6%	0.057	12%	0.115	C	C	.	.	H	α-helix	trans	-58.6	-42.1	179.9	179.9	62	68	83.2	0.3	112.3	S402 S403 L404 S487 L488 Q489 D494 R495 P581	S402-R491 PolarHBondContact O-NH1 2.91Å; S402-R491 VanDerWaalsContact O-NH1 3.12Å; S403-R491 PolarHBondContact O-NH2 3.47Å; L404-R491 HydrophobicContact CD2-CB 4.09Å; L404-R491 HydrophobicContact CD2-CG 4.4Å; S487-R491 VanDerWaalsContact O-CB 3.23Å; S487-R491 WeakPolarHBondContact O-CB 3.21Å; S487-R491 PolarHBondContact O-N 2.96Å; L488-R491 PolarHBondContact O-N 3.04Å; Q489-R491 VanDerWaalsContact C-N 3.34Å; Q489-R491 PolarHBondContact O-N 2.95Å; R491-D494 PolarHBondContact O-N 3.09Å; R491-R495 WeakPolarHBondContact O-CB 3.2Å; R491-R495 WeakPolarHBondContact O-CG 3.43Å; R491-R495 PolarHBondContact O-N 3.35Å; R491-P581 PolarHBondContact NE-O 3.42Å; R491-P581 PolarHBondContact NH1-O 3.41Å; R491-P581 VanDerWaalsContact NH1-O 3.1Å
492	I	76.4	Confident	77.7	Confident	16 Å²	16	21.7 Å²	21.7	8%	0.082	11%	0.114	C	C	.	.	H	α-helix	trans	-62.2	-47.7	176.5	-66.9	163.3	0	0	0	110.1	V341 V343 F356 I358 L488 Q489 S490 D494 R495 L496	V341-I492 HydrophobicContact CG1-CD1 4.32Å; V343-I492 HydrophobicContact CG2-CG2 3.77Å; F356-I492 HydrophobicContact CD1-CG2 4.16Å; F356-I492 HydrophobicContact CE1-CG2 3.78Å; I358-I492 HydrophobicContact CD1-CB 4.45Å; I358-I492 HydrophobicContact CD1-CD1 3.49Å; I358-I492 VanDerWaalsContact CD1-CD1 3.49Å; I358-I492 HydrophobicContact CD1-CG1 3.56Å; I358-I492 HydrophobicContact CD1-CG2 4.03Å; I358-I492 HydrophobicContact CG1-CD1 4.22Å; L488-I492 HydrophobicContact CD2-CD1 3.5Å; L488-I492 VanDerWaalsContact CD2-CD1 3.5Å; L488-I492 HydrophobicContact CG-CD1 4.23Å; L488-I492 WeakPolarHBondContact O-CD1 3.32Å; L488-I492 VanDerWaalsContact O-CG1 3.23Å; L488-I492 WeakPolarHBondContact O-CG1 3.44Å; L488-I492 PolarHBondContact O-N 3.19Å; Q489-I492 PolarHBondContact O-N 3.28Å; S490-I492 VanDerWaalsContact C-N 3.32Å; S490-I492 PolarHBondContact O-N 3.44Å; I492-D494 VanDerWaalsContact C-N 3.33Å; I492-D494 PolarHBondContact O-N 2.96Å; I492-R495 PolarHBondContact O-N 3.23Å; I492-L496 HydrophobicContact CG2-CD1 4.13Å; I492-L496 HydrophobicContact CG2-CG 4.46Å; I492-L496 WeakPolarHBondContact O-CG 3.23Å; I492-L496 PolarHBondContact O-N 3.19Å
493	I	76.4	Confident	77.9	Confident	24 Å²	24	18.4 Å²	18.4	12%	0.123	10%	0.1	C	C	.	.	H	α-helix	trans	-62.7	-43.8	-179.7	-63.1	164.7	0	0	0	110.2	V343 I349 Q489 S490 R495 L496 Y497	V343-I493 HydrophobicContact CG1-CG1 4.03Å; I349-I493 HydrophobicContact CD1-CG2 3.82Å; Q489-I493 WeakPolarHBondContact O-CD1 3.23Å; Q489-I493 WeakPolarHBondContact O-CG1 3.46Å; Q489-I493 PolarHBondContact O-N 2.8Å; S490-I493 CarbonylContact O-C 3.59Å; S490-I493 PolarHBondContact O-N 2.98Å; S490-I493 VanDerWaalsContact O-N 3.09Å; I493-R495 VanDerWaalsContact C-N 3.31Å; I493-R495 PolarHBondContact O-N 2.83Å; I493-L496 PolarHBondContact O-N 3.17Å; I493-Y497 HydrophobicContact CG2-CD2 3.72Å; I493-Y497 HydrophobicContact CG2-CE2 3.49Å; I493-Y497 VanDerWaalsContact CG2-CE2 3.49Å; I493-Y497 VanDerWaalsContact O-CD2 3.23Å; I493-Y497 WeakPolarHBondContact O-CD2 3.47Å; I493-Y497 PolarHBondContact O-N 3.44Å
494	D	77.4	Confident	77.9	Confident	5 Å²	5	18 Å²	18	3%	0.027	9%	0.094	C	C	.	.	H	α-helix	trans	-59.9	-41.2	177.4	-68.4	-31.6	0	0	0	111.9	S490 R491 I492 Y497 L498 P584 R682	S490-D494 WeakPolarHBondContact O-CB 3.45Å; S490-D494 PolarHBondContact O-N 3.29Å; S490-D494 PolarHBondContact OG-OD2 3.39Å; R491-D494 PolarHBondContact O-N 3.09Å; I492-D494 VanDerWaalsContact C-N 3.33Å; I492-D494 PolarHBondContact O-N 2.96Å; D494-Y497 PolarHBondContact O-N 3.37Å; D494-L498 WeakPolarHBondContact O-CB 3.4Å; D494-L498 PolarHBondContact O-N 3.34Å; D494-P584 WeakPolarHBondContact OD2-CD 3.48Å; D494-R682 IonicContact OD1-CZ 3.12Å; D494-R682 IonicContact OD1-NE 2.67Å; D494-R682 IonicContact OD1-NH1 3.38Å; D494-R682 PolarHBondContact OD1-NH1 3.21Å
495	R	77.2	Confident	77.9	Confident	1 Å²	1	18.1 Å²	18.1	0%	0.004	9%	0.094	C	C	.	.	H	α-helix	trans	-70.1	-37.5	176	-69	-68.1	-167.3	164.1	13.8	112.3	L400 R491 I492 I493 L498 I499 P581	L400-R495 HydrophobicContact CD2-CB 4.18Å; L400-R495 HydrophobicContact CD2-CG 3.67Å; R491-R495 WeakPolarHBondContact O-CB 3.2Å; R491-R495 WeakPolarHBondContact O-CG 3.43Å; R491-R495 PolarHBondContact O-N 3.35Å; I492-R495 PolarHBondContact O-N 3.23Å; I493-R495 VanDerWaalsContact C-N 3.31Å; I493-R495 PolarHBondContact O-N 2.83Å; R495-L498 PolarHBondContact O-N 2.78Å; R495-I499 VanDerWaalsContact O-CD1 3.29Å; R495-I499 WeakPolarHBondContact O-CD1 3.41Å; R495-I499 WeakPolarHBondContact O-CG1 3.39Å; R495-I499 PolarHBondContact O-N 3.49Å; R495-P581 VanDerWaalsContact NH2-CA 3.27Å; R495-P581 PolarHBondContact NH2-O 2.75Å
496	L	75.7	Confident	78	Confident	11 Å²	11	20.8 Å²	20.8	6%	0.058	11%	0.106	C	C	.	.	H	α-helix	trans	-62.2	-43.6	173.7	-71.4	174	0	0	0	111.5	V343 L351 F356 I492 I493 I499 E500	V343-L496 HydrophobicContact CG2-CD1 4.2Å; L351-L496 HydrophobicContact CD1-CB 4.43Å; F356-L496 HydrophobicContact CD1-CD1 4.05Å; F356-L496 HydrophobicContact CD1-CD2 4.48Å; F356-L496 HydrophobicContact CE1-CD1 4.44Å; F356-L496 HydrophobicContact CE1-CD2 4.39Å; F356-L496 HydrophobicContact CG-CD1 4.49Å; F356-L496 HydrophobicContact CZ-CD2 4.43Å; I492-L496 HydrophobicContact CG2-CD1 4.13Å; I492-L496 HydrophobicContact CG2-CG 4.46Å; I492-L496 WeakPolarHBondContact O-CG 3.23Å; I492-L496 PolarHBondContact O-N 3.19Å; I493-L496 PolarHBondContact O-N 3.17Å; L496-I499 PolarHBondContact O-N 3.02Å; L496-E500 PolarHBondContact O-N 2.87Å
497	Y	77.1	Confident	77.9	Confident	16 Å²	16	22 Å²	22	6%	0.063	11%	0.109	C	C	.	.	H	α-helix	trans	-62.9	-43.4	173.4	-80.8	-62.8	0	0	0	112.2	I349 I493 D494 I499 E500 E501 K679 R682	I349-Y497 HydrophobicContact CD1-CE2 3.99Å; I349-Y497 HydrophobicContact CG1-CE1 3.99Å; I349-Y497 HydrophobicContact CG1-CE2 4.08Å; I349-Y497 VanDerWaalsContact CG1-OH 3.28Å; I349-Y497 WeakPolarHBondContact CG1-OH 3.33Å; I493-Y497 HydrophobicContact CG2-CD2 3.72Å; I493-Y497 HydrophobicContact CG2-CE2 3.49Å; I493-Y497 VanDerWaalsContact CG2-CE2 3.49Å; I493-Y497 VanDerWaalsContact O-CD2 3.23Å; I493-Y497 WeakPolarHBondContact O-CD2 3.47Å; I493-Y497 PolarHBondContact O-N 3.44Å; D494-Y497 PolarHBondContact O-N 3.37Å; Y497-I499 VanDerWaalsContact C-N 3.28Å; Y497-I499 PolarHBondContact O-N 3.28Å; Y497-E500 WeakPolarHBondContact O-CB 3.29Å; Y497-E500 PolarHBondContact O-N 3.14Å; Y497-E500 VanDerWaalsContact O-N 3.16Å; Y497-E501 WeakPolarHBondContact O-CB 3.45Å; Y497-E501 PolarHBondContact O-N 2.69Å; Y497-K679 HydrophobicContact CE1-CG 4.01Å; Y497-R682 VanDerWaalsContact CD2-CD 3.48Å
498	L	80.6	Confident	77.6	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.3	-34.9	177	179.1	144.7	0	0	0	112	L394 D494 R495 E501 L502 I579 Y583	L394-L498 HydrophobicContact CD1-CD2 3.14Å; D494-L498 WeakPolarHBondContact O-CB 3.4Å; D494-L498 PolarHBondContact O-N 3.34Å; R495-L498 PolarHBondContact O-N 2.78Å; L498-E501 PolarHBondContact O-N 3.09Å; L498-L502 HydrophobicContact CD2-CD1 3.53Å; L498-L502 HydrophobicContact CD2-CG 4.08Å; L498-L502 HydrophobicContact CG-CD1 4.39Å; L498-L502 HydrophobicContact CG-CG 4.45Å; L498-L502 WeakPolarHBondContact O-CB 3.32Å; L498-L502 VanDerWaalsContact O-CG 3.25Å; L498-L502 WeakPolarHBondContact O-CG 3.4Å; L498-L502 PolarHBondContact O-N 3.33Å; L498-I579 HydrophobicContact CD1-CD1 4.13Å; L498-I579 HydrophobicContact CD1-CG2 3.86Å; L498-Y583 HydrophobicContact CB-CD1 4.23Å; L498-Y583 HydrophobicContact CB-CE1 4.1Å; L498-Y583 HydrophobicContact CD1-CD1 3.37Å; L498-Y583 HydrophobicContact CD1-CD2 4.46Å; L498-Y583 HydrophobicContact CD1-CE1 3.6Å; L498-Y583 HydrophobicContact CD1-CG 3.83Å; L498-Y583 HydrophobicContact CG-CD1 4.39Å; L498-Y583 HydrophobicContact CG-CE1 4.32Å
499	I	77.6	Confident	77.4	Confident	15 Å²	15	27.1 Å²	27.1	8%	0.077	14%	0.137	C	C	.	.	H	α-helix	trans	-68.1	-38.4	175	-69.4	158.5	0	0	0	111.2	L395 R495 L496 Y497 S503	L395-I499 HydrophobicContact CD1-CD1 3.57Å; L395-I499 HydrophobicContact CD2-CD1 3.54Å; L395-I499 HydrophobicContact CG-CD1 3.34Å; R495-I499 VanDerWaalsContact O-CD1 3.29Å; R495-I499 WeakPolarHBondContact O-CD1 3.41Å; R495-I499 WeakPolarHBondContact O-CG1 3.39Å; R495-I499 PolarHBondContact O-N 3.49Å; L496-I499 PolarHBondContact O-N 3.02Å; Y497-I499 VanDerWaalsContact C-N 3.28Å; Y497-I499 PolarHBondContact O-N 3.28Å; I499-S503 VanDerWaalsContact O-CB 3.31Å; I499-S503 WeakPolarHBondContact O-CB 3.45Å; I499-S503 PolarHBondContact O-N 3Å
500	E	75.9	Confident	77	Confident	35 Å²	35	28 Å²	28	16%	0.164	14%	0.143	C	C	.	.	H	α-helix	trans	-62	-49	172.7	-171.4	177.9	-179.5	0	0	110.3	L496 Y497 L502 S503 E504	L496-E500 PolarHBondContact O-N 2.87Å; Y497-E500 WeakPolarHBondContact O-CB 3.29Å; Y497-E500 PolarHBondContact O-N 3.14Å; Y497-E500 VanDerWaalsContact O-N 3.16Å; E500-L502 PolarHBondContact O-N 3.16Å; E500-S503 WeakPolarHBondContact O-CB 3.4Å; E500-S503 PolarHBondContact O-N 3.28Å; E500-S503 VanDerWaalsContact O-N 3.07Å; E500-S503 PolarHBondContact O-OG 3.45Å; E500-E504 PolarHBondContact O-N 2.92Å
501	E	79.9	Confident	76.4	Confident	3 Å²	3	28.3 Å²	28.3	1%	0.014	14%	0.14	C	C	.	.	H	α-helix	trans	-57.9	-48.6	176.5	-174.2	176.5	-160.3	0	0	111.7	Y497 L498 S503 E504 I505 Y583 L685 S686	Y497-E501 WeakPolarHBondContact O-CB 3.45Å; Y497-E501 PolarHBondContact O-N 2.69Å; L498-E501 PolarHBondContact O-N 3.09Å; E501-S503 VanDerWaalsContact C-N 3.28Å; E501-S503 PolarHBondContact O-N 2.77Å; E501-E504 PolarHBondContact O-N 3.02Å; E501-I505 HydrophobicContact CG-CD1 3.94Å; E501-I505 VanDerWaalsContact O-CG1 3.28Å; E501-I505 WeakPolarHBondContact O-CG1 3.44Å; E501-I505 PolarHBondContact O-N 2.84Å; E501-Y583 PolarHBondContact OE2-OH 3.21Å; E501-L685 WeakPolarHBondContact OE1-CB 3.4Å; E501-L685 PolarHBondContact OE1-N 2.78Å; E501-S686 VanDerWaalsContact OE1-CB 3.28Å; E501-S686 WeakPolarHBondContact OE1-CB 3.41Å; E501-S686 PolarHBondContact OE1-N 3.15Å; E501-S686 PolarHBondContact OE1-OG 3.5Å
502	L	80.8	Confident	75.9	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.6	-34.3	174.8	-73	179	0	0	0	112.5	L394 L498 E500 E504 I505 E506 W531 F561 L685	L394-L502 HydrophobicContact CD1-CD1 3.45Å; L394-L502 VanDerWaalsContact CD1-CD1 3.45Å; L498-L502 HydrophobicContact CD2-CD1 3.53Å; L498-L502 HydrophobicContact CD2-CG 4.08Å; L498-L502 HydrophobicContact CG-CD1 4.39Å; L498-L502 HydrophobicContact CG-CG 4.45Å; L498-L502 WeakPolarHBondContact O-CB 3.32Å; L498-L502 VanDerWaalsContact O-CG 3.25Å; L498-L502 WeakPolarHBondContact O-CG 3.4Å; L498-L502 PolarHBondContact O-N 3.33Å; E500-L502 PolarHBondContact O-N 3.16Å; L502-E504 VanDerWaalsContact C-N 3.31Å; L502-E504 PolarHBondContact O-N 2.96Å; L502-I505 HydrophobicContact CD2-CD1 4.34Å; L502-I505 PolarHBondContact O-N 2.81Å; L502-E506 WeakPolarHBondContact O-CB 3.41Å; L502-E506 WeakPolarHBondContact O-CG 3.17Å; L502-E506 PolarHBondContact O-N 3.41Å; L502-W531 HydrophobicContact CD2-CH2 4.3Å; L502-W531 HydrophobicContact CD2-CZ2 3.4Å; L502-W531 VanDerWaalsContact CD2-CZ2 3.4Å; L502-F561 HydrophobicContact CD1-CZ 4.16Å; L502-L685 HydrophobicContact CD2-CD2 3.99Å
503	S	78.4	Confident	75.5	Confident	13 Å²	13	28.5 Å²	28.5	9%	0.091	14%	0.143	C	C	.	.	H	α-helix	trans	-68.9	-30.1	176.9	84.5	0	0	0	0	113.1	I499 E500 E501 R507	I499-S503 VanDerWaalsContact O-CB 3.31Å; I499-S503 WeakPolarHBondContact O-CB 3.45Å; I499-S503 PolarHBondContact O-N 3Å; E500-S503 WeakPolarHBondContact O-CB 3.4Å; E500-S503 PolarHBondContact O-N 3.28Å; E500-S503 VanDerWaalsContact O-N 3.07Å; E500-S503 PolarHBondContact O-OG 3.45Å; E501-S503 VanDerWaalsContact C-N 3.28Å; E501-S503 PolarHBondContact O-N 2.77Å; S503-R507 WeakPolarHBondContact O-CG 3.48Å; S503-R507 PolarHBondContact O-N 2.91Å
504	E	77.9	Confident	75	Confident	34 Å²	34	31.7 Å²	31.7	16%	0.159	17%	0.165	C	C	.	.	H	α-helix	trans	-79.2	-38.2	172.8	-69.2	-62.6	139	0	0	111	E500 E501 L502 E506 R507 C508 N509 M511	E500-E504 PolarHBondContact O-N 2.92Å; E501-E504 PolarHBondContact O-N 3.02Å; L502-E504 VanDerWaalsContact C-N 3.31Å; L502-E504 PolarHBondContact O-N 2.96Å; E504-E506 VanDerWaalsContact C-N 3.31Å; E504-E506 PolarHBondContact O-N 3.47Å; E504-R507 CarbonylContact O-C 3.55Å; E504-R507 WeakPolarHBondContact O-CA 3.3Å; E504-R507 WeakPolarHBondContact O-CB 3.26Å; E504-R507 PolarHBondContact O-N 3.03Å; E504-R507 IonicContact OE1-CZ 3.45Å; E504-R507 IonicContact OE1-NH1 2.73Å; E504-R507 PolarHBondContact OE1-NH1 2.83Å; E504-R507 IonicContact OE1-NH2 3.58Å; E504-C508 PolarHBondContact O-N 2.68Å; E504-N509 CarbonylContact C-O 3.57Å; E504-N509 PolarHBondContact O-N 2.93Å; E504-N509 VanDerWaalsContact O-O 3.13Å; E504-N509 PolarHBondContact OE2-ND2 3.18Å; E504-N509 VanDerWaalsContact OE2-ND2 3.11Å; E504-M511 HydrophobicContact CB-CG 3.96Å; E504-M511 HydrophobicContact CB-SD 4.37Å; E504-M511 HydrophobicContact CG-CG 3.91Å; E504-M511 HydrophobicContact CG-SD 3.77Å
505	I	80.7	Confident	74.5	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-61.8	-39.6	173.4	-67.8	164.1	0	0	0	111.1	E501 L502 R507 C508 N509 L510 I528 W531 L685 L689	E501-I505 HydrophobicContact CG-CD1 3.94Å; E501-I505 VanDerWaalsContact O-CG1 3.28Å; E501-I505 WeakPolarHBondContact O-CG1 3.44Å; E501-I505 PolarHBondContact O-N 2.84Å; L502-I505 HydrophobicContact CD2-CD1 4.34Å; L502-I505 PolarHBondContact O-N 2.81Å; I505-R507 PolarHBondContact O-N 2.79Å; I505-C508 WeakPolarHBondContact O-CA 3.2Å; I505-C508 PolarHBondContact O-N 2.83Å; I505-N509 PolarHBondContact N-O 2.9Å; I505-L510 HydrophobicContact CG1-CD2 4.18Å; I505-I528 HydrophobicContact CG2-CD1 4.24Å; I505-W531 HydrophobicContact CG2-CB 4.44Å; I505-W531 HydrophobicContact CG2-CD2 3.68Å; I505-W531 HydrophobicContact CG2-CE3 3.53Å; I505-W531 HydrophobicContact CG2-CG 4.09Å; I505-W531 HydrophobicContact CG2-CZ3 3.99Å; I505-L685 HydrophobicContact CD1-CD2 3.69Å; I505-L685 HydrophobicContact CD1-CG 4.07Å; I505-L689 HydrophobicContact CD1-CD1 3.93Å; I505-L689 HydrophobicContact CG1-CD1 4.42Å; I505-L689 HydrophobicContact CG2-CD1 4.46Å
506	E	79	Confident	74.4	Confident	58 Å²	58	36.6 Å²	36.6	27%	0.271	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-25.2	172.8	-79.9	-175.8	-167.1	0	0	113	S388 K389 T390 L502 E504	S388-E506 WeakPolarHBondContact CA-OE2 3.19Å; S388-E506 WeakPolarHBondContact CB-OE2 3.38Å; K389-E506 PolarHBondContact N-OE1 3.15Å; K389-E506 PolarHBondContact N-OE2 2.8Å; T390-E506 WeakPolarHBondContact CB-OE1 3.28Å; T390-E506 VanDerWaalsContact CG2-OE1 3.26Å; T390-E506 WeakPolarHBondContact CG2-OE1 3.31Å; T390-E506 PolarHBondContact N-OE1 2.75Å; T390-E506 PolarHBondContact OG1-OE1 2.93Å; L502-E506 WeakPolarHBondContact O-CB 3.41Å; L502-E506 WeakPolarHBondContact O-CG 3.17Å; L502-E506 PolarHBondContact O-N 3.41Å; E504-E506 VanDerWaalsContact C-N 3.31Å; E504-E506 PolarHBondContact O-N 3.47Å
507	R	76.1	Confident	74.2	Confident	112 Å²	112	41.4 Å²	41.4	42%	0.423	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	9.3	170.4	-65	179.3	-158.8	148.1	25	112.8	R387 S503 E504 I505 N509	R387-R507 VanDerWaalsContact NH1-NH2 3.15Å; S503-R507 WeakPolarHBondContact O-CG 3.48Å; S503-R507 PolarHBondContact O-N 2.91Å; E504-R507 CarbonylContact O-C 3.55Å; E504-R507 WeakPolarHBondContact O-CA 3.3Å; E504-R507 WeakPolarHBondContact O-CB 3.26Å; E504-R507 PolarHBondContact O-N 3.03Å; E504-R507 IonicContact OE1-CZ 3.45Å; E504-R507 IonicContact OE1-NH1 2.73Å; E504-R507 PolarHBondContact OE1-NH1 2.83Å; E504-R507 IonicContact OE1-NH2 3.58Å; I505-R507 PolarHBondContact O-N 2.79Å; R507-N509 PolarHBondContact O-N 2.81Å
508	C	70.7	Confident	74.1	Confident	62 Å²	62	47.1 Å²	47.1	42%	0.419	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	25.8	-176.3	-53.4	0	0	0	0	113.9	E504 I505 I528	E504-C508 PolarHBondContact O-N 2.68Å; I505-C508 WeakPolarHBondContact O-CA 3.2Å; I505-C508 PolarHBondContact O-N 2.83Å; C508-I528 WeakPolarHBondContact CB-O 3.41Å; C508-I528 PolarHBondContact SG-O 2.69Å
509	N	74.4	Confident	73.6	Confident	84 Å²	84	49 Å²	49	45%	0.449	25%	0.247	S	C	.	.			trans	-111.2	124.6	179.4	-172.3	23.8	0	0	0	110.7	E504 I505 R507	E504-N509 CarbonylContact C-O 3.57Å; E504-N509 PolarHBondContact O-N 2.93Å; E504-N509 VanDerWaalsContact O-O 3.13Å; E504-N509 PolarHBondContact OE2-ND2 3.18Å; E504-N509 VanDerWaalsContact OE2-ND2 3.11Å; I505-N509 PolarHBondContact N-O 2.9Å; R507-N509 PolarHBondContact O-N 2.81Å
510	L	70.3	Confident	73.3	Confident	41 Å²	41	49.1 Å²	49.1	22%	0.215	25%	0.248	C	C	.	.			trans	-95.7	112.2	177.2	-66.9	176.1	0	0	0	109.6	I505 L512 I528 L689 A690	I505-L510 HydrophobicContact CG1-CD2 4.18Å; L510-L512 PolarHBondContact O-N 2.8Å; L510-L512 VanDerWaalsContact O-N 3.15Å; L510-I528 HydrophobicContact CD1-CD1 4.4Å; L510-I528 HydrophobicContact CD2-CD1 3.74Å; L510-I528 HydrophobicContact CG-CD1 4.19Å; L510-L689 HydrophobicContact CD1-CB 4.49Å; L510-L689 HydrophobicContact CD2-CB 4Å; L510-L689 HydrophobicContact CD2-CD1 4.22Å; L510-A690 HydrophobicContact CD1-CB 4.01Å
511	M	64.4	Low	73.2	Confident	49 Å²	49	48.6 Å²	48.6	24%	0.241	25%	0.248	C	C	.	.			trans	-73.9	104.5	177.2	-64.9	-161.5	82	0	0	111	E504 N683 S686	E504-M511 HydrophobicContact CB-CG 3.96Å; E504-M511 HydrophobicContact CB-SD 4.37Å; E504-M511 HydrophobicContact CG-CG 3.91Å; E504-M511 HydrophobicContact CG-SD 3.77Å; M511-N683 PolarHBondContact O-ND2 3.47Å; M511-S686 PolarHBondContact O-OG 2.85Å
512	L	66.8	Low	72.5	Confident	27 Å²	27	54 Å²	54	14%	0.141	29%	0.286	C	S	.	.			trans	-120.1	136.6	174.2	-62	167.7	0	0	0	109.5	L510 Q516 Q517 C687 A690	L510-L512 PolarHBondContact O-N 2.8Å; L510-L512 VanDerWaalsContact O-N 3.15Å; L512-Q516 HydrophobicContact CB-CB 4.28Å; L512-Q516 HydrophobicContact CD2-CB 4.23Å; L512-Q517 HydrophobicContact CB-CG 3.62Å; L512-Q517 HydrophobicContact CD1-CG 4.28Å; L512-Q517 PolarHBondContact O-NE2 2.83Å; L512-C687 HydrophobicContact CD2-CB 4.38Å; L512-A690 HydrophobicContact CD1-CB 3.85Å; L512-A690 HydrophobicContact CD2-CB 4.21Å
513	S	68	Low	71.8	Confident	8 Å²	8	59.5 Å²	59.5	6%	0.056	32%	0.316	C	S	.	.			trans	-65.3	158.5	167.5	65.7	0	0	0	0	110.6	E515 Q516 Q517 W680	S513-E515 PolarHBondContact O-N 3.29Å; S513-Q516 PolarHBondContact O-N 3.37Å; S513-Q516 WeakPolarHBondContact OG-CB 3.29Å; S513-Q516 WeakPolarHBondContact OG-CG 3.14Å; S513-Q516 PolarHBondContact OG-N 3.08Å; S513-Q516 VanDerWaalsContact OG-N 3.09Å; S513-Q516 PolarHBondContact OG-OE1 3Å; S513-Q517 WeakPolarHBondContact O-CG 3.34Å; S513-Q517 PolarHBondContact O-N 3.15Å; S513-W680 VanDerWaalsContact CA-CZ3 3.42Å; S513-W680 VanDerWaalsContact N-CZ3 3.28Å
514	P	65.8	Low	71.3	Confident	90 Å²	90	61 Å²	61	58%	0.584	32%	0.324	S	S	*	.	H	α-helix	trans	-57.5	-31.5	175.3	22.9	-34.5	0	0	0	113.2	Q518	P514-Q518 PolarHBondContact O-N 3.43Å
515	E	66.6	Low	70.8	Confident	106 Å²	106	64.3 Å²	64.3	50%	0.495	34%	0.339	S	S	.	.	H	α-helix	trans	-70.8	-40.4	175	-63.5	-177.3	-179.7	0	0	112	S513 Q518	S513-E515 PolarHBondContact O-N 3.29Å; E515-Q518 PolarHBondContact O-N 3.38Å
516	Q	75.4	Confident	70.3	Confident	4 Å²	4	64.8 Å²	64.8	2%	0.019	34%	0.342	C	S	.	.	H	α-helix	trans	-69.6	-34.2	176	-72.1	159.6	-25.6	0	0	111.8	L512 S513 Q518 L519 W680 C687	L512-Q516 HydrophobicContact CB-CB 4.28Å; L512-Q516 HydrophobicContact CD2-CB 4.23Å; S513-Q516 PolarHBondContact O-N 3.37Å; S513-Q516 WeakPolarHBondContact OG-CB 3.29Å; S513-Q516 WeakPolarHBondContact OG-CG 3.14Å; S513-Q516 PolarHBondContact OG-N 3.08Å; S513-Q516 VanDerWaalsContact OG-N 3.09Å; S513-Q516 PolarHBondContact OG-OE1 3Å; Q516-Q518 VanDerWaalsContact C-N 3.28Å; Q516-Q518 PolarHBondContact O-N 3.03Å; Q516-L519 WeakPolarHBondContact O-CB 3.39Å; Q516-L519 PolarHBondContact O-N 2.81Å; Q516-L519 VanDerWaalsContact O-N 3.14Å; Q516-W680 PolarHBondContact NE2-O 2.85Å; Q516-W680 VanDerWaalsContact NE2-O 3.15Å; Q516-C687 VanDerWaalsContact CD-SG 3.53Å
517	Q	72.8	Confident	70.1	Confident	112 Å²	112	66.6 Å²	66.6	52%	0.523	35%	0.35	S	S	.	.	H	α-helix	trans	-62.7	-34.2	175.7	-74.4	176.9	-1.2	0	0	112.2	L512 S513 L519 V520	L512-Q517 HydrophobicContact CB-CG 3.62Å; L512-Q517 HydrophobicContact CD1-CG 4.28Å; L512-Q517 PolarHBondContact O-NE2 2.83Å; S513-Q517 WeakPolarHBondContact O-CG 3.34Å; S513-Q517 PolarHBondContact O-N 3.15Å; Q517-L519 PolarHBondContact O-N 2.85Å; Q517-V520 PolarHBondContact O-N 3.43Å; Q517-V520 VanDerWaalsContact O-N 3.15Å
518	Q	73.1	Confident	70.2	Confident	136 Å²	136	61.5 Å²	61.5	64%	0.636	33%	0.331	S	S	*	.	H	α-helix	trans	-62.5	-29.7	175.9	-69.9	176.4	6.1	0	0	112.4	P514 E515 Q516 V520 P734	P514-Q518 PolarHBondContact O-N 3.43Å; E515-Q518 PolarHBondContact O-N 3.38Å; Q516-Q518 VanDerWaalsContact C-N 3.28Å; Q516-Q518 PolarHBondContact O-N 3.03Å; Q518-V520 PolarHBondContact O-N 3.45Å; Q518-P734 WeakPolarHBondContact O-CB 3.39Å
519	L	71.8	Confident	70.6	Confident	39 Å²	39	60.8 Å²	60.8	20%	0.204	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-0.4	-180	-65.7	167.8	0	0	0	113.4	Q516 Q517 F633 Y732 P734	Q516-L519 WeakPolarHBondContact O-CB 3.39Å; Q516-L519 PolarHBondContact O-N 2.81Å; Q516-L519 VanDerWaalsContact O-N 3.14Å; Q517-L519 PolarHBondContact O-N 2.85Å; L519-F633 HydrophobicContact CB-CD1 4.11Å; L519-F633 HydrophobicContact CB-CE1 3.89Å; L519-F633 HydrophobicContact CD1-CD1 3.76Å; L519-F633 HydrophobicContact CD1-CE1 4.39Å; L519-Y732 WeakPolarHBondContact O-CD1 3.27Å; L519-P734 HydrophobicContact CD2-CG 4.13Å
520	V	71.5	Confident	70.8	Confident	18 Å²	18	63.5 Å²	63.5	11%	0.109	33%	0.327	C	S	.	.	S	Bend	trans	-119.5	137.1	177.5	-176.2	0	0	0	0	108.4	Q517 Q518 V524 F633 A690 A694	Q517-V520 PolarHBondContact O-N 3.43Å; Q517-V520 VanDerWaalsContact O-N 3.15Å; Q518-V520 PolarHBondContact O-N 3.45Å; V520-V524 HydrophobicContact CG1-CG2 4.23Å; V520-F633 HydrophobicContact CG2-CE1 4.25Å; V520-A690 HydrophobicContact CG2-CB 4.16Å; V520-A694 HydrophobicContact CG1-CB 4.22Å
521	P	71.9	Confident	71.4	Confident	23 Å²	23	62.8 Å²	62.8	15%	0.149	32%	0.321	C	S	.	.			trans	-57.6	142.7	175.3	-12.7	20.2	0	0	0	111.5	D523 V524 A694 Y732 F739	P521-D523 VanDerWaalsContact C-N 3.25Å; P521-D523 PolarHBondContact O-N 3.13Å; P521-V524 HydrophobicContact CB-CG2 4.42Å; P521-V524 WeakPolarHBondContact O-CG2 3.23Å; P521-A694 HydrophobicContact CG-CB 4.13Å; P521-Y732 HydrophobicContact CB-CD2 4.36Å; P521-Y732 HydrophobicContact CB-CE2 3.92Å; P521-Y732 HydrophobicContact CG-CD2 3.68Å; P521-Y732 HydrophobicContact CG-CE2 3.76Å; P521-Y732 HydrophobicContact CG-CG 4.07Å; P521-F739 HydrophobicContact CG-CE1 4.44Å; P521-F739 HydrophobicContact CG-CE2 3.79Å; P521-F739 HydrophobicContact CG-CZ 3.47Å; P521-F739 VanDerWaalsContact CG-CZ 3.47Å
522	S	66.5	Low	72.3	Confident	118 Å²	118	63.4 Å²	63.4	83%	0.825	32%	0.323	S	S	*	.	S	Bend	trans	-69.8	-21.7	177.5	-51.5	0	0	0	0	113.6	V524	S522-V524 PolarHBondContact O-N 2.82Å
523	D	66.5	Low	73	Confident	115 Å²	115	65.5 Å²	65.5	62%	0.615	33%	0.334	S	S	*	.			trans	-100.6	41.6	-171	-62.1	-13.4	0	0	0	113.4	P521 E525 R701	P521-D523 VanDerWaalsContact C-N 3.25Å; P521-D523 PolarHBondContact O-N 3.13Å; D523-E525 PolarHBondContact O-N 2.86Å; D523-R701 PolarHBondContact O-NH2 3.47Å
524	V	66.3	Low	73.6	Confident	44 Å²	44	66 Å²	66	27%	0.267	34%	0.338	S	S	.	.			trans	-81.5	112.6	178	-178.2	0	0	0	0	109.9	V520 P521 S522 L526 A693 A694	V520-V524 HydrophobicContact CG1-CG2 4.23Å; P521-V524 HydrophobicContact CB-CG2 4.42Å; P521-V524 WeakPolarHBondContact O-CG2 3.23Å; S522-V524 PolarHBondContact O-N 2.82Å; V524-L526 HydrophobicContact CG1-CB 4.34Å; V524-A693 HydrophobicContact CG1-CB 4.09Å; V524-A694 HydrophobicContact CG2-CB 3.99Å
525	E	67.2	Low	74.3	Confident	103 Å²	103	67 Å²	67	48%	0.481	34%	0.338	S	S	.	.			trans	-82.8	-14.4	179.3	-66.7	-179.4	170.9	0	0	113.2	D523 R567 R701	D523-E525 PolarHBondContact O-N 2.86Å; E525-R567 IonicContact OE2-CZ 2.68Å; E525-R567 IonicContact OE2-NE 2.87Å; E525-R567 IonicContact OE2-NH1 3.92Å; E525-R567 PolarHBondContact OE2-NH1 2.67Å; E525-R567 IonicContact OE2-NH2 2.59Å; E525-R567 PolarHBondContact OE2-NH2 2.79Å; E525-R701 IonicContact OE1-NH2 2.68Å
526	L	71.1	Confident	75	Confident	11 Å²	11	64.6 Å²	64.6	6%	0.058	33%	0.326	C	S	.	.			trans	-87.3	126.1	-179.3	-70.5	171.2	0	0	0	111.4	V524 R567 F598 I696 D697	V524-L526 HydrophobicContact CG1-CB 4.34Å; L526-R567 HydrophobicContact CD2-CG 3.69Å; L526-F598 HydrophobicContact CD2-CZ 4.11Å; L526-I696 HydrophobicContact CD1-CB 3.69Å; L526-I696 HydrophobicContact CD1-CG2 3.43Å; L526-I696 VanDerWaalsContact CD1-CG2 3.43Å; L526-D697 HydrophobicContact CD1-CB 3.84Å; L526-D697 HydrophobicContact CG-CB 4.26Å
527	H	74.7	Confident	75.2	Confident	96 Å²	96	72 Å²	72	44%	0.444	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	161.7	175.3	62.1	-82.4	0	0	0	111.2	I529 F565 G566 R567	H527-I529 PolarHBondContact O-N 3.22Å; H527-F565 WeakPolarHBondContact O-CA 3.45Å; H527-G566 PolarHBondContact CE1-O 3.32Å; H527-G566 PolarHBondContact N-O 3.46Å; H527-G566 PolarHBondContact ND1-O 2.89Å; H527-G566 PolarHBondContact O-N 2.99Å; H527-R567 PolarHBondContact CE1-O 3.16Å
528	I	79.1	Confident	75.6	Confident	5 Å²	5	69.3 Å²	69.3	3%	0.026	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	120.9	174.9	-62.1	174.3	0	0	0	107.7	I505 C508 L510 F565 L689	I505-I528 HydrophobicContact CG2-CD1 4.24Å; C508-I528 WeakPolarHBondContact CB-O 3.41Å; C508-I528 PolarHBondContact SG-O 2.69Å; L510-I528 HydrophobicContact CD1-CD1 4.4Å; L510-I528 HydrophobicContact CD2-CD1 3.74Å; L510-I528 HydrophobicContact CG-CD1 4.19Å; I528-F565 HydrophobicContact CD1-CE1 4.05Å; I528-F565 HydrophobicContact CD1-CZ 4.37Å; I528-F565 HydrophobicContact CG1-CD1 3.78Å; I528-F565 HydrophobicContact CG1-CE1 3.37Å; I528-F565 HydrophobicContact CG1-CZ 4.05Å; I528-L689 HydrophobicContact CD1-CD1 4.36Å
529	I	77.9	Confident	76	Confident	48 Å²	48	62.8 Å²	62.8	25%	0.246	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-41.4	176.6	-62.5	175.1	0	0	0	109.7	H527 H564 G566 D568 F572	H527-I529 PolarHBondContact O-N 3.22Å; I529-H564 PolarHBondContact N-O 3.46Å; I529-G566 VanDerWaalsContact CD1-CA 3.43Å; I529-D568 VanDerWaalsContact CD1-O 3.3Å; I529-D568 WeakPolarHBondContact CD1-O 3.38Å; I529-F572 HydrophobicContact CD1-CB 4.28Å
530	R	79.3	Confident	76.5	Confident	141 Å²	141	65.9 Å²	65.9	53%	0.532	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	133.4	-170.9	-173.1	172.8	-166.7	-172.8	-1.1	112.3	K532 H564	R530-K532 HydrophobicContact CG-CG 4.21Å; R530-H564 HydrophobicContact CB-CB 4.23Å; R530-H564 PolarHBondContact N-O 3.18Å; R530-H564 PolarHBondContact O-N 2.99Å
531	W	83	Confident	76.9	Confident	25 Å²	25	69.2 Å²	69.2	10%	0.095	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.5	173.8	-177	-96.7	0	0	0	109.7	T390 L502 I505 F561 C563 V577 L685 L689	T390-W531 PolarHBondContact OG1-NE1 3.21Å; L502-W531 HydrophobicContact CD2-CH2 4.3Å; L502-W531 HydrophobicContact CD2-CZ2 3.4Å; L502-W531 VanDerWaalsContact CD2-CZ2 3.4Å; I505-W531 HydrophobicContact CG2-CB 4.44Å; I505-W531 HydrophobicContact CG2-CD2 3.68Å; I505-W531 HydrophobicContact CG2-CE3 3.53Å; I505-W531 HydrophobicContact CG2-CG 4.09Å; I505-W531 HydrophobicContact CG2-CZ3 3.99Å; W531-F561 HydrophobicContact CD2-CB 4.49Å; W531-F561 AromaticContact CE2-CD1 3.93Å; W531-F561 AromaticContact CE2-CG 3.81Å; W531-F561 HydrophobicContact CH2-CB 3.72Å; W531-F561 HydrophobicContact CH2-CD2 4.4Å; W531-F561 HydrophobicContact CH2-CG 4.15Å; W531-F561 HydrophobicContact CZ2-CB 3.3Å; W531-F561 AromaticContact CZ2-CD1 3.89Å; W531-F561 HydrophobicContact CZ2-CD1 3.89Å; W531-F561 AromaticContact CZ2-CD2 3.72Å; W531-F561 HydrophobicContact CZ2-CD2 3.72Å; W531-F561 AromaticContact CZ2-CG 3.33Å; W531-F561 HydrophobicContact CZ2-CG 3.33Å; W531-F561 HydrophobicContact CZ3-CB 4.46Å; W531-F561 AromaticContact NE1-CD1 3.65Å; W531-C563 HydrophobicContact CE3-CB 3.67Å; W531-C563 HydrophobicContact CZ3-CB 3.68Å; W531-V577 HydrophobicContact CH2-CB 4.13Å; W531-V577 HydrophobicContact CH2-CG1 4.3Å; W531-V577 HydrophobicContact CH2-CG2 3.98Å; W531-V577 HydrophobicContact CZ3-CG2 4.03Å; W531-L685 HydrophobicContact CH2-CD2 4.24Å; W531-L689 HydrophobicContact CH2-CD1 4.47Å; W531-L689 HydrophobicContact CZ3-CD1 3.97Å
532	K	82.8	Confident	77.3	Confident	63 Å²	63	68.3 Å²	68.3	27%	0.274	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.5	179.1	-65.4	177.7	-174.5	163.1	0	111.4	R530 F561 Q562	R530-K532 HydrophobicContact CG-CG 4.21Å; K532-F561 CarbonylContact O-C 3.38Å; K532-F561 VanDerWaalsContact O-CA 3.3Å; K532-F561 WeakPolarHBondContact O-CA 3.18Å; K532-Q562 HydrophobicContact CB-CB 4.4Å; K532-Q562 PolarHBondContact N-O 2.91Å; K532-Q562 PolarHBondContact O-N 2.87Å
533	N	82.4	Confident	77.8	Confident	71 Å²	71	67.2 Å²	67.2	38%	0.38	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	144.7	162.7	-166.4	-16.8	0	0	0	109.5	T390 S393 I560 F561	T390-N533 HydrophobicContact CG2-CB 4.09Å; S393-N533 PolarHBondContact OG-ND2 2.78Å; N533-I560 PolarHBondContact OD1-O 3.43Å; N533-F561 HydrophobicContact CB-CD1 4.27Å; N533-F561 HydrophobicContact CB-CE1 4.26Å
534	S	80.7	Confident	78.2	Confident	19 Å²	19	64.4 Å²	64.4	13%	0.133	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	156.5	178.4	-67	0	0	0	0	111.1	I560	S534-I560 PolarHBondContact N-O 2.94Å; S534-I560 WeakPolarHBondContact O-CB 3.48Å
535	D	80.7	Confident	78.8	Confident	111 Å²	111	62.3 Å²	62.3	59%	0.594	31%	0.311	S	S	*	.			trans	-93.3	159	-174.3	-57.5	-38.1	0	0	0	112.5	Q537 T538 L539	D535-Q537 PolarHBondContact O-N 3.23Å; D535-T538 PolarHBondContact N-OG1 2.96Å; D535-T538 PolarHBondContact O-N 3.07Å; D535-T538 VanDerWaalsContact O-N 3.09Å; D535-T538 PolarHBondContact O-OG1 3.28Å; D535-L539 PolarHBondContact O-N 3.14Å
536	F	80.7	Confident	79.4	Confident	54 Å²	54	62.1 Å²	62.1	24%	0.237	31%	0.311	C	S	.	.	H	α-helix	trans	-57.7	-33.2	175.9	-174.3	-93.9	0	0	0	113.2	T538 L539 Q540 I549 I554 I560	F536-T538 PolarHBondContact O-N 3.36Å; F536-L539 PolarHBondContact O-N 2.82Å; F536-Q540 PolarHBondContact O-N 3.46Å; F536-I549 HydrophobicContact CE2-CG1 4.35Å; F536-I549 HydrophobicContact CZ-CD1 4.32Å; F536-I549 HydrophobicContact CZ-CG1 4.25Å; F536-I549 HydrophobicContact CZ-CG2 3.92Å; F536-I554 HydrophobicContact CE2-CG2 4.09Å; F536-I560 VanDerWaalsContact CA-CD1 3.46Å; F536-I560 HydrophobicContact CB-CD1 3.91Å; F536-I560 HydrophobicContact CD2-CD1 3.84Å; F536-I560 HydrophobicContact CG-CD1 4.32Å
537	Q	80.2	Confident	79.8	Confident	159 Å²	159	66 Å²	66	74%	0.743	33%	0.334	S	S	*	.	H	α-helix	trans	-66.3	-35.6	177.6	-66	-177	1.2	0	0	112.6	D535 Q540	D535-Q537 PolarHBondContact O-N 3.23Å; Q537-Q540 PolarHBondContact O-N 2.95Å
538	T	81.1	Confident	80.1	Confident	56 Å²	56	63 Å²	63	34%	0.344	32%	0.321	S	S	.	.	H	α-helix	trans	-73.5	-37.3	178.1	62.4	0	0	0	0	110.6	D535 F536 Q540 S541	D535-T538 PolarHBondContact N-OG1 2.96Å; D535-T538 PolarHBondContact O-N 3.07Å; D535-T538 VanDerWaalsContact O-N 3.09Å; D535-T538 PolarHBondContact O-OG1 3.28Å; F536-T538 PolarHBondContact O-N 3.36Å; T538-Q540 VanDerWaalsContact C-N 3.3Å; T538-Q540 PolarHBondContact O-N 2.92Å; T538-S541 WeakPolarHBondContact O-CB 3.48Å; T538-S541 PolarHBondContact O-N 3.38Å; T538-S541 PolarHBondContact O-OG 2.82Å
539	L	81	Confident	80.1	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62.7	-36.8	174.3	-173.6	66.9	0	0	0	112.4	D535 F536 S541 V542 A545 I554 I560 W576 C578 I591	D535-L539 PolarHBondContact O-N 3.14Å; F536-L539 PolarHBondContact O-N 2.82Å; L539-S541 PolarHBondContact O-N 3.37Å; L539-V542 WeakPolarHBondContact O-CB 3.48Å; L539-V542 PolarHBondContact O-N 2.84Å; L539-A545 HydrophobicContact CD1-CB 3.75Å; L539-A545 HydrophobicContact CG-CB 3.79Å; L539-A545 WeakPolarHBondContact O-CB 3.17Å; L539-I554 HydrophobicContact CD2-CD1 4.2Å; L539-I554 HydrophobicContact CD2-CG2 3.91Å; L539-I560 HydrophobicContact CB-CD1 4.09Å; L539-I560 HydrophobicContact CB-CG2 4.36Å; L539-I560 HydrophobicContact CD2-CD1 3.59Å; L539-I560 HydrophobicContact CD2-CG1 4.04Å; L539-I560 HydrophobicContact CD2-CG2 4.25Å; L539-I560 HydrophobicContact CG-CD1 4.49Å; L539-W576 HydrophobicContact CD1-CB 3.9Å; L539-W576 HydrophobicContact CD1-CD2 3.82Å; L539-W576 HydrophobicContact CD1-CE3 3.78Å; L539-W576 HydrophobicContact CD1-CG 3.89Å; L539-W576 HydrophobicContact CD1-CZ3 4.5Å; L539-C578 VanDerWaalsContact CD2-SG 3.56Å; L539-I591 HydrophobicContact CD1-CD1 4.34Å
540	Q	81.9	Confident	80	Confident	103 Å²	103	65.6 Å²	65.6	48%	0.481	35%	0.346	S	S	.	.	H	α-helix	trans	-62.1	-25.1	177.8	-168.3	176.6	4.6	0	0	113.2	F536 Q537 T538 V542 Q546 I549	F536-Q540 PolarHBondContact O-N 3.46Å; Q537-Q540 PolarHBondContact O-N 2.95Å; T538-Q540 VanDerWaalsContact C-N 3.3Å; T538-Q540 PolarHBondContact O-N 2.92Å; Q540-V542 PolarHBondContact O-N 3.2Å; Q540-Q546 WeakPolarHBondContact O-CG 3.36Å; Q540-Q546 PolarHBondContact O-NE2 3.3Å; Q540-I549 HydrophobicContact CB-CD1 4.34Å
541	S	80.6	Confident	80	Confident	88 Å²	88	64.8 Å²	64.8	62%	0.615	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-19.2	174.9	76.4	0	0	0	0	113.3	T538 L539 P543	T538-S541 WeakPolarHBondContact O-CB 3.48Å; T538-S541 PolarHBondContact O-N 3.38Å; T538-S541 PolarHBondContact O-OG 2.82Å; L539-S541 PolarHBondContact O-N 3.37Å; S541-P543 WeakPolarHBondContact O-CD 3.31Å
542	V	79.9	Confident	79.5	Confident	5 Å²	5	69.3 Å²	69.3	3%	0.03	38%	0.378	C	S	.	.	S	Bend	trans	-81.2	117.1	-179.6	-176.3	0	0	0	0	109.4	L539 Q540 R544 A545 Q546 W576	L539-V542 WeakPolarHBondContact O-CB 3.48Å; L539-V542 PolarHBondContact O-N 2.84Å; Q540-V542 PolarHBondContact O-N 3.2Å; V542-R544 VanDerWaalsContact C-N 3.26Å; V542-R544 PolarHBondContact O-N 3.5Å; V542-R544 VanDerWaalsContact O-N 3.16Å; V542-A545 HydrophobicContact CB-CB 4.09Å; V542-A545 HydrophobicContact CG1-CB 4.45Å; V542-A545 PolarHBondContact O-N 2.94Å; V542-A545 VanDerWaalsContact O-N 3.08Å; V542-Q546 PolarHBondContact O-N 2.97Å; V542-W576 HydrophobicContact CG2-CZ2 3.87Å
543	P	76.4	Confident	79.1	Confident	95 Å²	95	69 Å²	69	62%	0.617	38%	0.381	S	S	*	.	H	α-helix	trans	-56.6	-37.9	-173.7	-26.2	33.8	0	0	0	113.7	S541 Q546	S541-P543 WeakPolarHBondContact O-CD 3.31Å; P543-Q546 WeakPolarHBondContact O-CB 3.25Å; P543-Q546 PolarHBondContact O-N 2.83Å
544	R	75.9	Confident	78.7	Confident	56 Å²	56	65.8 Å²	65.8	21%	0.211	36%	0.364	C	S	.	.	H	α-helix	trans	-71.3	-30.8	-178.1	-162.7	166.4	175.4	102.6	8	113	V542 Q546 I591 D616 E623	V542-R544 VanDerWaalsContact C-N 3.26Å; V542-R544 PolarHBondContact O-N 3.5Å; V542-R544 VanDerWaalsContact O-N 3.16Å; R544-Q546 VanDerWaalsContact C-N 3.34Å; R544-I591 HydrophobicContact CB-CG2 4.23Å; R544-I591 HydrophobicContact CG-CG2 4.16Å; R544-D616 PolarHBondContact NH1-O 3.22Å; R544-D616 VanDerWaalsContact NH1-O 3.15Å; R544-E623 WeakPolarHBondContact CD-OE1 3.39Å; R544-E623 IonicContact CZ-OE1 3.39Å; R544-E623 IonicContact CZ-OE2 3.67Å; R544-E623 VanDerWaalsContact CZ-OE2 3.24Å; R544-E623 IonicContact NE-OE1 3.82Å; R544-E623 PolarHBondContact NE-OE1 3.32Å; R544-E623 IonicContact NE-OE2 2.85Å; R544-E623 PolarHBondContact NE-OE2 2.92Å; R544-E623 VanDerWaalsContact NH2-CD 3.34Å; R544-E623 IonicContact NH2-OE1 2.78Å; R544-E623 IonicContact NH2-OE2 3.48Å; R544-E623 PolarHBondContact NH2-OE2 2.9Å
545	A	78.7	Confident	78.3	Confident	0 Å²	0	68 Å²	68	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-73	-26.3	176.1	0	0	0	0	0	112.4	L539 V542 V547 M548 I549 I591	L539-A545 HydrophobicContact CD1-CB 3.75Å; L539-A545 HydrophobicContact CG-CB 3.79Å; L539-A545 WeakPolarHBondContact O-CB 3.17Å; V542-A545 HydrophobicContact CB-CB 4.09Å; V542-A545 HydrophobicContact CG1-CB 4.45Å; V542-A545 PolarHBondContact O-N 2.94Å; V542-A545 VanDerWaalsContact O-N 3.08Å; A545-V547 VanDerWaalsContact C-N 3.29Å; A545-V547 PolarHBondContact O-N 2.89Å; A545-M548 PolarHBondContact O-N 2.89Å; A545-M548 VanDerWaalsContact O-N 3.09Å; A545-I549 HydrophobicContact CB-CD1 4.29Å; A545-I549 VanDerWaalsContact O-CG1 3.25Å; A545-I549 WeakPolarHBondContact O-CG1 3.3Å; A545-I549 PolarHBondContact O-N 3.37Å; A545-I591 HydrophobicContact CB-CD1 3.85Å
546	Q	79.5	Confident	77.7	Confident	99 Å²	99	66.9 Å²	66.9	46%	0.463	37%	0.37	S	S	.	.	H	α-helix	trans	-59.7	-37	-179.2	-66.4	177.6	-2	0	0	113	Q540 V542 P543 R544 I549 A550	Q540-Q546 WeakPolarHBondContact O-CG 3.36Å; Q540-Q546 PolarHBondContact O-NE2 3.3Å; V542-Q546 PolarHBondContact O-N 2.97Å; P543-Q546 WeakPolarHBondContact O-CB 3.25Å; P543-Q546 PolarHBondContact O-N 2.83Å; R544-Q546 VanDerWaalsContact C-N 3.34Å; Q546-I549 PolarHBondContact O-N 3.41Å; Q546-A550 VanDerWaalsContact O-CB 3.29Å; Q546-A550 WeakPolarHBondContact O-CB 3.15Å; Q546-A550 PolarHBondContact O-N 3.3Å
547	V	79.6	Confident	77.2	Confident	92 Å²	92	66.2 Å²	66.2	56%	0.558	37%	0.368	S	S	*	.	H	α-helix	trans	-64.8	-43.1	176.5	-178.5	0	0	0	0	110.7	A545 A550 L551	A545-V547 VanDerWaalsContact C-N 3.29Å; A545-V547 PolarHBondContact O-N 2.89Å; V547-A550 PolarHBondContact O-N 3.43Å; V547-L551 HydrophobicContact CG1-CD1 4.31Å; V547-L551 WeakPolarHBondContact O-CG 3.41Å; V547-L551 PolarHBondContact O-N 3.39Å; V547-L551 VanDerWaalsContact O-N 3.13Å
548	M	79.7	Confident	77	Confident	34 Å²	34	59.2 Å²	59.2	17%	0.167	34%	0.335	C	S	.	.	H	α-helix	trans	-71.8	-33.8	-179.9	-64	-180	171.4	0	0	112.5	A545 V553 I554 L589 I591	A545-M548 PolarHBondContact O-N 2.89Å; A545-M548 VanDerWaalsContact O-N 3.09Å; M548-V553 PolarHBondContact O-N 3.32Å; M548-V553 VanDerWaalsContact O-N 3.13Å; M548-I554 HydrophobicContact CB-CD1 3.51Å; M548-I554 HydrophobicContact CB-CG1 4.02Å; M548-I554 HydrophobicContact SD-CD1 4.31Å; M548-L589 HydrophobicContact CB-CD2 4.4Å; M548-L589 HydrophobicContact CG-CD2 4.43Å; M548-L589 HydrophobicContact SD-CD2 3.51Å; M548-L589 VanDerWaalsContact SD-CD2 3.51Å; M548-L589 HydrophobicContact SD-CG 4.19Å; M548-I591 HydrophobicContact CE-CG1 4.42Å; M548-I591 HydrophobicContact SD-CD1 3.6Å; M548-I591 VanDerWaalsContact SD-CD1 3.6Å; M548-I591 HydrophobicContact SD-CG1 3.6Å
549	I	79.7	Confident	76.9	Confident	28 Å²	28	57.2 Å²	57.2	14%	0.144	32%	0.324	C	S	.	.	H	α-helix	trans	-66.1	-45.6	171.9	-67.3	164.5	0	0	0	110.1	F536 Q540 A545 Q546 L551 N552 I554	F536-I549 HydrophobicContact CE2-CG1 4.35Å; F536-I549 HydrophobicContact CZ-CD1 4.32Å; F536-I549 HydrophobicContact CZ-CG1 4.25Å; F536-I549 HydrophobicContact CZ-CG2 3.92Å; Q540-I549 HydrophobicContact CB-CD1 4.34Å; A545-I549 HydrophobicContact CB-CD1 4.29Å; A545-I549 VanDerWaalsContact O-CG1 3.25Å; A545-I549 WeakPolarHBondContact O-CG1 3.3Å; A545-I549 PolarHBondContact O-N 3.37Å; Q546-I549 PolarHBondContact O-N 3.41Å; I549-L551 PolarHBondContact O-N 3.42Å; I549-N552 PolarHBondContact O-N 2.82Å; I549-I554 HydrophobicContact CG1-CB 4.18Å; I549-I554 HydrophobicContact CG1-CD1 4.29Å; I549-I554 HydrophobicContact CG1-CG2 4.49Å
550	A	75.6	Confident	77	Confident	79 Å²	79	57.4 Å²	57.4	65%	0.653	33%	0.325	S	S	*	.	H	α-helix	trans	-62.9	-29.9	179.1	0	0	0	0	0	113	Q546 V547 N552	Q546-A550 VanDerWaalsContact O-CB 3.29Å; Q546-A550 WeakPolarHBondContact O-CB 3.15Å; Q546-A550 PolarHBondContact O-N 3.3Å; V547-A550 PolarHBondContact O-N 3.43Å; A550-N552 PolarHBondContact O-N 3.31Å
551	L	79	Confident	77.2	Confident	124 Å²	124	52.5 Å²	52.5	65%	0.649	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	4.7	174.5	-67.9	172.2	0	0	0	113.5	V547 I549 V553	V547-L551 HydrophobicContact CG1-CD1 4.31Å; V547-L551 WeakPolarHBondContact O-CG 3.41Å; V547-L551 PolarHBondContact O-N 3.39Å; V547-L551 VanDerWaalsContact O-N 3.13Å; I549-L551 PolarHBondContact O-N 3.42Å; L551-V553 HydrophobicContact CB-CG2 3.85Å; L551-V553 PolarHBondContact O-N 3.05Å; L551-V553 VanDerWaalsContact O-N 3.12Å
552	N	73.1	Confident	77.5	Confident	120 Å²	120	49.8 Å²	49.8	64%	0.642	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	24.7	-175.5	-74.6	-27.2	0	0	0	114.1	I549 A550	I549-N552 PolarHBondContact O-N 2.82Å; A550-N552 PolarHBondContact O-N 3.31Å
553	V	74.9	Confident	77.8	Confident	57 Å²	57	49.6 Å²	49.6	35%	0.345	28%	0.278	S	S	.	.	S	Bend	trans	-75.8	-42	176.1	-178.1	0	0	0	0	109.7	M548 L551 K586 L589	M548-V553 PolarHBondContact O-N 3.32Å; M548-V553 VanDerWaalsContact O-N 3.13Å; L551-V553 HydrophobicContact CB-CG2 3.85Å; L551-V553 PolarHBondContact O-N 3.05Å; L551-V553 VanDerWaalsContact O-N 3.12Å; V553-K586 PolarHBondContact O-NZ 2.91Å; V553-L589 HydrophobicContact CG1-CD2 3.95Å
554	I	73.2	Confident	78.2	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.01	25%	0.251	C	S	.	.	S	Bend	trans	-99.7	123.6	173.3	-52.6	168.2	0	0	0	107.7	F536 L539 M548 I549 D558 C578 L589 I591	F536-I554 HydrophobicContact CE2-CG2 4.09Å; L539-I554 HydrophobicContact CD2-CD1 4.2Å; L539-I554 HydrophobicContact CD2-CG2 3.91Å; M548-I554 HydrophobicContact CB-CD1 3.51Å; M548-I554 HydrophobicContact CB-CG1 4.02Å; M548-I554 HydrophobicContact SD-CD1 4.31Å; I549-I554 HydrophobicContact CG1-CB 4.18Å; I549-I554 HydrophobicContact CG1-CD1 4.29Å; I549-I554 HydrophobicContact CG1-CG2 4.49Å; I554-D558 WeakPolarHBondContact CA-OD2 3.38Å; I554-C578 HydrophobicContact CG2-CB 4.38Å; I554-L589 HydrophobicContact CD1-CD2 3.86Å; I554-L589 HydrophobicContact CG1-CD2 3.57Å; I554-I591 HydrophobicContact CD1-CD1 3.42Å; I554-I591 VanDerWaalsContact CD1-CD1 3.42Å
555	R	72.2	Confident	78.4	Confident	65 Å²	65	43 Å²	43	25%	0.245	24%	0.241	C	C	.	.			trans	-108	160.5	179.9	-62.3	177.7	179.5	-165.2	-8.1	109.9	G415 E557 D558	G415-R555 PolarHBondContact O-NH1 3.06Å; G415-R555 PolarHBondContact O-NH2 3.41Å; R555-E557 HydrophobicContact CB-CB 4.37Å; R555-E557 PolarHBondContact O-N 2.78Å; R555-E557 VanDerWaalsContact O-N 3.14Å; R555-D558 PolarHBondContact N-OD2 2.97Å; R555-D558 WeakPolarHBondContact O-CB 3.31Å; R555-D558 PolarHBondContact O-N 3.45Å
556	S	69.7	Low	78.3	Confident	88 Å²	88	43 Å²	43	62%	0.615	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-17.6	169	52.8	0	0	0	0	112.9	D558	S556-D558 VanDerWaalsContact C-N 3.35Å
557	E	69.9	Low	77.9	Confident	41 Å²	41	41.3 Å²	41.3	19%	0.192	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-6	176.3	-61.4	171.7	-162.2	0	0	113.5	Q399 R555 P581	Q399-E557 VanDerWaalsContact NE2-C 3.32Å; Q399-E557 PolarHBondContact NE2-O 3.15Å; Q399-E557 PolarHBondContact OE1-O 2.83Å; R555-E557 HydrophobicContact CB-CB 4.37Å; R555-E557 PolarHBondContact O-N 2.78Å; R555-E557 VanDerWaalsContact O-N 3.14Å; E557-P581 HydrophobicContact CB-CG 4.49Å
558	D	76.2	Confident	77.3	Confident	11 Å²	11	41.4 Å²	41.4	6%	0.059	23%	0.228	C	C	.	.	S	Bend	trans	-84.7	141.9	-179.2	-61.6	-22.6	0	0	0	110	I554 R555 S556 P580 P581	I554-D558 WeakPolarHBondContact CA-OD2 3.38Å; R555-D558 PolarHBondContact N-OD2 2.97Å; R555-D558 WeakPolarHBondContact O-CB 3.31Å; R555-D558 PolarHBondContact O-N 3.45Å; S556-D558 VanDerWaalsContact C-N 3.35Å; D558-P580 WeakPolarHBondContact OD1-CA 3.38Å; D558-P581 WeakPolarHBondContact OD1-CD 3.28Å
559	S	78	Confident	76.7	Confident	14 Å²	14	47.4 Å²	47.4	10%	0.098	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	122.6	176.1	-53.4	0	0	0	0	109.7	L394 Q399 I579	L394-S559 VanDerWaalsContact CD2-CB 3.48Å; L394-S559 WeakPolarHBondContact CD2-OG 3.33Å; Q399-S559 PolarHBondContact OE1-OG 2.81Å; S559-I579 PolarHBondContact N-O 3.43Å; S559-I579 PolarHBondContact O-N 3.45Å
560	I	84	Confident	75.8	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.026	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.3	-171.8	-61.8	160.6	0	0	0	110.1	N533 S534 F536 L539 W576 V577	N533-I560 PolarHBondContact OD1-O 3.43Å; S534-I560 PolarHBondContact N-O 2.94Å; S534-I560 WeakPolarHBondContact O-CB 3.48Å; F536-I560 VanDerWaalsContact CA-CD1 3.46Å; F536-I560 HydrophobicContact CB-CD1 3.91Å; F536-I560 HydrophobicContact CD2-CD1 3.84Å; F536-I560 HydrophobicContact CG-CD1 4.32Å; L539-I560 HydrophobicContact CB-CD1 4.09Å; L539-I560 HydrophobicContact CB-CG2 4.36Å; L539-I560 HydrophobicContact CD2-CD1 3.59Å; L539-I560 HydrophobicContact CD2-CG1 4.04Å; L539-I560 HydrophobicContact CD2-CG2 4.25Å; L539-I560 HydrophobicContact CG-CD1 4.49Å; I560-W576 HydrophobicContact CG2-CE3 3.91Å; I560-W576 HydrophobicContact CG2-CZ3 4.25Å; I560-V577 WeakPolarHBondContact CA-O 3.49Å
561	F	86.1	Confident	75.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	153.4	176.5	-57	-76.8	0	0	0	110.8	T390 L394 L502 W531 K532 N533 W576 V577 I579	T390-F561 HydrophobicContact CG2-CE1 4.47Å; L394-F561 HydrophobicContact CD1-CZ 4.17Å; L394-F561 HydrophobicContact CD2-CZ 4.14Å; L394-F561 HydrophobicContact CG-CZ 4.41Å; L502-F561 HydrophobicContact CD1-CZ 4.16Å; W531-F561 HydrophobicContact CD2-CB 4.49Å; W531-F561 AromaticContact CE2-CD1 3.93Å; W531-F561 AromaticContact CE2-CG 3.81Å; W531-F561 HydrophobicContact CH2-CB 3.72Å; W531-F561 HydrophobicContact CH2-CD2 4.4Å; W531-F561 HydrophobicContact CH2-CG 4.15Å; W531-F561 HydrophobicContact CZ2-CB 3.3Å; W531-F561 AromaticContact CZ2-CD1 3.89Å; W531-F561 HydrophobicContact CZ2-CD1 3.89Å; W531-F561 AromaticContact CZ2-CD2 3.72Å; W531-F561 HydrophobicContact CZ2-CD2 3.72Å; W531-F561 AromaticContact CZ2-CG 3.33Å; W531-F561 HydrophobicContact CZ2-CG 3.33Å; W531-F561 HydrophobicContact CZ3-CB 4.46Å; W531-F561 AromaticContact NE1-CD1 3.65Å; K532-F561 CarbonylContact O-C 3.38Å; K532-F561 VanDerWaalsContact O-CA 3.3Å; K532-F561 WeakPolarHBondContact O-CA 3.18Å; N533-F561 HydrophobicContact CB-CD1 4.27Å; N533-F561 HydrophobicContact CB-CE1 4.26Å; F561-W576 CarbonylContact O-C 3.58Å; F561-W576 WeakPolarHBondContact O-CA 3.45Å; F561-V577 HydrophobicContact CB-CB 4.33Å; F561-V577 PolarHBondContact N-O 3Å; F561-V577 PolarHBondContact O-N 3.34Å; F561-I579 HydrophobicContact CD2-CD1 3.79Å; F561-I579 HydrophobicContact CD2-CG1 4.05Å; F561-I579 HydrophobicContact CE2-CD1 3.58Å; F561-I579 HydrophobicContact CE2-CG1 4.05Å
562	Q	86.2	Confident	75	Confident	31 Å²	31	45.9 Å²	45.9	15%	0.145	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.9	173.7	-172.7	-177.6	39.7	0	0	108.4	K532 H564 T574 W576	K532-Q562 HydrophobicContact CB-CB 4.4Å; K532-Q562 PolarHBondContact N-O 2.91Å; K532-Q562 PolarHBondContact O-N 2.87Å; Q562-H564 PolarHBondContact NE2-CE1 3.13Å; Q562-H564 PolarHBondContact OE1-NE2 3.12Å; Q562-T574 HydrophobicContact CG-CG2 3.59Å; Q562-W576 HydrophobicContact CB-CE3 4.39Å; Q562-W576 HydrophobicContact CB-CZ3 4.42Å
563	C	85.9	Confident	75.3	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	131.9	176.2	-171.6	0	0	0	0	109.6	W531 V575 V577 L689	W531-C563 HydrophobicContact CE3-CB 3.67Å; W531-C563 HydrophobicContact CZ3-CB 3.68Å; C563-V575 HydrophobicContact CB-CB 4.38Å; C563-V575 PolarHBondContact N-O 2.77Å; C563-V575 PolarHBondContact O-N 3.11Å; C563-V577 HydrophobicContact CB-CG2 4.46Å; C563-L689 HydrophobicContact CB-CD2 4.49Å
564	H	84.3	Confident	75.7	Confident	12 Å²	12	38.3 Å²	38.3	6%	0.056	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	114.5	174.7	-59.5	-66.8	0	0	0	109.7	I529 R530 Q562 F572 V573 T574	I529-H564 PolarHBondContact N-O 3.46Å; R530-H564 HydrophobicContact CB-CB 4.23Å; R530-H564 PolarHBondContact N-O 3.18Å; R530-H564 PolarHBondContact O-N 2.99Å; Q562-H564 PolarHBondContact NE2-CE1 3.13Å; Q562-H564 PolarHBondContact OE1-NE2 3.12Å; H564-F572 HydrophobicContact CB-CB 4.36Å; H564-F572 HydrophobicContact CB-CD2 3.94Å; H564-F572 HydrophobicContact CB-CG 4.35Å; H564-F572 AromaticContact CE1-CE2 3.86Å; H564-F572 AromaticContact CG-CD2 3.89Å; H564-F572 AromaticContact ND1-CD2 3.43Å; H564-F572 WeakPolarHBondContact ND1-CD2 3.3Å; H564-F572 AromaticContact ND1-CE2 3.45Å; H564-F572 WeakPolarHBondContact ND1-CE2 3.3Å; H564-V573 CarbonylContact C-O 3.55Å; H564-V573 WeakPolarHBondContact CA-O 3.35Å; H564-T574 PolarHBondContact CE1-OG1 3.23Å; H564-T574 PolarHBondContact ND1-OG1 3.18Å
565	F	81.6	Confident	76.3	Confident	1 Å²	1	38.2 Å²	38.2	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	133.8	173.8	-71.8	-80.1	0	0	0	110.2	H527 I528 F572 V573 V575 L689 A693 I696	H527-F565 WeakPolarHBondContact O-CA 3.45Å; I528-F565 HydrophobicContact CD1-CE1 4.05Å; I528-F565 HydrophobicContact CD1-CZ 4.37Å; I528-F565 HydrophobicContact CG1-CD1 3.78Å; I528-F565 HydrophobicContact CG1-CE1 3.37Å; I528-F565 HydrophobicContact CG1-CZ 4.05Å; F565-F572 CarbonylContact O-C 3.59Å; F565-F572 WeakPolarHBondContact O-CA 3.45Å; F565-F572 WeakPolarHBondContact O-CB 3.41Å; F565-V573 PolarHBondContact N-O 2.53Å; F565-V573 PolarHBondContact O-N 3.48Å; F565-V575 HydrophobicContact CD2-CB 4.42Å; F565-V575 HydrophobicContact CD2-CG2 3.64Å; F565-V575 HydrophobicContact CE2-CB 4.26Å; F565-V575 HydrophobicContact CE2-CG2 3.82Å; F565-L689 HydrophobicContact CE2-CD2 4.02Å; F565-L689 HydrophobicContact CZ-CB 4.13Å; F565-L689 HydrophobicContact CZ-CD2 3.74Å; F565-A693 HydrophobicContact CD1-CB 4.05Å; F565-A693 HydrophobicContact CE1-CB 3.76Å; F565-A693 HydrophobicContact CZ-CB 4.43Å; F565-I696 HydrophobicContact CD2-CD1 4.31Å
566	G	75.1	Confident	77	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	174.6	172.9	0	0	0	0	0	113	H527 I529 C571	H527-G566 PolarHBondContact CE1-O 3.32Å; H527-G566 PolarHBondContact N-O 3.46Å; H527-G566 PolarHBondContact ND1-O 2.89Å; H527-G566 PolarHBondContact O-N 2.99Å; I529-G566 VanDerWaalsContact CD1-CA 3.43Å; G566-C571 WeakPolarHBondContact CA-O 3.43Å
567	R	73	Confident	77.8	Confident	63 Å²	63	31.6 Å²	31.6	24%	0.238	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-35.9	169.9	-60.6	-176.7	-178.7	-155.7	-11.3	110.9	E525 L526 H527 D697	E525-R567 IonicContact OE2-CZ 2.68Å; E525-R567 IonicContact OE2-NE 2.87Å; E525-R567 IonicContact OE2-NH1 3.92Å; E525-R567 PolarHBondContact OE2-NH1 2.67Å; E525-R567 IonicContact OE2-NH2 2.59Å; E525-R567 PolarHBondContact OE2-NH2 2.79Å; L526-R567 HydrophobicContact CD2-CG 3.69Å; H527-R567 PolarHBondContact CE1-O 3.16Å; R567-D697 IonicContact CZ-OD1 3.74Å; R567-D697 IonicContact NE-OD1 3.74Å; R567-D697 IonicContact NH2-OD1 2.81Å; R567-D697 PolarHBondContact NH2-OD1 2.77Å
568	D	66.8	Low	78.5	Confident	95 Å²	95	29.7 Å²	29.7	51%	0.508	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	158.4	178.1	-62.5	-44.6	0	0	0	109.4	I529 N570 C571	I529-D568 VanDerWaalsContact CD1-O 3.3Å; I529-D568 WeakPolarHBondContact CD1-O 3.38Å; D568-N570 PolarHBondContact O-N 2.83Å; D568-C571 CarbonylContact O-C 3.37Å; D568-C571 PolarHBondContact O-N 2.88Å
569	E	65.3	Low	78.9	Confident	160 Å²	160	29.2 Å²	29.2	75%	0.748	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-27	179.5	-64.2	-170.6	161.1	0	0	113.8
570	N	61	Low	79	Confident	136 Å²	136	28.7 Å²	28.7	73%	0.727	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-17.7	-178.3	-66.4	-15	0	0	0	113.4	D568	D568-N570 PolarHBondContact O-N 2.83Å
571	C	66.6	Low	78.4	Confident	10 Å²	10	28.4 Å²	28.4	7%	0.068	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	91.3	-173.1	-71.9	0	0	0	0	110.4	G566 D568 F598 V599	G566-C571 WeakPolarHBondContact CA-O 3.43Å; D568-C571 CarbonylContact O-C 3.37Å; D568-C571 PolarHBondContact O-N 2.88Å; C571-F598 HydrophobicContact CB-CD1 3.62Å; C571-F598 HydrophobicContact CB-CE1 3.75Å; C571-F598 HydrophobicContact CB-CG 4.16Å; C571-F598 HydrophobicContact CB-CZ 4.38Å; C571-V599 PolarHBondContact SG-N 3.1Å; C571-V599 VanDerWaalsContact SG-N 3.43Å; C571-V599 PolarHBondContact SG-O 3.37Å
572	F	71.9	Confident	77.8	Confident	53 Å²	53	30.3 Å²	30.3	23%	0.232	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	151.7	-178.9	66.9	-90.2	0	0	0	113.7	I529 H564 F565 N597	I529-F572 HydrophobicContact CD1-CB 4.28Å; H564-F572 HydrophobicContact CB-CB 4.36Å; H564-F572 HydrophobicContact CB-CD2 3.94Å; H564-F572 HydrophobicContact CB-CG 4.35Å; H564-F572 AromaticContact CE1-CE2 3.86Å; H564-F572 AromaticContact CG-CD2 3.89Å; H564-F572 AromaticContact ND1-CD2 3.43Å; H564-F572 WeakPolarHBondContact ND1-CD2 3.3Å; H564-F572 AromaticContact ND1-CE2 3.45Å; H564-F572 WeakPolarHBondContact ND1-CE2 3.3Å; F565-F572 CarbonylContact O-C 3.59Å; F565-F572 WeakPolarHBondContact O-CA 3.45Å; F565-F572 WeakPolarHBondContact O-CB 3.41Å; F572-N597 WeakPolarHBondContact CZ-ND2 3.3Å
573	V	79.4	Confident	77.2	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	134	171.4	-169	0	0	0	0	108.4	H564 F565 M592 L595 F598 I696	H564-V573 CarbonylContact C-O 3.55Å; H564-V573 WeakPolarHBondContact CA-O 3.35Å; F565-V573 PolarHBondContact N-O 2.53Å; F565-V573 PolarHBondContact O-N 3.48Å; V573-M592 HydrophobicContact CG1-CE 3.48Å; V573-M592 VanDerWaalsContact CG1-CE 3.48Å; V573-L595 HydrophobicContact CB-CD2 4.36Å; V573-L595 HydrophobicContact CG1-CD2 3.88Å; V573-L595 HydrophobicContact CG1-CG 4.43Å; V573-L595 HydrophobicContact CG2-CD2 3.54Å; V573-F598 HydrophobicContact CG2-CD2 4.38Å; V573-F598 HydrophobicContact CG2-CE2 3.64Å; V573-I696 HydrophobicContact CG1-CD1 4.42Å; V573-I696 HydrophobicContact CG2-CG2 4.06Å
574	T	83.4	Confident	76.5	Confident	18 Å²	18	29.8 Å²	29.8	11%	0.11	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124.9	179.3	-59	0	0	0	0	110.2	Q562 H564 D593	Q562-T574 HydrophobicContact CG-CG2 3.59Å; H564-T574 PolarHBondContact CE1-OG1 3.23Å; H564-T574 PolarHBondContact ND1-OG1 3.18Å; T574-D593 HydrophobicContact CG2-CB 4.46Å; T574-D593 PolarHBondContact O-N 3.09Å
575	V	85.8	Confident	76	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	121.2	179.3	-173	0	0	0	0	108.4	C563 F565 L590 M592	C563-V575 HydrophobicContact CB-CB 4.38Å; C563-V575 PolarHBondContact N-O 2.77Å; C563-V575 PolarHBondContact O-N 3.11Å; F565-V575 HydrophobicContact CD2-CB 4.42Å; F565-V575 HydrophobicContact CD2-CG2 3.64Å; F565-V575 HydrophobicContact CE2-CB 4.26Å; F565-V575 HydrophobicContact CE2-CG2 3.82Å; V575-L590 HydrophobicContact CG1-CB 4.16Å; V575-L590 HydrophobicContact CG1-CD2 4.06Å; V575-L590 HydrophobicContact CG1-CG 4.47Å; V575-M592 HydrophobicContact CB-SD 4.1Å; V575-M592 HydrophobicContact CG1-SD 3.74Å; V575-M592 HydrophobicContact CG2-CE 3.59Å; V575-M592 HydrophobicContact CG2-SD 3.38Å; V575-M592 WeakPolarHBondContact CG2-SD 3.45Å
576	W	86.8	Confident	75.8	Confident	14 Å²	14	38.9 Å²	38.9	5%	0.053	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	128.9	174.7	-63.6	88.1	0	0	0	109.1	L539 V542 I560 F561 Q562 L590 I591 D593	L539-W576 HydrophobicContact CD1-CB 3.9Å; L539-W576 HydrophobicContact CD1-CD2 3.82Å; L539-W576 HydrophobicContact CD1-CE3 3.78Å; L539-W576 HydrophobicContact CD1-CG 3.89Å; L539-W576 HydrophobicContact CD1-CZ3 4.5Å; V542-W576 HydrophobicContact CG2-CZ2 3.87Å; I560-W576 HydrophobicContact CG2-CE3 3.91Å; I560-W576 HydrophobicContact CG2-CZ3 4.25Å; F561-W576 CarbonylContact O-C 3.58Å; F561-W576 WeakPolarHBondContact O-CA 3.45Å; Q562-W576 HydrophobicContact CB-CE3 4.39Å; Q562-W576 HydrophobicContact CB-CZ3 4.42Å; W576-L590 CarbonylContact O-C 3.19Å; W576-L590 VanDerWaalsContact O-CA 3.31Å; W576-L590 WeakPolarHBondContact O-CA 3.08Å; W576-I591 HydrophobicContact CB-CB 4.23Å; W576-I591 PolarHBondContact N-O 3.03Å; W576-I591 PolarHBondContact O-N 3.31Å; W576-D593 PolarHBondContact NE1-OD2 3.48Å
577	V	86.7	Confident	76.1	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	116.2	180	-178	0	0	0	0	108	W531 I560 F561 C563 I579 P588 L590 L685 L689	W531-V577 HydrophobicContact CH2-CB 4.13Å; W531-V577 HydrophobicContact CH2-CG1 4.3Å; W531-V577 HydrophobicContact CH2-CG2 3.98Å; W531-V577 HydrophobicContact CZ3-CG2 4.03Å; I560-V577 WeakPolarHBondContact CA-O 3.49Å; F561-V577 HydrophobicContact CB-CB 4.33Å; F561-V577 PolarHBondContact N-O 3Å; F561-V577 PolarHBondContact O-N 3.34Å; C563-V577 HydrophobicContact CB-CG2 4.46Å; V577-I579 HydrophobicContact CG1-CG1 3.95Å; V577-P588 HydrophobicContact CG1-CB 4.2Å; V577-L590 HydrophobicContact CG2-CD2 4.28Å; V577-L590 HydrophobicContact CG2-CG 4.21Å; V577-L685 HydrophobicContact CG1-CD1 3.46Å; V577-L685 VanDerWaalsContact CG1-CD1 3.46Å; V577-L689 HydrophobicContact CG2-CD2 4.14Å
578	C	84.8	Confident	76.7	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.007	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	111.1	174.5	-54.9	0	0	0	0	108.5	L539 I554 P580 P588 L589	L539-C578 VanDerWaalsContact CD2-SG 3.56Å; I554-C578 HydrophobicContact CG2-CB 4.38Å; C578-P580 WeakPolarHBondContact O-CD 3.47Å; C578-P588 WeakPolarHBondContact O-CA 3.17Å; C578-L589 HydrophobicContact CB-CB 4.3Å; C578-L589 PolarHBondContact N-O 2.69Å; C578-L589 PolarHBondContact O-N 2.93Å
579	I	83.9	Confident	77.5	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	114.2	178.4	-54.5	-172.6	0	0	0	108.6	L498 S559 F561 V577 Y583 P588 L685	L498-I579 HydrophobicContact CD1-CD1 4.13Å; L498-I579 HydrophobicContact CD1-CG2 3.86Å; S559-I579 PolarHBondContact N-O 3.43Å; S559-I579 PolarHBondContact O-N 3.45Å; F561-I579 HydrophobicContact CD2-CD1 3.79Å; F561-I579 HydrophobicContact CD2-CG1 4.05Å; F561-I579 HydrophobicContact CE2-CD1 3.58Å; F561-I579 HydrophobicContact CE2-CG1 4.05Å; V577-I579 HydrophobicContact CG1-CG1 3.95Å; I579-Y583 HydrophobicContact CG2-CD2 4.41Å; I579-Y583 HydrophobicContact CG2-CG 4.35Å; I579-P588 HydrophobicContact CG1-CB 4.42Å; I579-L685 HydrophobicContact CD1-CD2 3.79Å
580	P	80.3	Confident	78.5	Confident	3 Å²	3	26.2 Å²	26.2	2%	0.019	13%	0.132	C	C	.	.			trans	-71.6	153.3	176.7	30.3	-34.6	0	0	0	111.3	D558 C578 Q582 Y583 K586	D558-P580 WeakPolarHBondContact OD1-CA 3.38Å; C578-P580 WeakPolarHBondContact O-CD 3.47Å; P580-Q582 PolarHBondContact O-N 3.29Å; P580-Q582 VanDerWaalsContact O-N 3.13Å; P580-Y583 PolarHBondContact O-N 3.22Å; P580-Y583 VanDerWaalsContact O-N 3.16Å; P580-K586 HydrophobicContact CB-CB 4.38Å; P580-K586 HydrophobicContact CB-CD 3.85Å; P580-K586 HydrophobicContact CB-CG 4.33Å; P580-K586 HydrophobicContact CG-CB 3.8Å; P580-K586 HydrophobicContact CG-CD 3.91Å; P580-K586 HydrophobicContact CG-CG 3.83Å; P580-K586 WeakPolarHBondContact CG-O 3.48Å
581	P	71.7	Confident	79.6	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.7	-178.7	21.8	-28.4	0	0	0	113.6	Q399 R491 R495 E557 D558 Y583	Q399-P581 HydrophobicContact CB-CB 4.39Å; R491-P581 PolarHBondContact NE-O 3.42Å; R491-P581 PolarHBondContact NH1-O 3.41Å; R491-P581 VanDerWaalsContact NH1-O 3.1Å; R495-P581 VanDerWaalsContact NH2-CA 3.27Å; R495-P581 PolarHBondContact NH2-O 2.75Å; E557-P581 HydrophobicContact CB-CG 4.49Å; D558-P581 WeakPolarHBondContact OD1-CD 3.28Å; P581-Y583 VanDerWaalsContact C-N 3.28Å; P581-Y583 PolarHBondContact O-N 2.74Å
582	Q	73.2	Confident	80.3	Confident	39 Å²	39	19.9 Å²	19.9	18%	0.182	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	13.1	176.3	-52.1	84.7	22.6	0	0	114.5	S403 P580 H585 K586	S403-Q582 PolarHBondContact OG-NE2 3.29Å; P580-Q582 PolarHBondContact O-N 3.29Å; P580-Q582 VanDerWaalsContact O-N 3.13Å; Q582-H585 WeakPolarHBondContact O-CA 3.13Å; Q582-H585 WeakPolarHBondContact O-CB 3.41Å; Q582-H585 PolarHBondContact O-N 3.25Å; Q582-K586 HydrophobicContact CB-CB 4.23Å; Q582-K586 PolarHBondContact O-N 2.63Å
583	Y	74.4	Confident	80.4	Confident	2 Å²	2	20.2 Å²	20.2	1%	0.008	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	133.3	172.8	-173.2	-94.7	0	0	0	111.2	L498 E501 I579 P580 P581 P588 R682 I684 L685	L498-Y583 HydrophobicContact CB-CD1 4.23Å; L498-Y583 HydrophobicContact CB-CE1 4.1Å; L498-Y583 HydrophobicContact CD1-CD1 3.37Å; L498-Y583 HydrophobicContact CD1-CD2 4.46Å; L498-Y583 HydrophobicContact CD1-CE1 3.6Å; L498-Y583 HydrophobicContact CD1-CG 3.83Å; L498-Y583 HydrophobicContact CG-CD1 4.39Å; L498-Y583 HydrophobicContact CG-CE1 4.32Å; E501-Y583 PolarHBondContact OE2-OH 3.21Å; I579-Y583 HydrophobicContact CG2-CD2 4.41Å; I579-Y583 HydrophobicContact CG2-CG 4.35Å; P580-Y583 PolarHBondContact O-N 3.22Å; P580-Y583 VanDerWaalsContact O-N 3.16Å; P581-Y583 VanDerWaalsContact C-N 3.28Å; P581-Y583 PolarHBondContact O-N 2.74Å; Y583-P588 HydrophobicContact CD2-CG 4.14Å; Y583-P588 HydrophobicContact CE2-CG 3.84Å; Y583-R682 PolarHBondContact OH-O 2.95Å; Y583-I684 HydrophobicContact CE2-CB 3.92Å; Y583-I684 HydrophobicContact CE2-CD1 4.41Å; Y583-I684 PolarHBondContact OH-N 3.1Å; Y583-I684 VanDerWaalsContact OH-N 3.14Å; Y583-L685 PolarHBondContact OH-N 3.25Å
584	P	71	Confident	79.6	Confident	18 Å²	18	22.2 Å²	22.2	12%	0.117	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.1	0.1	8	36.1	-37.4	0	0	0	115.5	D494 K586 I684	D494-P584 WeakPolarHBondContact OD2-CD 3.48Å; P584-K586 VanDerWaalsContact C-N 3.28Å; P584-K586 PolarHBondContact O-N 2.92Å; P584-I684 HydrophobicContact CB-CD1 3.8Å; P584-I684 WeakPolarHBondContact O-CD1 3.44Å
585	H	73.9	Confident	78.4	Confident	130 Å²	130	23.8 Å²	23.8	60%	0.602	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-34.8	-178.9	-61.6	-72.5	0	0	0	113.1	Q582	Q582-H585 WeakPolarHBondContact O-CA 3.13Å; Q582-H585 WeakPolarHBondContact O-CB 3.41Å; Q582-H585 PolarHBondContact O-N 3.25Å
586	K	76.4	Confident	76.6	Confident	75 Å²	75	30.5 Å²	30.5	33%	0.326	16%	0.164	S	C	.	.	S	Bend	trans	-111.7	124.6	170.6	-168.4	-178.4	170.8	-164.6	0	108.6	V553 P580 Q582 P584	V553-K586 PolarHBondContact O-NZ 2.91Å; P580-K586 HydrophobicContact CB-CB 4.38Å; P580-K586 HydrophobicContact CB-CD 3.85Å; P580-K586 HydrophobicContact CB-CG 4.33Å; P580-K586 HydrophobicContact CG-CB 3.8Å; P580-K586 HydrophobicContact CG-CD 3.91Å; P580-K586 HydrophobicContact CG-CG 3.83Å; P580-K586 WeakPolarHBondContact CG-O 3.48Å; Q582-K586 HydrophobicContact CB-CB 4.23Å; Q582-K586 PolarHBondContact O-N 2.63Å; P584-K586 VanDerWaalsContact C-N 3.28Å; P584-K586 PolarHBondContact O-N 2.92Å
587	A	81.9	Confident	74.7	Confident	16 Å²	16	33.2 Å²	33.2	13%	0.132	18%	0.179	C	C	.	.			trans	-67.4	152.4	179.9	0	0	0	0	0	111.8	W630 I684	A587-W630 HydrophobicContact CB-CD2 3.82Å; A587-W630 HydrophobicContact CB-CG 3.98Å; A587-W630 HydrophobicContact CB-CZ2 4Å; A587-I684 HydrophobicContact CB-CG2 4.11Å
588	P	84.8	Confident	72.7	Confident	3 Å²	3	34.7 Å²	34.7	2%	0.019	19%	0.186	C	C	.	.			trans	-59.1	148.4	169.5	-11	21.4	0	0	0	111.3	V577 C578 I579 Y583 L590 L685 Q688	V577-P588 HydrophobicContact CG1-CB 4.2Å; C578-P588 WeakPolarHBondContact O-CA 3.17Å; I579-P588 HydrophobicContact CG1-CB 4.42Å; Y583-P588 HydrophobicContact CD2-CG 4.14Å; Y583-P588 HydrophobicContact CE2-CG 3.84Å; P588-L590 HydrophobicContact CB-CD1 4.28Å; P588-L685 HydrophobicContact CB-CD1 4.15Å; P588-L685 HydrophobicContact CG-CB 4.04Å; P588-L685 HydrophobicContact CG-CD1 4Å; P588-Q688 PolarHBondContact O-NE2 3.45Å; P588-Q688 PolarHBondContact O-OE1 3.41Å
589	L	85.1	Confident	70.4	Confident	31 Å²	31	39.9 Å²	39.9	16%	0.162	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	122.3	172.9	-169.2	76.4	0	0	0	109.2	M548 V553 I554 C578 N627	M548-L589 HydrophobicContact CB-CD2 4.4Å; M548-L589 HydrophobicContact CG-CD2 4.43Å; M548-L589 HydrophobicContact SD-CD2 3.51Å; M548-L589 VanDerWaalsContact SD-CD2 3.51Å; M548-L589 HydrophobicContact SD-CG 4.19Å; V553-L589 HydrophobicContact CG1-CD2 3.95Å; I554-L589 HydrophobicContact CD1-CD2 3.86Å; I554-L589 HydrophobicContact CG1-CD2 3.57Å; C578-L589 HydrophobicContact CB-CB 4.3Å; C578-L589 PolarHBondContact N-O 2.69Å; C578-L589 PolarHBondContact O-N 2.93Å; L589-N627 HydrophobicContact CD1-CB 4.11Å
590	L	85.8	Confident	68	Low	2 Å²	2	43.7 Å²	43.7	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.4	177.5	-68.9	84.7	0	0	0	109.6	V575 W576 V577 P588 V626 N627 Q688 L689 C692	V575-L590 HydrophobicContact CG1-CB 4.16Å; V575-L590 HydrophobicContact CG1-CD2 4.06Å; V575-L590 HydrophobicContact CG1-CG 4.47Å; W576-L590 CarbonylContact O-C 3.19Å; W576-L590 VanDerWaalsContact O-CA 3.31Å; W576-L590 WeakPolarHBondContact O-CA 3.08Å; V577-L590 HydrophobicContact CG2-CD2 4.28Å; V577-L590 HydrophobicContact CG2-CG 4.21Å; P588-L590 HydrophobicContact CB-CD1 4.28Å; L590-V626 HydrophobicContact CB-CG1 4.05Å; L590-V626 HydrophobicContact CD1-CG1 3.86Å; L590-V626 HydrophobicContact CD2-CG1 3.98Å; L590-V626 HydrophobicContact CG-CG1 4.17Å; L590-N627 PolarHBondContact N-OD1 3.07Å; L590-N627 PolarHBondContact O-ND2 2.84Å; L590-Q688 HydrophobicContact CD1-CB 3.83Å; L590-Q688 HydrophobicContact CD1-CG 4.27Å; L590-Q688 VanDerWaalsContact CD1-OE1 3.27Å; L590-Q688 HydrophobicContact CD2-CB 4.42Å; L590-L689 HydrophobicContact CD2-CD2 3.75Å; L590-L689 HydrophobicContact CD2-CG 4.41Å; L590-C692 HydrophobicContact CD2-CB 4.47Å
591	I	84.9	Confident	66.1	Low	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.3	179.6	-45.7	174.8	0	0	0	107.7	L539 R544 A545 M548 I554 W576	L539-I591 HydrophobicContact CD1-CD1 4.34Å; R544-I591 HydrophobicContact CB-CG2 4.23Å; R544-I591 HydrophobicContact CG-CG2 4.16Å; A545-I591 HydrophobicContact CB-CD1 3.85Å; M548-I591 HydrophobicContact CE-CG1 4.42Å; M548-I591 HydrophobicContact SD-CD1 3.6Å; M548-I591 VanDerWaalsContact SD-CD1 3.6Å; M548-I591 HydrophobicContact SD-CG1 3.6Å; I554-I591 HydrophobicContact CD1-CD1 3.42Å; I554-I591 VanDerWaalsContact CD1-CD1 3.42Å; W576-I591 HydrophobicContact CB-CB 4.23Å; W576-I591 PolarHBondContact N-O 3.03Å; W576-I591 PolarHBondContact O-N 3.31Å
592	M	81	Confident	64.3	Low	12 Å²	12	54.9 Å²	54.9	6%	0.059	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	121.5	-179.8	-61.9	-62.8	-60.3	0	0	108.9	V573 V575 V619 L622 E623 C692 I696	V573-M592 HydrophobicContact CG1-CE 3.48Å; V573-M592 VanDerWaalsContact CG1-CE 3.48Å; V575-M592 HydrophobicContact CB-SD 4.1Å; V575-M592 HydrophobicContact CG1-SD 3.74Å; V575-M592 HydrophobicContact CG2-CE 3.59Å; V575-M592 HydrophobicContact CG2-SD 3.38Å; V575-M592 WeakPolarHBondContact CG2-SD 3.45Å; M592-V619 HydrophobicContact CB-CG1 3.55Å; M592-V619 HydrophobicContact CG-CG1 4.22Å; M592-L622 HydrophobicContact CE-CD2 4.4Å; M592-L622 HydrophobicContact CG-CD2 3.72Å; M592-L622 HydrophobicContact SD-CD2 3.85Å; M592-E623 HydrophobicContact CB-CG 4.5Å; M592-E623 HydrophobicContact CG-CG 3.99Å; M592-E623 PolarHBondContact N-OE1 3.45Å; M592-C692 VanDerWaalsContact SD-SG 3.65Å; M592-I696 HydrophobicContact CE-CD1 3.6Å; M592-I696 HydrophobicContact CE-CG1 4.02Å
593	D	73.6	Confident	62.2	Low	61 Å²	61	56.7 Å²	56.7	33%	0.326	34%	0.338	S	S	.	.			trans	-89.6	142	166.7	-158.1	-2.1	0	0	0	108.5	T574 W576	T574-D593 HydrophobicContact CG2-CB 4.46Å; T574-D593 PolarHBondContact O-N 3.09Å; W576-D593 PolarHBondContact NE1-OD2 3.48Å
594	G	62.7	Low	60.1	Low	41 Å²	41	61.7 Å²	61.7	42%	0.423	37%	0.369	S	S	.	.			trans	-44.9	149.7	-163	0	0	0	0	0	115.4	I596	G594-I596 PolarHBondContact O-N 3.37Å
595	L	57.3	Low	58.2	Low	51 Å²	51	70.2 Å²	70.2	27%	0.267	41%	0.407	S	S	.	.			trans	-69.3	29.1	-175.2	-78.4	151.1	0	0	0	115.6	V573 N597 L614	V573-L595 HydrophobicContact CB-CD2 4.36Å; V573-L595 HydrophobicContact CG1-CD2 3.88Å; V573-L595 HydrophobicContact CG1-CG 4.43Å; V573-L595 HydrophobicContact CG2-CD2 3.54Å; L595-N597 PolarHBondContact O-N 3.43Å; L595-N597 VanDerWaalsContact O-N 3.11Å; L595-L614 HydrophobicContact CD1-CB 3.96Å; L595-L614 HydrophobicContact CD1-CD1 3.23Å; L595-L614 HydrophobicContact CD1-CG 4.16Å
596	I	47.7	Very low	56	Low	142 Å²	142	69.2 Å²	69.2	73%	0.728	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	92.7	-176.3	-52.5	169.6	0	0	0	107.4	G594	G594-I596 PolarHBondContact O-N 3.37Å
597	N	48.4	Very low	53.9	Low	71 Å²	71	72.3 Å²	72.3	38%	0.38	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	175.8	6.9	148	-85.6	-16.2	0	0	0	114	F572 L595 V599	F572-N597 WeakPolarHBondContact CZ-ND2 3.3Å; L595-N597 PolarHBondContact O-N 3.43Å; L595-N597 VanDerWaalsContact O-N 3.11Å; N597-V599 VanDerWaalsContact C-N 3.34Å; N597-V599 PolarHBondContact O-N 3.46Å
598	F	43.1	Very low	51.5	Low	30 Å²	30	80 Å²	80	13%	0.132	47%	0.465	C	S	.	.			trans	-73.4	86.1	172.5	-87.5	-84.7	0	0	0	111.6	L526 C571 V573 Y700	L526-F598 HydrophobicContact CD2-CZ 4.11Å; C571-F598 HydrophobicContact CB-CD1 3.62Å; C571-F598 HydrophobicContact CB-CE1 3.75Å; C571-F598 HydrophobicContact CB-CG 4.16Å; C571-F598 HydrophobicContact CB-CZ 4.38Å; V573-F598 HydrophobicContact CG2-CD2 4.38Å; V573-F598 HydrophobicContact CG2-CE2 3.64Å; F598-Y700 HydrophobicContact CD1-CE2 4.1Å; F598-Y700 HydrophobicContact CE1-CE2 4.39Å
599	V	36.9	Very low	48.9	Very low	110 Å²	110	85.8 Å²	85.8	67%	0.667	50%	0.496	S	S	*	.			trans	-87.2	120.3	166.2	-179.8	0	0	0	0	107.8	C571 N597	C571-V599 PolarHBondContact SG-N 3.1Å; C571-V599 VanDerWaalsContact SG-N 3.43Å; C571-V599 PolarHBondContact SG-O 3.37Å; N597-V599 VanDerWaalsContact C-N 3.34Å; N597-V599 PolarHBondContact O-N 3.46Å
600	S	35.1	Very low	46.5	Very low	80 Å²	80	89.1 Å²	89.1	56%	0.559	52%	0.517	S	S	*	.			trans	-53.3	139.2	176.8	-173.3	0	0	0	0	110.9	N602	S600-N602 PolarHBondContact O-N 2.95Å
601	P	39.3	Very low	44.3	Very low	105 Å²	105	92 Å²	92	68%	0.682	53%	0.534	S	S	*	.	S	Bend	trans	-62	-8.7	179.8	-19.3	30.3	0	0	0	114.6	G603	P601-G603 PolarHBondContact O-N 3.3Å
602	N	33.4	Very low	42.2	Very low	133 Å²	133	97 Å²	97	71%	0.711	57%	0.565	S	S	*	*	S	Bend	trans	-97.5	89.5	-177.2	-68	-9.7	0	0	0	110.1	S600 T604	S600-N602 PolarHBondContact O-N 2.95Å; N602-T604 PolarHBondContact O-N 3.08Å
603	G	28.9	Very low	40.7	Very low	77 Å²	77	103.2 Å²	103.2	79%	0.794	60%	0.599	S	S	*	*			trans	-54.5	107.4	172.1	0	0	0	0	0	112.3	P601	P601-G603 PolarHBondContact O-N 3.3Å
604	T	32.2	Very low	40.1	Very low	107 Å²	107	101.8 Å²	101.8	66%	0.656	59%	0.591	S	S	*	*			trans	-137.6	130.3	143.5	39.6	0	0	0	0	107.4	N602 N606	N602-T604 PolarHBondContact O-N 3.08Å; T604-N606 PolarHBondContact O-N 3.25Å
605	H	30.9	Very low	40.2	Very low	197 Å²	197	102.4 Å²	102.4	91%	0.912	59%	0.589	S	S	*	*			trans	-66.4	60.6	-177.4	-81.9	-87.5	0	0	0	112.8
606	N	27.3	Very low	40.9	Very low	110 Å²	110	106 Å²	106	59%	0.588	61%	0.608	S	S	*	*			trans	-104	105.1	167.4	-70.1	-5.2	0	0	0	107.6	T604 E608 D609	T604-N606 PolarHBondContact O-N 3.25Å; N606-E608 PolarHBondContact O-N 3.37Å; N606-D609 PolarHBondContact O-N 2.73Å
607	T	31.5	Very low	42.2	Very low	140 Å²	140	102.2 Å²	102.2	86%	0.859	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	18.7	175.9	40.7	0	0	0	0	114.5
608	E	31.1	Very low	43.5	Very low	177 Å²	177	99.9 Å²	99.9	83%	0.827	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.1	-6.9	-178.9	-64.1	-173.6	168.4	0	0	113.2	N606 V610	N606-E608 PolarHBondContact O-N 3.37Å; E608-V610 VanDerWaalsContact C-N 3.27Å; E608-V610 PolarHBondContact O-N 2.92Å
609	D	30.9	Very low	45.2	Very low	125 Å²	125	99.4 Å²	99.4	67%	0.668	58%	0.576	S	S	*	*			trans	-91.9	29.1	176.1	-83.1	-33.5	0	0	0	113.2	N606 V611	N606-D609 PolarHBondContact O-N 2.73Å; D609-V611 PolarHBondContact O-N 3.16Å
610	V	34.2	Very low	47.3	Very low	100 Å²	100	99.1 Å²	99.1	61%	0.606	57%	0.567	S	S	*	*			trans	-69.8	119.7	165.8	-177.5	0	0	0	0	106.9	E608 T612	E608-V610 VanDerWaalsContact C-N 3.27Å; E608-V610 PolarHBondContact O-N 2.92Å; V610-T612 HydrophobicContact CB-CG2 4.41Å; V610-T612 HydrophobicContact CG1-CG2 4.3Å; V610-T612 PolarHBondContact O-N 3.42Å; V610-T612 PolarHBondContact O-OG1 2.89Å
611	V	40.3	Very low	49.5	Very low	62 Å²	62	96.9 Å²	96.9	38%	0.376	55%	0.548	S	S	.	.			trans	-58.9	88.9	172.7	179.8	0	0	0	0	107.9	D609	D609-V611 PolarHBondContact O-N 3.16Å
612	T	40.8	Very low	51.6	Low	105 Å²	105	92.1 Å²	92.1	64%	0.644	52%	0.516	S	S	*	.			trans	-88.1	116	-175.9	30.7	0	0	0	0	109.2	V610	V610-T612 HydrophobicContact CB-CG2 4.41Å; V610-T612 HydrophobicContact CG1-CG2 4.3Å; V610-T612 PolarHBondContact O-N 3.42Å; V610-T612 PolarHBondContact O-OG1 2.89Å
613	D	49.7	Very low	54.1	Low	143 Å²	143	86.2 Å²	86.2	77%	0.765	49%	0.485	S	S	*	.			trans	66.5	78.2	149.6	-50.5	-13.1	0	0	0	118.1	S615	D613-S615 PolarHBondContact O-N 3.28Å; D613-S615 VanDerWaalsContact O-N 3.16Å
614	L	60	Low	56.7	Low	31 Å²	31	85.1 Å²	85.1	16%	0.162	46%	0.463	C	S	.	.			trans	-59.4	113.7	141.7	-94.5	144.9	0	0	0	107.1	L595 H618 L699 Q703	L595-L614 HydrophobicContact CD1-CB 3.96Å; L595-L614 HydrophobicContact CD1-CD1 3.23Å; L595-L614 HydrophobicContact CD1-CG 4.16Å; L614-H618 HydrophobicContact CD2-CB 3.55Å; L614-L699 HydrophobicContact CD2-CD2 4.4Å; L614-Q703 VanDerWaalsContact CD1-NE2 3.26Å
615	S	65.7	Low	59.2	Low	54 Å²	54	80.4 Å²	80.4	38%	0.378	43%	0.433	S	S	.	.			trans	-54.9	145.2	178.5	59	0	0	0	0	110.9	D613 L617 H618	D613-S615 PolarHBondContact O-N 3.28Å; D613-S615 VanDerWaalsContact O-N 3.16Å; S615-L617 PolarHBondContact O-N 3.32Å; S615-H618 PolarHBondContact N-ND1 2.88Å; S615-H618 PolarHBondContact O-N 2.83Å; S615-H618 PolarHBondContact OG-CE1 3.32Å; S615-H618 PolarHBondContact OG-ND1 3.43Å
616	D	70.8	Confident	61.8	Low	126 Å²	126	71.1 Å²	71.1	67%	0.674	39%	0.39	S	S	*	.	H	α-helix	trans	-48	-27.4	178.7	-70.2	-31.2	0	0	0	113.9	R544 V619 Q620	R544-D616 PolarHBondContact NH1-O 3.22Å; R544-D616 VanDerWaalsContact NH1-O 3.15Å; D616-V619 PolarHBondContact O-N 3.36Å; D616-Q620 WeakPolarHBondContact O-CB 3.48Å; D616-Q620 PolarHBondContact O-N 2.95Å
617	L	76.3	Confident	64.6	Low	64 Å²	64	67 Å²	67	34%	0.335	37%	0.368	S	S	.	.	H	α-helix	trans	-65.5	-39.7	175.5	-169	60.1	0	0	0	113.5	S615 V619 Q620 E621 T725	S615-L617 PolarHBondContact O-N 3.32Å; L617-V619 VanDerWaalsContact C-N 3.33Å; L617-Q620 WeakPolarHBondContact O-CB 3.45Å; L617-Q620 PolarHBondContact O-N 3.45Å; L617-E621 WeakPolarHBondContact O-CG 3.5Å; L617-E621 PolarHBondContact O-N 3.37Å; L617-T725 HydrophobicContact CD2-CG2 3.81Å
618	H	76	Confident	67.1	Low	21 Å²	21	64 Å²	64	10%	0.097	35%	0.352	C	S	.	.	H	α-helix	trans	-69.2	-36.7	176.5	-61.1	115.1	0	0	0	111.1	L614 S615 Q620 E621 L622 R726	L614-H618 HydrophobicContact CD2-CB 3.55Å; S615-H618 PolarHBondContact N-ND1 2.88Å; S615-H618 PolarHBondContact O-N 2.83Å; S615-H618 PolarHBondContact OG-CE1 3.32Å; S615-H618 PolarHBondContact OG-ND1 3.43Å; H618-Q620 VanDerWaalsContact C-N 3.27Å; H618-Q620 PolarHBondContact O-N 3.41Å; H618-E621 PolarHBondContact O-N 2.85Å; H618-L622 PolarHBondContact O-N 3.48Å; H618-R726 PolarHBondContact NE2-O 3.01Å
619	V	78.6	Confident	69.5	Low	21 Å²	21	59.4 Å²	59.4	13%	0.127	33%	0.327	C	S	.	.	H	α-helix	trans	-64.1	-38.5	173.3	-175.8	0	0	0	0	109.8	M592 D616 L617 L622 E623	M592-V619 HydrophobicContact CB-CG1 3.55Å; M592-V619 HydrophobicContact CG-CG1 4.22Å; D616-V619 PolarHBondContact O-N 3.36Å; L617-V619 VanDerWaalsContact C-N 3.33Å; V619-L622 PolarHBondContact O-N 3.25Å; V619-E623 WeakPolarHBondContact O-CB 3.43Å; V619-E623 WeakPolarHBondContact O-CG 3.32Å; V619-E623 PolarHBondContact O-N 3.16Å
620	Q	80.6	Confident	71.8	Confident	104 Å²	104	55.9 Å²	55.9	49%	0.486	31%	0.305	S	S	.	.	H	α-helix	trans	-65.7	-44.1	174	-168.5	178.5	-6.1	0	0	112.7	D616 L617 H618 L622 E623 T624	D616-Q620 WeakPolarHBondContact O-CB 3.48Å; D616-Q620 PolarHBondContact O-N 2.95Å; L617-Q620 WeakPolarHBondContact O-CB 3.45Å; L617-Q620 PolarHBondContact O-N 3.45Å; H618-Q620 VanDerWaalsContact C-N 3.27Å; H618-Q620 PolarHBondContact O-N 3.41Å; Q620-L622 VanDerWaalsContact C-N 3.3Å; Q620-L622 PolarHBondContact O-N 2.73Å; Q620-E623 PolarHBondContact O-N 3.47Å; Q620-T624 VanDerWaalsContact O-CG2 3.29Å; Q620-T624 WeakPolarHBondContact O-CG2 3.27Å; Q620-T624 PolarHBondContact O-N 3.4Å; Q620-T624 PolarHBondContact O-OG1 3.49Å
621	E	81.7	Confident	74	Confident	32 Å²	32	56.7 Å²	56.7	15%	0.15	30%	0.302	C	S	.	.	H	α-helix	trans	-58.6	-43.6	174.3	-72.9	178.5	176.5	0	0	110.9	L617 H618 T624 E625 T725 S727 R728 L730	L617-E621 WeakPolarHBondContact O-CG 3.5Å; L617-E621 PolarHBondContact O-N 3.37Å; H618-E621 PolarHBondContact O-N 2.85Å; E621-T624 WeakPolarHBondContact CA-OG1 3.49Å; E621-T624 PolarHBondContact O-N 2.88Å; E621-T624 PolarHBondContact O-OG1 3.18Å; E621-E625 WeakPolarHBondContact O-CG 3.28Å; E621-E625 PolarHBondContact O-N 3.36Å; E621-T725 PolarHBondContact OE1-OG1 3.23Å; E621-S727 WeakPolarHBondContact OE1-CA 3.49Å; E621-S727 WeakPolarHBondContact OE1-CB 3.35Å; E621-S727 WeakPolarHBondContact OE2-CA 3.33Å; E621-S727 WeakPolarHBondContact OE2-CB 3.34Å; E621-R728 PolarHBondContact OE2-N 2.73Å; E621-L730 HydrophobicContact CB-CD1 3.92Å
622	L	83.1	Confident	75.9	Confident	5 Å²	5	56.1 Å²	56.1	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-63.6	-46.3	176	-172.5	147	0	0	0	112.4	M592 H618 V619 Q620 T624 E625 V626 C695 I696 L699 L730	M592-L622 HydrophobicContact CE-CD2 4.4Å; M592-L622 HydrophobicContact CG-CD2 3.72Å; M592-L622 HydrophobicContact SD-CD2 3.85Å; H618-L622 PolarHBondContact O-N 3.48Å; V619-L622 PolarHBondContact O-N 3.25Å; Q620-L622 VanDerWaalsContact C-N 3.3Å; Q620-L622 PolarHBondContact O-N 2.73Å; L622-T624 VanDerWaalsContact C-N 3.29Å; L622-T624 PolarHBondContact O-N 3.48Å; L622-E625 PolarHBondContact O-N 3.04Å; L622-V626 HydrophobicContact CD2-CG2 4.29Å; L622-V626 WeakPolarHBondContact O-CG2 3.42Å; L622-V626 PolarHBondContact O-N 2.7Å; L622-V626 VanDerWaalsContact O-N 3.1Å; L622-C695 HydrophobicContact CD1-CB 3.65Å; L622-C695 HydrophobicContact CG-CB 3.98Å; L622-I696 HydrophobicContact CD1-CG1 3.93Å; L622-L699 HydrophobicContact CD1-CD1 3.52Å; L622-L730 HydrophobicContact CB-CD1 4.34Å
623	E	84.6	Confident	77.4	Confident	10 Å²	10	51.6 Å²	51.6	5%	0.047	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-37.7	175.5	-76.5	177.6	177.3	0	0	111.9	R544 M592 V619 Q620 V626 N627	R544-E623 WeakPolarHBondContact CD-OE1 3.39Å; R544-E623 IonicContact CZ-OE1 3.39Å; R544-E623 IonicContact CZ-OE2 3.67Å; R544-E623 VanDerWaalsContact CZ-OE2 3.24Å; R544-E623 IonicContact NE-OE1 3.82Å; R544-E623 PolarHBondContact NE-OE1 3.32Å; R544-E623 IonicContact NE-OE2 2.85Å; R544-E623 PolarHBondContact NE-OE2 2.92Å; R544-E623 VanDerWaalsContact NH2-CD 3.34Å; R544-E623 IonicContact NH2-OE1 2.78Å; R544-E623 IonicContact NH2-OE2 3.48Å; R544-E623 PolarHBondContact NH2-OE2 2.9Å; M592-E623 HydrophobicContact CB-CG 4.5Å; M592-E623 HydrophobicContact CG-CG 3.99Å; M592-E623 PolarHBondContact N-OE1 3.45Å; V619-E623 WeakPolarHBondContact O-CB 3.43Å; V619-E623 WeakPolarHBondContact O-CG 3.32Å; V619-E623 PolarHBondContact O-N 3.16Å; Q620-E623 PolarHBondContact O-N 3.47Å; E623-V626 PolarHBondContact O-N 3.07Å; E623-N627 WeakPolarHBondContact O-CB 3.36Å; E623-N627 VanDerWaalsContact O-CG 3.28Å; E623-N627 PolarHBondContact O-N 3.47Å; E623-N627 PolarHBondContact O-ND2 3.32Å
624	T	84.4	Confident	78.5	Confident	54 Å²	54	46.6 Å²	46.6	33%	0.331	24%	0.238	S	C	.	.	H	α-helix	trans	-65.8	-38.9	175.4	55.7	0	0	0	0	112	Q620 E621 L622 V626 C628	Q620-T624 VanDerWaalsContact O-CG2 3.29Å; Q620-T624 WeakPolarHBondContact O-CG2 3.27Å; Q620-T624 PolarHBondContact O-N 3.4Å; Q620-T624 PolarHBondContact O-OG1 3.49Å; E621-T624 WeakPolarHBondContact CA-OG1 3.49Å; E621-T624 PolarHBondContact O-N 2.88Å; E621-T624 PolarHBondContact O-OG1 3.18Å; L622-T624 VanDerWaalsContact C-N 3.29Å; L622-T624 PolarHBondContact O-N 3.48Å; T624-V626 VanDerWaalsContact C-N 3.32Å; T624-V626 PolarHBondContact O-N 2.87Å; T624-C628 WeakPolarHBondContact O-CB 3.47Å; T624-C628 PolarHBondContact O-N 3.49Å
625	E	84.3	Confident	78.5	Confident	8 Å²	8	48.6 Å²	48.6	4%	0.037	25%	0.252	C	S	.	.	H	α-helix	trans	-65.1	-36.1	177.7	-78.1	-66.8	148.6	0	0	113.1	E621 L622 R691 L730 R742	E621-E625 WeakPolarHBondContact O-CG 3.28Å; E621-E625 PolarHBondContact O-N 3.36Å; L622-E625 PolarHBondContact O-N 3.04Å; E625-R691 PolarHBondContact O-NH1 3.47Å; E625-L730 HydrophobicContact CG-CB 3.85Å; E625-L730 HydrophobicContact CG-CD1 4.2Å; E625-R742 VanDerWaalsContact OE1-CB 3.3Å; E625-R742 WeakPolarHBondContact OE1-CB 3.38Å; E625-R742 WeakPolarHBondContact OE1-CD 3.49Å; E625-R742 VanDerWaalsContact OE1-CG 3.3Å; E625-R742 WeakPolarHBondContact OE1-CG 3.16Å
626	V	84.9	Confident	77.8	Confident	2 Å²	2	49 Å²	49	1%	0.012	26%	0.255	C	S	.	.	H	α-helix	trans	-82.9	-43.9	-179.7	176.7	0	0	0	0	111.9	L590 L622 E623 T624 Q688 R691 C692	L590-V626 HydrophobicContact CB-CG1 4.05Å; L590-V626 HydrophobicContact CD1-CG1 3.86Å; L590-V626 HydrophobicContact CD2-CG1 3.98Å; L590-V626 HydrophobicContact CG-CG1 4.17Å; L622-V626 HydrophobicContact CD2-CG2 4.29Å; L622-V626 WeakPolarHBondContact O-CG2 3.42Å; L622-V626 PolarHBondContact O-N 2.7Å; L622-V626 VanDerWaalsContact O-N 3.1Å; E623-V626 PolarHBondContact O-N 3.07Å; T624-V626 VanDerWaalsContact C-N 3.32Å; T624-V626 PolarHBondContact O-N 2.87Å; V626-Q688 HydrophobicContact CG1-CB 4.01Å; V626-Q688 HydrophobicContact CG1-CG 4.28Å; V626-Q688 PolarHBondContact O-NE2 2.9Å; V626-R691 HydrophobicContact CG2-CG 4.49Å; V626-C692 HydrophobicContact CG2-CB 4.03Å
627	N	86.3	Confident	76.6	Confident	24 Å²	24	46.7 Å²	46.7	13%	0.128	25%	0.249	C	C	.	.	H	α-helix	trans	-87.5	-29.9	-172.2	-64.7	-35.8	0	0	0	113.7	L589 L590 E623 W630	L589-N627 HydrophobicContact CD1-CB 4.11Å; L590-N627 PolarHBondContact N-OD1 3.07Å; L590-N627 PolarHBondContact O-ND2 2.84Å; E623-N627 WeakPolarHBondContact O-CB 3.36Å; E623-N627 VanDerWaalsContact O-CG 3.28Å; E623-N627 PolarHBondContact O-N 3.47Å; E623-N627 PolarHBondContact O-ND2 3.32Å; N627-W630 VanDerWaalsContact O-CD1 3.28Å
628	C	83.9	Confident	74.6	Confident	76 Å²	76	50.4 Å²	50.4	51%	0.514	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-37.2	-177.3	-59.1	0	0	0	0	112.9	T624	T624-C628 WeakPolarHBondContact O-CB 3.47Å; T624-C628 PolarHBondContact O-N 3.49Å
629	Y	82.1	Confident	72.6	Confident	80 Å²	80	54.9 Å²	54.9	31%	0.314	29%	0.29	S	S	.	.	S	Bend	trans	-101.4	21.5	-170.9	-57.6	-55.2	0	0	0	114.8	Q631 E632 R691 R742	Y629-Q631 PolarHBondContact O-N 3.47Å; Y629-E632 PolarHBondContact O-N 2.89Å; Y629-R691 VanDerWaalsContact C-NH1 3.3Å; Y629-R691 PolarHBondContact O-NH1 3.17Å; Y629-R742 HydrophobicContact CE2-CG 4Å
630	W	79.3	Confident	70.4	Confident	52 Å²	52	61.2 Å²	61.2	20%	0.197	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-61.3	-26.3	178.4	62.9	-93.3	0	0	0	113.4	A587 N627 E632 F633 F634 I684 Q688	A587-W630 HydrophobicContact CB-CD2 3.82Å; A587-W630 HydrophobicContact CB-CG 3.98Å; A587-W630 HydrophobicContact CB-CZ2 4Å; N627-W630 VanDerWaalsContact O-CD1 3.28Å; W630-E632 PolarHBondContact O-N 3.3Å; W630-F633 WeakPolarHBondContact O-CD2 3.45Å; W630-F633 PolarHBondContact O-N 2.72Å; W630-F634 HydrophobicContact CE3-CD2 4.09Å; W630-F634 AromaticContact CE3-CE2 3.93Å; W630-F634 HydrophobicContact CE3-CE2 3.93Å; W630-F634 HydrophobicContact CZ3-CD2 4.18Å; W630-F634 HydrophobicContact CZ3-CE2 4.22Å; W630-I684 HydrophobicContact CD2-CG2 4.43Å; W630-I684 HydrophobicContact CE3-CD1 4.42Å; W630-I684 HydrophobicContact CE3-CG2 4.1Å; W630-I684 HydrophobicContact CZ3-CD1 4.05Å; W630-Q688 HydrophobicContact CB-CG 4.09Å
631	Q	80.4	Confident	68.2	Low	117 Å²	117	63.2 Å²	63.2	55%	0.547	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-62.1	-25.6	-179.8	-66.7	178.8	-16.5	0	0	113.2	Y629 F633 F634 T635	Y629-Q631 PolarHBondContact O-N 3.47Å; Q631-F633 PolarHBondContact O-N 2.73Å; Q631-F633 VanDerWaalsContact O-N 3.1Å; Q631-F634 PolarHBondContact O-N 3.36Å; Q631-T635 PolarHBondContact O-N 3.43Å
632	E	79.9	Confident	65.6	Low	50 Å²	50	68.2 Å²	68.2	23%	0.234	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-60.9	-21.2	179.5	-63.7	-174.6	169.8	0	0	112.9	Y629 W630 F634 T635 R742	Y629-E632 PolarHBondContact O-N 2.89Å; W630-E632 PolarHBondContact O-N 3.3Å; E632-F634 VanDerWaalsContact C-N 3.25Å; E632-F634 PolarHBondContact O-N 2.88Å; E632-T635 PolarHBondContact O-OG1 3.05Å; E632-R742 IonicContact OE1-CZ 2.63Å; E632-R742 IonicContact OE1-NH1 3.92Å; E632-R742 PolarHBondContact OE1-NH1 3.24Å; E632-R742 IonicContact OE1-NH2 2.82Å; E632-R742 PolarHBondContact OE1-NH2 3.2Å; E632-R742 IonicContact OE2-NH1 3.43Å
633	F	72.1	Confident	63	Low	10 Å²	10	72.3 Å²	72.3	4%	0.044	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-71	-18.4	174.1	-73.7	-67.9	0	0	0	114.1	L519 V520 W630 Q631 C687 R691	L519-F633 HydrophobicContact CB-CD1 4.11Å; L519-F633 HydrophobicContact CB-CE1 3.89Å; L519-F633 HydrophobicContact CD1-CD1 3.76Å; L519-F633 HydrophobicContact CD1-CE1 4.39Å; V520-F633 HydrophobicContact CG2-CE1 4.25Å; W630-F633 WeakPolarHBondContact O-CD2 3.45Å; W630-F633 PolarHBondContact O-N 2.72Å; Q631-F633 PolarHBondContact O-N 2.73Å; Q631-F633 VanDerWaalsContact O-N 3.1Å; F633-C687 HydrophobicContact CB-CB 4.43Å; F633-C687 HydrophobicContact CD1-CB 4.2Å; F633-C687 HydrophobicContact CD2-CB 3.65Å; F633-C687 HydrophobicContact CE1-CB 4.34Å; F633-C687 HydrophobicContact CE2-CB 3.77Å; F633-C687 WeakPolarHBondContact CE2-O 3.4Å; F633-C687 HydrophobicContact CG-CB 3.85Å; F633-C687 HydrophobicContact CZ-CB 4.12Å; F633-C687 WeakPolarHBondContact CZ-O 3.47Å; F633-R691 HydrophobicContact CE2-CB 4.16Å; F633-R691 HydrophobicContact CZ-CB 3.97Å; F633-R691 VanDerWaalsContact CZ-NE 3.31Å; F633-R691 VanDerWaalsContact CZ-NH2 3.35Å
634	F	72.6	Confident	60.2	Low	38 Å²	38	80.2 Å²	80.2	17%	0.167	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-14.4	-172.7	-55.3	-71.4	0	0	0	113.2	W630 Q631 E632 S636 S637 W680 I684	W630-F634 HydrophobicContact CE3-CD2 4.09Å; W630-F634 AromaticContact CE3-CE2 3.93Å; W630-F634 HydrophobicContact CE3-CE2 3.93Å; W630-F634 HydrophobicContact CZ3-CD2 4.18Å; W630-F634 HydrophobicContact CZ3-CE2 4.22Å; Q631-F634 PolarHBondContact O-N 3.36Å; E632-F634 VanDerWaalsContact C-N 3.25Å; E632-F634 PolarHBondContact O-N 2.88Å; F634-S636 VanDerWaalsContact C-N 3.27Å; F634-S636 PolarHBondContact O-N 3.27Å; F634-S637 PolarHBondContact O-N 2.78Å; F634-W680 WeakPolarHBondContact CE1-O 3.18Å; F634-I684 HydrophobicContact CE2-CG1 3.78Å; F634-I684 HydrophobicContact CZ-CB 4.38Å; F634-I684 HydrophobicContact CZ-CG1 3.64Å
635	T	61.3	Low	57.5	Low	73 Å²	73	84.1 Å²	84.1	45%	0.448	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-64.8	-24.5	-176.8	44.9	0	0	0	0	114.4	Q631 E632 S637 M638	Q631-T635 PolarHBondContact O-N 3.43Å; E632-T635 PolarHBondContact O-OG1 3.05Å; T635-S637 PolarHBondContact O-N 3.02Å; T635-M638 PolarHBondContact O-N 3.36Å
636	S	50	Low	54.8	Low	62 Å²	62	90.2 Å²	90.2	43%	0.434	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-66.6	-25.9	178.1	-54.6	0	0	0	0	112.8	F634	F634-S636 VanDerWaalsContact C-N 3.27Å; F634-S636 PolarHBondContact O-N 3.27Å
637	S	45.7	Very low	52.2	Low	78 Å²	78	96.2 Å²	96.2	55%	0.545	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-77.3	-24.8	-179	152.6	0	0	0	0	113.5	F634 T635	F634-S637 PolarHBondContact O-N 2.78Å; T635-S637 PolarHBondContact O-N 3.02Å
638	M	34.7	Very low	49.5	Very low	142 Å²	142	102.6 Å²	102.6	70%	0.7	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-27.5	-176.5	-98.7	135.4	165.1	0	0	113.3	T635 Q640	T635-M638 PolarHBondContact O-N 3.36Å; M638-Q640 VanDerWaalsContact C-N 3.35Å; M638-Q640 PolarHBondContact O-N 3.23Å
639	N	34.3	Very low	46.7	Very low	114 Å²	114	107.8 Å²	107.8	61%	0.61	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-0.8	-172.1	-74.2	-15	0	0	0	115.4	N641 S643	N639-N641 VanDerWaalsContact C-N 3.34Å; N639-S643 PolarHBondContact O-OG 3.37Å
640	Q	33.3	Very low	44.4	Very low	154 Å²	154	111 Å²	111	72%	0.72	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-12.6	175.7	-70.8	-169.7	13.5	0	0	113.9	M638	M638-Q640 VanDerWaalsContact C-N 3.35Å; M638-Q640 PolarHBondContact O-N 3.23Å
641	N	32.6	Very low	41.9	Very low	147 Å²	147	111.5 Å²	111.5	79%	0.786	62%	0.623	S	S	*	*	S	Bend	trans	-109.7	-12.8	-178.9	-72.6	-14.2	0	0	0	115.5	N639	N639-N641 VanDerWaalsContact C-N 3.34Å
642	D	28.4	Very low	39.5	Very low	137 Å²	137	113.7 Å²	113.7	73%	0.733	64%	0.639	S	S	*	*			trans	-132.6	34.2	-176.1	-75.9	-35.9	0	0	0	114.3	H644	D642-H644 VanDerWaalsContact C-N 3.34Å; D642-H644 PolarHBondContact O-N 3.41Å
643	S	27.4	Very low	37.1	Very low	91 Å²	91	116.7 Å²	116.7	64%	0.636	66%	0.661	S	S	*	*			trans	-90.8	60	176.3	49.8	0	0	0	0	113.5	N639	N639-S643 PolarHBondContact O-OG 3.37Å
644	H	26.3	Very low	35.2	Very low	176 Å²	176	122.5 Å²	122.5	82%	0.815	69%	0.692	S	S	*	*	S	Bend	trans	-141.6	122.4	151.1	-84.2	-62.9	0	0	0	107.7	D642	D642-H644 VanDerWaalsContact C-N 3.34Å; D642-H644 PolarHBondContact O-N 3.41Å
645	T	27.4	Very low	33.2	Very low	135 Å²	135	127.2 Å²	127.2	83%	0.828	72%	0.719	S	S	*	*			trans	79.5	128.3	-174.6	71.7	0	0	0	0	113.3
646	V	28.5	Very low	31.9	Very low	137 Å²	137	131.5 Å²	131.5	83%	0.83	74%	0.738	S	S	*	*			cis	-146.4	146.7	33.3	170.2	0	0	0	0	110.7
647	V	29.7	Very low	31	Very low	127 Å²	127	134.5 Å²	134.5	77%	0.77	75%	0.754	S	S	*	*			trans	-67.9	140.8	-179.6	169.1	0	0	0	0	112.9	H649	V647-H649 PolarHBondContact O-N 3.24Å
648	N	29.3	Very low	30.4	Very low	159 Å²	159	135.8 Å²	135.8	85%	0.85	76%	0.762	S	S	*	*			trans	-58.6	114.2	163.8	-79.2	-32.9	0	0	0	111	V650	N648-V650 PolarHBondContact O-N 3.22Å
649	H	26.4	Very low	30.2	Very low	184 Å²	184	136.1 Å²	136.1	85%	0.852	77%	0.767	S	S	*	*			trans	-69.1	110.1	162	-96	-64.7	0	0	0	110.4	V647	V647-H649 PolarHBondContact O-N 3.24Å
650	V	32	Very low	30.1	Very low	147 Å²	147	138.8 Å²	138.8	89%	0.891	78%	0.781	S	S	*	*			trans	-152.5	114.2	139.3	-177	0	0	0	0	108.8	N648	N648-V650 PolarHBondContact O-N 3.22Å
651	G	27.7	Very low	29.8	Very low	63 Å²	63	140.1 Å²	140.1	65%	0.649	79%	0.79	S	S	*	*			trans	80.4	92.2	153.9	0	0	0	0	0	118.3
652	N	30.7	Very low	29.8	Very low	164 Å²	164	139.8 Å²	139.8	88%	0.877	79%	0.793	S	S	*	*				-178.9	130.2	112.4	-98.2	-9.8	0	0	0	112.7
653	T	28.5	Very low	29.7	Very low	113 Å²	113	140.8 Å²	140.8	69%	0.693	80%	0.798	S	S	*	*			trans	-36	126.8	163.6	52.9	0	0	0	0	115.9
654	N	32.4	Very low	29.8	Very low	132 Å²	132	141.7 Å²	141.7	71%	0.706	81%	0.805	S	S	*	*				150.6	122.6	120.1	-76.5	-17.3	0	0	0	112.1
655	D	30.2	Very low	29.7	Very low	137 Å²	137	141.2 Å²	141.2	73%	0.733	81%	0.808	S	S	*	*			trans	51.5	109.8	139	-51	-27.6	0	0	0	118.7
656	I	34.2	Very low	29.8	Very low	162 Å²	162	143.9 Å²	143.9	83%	0.831	81%	0.808	S	S	*	*				-179.1	122.2	100.2	-83	151.1	0	0	0	108.8
657	T	31	Very low	29.7	Very low	126 Å²	126	142.3 Å²	142.3	77%	0.773	80%	0.803	S	S	*	*			trans	-47.8	133.1	168	48	0	0	0	0	114.7
658	S	34.5	Very low	29.4	Very low	104 Å²	104	146 Å²	146	73%	0.727	81%	0.809	S	S	*	*				170.8	112.5	114.9	58.6	0	0	0	0	112.5
659	N	29.5	Very low	29.2	Very low	150 Å²	150	147.6 Å²	147.6	80%	0.802	81%	0.805	S	S	*	*			trans	42.1	107.6	135.5	-59.2	-13	0	0	0	119.5
660	N	31.7	Very low	29.1	Very low	170 Å²	170	144.1 Å²	144.1	91%	0.909	80%	0.801	S	S	*	*				-158.9	113.9	120.5	-95.3	-24.2	0	0	0	111.1
661	M	28.1	Very low	28.9	Very low	181 Å²	181	140.9 Å²	140.9	89%	0.892	80%	0.797	S	S	*	*			trans	-66.9	123.3	170.2	-73.3	156.4	60.6	0	0	110.4
662	V	32.5	Very low	28.7	Very low	140 Å²	140	142.2 Å²	142.2	85%	0.848	80%	0.797	S	S	*	*			trans	-149.1	123.1	135.7	-179.3	0	0	0	0	107.8	S664	V662-S664 PolarHBondContact O-N 3.33Å
663	N	26.5	Very low	28.6	Very low	158 Å²	158	140 Å²	140	85%	0.845	79%	0.791	S	S	*	*			trans	-46.2	122.5	-179.1	-65.4	-27.6	0	0	0	114.2
664	S	28.5	Very low	28.6	Very low	111 Å²	111	139 Å²	139	78%	0.776	79%	0.788	S	S	*	*			trans	-129.2	61.3	165.4	66.4	0	0	0	0	110.4	V662 K666	V662-S664 PolarHBondContact O-N 3.33Å; S664-K666 PolarHBondContact O-N 3.32Å
665	D	25.2	Very low	28.5	Very low	165 Å²	165	138.9 Å²	138.9	88%	0.882	79%	0.791	S	S	*	*			trans	-86.6	84.3	156.7	-78.8	-27.8	0	0	0	107.6
666	K	28.5	Very low	28.5	Very low	192 Å²	192	135.5 Å²	135.5	84%	0.835	79%	0.789	S	S	*	*			trans	-126.8	97.3	160.7	-88.6	-173	177.4	-179.6	0	108.2	S664	S664-K666 PolarHBondContact O-N 3.32Å
667	S	25.9	Very low	28.9	Very low	104 Å²	104	131.9 Å²	131.9	73%	0.727	77%	0.771	S	S	*	*			trans	-37.9	130.4	165.2	46.3	0	0	0	0	112.7	Y669	S667-Y669 PolarHBondContact O-N 3.21Å
668	F	24	Very low	29.8	Very low	205 Å²	205	129 Å²	129	90%	0.899	76%	0.756	S	S	*	*	S	Bend	trans	-57.8	61.3	170.1	-93.7	-100.9	0	0	0	113.2
669	Y	25	Very low	30.7	Very low	192 Å²	192	126.8 Å²	126.8	75%	0.753	73%	0.733	S	S	*	*			trans	-155.2	82.4	169.8	-80.7	-76.1	0	0	0	109.6	S667	S667-Y669 PolarHBondContact O-N 3.21Å
670	S	24.5	Very low	32	Very low	111 Å²	111	124.4 Å²	124.4	78%	0.776	71%	0.713	S	S	*	*			trans	-145.2	81.3	164	66.3	0	0	0	0	109.3	S672	S670-S672 PolarHBondContact O-N 2.74Å
671	G	26.9	Very low	33.4	Very low	78 Å²	78	117.3 Å²	117.3	80%	0.804	68%	0.677	S	S	*	*			trans	-80.1	93.9	170.1	0	0	0	0	0	109.6
672	S	25.3	Very low	35.2	Very low	92 Å²	92	110.2 Å²	110.2	64%	0.643	64%	0.64	S	S	*	*			trans	-54.9	143.1	163.8	-74.9	0	0	0	0	109.9	S670 C674	S670-S672 PolarHBondContact O-N 2.74Å; S672-C674 PolarHBondContact O-N 3.42Å; S672-C674 PolarHBondContact O-SG 3.15Å
673	P	27.6	Very low	37.3	Very low	117 Å²	117	104 Å²	104	76%	0.76	60%	0.602	S	S	*	*			trans	-74	95.7	176.8	29.5	-30.2	0	0	0	108.8	V675	P673-V675 PolarHBondContact O-N 3.38Å; P673-V675 VanDerWaalsContact O-N 3.13Å
674	C	29	Very low	40	Very low	92 Å²	92	96.7 Å²	96.7	62%	0.622	56%	0.563	S	S	*	*			trans	-74.1	99.6	-176.3	-47.9	0	0	0	0	110.9	S672 G676	S672-C674 PolarHBondContact O-N 3.42Å; S672-C674 PolarHBondContact O-SG 3.15Å; C674-G676 PolarHBondContact O-N 3.01Å
675	V	30	Very low	42.7	Very low	129 Å²	129	91.4 Å²	91.4	78%	0.782	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	45.5	168.6	-175.3	0	0	0	0	111.1	K486 P673	K486-V675 HydrophobicContact CD-CG2 4.41Å; P673-V675 PolarHBondContact O-N 3.38Å; P673-V675 VanDerWaalsContact O-N 3.13Å
676	G	29.2	Very low	45.5	Very low	66 Å²	66	83.5 Å²	83.5	68%	0.68	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-154	21.5	-168.5	0	0	0	0	0	115.4	C674 S678	C674-G676 PolarHBondContact O-N 3.01Å; G676-S678 PolarHBondContact O-N 3.32Å
677	L	43.3	Very low	48.2	Very low	87 Å²	87	74.4 Å²	74.4	46%	0.455	44%	0.444	S	S	.	.			trans	-80.4	116.3	178.5	-85.9	157.4	0	0	0	110.4	S681 R682	L677-S681 VanDerWaalsContact CB-OG 3.3Å; L677-S681 WeakPolarHBondContact CB-OG 3.47Å; L677-S681 WeakPolarHBondContact CD2-OG 3.5Å; L677-R682 PolarHBondContact O-NH2 3.21Å
678	S	50.2	Low	51	Low	65 Å²	65	69.5 Å²	69.5	46%	0.455	41%	0.41	S	S	.	.			trans	-56.6	152.8	-178.5	65	0	0	0	0	111.9	G676 W680 S681	G676-S678 PolarHBondContact O-N 3.32Å; S678-W680 PolarHBondContact O-N 3.47Å; S678-S681 PolarHBondContact N-OG 3.04Å; S678-S681 WeakPolarHBondContact O-CB 3.28Å; S678-S681 PolarHBondContact O-N 3.41Å; S678-S681 PolarHBondContact O-OG 3.34Å
679	K	54.2	Low	54	Low	58 Å²	58	59.7 Å²	59.7	25%	0.252	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-42.4	-38.2	179.3	-179.9	173.2	-179	167.7	0	113.3	Y497	Y497-K679 HydrophobicContact CE1-CG 4.01Å
680	W	55.8	Low	56.8	Low	99 Å²	99	50.8 Å²	50.8	38%	0.375	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-79.9	-21.8	-174.4	-57.6	106.6	0	0	0	114.7	S513 Q516 F634 S678 R682	S513-W680 VanDerWaalsContact CA-CZ3 3.42Å; S513-W680 VanDerWaalsContact N-CZ3 3.28Å; Q516-W680 PolarHBondContact NE2-O 2.85Å; Q516-W680 VanDerWaalsContact NE2-O 3.15Å; F634-W680 WeakPolarHBondContact CE1-O 3.18Å; S678-W680 PolarHBondContact O-N 3.47Å; W680-R682 PolarHBondContact O-N 3.12Å
681	S	60.8	Low	59.7	Low	21 Å²	21	46.8 Å²	46.8	15%	0.147	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-69.5	-11.1	175.2	65.1	0	0	0	0	113.6	L677 S678	L677-S681 VanDerWaalsContact CB-OG 3.3Å; L677-S681 WeakPolarHBondContact CB-OG 3.47Å; L677-S681 WeakPolarHBondContact CD2-OG 3.5Å; S678-S681 PolarHBondContact N-OG 3.04Å; S678-S681 WeakPolarHBondContact O-CB 3.28Å; S678-S681 PolarHBondContact O-N 3.41Å; S678-S681 PolarHBondContact O-OG 3.34Å
682	R	66.6	Low	62.5	Low	33 Å²	33	43 Å²	43	13%	0.125	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-100.8	-1.2	-176.5	-55.6	-175.9	-165.9	-154.8	8.4	114.1	D494 Y497 Y583 L677 W680 I684	D494-R682 IonicContact OD1-CZ 3.12Å; D494-R682 IonicContact OD1-NE 2.67Å; D494-R682 IonicContact OD1-NH1 3.38Å; D494-R682 PolarHBondContact OD1-NH1 3.21Å; Y497-R682 VanDerWaalsContact CD2-CD 3.48Å; Y583-R682 PolarHBondContact OH-O 2.95Å; L677-R682 PolarHBondContact O-NH2 3.21Å; W680-R682 PolarHBondContact O-N 3.12Å; R682-I684 VanDerWaalsContact C-N 3.31Å; R682-I684 PolarHBondContact O-N 3Å
683	N	77.1	Confident	65.3	Low	8 Å²	8	38.9 Å²	38.9	4%	0.043	23%	0.233	C	C	.	.			trans	-93.3	48.2	-179.8	-67.5	1.6	0	0	0	111.4	M511 S686 C687	M511-N683 PolarHBondContact O-ND2 3.47Å; N683-S686 PolarHBondContact O-OG 3.27Å; N683-C687 WeakPolarHBondContact O-CB 3.36Å; N683-C687 PolarHBondContact O-N 2.85Å; N683-C687 PolarHBondContact O-SG 3.24Å
684	I	83.2	Confident	67.9	Low	5 Å²	5	33.6 Å²	33.6	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-69.9	-41.7	-175.4	-58.5	172.6	0	0	0	110	Y583 P584 A587 W630 F634 R682 C687 Q688	Y583-I684 HydrophobicContact CE2-CB 3.92Å; Y583-I684 HydrophobicContact CE2-CD1 4.41Å; Y583-I684 PolarHBondContact OH-N 3.1Å; Y583-I684 VanDerWaalsContact OH-N 3.14Å; P584-I684 HydrophobicContact CB-CD1 3.8Å; P584-I684 WeakPolarHBondContact O-CD1 3.44Å; A587-I684 HydrophobicContact CB-CG2 4.11Å; W630-I684 HydrophobicContact CD2-CG2 4.43Å; W630-I684 HydrophobicContact CE3-CD1 4.42Å; W630-I684 HydrophobicContact CE3-CG2 4.1Å; W630-I684 HydrophobicContact CZ3-CD1 4.05Å; F634-I684 HydrophobicContact CE2-CG1 3.78Å; F634-I684 HydrophobicContact CZ-CB 4.38Å; F634-I684 HydrophobicContact CZ-CG1 3.64Å; R682-I684 VanDerWaalsContact C-N 3.31Å; R682-I684 PolarHBondContact O-N 3Å; I684-C687 PolarHBondContact O-N 3.4Å; I684-Q688 HydrophobicContact CG2-CG 4.4Å; I684-Q688 WeakPolarHBondContact O-CG 3.07Å; I684-Q688 PolarHBondContact O-N 2.9Å
685	L	84.9	Confident	70.3	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65	-46.4	-176.5	174.9	64.7	0	0	0	111.8	E501 L502 I505 W531 V577 I579 Y583 P588 C687 Q688 L689	E501-L685 WeakPolarHBondContact OE1-CB 3.4Å; E501-L685 PolarHBondContact OE1-N 2.78Å; L502-L685 HydrophobicContact CD2-CD2 3.99Å; I505-L685 HydrophobicContact CD1-CD2 3.69Å; I505-L685 HydrophobicContact CD1-CG 4.07Å; W531-L685 HydrophobicContact CH2-CD2 4.24Å; V577-L685 HydrophobicContact CG1-CD1 3.46Å; V577-L685 VanDerWaalsContact CG1-CD1 3.46Å; I579-L685 HydrophobicContact CD1-CD2 3.79Å; Y583-L685 PolarHBondContact OH-N 3.25Å; P588-L685 HydrophobicContact CB-CD1 4.15Å; P588-L685 HydrophobicContact CG-CB 4.04Å; P588-L685 HydrophobicContact CG-CD1 4Å; L685-C687 VanDerWaalsContact C-N 3.3Å; L685-C687 PolarHBondContact O-N 3.39Å; L685-Q688 PolarHBondContact O-N 3.39Å; L685-L689 HydrophobicContact CD1-CD1 4.05Å; L685-L689 HydrophobicContact CD1-CG 4.13Å; L685-L689 HydrophobicContact CG-CD1 4Å; L685-L689 HydrophobicContact CG-CG 4.47Å; L685-L689 WeakPolarHBondContact O-CB 3.43Å; L685-L689 WeakPolarHBondContact O-CG 3.33Å; L685-L689 PolarHBondContact O-N 2.94Å
686	S	84.2	Confident	72.7	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.8	-38.5	178.5	70.2	0	0	0	0	111.4	E501 M511 N683 L689 A690	E501-S686 VanDerWaalsContact OE1-CB 3.28Å; E501-S686 WeakPolarHBondContact OE1-CB 3.41Å; E501-S686 PolarHBondContact OE1-N 3.15Å; E501-S686 PolarHBondContact OE1-OG 3.5Å; M511-S686 PolarHBondContact O-OG 2.85Å; N683-S686 PolarHBondContact O-OG 3.27Å; S686-L689 PolarHBondContact O-N 3.41Å; S686-A690 VanDerWaalsContact O-CB 3.29Å; S686-A690 WeakPolarHBondContact O-CB 3.44Å; S686-A690 PolarHBondContact O-N 3.23Å
687	C	84.1	Confident	75	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.4	-44.3	174.7	-68.6	0	0	0	0	112.1	L512 Q516 F633 N683 I684 L685 A690 R691	L512-C687 HydrophobicContact CD2-CB 4.38Å; Q516-C687 VanDerWaalsContact CD-SG 3.53Å; F633-C687 HydrophobicContact CB-CB 4.43Å; F633-C687 HydrophobicContact CD1-CB 4.2Å; F633-C687 HydrophobicContact CD2-CB 3.65Å; F633-C687 HydrophobicContact CE1-CB 4.34Å; F633-C687 HydrophobicContact CE2-CB 3.77Å; F633-C687 WeakPolarHBondContact CE2-O 3.4Å; F633-C687 HydrophobicContact CG-CB 3.85Å; F633-C687 HydrophobicContact CZ-CB 4.12Å; F633-C687 WeakPolarHBondContact CZ-O 3.47Å; N683-C687 WeakPolarHBondContact O-CB 3.36Å; N683-C687 PolarHBondContact O-N 2.85Å; N683-C687 PolarHBondContact O-SG 3.24Å; I684-C687 PolarHBondContact O-N 3.4Å; L685-C687 VanDerWaalsContact C-N 3.3Å; L685-C687 PolarHBondContact O-N 3.39Å; C687-A690 PolarHBondContact O-N 2.94Å; C687-R691 WeakPolarHBondContact O-CB 3.38Å; C687-R691 PolarHBondContact O-N 3.34Å
688	Q	86.3	Confident	76.6	Confident	1 Å²	1	17 Å²	17	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-64.4	-43.1	176.2	-77.2	-178.8	-41.5	0	0	112.1	P588 L590 V626 W630 I684 L685 R691 C692	P588-Q688 PolarHBondContact O-NE2 3.45Å; P588-Q688 PolarHBondContact O-OE1 3.41Å; L590-Q688 HydrophobicContact CD1-CB 3.83Å; L590-Q688 HydrophobicContact CD1-CG 4.27Å; L590-Q688 VanDerWaalsContact CD1-OE1 3.27Å; L590-Q688 HydrophobicContact CD2-CB 4.42Å; V626-Q688 HydrophobicContact CG1-CB 4.01Å; V626-Q688 HydrophobicContact CG1-CG 4.28Å; V626-Q688 PolarHBondContact O-NE2 2.9Å; W630-Q688 HydrophobicContact CB-CG 4.09Å; I684-Q688 HydrophobicContact CG2-CG 4.4Å; I684-Q688 WeakPolarHBondContact O-CG 3.07Å; I684-Q688 PolarHBondContact O-N 2.9Å; L685-Q688 PolarHBondContact O-N 3.39Å; Q688-R691 PolarHBondContact O-N 2.91Å; Q688-C692 VanDerWaalsContact O-CB 3.27Å; Q688-C692 WeakPolarHBondContact O-CB 3.38Å; Q688-C692 PolarHBondContact O-N 3.29Å
689	L	86.1	Confident	77.8	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64.7	-40.7	176.8	-72.5	173	0	0	0	111.8	I505 L510 I528 W531 C563 F565 V577 L590 L685 S686 C692 A693	I505-L689 HydrophobicContact CD1-CD1 3.93Å; I505-L689 HydrophobicContact CG1-CD1 4.42Å; I505-L689 HydrophobicContact CG2-CD1 4.46Å; L510-L689 HydrophobicContact CD1-CB 4.49Å; L510-L689 HydrophobicContact CD2-CB 4Å; L510-L689 HydrophobicContact CD2-CD1 4.22Å; I528-L689 HydrophobicContact CD1-CD1 4.36Å; W531-L689 HydrophobicContact CH2-CD1 4.47Å; W531-L689 HydrophobicContact CZ3-CD1 3.97Å; C563-L689 HydrophobicContact CB-CD2 4.49Å; F565-L689 HydrophobicContact CE2-CD2 4.02Å; F565-L689 HydrophobicContact CZ-CB 4.13Å; F565-L689 HydrophobicContact CZ-CD2 3.74Å; V577-L689 HydrophobicContact CG2-CD2 4.14Å; L590-L689 HydrophobicContact CD2-CD2 3.75Å; L590-L689 HydrophobicContact CD2-CG 4.41Å; L685-L689 HydrophobicContact CD1-CD1 4.05Å; L685-L689 HydrophobicContact CD1-CG 4.13Å; L685-L689 HydrophobicContact CG-CD1 4Å; L685-L689 HydrophobicContact CG-CG 4.47Å; L685-L689 WeakPolarHBondContact O-CB 3.43Å; L685-L689 WeakPolarHBondContact O-CG 3.33Å; L685-L689 PolarHBondContact O-N 2.94Å; S686-L689 PolarHBondContact O-N 3.41Å; L689-C692 WeakPolarHBondContact O-CB 3.4Å; L689-C692 PolarHBondContact O-N 2.98Å; L689-A693 WeakPolarHBondContact O-CB 3.45Å; L689-A693 PolarHBondContact O-N 2.9Å
690	A	84.5	Confident	78.6	Confident	5 Å²	5	14.5 Å²	14.5	4%	0.041	7%	0.068	C	C	.	.	H	α-helix	trans	-63.5	-43.7	175.2	0	0	0	0	0	111.8	L510 L512 V520 S686 C687 A693 A694	L510-A690 HydrophobicContact CD1-CB 4.01Å; L512-A690 HydrophobicContact CD1-CB 3.85Å; L512-A690 HydrophobicContact CD2-CB 4.21Å; V520-A690 HydrophobicContact CG2-CB 4.16Å; S686-A690 VanDerWaalsContact O-CB 3.29Å; S686-A690 WeakPolarHBondContact O-CB 3.44Å; S686-A690 PolarHBondContact O-N 3.23Å; C687-A690 PolarHBondContact O-N 2.94Å; A690-A693 PolarHBondContact O-N 2.96Å; A690-A694 WeakPolarHBondContact O-CB 3.49Å; A690-A694 PolarHBondContact O-N 3.41Å
691	R	84.8	Confident	79.3	Confident	26 Å²	26	14.3 Å²	14.3	10%	0.098	7%	0.067	C	C	.	.	H	α-helix	trans	-62.1	-44.4	173.7	-170.8	171.5	-70.5	-179.2	-0.8	111.5	E625 V626 Y629 F633 C687 Q688 A693 A694 C695	E625-R691 PolarHBondContact O-NH1 3.47Å; V626-R691 HydrophobicContact CG2-CG 4.49Å; Y629-R691 VanDerWaalsContact C-NH1 3.3Å; Y629-R691 PolarHBondContact O-NH1 3.17Å; F633-R691 HydrophobicContact CE2-CB 4.16Å; F633-R691 HydrophobicContact CZ-CB 3.97Å; F633-R691 VanDerWaalsContact CZ-NE 3.31Å; F633-R691 VanDerWaalsContact CZ-NH2 3.35Å; C687-R691 WeakPolarHBondContact O-CB 3.38Å; C687-R691 PolarHBondContact O-N 3.34Å; Q688-R691 PolarHBondContact O-N 2.91Å; R691-A693 PolarHBondContact O-N 3.11Å; R691-A694 PolarHBondContact O-N 2.67Å; R691-C695 WeakPolarHBondContact O-CB 3.15Å; R691-C695 PolarHBondContact O-N 2.99Å; R691-C695 PolarHBondContact O-SG 3.1Å
692	C	85.3	Confident	79.6	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-58.3	-48	177.7	-170	0	0	0	0	110.8	L590 M592 V626 Q688 L689 A694 C695 I696	L590-C692 HydrophobicContact CD2-CB 4.47Å; M592-C692 VanDerWaalsContact SD-SG 3.65Å; V626-C692 HydrophobicContact CG2-CB 4.03Å; Q688-C692 VanDerWaalsContact O-CB 3.27Å; Q688-C692 WeakPolarHBondContact O-CB 3.38Å; Q688-C692 PolarHBondContact O-N 3.29Å; L689-C692 WeakPolarHBondContact O-CB 3.4Å; L689-C692 PolarHBondContact O-N 2.98Å; C692-A694 PolarHBondContact O-N 2.97Å; C692-C695 PolarHBondContact O-N 3.4Å; C692-I696 WeakPolarHBondContact O-CD1 3.43Å; C692-I696 WeakPolarHBondContact O-CG1 3.48Å; C692-I696 PolarHBondContact O-N 3.19Å
693	A	83.5	Confident	79.5	Confident	4 Å²	4	14.6 Å²	14.6	3%	0.033	7%	0.068	C	C	.	.	H	α-helix	trans	-59.2	-44.9	175.9	0	0	0	0	0	112.3	V524 F565 L689 A690 R691 I696 D697	V524-A693 HydrophobicContact CG1-CB 4.09Å; F565-A693 HydrophobicContact CD1-CB 4.05Å; F565-A693 HydrophobicContact CE1-CB 3.76Å; F565-A693 HydrophobicContact CZ-CB 4.43Å; L689-A693 WeakPolarHBondContact O-CB 3.45Å; L689-A693 PolarHBondContact O-N 2.9Å; A690-A693 PolarHBondContact O-N 2.96Å; R691-A693 PolarHBondContact O-N 3.11Å; A693-I696 PolarHBondContact O-N 3.31Å; A693-D697 WeakPolarHBondContact O-CB 3.45Å; A693-D697 PolarHBondContact O-N 3.48Å
694	A	82.6	Confident	78.5	Confident	6 Å²	6	18 Å²	18	5%	0.05	8%	0.084	C	C	.	.	H	α-helix	trans	-63.9	-41.6	177.5	0	0	0	0	0	112.8	V520 P521 V524 A690 R691 C692 D697 A698	V520-A694 HydrophobicContact CG1-CB 4.22Å; P521-A694 HydrophobicContact CG-CB 4.13Å; V524-A694 HydrophobicContact CG2-CB 3.99Å; A690-A694 WeakPolarHBondContact O-CB 3.49Å; A690-A694 PolarHBondContact O-N 3.41Å; R691-A694 PolarHBondContact O-N 2.67Å; C692-A694 PolarHBondContact O-N 2.97Å; A694-D697 PolarHBondContact O-N 3.28Å; A694-A698 VanDerWaalsContact O-CB 3.32Å; A694-A698 WeakPolarHBondContact O-CB 3.29Å; A694-A698 PolarHBondContact O-N 3.21Å
695	C	80.6	Confident	77.3	Confident	2 Å²	2	22.3 Å²	22.3	1%	0.014	11%	0.107	C	C	.	.	H	α-helix	trans	-67.2	-41.3	176.9	-69	0	0	0	0	111.8	L622 R691 C692 A698 L699 L730	L622-C695 HydrophobicContact CD1-CB 3.65Å; L622-C695 HydrophobicContact CG-CB 3.98Å; R691-C695 WeakPolarHBondContact O-CB 3.15Å; R691-C695 PolarHBondContact O-N 2.99Å; R691-C695 PolarHBondContact O-SG 3.1Å; C692-C695 PolarHBondContact O-N 3.4Å; C695-A698 PolarHBondContact O-N 3.44Å; C695-L699 VanDerWaalsContact O-CG 3.3Å; C695-L699 WeakPolarHBondContact O-CG 3.44Å; C695-L699 PolarHBondContact O-N 2.78Å; C695-L730 HydrophobicContact CB-CD2 4.14Å
696	I	79.1	Confident	75.7	Confident	6 Å²	6	26.5 Å²	26.5	3%	0.031	12%	0.123	C	C	.	.	H	α-helix	trans	-64.2	-42.7	175.9	-62.1	162.9	0	0	0	110.1	L526 F565 V573 M592 L622 C692 A693 L699 Y700	L526-I696 HydrophobicContact CD1-CB 3.69Å; L526-I696 HydrophobicContact CD1-CG2 3.43Å; L526-I696 VanDerWaalsContact CD1-CG2 3.43Å; F565-I696 HydrophobicContact CD2-CD1 4.31Å; V573-I696 HydrophobicContact CG1-CD1 4.42Å; V573-I696 HydrophobicContact CG2-CG2 4.06Å; M592-I696 HydrophobicContact CE-CD1 3.6Å; M592-I696 HydrophobicContact CE-CG1 4.02Å; L622-I696 HydrophobicContact CD1-CG1 3.93Å; C692-I696 WeakPolarHBondContact O-CD1 3.43Å; C692-I696 WeakPolarHBondContact O-CG1 3.48Å; C692-I696 PolarHBondContact O-N 3.19Å; A693-I696 PolarHBondContact O-N 3.31Å; I696-L699 PolarHBondContact O-N 3.04Å; I696-Y700 PolarHBondContact O-N 3.15Å
697	D	78.4	Confident	74	Confident	5 Å²	5	31.7 Å²	31.7	3%	0.027	15%	0.145	C	C	.	.	H	α-helix	trans	-65.6	-40.2	178.1	-162.6	56.2	0	0	0	111.4	L526 R567 A693 A694 Y700 R701	L526-D697 HydrophobicContact CD1-CB 3.84Å; L526-D697 HydrophobicContact CG-CB 4.26Å; R567-D697 IonicContact CZ-OD1 3.74Å; R567-D697 IonicContact NE-OD1 3.74Å; R567-D697 IonicContact NH2-OD1 2.81Å; R567-D697 PolarHBondContact NH2-OD1 2.77Å; A693-D697 WeakPolarHBondContact O-CB 3.45Å; A693-D697 PolarHBondContact O-N 3.48Å; A694-D697 PolarHBondContact O-N 3.28Å; D697-Y700 PolarHBondContact O-N 3.13Å; D697-R701 WeakPolarHBondContact O-CG 3.48Å; D697-R701 PolarHBondContact O-N 2.95Å; D697-R701 IonicContact OD2-CZ 3.97Å; D697-R701 IonicContact OD2-NE 3.28Å; D697-R701 PolarHBondContact OD2-NE 3.38Å; D697-R701 IonicContact OD2-NH2 2.81Å; D697-R701 PolarHBondContact OD2-NH2 2.76Å
698	A	76.7	Confident	72.2	Confident	14 Å²	14	36.4 Å²	36.4	12%	0.116	17%	0.17	C	C	.	.	H	α-helix	trans	-61.2	-44.2	174.6	0	0	0	0	0	112.2	A694 C695 Y700 R701 D702 F739	A694-A698 VanDerWaalsContact O-CB 3.32Å; A694-A698 WeakPolarHBondContact O-CB 3.29Å; A694-A698 PolarHBondContact O-N 3.21Å; C695-A698 PolarHBondContact O-N 3.44Å; A698-Y700 VanDerWaalsContact C-N 3.32Å; A698-Y700 PolarHBondContact O-N 3.4Å; A698-R701 PolarHBondContact O-N 3.2Å; A698-D702 VanDerWaalsContact O-CB 3.27Å; A698-D702 WeakPolarHBondContact O-CB 3.32Å; A698-D702 PolarHBondContact O-N 3.28Å; A698-F739 HydrophobicContact CB-CD1 4.22Å; A698-F739 HydrophobicContact CB-CD2 4.18Å; A698-F739 HydrophobicContact CB-CE1 3.89Å; A698-F739 HydrophobicContact CB-CE2 3.84Å; A698-F739 HydrophobicContact CB-CG 4.35Å; A698-F739 HydrophobicContact CB-CZ 3.67Å
699	L	74.4	Confident	70.3	Confident	12 Å²	12	39.6 Å²	39.6	6%	0.063	19%	0.193	C	C	.	.	H	α-helix	trans	-61	-41.3	175.2	-73.5	177.8	0	0	0	111.7	L614 L622 C695 I696 Q703 R728 L730	L614-L699 HydrophobicContact CD2-CD2 4.4Å; L622-L699 HydrophobicContact CD1-CD1 3.52Å; C695-L699 VanDerWaalsContact O-CG 3.3Å; C695-L699 WeakPolarHBondContact O-CG 3.44Å; C695-L699 PolarHBondContact O-N 2.78Å; I696-L699 PolarHBondContact O-N 3.04Å; L699-Q703 WeakPolarHBondContact O-CB 3.49Å; L699-Q703 WeakPolarHBondContact O-CG 3.35Å; L699-Q703 PolarHBondContact O-N 3.38Å; L699-R728 HydrophobicContact CD2-CB 4.07Å; L699-R728 HydrophobicContact CD2-CG 4.32Å; L699-R728 PolarHBondContact O-NH1 2.81Å; L699-L730 HydrophobicContact CD1-CD2 4.49Å; L699-L730 HydrophobicContact CD2-CD2 3.92Å; L699-L730 HydrophobicContact CG-CD2 3.94Å
700	Y	71.8	Confident	68.3	Low	58 Å²	58	46 Å²	46	23%	0.227	23%	0.226	C	C	.	.	H	α-helix	trans	-66.4	-47.5	178.1	-174.6	-99.9	0	0	0	112.1	F598 I696 D697 A698 D702 Q703 M704	F598-Y700 HydrophobicContact CD1-CE2 4.1Å; F598-Y700 HydrophobicContact CE1-CE2 4.39Å; I696-Y700 PolarHBondContact O-N 3.15Å; D697-Y700 PolarHBondContact O-N 3.13Å; A698-Y700 VanDerWaalsContact C-N 3.32Å; A698-Y700 PolarHBondContact O-N 3.4Å; Y700-D702 PolarHBondContact O-N 3.14Å; Y700-Q703 PolarHBondContact O-N 2.85Å; Y700-M704 HydrophobicContact CD1-CG 4.49Å; Y700-M704 HydrophobicContact CE1-CE 4.02Å; Y700-M704 HydrophobicContact CE1-CG 4.17Å; Y700-M704 HydrophobicContact CE2-CE 4Å; Y700-M704 VanDerWaalsContact CZ-CE 3.44Å; Y700-M704 PolarHBondContact O-N 3.06Å; Y700-M704 WeakPolarHBondContact OH-CE 3.4Å
701	R	70.3	Confident	66.3	Low	94 Å²	94	54.3 Å²	54.3	36%	0.355	26%	0.262	S	S	.	.	H	α-helix	trans	-59.8	-45.5	176.5	-72.8	-178.5	-173.2	-134	-1.5	111.4	D523 E525 D697 A698 Q703 M704 I705	D523-R701 PolarHBondContact O-NH2 3.47Å; E525-R701 IonicContact OE1-NH2 2.68Å; D697-R701 WeakPolarHBondContact O-CG 3.48Å; D697-R701 PolarHBondContact O-N 2.95Å; D697-R701 IonicContact OD2-CZ 3.97Å; D697-R701 IonicContact OD2-NE 3.28Å; D697-R701 PolarHBondContact OD2-NE 3.38Å; D697-R701 IonicContact OD2-NH2 2.81Å; D697-R701 PolarHBondContact OD2-NH2 2.76Å; A698-R701 PolarHBondContact O-N 3.2Å; R701-Q703 VanDerWaalsContact C-N 3.35Å; R701-Q703 PolarHBondContact O-N 3.09Å; R701-M704 PolarHBondContact O-N 3.4Å; R701-I705 WeakPolarHBondContact O-CD1 3.42Å; R701-I705 VanDerWaalsContact O-CG1 3.24Å; R701-I705 WeakPolarHBondContact O-CG1 3.3Å; R701-I705 PolarHBondContact O-N 2.75Å
702	D	66.5	Low	64	Low	23 Å²	23	56.3 Å²	56.3	12%	0.123	28%	0.28	C	S	.	.	H	α-helix	trans	-66.7	-35.3	179.9	-174.3	43.1	0	0	0	112	A698 Y700 I705 W706 R728	A698-D702 VanDerWaalsContact O-CB 3.27Å; A698-D702 WeakPolarHBondContact O-CB 3.32Å; A698-D702 PolarHBondContact O-N 3.28Å; Y700-D702 PolarHBondContact O-N 3.14Å; D702-I705 PolarHBondContact O-N 2.94Å; D702-W706 WeakPolarHBondContact O-CB 3.16Å; D702-W706 PolarHBondContact O-N 3.45Å; D702-R728 IonicContact OD2-CZ 3.52Å; D702-R728 IonicContact OD2-NE 3.93Å; D702-R728 IonicContact OD2-NH1 2.89Å; D702-R728 PolarHBondContact OD2-NH1 3.41Å
703	Q	64.6	Low	61.5	Low	38 Å²	38	62.5 Å²	62.5	18%	0.178	32%	0.318	C	S	.	.	H	α-helix	trans	-64.2	-42	170.8	-81.7	-163.9	-11	0	0	113.5	L614 L699 Y700 R701 I705 W706 K707	L614-Q703 VanDerWaalsContact CD1-NE2 3.26Å; L699-Q703 WeakPolarHBondContact O-CB 3.49Å; L699-Q703 WeakPolarHBondContact O-CG 3.35Å; L699-Q703 PolarHBondContact O-N 3.38Å; Y700-Q703 PolarHBondContact O-N 2.85Å; R701-Q703 VanDerWaalsContact C-N 3.35Å; R701-Q703 PolarHBondContact O-N 3.09Å; Q703-I705 VanDerWaalsContact C-N 3.33Å; Q703-W706 PolarHBondContact O-N 2.89Å; Q703-K707 PolarHBondContact O-N 3.45Å
704	M	57.7	Low	58.9	Low	79 Å²	79	68.9 Å²	68.9	39%	0.389	35%	0.351	S	S	.	.	H	α-helix	trans	-63.5	-41.9	175.8	-75.2	-65.6	-175.2	0	0	111.2	Y700 R701 K707 N708	Y700-M704 HydrophobicContact CD1-CG 4.49Å; Y700-M704 HydrophobicContact CE1-CE 4.02Å; Y700-M704 HydrophobicContact CE1-CG 4.17Å; Y700-M704 HydrophobicContact CE2-CE 4Å; Y700-M704 VanDerWaalsContact CZ-CE 3.44Å; Y700-M704 PolarHBondContact O-N 3.06Å; Y700-M704 WeakPolarHBondContact OH-CE 3.4Å; R701-M704 PolarHBondContact O-N 3.4Å; M704-K707 PolarHBondContact O-N 3.48Å; M704-N708 WeakPolarHBondContact O-CB 3.4Å; M704-N708 PolarHBondContact O-N 2.7Å; M704-N708 PolarHBondContact O-ND2 3.37Å
705	I	57.1	Low	56.3	Low	96 Å²	96	73.1 Å²	73.1	49%	0.492	38%	0.38	S	S	.	.	H	α-helix	trans	-63.6	-42.1	175.6	-65.3	162.9	0	0	0	110.6	R701 D702 Q703 N708 S709	R701-I705 WeakPolarHBondContact O-CD1 3.42Å; R701-I705 VanDerWaalsContact O-CG1 3.24Å; R701-I705 WeakPolarHBondContact O-CG1 3.3Å; R701-I705 PolarHBondContact O-N 2.75Å; D702-I705 PolarHBondContact O-N 2.94Å; Q703-I705 VanDerWaalsContact C-N 3.33Å; I705-N708 PolarHBondContact O-N 3.46Å; I705-S709 VanDerWaalsContact O-CB 3.3Å; I705-S709 WeakPolarHBondContact O-CB 3.48Å; I705-S709 PolarHBondContact O-N 3.44Å
706	W	51	Low	53.8	Low	88 Å²	88	78.9 Å²	78.9	33%	0.333	42%	0.42	S	S	.	.	H	α-helix	trans	-59.8	-48.5	174.6	-101.7	74.3	0	0	0	112.8	D702 Q703 N708 S709 L710 S720 V721	D702-W706 WeakPolarHBondContact O-CB 3.16Å; D702-W706 PolarHBondContact O-N 3.45Å; Q703-W706 PolarHBondContact O-N 2.89Å; W706-N708 PolarHBondContact O-N 3.25Å; W706-S709 PolarHBondContact O-N 2.87Å; W706-L710 HydrophobicContact CE3-CD1 4.07Å; W706-L710 PolarHBondContact O-N 3.35Å; W706-S720 WeakPolarHBondContact CZ2-OG 3.3Å; W706-S720 VanDerWaalsContact NE1-CB 3.35Å; W706-S720 PolarHBondContact NE1-OG 3.27Å; W706-V721 HydrophobicContact CH2-CG2 4.4Å; W706-V721 HydrophobicContact CZ2-CB 4.23Å; W706-V721 HydrophobicContact CZ2-CG2 3.43Å; W706-V721 VanDerWaalsContact CZ2-CG2 3.43Å
707	K	49.1	Very low	51.5	Low	108 Å²	108	83.1 Å²	83.1	47%	0.47	45%	0.45	S	S	.	.	H	α-helix	trans	-61	-36.1	177.2	-77.7	-172.2	176	-174.3	0	111.7	Q703 M704	Q703-K707 PolarHBondContact O-N 3.45Å; M704-K707 PolarHBondContact O-N 3.48Å
708	N	46.4	Very low	50	Low	99 Å²	99	89.2 Å²	89.2	53%	0.529	49%	0.488	S	S	.	.	H	α-helix	trans	-76	-35.1	177.6	-68.7	-18.4	0	0	0	112.4	M704 I705 W706 K711 S712	M704-N708 WeakPolarHBondContact O-CB 3.4Å; M704-N708 PolarHBondContact O-N 2.7Å; M704-N708 PolarHBondContact O-ND2 3.37Å; I705-N708 PolarHBondContact O-N 3.46Å; W706-N708 PolarHBondContact O-N 3.25Å; N708-K711 PolarHBondContact O-N 3.39Å; N708-S712 PolarHBondContact O-N 2.95Å
709	S	46.1	Very low	48.4	Very low	69 Å²	69	99.6 Å²	99.6	48%	0.483	52%	0.524	S	S	.	.	H	α-helix	trans	-70.8	-36.1	176.9	179.9	0	0	0	0	112.3	I705 W706 K711 S712	I705-S709 VanDerWaalsContact O-CB 3.3Å; I705-S709 WeakPolarHBondContact O-CB 3.48Å; I705-S709 PolarHBondContact O-N 3.44Å; W706-S709 PolarHBondContact O-N 2.87Å; S709-K711 PolarHBondContact O-N 2.95Å; S709-S712 CarbonylContact O-C 3.31Å; S709-S712 VanDerWaalsContact O-C 3.31Å; S709-S712 PolarHBondContact O-N 3.24Å
710	L	42.9	Very low	47.6	Very low	133 Å²	133	100.6 Å²	100.6	70%	0.696	53%	0.532	S	S	*	.	H	α-helix	trans	-60.1	-24.5	170.6	-89.6	145.6	0	0	0	112.9	W706	W706-L710 HydrophobicContact CE3-CD1 4.07Å; W706-L710 PolarHBondContact O-N 3.35Å
711	K	43.4	Very low	47.2	Very low	181 Å²	181	98.9 Å²	98.9	79%	0.787	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-10.8	174.8	-66.3	178.9	-179.7	179.9	0	113.5	N708 S709	N708-K711 PolarHBondContact O-N 3.39Å; S709-K711 PolarHBondContact O-N 2.95Å
712	S	37	Very low	46.8	Very low	68 Å²	68	101.2 Å²	101.2	48%	0.476	54%	0.536	S	S	.	.			trans	-128.3	91.5	-175.3	171.2	0	0	0	0	110.1	N708 S709 N714	N708-S712 PolarHBondContact O-N 2.95Å; S709-S712 CarbonylContact O-C 3.31Å; S709-S712 VanDerWaalsContact O-C 3.31Å; S709-S712 PolarHBondContact O-N 3.24Å; S712-N714 PolarHBondContact O-N 3.33Å
713	T	32.1	Very low	46.3	Very low	130 Å²	130	107.8 Å²	107.8	80%	0.798	56%	0.561	S	S	*	*			trans	-71.8	68.1	171	55.6	0	0	0	0	110.3
714	N	29.1	Very low	46.3	Very low	138 Å²	138	111.8 Å²	111.8	74%	0.738	59%	0.59	S	S	*	*			trans	-170.4	138.4	162.3	-94.8	-27.7	0	0	0	112.8	S712	S712-N714 PolarHBondContact O-N 3.33Å
715	S	28.2	Very low	46.6	Very low	95 Å²	95	111 Å²	111	66%	0.664	59%	0.589	S	S	*	*			trans	66.8	101.7	158.3	60.8	0	0	0	0	119.9
716	S	28.5	Very low	47.1	Very low	122 Å²	122	112.7 Å²	112.7	85%	0.853	59%	0.59	S	S	*	*				45.4	79.5	126.5	65.4	0	0	0	0	118.1
717	S	31.2	Very low	48	Very low	95 Å²	95	109.4 Å²	109.4	66%	0.664	58%	0.58	S	S	*	*			trans	-133.3	134.4	154.3	33.9	0	0	0	0	107.7
718	V	45	Very low	49.1	Very low	133 Å²	133	105.6 Å²	105.6	81%	0.806	56%	0.563	S	S	*	*			trans	-16.3	123.3	-174.5	-178.7	0	0	0	0	113.7	S720	V718-S720 VanDerWaalsContact C-N 3.32Å; V718-S720 WeakPolarHBondContact O-CA 3.36Å; V718-S720 PolarHBondContact O-N 2.88Å
719	R	44.9	Very low	50.3	Low	232 Å²	232	102.2 Å²	102.2	88%	0.875	55%	0.546	S	S	*	.			trans	-41.6	96	174.2	-84.4	-177.7	175.9	176.8	-1.3	109.2	V721	R719-V721 PolarHBondContact O-N 2.78Å; R719-V721 VanDerWaalsContact O-N 3.12Å
720	S	57.3	Low	51.8	Low	34 Å²	34	99.3 Å²	99.3	24%	0.238	53%	0.525	C	S	.	.			trans	-73	-9.7	-164.3	54.7	0	0	0	0	113.3	W706 V718	W706-S720 WeakPolarHBondContact CZ2-OG 3.3Å; W706-S720 VanDerWaalsContact NE1-CB 3.35Å; W706-S720 PolarHBondContact NE1-OG 3.27Å; V718-S720 VanDerWaalsContact C-N 3.32Å; V718-S720 WeakPolarHBondContact O-CA 3.36Å; V718-S720 PolarHBondContact O-N 2.88Å
721	V	62.4	Low	53.6	Low	22 Å²	22	97.2 Å²	97.2	13%	0.133	51%	0.508	C	S	.	.			trans	-144.5	121.7	-168.2	174	0	0	0	0	108.8	W706 R719 R726	W706-V721 HydrophobicContact CH2-CG2 4.4Å; W706-V721 HydrophobicContact CZ2-CB 4.23Å; W706-V721 HydrophobicContact CZ2-CG2 3.43Å; W706-V721 VanDerWaalsContact CZ2-CG2 3.43Å; R719-V721 PolarHBondContact O-N 2.78Å; R719-V721 VanDerWaalsContact O-N 3.12Å; V721-R726 HydrophobicContact CG1-CB 3.34Å; V721-R726 HydrophobicContact CG1-CG 3.59Å
722	R	63.1	Low	55.3	Low	143 Å²	143	91 Å²	91	54%	0.54	48%	0.48	S	S	.	.	B	Isolated β-bridge	trans	-95.3	129.6	170.6	-77.2	-173.5	-177.3	178.9	2.8	110.6	R726 S727	R722-R726 CarbonylContact O-C 3.58Å; R722-R726 WeakPolarHBondContact O-CA 3.33Å; R722-R726 PolarHBondContact O-N 2.93Å; R722-S727 PolarHBondContact N-O 3.42Å; R722-S727 PolarHBondContact O-N 3.29Å; R722-S727 VanDerWaalsContact O-N 3.09Å
723	Y	54.4	Low	57.2	Low	161 Å²	161	90.3 Å²	90.3	63%	0.631	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	148.7	171.5	-70.6	-86	0	0	0	109.8	R726	Y723-R726 HydrophobicContact CD1-CG 4.28Å; Y723-R726 HydrophobicContact CE1-CG 3.98Å
724	P	65.5	Low	59.1	Low	122 Å²	122	87 Å²	87	79%	0.792	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	cis	-91	-23.9	18.4	31.4	-32.5	0	0	0	116.2	R726	P724-R726 VanDerWaalsContact C-N 3.3Å; P724-R726 PolarHBondContact O-N 2.98Å
725	T	64.5	Low	61.2	Low	62 Å²	62	85.5 Å²	85.5	38%	0.38	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-6.1	-172	52.7	0	0	0	0	114.6	L617 E621 S727	L617-T725 HydrophobicContact CD2-CG2 3.81Å; E621-T725 PolarHBondContact OE1-OG1 3.23Å; T725-S727 VanDerWaalsContact C-N 3.28Å
726	R	68	Low	63.4	Low	132 Å²	132	86.3 Å²	86.3	50%	0.498	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	39.3	-167.3	-62.8	-172.6	174.3	-166.3	-0.6	112.5	H618 V721 R722 Y723 P724	H618-R726 PolarHBondContact NE2-O 3.01Å; V721-R726 HydrophobicContact CG1-CB 3.34Å; V721-R726 HydrophobicContact CG1-CG 3.59Å; R722-R726 CarbonylContact O-C 3.58Å; R722-R726 WeakPolarHBondContact O-CA 3.33Å; R722-R726 PolarHBondContact O-N 2.93Å; Y723-R726 HydrophobicContact CD1-CG 4.28Å; Y723-R726 HydrophobicContact CE1-CG 3.98Å; P724-R726 VanDerWaalsContact C-N 3.3Å; P724-R726 PolarHBondContact O-N 2.98Å
727	S	69.3	Low	65.6	Low	19 Å²	19	82.3 Å²	82.3	13%	0.133	43%	0.433	C	S	.	.	B	Isolated β-bridge	trans	-60.7	146.3	-177.5	65.9	0	0	0	0	112	E621 R722 T725 H741	E621-S727 WeakPolarHBondContact OE1-CA 3.49Å; E621-S727 WeakPolarHBondContact OE1-CB 3.35Å; E621-S727 WeakPolarHBondContact OE2-CA 3.33Å; E621-S727 WeakPolarHBondContact OE2-CB 3.34Å; R722-S727 PolarHBondContact N-O 3.42Å; R722-S727 PolarHBondContact O-N 3.29Å; R722-S727 VanDerWaalsContact O-N 3.09Å; T725-S727 VanDerWaalsContact C-N 3.28Å; S727-H741 PolarHBondContact O-CE1 3.19Å; S727-H741 PolarHBondContact O-ND1 2.86Å
728	R	71.7	Confident	67.7	Low	28 Å²	28	79.7 Å²	79.7	11%	0.106	42%	0.417	C	S	.	.			trans	-104.4	156.2	-179.9	-72.6	-177.4	-179.3	-133.7	10.7	111.6	E621 L699 D702 L730 H741	E621-R728 PolarHBondContact OE2-N 2.73Å; L699-R728 HydrophobicContact CD2-CB 4.07Å; L699-R728 HydrophobicContact CD2-CG 4.32Å; L699-R728 PolarHBondContact O-NH1 2.81Å; D702-R728 IonicContact OD2-CZ 3.52Å; D702-R728 IonicContact OD2-NE 3.93Å; D702-R728 IonicContact OD2-NH1 2.89Å; D702-R728 PolarHBondContact OD2-NH1 3.41Å; R728-L730 PolarHBondContact O-N 2.68Å; R728-H741 VanDerWaalsContact C-CE1 3.43Å; R728-H741 PolarHBondContact O-ND1 2.98Å
729	P	72.9	Confident	69.2	Low	28 Å²	28	76.4 Å²	76.4	18%	0.182	39%	0.392	C	S	.	.			trans	-78	105.2	179.9	30.9	-31.7	0	0	0	109.6	F739 V740 H741	P729-F739 HydrophobicContact CB-CB 4.04Å; P729-F739 HydrophobicContact CG-CB 4.42Å; P729-F739 WeakPolarHBondContact O-CB 3.45Å; P729-V740 CarbonylContact C-O 3.58Å; P729-V740 WeakPolarHBondContact CA-O 3.4Å; P729-H741 VanDerWaalsContact CD-CE1 3.45Å; P729-H741 WeakPolarHBondContact CD-CE1 3.08Å; P729-H741 VanDerWaalsContact N-CE1 3.34Å
730	L	76.4	Confident	70.8	Confident	8 Å²	8	67.9 Å²	67.9	4%	0.042	37%	0.366	C	S	.	.			trans	-110.6	-18.4	-177.4	-66.7	176.4	0	0	0	113.6	E621 L622 E625 C695 L699 R728 Y732 V740	E621-L730 HydrophobicContact CB-CD1 3.92Å; L622-L730 HydrophobicContact CB-CD1 4.34Å; E625-L730 HydrophobicContact CG-CB 3.85Å; E625-L730 HydrophobicContact CG-CD1 4.2Å; C695-L730 HydrophobicContact CB-CD2 4.14Å; L699-L730 HydrophobicContact CD1-CD2 4.49Å; L699-L730 HydrophobicContact CD2-CD2 3.92Å; L699-L730 HydrophobicContact CG-CD2 3.94Å; R728-L730 PolarHBondContact O-N 2.68Å; L730-Y732 PolarHBondContact O-N 3.35Å; L730-V740 PolarHBondContact N-O 2.77Å
731	R	80.2	Confident	71.6	Confident	88 Å²	88	67.2 Å²	67.2	33%	0.332	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	117.9	179.6	-177.1	-173.3	-177.4	171.7	1.7	110.1	F739 V740	R731-F739 CarbonylContact O-C 3.54Å; R731-F739 WeakPolarHBondContact O-CA 3.3Å; R731-V740 WeakPolarHBondContact CB-O 3.24Å; R731-V740 PolarHBondContact N-O 3.38Å; R731-V740 PolarHBondContact O-N 3.25Å
732	Y	80.1	Confident	72	Confident	50 Å²	50	72.1 Å²	72.1	20%	0.196	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	130.9	173.7	-174.5	-108.3	0	0	0	111.3	L519 P521 L730 F739	L519-Y732 WeakPolarHBondContact O-CD1 3.27Å; P521-Y732 HydrophobicContact CB-CD2 4.36Å; P521-Y732 HydrophobicContact CB-CE2 3.92Å; P521-Y732 HydrophobicContact CG-CD2 3.68Å; P521-Y732 HydrophobicContact CG-CE2 3.76Å; P521-Y732 HydrophobicContact CG-CG 4.07Å; L730-Y732 PolarHBondContact O-N 3.35Å; Y732-F739 HydrophobicContact CD2-CD2 4.4Å; Y732-F739 HydrophobicContact CD2-CE1 4.4Å; Y732-F739 HydrophobicContact CD2-CE2 4.25Å; Y732-F739 HydrophobicContact CD2-CZ 4.26Å
733	L	76	Confident	72.5	Confident	55 Å²	55	68.6 Å²	68.6	29%	0.288	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119.9	169.4	-68.4	178.2	0	0	0	109.6	S735 G737 A738 V740	L733-S735 VanDerWaalsContact C-N 3.29Å; L733-S735 PolarHBondContact O-N 3.03Å; L733-G737 WeakPolarHBondContact O-CA 3.44Å; L733-G737 PolarHBondContact O-N 3.39Å; L733-A738 PolarHBondContact N-O 2.86Å; L733-A738 PolarHBondContact O-N 3.34Å; L733-V740 HydrophobicContact CD1-CB 4.44Å; L733-V740 HydrophobicContact CD1-CG2 3.69Å; L733-V740 HydrophobicContact CG-CG2 4.2Å
734	P	71.5	Confident	73.4	Confident	61 Å²	61	63.7 Å²	63.7	40%	0.396	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-34.8	-177.2	20.2	-31.6	0	0	0	113.5	Q518 L519 G737	Q518-P734 WeakPolarHBondContact O-CB 3.39Å; L519-P734 HydrophobicContact CD2-CG 4.13Å; P734-G737 PolarHBondContact O-N 3.29Å
735	S	73.2	Confident	73.9	Confident	106 Å²	106	60.4 Å²	60.4	74%	0.741	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.3	112.1	165.7	65.7	0	0	0	0	107.3	L733	L733-S735 VanDerWaalsContact C-N 3.29Å; L733-S735 PolarHBondContact O-N 3.03Å
736	P	75.9	Confident	74.4	Confident	111 Å²	111	60.4 Å²	60.4	72%	0.721	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	cis	-92.7	10.5	25	36.2	-37.6	0	0	0	117.5	A738	P736-A738 HydrophobicContact CG-CB 4.14Å
737	G	73.8	Confident	74.8	Confident	38 Å²	38	55.9 Å²	55.9	39%	0.392	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	34.4	-175.8	0	0	0	0	0	112.9	L733 P734	L733-G737 WeakPolarHBondContact O-CA 3.44Å; L733-G737 PolarHBondContact O-N 3.39Å; P734-G737 PolarHBondContact O-N 3.29Å
738	A	75.5	Confident	75.2	Confident	40 Å²	40	58.3 Å²	58.3	33%	0.331	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	148.3	-175.4	0	0	0	0	0	111.8	L733 P736	L733-A738 PolarHBondContact N-O 2.86Å; L733-A738 PolarHBondContact O-N 3.34Å; P736-A738 HydrophobicContact CG-CB 4.14Å
739	F	76.2	Confident	75.4	Confident	65 Å²	65	60.5 Å²	60.5	29%	0.285	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	129.8	166.4	-74.3	-82.6	0	0	0	110	P521 A698 P729 R731 Y732	P521-F739 HydrophobicContact CG-CE1 4.44Å; P521-F739 HydrophobicContact CG-CE2 3.79Å; P521-F739 HydrophobicContact CG-CZ 3.47Å; P521-F739 VanDerWaalsContact CG-CZ 3.47Å; A698-F739 HydrophobicContact CB-CD1 4.22Å; A698-F739 HydrophobicContact CB-CD2 4.18Å; A698-F739 HydrophobicContact CB-CE1 3.89Å; A698-F739 HydrophobicContact CB-CE2 3.84Å; A698-F739 HydrophobicContact CB-CG 4.35Å; A698-F739 HydrophobicContact CB-CZ 3.67Å; P729-F739 HydrophobicContact CB-CB 4.04Å; P729-F739 HydrophobicContact CG-CB 4.42Å; P729-F739 WeakPolarHBondContact O-CB 3.45Å; R731-F739 CarbonylContact O-C 3.54Å; R731-F739 WeakPolarHBondContact O-CA 3.3Å; Y732-F739 HydrophobicContact CD2-CD2 4.4Å; Y732-F739 HydrophobicContact CD2-CE1 4.4Å; Y732-F739 HydrophobicContact CD2-CE2 4.25Å; Y732-F739 HydrophobicContact CD2-CZ 4.26Å
740	V	78.6	Confident	75.6	Confident	53 Å²	53	63 Å²	63	32%	0.321	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	151.2	178.9	-172.1	0	0	0	0	108.8	P729 L730 R731 L733	P729-V740 CarbonylContact C-O 3.58Å; P729-V740 WeakPolarHBondContact CA-O 3.4Å; L730-V740 PolarHBondContact N-O 2.77Å; R731-V740 WeakPolarHBondContact CB-O 3.24Å; R731-V740 PolarHBondContact N-O 3.38Å; R731-V740 PolarHBondContact O-N 3.25Å; L733-V740 HydrophobicContact CD1-CB 4.44Å; L733-V740 HydrophobicContact CD1-CG2 3.69Å; L733-V740 HydrophobicContact CG-CG2 4.2Å
741	H	75.3	Confident	75.6	Confident	20 Å²	20	67.6 Å²	67.6	9%	0.093	38%	0.38	C	S	.	.			trans	-64.5	142.6	169.6	-65.5	-69.6	0	0	0	110.5	S727 R728 P729	S727-H741 PolarHBondContact O-CE1 3.19Å; S727-H741 PolarHBondContact O-ND1 2.86Å; R728-H741 VanDerWaalsContact C-CE1 3.43Å; R728-H741 PolarHBondContact O-ND1 2.98Å; P729-H741 VanDerWaalsContact CD-CE1 3.45Å; P729-H741 WeakPolarHBondContact CD-CE1 3.08Å; P729-H741 VanDerWaalsContact N-CE1 3.34Å
742	R	70.6	Confident	75.2	Confident	124 Å²	124	65.7 Å²	65.7	47%	0.468	39%	0.385	S	S	.	.			trans	-70.8	0	164.8	-159.6	70.5	-178	-166.7	3	110.8	E625 Y629 E632	E625-R742 VanDerWaalsContact OE1-CB 3.3Å; E625-R742 WeakPolarHBondContact OE1-CB 3.38Å; E625-R742 WeakPolarHBondContact OE1-CD 3.49Å; E625-R742 VanDerWaalsContact OE1-CG 3.3Å; E625-R742 WeakPolarHBondContact OE1-CG 3.16Å; Y629-R742 HydrophobicContact CE2-CG 4Å; E632-R742 IonicContact OE1-CZ 2.63Å; E632-R742 IonicContact OE1-NH1 3.92Å; E632-R742 PolarHBondContact OE1-NH1 3.24Å; E632-R742 IonicContact OE1-NH2 2.82Å; E632-R742 PolarHBondContact OE1-NH2 3.2Å; E632-R742 IonicContact OE2-NH1 3.43Å

Retrieved 742 of 742 residues in 829.4 ms (Link to these results)

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