A0A3Q0KM83_SCHMA Loading...

Putative trad-d4

AlphaFold DB , UniProt , Accession A0A3Q0KM83, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 401 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	30	Very low	54.9	Low	242 Å²	242	107.6 Å²	107.6	100%	1.192	59%	0.593	S	S	*	*				0	95.4	0	-72.9	172.9	131.2	0	0	105.9
2	T	35	Very low	56.1	Low	124 Å²	124	104.8 Å²	104.8	76%	0.761	59%	0.586	S	S	*	*			trans	-88.9	124.4	173.1	43.7	0	0	0	0	106.6	E4	T2-E4 PolarHBondContact O-N 3.26Å
3	D	37.6	Very low	56.9	Low	163 Å²	163	103.9 Å²	103.9	87%	0.872	57%	0.572	S	S	*	*			trans	-53.4	105.1	172.9	-63.9	-44.5	0	0	0	108.8	E5	D3-E5 PolarHBondContact O-N 2.87Å; D3-E5 VanDerWaalsContact O-N 3.16Å
4	E	49.8	Very low	57.6	Low	149 Å²	149	98.6 Å²	98.6	70%	0.696	54%	0.543	S	S	*	.			trans	-71.3	108.1	175.7	-70.9	-166.5	162.8	0	0	107.5	T2	T2-E4 PolarHBondContact O-N 3.26Å
5	E	59.8	Low	58.4	Low	77 Å²	77	98.1 Å²	98.1	36%	0.36	53%	0.534	S	S	.	.			trans	-55.1	134.1	170.3	-82.7	-168.2	154.1	0	0	108.8	D3 V7 I10 K13	D3-E5 PolarHBondContact O-N 2.87Å; D3-E5 VanDerWaalsContact O-N 3.16Å; E5-V7 PolarHBondContact O-N 3.32Å; E5-I10 HydrophobicContact CB-CD1 4.16Å; E5-I10 HydrophobicContact CB-CG1 4.13Å; E5-I10 VanDerWaalsContact O-CD1 3.28Å; E5-I10 WeakPolarHBondContact O-CD1 3.42Å; E5-K13 IonicContact OE1-NZ 3.56Å; E5-K13 PolarHBondContact OE1-NZ 3.45Å; E5-K13 IonicContact OE2-NZ 2.66Å; E5-K13 PolarHBondContact OE2-NZ 3.08Å
6	P	65.3	Low	59.1	Low	81 Å²	81	99.7 Å²	99.7	53%	0.526	54%	0.541	S	S	.	.			trans	-59.2	139.9	-179.4	19.7	-28.9	0	0	0	111	D8 V9 I10	P6-D8 PolarHBondContact O-N 3.02Å; P6-V9 HydrophobicContact CG-CB 4.31Å; P6-V9 HydrophobicContact CG-CG2 3.78Å; P6-V9 WeakPolarHBondContact O-CB 3.47Å; P6-V9 PolarHBondContact O-N 3.37Å; P6-I10 PolarHBondContact O-N 2.68Å
7	V	63.7	Low	59.4	Low	101 Å²	101	94.9 Å²	94.9	61%	0.612	52%	0.515	S	S	*	.	H	α-helix	trans	-51.2	-33.9	-173.6	177.7	0	0	0	0	112.6	E5 I10 A11	E5-V7 PolarHBondContact O-N 3.32Å; V7-I10 WeakPolarHBondContact O-CB 3.4Å; V7-I10 PolarHBondContact O-N 2.81Å; V7-A11 WeakPolarHBondContact O-CB 3.4Å; V7-A11 PolarHBondContact O-N 3.32Å
8	D	65.1	Low	59.9	Low	124 Å²	124	93.8 Å²	93.8	66%	0.663	51%	0.506	S	S	*	.	H	α-helix	trans	-68.2	-35	179.6	-61	-34.8	0	0	0	113.2	P6 S12	P6-D8 PolarHBondContact O-N 3.02Å; D8-S12 WeakPolarHBondContact O-CB 3.29Å; D8-S12 PolarHBondContact O-N 3.24Å; D8-S12 PolarHBondContact O-OG 3.11Å
9	V	66.7	Low	60.3	Low	61 Å²	61	98.7 Å²	98.7	37%	0.37	52%	0.516	S	S	.	.	H	α-helix	trans	-70.2	-38.7	176	174.4	0	0	0	0	110	P6 S12 K13	P6-V9 HydrophobicContact CG-CB 4.31Å; P6-V9 HydrophobicContact CG-CG2 3.78Å; P6-V9 WeakPolarHBondContact O-CB 3.47Å; P6-V9 PolarHBondContact O-N 3.37Å; V9-S12 PolarHBondContact O-N 3.06Å; V9-K13 WeakPolarHBondContact O-CG 3.41Å; V9-K13 PolarHBondContact O-N 3.41Å
10	I	63	Low	60.8	Low	14 Å²	14	97.4 Å²	97.4	7%	0.072	52%	0.516	C	S	.	.	H	α-helix	trans	-64.5	-48.3	174.5	-67.3	163.2	0	0	0	110.5	E5 P6 V7 S12 K13 I14 L100 Y104	E5-I10 HydrophobicContact CB-CD1 4.16Å; E5-I10 HydrophobicContact CB-CG1 4.13Å; E5-I10 VanDerWaalsContact O-CD1 3.28Å; E5-I10 WeakPolarHBondContact O-CD1 3.42Å; P6-I10 PolarHBondContact O-N 2.68Å; V7-I10 WeakPolarHBondContact O-CB 3.4Å; V7-I10 PolarHBondContact O-N 2.81Å; I10-S12 VanDerWaalsContact C-N 3.26Å; I10-S12 PolarHBondContact O-N 3.23Å; I10-K13 PolarHBondContact O-N 2.99Å; I10-I14 HydrophobicContact CG2-CD1 3.84Å; I10-I14 HydrophobicContact CG2-CG1 4.42Å; I10-I14 VanDerWaalsContact O-CG1 3.27Å; I10-I14 WeakPolarHBondContact O-CG1 3.1Å; I10-I14 PolarHBondContact O-N 3.4Å; I10-L100 HydrophobicContact CB-CD2 4.25Å; I10-L100 HydrophobicContact CD1-CD1 4.43Å; I10-L100 HydrophobicContact CD1-CD2 3.96Å; I10-L100 HydrophobicContact CG1-CD1 4.15Å; I10-L100 HydrophobicContact CG1-CD2 3.89Å; I10-L100 HydrophobicContact CG2-CD2 3.37Å; I10-Y104 HydrophobicContact CD1-CE2 3.61Å; I10-Y104 WeakPolarHBondContact CD1-OH 3.27Å
11	A	67.6	Low	60.8	Low	48 Å²	48	98.1 Å²	98.1	40%	0.397	51%	0.512	S	S	.	.	H	α-helix	trans	-58.3	-40.4	176.7	0	0	0	0	0	111.7	V7 I14 H15	V7-A11 WeakPolarHBondContact O-CB 3.4Å; V7-A11 PolarHBondContact O-N 3.32Å; A11-I14 WeakPolarHBondContact O-CB 3.47Å; A11-I14 PolarHBondContact O-N 2.72Å; A11-H15 WeakPolarHBondContact O-CB 3.43Å; A11-H15 PolarHBondContact O-N 3.41Å
12	S	69.7	Low	62.4	Low	74 Å²	74	86.7 Å²	86.7	52%	0.517	46%	0.455	S	S	.	.	H	α-helix	trans	-63.2	-45.6	176.1	-59.4	0	0	0	0	111.8	D8 V9 I10 H15 L16	D8-S12 WeakPolarHBondContact O-CB 3.29Å; D8-S12 PolarHBondContact O-N 3.24Å; D8-S12 PolarHBondContact O-OG 3.11Å; V9-S12 PolarHBondContact O-N 3.06Å; I10-S12 VanDerWaalsContact C-N 3.26Å; I10-S12 PolarHBondContact O-N 3.23Å; S12-H15 PolarHBondContact O-N 2.99Å; S12-L16 WeakPolarHBondContact O-CB 3.42Å; S12-L16 PolarHBondContact O-N 3.39Å
13	K	66.7	Low	63.8	Low	93 Å²	93	84.6 Å²	84.6	40%	0.404	44%	0.442	S	S	.	.	H	α-helix	trans	-63	-41.1	175.2	-72.7	176.3	-174.5	172.8	0	112.2	E5 V9 I10 H15 L16 L17	E5-K13 IonicContact OE1-NZ 3.56Å; E5-K13 PolarHBondContact OE1-NZ 3.45Å; E5-K13 IonicContact OE2-NZ 2.66Å; E5-K13 PolarHBondContact OE2-NZ 3.08Å; V9-K13 WeakPolarHBondContact O-CG 3.41Å; V9-K13 PolarHBondContact O-N 3.41Å; I10-K13 PolarHBondContact O-N 2.99Å; K13-H15 VanDerWaalsContact C-N 3.34Å; K13-H15 PolarHBondContact O-N 3.38Å; K13-L16 PolarHBondContact O-N 3.05Å; K13-L17 PolarHBondContact O-N 3.48Å
14	I	66.3	Low	65	Low	30 Å²	30	84.7 Å²	84.7	15%	0.154	44%	0.443	C	S	.	.	H	α-helix	trans	-57.1	-50.4	173.1	-67.2	163.8	0	0	0	109.9	I10 A11 L16 L17 Q18 L27 F97	I10-I14 HydrophobicContact CG2-CD1 3.84Å; I10-I14 HydrophobicContact CG2-CG1 4.42Å; I10-I14 VanDerWaalsContact O-CG1 3.27Å; I10-I14 WeakPolarHBondContact O-CG1 3.1Å; I10-I14 PolarHBondContact O-N 3.4Å; A11-I14 WeakPolarHBondContact O-CB 3.47Å; A11-I14 PolarHBondContact O-N 2.72Å; I14-L16 VanDerWaalsContact C-N 3.28Å; I14-L16 PolarHBondContact O-N 3.11Å; I14-L17 PolarHBondContact O-N 3.38Å; I14-Q18 HydrophobicContact CG2-CG 4.35Å; I14-Q18 WeakPolarHBondContact O-CB 3.36Å; I14-Q18 WeakPolarHBondContact O-CG 3.4Å; I14-Q18 PolarHBondContact O-N 3.29Å; I14-L27 HydrophobicContact CG2-CD1 4.21Å; I14-F97 HydrophobicContact CB-CE2 4.23Å; I14-F97 HydrophobicContact CB-CZ 4.23Å; I14-F97 HydrophobicContact CD1-CE2 4.27Å; I14-F97 HydrophobicContact CG1-CD2 4.48Å; I14-F97 HydrophobicContact CG1-CE2 3.27Å; I14-F97 HydrophobicContact CG1-CZ 3.55Å; I14-F97 HydrophobicContact CG2-CZ 4.31Å
15	H	69.9	Low	65.6	Low	90 Å²	90	78.9 Å²	78.9	42%	0.417	42%	0.417	S	S	.	.	H	α-helix	trans	-66.7	-32.3	-175	-150.4	-42.7	0	0	0	112	A11 S12 K13 R19	A11-H15 WeakPolarHBondContact O-CB 3.43Å; A11-H15 PolarHBondContact O-N 3.41Å; S12-H15 PolarHBondContact O-N 2.99Å; K13-H15 VanDerWaalsContact C-N 3.34Å; K13-H15 PolarHBondContact O-N 3.38Å; H15-R19 VanDerWaalsContact O-CB 3.25Å; H15-R19 WeakPolarHBondContact O-CB 3.38Å; H15-R19 VanDerWaalsContact O-CG 3.29Å; H15-R19 WeakPolarHBondContact O-CG 3.38Å; H15-R19 PolarHBondContact O-N 3.24Å
16	L	70	Confident	65.9	Low	124 Å²	124	79.3 Å²	79.3	65%	0.649	43%	0.426	S	S	*	.	H	α-helix	trans	-70.1	-42	174.4	-126.4	156.9	0	0	0	112	S12 K13 I14 R19 S20	S12-L16 WeakPolarHBondContact O-CB 3.42Å; S12-L16 PolarHBondContact O-N 3.39Å; K13-L16 PolarHBondContact O-N 3.05Å; I14-L16 VanDerWaalsContact C-N 3.28Å; I14-L16 PolarHBondContact O-N 3.11Å; L16-R19 PolarHBondContact O-N 3.26Å; L16-S20 WeakPolarHBondContact O-CB 3.38Å; L16-S20 PolarHBondContact O-N 3.26Å; L16-S20 PolarHBondContact O-OG 3.04Å
17	L	64.4	Low	65.9	Low	18 Å²	18	76.6 Å²	76.6	9%	0.094	41%	0.407	C	S	.	.	H	α-helix	trans	-67.4	-40	174.8	-80.1	164.6	0	0	0	112.2	K13 I14 S20 R21 F22 F97	K13-L17 PolarHBondContact O-N 3.48Å; I14-L17 PolarHBondContact O-N 3.38Å; L17-S20 PolarHBondContact O-N 3.21Å; L17-S20 PolarHBondContact O-OG 2.92Å; L17-R21 PolarHBondContact O-N 3.08Å; L17-F22 PolarHBondContact O-N 3.26Å; L17-F97 HydrophobicContact CD1-CB 3.79Å; L17-F97 HydrophobicContact CD1-CD1 3.59Å; L17-F97 HydrophobicContact CD1-CD2 3.81Å; L17-F97 HydrophobicContact CD1-CE1 4.12Å; L17-F97 HydrophobicContact CD1-CE2 4.35Å; L17-F97 HydrophobicContact CD1-CG 3.42Å; L17-F97 VanDerWaalsContact CD1-CG 3.42Å; L17-F97 HydrophobicContact CD1-CZ 4.49Å
18	Q	68.3	Low	66	Low	75 Å²	75	77.2 Å²	77.2	35%	0.35	41%	0.406	S	S	.	.	H	α-helix	trans	-65.5	-37.9	173.6	-76.4	-178.5	-21.1	0	0	112.5	I14 F22 T23 L27	I14-Q18 HydrophobicContact CG2-CG 4.35Å; I14-Q18 WeakPolarHBondContact O-CB 3.36Å; I14-Q18 WeakPolarHBondContact O-CG 3.4Å; I14-Q18 PolarHBondContact O-N 3.29Å; Q18-F22 CarbonylContact O-C 3.59Å; Q18-T23 VanDerWaalsContact O-CA 3.24Å; Q18-T23 WeakPolarHBondContact O-CA 3.21Å; Q18-T23 WeakPolarHBondContact O-CG2 3.26Å; Q18-T23 PolarHBondContact O-N 2.98Å; Q18-L27 HydrophobicContact CG-CD1 4.1Å; Q18-L27 HydrophobicContact CG-CD2 4.02Å; Q18-L27 HydrophobicContact CG-CG 4.2Å; Q18-L27 VanDerWaalsContact NE2-CD1 3.28Å
19	R	67.6	Low	65.9	Low	187 Å²	187	72.3 Å²	72.3	71%	0.706	38%	0.381	S	S	*	.	H	α-helix	trans	-76.7	-20.3	177.8	-81.3	-179.5	161.4	156.6	-2.8	114.4	H15 L16 T23	H15-R19 VanDerWaalsContact O-CB 3.25Å; H15-R19 WeakPolarHBondContact O-CB 3.38Å; H15-R19 VanDerWaalsContact O-CG 3.29Å; H15-R19 WeakPolarHBondContact O-CG 3.38Å; H15-R19 PolarHBondContact O-N 3.24Å; L16-R19 PolarHBondContact O-N 3.26Å; R19-T23 VanDerWaalsContact C-CG2 3.46Å; R19-T23 WeakPolarHBondContact O-CG2 3.21Å
20	S	69.7	Low	65.7	Low	72 Å²	72	69.5 Å²	69.5	50%	0.503	36%	0.364	S	S	.	.	H	α-helix	trans	-101.3	-59.1	-177.5	56.1	0	0	0	0	113	L16 L17	L16-S20 WeakPolarHBondContact O-CB 3.38Å; L16-S20 PolarHBondContact O-N 3.26Å; L16-S20 PolarHBondContact O-OG 3.04Å; L17-S20 PolarHBondContact O-N 3.21Å; L17-S20 PolarHBondContact O-OG 2.92Å
21	R	61.1	Low	65.7	Low	113 Å²	113	71.5 Å²	71.5	43%	0.426	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-23.9	-169.8	-71.5	-161.8	176.2	166.8	3.3	114.8	L17 T91	L17-R21 PolarHBondContact O-N 3.08Å; R21-T91 VanDerWaalsContact NH1-CG2 3.33Å; R21-T91 PolarHBondContact NH1-OG1 3.04Å
22	F	63.6	Low	65.5	Low	3 Å²	3	75.2 Å²	75.2	1%	0.013	39%	0.387	C	S	.	.			trans	-116.7	31.2	-177.8	-62.7	-83.3	0	0	0	112.7	L17 Q18 N24 L25 L27 L30 L85 I88	L17-F22 PolarHBondContact O-N 3.26Å; Q18-F22 CarbonylContact O-C 3.59Å; F22-N24 PolarHBondContact O-N 3.32Å; F22-L25 HydrophobicContact CB-CB 4.3Å; F22-L25 HydrophobicContact CD1-CB 4.27Å; F22-L25 PolarHBondContact O-N 3.12Å; F22-L27 HydrophobicContact CB-CD2 4.19Å; F22-L27 HydrophobicContact CD2-CD2 4.1Å; F22-L27 HydrophobicContact CG-CD2 4.06Å; F22-L30 HydrophobicContact CD2-CD1 4.42Å; F22-L30 HydrophobicContact CE1-CB 4.4Å; F22-L30 HydrophobicContact CE1-CD1 4.44Å; F22-L30 HydrophobicContact CE2-CD1 3.35Å; F22-L30 HydrophobicContact CZ-CB 4.06Å; F22-L30 HydrophobicContact CZ-CD1 3.37Å; F22-L30 HydrophobicContact CZ-CG 4.28Å; F22-L85 HydrophobicContact CD1-CD2 4.33Å; F22-L85 HydrophobicContact CE1-CD2 3.85Å; F22-I88 HydrophobicContact CD1-CD1 4.49Å; F22-I88 HydrophobicContact CE1-CD1 3.58Å; F22-I88 HydrophobicContact CZ-CD1 3.68Å
23	T	64.9	Low	65.1	Low	79 Å²	79	74.2 Å²	74.2	49%	0.485	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	116.2	178.5	54	0	0	0	0	109.3	Q18 R19 L25	Q18-T23 VanDerWaalsContact O-CA 3.24Å; Q18-T23 WeakPolarHBondContact O-CA 3.21Å; Q18-T23 WeakPolarHBondContact O-CG2 3.26Å; Q18-T23 PolarHBondContact O-N 2.98Å; R19-T23 VanDerWaalsContact C-CG2 3.46Å; R19-T23 WeakPolarHBondContact O-CG2 3.21Å; T23-L25 PolarHBondContact O-N 3.08Å
24	N	61.5	Low	64.3	Low	166 Å²	166	73.5 Å²	73.5	89%	0.888	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	21.2	-176.9	-52.4	-33.3	0	0	0	115.3	F22	F22-N24 PolarHBondContact O-N 3.32Å
25	L	63.4	Low	63.4	Low	27 Å²	27	76.5 Å²	76.5	14%	0.141	40%	0.399	C	S	.	.	S	Bend	trans	-113	140.1	172.8	-68.7	173	0	0	0	110.7	F22 T23 N81 L85	F22-L25 HydrophobicContact CB-CB 4.3Å; F22-L25 HydrophobicContact CD1-CB 4.27Å; F22-L25 PolarHBondContact O-N 3.12Å; T23-L25 PolarHBondContact O-N 3.08Å; L25-N81 HydrophobicContact CD2-CB 3.85Å; L25-N81 VanDerWaalsContact CD2-CG 3.46Å; L25-L85 HydrophobicContact CD1-CD2 4.22Å
26	P	64.7	Low	61.9	Low	85 Å²	85	77 Å²	77	55%	0.552	41%	0.408	S	S	*	.			trans	-62.1	145.5	171	27	-32.5	0	0	0	109.4	L28 P29	P26-L28 PolarHBondContact O-N 3.41Å; P26-P29 WeakPolarHBondContact O-CD 3.45Å
27	L	66.4	Low	59.9	Low	24 Å²	24	77.3 Å²	77.3	13%	0.126	41%	0.41	C	S	.	.	S	Bend	trans	-74.3	-10.8	176.8	-72.2	174.3	0	0	0	113.2	I14 Q18 F22 P29 L30 F97	I14-L27 HydrophobicContact CG2-CD1 4.21Å; Q18-L27 HydrophobicContact CG-CD1 4.1Å; Q18-L27 HydrophobicContact CG-CD2 4.02Å; Q18-L27 HydrophobicContact CG-CG 4.2Å; Q18-L27 VanDerWaalsContact NE2-CD1 3.28Å; F22-L27 HydrophobicContact CB-CD2 4.19Å; F22-L27 HydrophobicContact CD2-CD2 4.1Å; F22-L27 HydrophobicContact CG-CD2 4.06Å; L27-P29 VanDerWaalsContact C-N 3.35Å; L27-L30 WeakPolarHBondContact O-CB 3.34Å; L27-L30 PolarHBondContact O-N 3.47Å; L27-F97 HydrophobicContact CD1-CZ 4.43Å; L27-F97 HydrophobicContact CD2-CE1 4.29Å
28	L	64.8	Low	58.1	Low	115 Å²	115	81.2 Å²	81.2	60%	0.602	44%	0.439	S	S	*	.	H	α-helix	trans	-50.6	-42	-179.3	-161.9	82.3	0	0	0	114.4	P26 L30 L31 L32	P26-L28 PolarHBondContact O-N 3.41Å; L28-L30 PolarHBondContact O-N 3.12Å; L28-L31 WeakPolarHBondContact O-CB 3.4Å; L28-L31 PolarHBondContact O-N 3.44Å; L28-L32 HydrophobicContact CD2-CD1 4.29Å; L28-L32 HydrophobicContact CG-CD1 4.27Å; L28-L32 PolarHBondContact O-N 3.39Å
29	P	62.9	Low	56	Low	21 Å²	21	82.5 Å²	82.5	14%	0.136	46%	0.457	C	S	.	.	H	α-helix	trans	-62.6	-29.5	177.6	-20.9	34.9	0	0	0	113.3	P26 L27 L31 L32 L33 L85	P26-P29 WeakPolarHBondContact O-CD 3.45Å; L27-P29 VanDerWaalsContact C-N 3.35Å; P29-L31 PolarHBondContact O-N 3.49Å; P29-L32 PolarHBondContact O-N 3.1Å; P29-L32 VanDerWaalsContact O-N 3.17Å; P29-L33 WeakPolarHBondContact O-CG 3.46Å; P29-L33 PolarHBondContact O-N 3.13Å; P29-L33 VanDerWaalsContact O-N 3.08Å; P29-L85 HydrophobicContact CB-CD1 3.6Å; P29-L85 HydrophobicContact CB-CD2 3.74Å; P29-L85 HydrophobicContact CB-CG 4.18Å; P29-L85 HydrophobicContact CG-CD1 3.41Å; P29-L85 VanDerWaalsContact CG-CD1 3.41Å; P29-L85 HydrophobicContact CG-CD2 4.02Å; P29-L85 HydrophobicContact CG-CG 4.35Å
30	L	63.7	Low	53.9	Low	1 Å²	1	82.1 Å²	82.1	1%	0.005	47%	0.468	C	S	.	.	H	α-helix	trans	-66.7	-26.5	176	-169.9	137.5	0	0	0	111.5	F22 L27 L28 C94 F97 R98 L101	F22-L30 HydrophobicContact CD2-CD1 4.42Å; F22-L30 HydrophobicContact CE1-CB 4.4Å; F22-L30 HydrophobicContact CE1-CD1 4.44Å; F22-L30 HydrophobicContact CE2-CD1 3.35Å; F22-L30 HydrophobicContact CZ-CB 4.06Å; F22-L30 HydrophobicContact CZ-CD1 3.37Å; F22-L30 HydrophobicContact CZ-CG 4.28Å; L27-L30 WeakPolarHBondContact O-CB 3.34Å; L27-L30 PolarHBondContact O-N 3.47Å; L28-L30 PolarHBondContact O-N 3.12Å; L30-C94 HydrophobicContact CD1-CB 4.18Å; L30-F97 HydrophobicContact CD1-CD1 4.14Å; L30-F97 HydrophobicContact CD2-CD1 3.59Å; L30-F97 HydrophobicContact CD2-CE1 4.08Å; L30-R98 HydrophobicContact CD2-CB 3.98Å; L30-R98 VanDerWaalsContact O-CZ 3.22Å; L30-R98 PolarHBondContact O-NE 3.43Å; L30-R98 PolarHBondContact O-NH2 3.38Å; L30-L101 HydrophobicContact CD2-CD1 4.17Å
31	L	62.9	Low	51.7	Low	57 Å²	57	84.1 Å²	84.1	30%	0.298	48%	0.477	S	S	.	.	H	α-helix	trans	-81.2	-24.1	173.2	-68.7	166.4	0	0	0	113.4	L28 P29 R98 L101 M102	L28-L31 WeakPolarHBondContact O-CB 3.4Å; L28-L31 PolarHBondContact O-N 3.44Å; P29-L31 PolarHBondContact O-N 3.49Å; L31-R98 HydrophobicContact CD2-CG 4.5Å; L31-L101 HydrophobicContact CD2-CB 3.9Å; L31-L101 HydrophobicContact CD2-CD1 4.2Å; L31-L101 HydrophobicContact CG-CD1 4.44Å; L31-M102 HydrophobicContact CD2-CG 4.37Å
32	L	63.4	Low	49.8	Very low	125 Å²	125	87.6 Å²	87.6	65%	0.654	50%	0.498	S	S	*	.	H	α-helix	trans	-91.7	-19.9	-175.5	-67.4	170.6	0	0	0	113.8	L28 P29 S34	L28-L32 HydrophobicContact CD2-CD1 4.29Å; L28-L32 HydrophobicContact CG-CD1 4.27Å; L28-L32 PolarHBondContact O-N 3.39Å; P29-L32 PolarHBondContact O-N 3.1Å; P29-L32 VanDerWaalsContact O-N 3.17Å; L32-S34 PolarHBondContact O-N 3.46Å
33	L	60	Low	47.8	Very low	54 Å²	54	94.6 Å²	94.6	28%	0.283	54%	0.536	S	S	.	.	S	Bend	trans	-64.4	124.1	172.7	-81.1	161.5	0	0	0	108.9	P29 R98	P29-L33 WeakPolarHBondContact O-CG 3.46Å; P29-L33 PolarHBondContact O-N 3.13Å; P29-L33 VanDerWaalsContact O-N 3.08Å; L33-R98 PolarHBondContact O-NE 3.4Å; L33-R98 PolarHBondContact O-NH1 2.99Å; L33-R98 VanDerWaalsContact O-NH1 3.09Å; L33-R98 PolarHBondContact O-NH2 2.88Å
34	S	51.3	Low	45.7	Very low	77 Å²	77	96.2 Å²	96.2	54%	0.538	55%	0.55	S	S	.	*			trans	-72.5	142.9	175.4	49	0	0	0	0	110.3	L32 T36	L32-S34 PolarHBondContact O-N 3.46Å; S34-T36 PolarHBondContact O-N 2.7Å; S34-T36 WeakPolarHBondContact OG-CG2 3.42Å
35	D	47.4	Very low	43.8	Very low	94 Å²	94	95.6 Å²	95.6	50%	0.503	55%	0.546	S	S	.	.			trans	-66	64.5	169.7	-67.6	-20.2	0	0	0	110.2	N37 R98	D35-N37 VanDerWaalsContact C-N 3.31Å; D35-N37 PolarHBondContact O-N 2.84Å; D35-R98 IonicContact OD1-CZ 3.4Å; D35-R98 IonicContact OD1-NH1 3.21Å; D35-R98 PolarHBondContact OD1-NH1 3.14Å
36	T	37.3	Very low	41.7	Very low	101 Å²	101	100.1 Å²	100.1	62%	0.62	58%	0.58	S	S	*	*			trans	-91	73	174.1	50.5	0	0	0	0	108.2	S34	S34-T36 PolarHBondContact O-N 2.7Å; S34-T36 WeakPolarHBondContact OG-CG2 3.42Å
37	N	28.6	Very low	39.7	Very low	130 Å²	130	101.7 Å²	101.7	70%	0.695	59%	0.588	S	S	*	*			trans	-156	58.8	159.9	-90.2	-26.8	0	0	0	109.8	D35	D35-N37 VanDerWaalsContact C-N 3.31Å; D35-N37 PolarHBondContact O-N 2.84Å
38	S	26.5	Very low	37.7	Very low	100 Å²	100	105.4 Å²	105.4	70%	0.699	62%	0.616	S	S	*	*	S	Bend	trans	-135.2	118.5	151.8	59	0	0	0	0	107.6
39	S	25.4	Very low	35.7	Very low	102 Å²	102	108.6 Å²	108.6	71%	0.713	63%	0.625	S	S	*	*			trans	64.3	95.1	179.1	58.9	0	0	0	0	118	T41	S39-T41 VanDerWaalsContact C-N 3.29Å; S39-T41 PolarHBondContact O-N 3.33Å
40	L	22.3	Very low	33.8	Very low	179 Å²	179	114.5 Å²	114.5	94%	0.937	66%	0.655	S	S	*	*			trans	-61.1	93.9	144	-85.7	140.3	0	0	0	108.4
41	T	23.2	Very low	32	Very low	113 Å²	113	124.5 Å²	124.5	69%	0.693	70%	0.695	S	S	*	*			trans	-124.4	112.3	151.5	46.4	0	0	0	0	106.8	S39 N43	S39-T41 VanDerWaalsContact C-N 3.29Å; S39-T41 PolarHBondContact O-N 3.33Å; T41-N43 PolarHBondContact O-N 3.05Å; T41-N43 VanDerWaalsContact O-N 3.11Å
42	Q	22.6	Very low	30.2	Very low	186 Å²	186	126.3 Å²	126.3	87%	0.869	72%	0.717	S	S	*	*			trans	-45	116.6	165.8	-68.4	176.8	-19.7	0	0	108.5
43	N	21.1	Very low	28.3	Very low	151 Å²	151	126.6 Å²	126.6	81%	0.807	72%	0.72	S	S	*	*			trans	-158.5	115.1	148	-93.9	-24	0	0	0	109.3	T41 L45	T41-N43 PolarHBondContact O-N 3.05Å; T41-N43 VanDerWaalsContact O-N 3.11Å; N43-L45 PolarHBondContact O-N 2.95Å; N43-L45 VanDerWaalsContact O-N 3.16Å
44	S	21	Very low	26.6	Very low	113 Å²	113	128.9 Å²	128.9	79%	0.79	74%	0.738	S	S	*	*			trans	-52.2	105.8	166.8	47.3	0	0	0	0	111.2
45	L	21.2	Very low	25.3	Very low	153 Å²	153	129.9 Å²	129.9	80%	0.801	75%	0.745	S	S	*	*			trans	-146.4	102.3	152.7	-108.6	115.6	0	0	0	109.8	N43 T47	N43-L45 PolarHBondContact O-N 2.95Å; N43-L45 VanDerWaalsContact O-N 3.16Å; L45-T47 PolarHBondContact O-N 3.47Å
46	S	20	Very low	24.2	Very low	121 Å²	121	130.5 Å²	130.5	85%	0.846	75%	0.752	S	S	*	*			trans	-57.6	98.3	166.8	49.4	0	0	0	0	110.9
47	T	22	Very low	23.4	Very low	118 Å²	118	131.6 Å²	131.6	72%	0.724	76%	0.759	S	S	*	*			trans	-136.3	90.2	153.8	44.8	0	0	0	0	108.5	L45 K49	L45-T47 PolarHBondContact O-N 3.47Å; T47-K49 PolarHBondContact O-N 3.17Å
48	S	23.9	Very low	23.1	Very low	102 Å²	102	134 Å²	134	71%	0.713	76%	0.764	S	S	*	*			trans	-64.9	98.5	171.2	48.4	0	0	0	0	109.5	N50	S48-N50 PolarHBondContact O-N 2.9Å
49	K	23.8	Very low	23	Very low	182 Å²	182	135.3 Å²	135.3	79%	0.791	77%	0.767	S	S	*	*			trans	-68.4	91.4	158.1	-77.8	-179.4	178.6	174.6	0	107.5	T47 Y51	T47-K49 PolarHBondContact O-N 3.17Å; K49-Y51 VanDerWaalsContact C-N 3.29Å; K49-Y51 PolarHBondContact O-N 3.27Å
50	N	22.1	Very low	22.9	Very low	146 Å²	146	138.4 Å²	138.4	78%	0.781	77%	0.772	S	S	*	*			trans	-62	88.4	167	-76.1	-21.2	0	0	0	109.3	S48	S48-N50 PolarHBondContact O-N 2.9Å
51	Y	25.4	Very low	22.9	Very low	211 Å²	211	137.2 Å²	137.2	83%	0.827	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-83.2	125.4	150.5	-80	-82.9	0	0	0	107.6	K49 N53	K49-Y51 VanDerWaalsContact C-N 3.29Å; K49-Y51 PolarHBondContact O-N 3.27Å; Y51-N53 PolarHBondContact O-N 3.29Å
52	A	24.8	Very low	23	Very low	94 Å²	94	137 Å²	137	78%	0.777	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-49.8	119.3	-164.2	0	0	0	0	0	114
53	N	24.2	Very low	23	Very low	131 Å²	131	135.4 Å²	135.4	70%	0.701	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-54.7	128.5	145.9	-83.3	-24.3	0	0	0	107.9	Y51 S55	Y51-N53 PolarHBondContact O-N 3.29Å; N53-S55 PolarHBondContact O-N 3.4Å
54	P	24.9	Very low	23.4	Very low	102 Å²	102	135.1 Å²	135.1	66%	0.662	77%	0.765	S	S	*	*			trans	-75.1	71.2	161.7	32.2	-29.5	0	0	0	107.5	T56	P54-T56 PolarHBondContact O-N 2.93Å
55	S	23.7	Very low	23.7	Very low	98 Å²	98	133.4 Å²	133.4	69%	0.685	77%	0.765	S	S	*	*			trans	-79.8	66.5	161.8	54.7	0	0	0	0	108.3	N53	N53-S55 PolarHBondContact O-N 3.4Å
56	T	23.4	Very low	23.9	Very low	107 Å²	107	133.6 Å²	133.6	66%	0.656	77%	0.766	S	S	*	*			trans	-95.2	81.6	156.9	50.9	0	0	0	0	106.9	P54 F58	P54-T56 PolarHBondContact O-N 2.93Å; T56-F58 PolarHBondContact O-N 3.42Å
57	T	22.1	Very low	24.2	Very low	124 Å²	124	131.3 Å²	131.3	76%	0.761	76%	0.761	S	S	*	*			trans	-61.3	93.3	155.5	42.1	0	0	0	0	107.1	T59	T57-T59 VanDerWaalsContact C-N 3.29Å; T57-T59 PolarHBondContact O-N 2.91Å
58	F	21.7	Very low	24.4	Very low	182 Å²	182	135.3 Å²	135.3	80%	0.798	77%	0.768	S	S	*	*			trans	-65.1	96.4	160.2	-100.4	-88.3	0	0	0	106.9	T56 M60	T56-F58 PolarHBondContact O-N 3.42Å; F58-M60 VanDerWaalsContact C-N 3.28Å; F58-M60 PolarHBondContact O-N 3.47Å
59	T	23.5	Very low	24.4	Very low	127 Å²	127	137.9 Å²	137.9	78%	0.779	77%	0.774	S	S	*	*			trans	-66.2	92.3	161.3	35.1	0	0	0	0	107.7	T57 N61	T57-T59 VanDerWaalsContact C-N 3.29Å; T57-T59 PolarHBondContact O-N 2.91Å; T59-N61 PolarHBondContact O-N 3.39Å; T59-N61 VanDerWaalsContact O-N 3.08Å
60	M	23.1	Very low	24.3	Very low	166 Å²	166	139.7 Å²	139.7	82%	0.818	78%	0.782	S	S	*	*			trans	-65.5	102.7	161.3	-84.1	-98.9	178.3	0	0	107.3	F58 S62	F58-M60 VanDerWaalsContact C-N 3.28Å; F58-M60 PolarHBondContact O-N 3.47Å; M60-S62 VanDerWaalsContact C-N 3.26Å; M60-S62 PolarHBondContact O-N 2.96Å
61	N	22.8	Very low	24.4	Very low	155 Å²	155	137.2 Å²	137.2	83%	0.829	78%	0.776	S	S	*	*			trans	-61.4	91	162.8	-105.2	-5.6	0	0	0	108.2	T59 N63	T59-N61 PolarHBondContact O-N 3.39Å; T59-N61 VanDerWaalsContact O-N 3.08Å; N61-N63 VanDerWaalsContact C-N 3.34Å; N61-N63 PolarHBondContact O-N 3.27Å
62	S	26.3	Very low	24.4	Very low	107 Å²	107	132.5 Å²	132.5	75%	0.748	77%	0.774	S	S	*	*			trans	-90.6	72.2	167.9	61.2	0	0	0	0	109.7	M60	M60-S62 VanDerWaalsContact C-N 3.26Å; M60-S62 PolarHBondContact O-N 2.96Å
63	N	23	Very low	24.3	Very low	153 Å²	153	136 Å²	136	82%	0.818	78%	0.778	S	S	*	*			trans	-104.3	70.5	157.8	-88.1	-7.7	0	0	0	108.1	N61	N61-N63 VanDerWaalsContact C-N 3.34Å; N61-N63 PolarHBondContact O-N 3.27Å
64	I	29.4	Very low	24.4	Very low	146 Å²	146	135.2 Å²	135.2	75%	0.749	78%	0.778	S	S	*	*			trans	-137.2	102.8	162.4	-62	178.5	0	0	0	106.2	L66	I64-L66 HydrophobicContact CG2-CD1 3.97Å; I64-L66 PolarHBondContact O-N 3.27Å
65	G	26.2	Very low	24.4	Very low	77 Å²	77	137.2 Å²	137.2	79%	0.794	78%	0.784	S	S	*	*			trans	-67.6	115	168.2	0	0	0	0	0	109
66	L	26.5	Very low	24.6	Very low	157 Å²	157	142 Å²	142	82%	0.822	79%	0.788	S	S	*	*			trans	-156.4	118	159.7	-102.1	125.4	0	0	0	109.9	I64	I64-L66 HydrophobicContact CG2-CD1 3.97Å; I64-L66 PolarHBondContact O-N 3.27Å
67	G	26.2	Very low	25.2	Very low	72 Å²	72	142.2 Å²	142.2	74%	0.742	79%	0.785	S	S	*	*				61.8	100.8	129	0	0	0	0	0	117.8	N69	G67-N69 PolarHBondContact O-N 3.29Å
68	K	24.9	Very low	26.1	Very low	203 Å²	203	142.4 Å²	142.4	88%	0.883	78%	0.777	S	S	*	*			trans	-13.9	109.8	149.2	-61.6	173	179.3	177.2	0	114.2
69	N	23.7	Very low	27	Very low	155 Å²	155	137.7 Å²	137.7	83%	0.829	77%	0.772	S	S	*	*			trans	-171.7	88.7	138	-90.4	-15.6	0	0	0	109	G67 S71	G67-N69 PolarHBondContact O-N 3.29Å; N69-S71 PolarHBondContact O-N 3.34Å
70	K	23.3	Very low	28.1	Very low	221 Å²	221	136.4 Å²	136.4	96%	0.961	76%	0.761	S	S	*	*			trans	-84.6	96.9	168	-81.9	-179.5	176	177.3	0	108.3
71	S	24.2	Very low	29.1	Very low	93 Å²	93	130.9 Å²	130.9	65%	0.65	73%	0.734	S	S	*	*			trans	-137.3	121.7	155.6	48.9	0	0	0	0	109.2	N69	N69-S71 PolarHBondContact O-N 3.34Å
72	S	25	Very low	30.3	Very low	112 Å²	112	130.5 Å²	130.5	78%	0.783	72%	0.721	S	S	*	*			trans	52.8	69.6	164	63	0	0	0	0	118.9
73	L	23.3	Very low	31.3	Very low	167 Å²	167	128.5 Å²	128.5	87%	0.874	71%	0.707	S	S	*	*			trans	-108.6	99.6	139.1	-91.3	101.3	0	0	0	107.8	N75	L73-N75 PolarHBondContact O-N 2.71Å
74	T	24.8	Very low	32.6	Very low	115 Å²	115	129.9 Å²	129.9	71%	0.706	70%	0.701	S	S	*	*			trans	-62.5	105.1	166.5	48.2	0	0	0	0	108	Y76	T74-Y76 PolarHBondContact O-N 2.92Å
75	N	25.1	Very low	33.5	Very low	145 Å²	145	123.4 Å²	123.4	78%	0.775	67%	0.668	S	S	*	*			trans	-53.5	104.4	166.1	-89.6	-16.2	0	0	0	108.6	L73 N77	L73-N75 PolarHBondContact O-N 2.71Å; N75-N77 PolarHBondContact O-N 2.77Å
76	Y	29.2	Very low	34.7	Very low	198 Å²	198	126.1 Å²	126.1	78%	0.776	66%	0.664	S	S	*	*			trans	-63.3	105.1	167	-97.4	-94	0	0	0	107.7	T74 H78	T74-Y76 PolarHBondContact O-N 2.92Å; Y76-H78 PolarHBondContact O-N 2.67Å
77	N	34.9	Very low	35.9	Very low	111 Å²	111	124.7 Å²	124.7	59%	0.594	66%	0.657	S	S	*	*			trans	-62.9	74.9	172.2	-76.8	-31.8	0	0	0	110.4	N75 A79 N80	N75-N77 PolarHBondContact O-N 2.77Å; N77-A79 PolarHBondContact O-N 2.97Å; N77-N80 HydrophobicContact CB-CB 4.29Å; N77-N80 PolarHBondContact O-N 2.87Å
78	H	40.9	Very low	37.3	Very low	128 Å²	128	122.7 Å²	122.7	59%	0.593	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-26.3	178.6	-116.9	-71.1	0	0	0	112.4	Y76 N80 N81	Y76-H78 PolarHBondContact O-N 2.67Å; H78-N80 PolarHBondContact O-N 3.22Å; H78-N81 PolarHBondContact O-N 3.42Å
79	A	41.5	Very low	38.8	Very low	84 Å²	84	122.2 Å²	122.2	69%	0.694	62%	0.623	S	S	*	*	H	α-helix	trans	-67.9	-30.9	177.3	0	0	0	0	0	113.6	N77 N81	N77-A79 PolarHBondContact O-N 2.97Å; A79-N81 VanDerWaalsContact C-N 3.31Å; A79-N81 PolarHBondContact O-N 3.07Å
80	N	45.8	Very low	40.6	Very low	100 Å²	100	116.7 Å²	116.7	54%	0.535	59%	0.594	S	S	.	*	H	α-helix	trans	-79.3	-11.1	179.8	-79.7	-7.1	0	0	0	113.8	N77 H78 S83	N77-N80 HydrophobicContact CB-CB 4.29Å; N77-N80 PolarHBondContact O-N 2.87Å; H78-N80 PolarHBondContact O-N 3.22Å; N80-S83 PolarHBondContact O-OG 3.11Å
81	N	44.8	Very low	42.7	Very low	50 Å²	50	108 Å²	108	27%	0.267	56%	0.56	S	S	.	*	H	α-helix	trans	-83.2	-29.2	177.6	-87.4	-14.8	0	0	0	112.7	L25 H78 A79 R84 L85	L25-N81 HydrophobicContact CD2-CB 3.85Å; L25-N81 VanDerWaalsContact CD2-CG 3.46Å; H78-N81 PolarHBondContact O-N 3.42Å; A79-N81 VanDerWaalsContact C-N 3.31Å; A79-N81 PolarHBondContact O-N 3.07Å; N81-R84 PolarHBondContact O-N 3.45Å; N81-L85 WeakPolarHBondContact O-CG 3.47Å
82	W	46.8	Very low	44.8	Very low	147 Å²	147	112.4 Å²	112.4	56%	0.557	57%	0.567	S	S	*	*	H	α-helix	trans	-76.8	-31.6	-178.6	-71.6	62.2	0	0	0	112.6	R84 L85 N86	W82-R84 VanDerWaalsContact C-N 3.33Å; W82-R84 PolarHBondContact O-N 3Å; W82-L85 WeakPolarHBondContact O-CB 3.47Å; W82-L85 PolarHBondContact O-N 3.42Å; W82-N86 PolarHBondContact O-N 3.11Å
83	S	48.2	Very low	46.9	Very low	65 Å²	65	113.4 Å²	113.4	46%	0.455	56%	0.559	S	S	.	*	H	α-helix	trans	-66.5	-31	173	52.5	0	0	0	0	113.2	N80 L85	N80-S83 PolarHBondContact O-OG 3.11Å; S83-L85 VanDerWaalsContact C-N 3.3Å; S83-L85 PolarHBondContact O-N 3.02Å
84	R	49.9	Very low	49	Very low	181 Å²	181	105.6 Å²	105.6	68%	0.683	52%	0.518	S	S	*	.	H	α-helix	trans	-69	-28.1	172.9	-66	-179.4	101.4	141.5	3.9	112.8	N81 W82	N81-R84 PolarHBondContact O-N 3.45Å; W82-R84 VanDerWaalsContact C-N 3.33Å; W82-R84 PolarHBondContact O-N 3Å
85	L	49.5	Very low	51.2	Low	11 Å²	11	101.1 Å²	101.1	6%	0.058	49%	0.492	C	S	.	.	H	α-helix	trans	-78	-32.5	-178.8	-69.8	162.5	0	0	0	112.4	F22 L25 P29 N81 W82 S83 N87 I88	F22-L85 HydrophobicContact CD1-CD2 4.33Å; F22-L85 HydrophobicContact CE1-CD2 3.85Å; L25-L85 HydrophobicContact CD1-CD2 4.22Å; P29-L85 HydrophobicContact CB-CD1 3.6Å; P29-L85 HydrophobicContact CB-CD2 3.74Å; P29-L85 HydrophobicContact CB-CG 4.18Å; P29-L85 HydrophobicContact CG-CD1 3.41Å; P29-L85 VanDerWaalsContact CG-CD1 3.41Å; P29-L85 HydrophobicContact CG-CD2 4.02Å; P29-L85 HydrophobicContact CG-CG 4.35Å; N81-L85 WeakPolarHBondContact O-CG 3.47Å; W82-L85 WeakPolarHBondContact O-CB 3.47Å; W82-L85 PolarHBondContact O-N 3.42Å; S83-L85 VanDerWaalsContact C-N 3.3Å; S83-L85 PolarHBondContact O-N 3.02Å; L85-N87 PolarHBondContact O-N 3.15Å; L85-I88 HydrophobicContact CD2-CD1 3.7Å; L85-I88 WeakPolarHBondContact O-CB 3.42Å; L85-I88 PolarHBondContact O-N 3.18Å; L85-I88 VanDerWaalsContact O-N 3.14Å
86	N	50.8	Low	53.4	Low	134 Å²	134	97 Å²	97	72%	0.717	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.4	175.7	-74.5	-9	0	0	0	113.7	W82	W82-N86 PolarHBondContact O-N 3.11Å
87	N	51.7	Low	55.5	Low	126 Å²	126	88.2 Å²	88.2	67%	0.674	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	5.5	176.1	-79	-6	0	0	0	113.6	L85 Y89	L85-N87 PolarHBondContact O-N 3.15Å; N87-Y89 PolarHBondContact O-N 3.44Å
88	I	55.6	Low	57.3	Low	31 Å²	31	83 Å²	83	16%	0.159	41%	0.413	C	S	.	.			trans	-83.8	94.7	175	-56.8	178.6	0	0	0	107.9	F22 L85 D90	F22-I88 HydrophobicContact CD1-CD1 4.49Å; F22-I88 HydrophobicContact CE1-CD1 3.58Å; F22-I88 HydrophobicContact CZ-CD1 3.68Å; L85-I88 HydrophobicContact CD2-CD1 3.7Å; L85-I88 WeakPolarHBondContact O-CB 3.42Å; L85-I88 PolarHBondContact O-N 3.18Å; L85-I88 VanDerWaalsContact O-N 3.14Å; I88-D90 PolarHBondContact O-N 3.22Å
89	Y	57	Low	58.9	Low	192 Å²	192	84.1 Å²	84.1	75%	0.753	41%	0.412	S	S	*	.			trans	-56.3	130.8	167.7	-66.2	-82.4	0	0	0	109.7	N87 T91	N87-Y89 PolarHBondContact O-N 3.44Å; Y89-T91 VanDerWaalsContact C-N 3.32Å; Y89-T91 PolarHBondContact O-N 2.7Å
90	D	60.4	Low	60.5	Low	39 Å²	39	82 Å²	82	21%	0.209	39%	0.388	C	S	.	.			trans	-68.6	89.9	-178.4	-154.2	-7.6	0	0	0	110	I88 R98	I88-D90 PolarHBondContact O-N 3.22Å; D90-R98 IonicContact OD1-NH1 3.98Å; D90-R98 IonicContact OD2-CZ 3.35Å; D90-R98 IonicContact OD2-NH1 3.45Å; D90-R98 PolarHBondContact OD2-NH1 3.39Å; D90-R98 IonicContact OD2-NH2 3.34Å
91	T	67.3	Low	62	Low	40 Å²	40	77.5 Å²	77.5	25%	0.245	36%	0.364	C	S	.	.			trans	-75.2	153.4	177.1	52.1	0	0	0	0	110.9	R21 Y89 E93 C94 S95	R21-T91 VanDerWaalsContact NH1-CG2 3.33Å; R21-T91 PolarHBondContact NH1-OG1 3.04Å; Y89-T91 VanDerWaalsContact C-N 3.32Å; Y89-T91 PolarHBondContact O-N 2.7Å; T91-E93 PolarHBondContact O-N 3.41Å; T91-C94 PolarHBondContact O-N 2.8Å; T91-C94 PolarHBondContact OG1-SG 2.84Å; T91-S95 PolarHBondContact O-N 3.44Å; T91-S95 VanDerWaalsContact O-N 3.07Å; T91-S95 PolarHBondContact O-OG 3.44Å
92	K	69.5	Low	63.4	Low	184 Å²	184	78.9 Å²	78.9	80%	0.8	37%	0.37	S	S	*	.	H	α-helix	trans	-51.3	-32.1	174.8	-72.7	-175.3	179	179.3	0	112.9	S95 S96	K92-S95 WeakPolarHBondContact CA-OG 3.48Å; K92-S95 PolarHBondContact O-OG 3.48Å; K92-S95 VanDerWaalsContact O-OG 3.06Å; K92-S96 VanDerWaalsContact O-CB 3.27Å; K92-S96 WeakPolarHBondContact O-CB 3.48Å; K92-S96 PolarHBondContact O-N 3.01Å; K92-S96 PolarHBondContact O-OG 3.3Å
93	E	68	Low	64.9	Low	134 Å²	134	74.9 Å²	74.9	63%	0.626	37%	0.365	S	S	*	.	H	α-helix	trans	-69.1	-45.6	175.4	-67.5	178.9	172	0	0	112.6	T91 S96 F97	T91-E93 PolarHBondContact O-N 3.41Å; E93-S96 PolarHBondContact O-N 3.39Å; E93-F97 WeakPolarHBondContact O-CB 3.42Å; E93-F97 PolarHBondContact O-N 3.48Å
94	C	67.4	Low	66.1	Low	2 Å²	2	76.6 Å²	76.6	1%	0.014	36%	0.362	C	S	.	.	H	α-helix	trans	-63.5	-42	177.2	-69.4	0	0	0	0	112.3	L30 T91 F97 R98	L30-C94 HydrophobicContact CD1-CB 4.18Å; T91-C94 PolarHBondContact O-N 2.8Å; T91-C94 PolarHBondContact OG1-SG 2.84Å; C94-F97 PolarHBondContact O-N 2.82Å; C94-R98 VanDerWaalsContact O-CB 3.31Å; C94-R98 WeakPolarHBondContact O-CB 3.35Å; C94-R98 PolarHBondContact O-N 3.21Å
95	S	71	Confident	67.2	Low	22 Å²	22	76.5 Å²	76.5	15%	0.154	36%	0.361	C	S	.	.	H	α-helix	trans	-69.9	-35.6	176.6	55	0	0	0	0	113	T91 K92 R99	T91-S95 PolarHBondContact O-N 3.44Å; T91-S95 VanDerWaalsContact O-N 3.07Å; T91-S95 PolarHBondContact O-OG 3.44Å; K92-S95 WeakPolarHBondContact CA-OG 3.48Å; K92-S95 PolarHBondContact O-OG 3.48Å; K92-S95 VanDerWaalsContact O-OG 3.06Å; S95-R99 PolarHBondContact O-N 3.21Å; S95-R99 PolarHBondContact O-NE 3.21Å
96	S	71	Confident	68.5	Low	59 Å²	59	78.7 Å²	78.7	41%	0.413	38%	0.377	S	S	.	.	H	α-helix	trans	-67.3	-42.4	172.8	-57.8	0	0	0	0	110.9	K92 E93 R99 L100	K92-S96 VanDerWaalsContact O-CB 3.27Å; K92-S96 WeakPolarHBondContact O-CB 3.48Å; K92-S96 PolarHBondContact O-N 3.01Å; K92-S96 PolarHBondContact O-OG 3.3Å; E93-S96 PolarHBondContact O-N 3.39Å; S96-R99 PolarHBondContact O-N 3.19Å; S96-L100 WeakPolarHBondContact O-CB 3.25Å; S96-L100 PolarHBondContact O-N 3.14Å
97	F	72.7	Confident	69.8	Low	12 Å²	12	78.2 Å²	78.2	5%	0.053	38%	0.382	C	S	.	.	H	α-helix	trans	-65.6	-41.3	176.2	-177	-118.7	0	0	0	112.6	I14 L17 L27 L30 E93 C94 L100 L101	I14-F97 HydrophobicContact CB-CE2 4.23Å; I14-F97 HydrophobicContact CB-CZ 4.23Å; I14-F97 HydrophobicContact CD1-CE2 4.27Å; I14-F97 HydrophobicContact CG1-CD2 4.48Å; I14-F97 HydrophobicContact CG1-CE2 3.27Å; I14-F97 HydrophobicContact CG1-CZ 3.55Å; I14-F97 HydrophobicContact CG2-CZ 4.31Å; L17-F97 HydrophobicContact CD1-CB 3.79Å; L17-F97 HydrophobicContact CD1-CD1 3.59Å; L17-F97 HydrophobicContact CD1-CD2 3.81Å; L17-F97 HydrophobicContact CD1-CE1 4.12Å; L17-F97 HydrophobicContact CD1-CE2 4.35Å; L17-F97 HydrophobicContact CD1-CG 3.42Å; L17-F97 VanDerWaalsContact CD1-CG 3.42Å; L17-F97 HydrophobicContact CD1-CZ 4.49Å; L27-F97 HydrophobicContact CD1-CZ 4.43Å; L27-F97 HydrophobicContact CD2-CE1 4.29Å; L30-F97 HydrophobicContact CD1-CD1 4.14Å; L30-F97 HydrophobicContact CD2-CD1 3.59Å; L30-F97 HydrophobicContact CD2-CE1 4.08Å; E93-F97 WeakPolarHBondContact O-CB 3.42Å; E93-F97 PolarHBondContact O-N 3.48Å; C94-F97 PolarHBondContact O-N 2.82Å; F97-L100 PolarHBondContact O-N 3.3Å; F97-L101 HydrophobicContact CD1-CD1 4.02Å; F97-L101 HydrophobicContact CD1-CG 4.49Å; F97-L101 HydrophobicContact CE1-CD1 3.45Å; F97-L101 VanDerWaalsContact CE1-CD1 3.45Å; F97-L101 HydrophobicContact CE1-CG 4.04Å; F97-L101 HydrophobicContact CE2-CD1 4.35Å; F97-L101 HydrophobicContact CE2-CD2 4.2Å; F97-L101 HydrophobicContact CE2-CG 4.02Å; F97-L101 HydrophobicContact CZ-CD1 3.63Å; F97-L101 HydrophobicContact CZ-CD2 3.9Å; F97-L101 HydrophobicContact CZ-CG 3.75Å; F97-L101 WeakPolarHBondContact O-CG 3.32Å; F97-L101 PolarHBondContact O-N 3.41Å
98	R	74.1	Confident	71.1	Confident	3 Å²	3	81.5 Å²	81.5	1%	0.011	39%	0.385	C	S	.	.	H	α-helix	trans	-58.8	-48.3	172.7	-178.3	-172.2	-71.5	136	12.6	110.8	L30 L31 L33 D35 D90 C94 L100 L101 M102	L30-R98 HydrophobicContact CD2-CB 3.98Å; L30-R98 VanDerWaalsContact O-CZ 3.22Å; L30-R98 PolarHBondContact O-NE 3.43Å; L30-R98 PolarHBondContact O-NH2 3.38Å; L31-R98 HydrophobicContact CD2-CG 4.5Å; L33-R98 PolarHBondContact O-NE 3.4Å; L33-R98 PolarHBondContact O-NH1 2.99Å; L33-R98 VanDerWaalsContact O-NH1 3.09Å; L33-R98 PolarHBondContact O-NH2 2.88Å; D35-R98 IonicContact OD1-CZ 3.4Å; D35-R98 IonicContact OD1-NH1 3.21Å; D35-R98 PolarHBondContact OD1-NH1 3.14Å; D90-R98 IonicContact OD1-NH1 3.98Å; D90-R98 IonicContact OD2-CZ 3.35Å; D90-R98 IonicContact OD2-NH1 3.45Å; D90-R98 PolarHBondContact OD2-NH1 3.39Å; D90-R98 IonicContact OD2-NH2 3.34Å; C94-R98 VanDerWaalsContact O-CB 3.31Å; C94-R98 WeakPolarHBondContact O-CB 3.35Å; C94-R98 PolarHBondContact O-N 3.21Å; R98-L100 PolarHBondContact O-N 3.43Å; R98-L101 PolarHBondContact O-N 3.23Å; R98-M102 VanDerWaalsContact CD-CE 3.42Å; R98-M102 HydrophobicContact CG-CE 3.45Å; R98-M102 VanDerWaalsContact CG-CE 3.45Å; R98-M102 HydrophobicContact CG-CG 4.46Å; R98-M102 WeakPolarHBondContact O-CG 3.47Å; R98-M102 PolarHBondContact O-N 2.88Å
99	R	74	Confident	72.4	Confident	151 Å²	151	86.1 Å²	86.1	57%	0.57	42%	0.42	S	S	*	.	H	α-helix	trans	-57.8	-40.1	176.3	-84.9	-180	-82	156.3	-6.2	112	S95 S96 M102 S103	S95-R99 PolarHBondContact O-N 3.21Å; S95-R99 PolarHBondContact O-NE 3.21Å; S96-R99 PolarHBondContact O-N 3.19Å; R99-M102 PolarHBondContact O-N 3.22Å; R99-S103 WeakPolarHBondContact O-CB 3.22Å; R99-S103 PolarHBondContact O-N 3.37Å; R99-S103 PolarHBondContact O-OG 3.23Å
100	L	75.9	Confident	73.8	Confident	39 Å²	39	80.8 Å²	80.8	20%	0.204	40%	0.403	C	S	.	.	H	α-helix	trans	-69.4	-43.2	178.4	-156.9	144.6	0	0	0	111.5	I10 S96 F97 R98 M102 S103 Y104	I10-L100 HydrophobicContact CB-CD2 4.25Å; I10-L100 HydrophobicContact CD1-CD1 4.43Å; I10-L100 HydrophobicContact CD1-CD2 3.96Å; I10-L100 HydrophobicContact CG1-CD1 4.15Å; I10-L100 HydrophobicContact CG1-CD2 3.89Å; I10-L100 HydrophobicContact CG2-CD2 3.37Å; S96-L100 WeakPolarHBondContact O-CB 3.25Å; S96-L100 PolarHBondContact O-N 3.14Å; F97-L100 PolarHBondContact O-N 3.3Å; R98-L100 PolarHBondContact O-N 3.43Å; L100-M102 VanDerWaalsContact C-N 3.34Å; L100-M102 PolarHBondContact O-N 2.66Å; L100-S103 WeakPolarHBondContact CA-OG 3.17Å; L100-S103 PolarHBondContact O-N 2.87Å; L100-S103 PolarHBondContact O-OG 3.29Å; L100-Y104 HydrophobicContact CD2-CD2 3.71Å; L100-Y104 HydrophobicContact CD2-CE2 3.83Å; L100-Y104 HydrophobicContact CG-CD2 4.16Å; L100-Y104 HydrophobicContact CG-CE2 4.13Å; L100-Y104 VanDerWaalsContact O-CD2 3.3Å; L100-Y104 WeakPolarHBondContact O-CD2 3.47Å; L100-Y104 PolarHBondContact O-N 2.93Å; L100-Y104 VanDerWaalsContact O-N 3.1Å
101	L	76	Confident	75.4	Confident	5 Å²	5	83.6 Å²	83.6	3%	0.026	42%	0.418	C	S	.	.	H	α-helix	trans	-61	-42.7	171.7	-72.8	177.3	0	0	0	111.9	L30 L31 F97 R98 Y104 W105	L30-L101 HydrophobicContact CD2-CD1 4.17Å; L31-L101 HydrophobicContact CD2-CB 3.9Å; L31-L101 HydrophobicContact CD2-CD1 4.2Å; L31-L101 HydrophobicContact CG-CD1 4.44Å; F97-L101 HydrophobicContact CD1-CD1 4.02Å; F97-L101 HydrophobicContact CD1-CG 4.49Å; F97-L101 HydrophobicContact CE1-CD1 3.45Å; F97-L101 VanDerWaalsContact CE1-CD1 3.45Å; F97-L101 HydrophobicContact CE1-CG 4.04Å; F97-L101 HydrophobicContact CE2-CD1 4.35Å; F97-L101 HydrophobicContact CE2-CD2 4.2Å; F97-L101 HydrophobicContact CE2-CG 4.02Å; F97-L101 HydrophobicContact CZ-CD1 3.63Å; F97-L101 HydrophobicContact CZ-CD2 3.9Å; F97-L101 HydrophobicContact CZ-CG 3.75Å; F97-L101 WeakPolarHBondContact O-CG 3.32Å; F97-L101 PolarHBondContact O-N 3.41Å; R98-L101 PolarHBondContact O-N 3.23Å; L101-Y104 PolarHBondContact O-N 2.95Å; L101-W105 HydrophobicContact CD2-CD2 4.22Å; L101-W105 HydrophobicContact CD2-CE3 3.83Å; L101-W105 HydrophobicContact CD2-CH2 4.07Å; L101-W105 HydrophobicContact CD2-CZ2 4.44Å; L101-W105 HydrophobicContact CD2-CZ3 3.75Å; L101-W105 WeakPolarHBondContact O-CB 3.23Å; L101-W105 PolarHBondContact O-N 3.31Å
102	M	75.6	Confident	76.6	Confident	79 Å²	79	84.7 Å²	84.7	39%	0.389	44%	0.437	S	S	.	.	H	α-helix	trans	-64	-41.2	176.3	-69.7	-160.6	-144.3	0	0	111.7	L31 R98 R99 L100 Y104 C106	L31-M102 HydrophobicContact CD2-CG 4.37Å; R98-M102 VanDerWaalsContact CD-CE 3.42Å; R98-M102 HydrophobicContact CG-CE 3.45Å; R98-M102 VanDerWaalsContact CG-CE 3.45Å; R98-M102 HydrophobicContact CG-CG 4.46Å; R98-M102 WeakPolarHBondContact O-CG 3.47Å; R98-M102 PolarHBondContact O-N 2.88Å; R99-M102 PolarHBondContact O-N 3.22Å; L100-M102 VanDerWaalsContact C-N 3.34Å; L100-M102 PolarHBondContact O-N 2.66Å; M102-Y104 VanDerWaalsContact C-N 3.3Å; M102-Y104 PolarHBondContact O-N 2.95Å; M102-C106 HydrophobicContact CB-CB 4.38Å; M102-C106 WeakPolarHBondContact O-CB 3.38Å; M102-C106 PolarHBondContact O-N 3.44Å
103	S	77.5	Confident	77.8	Confident	64 Å²	64	79 Å²	79	45%	0.448	43%	0.425	S	S	.	.	H	α-helix	trans	-66.9	-32.4	-179	65.6	0	0	0	0	113.1	R99 L100	R99-S103 WeakPolarHBondContact O-CB 3.22Å; R99-S103 PolarHBondContact O-N 3.37Å; R99-S103 PolarHBondContact O-OG 3.23Å; L100-S103 WeakPolarHBondContact CA-OG 3.17Å; L100-S103 PolarHBondContact O-N 2.87Å; L100-S103 PolarHBondContact O-OG 3.29Å
104	Y	73.8	Confident	78.9	Confident	100 Å²	100	76.7 Å²	76.7	39%	0.392	41%	0.414	S	S	.	.	H	α-helix	trans	-90.1	-38.4	179.7	-82.3	-80.2	0	0	0	113.8	I10 L100 L101 M102	I10-Y104 HydrophobicContact CD1-CE2 3.61Å; I10-Y104 WeakPolarHBondContact CD1-OH 3.27Å; L100-Y104 HydrophobicContact CD2-CD2 3.71Å; L100-Y104 HydrophobicContact CD2-CE2 3.83Å; L100-Y104 HydrophobicContact CG-CD2 4.16Å; L100-Y104 HydrophobicContact CG-CE2 4.13Å; L100-Y104 VanDerWaalsContact O-CD2 3.3Å; L100-Y104 WeakPolarHBondContact O-CD2 3.47Å; L100-Y104 PolarHBondContact O-N 2.93Å; L100-Y104 VanDerWaalsContact O-N 3.1Å; L101-Y104 PolarHBondContact O-N 2.95Å; M102-Y104 VanDerWaalsContact C-N 3.3Å; M102-Y104 PolarHBondContact O-N 2.95Å
105	W	72.1	Confident	79.9	Confident	179 Å²	179	81.4 Å²	81.4	68%	0.678	44%	0.437	S	S	*	.	H	α-helix	trans	-115.7	-16.1	-168.1	-63.1	-9.1	0	0	0	114.9	L101	L101-W105 HydrophobicContact CD2-CD2 4.22Å; L101-W105 HydrophobicContact CD2-CE3 3.83Å; L101-W105 HydrophobicContact CD2-CH2 4.07Å; L101-W105 HydrophobicContact CD2-CZ2 4.44Å; L101-W105 HydrophobicContact CD2-CZ3 3.75Å; L101-W105 WeakPolarHBondContact O-CB 3.23Å; L101-W105 PolarHBondContact O-N 3.31Å
106	C	76.8	Confident	80.7	Confident	58 Å²	58	86 Å²	86	39%	0.392	46%	0.459	S	S	.	.	S	Bend	trans	-81.9	136.6	172.8	-67.3	0	0	0	0	110.4	M102 R108	M102-C106 HydrophobicContact CB-CB 4.38Å; M102-C106 WeakPolarHBondContact O-CB 3.38Å; M102-C106 PolarHBondContact O-N 3.44Å; C106-R108 PolarHBondContact O-N 2.88Å
107	P	78	Confident	81.7	Confident	124 Å²	124	88.1 Å²	88.1	81%	0.805	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-59.5	131.2	172.2	23.5	-30.5	0	0	0	109.3
108	R	78.7	Confident	82.3	Confident	195 Å²	195	91.5 Å²	91.5	74%	0.736	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-67.6	141.8	176.4	-66.3	-177.8	-178.9	162.4	0.4	108.9	C106 I110	C106-R108 PolarHBondContact O-N 2.88Å; R108-I110 PolarHBondContact O-N 3.35Å
109	S	83.4	Confident	82.7	Confident	128 Å²	128	96 Å²	96	90%	0.895	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-66.3	124.4	169.1	51.2	0	0	0	0	108.7
110	I	87.6	Confident	83.2	Confident	79 Å²	79	92.1 Å²	92.1	41%	0.405	50%	0.498	S	S	.	.			trans	-118.2	138.2	-179.8	-63.4	168.9	0	0	0	107.3	R108 Q114 M115	R108-I110 PolarHBondContact O-N 3.35Å; I110-Q114 HydrophobicContact CG2-CB 3.55Å; I110-Q114 HydrophobicContact CG2-CG 3.53Å; I110-M115 HydrophobicContact CG2-CB 4.46Å
111	N	93.8	Very high	83.6	Confident	99 Å²	99	98.7 Å²	98.7	53%	0.529	53%	0.525	S	S	.	.			trans	-78	163.2	177	68.4	34.5	0	0	0	111	A113 Q114 M115	N111-A113 VanDerWaalsContact C-N 3.26Å; N111-A113 PolarHBondContact O-N 3.25Å; N111-A113 PolarHBondContact OD1-N 3.33Å; N111-Q114 PolarHBondContact O-N 3.47Å; N111-Q114 VanDerWaalsContact OD1-CB 3.26Å; N111-Q114 WeakPolarHBondContact OD1-CB 3.42Å; N111-Q114 PolarHBondContact OD1-N 2.67Å; N111-M115 PolarHBondContact O-N 2.97Å
112	G	92.6	Very high	83.7	Confident	62 Å²	62	99.7 Å²	99.7	64%	0.639	53%	0.533	S	S	*	.	H	α-helix	trans	-61.5	-32	-176.8	0	0	0	0	0	114.2	L116	G112-L116 PolarHBondContact O-N 2.92Å; G112-L116 VanDerWaalsContact O-N 3.1Å
113	A	93.3	Very high	84.2	Confident	65 Å²	65	98.9 Å²	98.9	54%	0.537	54%	0.535	S	S	.	.	H	α-helix	trans	-69	-42.5	179	0	0	0	0	0	111.9	N111 L116 L117	N111-A113 VanDerWaalsContact C-N 3.26Å; N111-A113 PolarHBondContact O-N 3.25Å; N111-A113 PolarHBondContact OD1-N 3.33Å; A113-L116 PolarHBondContact O-N 3.27Å; A113-L117 WeakPolarHBondContact O-CG 3.46Å; A113-L117 PolarHBondContact O-N 2.79Å
114	Q	91.4	Very high	84.8	Confident	86 Å²	86	100 Å²	100	40%	0.402	53%	0.53	S	S	.	.	H	α-helix	trans	-68.7	-39.4	177	179.9	178.7	-14.2	0	0	111.3	I110 N111 L116 L117 E118	I110-Q114 HydrophobicContact CG2-CB 3.55Å; I110-Q114 HydrophobicContact CG2-CG 3.53Å; N111-Q114 PolarHBondContact O-N 3.47Å; N111-Q114 VanDerWaalsContact OD1-CB 3.26Å; N111-Q114 WeakPolarHBondContact OD1-CB 3.42Å; N111-Q114 PolarHBondContact OD1-N 2.67Å; Q114-L116 VanDerWaalsContact C-N 3.31Å; Q114-L116 PolarHBondContact O-N 2.78Å; Q114-L117 PolarHBondContact O-N 3.42Å; Q114-L117 VanDerWaalsContact O-N 3.16Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.31Å; Q114-E118 PolarHBondContact NE2-OE1 3.01Å; Q114-E118 WeakPolarHBondContact O-CG 3.41Å; Q114-E118 PolarHBondContact O-N 3.09Å
115	M	88	Confident	85.8	Confident	101 Å²	101	97.3 Å²	97.3	50%	0.498	53%	0.525	S	S	.	.	H	α-helix	trans	-58.2	-43.4	173.4	-175.4	179.6	173.5	0	0	111.6	I110 N111 L117 E118 E119	I110-M115 HydrophobicContact CG2-CB 4.46Å; N111-M115 PolarHBondContact O-N 2.97Å; M115-L117 PolarHBondContact O-N 2.81Å; M115-E118 PolarHBondContact O-N 3.35Å; M115-E119 PolarHBondContact O-N 2.91Å
116	L	89.4	Confident	86.9	Confident	117 Å²	117	88.8 Å²	88.8	61%	0.613	49%	0.493	S	S	*	.	H	α-helix	trans	-62.6	-41.2	175.5	-173.6	78	0	0	0	112.3	G112 A113 Q114 E118 E119 S120	G112-L116 PolarHBondContact O-N 2.92Å; G112-L116 VanDerWaalsContact O-N 3.1Å; A113-L116 PolarHBondContact O-N 3.27Å; Q114-L116 VanDerWaalsContact C-N 3.31Å; Q114-L116 PolarHBondContact O-N 2.78Å; L116-E118 VanDerWaalsContact C-N 3.33Å; L116-E119 PolarHBondContact O-N 3.44Å; L116-S120 WeakPolarHBondContact O-CB 3.2Å; L116-S120 PolarHBondContact O-N 3.06Å; L116-S120 PolarHBondContact O-OG 3.07Å; L116-S120 VanDerWaalsContact O-OG 3.07Å
117	L	90.7	Very high	87.8	Confident	104 Å²	104	87.3 Å²	87.3	55%	0.545	48%	0.483	S	S	.	.	H	α-helix	trans	-66	-35.7	176.6	-72.9	169	0	0	0	112.2	A113 Q114 M115 S120 K121	A113-L117 WeakPolarHBondContact O-CG 3.46Å; A113-L117 PolarHBondContact O-N 2.79Å; Q114-L117 PolarHBondContact O-N 3.42Å; Q114-L117 VanDerWaalsContact O-N 3.16Å; M115-L117 PolarHBondContact O-N 2.81Å; L117-S120 WeakPolarHBondContact CA-OG 3.49Å; L117-S120 PolarHBondContact O-OG 3.33Å; L117-K121 VanDerWaalsContact O-CG 3.31Å; L117-K121 WeakPolarHBondContact O-CG 3.36Å; L117-K121 PolarHBondContact O-N 2.88Å
118	E	85.3	Confident	88.4	Confident	84 Å²	84	81.4 Å²	81.4	39%	0.393	45%	0.445	S	S	.	.	H	α-helix	trans	-69.6	-45.8	175.4	-74.2	171.3	-167.2	0	0	111.1	Q114 M115 L116 S120 K121 S122	Q114-E118 WeakPolarHBondContact CG-OE1 3.31Å; Q114-E118 PolarHBondContact NE2-OE1 3.01Å; Q114-E118 WeakPolarHBondContact O-CG 3.41Å; Q114-E118 PolarHBondContact O-N 3.09Å; M115-E118 PolarHBondContact O-N 3.35Å; L116-E118 VanDerWaalsContact C-N 3.33Å; E118-S120 PolarHBondContact O-N 2.77Å; E118-K121 PolarHBondContact O-N 3.49Å; E118-S122 PolarHBondContact O-OG 3.41Å
119	E	83.3	Confident	88.9	Confident	97 Å²	97	73.4 Å²	73.4	45%	0.453	42%	0.423	S	S	.	.	H	α-helix	trans	-64.3	-40	176.3	-76.3	-172.3	163.3	0	0	112.4	M115 L116 K121 S122 S123	M115-E119 PolarHBondContact O-N 2.91Å; L116-E119 PolarHBondContact O-N 3.44Å; E119-K121 PolarHBondContact O-N 2.55Å; E119-S122 PolarHBondContact O-N 2.6Å; E119-S123 WeakPolarHBondContact O-CB 3.09Å; E119-S123 PolarHBondContact O-N 3.48Å; E119-S123 PolarHBondContact O-OG 3.16Å
120	S	84.2	Confident	89.1	Confident	70 Å²	70	68.4 Å²	68.4	49%	0.49	39%	0.386	S	S	.	.	H	α-helix	trans	-64.9	-24.5	179.7	60.4	0	0	0	0	113.7	L116 L117 E118	L116-S120 WeakPolarHBondContact O-CB 3.2Å; L116-S120 PolarHBondContact O-N 3.06Å; L116-S120 PolarHBondContact O-OG 3.07Å; L116-S120 VanDerWaalsContact O-OG 3.07Å; L117-S120 WeakPolarHBondContact CA-OG 3.49Å; L117-S120 PolarHBondContact O-OG 3.33Å; E118-S120 PolarHBondContact O-N 2.77Å
121	K	84.5	Confident	89.2	Confident	176 Å²	176	71.7 Å²	71.7	77%	0.765	40%	0.399	S	S	*	.	H	α-helix	trans	-76.5	-33.6	178.7	-74.1	171.4	-176.2	179.1	0	113.4	L117 E118 E119	L117-K121 VanDerWaalsContact O-CG 3.31Å; L117-K121 WeakPolarHBondContact O-CG 3.36Å; L117-K121 PolarHBondContact O-N 2.88Å; E118-K121 PolarHBondContact O-N 3.49Å; E119-K121 PolarHBondContact O-N 2.55Å
122	S	78.5	Confident	88.8	Confident	26 Å²	26	70.2 Å²	70.2	18%	0.182	39%	0.392	C	S	.	.	H	α-helix	trans	-108.1	-7	-173	60.2	0	0	0	0	113.6	E118 E119 H317	E118-S122 PolarHBondContact O-OG 3.41Å; E119-S122 PolarHBondContact O-N 2.6Å; S122-H317 PolarHBondContact OG-CD2 3.11Å; S122-H317 VanDerWaalsContact OG-CD2 3.22Å; S122-H317 PolarHBondContact OG-CE1 2.89Å; S122-H317 PolarHBondContact OG-ND1 3.21Å; S122-H317 PolarHBondContact OG-NE2 2.68Å; S122-H317 VanDerWaalsContact OG-NE2 3.08Å
123	S	85.4	Confident	88.6	Confident	62 Å²	62	67.4 Å²	67.4	43%	0.434	36%	0.362	S	S	.	.			trans	-84.1	134.8	-176.1	54.9	0	0	0	0	113.7	E119 T143	E119-S123 WeakPolarHBondContact O-CB 3.09Å; E119-S123 PolarHBondContact O-N 3.48Å; E119-S123 PolarHBondContact O-OG 3.16Å; S123-T143 WeakPolarHBondContact CA-OG1 3.47Å
124	Y	90.8	Very high	88.5	Confident	88 Å²	88	65.1 Å²	65.1	35%	0.345	34%	0.341	S	S	.	.			trans	-115.6	149.5	166.5	-68.6	-97.1	0	0	0	109.6	F126 R142 T143 Y172 V175 K276	Y124-F126 VanDerWaalsContact CB-CZ 3.46Å; Y124-F126 HydrophobicContact CD1-CE1 4.14Å; Y124-F126 HydrophobicContact CD1-CZ 4.39Å; Y124-F126 HydrophobicContact CG-CE1 4.1Å; Y124-F126 AromaticContact CG-CZ 3.93Å; Y124-F126 HydrophobicContact CG-CZ 3.93Å; Y124-R142 WeakPolarHBondContact O-CA 3.4Å; Y124-T143 HydrophobicContact CD2-CG2 4.29Å; Y124-T143 PolarHBondContact N-OG1 2.91Å; Y124-T143 PolarHBondContact O-N 3.01Å; Y124-T143 PolarHBondContact O-OG1 3.28Å; Y124-Y172 HydrophobicContact CD1-CD1 4.25Å; Y124-Y172 HydrophobicContact CD1-CE1 4.34Å; Y124-V175 HydrophobicContact CD1-CG2 4.48Å; Y124-V175 HydrophobicContact CE1-CG2 4.24Å; Y124-K276 HydrophobicContact CD2-CD 4.35Å; Y124-K276 HydrophobicContact CD2-CG 4.24Å; Y124-K276 HydrophobicContact CE2-CD 4.37Å; Y124-K276 HydrophobicContact CE2-CG 4.21Å
125	C	94.2	Very high	88.4	Confident	43 Å²	43	66 Å²	66	29%	0.291	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	100.3	170.1	-168.2	0	0	0	0	108.8	L141 R142 Y172	C125-L141 CarbonylContact C-O 3.6Å; C125-R142 HydrophobicContact CB-CG 4.18Å; C125-Y172 PolarHBondContact O-OH 3.19Å
126	F	96	Very high	88.3	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	119.1	-173.9	-61.6	-58	0	0	0	111.5	Y124 T128 G140 L141 T143 V168 Y172 V175 K276 L277 A319	Y124-F126 VanDerWaalsContact CB-CZ 3.46Å; Y124-F126 HydrophobicContact CD1-CE1 4.14Å; Y124-F126 HydrophobicContact CD1-CZ 4.39Å; Y124-F126 HydrophobicContact CG-CE1 4.1Å; Y124-F126 AromaticContact CG-CZ 3.93Å; Y124-F126 HydrophobicContact CG-CZ 3.93Å; F126-T128 PolarHBondContact O-N 2.85Å; F126-G140 CarbonylContact O-C 3.52Å; F126-G140 WeakPolarHBondContact O-CA 3.47Å; F126-L141 HydrophobicContact CB-CB 4.25Å; F126-L141 PolarHBondContact N-O 3.37Å; F126-L141 PolarHBondContact O-N 2.77Å; F126-T143 HydrophobicContact CE2-CG2 3.88Å; F126-T143 HydrophobicContact CZ-CG2 4.34Å; F126-V168 HydrophobicContact CB-CG2 3.66Å; F126-V168 HydrophobicContact CD1-CG1 3.91Å; F126-V168 HydrophobicContact CD1-CG2 3.94Å; F126-V168 HydrophobicContact CE1-CG1 4.15Å; F126-V168 HydrophobicContact CG-CG1 4.49Å; F126-V168 HydrophobicContact CG-CG2 3.9Å; F126-Y172 HydrophobicContact CD1-CD1 4.46Å; F126-Y172 AromaticContact CD1-CD2 3.78Å; F126-Y172 HydrophobicContact CD1-CD2 3.78Å; F126-Y172 HydrophobicContact CD1-CE1 4.37Å; F126-Y172 AromaticContact CD1-CE2 3.69Å; F126-Y172 HydrophobicContact CD1-CE2 3.69Å; F126-Y172 HydrophobicContact CD1-CG 4.18Å; F126-Y172 HydrophobicContact CE1-CD1 4.31Å; F126-Y172 HydrophobicContact CE1-CD2 4.21Å; F126-Y172 HydrophobicContact CE1-CE2 4.43Å; F126-Y172 HydrophobicContact CE1-CG 4.16Å; F126-V175 HydrophobicContact CE1-CB 4.48Å; F126-V175 HydrophobicContact CE1-CG1 3.99Å; F126-V175 HydrophobicContact CE1-CG2 4.02Å; F126-V175 HydrophobicContact CZ-CG1 4Å; F126-V175 HydrophobicContact CZ-CG2 4.34Å; F126-K276 HydrophobicContact CE2-CB 4.14Å; F126-K276 WeakPolarHBondContact CE2-O 3.47Å; F126-K276 HydrophobicContact CZ-CB 3.65Å; F126-L277 HydrophobicContact CD2-CB 4.49Å; F126-L277 HydrophobicContact CE2-CB 4.26Å; F126-A319 HydrophobicContact CD2-CB 3.81Å; F126-A319 HydrophobicContact CE2-CB 3.86Å
127	S	94.3	Very high	88.3	Confident	28 Å²	28	57.3 Å²	57.3	20%	0.196	30%	0.304	C	S	.	.			trans	-60.8	133.6	170.5	167.5	0	0	0	0	110.7	G129 D134 S167	S127-G129 PolarHBondContact O-N 3.48Å; S127-G129 PolarHBondContact OG-N 2.89Å; S127-G129 VanDerWaalsContact OG-N 3.09Å; S127-D134 WeakPolarHBondContact CA-OD2 3.3Å; S127-D134 VanDerWaalsContact CB-OD2 3.3Å; S127-D134 WeakPolarHBondContact CB-OD2 3.46Å; S127-D134 PolarHBondContact OG-OD2 3.21Å; S127-S167 WeakPolarHBondContact O-CB 3.48Å; S127-S167 PolarHBondContact O-OG 2.94Å
128	T	91.9	Very high	88.1	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.306	C	S	.	.			trans	-72.2	-11.2	174.5	63.4	0	0	0	0	112.8	F126 I130 L133 D134 L137 L141 F160 V164	F126-T128 PolarHBondContact O-N 2.85Å; T128-I130 VanDerWaalsContact C-N 3.26Å; T128-I130 PolarHBondContact OG1-N 3.19Å; T128-I130 PolarHBondContact OG1-O 3.48Å; T128-L133 HydrophobicContact CG2-CD2 4.05Å; T128-L133 HydrophobicContact CG2-CG 4.39Å; T128-D134 VanDerWaalsContact CB-OD1 3.26Å; T128-D134 WeakPolarHBondContact CB-OD1 3.39Å; T128-D134 WeakPolarHBondContact CG2-OD1 3.43Å; T128-D134 PolarHBondContact N-OD1 3.39Å; T128-D134 PolarHBondContact N-OD2 3.01Å; T128-D134 PolarHBondContact OG1-OD1 3.46Å; T128-L137 HydrophobicContact CG2-CD1 4.05Å; T128-L141 HydrophobicContact CG2-CD2 4.41Å; T128-L141 HydrophobicContact CG2-CG 4.06Å; T128-F160 HydrophobicContact CG2-CE2 4.5Å; T128-F160 HydrophobicContact CG2-CZ 4.07Å; T128-V164 HydrophobicContact CG2-CG2 4.38Å
129	G	88.4	Confident	88.2	Confident	26 Å²	26	55.4 Å²	55.4	27%	0.268	31%	0.306	S	S	.	.	S	Bend	trans	82.3	2	-171.9	0	0	0	0	0	113.5	S127 S167	S127-G129 PolarHBondContact O-N 3.48Å; S127-G129 PolarHBondContact OG-N 2.89Å; S127-G129 VanDerWaalsContact OG-N 3.09Å; G129-S167 PolarHBondContact N-OG 3.05Å
130	I	88.6	Confident	88.7	Confident	23 Å²	23	50.8 Å²	50.8	12%	0.118	28%	0.284	C	S	.	.			trans	-121.7	105.9	179	-55.9	171.4	0	0	0	107.7	T128 N132 L133 D134 F160 F399	T128-I130 VanDerWaalsContact C-N 3.26Å; T128-I130 PolarHBondContact OG1-N 3.19Å; T128-I130 PolarHBondContact OG1-O 3.48Å; I130-N132 VanDerWaalsContact C-N 3.35Å; I130-N132 PolarHBondContact O-N 3.26Å; I130-L133 HydrophobicContact CB-CB 4.02Å; I130-L133 HydrophobicContact CG2-CB 3.97Å; I130-L133 PolarHBondContact O-N 3.1Å; I130-D134 PolarHBondContact O-N 3.31Å; I130-F160 HydrophobicContact CD1-CD2 4.12Å; I130-F160 HydrophobicContact CD1-CE2 4.07Å; I130-F399 HydrophobicContact CD1-CD2 3.66Å; I130-F399 HydrophobicContact CD1-CE1 4.44Å; I130-F399 HydrophobicContact CD1-CE2 3.59Å; I130-F399 HydrophobicContact CD1-CG 4.15Å; I130-F399 HydrophobicContact CD1-CZ 4Å; I130-F399 HydrophobicContact CG2-CB 4.02Å; I130-F399 HydrophobicContact CG2-CD1 4.14Å; I130-F399 HydrophobicContact CG2-CG 4.05Å
131	E	87.9	Confident	89.1	Confident	148 Å²	148	47.6 Å²	47.6	69%	0.692	26%	0.262	S	S	*	.	H	α-helix	trans	-55.9	-45	-173.1	-171.3	179.9	176	0	0	113.2	L133 D134 N135	E131-L133 VanDerWaalsContact C-N 3.27Å; E131-L133 PolarHBondContact O-N 3.31Å; E131-D134 PolarHBondContact O-N 3.17Å; E131-N135 WeakPolarHBondContact O-CB 3.34Å; E131-N135 VanDerWaalsContact O-CG 3.24Å; E131-N135 PolarHBondContact O-N 3.22Å; E131-N135 PolarHBondContact O-ND2 3.34Å
132	N	86.8	Confident	89.6	Confident	69 Å²	69	43.9 Å²	43.9	37%	0.369	24%	0.243	S	C	.	.	H	α-helix	trans	-61.2	-36.8	178	-70.5	-9.8	0	0	0	112.6	I130 L136 W397	I130-N132 VanDerWaalsContact C-N 3.35Å; I130-N132 PolarHBondContact O-N 3.26Å; N132-L136 PolarHBondContact O-N 2.89Å; N132-L136 VanDerWaalsContact O-N 3.1Å; N132-W397 HydrophobicContact CB-CE3 4.41Å
133	L	87.7	Confident	90.4	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.016	24%	0.238	C	C	.	.	H	α-helix	trans	-76.9	-37.4	179.3	-174.9	60.9	0	0	0	111.3	T128 I130 E131 N135 L136 L137 F160 I356	T128-L133 HydrophobicContact CG2-CD2 4.05Å; T128-L133 HydrophobicContact CG2-CG 4.39Å; I130-L133 HydrophobicContact CB-CB 4.02Å; I130-L133 HydrophobicContact CG2-CB 3.97Å; I130-L133 PolarHBondContact O-N 3.1Å; E131-L133 VanDerWaalsContact C-N 3.27Å; E131-L133 PolarHBondContact O-N 3.31Å; L133-N135 VanDerWaalsContact C-N 3.3Å; L133-N135 PolarHBondContact O-N 3.24Å; L133-L136 HydrophobicContact CD1-CD2 4Å; L133-L136 WeakPolarHBondContact O-CB 3.26Å; L133-L136 PolarHBondContact O-N 3.43Å; L133-L137 HydrophobicContact CD1-CD1 4.35Å; L133-L137 HydrophobicContact CD1-CG 4.4Å; L133-L137 HydrophobicContact CG-CD1 4.07Å; L133-L137 HydrophobicContact CG-CG 4.5Å; L133-L137 WeakPolarHBondContact O-CB 3.33Å; L133-L137 WeakPolarHBondContact O-CG 3.42Å; L133-L137 PolarHBondContact O-N 2.9Å; L133-F160 HydrophobicContact CD2-CD2 4.46Å; L133-F160 HydrophobicContact CD2-CE2 3.33Å; L133-F160 HydrophobicContact CD2-CZ 3.51Å; L133-I356 HydrophobicContact CD1-CD1 3.92Å
134	D	91.1	Very high	90.7	Very high	17 Å²	17	41.3 Å²	41.3	9%	0.091	23%	0.228	C	C	.	.	H	α-helix	trans	-62.3	-41.1	173.7	-69.7	-16.5	0	0	0	110.7	S127 T128 I130 E131 L136 L137 N138 G139	S127-D134 WeakPolarHBondContact CA-OD2 3.3Å; S127-D134 VanDerWaalsContact CB-OD2 3.3Å; S127-D134 WeakPolarHBondContact CB-OD2 3.46Å; S127-D134 PolarHBondContact OG-OD2 3.21Å; T128-D134 VanDerWaalsContact CB-OD1 3.26Å; T128-D134 WeakPolarHBondContact CB-OD1 3.39Å; T128-D134 WeakPolarHBondContact CG2-OD1 3.43Å; T128-D134 PolarHBondContact N-OD1 3.39Å; T128-D134 PolarHBondContact N-OD2 3.01Å; T128-D134 PolarHBondContact OG1-OD1 3.46Å; I130-D134 PolarHBondContact O-N 3.31Å; E131-D134 PolarHBondContact O-N 3.17Å; D134-L136 PolarHBondContact O-N 3.42Å; D134-L137 CarbonylContact O-C 3.6Å; D134-L137 PolarHBondContact O-N 3.07Å; D134-N138 PolarHBondContact O-N 3.36Å; D134-G139 PolarHBondContact O-N 3.39Å
135	N	89	Confident	90.8	Very high	103 Å²	103	38.4 Å²	38.4	55%	0.551	22%	0.218	S	C	*	.	H	α-helix	trans	-61.1	-43.2	172.8	-70.7	-24.3	0	0	0	111.8	E131 L133 L137 N138	E131-N135 WeakPolarHBondContact O-CB 3.34Å; E131-N135 VanDerWaalsContact O-CG 3.24Å; E131-N135 PolarHBondContact O-N 3.22Å; E131-N135 PolarHBondContact O-ND2 3.34Å; L133-N135 VanDerWaalsContact C-N 3.3Å; L133-N135 PolarHBondContact O-N 3.24Å; N135-L137 VanDerWaalsContact C-N 3.27Å; N135-L137 PolarHBondContact O-N 3.49Å; N135-N138 PolarHBondContact O-N 3.22Å
136	L	86.2	Confident	90.8	Very high	37 Å²	37	36.5 Å²	36.5	19%	0.194	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-33	175.6	-176.2	64.2	0	0	0	112.8	N132 L133 D134 L372	N132-L136 PolarHBondContact O-N 2.89Å; N132-L136 VanDerWaalsContact O-N 3.1Å; L133-L136 HydrophobicContact CD1-CD2 4Å; L133-L136 WeakPolarHBondContact O-CB 3.26Å; L133-L136 PolarHBondContact O-N 3.43Å; D134-L136 PolarHBondContact O-N 3.42Å; L136-L372 HydrophobicContact CD1-CB 4.11Å; L136-L372 HydrophobicContact CD1-CD2 4.2Å; L136-L372 HydrophobicContact CD2-CB 4.07Å; L136-L372 HydrophobicContact CG-CB 4.24Å; L136-L372 HydrophobicContact CG-CD2 4.38Å
137	L	89	Confident	90.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	8.7	178.5	-67.5	175.9	0	0	0	113.5	T128 L133 D134 N135 G139 L141 Y354 I356 L372	T128-L137 HydrophobicContact CG2-CD1 4.05Å; L133-L137 HydrophobicContact CD1-CD1 4.35Å; L133-L137 HydrophobicContact CD1-CG 4.4Å; L133-L137 HydrophobicContact CG-CD1 4.07Å; L133-L137 HydrophobicContact CG-CG 4.5Å; L133-L137 WeakPolarHBondContact O-CB 3.33Å; L133-L137 WeakPolarHBondContact O-CG 3.42Å; L133-L137 PolarHBondContact O-N 2.9Å; D134-L137 CarbonylContact O-C 3.6Å; D134-L137 PolarHBondContact O-N 3.07Å; N135-L137 VanDerWaalsContact C-N 3.27Å; N135-L137 PolarHBondContact O-N 3.49Å; L137-G139 VanDerWaalsContact C-N 3.33Å; L137-G139 PolarHBondContact O-N 3.37Å; L137-L141 HydrophobicContact CD1-CD2 4.04Å; L137-Y354 HydrophobicContact CD2-CD1 3.97Å; L137-Y354 HydrophobicContact CD2-CD2 4.3Å; L137-Y354 HydrophobicContact CD2-CE1 4.48Å; L137-Y354 HydrophobicContact CD2-CG 3.85Å; L137-I356 HydrophobicContact CD1-CD1 4.16Å; L137-I356 HydrophobicContact CD2-CD1 4.09Å; L137-I356 HydrophobicContact CG-CD1 4.45Å; L137-L372 HydrophobicContact CD2-CD1 4.44Å
138	N	87.5	Confident	90.8	Very high	109 Å²	109	35.3 Å²	35.3	58%	0.583	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	48.7	-175.7	-64.2	-26.6	0	0	0	113.1	D134 N135 R142	D134-N138 PolarHBondContact O-N 3.36Å; N135-N138 PolarHBondContact O-N 3.22Å; N138-R142 PolarHBondContact O-NH2 2.89Å
139	G	87.5	Confident	90.9	Very high	38 Å²	38	35.3 Å²	35.3	39%	0.392	20%	0.196	S	C	.	.	S	Bend	trans	118.2	-18.1	175.2	0	0	0	0	0	115.1	D134 L137	D134-G139 PolarHBondContact O-N 3.39Å; L137-G139 VanDerWaalsContact C-N 3.33Å; L137-G139 PolarHBondContact O-N 3.37Å
140	G	92.6	Very high	91.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	124.4	-148.3	180	0	0	0	0	0	113.7	F126	F126-G140 CarbonylContact O-C 3.52Å; F126-G140 WeakPolarHBondContact O-CA 3.47Å
141	L	94.6	Very high	91.2	Very high	4 Å²	4	33 Å²	33	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	111.8	-175.7	-54	175.4	0	0	0	111.2	C125 F126 T128 L137 T147 V164 L321	C125-L141 CarbonylContact C-O 3.6Å; F126-L141 HydrophobicContact CB-CB 4.25Å; F126-L141 PolarHBondContact N-O 3.37Å; F126-L141 PolarHBondContact O-N 2.77Å; T128-L141 HydrophobicContact CG2-CD2 4.41Å; T128-L141 HydrophobicContact CG2-CG 4.06Å; L137-L141 HydrophobicContact CD1-CD2 4.04Å; L141-T147 HydrophobicContact CD2-CG2 3.72Å; L141-V164 HydrophobicContact CD1-CG1 3.6Å; L141-V164 HydrophobicContact CD1-CG2 4.49Å; L141-L321 HydrophobicContact CD1-CB 4.44Å; L141-L321 HydrophobicContact CD1-CD1 4.42Å; L141-L321 HydrophobicContact CD1-CD2 4.23Å; L141-L321 HydrophobicContact CD2-CD1 4.39Å
142	R	94.2	Very high	91.3	Very high	98 Å²	98	31.1 Å²	31.1	37%	0.37	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	141.7	-179.3	-63.4	178.1	-172.1	-178.5	-0.4	112.6	Y124 C125 N138 E145 A319	Y124-R142 WeakPolarHBondContact O-CA 3.4Å; C125-R142 HydrophobicContact CB-CG 4.18Å; N138-R142 PolarHBondContact O-NH2 2.89Å; R142-E145 HydrophobicContact CB-CG 4.29Å; R142-E145 WeakPolarHBondContact CB-OE2 3.46Å; R142-E145 PolarHBondContact O-N 3.28Å; R142-A319 WeakPolarHBondContact O-CB 3.29Å
143	T	94.2	Very high	91.3	Very high	13 Å²	13	32.4 Å²	32.4	8%	0.08	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	144.7	167.7	51.1	0	0	0	0	111.1	S123 Y124 F126 E145 H317 A319	S123-T143 WeakPolarHBondContact CA-OG1 3.47Å; Y124-T143 HydrophobicContact CD2-CG2 4.29Å; Y124-T143 PolarHBondContact N-OG1 2.91Å; Y124-T143 PolarHBondContact O-N 3.01Å; Y124-T143 PolarHBondContact O-OG1 3.28Å; F126-T143 HydrophobicContact CE2-CG2 3.88Å; F126-T143 HydrophobicContact CZ-CG2 4.34Å; T143-E145 VanDerWaalsContact C-N 3.26Å; T143-H317 VanDerWaalsContact CB-O 3.3Å; T143-H317 WeakPolarHBondContact CB-O 3.44Å; T143-H317 WeakPolarHBondContact CG2-O 3.45Å; T143-A319 HydrophobicContact CG2-CB 4.3Å
144	G	92	Very high	91.2	Very high	21 Å²	21	36.3 Å²	36.3	22%	0.216	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.2	-17.2	-172.1	0	0	0	0	0	113.1	S313 C318	G144-S313 VanDerWaalsContact CA-O 3.26Å; G144-S313 WeakPolarHBondContact CA-O 3.27Å; G144-S313 PolarHBondContact O-OG 2.94Å; G144-C318 PolarHBondContact N-O 3.17Å
145	E	92.6	Very high	91	Very high	27 Å²	27	35.7 Å²	35.7	13%	0.126	21%	0.211	C	C	.	.			trans	-113.4	151.8	-173.4	-57.2	-160.2	112.4	0	0	112.8	R142 T143 I320 N353 Y354 K378	R142-E145 HydrophobicContact CB-CG 4.29Å; R142-E145 WeakPolarHBondContact CB-OE2 3.46Å; R142-E145 PolarHBondContact O-N 3.28Å; T143-E145 VanDerWaalsContact C-N 3.26Å; E145-I320 PolarHBondContact O-N 2.99Å; E145-N353 HydrophobicContact CB-CB 3.96Å; E145-N353 HydrophobicContact CG-CB 4.37Å; E145-N353 WeakPolarHBondContact CG-ND2 3.15Å; E145-N353 PolarHBondContact OE1-ND2 2.79Å; E145-Y354 WeakPolarHBondContact OE2-CE2 3.38Å; E145-K378 IonicContact OE1-NZ 3.92Å
146	I	95.1	Very high	91.1	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	116	175.2	-55.5	175	0	0	0	108.3	L309 Q310 I320 V322 W348 I351 N353 Y354	I146-L309 HydrophobicContact CD1-CB 4.02Å; I146-Q310 HydrophobicContact CD1-CG 4.19Å; I146-I320 WeakPolarHBondContact CA-O 3.32Å; I146-I320 HydrophobicContact CG1-CB 4.15Å; I146-I320 HydrophobicContact CG1-CD1 4.32Å; I146-I320 HydrophobicContact CG2-CB 4.44Å; I146-I320 HydrophobicContact CG2-CG2 4.38Å; I146-V322 HydrophobicContact CG2-CG2 4.21Å; I146-W348 HydrophobicContact CG2-CH2 4.34Å; I146-W348 HydrophobicContact CG2-CZ2 4.26Å; I146-I351 HydrophobicContact CD1-CG2 3.94Å; I146-N353 PolarHBondContact N-OD1 3.29Å; I146-N353 PolarHBondContact O-N 3.23Å; I146-Y354 PolarHBondContact O-N 3.49Å
147	T	94.6	Very high	91.4	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127.7	175.7	-61.1	0	0	0	0	109.9	L141 I149 I320 L321 V322 I356	L141-T147 HydrophobicContact CD2-CG2 3.72Å; T147-I149 HydrophobicContact CG2-CD1 4.39Å; T147-I320 PolarHBondContact N-O 3.14Å; T147-L321 HydrophobicContact CG2-CD1 4.04Å; T147-L321 CarbonylContact O-C 3.53Å; T147-L321 WeakPolarHBondContact O-CA 3.34Å; T147-V322 PolarHBondContact O-N 3.18Å; T147-I356 HydrophobicContact CG2-CD1 4.08Å
148	E	94.9	Very high	91.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129	-179.9	-177.2	-169.3	177.3	0	0	110.8	I150 V322 N324 W348 S352 Y354 R355 I356	E148-I150 HydrophobicContact CG-CD1 4.37Å; E148-I150 HydrophobicContact CG-CG1 3.82Å; E148-I150 WeakPolarHBondContact OE1-CD1 3.31Å; E148-I150 VanDerWaalsContact OE1-CG1 3.32Å; E148-I150 WeakPolarHBondContact OE1-CG1 3.31Å; E148-V322 CarbonylContact C-O 3.57Å; E148-V322 WeakPolarHBondContact CA-O 3.46Å; E148-N324 HydrophobicContact CG-CB 4.09Å; E148-N324 WeakPolarHBondContact OE1-CB 3.16Å; E148-N324 PolarHBondContact OE1-ND2 2.97Å; E148-W348 PolarHBondContact OE1-NE1 3.06Å; E148-W348 PolarHBondContact OE2-NE1 3.39Å; E148-S352 PolarHBondContact OE2-OG 3.14Å; E148-Y354 PolarHBondContact N-O 3.06Å; E148-R355 HydrophobicContact CB-CG 4.43Å; E148-R355 CarbonylContact O-C 3.54Å; E148-R355 WeakPolarHBondContact O-CA 3.46Å; E148-R355 IonicContact OE1-NE 3.28Å; E148-R355 IonicContact OE1-NH2 3.02Å; E148-R355 PolarHBondContact OE1-NH2 2.89Å; E148-R355 IonicContact OE2-CZ 3.34Å; E148-R355 IonicContact OE2-NE 3.95Å; E148-R355 PolarHBondContact OE2-NE 3.14Å; E148-R355 IonicContact OE2-NH2 2.91Å; E148-R355 PolarHBondContact OE2-NH2 3.49Å; E148-I356 PolarHBondContact O-N 3.31Å
149	I	94.3	Very high	91.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	117	170.5	-51	-58	0	0	0	109.1	T147 K157 F160 L321 V322 T323 N324 I356 F358	T147-I149 HydrophobicContact CG2-CD1 4.39Å; I149-K157 HydrophobicContact CG2-CD 4.38Å; I149-K157 HydrophobicContact CG2-CG 4.01Å; I149-F160 HydrophobicContact CD1-CD1 4.16Å; I149-F160 HydrophobicContact CD1-CE1 3.64Å; I149-F160 HydrophobicContact CD1-CZ 4.33Å; I149-F160 HydrophobicContact CG1-CD1 3.9Å; I149-F160 HydrophobicContact CG1-CE1 3.77Å; I149-L321 HydrophobicContact CD1-CD1 4.13Å; I149-L321 HydrophobicContact CG1-CD1 3.73Å; I149-V322 PolarHBondContact N-O 3.13Å; I149-T323 CarbonylContact O-C 3.58Å; I149-T323 WeakPolarHBondContact O-CA 3.42Å; I149-N324 PolarHBondContact O-N 3.36Å; I149-I356 CarbonylContact C-O 3.57Å; I149-I356 WeakPolarHBondContact CA-O 3.12Å; I149-I356 HydrophobicContact CD1-CB 3.9Å; I149-I356 HydrophobicContact CD1-CD1 3.58Å; I149-I356 HydrophobicContact CD1-CG1 4.25Å; I149-F358 HydrophobicContact CD1-CE1 4.17Å; I149-F358 HydrophobicContact CD1-CZ 4.42Å; I149-F358 HydrophobicContact CG2-CD1 3.7Å; I149-F358 HydrophobicContact CG2-CD2 3.95Å; I149-F358 HydrophobicContact CG2-CE1 3.62Å; I149-F358 HydrophobicContact CG2-CE2 3.89Å; I149-F358 HydrophobicContact CG2-CG 3.89Å; I149-F358 HydrophobicContact CG2-CZ 3.73Å
150	I	93.2	Very high	92.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.3	-178.4	-54.9	171.3	0	0	0	108.3	E148 N324 A326 R355 I356 L357 F358 I373	E148-I150 HydrophobicContact CG-CD1 4.37Å; E148-I150 HydrophobicContact CG-CG1 3.82Å; E148-I150 WeakPolarHBondContact OE1-CD1 3.31Å; E148-I150 VanDerWaalsContact OE1-CG1 3.32Å; E148-I150 WeakPolarHBondContact OE1-CG1 3.31Å; I150-N324 WeakPolarHBondContact CA-O 3.38Å; I150-N324 HydrophobicContact CG1-CB 4.33Å; I150-A326 HydrophobicContact CG2-CB 3.94Å; I150-R355 HydrophobicContact CD1-CB 4.3Å; I150-I356 PolarHBondContact N-O 2.84Å; I150-L357 HydrophobicContact CB-CD1 4.16Å; I150-L357 HydrophobicContact CG2-CD1 3.89Å; I150-L357 CarbonylContact O-C 3.57Å; I150-L357 WeakPolarHBondContact O-CA 3.29Å; I150-F358 PolarHBondContact O-N 3.29Å; I150-I373 HydrophobicContact CD1-CD1 4.48Å
151	G	91.4	Very high	92.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	158.9	173	0	0	0	0	0	113.4	K157 N324 A326	G151-K157 PolarHBondContact O-NZ 3.17Å; G151-N324 PolarHBondContact N-O 2.93Å; G151-A326 VanDerWaalsContact C-CB 3.49Å; G151-A326 PolarHBondContact O-N 3.09Å; G151-A326 VanDerWaalsContact O-N 3.11Å
152	K	88.5	Confident	92.3	Very high	109 Å²	109	27.2 Å²	27.2	47%	0.474	16%	0.16	S	C	.	.			trans	-61	169.7	173.1	-68	-179.5	-178.3	172.6	0	111.1	T155 K157 A326	K152-T155 HydrophobicContact CB-CG2 3.89Å; K152-T155 WeakPolarHBondContact O-CG2 3.48Å; K152-T155 PolarHBondContact O-OG1 2.94Å; K152-T155 VanDerWaalsContact O-OG1 3.07Å; K152-K157 PolarHBondContact O-NZ 3.22Å; K152-A326 HydrophobicContact CG-CB 4.32Å
153	S	87.3	Confident	92.3	Very high	96 Å²	96	23.6 Å²	23.6	67%	0.671	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	150	172.1	-161.1	0	0	0	0	110.4	T155	S153-T155 PolarHBondContact O-N 3.33Å; S153-T155 VanDerWaalsContact O-N 3.16Å
154	A	85.5	Confident	92.4	Very high	86 Å²	86	23 Å²	23	71%	0.711	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	16.4	179.7	0	0	0	0	0	116.8	G156	A154-G156 PolarHBondContact O-N 3.16Å
155	T	88.1	Confident	92.5	Very high	3 Å²	3	22 Å²	22	2%	0.018	14%	0.135	C	C	.	.	S	Bend	trans	-80.9	11.2	173.1	64	0	0	0	0	114.2	K152 S153 F358 L360 I368	K152-T155 HydrophobicContact CB-CG2 3.89Å; K152-T155 WeakPolarHBondContact O-CG2 3.48Å; K152-T155 PolarHBondContact O-OG1 2.94Å; K152-T155 VanDerWaalsContact O-OG1 3.07Å; S153-T155 PolarHBondContact O-N 3.33Å; S153-T155 VanDerWaalsContact O-N 3.16Å; T155-F358 WeakPolarHBondContact O-CD2 3.49Å; T155-L360 HydrophobicContact CG2-CD1 4.49Å; T155-L360 HydrophobicContact CG2-CG 4.25Å; T155-I368 WeakPolarHBondContact O-CD1 3.24Å
156	G	89.3	Confident	92.6	Very high	16 Å²	16	20.7 Å²	20.7	17%	0.165	13%	0.129	C	C	.	.	S	Bend	trans	80.4	17.5	177.2	0	0	0	0	0	116.8	A154 T158 Q159 F160	A154-G156 PolarHBondContact O-N 3.16Å; G156-T158 PolarHBondContact O-N 3.14Å; G156-Q159 WeakPolarHBondContact O-CB 3.46Å; G156-Q159 PolarHBondContact O-N 2.8Å; G156-F160 WeakPolarHBondContact O-CB 3.18Å; G156-F160 PolarHBondContact O-N 3.15Å
157	K	93	Very high	92.5	Very high	12 Å²	12	20.9 Å²	20.9	5%	0.052	13%	0.131	C	C	.	.	H	α-helix	trans	-56.4	-50.2	-179.8	-62.8	-174.4	-64.9	-69.7	0	113.5	I149 G151 K152 Q159 F160 C161 T323 F358	I149-K157 HydrophobicContact CG2-CD 4.38Å; I149-K157 HydrophobicContact CG2-CG 4.01Å; G151-K157 PolarHBondContact O-NZ 3.17Å; K152-K157 PolarHBondContact O-NZ 3.22Å; K157-Q159 VanDerWaalsContact C-N 3.31Å; K157-Q159 PolarHBondContact O-N 3.42Å; K157-F160 WeakPolarHBondContact O-CB 3.4Å; K157-F160 PolarHBondContact O-N 2.97Å; K157-C161 PolarHBondContact O-N 2.9Å; K157-C161 PolarHBondContact O-SG 3.36Å; K157-T323 HydrophobicContact CB-CG2 4.16Å; K157-F358 HydrophobicContact CG-CD2 4.45Å
158	T	94.1	Very high	92.5	Very high	26 Å²	26	20.8 Å²	20.8	16%	0.16	13%	0.13	C	C	.	.	H	α-helix	trans	-62.2	-40.3	176.3	-53.1	0	0	0	0	111.5	G156 F160 C161 L162 D281	G156-T158 PolarHBondContact O-N 3.14Å; T158-F160 VanDerWaalsContact C-N 3.32Å; T158-F160 PolarHBondContact O-N 3.39Å; T158-C161 WeakPolarHBondContact O-CB 3.43Å; T158-C161 PolarHBondContact O-N 2.95Å; T158-L162 WeakPolarHBondContact O-CG 3.3Å; T158-L162 PolarHBondContact O-N 3.39Å; T158-D281 WeakPolarHBondContact CA-OD2 3.43Å; T158-D281 WeakPolarHBondContact CB-OD2 3.37Å; T158-D281 VanDerWaalsContact CG2-OD2 3.25Å; T158-D281 WeakPolarHBondContact CG2-OD2 3.43Å; T158-D281 PolarHBondContact OG1-OD2 3.29Å
159	Q	92.5	Very high	92.5	Very high	57 Å²	57	20.8 Å²	20.8	27%	0.266	13%	0.13	S	C	.	.	H	α-helix	trans	-63.5	-39.3	176.7	-63	-60.6	-39.7	0	0	111.6	G156 K157 L162 S163 Y194 I401	G156-Q159 WeakPolarHBondContact O-CB 3.46Å; G156-Q159 PolarHBondContact O-N 2.8Å; K157-Q159 VanDerWaalsContact C-N 3.31Å; K157-Q159 PolarHBondContact O-N 3.42Å; Q159-L162 PolarHBondContact O-N 3.22Å; Q159-S163 WeakPolarHBondContact O-CB 3.37Å; Q159-S163 PolarHBondContact O-N 3.43Å; Q159-Y194 PolarHBondContact OE1-OH 2.65Å; Q159-I401 HydrophobicContact CB-CG2 3.69Å
160	F	93.7	Very high	92.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.1	-47.2	172.2	176.2	-102	0	0	0	111.9	T128 I130 L133 I149 G156 K157 T158 L162 S163 V164 L321 F358 I401	T128-F160 HydrophobicContact CG2-CE2 4.5Å; T128-F160 HydrophobicContact CG2-CZ 4.07Å; I130-F160 HydrophobicContact CD1-CD2 4.12Å; I130-F160 HydrophobicContact CD1-CE2 4.07Å; L133-F160 HydrophobicContact CD2-CD2 4.46Å; L133-F160 HydrophobicContact CD2-CE2 3.33Å; L133-F160 HydrophobicContact CD2-CZ 3.51Å; I149-F160 HydrophobicContact CD1-CD1 4.16Å; I149-F160 HydrophobicContact CD1-CE1 3.64Å; I149-F160 HydrophobicContact CD1-CZ 4.33Å; I149-F160 HydrophobicContact CG1-CD1 3.9Å; I149-F160 HydrophobicContact CG1-CE1 3.77Å; G156-F160 WeakPolarHBondContact O-CB 3.18Å; G156-F160 PolarHBondContact O-N 3.15Å; K157-F160 WeakPolarHBondContact O-CB 3.4Å; K157-F160 PolarHBondContact O-N 2.97Å; T158-F160 VanDerWaalsContact C-N 3.32Å; T158-F160 PolarHBondContact O-N 3.39Å; F160-L162 VanDerWaalsContact C-N 3.31Å; F160-L162 PolarHBondContact O-N 2.97Å; F160-S163 WeakPolarHBondContact O-CB 3.21Å; F160-S163 PolarHBondContact O-N 2.74Å; F160-S163 VanDerWaalsContact O-N 3.15Å; F160-V164 HydrophobicContact CD1-CG2 4.23Å; F160-V164 HydrophobicContact CD2-CG2 4.36Å; F160-V164 HydrophobicContact CE1-CG2 3.76Å; F160-V164 HydrophobicContact CE2-CG2 3.88Å; F160-V164 HydrophobicContact CZ-CG2 3.57Å; F160-V164 WeakPolarHBondContact O-CG2 3.46Å; F160-V164 PolarHBondContact O-N 2.97Å; F160-L321 HydrophobicContact CD1-CD2 4.45Å; F160-L321 HydrophobicContact CE1-CD1 4.2Å; F160-L321 HydrophobicContact CE1-CD2 4.09Å; F160-F358 HydrophobicContact CB-CE2 3.72Å; F160-F358 HydrophobicContact CB-CZ 4.05Å; F160-F358 HydrophobicContact CD1-CE2 4.43Å; F160-F358 HydrophobicContact CD1-CZ 4.01Å; F160-F358 HydrophobicContact CD2-CE2 4.28Å; F160-F358 AromaticContact CD2-CZ 3.82Å; F160-F358 HydrophobicContact CD2-CZ 3.82Å; F160-F358 HydrophobicContact CE1-CZ 4.45Å; F160-F358 HydrophobicContact CE2-CZ 4.3Å; F160-F358 AromaticContact CG-CE2 3.89Å; F160-F358 HydrophobicContact CG-CE2 3.89Å; F160-F358 AromaticContact CG-CZ 3.66Å; F160-F358 HydrophobicContact CG-CZ 3.66Å; F160-I401 HydrophobicContact CB-CD1 4.01Å
161	C	95.8	Very high	92.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-57.1	-43.1	175.7	-71.1	0	0	0	0	112.3	K157 T158 V164 C165 Y179 I279 T323	K157-C161 PolarHBondContact O-N 2.9Å; K157-C161 PolarHBondContact O-SG 3.36Å; T158-C161 WeakPolarHBondContact O-CB 3.43Å; T158-C161 PolarHBondContact O-N 2.95Å; C161-V164 PolarHBondContact O-N 3.08Å; C161-C165 PolarHBondContact O-N 3.2Å; C161-C165 PolarHBondContact O-SG 3.46Å; C161-Y179 HydrophobicContact CB-CE2 3.89Å; C161-I279 HydrophobicContact CB-CG2 3.95Å; C161-T323 WeakPolarHBondContact SG-CG2 3.36Å
162	L	95.1	Very high	92.3	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-65.8	-40.5	175.4	-66.7	176.8	0	0	0	112.5	T158 Q159 F160 C165 A166 Y179 F186 R190 L191 Y194	T158-L162 WeakPolarHBondContact O-CG 3.3Å; T158-L162 PolarHBondContact O-N 3.39Å; Q159-L162 PolarHBondContact O-N 3.22Å; F160-L162 VanDerWaalsContact C-N 3.31Å; F160-L162 PolarHBondContact O-N 2.97Å; L162-C165 WeakPolarHBondContact O-CB 3.36Å; L162-C165 PolarHBondContact O-N 3.36Å; L162-A166 WeakPolarHBondContact O-CB 3.42Å; L162-A166 PolarHBondContact O-N 3.49Å; L162-Y179 HydrophobicContact CD2-CE2 4.46Å; L162-F186 HydrophobicContact CD2-CD2 3.68Å; L162-F186 HydrophobicContact CD2-CE2 3.51Å; L162-F186 HydrophobicContact CD2-CZ 4.49Å; L162-R190 HydrophobicContact CD1-CB 4.09Å; L162-R190 HydrophobicContact CD1-CG 3.77Å; L162-L191 HydrophobicContact CD2-CB 4.35Å; L162-Y194 HydrophobicContact CB-CD2 3.87Å; L162-Y194 HydrophobicContact CB-CE2 3.81Å; L162-Y194 HydrophobicContact CD1-CE2 4.45Å
163	S	93.6	Very high	92.3	Very high	21 Å²	21	32.9 Å²	32.9	15%	0.147	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-46	174.6	179.4	0	0	0	0	111.5	Q159 F160 A166 S167	Q159-S163 WeakPolarHBondContact O-CB 3.37Å; Q159-S163 PolarHBondContact O-N 3.43Å; F160-S163 WeakPolarHBondContact O-CB 3.21Å; F160-S163 PolarHBondContact O-N 2.74Å; F160-S163 VanDerWaalsContact O-N 3.15Å; S163-A166 PolarHBondContact O-N 3.35Å; S163-S167 PolarHBondContact O-N 2.89Å
164	V	95.5	Very high	92.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.3	-46.1	175.3	172.9	0	0	0	0	110.6	T128 L141 F160 C161 A166 S167 V168 L277 L321	T128-V164 HydrophobicContact CG2-CG2 4.38Å; L141-V164 HydrophobicContact CD1-CG1 3.6Å; L141-V164 HydrophobicContact CD1-CG2 4.49Å; F160-V164 HydrophobicContact CD1-CG2 4.23Å; F160-V164 HydrophobicContact CD2-CG2 4.36Å; F160-V164 HydrophobicContact CE1-CG2 3.76Å; F160-V164 HydrophobicContact CE2-CG2 3.88Å; F160-V164 HydrophobicContact CZ-CG2 3.57Å; F160-V164 WeakPolarHBondContact O-CG2 3.46Å; F160-V164 PolarHBondContact O-N 2.97Å; C161-V164 PolarHBondContact O-N 3.08Å; V164-A166 VanDerWaalsContact C-N 3.31Å; V164-A166 PolarHBondContact O-N 2.83Å; V164-S167 WeakPolarHBondContact O-CB 3.23Å; V164-S167 PolarHBondContact O-N 3.4Å; V164-V168 HydrophobicContact CG1-CG2 4.43Å; V164-V168 WeakPolarHBondContact O-CG2 3.46Å; V164-V168 PolarHBondContact O-N 2.93Å; V164-L277 HydrophobicContact CG1-CD2 4.09Å; V164-L321 HydrophobicContact CB-CD2 4.39Å; V164-L321 HydrophobicContact CG1-CD2 4.3Å; V164-L321 HydrophobicContact CG2-CD2 4.32Å
165	C	95.6	Very high	92.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-53.9	-50.4	174.6	-68.6	0	0	0	0	111.1	C161 L162 S167 V168 L169 I177 L191 I232 I279	C161-C165 PolarHBondContact O-N 3.2Å; C161-C165 PolarHBondContact O-SG 3.46Å; L162-C165 WeakPolarHBondContact O-CB 3.36Å; L162-C165 PolarHBondContact O-N 3.36Å; C165-S167 VanDerWaalsContact C-N 3.32Å; C165-S167 PolarHBondContact O-N 3.38Å; C165-V168 PolarHBondContact O-N 3.18Å; C165-L169 WeakPolarHBondContact O-CB 3.46Å; C165-L169 WeakPolarHBondContact O-CG 3.45Å; C165-L169 PolarHBondContact O-N 2.8Å; C165-I177 HydrophobicContact CB-CD1 4.28Å; C165-L191 HydrophobicContact CB-CD1 3.75Å; C165-I232 HydrophobicContact CB-CD1 4.13Å; C165-I279 WeakPolarHBondContact SG-CD1 3.45Å
166	A	93.8	Very high	93.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.6	-33.4	-177.1	0	0	0	0	0	112.6	L162 S163 V164 R170 L191 L195	L162-A166 WeakPolarHBondContact O-CB 3.42Å; L162-A166 PolarHBondContact O-N 3.49Å; S163-A166 PolarHBondContact O-N 3.35Å; V164-A166 VanDerWaalsContact C-N 3.31Å; V164-A166 PolarHBondContact O-N 2.83Å; A166-R170 VanDerWaalsContact CB-NH2 3.29Å; A166-R170 WeakPolarHBondContact O-CB 3.45Å; A166-R170 WeakPolarHBondContact O-CG 3.35Å; A166-R170 PolarHBondContact O-N 3.27Å; A166-R170 PolarHBondContact O-NE 3.28Å; A166-L191 HydrophobicContact CB-CD1 3.97Å; A166-L195 HydrophobicContact CB-CD2 3.92Å; A166-L195 HydrophobicContact CB-CG 4.13Å
167	S	93.5	Very high	93.7	Very high	7 Å²	7	27.4 Å²	27.4	5%	0.049	14%	0.136	C	C	.	.	H	α-helix	trans	-64	-50.6	172.5	177.8	0	0	0	0	110.7	S127 G129 S163 V164 C165 R170 N171	S127-S167 WeakPolarHBondContact O-CB 3.48Å; S127-S167 PolarHBondContact O-OG 2.94Å; G129-S167 PolarHBondContact N-OG 3.05Å; S163-S167 PolarHBondContact O-N 2.89Å; V164-S167 WeakPolarHBondContact O-CB 3.23Å; V164-S167 PolarHBondContact O-N 3.4Å; C165-S167 VanDerWaalsContact C-N 3.32Å; C165-S167 PolarHBondContact O-N 3.38Å; S167-R170 PolarHBondContact O-N 3.29Å; S167-N171 WeakPolarHBondContact O-CB 3.38Å; S167-N171 PolarHBondContact O-N 3.25Å; S167-N171 PolarHBondContact O-ND2 3.1Å; S167-N171 PolarHBondContact OG-ND2 3.39Å
168	V	95	Very high	93.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.3	-45.5	-177.9	173.8	0	0	0	0	111.8	F126 V164 C165 R170 N171 Y172 V175 I177 L277	F126-V168 HydrophobicContact CB-CG2 3.66Å; F126-V168 HydrophobicContact CD1-CG1 3.91Å; F126-V168 HydrophobicContact CD1-CG2 3.94Å; F126-V168 HydrophobicContact CE1-CG1 4.15Å; F126-V168 HydrophobicContact CG-CG1 4.49Å; F126-V168 HydrophobicContact CG-CG2 3.9Å; V164-V168 HydrophobicContact CG1-CG2 4.43Å; V164-V168 WeakPolarHBondContact O-CG2 3.46Å; V164-V168 PolarHBondContact O-N 2.93Å; C165-V168 PolarHBondContact O-N 3.18Å; V168-R170 PolarHBondContact O-N 3.12Å; V168-N171 PolarHBondContact O-N 3.21Å; V168-Y172 HydrophobicContact CB-CD2 4.46Å; V168-Y172 HydrophobicContact CG1-CD2 4.12Å; V168-Y172 WeakPolarHBondContact O-CB 3.5Å; V168-Y172 PolarHBondContact O-N 2.89Å; V168-V175 HydrophobicContact CG1-CB 4.45Å; V168-V175 HydrophobicContact CG1-CG1 3.89Å; V168-I177 HydrophobicContact CB-CD1 3.86Å; V168-I177 HydrophobicContact CG1-CD1 3.81Å; V168-I177 HydrophobicContact CG1-CG1 4.19Å; V168-L277 HydrophobicContact CB-CD2 4.36Å; V168-L277 HydrophobicContact CG1-CD2 4.44Å; V168-L277 HydrophobicContact CG2-CD2 3.92Å
169	L	93.8	Very high	94.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59	-36.5	178.2	-72.1	173.3	0	0	0	111.7	C165 I177 L191 L195 Y228 R231 I232	C165-L169 WeakPolarHBondContact O-CB 3.46Å; C165-L169 WeakPolarHBondContact O-CG 3.45Å; C165-L169 PolarHBondContact O-N 2.8Å; L169-I177 HydrophobicContact CD1-CD1 4.46Å; L169-I177 HydrophobicContact CD2-CD1 3.93Å; L169-I177 HydrophobicContact CD2-CG1 4.31Å; L169-I177 HydrophobicContact CG-CD1 3.72Å; L169-L191 HydrophobicContact CD1-CD2 4.4Å; L169-L195 HydrophobicContact CB-CD2 4.2Å; L169-Y228 HydrophobicContact CB-CD1 3.98Å; L169-Y228 WeakPolarHBondContact O-CE1 3.47Å; L169-R231 HydrophobicContact CD2-CB 3.77Å; L169-R231 PolarHBondContact O-NH1 2.78Å; L169-R231 PolarHBondContact O-NH2 2.95Å; L169-I232 HydrophobicContact CD1-CB 4.37Å; L169-I232 HydrophobicContact CD1-CG2 4.43Å
170	R	90.2	Very high	94.4	Very high	37 Å²	37	23 Å²	23	14%	0.14	11%	0.114	C	C	.	.	H	α-helix	trans	-75.9	-46.9	178.4	-81.1	179.5	-81.9	-162.1	-0.9	113.2	A166 S167 V168 Y194 L195 Q198 Y228	A166-R170 VanDerWaalsContact CB-NH2 3.29Å; A166-R170 WeakPolarHBondContact O-CB 3.45Å; A166-R170 WeakPolarHBondContact O-CG 3.35Å; A166-R170 PolarHBondContact O-N 3.27Å; A166-R170 PolarHBondContact O-NE 3.28Å; S167-R170 PolarHBondContact O-N 3.29Å; V168-R170 PolarHBondContact O-N 3.12Å; R170-Y194 PolarHBondContact NH1-O 3Å; R170-Y194 PolarHBondContact NH2-O 2.88Å; R170-L195 HydrophobicContact CG-CD2 4.04Å; R170-L195 VanDerWaalsContact CZ-CA 3.46Å; R170-L195 PolarHBondContact NH1-O 3.18Å; R170-Q198 VanDerWaalsContact NH1-CB 3.31Å; R170-Y228 HydrophobicContact CG-CE1 4.03Å
171	N	91.1	Very high	94.5	Very high	101 Å²	101	23.3 Å²	23.3	54%	0.54	12%	0.116	S	C	.	.	H	α-helix	trans	-80.5	-24.6	-171.6	-65.1	-23.7	0	0	0	112.9	S167 V168	S167-N171 WeakPolarHBondContact O-CB 3.38Å; S167-N171 PolarHBondContact O-N 3.25Å; S167-N171 PolarHBondContact O-ND2 3.1Å; S167-N171 PolarHBondContact OG-ND2 3.39Å; V168-N171 PolarHBondContact O-N 3.21Å
172	Y	92.9	Very high	94.4	Very high	59 Å²	59	23.5 Å²	23.5	23%	0.231	12%	0.117	C	C	.	.			trans	-124.4	97.8	-175.3	-56.4	-88.1	0	0	0	110.3	Y124 C125 F126 V168 T174 V175 R231	Y124-Y172 HydrophobicContact CD1-CD1 4.25Å; Y124-Y172 HydrophobicContact CD1-CE1 4.34Å; C125-Y172 PolarHBondContact O-OH 3.19Å; F126-Y172 HydrophobicContact CD1-CD1 4.46Å; F126-Y172 AromaticContact CD1-CD2 3.78Å; F126-Y172 HydrophobicContact CD1-CD2 3.78Å; F126-Y172 HydrophobicContact CD1-CE1 4.37Å; F126-Y172 AromaticContact CD1-CE2 3.69Å; F126-Y172 HydrophobicContact CD1-CE2 3.69Å; F126-Y172 HydrophobicContact CD1-CG 4.18Å; F126-Y172 HydrophobicContact CE1-CD1 4.31Å; F126-Y172 HydrophobicContact CE1-CD2 4.21Å; F126-Y172 HydrophobicContact CE1-CE2 4.43Å; F126-Y172 HydrophobicContact CE1-CG 4.16Å; V168-Y172 HydrophobicContact CB-CD2 4.46Å; V168-Y172 HydrophobicContact CG1-CD2 4.12Å; V168-Y172 WeakPolarHBondContact O-CB 3.5Å; V168-Y172 PolarHBondContact O-N 2.89Å; Y172-T174 VanDerWaalsContact C-N 3.34Å; Y172-T174 PolarHBondContact O-N 2.87Å; Y172-V175 HydrophobicContact CG-CG2 4.41Å; Y172-V175 PolarHBondContact O-N 2.71Å; Y172-R231 PolarHBondContact O-NH1 2.87Å
173	K	89.5	Confident	94.2	Very high	166 Å²	166	26.8 Å²	26.8	72%	0.722	13%	0.131	S	C	*	.	S	Bend	trans	-66.2	-31.7	-173	-66	-174.1	178.9	-178.5	0	114	R231	K173-R231 WeakPolarHBondContact O-CD 3.47Å; K173-R231 PolarHBondContact O-NE 3.16Å
174	T	90.9	Very high	94.1	Very high	82 Å²	82	27.9 Å²	27.9	50%	0.503	15%	0.146	S	C	.	.	S	Bend	trans	-88.6	-27.6	-177.4	53.3	0	0	0	0	112.5	Y172 N274	Y172-T174 VanDerWaalsContact C-N 3.34Å; Y172-T174 PolarHBondContact O-N 2.87Å; T174-N274 WeakPolarHBondContact O-CB 3.26Å
175	V	94.5	Very high	93.8	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	17%	0.167	C	C	.	.			trans	-70.2	135.5	-170.4	172.6	0	0	0	0	111.4	Y124 F126 V168 Y172 R231 K276	Y124-V175 HydrophobicContact CD1-CG2 4.48Å; Y124-V175 HydrophobicContact CE1-CG2 4.24Å; F126-V175 HydrophobicContact CE1-CB 4.48Å; F126-V175 HydrophobicContact CE1-CG1 3.99Å; F126-V175 HydrophobicContact CE1-CG2 4.02Å; F126-V175 HydrophobicContact CZ-CG1 4Å; F126-V175 HydrophobicContact CZ-CG2 4.34Å; V168-V175 HydrophobicContact CG1-CB 4.45Å; V168-V175 HydrophobicContact CG1-CG1 3.89Å; Y172-V175 HydrophobicContact CG-CG2 4.41Å; Y172-V175 PolarHBondContact O-N 2.71Å; V175-R231 PolarHBondContact O-NH1 3.34Å; V175-K276 HydrophobicContact CG1-CB 4.01Å
176	S	95.8	Very high	93.7	Very high	4 Å²	4	34 Å²	34	3%	0.028	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	148.4	173.3	-63.6	0	0	0	0	111.3	R231 F271 N274 C275 K276	S176-R231 CarbonylContact C-O 3.48Å; S176-R231 VanDerWaalsContact CA-O 3.25Å; S176-R231 WeakPolarHBondContact CA-O 3.49Å; S176-F271 WeakPolarHBondContact CB-O 3.14Å; S176-F271 PolarHBondContact OG-O 3.35Å; S176-N274 PolarHBondContact N-O 3.35Å; S176-C275 WeakPolarHBondContact O-CA 3.49Å; S176-K276 PolarHBondContact O-N 3.02Å; S176-K276 VanDerWaalsContact O-N 3.16Å
177	I	97.5	Very high	93.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.1	-173.5	-52.5	179.1	0	0	0	109.7	C165 V168 L169 R231 I232 R233 F271 L277 I279	C165-I177 HydrophobicContact CB-CD1 4.28Å; V168-I177 HydrophobicContact CB-CD1 3.86Å; V168-I177 HydrophobicContact CG1-CD1 3.81Å; V168-I177 HydrophobicContact CG1-CG1 4.19Å; L169-I177 HydrophobicContact CD1-CD1 4.46Å; L169-I177 HydrophobicContact CD2-CD1 3.93Å; L169-I177 HydrophobicContact CD2-CG1 4.31Å; L169-I177 HydrophobicContact CG-CD1 3.72Å; I177-R231 PolarHBondContact N-O 2.93Å; I177-I232 HydrophobicContact CB-CG1 4.18Å; I177-I232 HydrophobicContact CG2-CD1 4.39Å; I177-I232 HydrophobicContact CG2-CG1 4.39Å; I177-I232 WeakPolarHBondContact O-CA 3.15Å; I177-R233 PolarHBondContact O-N 2.85Å; I177-F271 WeakPolarHBondContact O-CZ 3.28Å; I177-L277 WeakPolarHBondContact CA-O 3.14Å; I177-L277 HydrophobicContact CD1-CD2 4.2Å; I177-L277 HydrophobicContact CG1-CB 4.32Å; I177-L277 HydrophobicContact CG1-CD2 4.37Å; I177-L277 HydrophobicContact CG2-CB 4.38Å; I177-L277 HydrophobicContact CG2-CD2 4.23Å; I177-L277 HydrophobicContact CG2-CG 4.19Å; I177-I279 HydrophobicContact CG2-CD1 4.11Å
178	V	97.9	Very high	93.5	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.3	167.9	178.4	0	0	0	0	109.3	L180 R233 I250 F271 F272 L277 I278 I279	V178-L180 HydrophobicContact CG1-CD2 3.85Å; V178-L180 HydrophobicContact CG1-CG 4.22Å; V178-R233 CarbonylContact C-O 3.53Å; V178-R233 WeakPolarHBondContact CA-O 3.18Å; V178-I250 HydrophobicContact CG1-CD1 3.7Å; V178-I250 HydrophobicContact CG1-CG1 4.43Å; V178-F271 HydrophobicContact CG2-CE1 3.7Å; V178-F271 HydrophobicContact CG2-CZ 4.01Å; V178-F272 HydrophobicContact CG2-CE1 4.22Å; V178-L277 PolarHBondContact N-O 3.31Å; V178-I278 HydrophobicContact CB-CG1 4.4Å; V178-I278 CarbonylContact O-C 3.58Å; V178-I278 WeakPolarHBondContact O-CA 3.46Å; V178-I279 PolarHBondContact O-N 3.01Å
179	Y	98	Very high	93.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	116.3	175.5	-161.7	-74.4	0	0	0	109.2	C161 L162 D181 F186 R233 C234 C235 I279 D281	C161-Y179 HydrophobicContact CB-CE2 3.89Å; L162-Y179 HydrophobicContact CD2-CE2 4.46Å; Y179-D181 HydrophobicContact CD1-CB 4.03Å; Y179-D181 HydrophobicContact CE1-CB 3.98Å; Y179-F186 AromaticContact CD1-CD2 3.87Å; Y179-F186 HydrophobicContact CD1-CD2 3.87Å; Y179-F186 HydrophobicContact CD1-CG 4.46Å; Y179-F186 HydrophobicContact CD2-CD2 4.09Å; Y179-F186 HydrophobicContact CD2-CE2 4.17Å; Y179-F186 HydrophobicContact CE1-CB 4.27Å; Y179-F186 AromaticContact CE1-CD2 3.92Å; Y179-F186 HydrophobicContact CE1-CD2 3.92Å; Y179-F186 HydrophobicContact CE2-CD2 4.1Å; Y179-F186 HydrophobicContact CE2-CE2 4.45Å; Y179-F186 AromaticContact CG-CD2 3.97Å; Y179-F186 HydrophobicContact CG-CD2 3.97Å; Y179-F186 HydrophobicContact CG-CE2 4.23Å; Y179-R233 PolarHBondContact N-O 3.4Å; Y179-C234 CarbonylContact O-C 3.51Å; Y179-C234 VanDerWaalsContact O-CA 3.26Å; Y179-C234 WeakPolarHBondContact O-CA 3.35Å; Y179-C235 PolarHBondContact O-N 3.31Å; Y179-I279 HydrophobicContact CD2-CB 3.97Å; Y179-I279 HydrophobicContact CD2-CD1 4.09Å; Y179-I279 HydrophobicContact CD2-CG2 3.89Å; Y179-I279 HydrophobicContact CE2-CB 4.3Å; Y179-I279 HydrophobicContact CE2-CD1 4.4Å; Y179-I279 HydrophobicContact CE2-CG2 3.7Å; Y179-I279 HydrophobicContact CG-CB 4.48Å; Y179-D281 HydrophobicContact CE1-CB 3.95Å; Y179-D281 VanDerWaalsContact OH-CB 3.27Å; Y179-D281 WeakPolarHBondContact OH-CB 3.37Å; Y179-D281 PolarHBondContact OH-OD2 3.17Å
180	L	97.9	Very high	93.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	103.3	175.7	-60.7	-173.5	0	0	0	108.4	V178 C235 V237 L243 L247 I250 I278 I279 I280 D281	V178-L180 HydrophobicContact CG1-CD2 3.85Å; V178-L180 HydrophobicContact CG1-CG 4.22Å; L180-C235 HydrophobicContact CD2-CB 3.85Å; L180-V237 HydrophobicContact CB-CG2 3.78Å; L180-V237 HydrophobicContact CD2-CG1 4.32Å; L180-L243 HydrophobicContact CD1-CD1 3.94Å; L180-L247 HydrophobicContact CD1-CD2 3.8Å; L180-L247 HydrophobicContact CD1-CG 4.39Å; L180-I250 HydrophobicContact CD1-CD1 4.2Å; L180-I250 HydrophobicContact CD2-CD1 4.11Å; L180-I278 HydrophobicContact CD1-CG2 4.39Å; L180-I279 WeakPolarHBondContact CB-O 3.16Å; L180-I279 PolarHBondContact N-O 2.82Å; L180-I280 HydrophobicContact CB-CG1 4.35Å; L180-I280 HydrophobicContact CD1-CD1 4.5Å; L180-I280 HydrophobicContact CD1-CG1 4.21Å; L180-D281 PolarHBondContact O-N 3.11Å
181	D	96.5	Very high	93.3	Very high	6 Å²	6	47 Å²	47	3%	0.032	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	114.3	-178.3	-176.1	-2.4	0	0	0	109.8	Y179 K183 G184 D185 F186 C235 L236 V237	Y179-D181 HydrophobicContact CD1-CB 4.03Å; Y179-D181 HydrophobicContact CE1-CB 3.98Å; D181-K183 PolarHBondContact OD1-N 2.95Å; D181-G184 PolarHBondContact OD1-N 2.98Å; D181-G184 WeakPolarHBondContact OD2-CA 3.18Å; D181-G184 PolarHBondContact OD2-N 3.33Å; D181-D185 PolarHBondContact OD1-N 3.28Å; D181-D185 PolarHBondContact OD2-N 3.46Å; D181-F186 HydrophobicContact CB-CB 4.32Å; D181-F186 VanDerWaalsContact OD2-CB 3.23Å; D181-F186 WeakPolarHBondContact OD2-CB 3.26Å; D181-F186 PolarHBondContact OD2-N 3.43Å; D181-C235 PolarHBondContact N-O 3.03Å; D181-L236 CarbonylContact O-C 3.57Å; D181-L236 WeakPolarHBondContact O-CA 3.38Å; D181-V237 WeakPolarHBondContact O-CG2 3.16Å; D181-V237 PolarHBondContact O-N 2.82Å
182	T	93.5	Very high	93.2	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.025	24%	0.236	C	C	.	.	S	Bend	trans	-88.5	-11.7	-180	65.5	0	0	0	0	113.6	V237 D281 S282 I285 P286	T182-V237 WeakPolarHBondContact CA-O 3.33Å; T182-V237 WeakPolarHBondContact CB-O 3.42Å; T182-V237 HydrophobicContact CG2-CG2 3.68Å; T182-V237 WeakPolarHBondContact CG2-O 3.27Å; T182-D281 PolarHBondContact N-O 3.43Å; T182-D281 PolarHBondContact OG1-O 3.25Å; T182-S282 WeakPolarHBondContact CB-O 3.45Å; T182-S282 WeakPolarHBondContact CG2-O 3.06Å; T182-S282 PolarHBondContact OG1-N 2.86Å; T182-S282 PolarHBondContact OG1-O 3.38Å; T182-I285 WeakPolarHBondContact OG1-CB 3.35Å; T182-P286 HydrophobicContact CG2-CG 4.05Å
183	K	90.7	Very high	93.1	Very high	72 Å²	72	48 Å²	48	31%	0.313	25%	0.246	S	C	.	.	S	Bend	trans	-112.5	-25.3	-175.7	-66.6	177.8	-175.7	164.7	0	113.6	D181 D185 I285 H325	D181-K183 PolarHBondContact OD1-N 2.95Å; K183-D185 HydrophobicContact CB-CB 4.38Å; K183-D185 WeakPolarHBondContact CB-OD2 3.44Å; K183-D185 WeakPolarHBondContact CD-OD2 3.4Å; K183-I285 HydrophobicContact CD-CD1 4.29Å; K183-I285 HydrophobicContact CD-CG1 4.26Å; K183-I285 HydrophobicContact CG-CD1 4.16Å; K183-I285 HydrophobicContact CG-CG1 3.86Å; K183-H325 WeakPolarHBondContact CE-NE2 3.41Å; K183-H325 PolarHBondContact NZ-CE1 2.85Å; K183-H325 VanDerWaalsContact NZ-CE1 3.29Å; K183-H325 PolarHBondContact NZ-NE2 3.06Å
184	G	91.2	Very high	93	Very high	44 Å²	44	40.8 Å²	40.8	45%	0.454	22%	0.215	S	C	.	.	S	Bend	trans	85.1	22.4	-168.2	0	0	0	0	0	112.9	D181	D181-G184 PolarHBondContact OD1-N 2.98Å; D181-G184 WeakPolarHBondContact OD2-CA 3.18Å; D181-G184 PolarHBondContact OD2-N 3.33Å
185	D	90	Very high	92.9	Very high	84 Å²	84	37 Å²	37	45%	0.449	19%	0.191	S	C	.	.			trans	-87.9	-2.5	-178.2	-67.9	-24.3	0	0	0	112.8	D181 K183 I187	D181-D185 PolarHBondContact OD1-N 3.28Å; D181-D185 PolarHBondContact OD2-N 3.46Å; K183-D185 HydrophobicContact CB-CB 4.38Å; K183-D185 WeakPolarHBondContact CB-OD2 3.44Å; K183-D185 WeakPolarHBondContact CD-OD2 3.4Å; D185-I187 PolarHBondContact O-N 3.37Å
186	F	92.6	Very high	92.5	Very high	43 Å²	43	39.9 Å²	39.9	19%	0.189	20%	0.204	C	C	.	.			trans	-70.6	118.8	178.3	-180	-88.5	0	0	0	111.5	L162 Y179 D181 A188 L191 I232 C234	L162-F186 HydrophobicContact CD2-CD2 3.68Å; L162-F186 HydrophobicContact CD2-CE2 3.51Å; L162-F186 HydrophobicContact CD2-CZ 4.49Å; Y179-F186 AromaticContact CD1-CD2 3.87Å; Y179-F186 HydrophobicContact CD1-CD2 3.87Å; Y179-F186 HydrophobicContact CD1-CG 4.46Å; Y179-F186 HydrophobicContact CD2-CD2 4.09Å; Y179-F186 HydrophobicContact CD2-CE2 4.17Å; Y179-F186 HydrophobicContact CE1-CB 4.27Å; Y179-F186 AromaticContact CE1-CD2 3.92Å; Y179-F186 HydrophobicContact CE1-CD2 3.92Å; Y179-F186 HydrophobicContact CE2-CD2 4.1Å; Y179-F186 HydrophobicContact CE2-CE2 4.45Å; Y179-F186 AromaticContact CG-CD2 3.97Å; Y179-F186 HydrophobicContact CG-CD2 3.97Å; Y179-F186 HydrophobicContact CG-CE2 4.23Å; D181-F186 HydrophobicContact CB-CB 4.32Å; D181-F186 VanDerWaalsContact OD2-CB 3.23Å; D181-F186 WeakPolarHBondContact OD2-CB 3.26Å; D181-F186 PolarHBondContact OD2-N 3.43Å; F186-A188 HydrophobicContact CE1-CB 4.26Å; F186-L191 HydrophobicContact CZ-CD2 4.1Å; F186-I232 HydrophobicContact CE2-CD1 4.36Å; F186-I232 HydrophobicContact CZ-CD1 4.42Å; F186-C234 HydrophobicContact CD1-CB 4.08Å; F186-C234 HydrophobicContact CE1-CB 4.12Å; F186-C234 HydrophobicContact CG-CB 4.42Å; F186-C234 HydrophobicContact CZ-CB 4.48Å
187	I	92	Very high	91.5	Very high	104 Å²	104	45.9 Å²	45.9	53%	0.533	23%	0.229	S	C	.	.			trans	-116.4	115.8	177.5	-57.8	171.5	0	0	0	109.5	D185 D189 R190 L191	D185-I187 PolarHBondContact O-N 3.37Å; I187-D189 VanDerWaalsContact C-N 3.34Å; I187-D189 HydrophobicContact CG2-CB 4.31Å; I187-D189 PolarHBondContact O-N 2.85Å; I187-R190 HydrophobicContact CB-CB 4.13Å; I187-R190 HydrophobicContact CG2-CB 4.28Å; I187-R190 WeakPolarHBondContact O-CB 3.28Å; I187-R190 PolarHBondContact O-N 2.98Å; I187-L191 PolarHBondContact O-N 3.39Å
188	A	91.1	Very high	89.8	Confident	39 Å²	39	50.4 Å²	50.4	32%	0.322	25%	0.25	S	S	.	.	H	α-helix	trans	-63.2	-36.7	-177.8	0	0	0	0	0	113.1	F186 R190 L191 R192	F186-A188 HydrophobicContact CE1-CB 4.26Å; A188-R190 VanDerWaalsContact C-N 3.27Å; A188-R190 PolarHBondContact O-N 2.84Å; A188-L191 WeakPolarHBondContact O-CB 3.39Å; A188-L191 PolarHBondContact O-N 3.24Å; A188-L191 VanDerWaalsContact O-N 3.14Å; A188-R192 PolarHBondContact O-N 2.92Å
189	D	90.5	Very high	87.8	Confident	91 Å²	91	53.2 Å²	53.2	49%	0.487	27%	0.265	S	S	.	.	H	α-helix	trans	-63.7	-36.2	177.1	-66.5	-41	0	0	0	111.9	I187 L191 R192 E193	I187-D189 VanDerWaalsContact C-N 3.34Å; I187-D189 HydrophobicContact CG2-CB 4.31Å; I187-D189 PolarHBondContact O-N 2.85Å; D189-L191 VanDerWaalsContact C-N 3.31Å; D189-L191 PolarHBondContact O-N 3.16Å; D189-R192 WeakPolarHBondContact O-CB 3.14Å; D189-R192 PolarHBondContact O-N 2.83Å; D189-R192 VanDerWaalsContact O-N 3.14Å; D189-R192 IonicContact OD1-CZ 3.8Å; D189-R192 IonicContact OD1-NH1 2.7Å; D189-R192 PolarHBondContact OD1-NH1 2.92Å; D189-E193 WeakPolarHBondContact O-CG 3.26Å; D189-E193 PolarHBondContact O-N 2.94Å
190	R	92	Very high	85.3	Confident	83 Å²	83	57 Å²	57	31%	0.313	28%	0.282	S	S	.	.	H	α-helix	trans	-64.9	-37.5	174.8	-169.2	58.3	174.4	179.7	-0.8	111.7	L162 I187 A188 E193 Y194	L162-R190 HydrophobicContact CD1-CB 4.09Å; L162-R190 HydrophobicContact CD1-CG 3.77Å; I187-R190 HydrophobicContact CB-CB 4.13Å; I187-R190 HydrophobicContact CG2-CB 4.28Å; I187-R190 WeakPolarHBondContact O-CB 3.28Å; I187-R190 PolarHBondContact O-N 2.98Å; A188-R190 VanDerWaalsContact C-N 3.27Å; A188-R190 PolarHBondContact O-N 2.84Å; R190-E193 VanDerWaalsContact CD-OE2 3.23Å; R190-E193 WeakPolarHBondContact CD-OE2 3.41Å; R190-E193 IonicContact CZ-OE2 2.72Å; R190-E193 IonicContact NE-OE2 3.22Å; R190-E193 IonicContact NH1-OE2 3.89Å; R190-E193 PolarHBondContact NH1-OE2 3.31Å; R190-E193 PolarHBondContact O-N 3.25Å; R190-Y194 HydrophobicContact CG-CE2 4.06Å; R190-Y194 WeakPolarHBondContact O-CD2 3.29Å; R190-Y194 PolarHBondContact O-N 2.92Å
191	L	92.6	Very high	82.8	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-63.2	-43.2	171.9	-179.2	63.1	0	0	0	111.6	L162 C165 A166 L169 F186 I187 A188 D189 E193 Y194 L195 L229 I232	L162-L191 HydrophobicContact CD2-CB 4.35Å; C165-L191 HydrophobicContact CB-CD1 3.75Å; A166-L191 HydrophobicContact CB-CD1 3.97Å; L169-L191 HydrophobicContact CD1-CD2 4.4Å; F186-L191 HydrophobicContact CZ-CD2 4.1Å; I187-L191 PolarHBondContact O-N 3.39Å; A188-L191 WeakPolarHBondContact O-CB 3.39Å; A188-L191 PolarHBondContact O-N 3.24Å; A188-L191 VanDerWaalsContact O-N 3.14Å; D189-L191 VanDerWaalsContact C-N 3.31Å; D189-L191 PolarHBondContact O-N 3.16Å; L191-E193 VanDerWaalsContact C-N 3.31Å; L191-E193 PolarHBondContact O-N 3.22Å; L191-Y194 PolarHBondContact O-N 2.78Å; L191-L195 HydrophobicContact CG-CD1 4.25Å; L191-L195 WeakPolarHBondContact O-CG 3.06Å; L191-L195 PolarHBondContact O-N 3.45Å; L191-L229 HydrophobicContact CD2-CD2 4.48Å; L191-I232 HydrophobicContact CD2-CD1 3.88Å; L191-I232 HydrophobicContact CD2-CG2 4.19Å
192	R	90.1	Very high	80.2	Confident	85 Å²	85	73.8 Å²	73.8	32%	0.321	36%	0.357	S	S	.	.	H	α-helix	trans	-59.7	-40.6	176	-70.6	178.9	-178.4	138.9	-2	112	A188 D189 Y194 L195 K196	A188-R192 PolarHBondContact O-N 2.92Å; D189-R192 WeakPolarHBondContact O-CB 3.14Å; D189-R192 PolarHBondContact O-N 2.83Å; D189-R192 VanDerWaalsContact O-N 3.14Å; D189-R192 IonicContact OD1-CZ 3.8Å; D189-R192 IonicContact OD1-NH1 2.7Å; D189-R192 PolarHBondContact OD1-NH1 2.92Å; R192-Y194 VanDerWaalsContact C-N 3.35Å; R192-Y194 PolarHBondContact O-N 2.76Å; R192-L195 WeakPolarHBondContact O-CB 3.23Å; R192-L195 PolarHBondContact O-N 3.22Å; R192-K196 WeakPolarHBondContact O-CG 3.34Å; R192-K196 PolarHBondContact O-N 3.45Å
193	E	89.6	Confident	77.4	Confident	97 Å²	97	76.2 Å²	76.2	45%	0.453	37%	0.374	S	S	.	.	H	α-helix	trans	-59.2	-45.9	175	-72.3	175.7	-178.6	0	0	111.7	D189 R190 L191 L195 K196 K197	D189-E193 WeakPolarHBondContact O-CG 3.26Å; D189-E193 PolarHBondContact O-N 2.94Å; R190-E193 VanDerWaalsContact CD-OE2 3.23Å; R190-E193 WeakPolarHBondContact CD-OE2 3.41Å; R190-E193 IonicContact CZ-OE2 2.72Å; R190-E193 IonicContact NE-OE2 3.22Å; R190-E193 IonicContact NH1-OE2 3.89Å; R190-E193 PolarHBondContact NH1-OE2 3.31Å; R190-E193 PolarHBondContact O-N 3.25Å; L191-E193 VanDerWaalsContact C-N 3.31Å; L191-E193 PolarHBondContact O-N 3.22Å; E193-L195 VanDerWaalsContact C-N 3.34Å; E193-L195 PolarHBondContact O-N 3.44Å; E193-K196 PolarHBondContact O-N 3.3Å; E193-K197 WeakPolarHBondContact O-CB 3.36Å; E193-K197 PolarHBondContact O-N 3.05Å
194	Y	89.2	Confident	74.9	Confident	15 Å²	15	80.6 Å²	80.6	6%	0.059	40%	0.401	C	S	.	.	H	α-helix	trans	-58.8	-47.8	173.6	-76.6	-69.8	0	0	0	110.7	Q159 L162 R170 R190 L191 R192 K196 K197 I401	Q159-Y194 PolarHBondContact OE1-OH 2.65Å; L162-Y194 HydrophobicContact CB-CD2 3.87Å; L162-Y194 HydrophobicContact CB-CE2 3.81Å; L162-Y194 HydrophobicContact CD1-CE2 4.45Å; R170-Y194 PolarHBondContact NH1-O 3Å; R170-Y194 PolarHBondContact NH2-O 2.88Å; R190-Y194 HydrophobicContact CG-CE2 4.06Å; R190-Y194 WeakPolarHBondContact O-CD2 3.29Å; R190-Y194 PolarHBondContact O-N 2.92Å; L191-Y194 PolarHBondContact O-N 2.78Å; R192-Y194 VanDerWaalsContact C-N 3.35Å; R192-Y194 PolarHBondContact O-N 2.76Å; Y194-K196 VanDerWaalsContact C-N 3.26Å; Y194-K196 PolarHBondContact O-N 3.18Å; Y194-K197 PolarHBondContact O-N 2.83Å; Y194-I401 HydrophobicContact CE1-CG2 4.38Å; Y194-I401 WeakPolarHBondContact OH-CG2 3.26Å
195	L	88.8	Confident	72.7	Confident	1 Å²	1	82.3 Å²	82.3	1%	0.005	40%	0.402	C	S	.	.	H	α-helix	trans	-57.2	-35	178.8	-71.1	170.5	0	0	0	113	A166 L169 R170 L191 R192 E193 Y228	A166-L195 HydrophobicContact CB-CD2 3.92Å; A166-L195 HydrophobicContact CB-CG 4.13Å; L169-L195 HydrophobicContact CB-CD2 4.2Å; R170-L195 HydrophobicContact CG-CD2 4.04Å; R170-L195 VanDerWaalsContact CZ-CA 3.46Å; R170-L195 PolarHBondContact NH1-O 3.18Å; L191-L195 HydrophobicContact CG-CD1 4.25Å; L191-L195 WeakPolarHBondContact O-CG 3.06Å; L191-L195 PolarHBondContact O-N 3.45Å; R192-L195 WeakPolarHBondContact O-CB 3.23Å; R192-L195 PolarHBondContact O-N 3.22Å; E193-L195 VanDerWaalsContact C-N 3.34Å; E193-L195 PolarHBondContact O-N 3.44Å; L195-Y228 HydrophobicContact CD1-CD2 4.29Å; L195-Y228 HydrophobicContact CD1-CG 4.17Å; L195-Y228 HydrophobicContact CD2-CD1 4.3Å; L195-Y228 HydrophobicContact CD2-CD2 4.38Å; L195-Y228 HydrophobicContact CD2-CG 4.08Å
196	K	84.2	Confident	70.4	Confident	63 Å²	63	82.1 Å²	82.1	27%	0.274	41%	0.406	S	S	.	.	H	α-helix	trans	-77.2	-41.1	176.5	-69.6	173.8	-177	-179.3	0	112.8	R192 E193 Y194 Q198 N199 F200 I219 D225	R192-K196 WeakPolarHBondContact O-CG 3.34Å; R192-K196 PolarHBondContact O-N 3.45Å; E193-K196 PolarHBondContact O-N 3.3Å; Y194-K196 VanDerWaalsContact C-N 3.26Å; Y194-K196 PolarHBondContact O-N 3.18Å; K196-Q198 VanDerWaalsContact C-N 3.32Å; K196-Q198 PolarHBondContact O-N 3.01Å; K196-Q198 VanDerWaalsContact O-N 3.12Å; K196-N199 PolarHBondContact O-N 2.83Å; K196-N199 VanDerWaalsContact O-N 3.08Å; K196-F200 WeakPolarHBondContact O-CD2 3.44Å; K196-I219 HydrophobicContact CD-CG2 3.93Å; K196-D225 WeakPolarHBondContact CE-OD2 3.33Å; K196-D225 IonicContact NZ-OD2 3.79Å
197	K	75.8	Confident	68.2	Low	130 Å²	130	86.8 Å²	86.8	57%	0.565	44%	0.438	S	S	*	.	H	α-helix	trans	-53.9	-35.7	-170.3	-119.4	-179.8	178.9	-178.2	0	115.6	E193 Y194	E193-K197 WeakPolarHBondContact O-CB 3.36Å; E193-K197 PolarHBondContact O-N 3.05Å; Y194-K197 PolarHBondContact O-N 2.83Å
198	Q	62.6	Low	66	Low	95 Å²	95	88.9 Å²	88.9	44%	0.444	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-17.4	179.5	-62.3	-144	15	0	0	114.7	R170 K196 F200 K201	R170-Q198 VanDerWaalsContact NH1-CB 3.31Å; K196-Q198 VanDerWaalsContact C-N 3.32Å; K196-Q198 PolarHBondContact O-N 3.01Å; K196-Q198 VanDerWaalsContact O-N 3.12Å; Q198-F200 PolarHBondContact O-N 2.78Å; Q198-K201 PolarHBondContact O-N 2.93Å
199	N	54.6	Low	63.9	Low	61 Å²	61	90.1 Å²	90.1	33%	0.326	45%	0.454	S	S	.	.	H	α-helix	trans	-62.1	-31.9	174.4	-71.5	-5.7	0	0	0	110.6	K196 K201 H202 S203	K196-N199 PolarHBondContact O-N 2.83Å; K196-N199 VanDerWaalsContact O-N 3.08Å; N199-K201 PolarHBondContact O-N 3.28Å; N199-H202 PolarHBondContact O-N 2.87Å; N199-H202 VanDerWaalsContact O-N 3.11Å; N199-S203 PolarHBondContact O-N 3.18Å; N199-S203 PolarHBondContact O-OG 2.99Å
200	F	45.8	Very low	62	Low	80 Å²	80	90.3 Å²	90.3	35%	0.351	47%	0.468	S	S	.	.	H	α-helix	trans	-64.8	-18.7	174.7	-75.7	-77.4	0	0	0	115.1	K196 Q198 H202 V205 Y215 I219	K196-F200 WeakPolarHBondContact O-CD2 3.44Å; Q198-F200 PolarHBondContact O-N 2.78Å; F200-H202 VanDerWaalsContact C-N 3.33Å; F200-V205 HydrophobicContact CD1-CG2 3.79Å; F200-V205 HydrophobicContact CE1-CG2 4.27Å; F200-Y215 HydrophobicContact CE1-CE2 4.17Å; F200-Y215 HydrophobicContact CZ-CE2 4.09Å; F200-Y215 AromaticContact CZ-CZ 3.99Å; F200-Y215 WeakPolarHBondContact CZ-OH 3.27Å; F200-I219 HydrophobicContact CZ-CD1 4.44Å
201	K	45.7	Very low	60	Low	178 Å²	178	89.8 Å²	89.8	77%	0.774	47%	0.474	S	S	*	.	H	α-helix	trans	-76.9	-21.2	173.3	-80.5	-170.1	174.7	-175.2	0	112.8	Q198 N199	Q198-K201 PolarHBondContact O-N 2.93Å; N199-K201 PolarHBondContact O-N 3.28Å
202	H	41.2	Very low	58.1	Low	180 Å²	180	98.2 Å²	98.2	83%	0.833	51%	0.511	S	S	*	.	H	α-helix	trans	-111.6	-19.6	-176.3	-96.9	-64.9	0	0	0	114.6	N199 F200	N199-H202 PolarHBondContact O-N 2.87Å; N199-H202 VanDerWaalsContact O-N 3.11Å; F200-H202 VanDerWaalsContact C-N 3.33Å
203	S	35.9	Very low	56.2	Low	55 Å²	55	99.9 Å²	99.9	39%	0.385	53%	0.526	S	S	.	.	S	Bend	trans	-86.6	119.8	171.9	60.9	0	0	0	0	110.3	N199 V205	N199-S203 PolarHBondContact O-N 3.18Å; N199-S203 PolarHBondContact O-OG 2.99Å; S203-V205 VanDerWaalsContact C-N 3.29Å; S203-V205 PolarHBondContact O-N 3.42Å
204	N	37.5	Very low	54.5	Low	165 Å²	165	100.4 Å²	100.4	88%	0.882	53%	0.528	S	S	*	.			trans	-54.5	95.1	160.9	-69.2	-30.2	0	0	0	108.3	P206	N204-P206 WeakPolarHBondContact O-CD 3.25Å
205	V	45.5	Very low	52.8	Low	79 Å²	79	105.1 Å²	105.1	48%	0.479	55%	0.547	S	S	.	.			trans	-68.2	122	174.7	-176.8	0	0	0	0	106.7	F200 S203 T207	F200-V205 HydrophobicContact CD1-CG2 3.79Å; F200-V205 HydrophobicContact CE1-CG2 4.27Å; S203-V205 VanDerWaalsContact C-N 3.29Å; S203-V205 PolarHBondContact O-N 3.42Å; V205-T207 PolarHBondContact O-N 3.43Å
206	P	40.7	Very low	50.8	Low	81 Å²	81	111.1 Å²	111.1	53%	0.526	58%	0.575	S	S	.	*			trans	-63	126.3	172.8	-12.5	26.4	0	0	0	107.9	N204 N208	N204-P206 WeakPolarHBondContact O-CD 3.25Å; P206-N208 PolarHBondContact O-N 3.33Å
207	T	47.1	Very low	49.1	Very low	141 Å²	141	111.4 Å²	111.4	87%	0.865	58%	0.582	S	S	*	*	S	Bend	trans	-63.5	6.1	-177.8	16.5	0	0	0	0	115.1	V205	V205-T207 PolarHBondContact O-N 3.43Å
208	N	45.6	Very low	47.9	Very low	147 Å²	147	111.1 Å²	111.1	79%	0.786	58%	0.581	S	S	*	*			trans	-122	48.9	-172.3	-67.8	-5.1	0	0	0	113.1	P206	P206-N208 PolarHBondContact O-N 3.33Å
209	V	46.8	Very low	47.3	Very low	66 Å²	66	108.2 Å²	108.2	40%	0.4	57%	0.568	S	S	.	*			trans	-105.1	100	167.6	-175.1	0	0	0	0	108.2	E214	V209-E214 HydrophobicContact CG1-CB 3.73Å
210	A	50.6	Low	47	Very low	95 Å²	95	110.3 Å²	110.3	79%	0.785	58%	0.583	S	S	*	*			trans	-89.5	-8	-171.3	0	0	0	0	0	113.6
211	T	50.4	Low	47.1	Very low	71 Å²	71	115.7 Å²	115.7	44%	0.436	60%	0.601	S	S	.	*	S	Bend	trans	-133.2	142.5	-173.8	64.7	0	0	0	0	112.7	D213 E214 Y215	T211-D213 PolarHBondContact O-N 3.33Å; T211-E214 PolarHBondContact O-N 3.13Å; T211-E214 WeakPolarHBondContact OG1-CG 3.35Å; T211-E214 PolarHBondContact OG1-OE2 3.12Å; T211-Y215 PolarHBondContact O-N 3.44Å
212	K	52.5	Low	47.4	Very low	178 Å²	178	110.8 Å²	110.8	77%	0.774	58%	0.583	S	S	*	*	H	α-helix	trans	-56.7	-32.4	178.1	-106.7	-179.9	174.5	178.5	0	112.3	Y215 E216	K212-Y215 WeakPolarHBondContact O-CB 3.26Å; K212-Y215 PolarHBondContact O-N 3.45Å; K212-E216 PolarHBondContact O-N 2.94Å; K212-E216 VanDerWaalsContact O-N 3.08Å
213	D	50.5	Low	47.9	Very low	120 Å²	120	108.5 Å²	108.5	64%	0.642	58%	0.577	S	S	*	*	H	α-helix	trans	-76.2	-34.8	-174.2	-56.9	-19.1	0	0	0	112.1	T211 Y215 E216 T217	T211-D213 PolarHBondContact O-N 3.33Å; D213-Y215 VanDerWaalsContact C-N 3.34Å; D213-E216 PolarHBondContact O-N 2.73Å; D213-T217 PolarHBondContact O-N 2.91Å; D213-T217 PolarHBondContact O-OG1 2.96Å
214	E	53.2	Low	49.3	Very low	107 Å²	107	109.3 Å²	109.3	50%	0.5	58%	0.577	S	S	.	*	H	α-helix	trans	-69.4	-32.5	172.4	-76.1	178	150.9	0	0	112.2	V209 T211 T217 F218	V209-E214 HydrophobicContact CG1-CB 3.73Å; T211-E214 PolarHBondContact O-N 3.13Å; T211-E214 WeakPolarHBondContact OG1-CG 3.35Å; T211-E214 PolarHBondContact OG1-OE2 3.12Å; E214-T217 VanDerWaalsContact CA-OG1 3.29Å; E214-T217 WeakPolarHBondContact CA-OG1 3.2Å; E214-T217 PolarHBondContact O-OG1 2.71Å; E214-F218 WeakPolarHBondContact O-CB 3.35Å; E214-F218 PolarHBondContact O-N 3.04Å
215	Y	53.4	Low	50.9	Low	114 Å²	114	102.9 Å²	102.9	45%	0.447	54%	0.543	S	S	.	.	H	α-helix	trans	-67.6	-42.7	173.4	-174.5	-97.3	0	0	0	111.7	F200 T211 K212 D213 F218 I219	F200-Y215 HydrophobicContact CE1-CE2 4.17Å; F200-Y215 HydrophobicContact CZ-CE2 4.09Å; F200-Y215 AromaticContact CZ-CZ 3.99Å; F200-Y215 WeakPolarHBondContact CZ-OH 3.27Å; T211-Y215 PolarHBondContact O-N 3.44Å; K212-Y215 WeakPolarHBondContact O-CB 3.26Å; K212-Y215 PolarHBondContact O-N 3.45Å; D213-Y215 VanDerWaalsContact C-N 3.34Å; Y215-F218 PolarHBondContact O-N 2.69Å; Y215-I219 HydrophobicContact CD1-CD1 3.9Å; Y215-I219 HydrophobicContact CE1-CD1 3.39Å; Y215-I219 HydrophobicContact CE1-CG1 4.46Å; Y215-I219 WeakPolarHBondContact O-CG1 3.27Å; Y215-I219 PolarHBondContact O-N 2.74Å; Y215-I219 VanDerWaalsContact O-N 3.11Å
216	E	47.8	Very low	52.5	Low	127 Å²	127	106.8 Å²	106.8	59%	0.593	55%	0.554	S	S	*	*	H	α-helix	trans	-68.5	-35.3	175.8	-78.8	-173.9	170	0	0	113	K212 D213 I219 T220	K212-E216 PolarHBondContact O-N 2.94Å; K212-E216 VanDerWaalsContact O-N 3.08Å; D213-E216 PolarHBondContact O-N 2.73Å; E216-I219 PolarHBondContact O-N 3.33Å; E216-T220 PolarHBondContact O-N 2.86Å; E216-T220 PolarHBondContact O-OG1 2.98Å
217	T	48.1	Very low	54.6	Low	69 Å²	69	107.8 Å²	107.8	42%	0.423	55%	0.551	S	S	.	*	H	α-helix	trans	-70.9	-31.1	173.8	28	0	0	0	0	113.3	D213 E214 T220 R221	D213-T217 PolarHBondContact O-N 2.91Å; D213-T217 PolarHBondContact O-OG1 2.96Å; E214-T217 VanDerWaalsContact CA-OG1 3.29Å; E214-T217 WeakPolarHBondContact CA-OG1 3.2Å; E214-T217 PolarHBondContact O-OG1 2.71Å; T217-T220 VanDerWaalsContact CA-OG1 3.27Å; T217-T220 WeakPolarHBondContact CA-OG1 3.34Å; T217-T220 PolarHBondContact O-OG1 3.49Å; T217-R221 WeakPolarHBondContact O-CG 3.33Å; T217-R221 PolarHBondContact O-N 3.34Å
218	F	49.9	Very low	56.6	Low	124 Å²	124	102.4 Å²	102.4	54%	0.544	52%	0.515	S	S	.	.	H	α-helix	trans	-69	-38.1	172	-152.8	-88.6	0	0	0	111.7	E214 Y215	E214-F218 WeakPolarHBondContact O-CB 3.35Å; E214-F218 PolarHBondContact O-N 3.04Å; Y215-F218 PolarHBondContact O-N 2.69Å
219	I	50.4	Low	58.6	Low	35 Å²	35	97.7 Å²	97.7	18%	0.179	49%	0.49	C	S	.	.	H	α-helix	trans	-69.3	-34.9	176.5	-72.8	-176.7	0	0	0	112.4	K196 F200 Y215 E216	K196-I219 HydrophobicContact CD-CG2 3.93Å; F200-I219 HydrophobicContact CZ-CD1 4.44Å; Y215-I219 HydrophobicContact CD1-CD1 3.9Å; Y215-I219 HydrophobicContact CE1-CD1 3.39Å; Y215-I219 HydrophobicContact CE1-CG1 4.46Å; Y215-I219 WeakPolarHBondContact O-CG1 3.27Å; Y215-I219 PolarHBondContact O-N 2.74Å; Y215-I219 VanDerWaalsContact O-N 3.11Å; E216-I219 PolarHBondContact O-N 3.33Å
220	T	49.2	Very low	60.6	Low	105 Å²	105	99.2 Å²	99.2	64%	0.644	50%	0.499	S	S	*	.	H	α-helix	trans	-80.5	-18.2	-179.9	36.6	0	0	0	0	114	E216 T217 N222	E216-T220 PolarHBondContact O-N 2.86Å; E216-T220 PolarHBondContact O-OG1 2.98Å; T217-T220 VanDerWaalsContact CA-OG1 3.27Å; T217-T220 WeakPolarHBondContact CA-OG1 3.34Å; T217-T220 PolarHBondContact O-OG1 3.49Å; T220-N222 VanDerWaalsContact C-N 3.29Å; T220-N222 PolarHBondContact O-N 3.18Å
221	R	47.1	Very low	62.7	Low	193 Å²	193	95.7 Å²	95.7	73%	0.728	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-15.1	177.1	-86	178.9	176.3	149.7	1	114.7	T217 N223	T217-R221 WeakPolarHBondContact O-CG 3.33Å; T217-R221 PolarHBondContact O-N 3.34Å; R221-N223 PolarHBondContact O-N 2.98Å
222	N	51.3	Low	64.8	Low	75 Å²	75	93.2 Å²	93.2	40%	0.401	45%	0.45	S	S	.	.			trans	-80.9	90.4	174.8	-70	-26.5	0	0	0	110.1	T220 D224	T220-N222 VanDerWaalsContact C-N 3.29Å; T220-N222 PolarHBondContact O-N 3.18Å; N222-D224 PolarHBondContact O-N 3.33Å
223	N	53.2	Low	66.9	Low	132 Å²	132	88.2 Å²	88.2	71%	0.706	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-4.1	166.4	-84.1	-40.5	0	0	0	113.7	R221 D225 K226	R221-N223 PolarHBondContact O-N 2.98Å; N223-D225 VanDerWaalsContact C-N 3.3Å; N223-D225 PolarHBondContact O-N 3.41Å; N223-K226 PolarHBondContact O-N 2.86Å
224	D	63.9	Low	69	Low	72 Å²	72	85 Å²	85	39%	0.385	41%	0.413	S	S	.	.	H	α-helix	trans	-66.9	-25.5	-178.9	-62.9	-12.7	0	0	0	113.5	N222 K226 Q227 Y228	N222-D224 PolarHBondContact O-N 3.33Å; D224-K226 PolarHBondContact O-N 2.86Å; D224-Q227 WeakPolarHBondContact O-CB 3.45Å; D224-Q227 PolarHBondContact O-N 3.43Å; D224-Y228 HydrophobicContact CB-CE2 3.9Å; D224-Y228 WeakPolarHBondContact O-CD2 3.37Å; D224-Y228 PolarHBondContact O-N 2.92Å
225	D	71.3	Confident	71.1	Confident	30 Å²	30	82.4 Å²	82.4	16%	0.16	41%	0.405	C	S	.	.	H	α-helix	trans	-57.6	-37.5	179.5	-80.8	2	0	0	0	111.5	K196 N223 Q227 Y228 L229	K196-D225 WeakPolarHBondContact CE-OD2 3.33Å; K196-D225 IonicContact NZ-OD2 3.79Å; N223-D225 VanDerWaalsContact C-N 3.3Å; N223-D225 PolarHBondContact O-N 3.41Å; D225-Q227 VanDerWaalsContact C-N 3.33Å; D225-Q227 PolarHBondContact O-N 2.88Å; D225-Y228 PolarHBondContact O-N 3.37Å; D225-L229 VanDerWaalsContact O-CG 3.26Å; D225-L229 WeakPolarHBondContact O-CG 3.43Å; D225-L229 PolarHBondContact O-N 3.45Å; D225-L229 VanDerWaalsContact O-N 3.12Å
226	K	80.5	Confident	73.1	Confident	161 Å²	161	82.1 Å²	82.1	70%	0.7	41%	0.411	S	S	*	.	H	α-helix	trans	-63.5	-38	176.5	-82.7	-177.4	177.4	175	0	112.1	N223 D224 Y228 L229 T230	N223-K226 PolarHBondContact O-N 2.86Å; D224-K226 PolarHBondContact O-N 2.86Å; K226-Y228 VanDerWaalsContact C-N 3.33Å; K226-Y228 PolarHBondContact O-N 3.24Å; K226-L229 PolarHBondContact O-N 3.01Å; K226-T230 WeakPolarHBondContact O-CG2 3.17Å; K226-T230 PolarHBondContact O-N 2.72Å; K226-T230 VanDerWaalsContact O-N 3.08Å; K226-T230 PolarHBondContact O-OG1 2.77Å
227	Q	84.5	Confident	75.4	Confident	101 Å²	101	76 Å²	76	47%	0.472	38%	0.383	S	S	.	.	H	α-helix	trans	-68.4	-32.3	-178.9	-168.8	-173.5	22.1	0	0	112.6	D224 D225 T230 R231	D224-Q227 WeakPolarHBondContact O-CB 3.45Å; D224-Q227 PolarHBondContact O-N 3.43Å; D225-Q227 VanDerWaalsContact C-N 3.33Å; D225-Q227 PolarHBondContact O-N 2.88Å; Q227-T230 PolarHBondContact O-OG1 3.29Å; Q227-T230 VanDerWaalsContact O-OG1 3.1Å; Q227-R231 PolarHBondContact O-NE 2.82Å; Q227-R231 VanDerWaalsContact O-NE 3.13Å
228	Y	88.1	Confident	77.5	Confident	29 Å²	29	75.5 Å²	75.5	11%	0.114	38%	0.38	C	S	.	.	H	α-helix	trans	-72.3	-43.5	173.5	-60.4	-61.9	0	0	0	111.1	L169 R170 L195 D224 D225 K226 T230 R231	L169-Y228 HydrophobicContact CB-CD1 3.98Å; L169-Y228 WeakPolarHBondContact O-CE1 3.47Å; R170-Y228 HydrophobicContact CG-CE1 4.03Å; L195-Y228 HydrophobicContact CD1-CD2 4.29Å; L195-Y228 HydrophobicContact CD1-CG 4.17Å; L195-Y228 HydrophobicContact CD2-CD1 4.3Å; L195-Y228 HydrophobicContact CD2-CD2 4.38Å; L195-Y228 HydrophobicContact CD2-CG 4.08Å; D224-Y228 HydrophobicContact CB-CE2 3.9Å; D224-Y228 WeakPolarHBondContact O-CD2 3.37Å; D224-Y228 PolarHBondContact O-N 2.92Å; D225-Y228 PolarHBondContact O-N 3.37Å; K226-Y228 VanDerWaalsContact C-N 3.33Å; K226-Y228 PolarHBondContact O-N 3.24Å; Y228-T230 PolarHBondContact O-N 2.87Å; Y228-R231 PolarHBondContact O-N 3.1Å
229	L	87.5	Confident	79.6	Confident	47 Å²	47	72.6 Å²	72.6	25%	0.246	37%	0.373	C	S	.	.	H	α-helix	trans	-69.9	-27.4	-175.3	-67.4	174.5	0	0	0	113.7	L191 D225 K226 R231 I232	L191-L229 HydrophobicContact CD2-CD2 4.48Å; D225-L229 VanDerWaalsContact O-CG 3.26Å; D225-L229 WeakPolarHBondContact O-CG 3.43Å; D225-L229 PolarHBondContact O-N 3.45Å; D225-L229 VanDerWaalsContact O-N 3.12Å; K226-L229 PolarHBondContact O-N 3.01Å; L229-R231 PolarHBondContact O-N 2.68Å; L229-I232 PolarHBondContact O-N 3.36Å
230	T	90.3	Very high	81.6	Confident	99 Å²	99	73 Å²	73	61%	0.607	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-19	174.7	51.9	0	0	0	0	113.5	K226 Q227 Y228	K226-T230 WeakPolarHBondContact O-CG2 3.17Å; K226-T230 PolarHBondContact O-N 2.72Å; K226-T230 VanDerWaalsContact O-N 3.08Å; K226-T230 PolarHBondContact O-OG1 2.77Å; Q227-T230 PolarHBondContact O-OG1 3.29Å; Q227-T230 VanDerWaalsContact O-OG1 3.1Å; Y228-T230 PolarHBondContact O-N 2.87Å
231	R	93.7	Very high	83.8	Confident	21 Å²	21	69.3 Å²	69.3	8%	0.079	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	5	-177	-66.5	-177.6	-63	125.2	-14.1	113.9	L169 Y172 K173 V175 S176 I177 Q227 Y228 L229 F271	L169-R231 HydrophobicContact CD2-CB 3.77Å; L169-R231 PolarHBondContact O-NH1 2.78Å; L169-R231 PolarHBondContact O-NH2 2.95Å; Y172-R231 PolarHBondContact O-NH1 2.87Å; K173-R231 WeakPolarHBondContact O-CD 3.47Å; K173-R231 PolarHBondContact O-NE 3.16Å; V175-R231 PolarHBondContact O-NH1 3.34Å; S176-R231 CarbonylContact C-O 3.48Å; S176-R231 VanDerWaalsContact CA-O 3.25Å; S176-R231 WeakPolarHBondContact CA-O 3.49Å; I177-R231 PolarHBondContact N-O 2.93Å; Q227-R231 PolarHBondContact O-NE 2.82Å; Q227-R231 VanDerWaalsContact O-NE 3.13Å; Y228-R231 PolarHBondContact O-N 3.1Å; L229-R231 PolarHBondContact O-N 2.68Å; R231-F271 WeakPolarHBondContact O-CE2 3.34Å
232	I	95.4	Very high	86.1	Confident	19 Å²	19	64.9 Å²	64.9	10%	0.097	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130.4	171.2	-169.6	166.6	0	0	0	110.4	C165 L169 I177 F186 L191 L229	C165-I232 HydrophobicContact CB-CD1 4.13Å; L169-I232 HydrophobicContact CD1-CB 4.37Å; L169-I232 HydrophobicContact CD1-CG2 4.43Å; I177-I232 HydrophobicContact CB-CG1 4.18Å; I177-I232 HydrophobicContact CG2-CD1 4.39Å; I177-I232 HydrophobicContact CG2-CG1 4.39Å; I177-I232 WeakPolarHBondContact O-CA 3.15Å; F186-I232 HydrophobicContact CE2-CD1 4.36Å; F186-I232 HydrophobicContact CZ-CD1 4.42Å; L191-I232 HydrophobicContact CD2-CD1 3.88Å; L191-I232 HydrophobicContact CD2-CG2 4.19Å; L229-I232 PolarHBondContact O-N 3.36Å
233	R	95.6	Very high	88.3	Confident	72 Å²	72	61.3 Å²	61.3	27%	0.272	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123	170.9	-75.1	-178.2	-177.6	150	9.6	109.1	I177 V178 Y179 P267 F271	I177-R233 PolarHBondContact O-N 2.85Å; V178-R233 CarbonylContact C-O 3.53Å; V178-R233 WeakPolarHBondContact CA-O 3.18Å; Y179-R233 PolarHBondContact N-O 3.4Å; R233-P267 PolarHBondContact NH2-O 3.36Å; R233-F271 HydrophobicContact CB-CE1 4.21Å; R233-F271 HydrophobicContact CB-CE2 4.16Å; R233-F271 HydrophobicContact CB-CZ 3.64Å; R233-F271 HydrophobicContact CG-CD2 4.22Å; R233-F271 HydrophobicContact CG-CE1 4.02Å; R233-F271 HydrophobicContact CG-CE2 3.6Å; R233-F271 HydrophobicContact CG-CZ 3.49Å; R233-F271 VanDerWaalsContact CG-CZ 3.49Å
234	C	95.8	Very high	90.3	Very high	54 Å²	54	56 Å²	56	37%	0.365	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	132.3	174.1	-171.8	0	0	0	0	109.7	Y179 F186	Y179-C234 CarbonylContact O-C 3.51Å; Y179-C234 VanDerWaalsContact O-CA 3.26Å; Y179-C234 WeakPolarHBondContact O-CA 3.35Å; F186-C234 HydrophobicContact CD1-CB 4.08Å; F186-C234 HydrophobicContact CE1-CB 4.12Å; F186-C234 HydrophobicContact CG-CB 4.42Å; F186-C234 HydrophobicContact CZ-CB 4.48Å
235	C	95.7	Very high	91.9	Very high	51 Å²	51	57.2 Å²	57.2	35%	0.345	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	130.7	175.8	-59.7	0	0	0	0	109.6	Y179 L180 D181	Y179-C235 PolarHBondContact O-N 3.31Å; L180-C235 HydrophobicContact CD2-CB 3.85Å; D181-C235 PolarHBondContact N-O 3.03Å
236	L	96.6	Very high	93.1	Very high	108 Å²	108	57.1 Å²	57.1	57%	0.565	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	123.2	172.4	-173.9	71	0	0	0	109.7	D181	D181-L236 CarbonylContact O-C 3.57Å; D181-L236 WeakPolarHBondContact O-CA 3.38Å
237	V	95.7	Very high	93.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.271	C	S	.	.			trans	-130.1	70.9	-176.6	-74.9	0	0	0	0	111	L180 D181 T182 T239 H242 L243 S246	L180-V237 HydrophobicContact CB-CG2 3.78Å; L180-V237 HydrophobicContact CD2-CG1 4.32Å; D181-V237 WeakPolarHBondContact O-CG2 3.16Å; D181-V237 PolarHBondContact O-N 2.82Å; T182-V237 WeakPolarHBondContact CA-O 3.33Å; T182-V237 WeakPolarHBondContact CB-O 3.42Å; T182-V237 HydrophobicContact CG2-CG2 3.68Å; T182-V237 WeakPolarHBondContact CG2-O 3.27Å; V237-T239 VanDerWaalsContact C-N 3.3Å; V237-T239 PolarHBondContact O-N 3.41Å; V237-H242 HydrophobicContact CB-CB 4.28Å; V237-H242 HydrophobicContact CG1-CB 4.28Å; V237-L243 HydrophobicContact CB-CB 4.37Å; V237-L243 HydrophobicContact CB-CD1 4.47Å; V237-L243 HydrophobicContact CG2-CD1 4.22Å; V237-S246 VanDerWaalsContact CG1-OG 3.25Å; V237-S246 WeakPolarHBondContact CG1-OG 3.48Å
238	P	92.4	Very high	94.4	Very high	57 Å²	57	47 Å²	47	37%	0.37	26%	0.26	S	S	.	.			trans	-75.1	-18.7	-167.5	29.2	-32.2	0	0	0	113.7
239	T	93.6	Very high	94.8	Very high	64 Å²	64	48.8 Å²	48.8	39%	0.393	27%	0.274	S	S	.	.	S	Bend	trans	-129.3	165.9	-175.2	71.7	0	0	0	0	111.3	V237 G241 H242 L243	V237-T239 VanDerWaalsContact C-N 3.3Å; V237-T239 PolarHBondContact O-N 3.41Å; T239-G241 VanDerWaalsContact C-N 3.32Å; T239-G241 PolarHBondContact O-N 3.45Å; T239-G241 PolarHBondContact OG1-N 3.45Å; T239-H242 PolarHBondContact O-N 2.85Å; T239-H242 PolarHBondContact OG1-N 2.91Å; T239-H242 PolarHBondContact OG1-ND1 3.32Å; T239-L243 PolarHBondContact O-N 3.28Å
240	F	93.1	Very high	95.2	Very high	42 Å²	42	46.9 Å²	46.9	18%	0.184	26%	0.264	C	S	.	.	H	α-helix	trans	-53.8	-45.5	173.6	166.9	-101.6	0	0	0	112.9	L243 I244 P286 F287 Q301 L304 I305	F240-L243 PolarHBondContact O-N 3.01Å; F240-I244 HydrophobicContact CE1-CG2 4.24Å; F240-I244 HydrophobicContact CE2-CB 4.39Å; F240-I244 HydrophobicContact CZ-CB 4.32Å; F240-I244 HydrophobicContact CZ-CG2 4.22Å; F240-I244 WeakPolarHBondContact O-CG2 3.24Å; F240-I244 PolarHBondContact O-N 2.64Å; F240-P286 HydrophobicContact CB-CB 4.36Å; F240-F287 AromaticContact CD2-CE1 3.85Å; F240-F287 HydrophobicContact CD2-CE1 3.85Å; F240-F287 HydrophobicContact CD2-CZ 4.21Å; F240-F287 HydrophobicContact CE2-CE1 4.46Å; F240-Q301 HydrophobicContact CD1-CG 4.16Å; F240-Q301 HydrophobicContact CD2-CB 3.81Å; F240-Q301 HydrophobicContact CD2-CG 4.25Å; F240-Q301 HydrophobicContact CE1-CB 4.43Å; F240-Q301 HydrophobicContact CE1-CG 3.98Å; F240-Q301 HydrophobicContact CE2-CB 3.58Å; F240-Q301 HydrophobicContact CE2-CG 4.05Å; F240-Q301 WeakPolarHBondContact CE2-O 3.46Å; F240-Q301 HydrophobicContact CG-CB 4.32Å; F240-Q301 HydrophobicContact CG-CG 4.29Å; F240-Q301 HydrophobicContact CZ-CB 3.93Å; F240-Q301 HydrophobicContact CZ-CG 3.93Å; F240-L304 HydrophobicContact CZ-CD1 4.15Å; F240-I305 HydrophobicContact CD2-CD1 4.37Å; F240-I305 HydrophobicContact CD2-CG1 4.16Å; F240-I305 HydrophobicContact CE2-CD1 4.08Å; F240-I305 HydrophobicContact CE2-CG1 3.85Å
241	G	94.9	Very high	95.4	Very high	28 Å²	28	44.5 Å²	44.5	29%	0.289	24%	0.244	S	C	.	.	H	α-helix	trans	-56.1	-56.6	179	0	0	0	0	0	112.5	T239 L243 I244 D245	T239-G241 VanDerWaalsContact C-N 3.32Å; T239-G241 PolarHBondContact O-N 3.45Å; T239-G241 PolarHBondContact OG1-N 3.45Å; G241-L243 VanDerWaalsContact C-N 3.26Å; G241-L243 PolarHBondContact O-N 3.4Å; G241-I244 WeakPolarHBondContact O-CG2 3.37Å; G241-I244 PolarHBondContact O-N 3.18Å; G241-D245 WeakPolarHBondContact O-CB 3.45Å; G241-D245 VanDerWaalsContact O-CG 3.24Å; G241-D245 PolarHBondContact O-N 2.92Å
242	H	95.6	Very high	95.4	Very high	100 Å²	100	49.3 Å²	49.3	46%	0.463	27%	0.269	S	S	.	.	H	α-helix	trans	-54.1	-40	174.9	-66.4	94.6	0	0	0	113.5	V237 T239 S246	V237-H242 HydrophobicContact CB-CB 4.28Å; V237-H242 HydrophobicContact CG1-CB 4.28Å; T239-H242 PolarHBondContact O-N 2.85Å; T239-H242 PolarHBondContact OG1-N 2.91Å; T239-H242 PolarHBondContact OG1-ND1 3.32Å; H242-S246 WeakPolarHBondContact O-CB 3.46Å; H242-S246 PolarHBondContact O-N 3.04Å; H242-S246 PolarHBondContact O-OG 2.88Å
243	L	96.5	Very high	95.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.9	-50	179	-179.6	64.8	0	0	0	111.6	L180 V237 T239 F240 G241 S246 L247 I280 L283 P286 I305	L180-L243 HydrophobicContact CD1-CD1 3.94Å; V237-L243 HydrophobicContact CB-CB 4.37Å; V237-L243 HydrophobicContact CB-CD1 4.47Å; V237-L243 HydrophobicContact CG2-CD1 4.22Å; T239-L243 PolarHBondContact O-N 3.28Å; F240-L243 PolarHBondContact O-N 3.01Å; G241-L243 VanDerWaalsContact C-N 3.26Å; G241-L243 PolarHBondContact O-N 3.4Å; L243-S246 PolarHBondContact O-N 2.72Å; L243-L247 HydrophobicContact CD1-CD1 4.4Å; L243-L247 HydrophobicContact CD1-CG 4.43Å; L243-L247 HydrophobicContact CG-CD1 4.32Å; L243-L247 WeakPolarHBondContact O-CG 3.42Å; L243-L247 PolarHBondContact O-N 2.58Å; L243-I280 HydrophobicContact CD1-CG2 4.25Å; L243-L283 HydrophobicContact CD2-CD1 3.63Å; L243-P286 HydrophobicContact CD2-CG 4.2Å; L243-I305 HydrophobicContact CB-CD1 4.48Å; L243-I305 HydrophobicContact CD2-CD1 3.88Å; L243-I305 HydrophobicContact CD2-CG1 4.22Å; L243-I305 HydrophobicContact CD2-CG2 4.37Å; L243-I305 HydrophobicContact CG-CD1 3.87Å
244	I	95.9	Very high	95.1	Very high	22 Å²	22	48.2 Å²	48.2	11%	0.113	27%	0.266	C	S	.	.	H	α-helix	trans	-64.1	-43.1	-179.7	-171	68.3	0	0	0	110.8	F240 G241 S246 L247 I248 I305 E308	F240-I244 HydrophobicContact CE1-CG2 4.24Å; F240-I244 HydrophobicContact CE2-CB 4.39Å; F240-I244 HydrophobicContact CZ-CB 4.32Å; F240-I244 HydrophobicContact CZ-CG2 4.22Å; F240-I244 WeakPolarHBondContact O-CG2 3.24Å; F240-I244 PolarHBondContact O-N 2.64Å; G241-I244 WeakPolarHBondContact O-CG2 3.37Å; G241-I244 PolarHBondContact O-N 3.18Å; I244-S246 VanDerWaalsContact C-N 3.33Å; I244-S246 PolarHBondContact O-N 2.94Å; I244-L247 PolarHBondContact O-N 2.93Å; I244-I248 HydrophobicContact CD1-CD1 4.37Å; I244-I248 HydrophobicContact CD1-CG1 4.49Å; I244-I248 HydrophobicContact CG1-CD1 3.86Å; I244-I248 HydrophobicContact CG1-CG1 4.36Å; I244-I248 VanDerWaalsContact O-CG1 3.26Å; I244-I248 WeakPolarHBondContact O-CG1 3.36Å; I244-I248 PolarHBondContact O-N 3.29Å; I244-I305 HydrophobicContact CB-CD1 3.83Å; I244-I305 HydrophobicContact CD1-CD1 3.72Å; I244-I305 HydrophobicContact CG1-CD1 4.35Å; I244-E308 HydrophobicContact CD1-CB 4.45Å; I244-E308 HydrophobicContact CD1-CG 3.86Å
245	D	96.8	Very high	94.9	Very high	97 Å²	97	47.5 Å²	47.5	52%	0.519	26%	0.259	S	S	.	.	H	α-helix	trans	-63	-41.4	178.9	-68.5	-19.7	0	0	0	111.3	G241 I248 T249	G241-D245 WeakPolarHBondContact O-CB 3.45Å; G241-D245 VanDerWaalsContact O-CG 3.24Å; G241-D245 PolarHBondContact O-N 2.92Å; D245-I248 PolarHBondContact O-N 2.84Å; D245-T249 VanDerWaalsContact O-CB 3.24Å; D245-T249 WeakPolarHBondContact O-CB 3.25Å; D245-T249 PolarHBondContact O-N 2.79Å; D245-T249 PolarHBondContact O-OG1 2.72Å
246	S	96.8	Very high	94.6	Very high	27 Å²	27	49.7 Å²	49.7	19%	0.189	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-45.2	175.8	-63.8	0	0	0	0	111.6	V237 H242 L243 I244 T249 I250	V237-S246 VanDerWaalsContact CG1-OG 3.25Å; V237-S246 WeakPolarHBondContact CG1-OG 3.48Å; H242-S246 WeakPolarHBondContact O-CB 3.46Å; H242-S246 PolarHBondContact O-N 3.04Å; H242-S246 PolarHBondContact O-OG 2.88Å; L243-S246 PolarHBondContact O-N 2.72Å; I244-S246 VanDerWaalsContact C-N 3.33Å; I244-S246 PolarHBondContact O-N 2.94Å; S246-T249 PolarHBondContact O-N 2.78Å; S246-I250 WeakPolarHBondContact O-CB 3.22Å; S246-I250 VanDerWaalsContact O-CD1 3.29Å; S246-I250 WeakPolarHBondContact O-CD1 3.44Å; S246-I250 WeakPolarHBondContact O-CG1 3.33Å; S246-I250 PolarHBondContact O-N 2.9Å
247	L	96.7	Very high	94.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.3	-43.6	177.8	-69.5	175.7	0	0	0	112	L180 L243 I244 T249 I250 R251 I280 I305 L309 I312	L180-L247 HydrophobicContact CD1-CD2 3.8Å; L180-L247 HydrophobicContact CD1-CG 4.39Å; L243-L247 HydrophobicContact CD1-CD1 4.4Å; L243-L247 HydrophobicContact CD1-CG 4.43Å; L243-L247 HydrophobicContact CG-CD1 4.32Å; L243-L247 WeakPolarHBondContact O-CG 3.42Å; L243-L247 PolarHBondContact O-N 2.58Å; I244-L247 PolarHBondContact O-N 2.93Å; L247-T249 VanDerWaalsContact C-N 3.34Å; L247-I250 PolarHBondContact O-N 3.07Å; L247-R251 PolarHBondContact O-N 3.26Å; L247-I280 HydrophobicContact CD2-CD1 4.43Å; L247-I305 HydrophobicContact CD1-CD1 3.8Å; L247-I305 HydrophobicContact CD1-CG2 3.97Å; L247-L309 HydrophobicContact CD1-CD2 3.78Å; L247-L309 HydrophobicContact CD1-CG 4.17Å; L247-L309 HydrophobicContact CD2-CD2 3.64Å; L247-L309 HydrophobicContact CG-CD2 4.38Å; L247-I312 HydrophobicContact CB-CD1 4.15Å; L247-I312 HydrophobicContact CD2-CD1 4.07Å
248	I	96.2	Very high	93.8	Very high	49 Å²	49	48 Å²	48	25%	0.251	25%	0.252	S	S	.	.	H	α-helix	trans	-62.4	-44.6	176.4	-66.7	172.2	0	0	0	110.4	I244 D245 R251 M252	I244-I248 HydrophobicContact CD1-CD1 4.37Å; I244-I248 HydrophobicContact CD1-CG1 4.49Å; I244-I248 HydrophobicContact CG1-CD1 3.86Å; I244-I248 HydrophobicContact CG1-CG1 4.36Å; I244-I248 VanDerWaalsContact O-CG1 3.26Å; I244-I248 WeakPolarHBondContact O-CG1 3.36Å; I244-I248 PolarHBondContact O-N 3.29Å; D245-I248 PolarHBondContact O-N 2.84Å; I248-R251 WeakPolarHBondContact O-CB 3.36Å; I248-R251 PolarHBondContact O-N 2.82Å; I248-M252 HydrophobicContact CG2-CG 4.5Å; I248-M252 HydrophobicContact CG2-SD 4.19Å; I248-M252 WeakPolarHBondContact O-CG 3.3Å; I248-M252 PolarHBondContact O-N 2.82Å
249	T	95.9	Very high	93.3	Very high	67 Å²	67	54.9 Å²	54.9	41%	0.411	27%	0.271	S	S	.	.	H	α-helix	trans	-63	-44.6	179.1	-59.8	0	0	0	0	111.1	D245 S246 L247 R251 M252 H253	D245-T249 VanDerWaalsContact O-CB 3.24Å; D245-T249 WeakPolarHBondContact O-CB 3.25Å; D245-T249 PolarHBondContact O-N 2.79Å; D245-T249 PolarHBondContact O-OG1 2.72Å; S246-T249 PolarHBondContact O-N 2.78Å; L247-T249 VanDerWaalsContact C-N 3.34Å; T249-R251 PolarHBondContact O-N 3.46Å; T249-M252 PolarHBondContact O-N 2.76Å; T249-H253 PolarHBondContact O-CD2 3.47Å; T249-H253 PolarHBondContact O-N 2.78Å
250	I	95.7	Very high	92.7	Very high	8 Å²	8	56.2 Å²	56.2	4%	0.041	27%	0.272	C	S	.	.	H	α-helix	trans	-59.3	-48.1	175.8	-69.2	159.1	0	0	0	110.6	V178 L180 S246 L247 M252 H253 I254 F272 I278	V178-I250 HydrophobicContact CG1-CD1 3.7Å; V178-I250 HydrophobicContact CG1-CG1 4.43Å; L180-I250 HydrophobicContact CD1-CD1 4.2Å; L180-I250 HydrophobicContact CD2-CD1 4.11Å; S246-I250 WeakPolarHBondContact O-CB 3.22Å; S246-I250 VanDerWaalsContact O-CD1 3.29Å; S246-I250 WeakPolarHBondContact O-CD1 3.44Å; S246-I250 WeakPolarHBondContact O-CG1 3.33Å; S246-I250 PolarHBondContact O-N 2.9Å; L247-I250 PolarHBondContact O-N 3.07Å; I250-M252 VanDerWaalsContact C-N 3.33Å; I250-M252 PolarHBondContact O-N 3.16Å; I250-H253 PolarHBondContact O-N 2.88Å; I250-I254 HydrophobicContact CG2-CD1 3.61Å; I250-I254 HydrophobicContact CG2-CG1 4.32Å; I250-I254 VanDerWaalsContact O-CG1 3.26Å; I250-I254 WeakPolarHBondContact O-CG1 3.4Å; I250-I254 PolarHBondContact O-N 2.79Å; I250-F272 HydrophobicContact CG1-CE1 4.25Å; I250-F272 HydrophobicContact CG2-CE1 4.4Å; I250-I278 HydrophobicContact CG2-CD1 3.87Å
251	R	94.7	Very high	91.8	Very high	49 Å²	49	59.6 Å²	59.6	19%	0.185	29%	0.292	C	S	.	.	H	α-helix	trans	-48.7	-58.7	171.6	164.6	-150.8	-5.7	-139.3	11.7	110	L247 I248 T249 H253 I254 D255 E308 R311 I312	L247-R251 PolarHBondContact O-N 3.26Å; I248-R251 WeakPolarHBondContact O-CB 3.36Å; I248-R251 PolarHBondContact O-N 2.82Å; T249-R251 PolarHBondContact O-N 3.46Å; R251-H253 PolarHBondContact O-N 2.76Å; R251-I254 PolarHBondContact O-N 3.3Å; R251-D255 WeakPolarHBondContact CG-OD2 3.14Å; R251-D255 PolarHBondContact O-N 2.69Å; R251-E308 IonicContact CZ-OE1 2.96Å; R251-E308 IonicContact CZ-OE2 3.76Å; R251-E308 VanDerWaalsContact CZ-OE2 3.28Å; R251-E308 IonicContact NE-OE2 2.71Å; R251-E308 IonicContact NH1-OE1 3.99Å; R251-E308 PolarHBondContact NH1-OE1 3.07Å; R251-E308 IonicContact NH1-OE2 2.67Å; R251-E308 PolarHBondContact NH1-OE2 2.71Å; R251-E308 IonicContact NH2-OE1 2.68Å; R251-E308 PolarHBondContact NH2-OE1 2.85Å; R251-E308 IonicContact NH2-OE2 3.29Å; R251-E308 PolarHBondContact NH2-OE2 3.05Å; R251-R311 VanDerWaalsContact CG-CZ 3.43Å; R251-R311 VanDerWaalsContact CZ-CZ 3.46Å; R251-I312 HydrophobicContact CB-CG1 4.38Å
252	M	93.3	Very high	90.8	Very high	122 Å²	122	67 Å²	67	60%	0.601	32%	0.319	S	S	*	.	H	α-helix	trans	-60.7	-38.8	-168.6	-74.1	-174.5	67.3	0	0	111.1	I248 T249 I250 K256	I248-M252 HydrophobicContact CG2-CG 4.5Å; I248-M252 HydrophobicContact CG2-SD 4.19Å; I248-M252 WeakPolarHBondContact O-CG 3.3Å; I248-M252 PolarHBondContact O-N 2.82Å; T249-M252 PolarHBondContact O-N 2.76Å; I250-M252 VanDerWaalsContact C-N 3.33Å; I250-M252 PolarHBondContact O-N 3.16Å; M252-K256 VanDerWaalsContact O-CB 3.26Å; M252-K256 WeakPolarHBondContact O-CB 3.44Å; M252-K256 PolarHBondContact O-N 2.97Å
253	H	93.7	Very high	90	Very high	66 Å²	66	68 Å²	68	31%	0.306	33%	0.327	S	S	.	.	H	α-helix	trans	-67.5	-41.4	174.4	-76	-64.3	0	0	0	113.3	T249 I250 R251 K256 A257 F272	T249-H253 PolarHBondContact O-CD2 3.47Å; T249-H253 PolarHBondContact O-N 2.78Å; I250-H253 PolarHBondContact O-N 2.88Å; R251-H253 PolarHBondContact O-N 2.76Å; H253-K256 PolarHBondContact O-N 3.31Å; H253-A257 VanDerWaalsContact O-CB 3.24Å; H253-A257 WeakPolarHBondContact O-CB 3.46Å; H253-A257 PolarHBondContact O-N 3.02Å; H253-F272 HydrophobicContact CB-CB 4Å; H253-F272 HydrophobicContact CB-CD1 4.01Å; H253-F272 HydrophobicContact CB-CD2 3.37Å; H253-F272 HydrophobicContact CB-CE1 4.31Å; H253-F272 HydrophobicContact CB-CE2 3.72Å; H253-F272 HydrophobicContact CB-CG 3.53Å; H253-F272 HydrophobicContact CB-CZ 4.18Å; H253-F272 AromaticContact CD2-CE2 3.8Å; H253-F272 AromaticContact CG-CD2 3.74Å; H253-F272 AromaticContact CG-CE2 3.7Å
254	I	92.8	Very high	88.9	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-64.3	-46.7	177	-60.9	164.7	0	0	0	110.2	I250 R251 K256 A257 Q258 F272 C275 N316	I250-I254 HydrophobicContact CG2-CD1 3.61Å; I250-I254 HydrophobicContact CG2-CG1 4.32Å; I250-I254 VanDerWaalsContact O-CG1 3.26Å; I250-I254 WeakPolarHBondContact O-CG1 3.4Å; I250-I254 PolarHBondContact O-N 2.79Å; R251-I254 PolarHBondContact O-N 3.3Å; I254-K256 VanDerWaalsContact C-N 3.32Å; I254-K256 PolarHBondContact O-N 2.71Å; I254-A257 PolarHBondContact O-N 3.18Å; I254-Q258 HydrophobicContact CG2-CG 4.3Å; I254-Q258 WeakPolarHBondContact O-CB 3.48Å; I254-Q258 VanDerWaalsContact O-CG 3.31Å; I254-Q258 WeakPolarHBondContact O-CG 3.27Å; I254-Q258 PolarHBondContact O-N 2.97Å; I254-F272 HydrophobicContact CG1-CB 4.32Å; I254-F272 HydrophobicContact CG1-CD1 4.17Å; I254-C275 HydrophobicContact CG1-CB 4.45Å; I254-N316 HydrophobicContact CD1-CB 4.44Å; I254-N316 HydrophobicContact CG2-CB 3.89Å; I254-N316 VanDerWaalsContact CG2-ND2 3.34Å; I254-N316 WeakPolarHBondContact CG2-ND2 3.2Å
255	D	90.2	Very high	87.8	Confident	39 Å²	39	75.4 Å²	75.4	21%	0.209	38%	0.375	C	S	.	.	H	α-helix	trans	-60.3	-42.2	178	-73.3	-4.6	0	0	0	111.3	R251 Q258 R259 N316	R251-D255 WeakPolarHBondContact CG-OD2 3.14Å; R251-D255 PolarHBondContact O-N 2.69Å; D255-Q258 PolarHBondContact O-N 3.27Å; D255-R259 WeakPolarHBondContact O-CG 3.43Å; D255-R259 PolarHBondContact O-N 3.35Å; D255-N316 PolarHBondContact OD1-ND2 2.85Å
256	K	90.3	Very high	87.3	Confident	97 Å²	97	72.3 Å²	72.3	42%	0.422	36%	0.361	S	S	.	.	H	α-helix	trans	-63.8	-46.1	176.2	-169.4	-171.2	-175.2	-148.4	0	111.4	M252 H253 I254 Q258 R259 H260 E269	M252-K256 VanDerWaalsContact O-CB 3.26Å; M252-K256 WeakPolarHBondContact O-CB 3.44Å; M252-K256 PolarHBondContact O-N 2.97Å; H253-K256 PolarHBondContact O-N 3.31Å; I254-K256 VanDerWaalsContact C-N 3.32Å; I254-K256 PolarHBondContact O-N 2.71Å; K256-Q258 VanDerWaalsContact C-N 3.31Å; K256-Q258 PolarHBondContact O-N 3.41Å; K256-R259 PolarHBondContact O-N 2.91Å; K256-H260 PolarHBondContact O-CD2 3.34Å; K256-H260 PolarHBondContact O-N 3.37Å; K256-E269 VanDerWaalsContact CE-OE1 3.31Å; K256-E269 WeakPolarHBondContact CE-OE1 3.36Å; K256-E269 IonicContact NZ-OE1 3.77Å; K256-E269 PolarHBondContact NZ-OE1 3.31Å
257	A	88.4	Confident	86.9	Confident	1 Å²	1	75.7 Å²	75.7	1%	0.008	38%	0.382	C	S	.	.	H	α-helix	trans	-64	-36.2	-179.9	0	0	0	0	0	112	H253 I254 H260 L261 E269 F272	H253-A257 VanDerWaalsContact O-CB 3.24Å; H253-A257 WeakPolarHBondContact O-CB 3.46Å; H253-A257 PolarHBondContact O-N 3.02Å; I254-A257 PolarHBondContact O-N 3.18Å; A257-H260 PolarHBondContact O-N 2.76Å; A257-L261 PolarHBondContact O-N 2.91Å; A257-E269 HydrophobicContact CB-CB 4.49Å; A257-E269 WeakPolarHBondContact CB-O 3.38Å; A257-F272 HydrophobicContact CB-CB 4.36Å
258	Q	85.9	Confident	86.6	Confident	73 Å²	73	78.6 Å²	78.6	34%	0.341	40%	0.4	S	S	.	.	H	α-helix	trans	-67	-35.6	175.6	-74.6	177.2	-23.7	0	0	112.9	I254 D255 K256	I254-Q258 HydrophobicContact CG2-CG 4.3Å; I254-Q258 WeakPolarHBondContact O-CB 3.48Å; I254-Q258 VanDerWaalsContact O-CG 3.31Å; I254-Q258 WeakPolarHBondContact O-CG 3.27Å; I254-Q258 PolarHBondContact O-N 2.97Å; D255-Q258 PolarHBondContact O-N 3.27Å; K256-Q258 VanDerWaalsContact C-N 3.31Å; K256-Q258 PolarHBondContact O-N 3.41Å
259	R	83.6	Confident	86.2	Confident	201 Å²	201	77 Å²	77	76%	0.758	39%	0.391	S	S	*	.	H	α-helix	trans	-71.9	-32.6	177.1	-67.9	177.6	-158	169.1	6.3	113	D255 K256	D255-R259 WeakPolarHBondContact O-CG 3.43Å; D255-R259 PolarHBondContact O-N 3.35Å; K256-R259 PolarHBondContact O-N 2.91Å
260	H	80.3	Confident	85.9	Confident	91 Å²	91	79.1 Å²	79.1	42%	0.421	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	31.9	-177.6	-66.6	-68.6	0	0	0	113.3	K256 A257 H262 N263 I264	K256-H260 PolarHBondContact O-CD2 3.34Å; K256-H260 PolarHBondContact O-N 3.37Å; A257-H260 PolarHBondContact O-N 2.76Å; H260-H262 PolarHBondContact O-N 2.89Å; H260-N263 CarbonylContact O-C 3.49Å; H260-N263 PolarHBondContact O-N 2.92Å; H260-I264 PolarHBondContact O-N 3.42Å
261	L	73.7	Confident	85.9	Confident	114 Å²	114	79.1 Å²	79.1	60%	0.597	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-30.3	-178.1	-122	150.8	0	0	0	113.5	A257	A257-L261 PolarHBondContact O-N 2.91Å
262	H	73.8	Confident	85.9	Confident	184 Å²	184	77.7 Å²	77.7	85%	0.852	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-18.5	179.7	-68.1	-71.5	0	0	0	115.1	H260	H260-H262 PolarHBondContact O-N 2.89Å
263	N	78.4	Confident	85.8	Confident	119 Å²	119	73.2 Å²	73.2	64%	0.636	37%	0.372	S	S	*	.			trans	-130.4	54.3	-176.3	-78.6	-5.6	0	0	0	111.1	H260 S265	H260-N263 CarbonylContact O-C 3.49Å; H260-N263 PolarHBondContact O-N 2.92Å; N263-S265 PolarHBondContact O-N 3.38Å; N263-S265 VanDerWaalsContact O-N 3.11Å; N263-S265 PolarHBondContact O-OG 2.98Å; N263-S265 VanDerWaalsContact O-OG 3.07Å
264	I	74.2	Confident	85.7	Confident	69 Å²	69	72.6 Å²	72.6	35%	0.354	37%	0.371	S	S	.	.			trans	-68.2	111.1	176.2	-61.9	172	0	0	0	108.1	H260 E269 E270	H260-I264 PolarHBondContact O-N 3.42Å; I264-E269 HydrophobicContact CG2-CB 4.26Å; I264-E270 HydrophobicContact CG2-CB 3.9Å
265	S	73.3	Confident	85.8	Confident	110 Å²	110	72.6 Å²	72.6	77%	0.769	37%	0.371	S	S	*	.			trans	-106.1	-19.5	-172.9	-51.4	0	0	0	0	112.4	N263	N263-S265 PolarHBondContact O-N 3.38Å; N263-S265 VanDerWaalsContact O-N 3.11Å; N263-S265 PolarHBondContact O-OG 2.98Å; N263-S265 VanDerWaalsContact O-OG 3.07Å
266	S	86.8	Confident	86.1	Confident	31 Å²	31	71.9 Å²	71.9	22%	0.217	37%	0.366	C	S	.	.	S	Bend	trans	-125.9	144.8	-174.3	66.2	0	0	0	0	113	T268 E269 E270	S266-T268 PolarHBondContact O-N 2.92Å; S266-T268 PolarHBondContact OG-OG1 3.18Å; S266-E269 PolarHBondContact N-OE2 3.24Å; S266-E269 PolarHBondContact O-N 3.22Å; S266-E269 VanDerWaalsContact O-N 3.11Å; S266-E269 WeakPolarHBondContact OG-CB 3.22Å; S266-E269 WeakPolarHBondContact OG-CG 3.46Å; S266-E269 PolarHBondContact OG-N 3.07Å; S266-E269 PolarHBondContact OG-OE2 3.36Å; S266-E270 PolarHBondContact O-N 3.22Å; S266-E270 VanDerWaalsContact O-N 3.15Å
267	P	87.6	Confident	86.4	Confident	98 Å²	98	67.3 Å²	67.3	64%	0.636	35%	0.346	S	S	*	.	H	α-helix	trans	-66	-18.9	177.7	28.1	-36	0	0	0	112.3	R233 F271	R233-P267 PolarHBondContact NH2-O 3.36Å; P267-F271 WeakPolarHBondContact O-CB 3.23Å; P267-F271 PolarHBondContact O-N 3.3Å
268	T	89.3	Confident	86.9	Confident	61 Å²	61	67.2 Å²	67.2	37%	0.374	35%	0.346	S	S	.	.	H	α-helix	trans	-72.1	-44	172.8	48.9	0	0	0	0	111.4	S266 F271 F272	S266-T268 PolarHBondContact O-N 2.92Å; S266-T268 PolarHBondContact OG-OG1 3.18Å; T268-F271 PolarHBondContact O-N 3.31Å; T268-F272 WeakPolarHBondContact O-CD2 3.3Å; T268-F272 PolarHBondContact O-N 3.42Å
269	E	88.9	Confident	87.5	Confident	16 Å²	16	63.8 Å²	63.8	8%	0.075	33%	0.329	C	S	.	.	H	α-helix	trans	-64.1	-41.3	175.6	-74.5	162.4	172.1	0	0	111.8	K256 A257 I264 S266 F271 F272 S273	K256-E269 VanDerWaalsContact CE-OE1 3.31Å; K256-E269 WeakPolarHBondContact CE-OE1 3.36Å; K256-E269 IonicContact NZ-OE1 3.77Å; K256-E269 PolarHBondContact NZ-OE1 3.31Å; A257-E269 HydrophobicContact CB-CB 4.49Å; A257-E269 WeakPolarHBondContact CB-O 3.38Å; I264-E269 HydrophobicContact CG2-CB 4.26Å; S266-E269 PolarHBondContact N-OE2 3.24Å; S266-E269 PolarHBondContact O-N 3.22Å; S266-E269 VanDerWaalsContact O-N 3.11Å; S266-E269 WeakPolarHBondContact OG-CB 3.22Å; S266-E269 WeakPolarHBondContact OG-CG 3.46Å; S266-E269 PolarHBondContact OG-N 3.07Å; S266-E269 PolarHBondContact OG-OE2 3.36Å; E269-F271 VanDerWaalsContact C-N 3.33Å; E269-F271 PolarHBondContact O-N 2.83Å; E269-F272 PolarHBondContact O-N 2.83Å; E269-S273 PolarHBondContact O-N 3.25Å; E269-S273 PolarHBondContact O-OG 2.66Å
270	E	90.3	Very high	88.1	Confident	111 Å²	111	54.2 Å²	54.2	52%	0.519	29%	0.293	S	S	.	.	H	α-helix	trans	-61.7	-40.4	175.6	-168.8	-174.2	172.4	0	0	112.5	I264 S266 S273 N274	I264-E270 HydrophobicContact CG2-CB 3.9Å; S266-E270 PolarHBondContact O-N 3.22Å; S266-E270 VanDerWaalsContact O-N 3.15Å; E270-S273 PolarHBondContact O-OG 3Å; E270-N274 PolarHBondContact O-N 3.02Å; E270-N274 PolarHBondContact O-ND2 3.03Å
271	F	94.4	Very high	88.8	Confident	9 Å²	9	50 Å²	50	4%	0.039	27%	0.274	C	S	.	.	H	α-helix	trans	-62.6	-46.1	174.7	174.9	-81.8	0	0	0	111.2	S176 I177 V178 R231 R233 P267 T268 E269 N274 C275	S176-F271 WeakPolarHBondContact CB-O 3.14Å; S176-F271 PolarHBondContact OG-O 3.35Å; I177-F271 WeakPolarHBondContact O-CZ 3.28Å; V178-F271 HydrophobicContact CG2-CE1 3.7Å; V178-F271 HydrophobicContact CG2-CZ 4.01Å; R231-F271 WeakPolarHBondContact O-CE2 3.34Å; R233-F271 HydrophobicContact CB-CE1 4.21Å; R233-F271 HydrophobicContact CB-CE2 4.16Å; R233-F271 HydrophobicContact CB-CZ 3.64Å; R233-F271 HydrophobicContact CG-CD2 4.22Å; R233-F271 HydrophobicContact CG-CE1 4.02Å; R233-F271 HydrophobicContact CG-CE2 3.6Å; R233-F271 HydrophobicContact CG-CZ 3.49Å; R233-F271 VanDerWaalsContact CG-CZ 3.49Å; P267-F271 WeakPolarHBondContact O-CB 3.23Å; P267-F271 PolarHBondContact O-N 3.3Å; T268-F271 PolarHBondContact O-N 3.31Å; E269-F271 VanDerWaalsContact C-N 3.33Å; E269-F271 PolarHBondContact O-N 2.83Å; F271-N274 CarbonylContact O-C 3.45Å; F271-N274 PolarHBondContact O-N 3.21Å; F271-C275 PolarHBondContact O-N 2.71Å
272	F	94.1	Very high	89.7	Confident	19 Å²	19	44.5 Å²	44.5	8%	0.083	25%	0.245	C	C	.	.	H	α-helix	trans	-77	-26.4	-176.2	-74.9	-67.1	0	0	0	113.3	V178 I250 H253 I254 A257 T268 E269 N274 C275	V178-F272 HydrophobicContact CG2-CE1 4.22Å; I250-F272 HydrophobicContact CG1-CE1 4.25Å; I250-F272 HydrophobicContact CG2-CE1 4.4Å; H253-F272 HydrophobicContact CB-CB 4Å; H253-F272 HydrophobicContact CB-CD1 4.01Å; H253-F272 HydrophobicContact CB-CD2 3.37Å; H253-F272 HydrophobicContact CB-CE1 4.31Å; H253-F272 HydrophobicContact CB-CE2 3.72Å; H253-F272 HydrophobicContact CB-CG 3.53Å; H253-F272 HydrophobicContact CB-CZ 4.18Å; H253-F272 AromaticContact CD2-CE2 3.8Å; H253-F272 AromaticContact CG-CD2 3.74Å; H253-F272 AromaticContact CG-CE2 3.7Å; I254-F272 HydrophobicContact CG1-CB 4.32Å; I254-F272 HydrophobicContact CG1-CD1 4.17Å; A257-F272 HydrophobicContact CB-CB 4.36Å; T268-F272 WeakPolarHBondContact O-CD2 3.3Å; T268-F272 PolarHBondContact O-N 3.42Å; E269-F272 PolarHBondContact O-N 2.83Å; F272-N274 PolarHBondContact O-N 3.33Å; F272-C275 HydrophobicContact CD1-CB 4.29Å; F272-C275 WeakPolarHBondContact O-CB 3.48Å; F272-C275 PolarHBondContact O-N 3.12Å
273	S	91.5	Very high	90.6	Very high	27 Å²	27	35.8 Å²	35.8	19%	0.189	21%	0.205	C	C	.	.	H	α-helix	trans	-62	-33.9	169.6	62.4	0	0	0	0	111.3	E269 E270	E269-S273 PolarHBondContact O-N 3.25Å; E269-S273 PolarHBondContact O-OG 2.66Å; E270-S273 PolarHBondContact O-OG 3Å
274	N	92.9	Very high	91.2	Very high	53 Å²	53	30.2 Å²	30.2	28%	0.283	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	0.9	-179.6	-69.2	-39	0	0	0	114.1	T174 S176 E270 F271 F272 K276	T174-N274 WeakPolarHBondContact O-CB 3.26Å; S176-N274 PolarHBondContact N-O 3.35Å; E270-N274 PolarHBondContact O-N 3.02Å; E270-N274 PolarHBondContact O-ND2 3.03Å; F271-N274 CarbonylContact O-C 3.45Å; F271-N274 PolarHBondContact O-N 3.21Å; F272-N274 PolarHBondContact O-N 3.33Å; N274-K276 PolarHBondContact O-N 3.36Å
275	C	95	Very high	91.9	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.007	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	114	-179.9	179.6	0	0	0	0	109.8	S176 I254 F271 F272 C318	S176-C275 WeakPolarHBondContact O-CA 3.49Å; I254-C275 HydrophobicContact CG1-CB 4.45Å; F271-C275 PolarHBondContact O-N 2.71Å; F272-C275 HydrophobicContact CD1-CB 4.29Å; F272-C275 WeakPolarHBondContact O-CB 3.48Å; F272-C275 PolarHBondContact O-N 3.12Å; C275-C318 PolarHBondContact O-SG 2.79Å
276	K	95.5	Very high	92.7	Very high	25 Å²	25	24.4 Å²	24.4	11%	0.109	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	-8.3	-178.1	-62.8	-67.9	168.7	-173.8	0	114.6	Y124 F126 V175 S176 N274 N316 H317 C318 A319	Y124-K276 HydrophobicContact CD2-CD 4.35Å; Y124-K276 HydrophobicContact CD2-CG 4.24Å; Y124-K276 HydrophobicContact CE2-CD 4.37Å; Y124-K276 HydrophobicContact CE2-CG 4.21Å; F126-K276 HydrophobicContact CE2-CB 4.14Å; F126-K276 WeakPolarHBondContact CE2-O 3.47Å; F126-K276 HydrophobicContact CZ-CB 3.65Å; V175-K276 HydrophobicContact CG1-CB 4.01Å; S176-K276 PolarHBondContact O-N 3.02Å; S176-K276 VanDerWaalsContact O-N 3.16Å; N274-K276 PolarHBondContact O-N 3.36Å; K276-N316 PolarHBondContact NZ-O 3.09Å; K276-N316 VanDerWaalsContact NZ-O 3.14Å; K276-H317 WeakPolarHBondContact CD-O 3.44Å; K276-C318 CarbonylContact O-C 3.39Å; K276-C318 WeakPolarHBondContact O-CA 3.46Å; K276-A319 PolarHBondContact O-N 3.47Å
277	L	97.4	Very high	92.7	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127.3	174.2	177.4	61.4	0	0	0	110	F126 V164 V168 I177 V178 I279 A319	F126-L277 HydrophobicContact CD2-CB 4.49Å; F126-L277 HydrophobicContact CE2-CB 4.26Å; V164-L277 HydrophobicContact CG1-CD2 4.09Å; V168-L277 HydrophobicContact CB-CD2 4.36Å; V168-L277 HydrophobicContact CG1-CD2 4.44Å; V168-L277 HydrophobicContact CG2-CD2 3.92Å; I177-L277 WeakPolarHBondContact CA-O 3.14Å; I177-L277 HydrophobicContact CD1-CD2 4.2Å; I177-L277 HydrophobicContact CG1-CB 4.32Å; I177-L277 HydrophobicContact CG1-CD2 4.37Å; I177-L277 HydrophobicContact CG2-CB 4.38Å; I177-L277 HydrophobicContact CG2-CD2 4.23Å; I177-L277 HydrophobicContact CG2-CG 4.19Å; V178-L277 PolarHBondContact N-O 3.31Å; L277-I279 HydrophobicContact CD1-CG1 4.32Å; L277-I279 HydrophobicContact CD2-CD1 4.16Å; L277-I279 HydrophobicContact CD2-CG1 4.38Å; L277-I279 HydrophobicContact CG-CD1 4.39Å; L277-I279 HydrophobicContact CG-CG1 4.11Å; L277-A319 WeakPolarHBondContact CA-O 3.49Å; L277-A319 HydrophobicContact CD1-CB 3.96Å
278	I	98	Very high	92.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.6	173.9	-57.2	173.5	0	0	0	108	V178 L180 I250 I312 C318 A319 I320 L321	V178-I278 HydrophobicContact CB-CG1 4.4Å; V178-I278 CarbonylContact O-C 3.58Å; V178-I278 WeakPolarHBondContact O-CA 3.46Å; L180-I278 HydrophobicContact CD1-CG2 4.39Å; I250-I278 HydrophobicContact CG2-CD1 3.87Å; I278-I312 HydrophobicContact CD1-CG2 3.45Å; I278-I312 VanDerWaalsContact CD1-CG2 3.45Å; I278-C318 HydrophobicContact CD1-CB 4.34Å; I278-A319 PolarHBondContact N-O 2.77Å; I278-I320 CarbonylContact O-C 3.59Å; I278-I320 WeakPolarHBondContact O-CA 3.42Å; I278-L321 PolarHBondContact O-N 3.46Å
279	I	97.9	Very high	91.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.8	179.5	-61.2	170.6	0	0	0	108.7	C161 C165 I177 V178 Y179 L180 L277 L321	C161-I279 HydrophobicContact CB-CG2 3.95Å; C165-I279 WeakPolarHBondContact SG-CD1 3.45Å; I177-I279 HydrophobicContact CG2-CD1 4.11Å; V178-I279 PolarHBondContact O-N 3.01Å; Y179-I279 HydrophobicContact CD2-CB 3.97Å; Y179-I279 HydrophobicContact CD2-CD1 4.09Å; Y179-I279 HydrophobicContact CD2-CG2 3.89Å; Y179-I279 HydrophobicContact CE2-CB 4.3Å; Y179-I279 HydrophobicContact CE2-CD1 4.4Å; Y179-I279 HydrophobicContact CE2-CG2 3.7Å; Y179-I279 HydrophobicContact CG-CB 4.48Å; L180-I279 WeakPolarHBondContact CB-O 3.16Å; L180-I279 PolarHBondContact N-O 2.82Å; L277-I279 HydrophobicContact CD1-CG1 4.32Å; L277-I279 HydrophobicContact CD2-CD1 4.16Å; L277-I279 HydrophobicContact CD2-CG1 4.38Å; L277-I279 HydrophobicContact CG-CD1 4.39Å; L277-I279 HydrophobicContact CG-CG1 4.11Å; I279-L321 CarbonylContact C-O 3.51Å; I279-L321 VanDerWaalsContact CA-O 3.27Å; I279-L321 WeakPolarHBondContact CA-O 3.29Å; I279-L321 HydrophobicContact CG1-CB 4.13Å; I279-L321 HydrophobicContact CG1-CD2 4.29Å
280	I	97.4	Very high	91.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	107.2	176.2	-49.7	-178.7	0	0	0	108.6	L180 L243 L247 L283 L309 L321 V322 T323	L180-I280 HydrophobicContact CB-CG1 4.35Å; L180-I280 HydrophobicContact CD1-CD1 4.5Å; L180-I280 HydrophobicContact CD1-CG1 4.21Å; L243-I280 HydrophobicContact CD1-CG2 4.25Å; L247-I280 HydrophobicContact CD2-CD1 4.43Å; I280-L283 HydrophobicContact CG2-CB 4.1Å; I280-L283 HydrophobicContact CG2-CD1 4.43Å; I280-L309 HydrophobicContact CD1-CD1 4.11Å; I280-L309 HydrophobicContact CD1-CD2 3.54Å; I280-L309 HydrophobicContact CD1-CG 4.47Å; I280-L321 PolarHBondContact N-O 3.24Å; I280-V322 HydrophobicContact CB-CG1 4.42Å; I280-V322 HydrophobicContact CB-CG2 4.34Å; I280-V322 HydrophobicContact CD1-CG2 4.26Å; I280-V322 HydrophobicContact CG1-CG2 4.46Å; I280-V322 WeakPolarHBondContact O-CA 3.25Å; I280-T323 PolarHBondContact O-N 3.44Å
281	D	95.4	Very high	90.6	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.011	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	100.2	-178.9	-172.7	26.9	0	0	0	110.7	T158 Y179 L180 T182 T323	T158-D281 WeakPolarHBondContact CA-OD2 3.43Å; T158-D281 WeakPolarHBondContact CB-OD2 3.37Å; T158-D281 VanDerWaalsContact CG2-OD2 3.25Å; T158-D281 WeakPolarHBondContact CG2-OD2 3.43Å; T158-D281 PolarHBondContact OG1-OD2 3.29Å; Y179-D281 HydrophobicContact CE1-CB 3.95Å; Y179-D281 VanDerWaalsContact OH-CB 3.27Å; Y179-D281 WeakPolarHBondContact OH-CB 3.37Å; Y179-D281 PolarHBondContact OH-OD2 3.17Å; L180-D281 PolarHBondContact O-N 3.11Å; T182-D281 PolarHBondContact N-O 3.43Å; T182-D281 PolarHBondContact OG1-O 3.25Å; D281-T323 WeakPolarHBondContact CA-OG1 3.31Å; D281-T323 HydrophobicContact CB-CG2 4.12Å; D281-T323 WeakPolarHBondContact OD1-CB 3.47Å; D281-T323 WeakPolarHBondContact OD1-CG2 3.43Å; D281-T323 PolarHBondContact OD1-OG1 2.99Å
282	S	92	Very high	89.6	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	cis	-114.8	140.5	-5.4	170	0	0	0	0	112.2	T182 T284 I285 T323 H325	T182-S282 WeakPolarHBondContact CB-O 3.45Å; T182-S282 WeakPolarHBondContact CG2-O 3.06Å; T182-S282 PolarHBondContact OG1-N 2.86Å; T182-S282 PolarHBondContact OG1-O 3.38Å; S282-T284 PolarHBondContact O-N 3.31Å; S282-T284 VanDerWaalsContact O-N 3.12Å; S282-T284 PolarHBondContact OG-N 3.49Å; S282-T284 PolarHBondContact OG-OG1 2.84Å; S282-I285 PolarHBondContact O-N 3.02Å; S282-T323 WeakPolarHBondContact CA-O 3.48Å; S282-T323 WeakPolarHBondContact CA-OG1 3.45Å; S282-T323 WeakPolarHBondContact CB-O 3.42Å; S282-T323 WeakPolarHBondContact CB-OG1 3.37Å; S282-T323 PolarHBondContact OG-O 2.99Å; S282-H325 PolarHBondContact OG-CD2 2.98Å
283	L	92.7	Very high	88.9	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.1	175.6	-178.8	65.4	0	0	0	113.4	L243 I280 F287 L302 I305 V322 T323 L344 W348	L243-L283 HydrophobicContact CD2-CD1 3.63Å; I280-L283 HydrophobicContact CG2-CB 4.1Å; I280-L283 HydrophobicContact CG2-CD1 4.43Å; L283-F287 HydrophobicContact CD1-CE2 3.88Å; L283-F287 HydrophobicContact CG-CE2 4.19Å; L283-F287 WeakPolarHBondContact O-CD2 3.34Å; L283-F287 WeakPolarHBondContact O-CE2 3.41Å; L283-L302 HydrophobicContact CD2-CD1 4.46Å; L283-I305 HydrophobicContact CD1-CG2 3.83Å; L283-V322 HydrophobicContact CB-CG1 3.29Å; L283-V322 HydrophobicContact CD2-CG1 3.69Å; L283-V322 HydrophobicContact CG-CG1 4.1Å; L283-T323 PolarHBondContact N-O 3.2Å; L283-L344 HydrophobicContact CB-CD1 4.39Å; L283-L344 HydrophobicContact CD2-CD1 3.64Å; L283-L344 HydrophobicContact CG-CD1 3.95Å; L283-W348 HydrophobicContact CD2-CD2 4.06Å; L283-W348 HydrophobicContact CD2-CE3 3.77Å; L283-W348 HydrophobicContact CD2-CH2 3.21Å; L283-W348 HydrophobicContact CD2-CZ2 3.51Å; L283-W348 HydrophobicContact CD2-CZ3 3.34Å
284	T	90.8	Very high	88.6	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.012	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-31.8	-177.4	-34.4	0	0	0	0	113.3	S282 F287 L288 N324 H325 C343 L344	S282-T284 PolarHBondContact O-N 3.31Å; S282-T284 VanDerWaalsContact O-N 3.12Å; S282-T284 PolarHBondContact OG-N 3.49Å; S282-T284 PolarHBondContact OG-OG1 2.84Å; T284-F287 PolarHBondContact O-N 2.99Å; T284-F287 VanDerWaalsContact O-N 3.07Å; T284-L288 HydrophobicContact CG2-CD1 4.16Å; T284-L288 HydrophobicContact CG2-CG 4.25Å; T284-L288 PolarHBondContact O-N 3.04Å; T284-N324 WeakPolarHBondContact OG1-CA 3.46Å; T284-N324 PolarHBondContact OG1-OD1 3.22Å; T284-H325 HydrophobicContact CG2-CB 4.29Å; T284-H325 PolarHBondContact OG1-N 3.45Å; T284-C343 HydrophobicContact CG2-CB 3.56Å; T284-L344 HydrophobicContact CG2-CD2 4.44Å
285	I	89.7	Confident	88.1	Confident	49 Å²	49	33.8 Å²	33.8	25%	0.251	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-59.5	-47.6	-168.7	-62.7	-72.8	0	0	0	112.8	T182 K183 S282 F287 L288	T182-I285 WeakPolarHBondContact OG1-CB 3.35Å; K183-I285 HydrophobicContact CD-CD1 4.29Å; K183-I285 HydrophobicContact CD-CG1 4.26Å; K183-I285 HydrophobicContact CG-CD1 4.16Å; K183-I285 HydrophobicContact CG-CG1 3.86Å; S282-I285 PolarHBondContact O-N 3.02Å; I285-F287 PolarHBondContact O-N 2.7Å; I285-L288 HydrophobicContact CD1-CD1 3.74Å; I285-L288 PolarHBondContact O-N 3.25Å
286	P	88.6	Confident	87.7	Confident	9 Å²	9	40.8 Å²	40.8	6%	0.058	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-55.6	-23.7	176.2	-32.1	40	0	0	0	115.7	T182 F240 L243	T182-P286 HydrophobicContact CG2-CG 4.05Å; F240-P286 HydrophobicContact CB-CB 4.36Å; L243-P286 HydrophobicContact CD2-CG 4.2Å
287	F	88.4	Confident	87.4	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-105.8	-8.4	-174.1	-53.1	-77.3	0	0	0	113.8	F240 L283 T284 I285 T289 C290 M291 Q301 L302 I305 L344	F240-F287 AromaticContact CD2-CE1 3.85Å; F240-F287 HydrophobicContact CD2-CE1 3.85Å; F240-F287 HydrophobicContact CD2-CZ 4.21Å; F240-F287 HydrophobicContact CE2-CE1 4.46Å; L283-F287 HydrophobicContact CD1-CE2 3.88Å; L283-F287 HydrophobicContact CG-CE2 4.19Å; L283-F287 WeakPolarHBondContact O-CD2 3.34Å; L283-F287 WeakPolarHBondContact O-CE2 3.41Å; T284-F287 PolarHBondContact O-N 2.99Å; T284-F287 VanDerWaalsContact O-N 3.07Å; I285-F287 PolarHBondContact O-N 2.7Å; F287-T289 VanDerWaalsContact C-N 3.28Å; F287-T289 PolarHBondContact O-N 3.36Å; F287-C290 PolarHBondContact O-N 2.72Å; F287-C290 VanDerWaalsContact O-N 3.09Å; F287-M291 HydrophobicContact CB-CG 4.11Å; F287-M291 WeakPolarHBondContact O-CB 3.42Å; F287-M291 WeakPolarHBondContact O-CG 3.2Å; F287-M291 PolarHBondContact O-N 3.24Å; F287-Q301 HydrophobicContact CD1-CB 4.27Å; F287-Q301 HydrophobicContact CE1-CB 3.76Å; F287-L302 HydrophobicContact CE1-CB 4.22Å; F287-L302 HydrophobicContact CE2-CD1 3.93Å; F287-L302 HydrophobicContact CZ-CB 4.35Å; F287-L302 HydrophobicContact CZ-CD1 3.96Å; F287-I305 HydrophobicContact CZ-CG1 3.92Å; F287-L344 HydrophobicContact CD2-CD2 4.08Å
288	L	82.6	Confident	86.9	Confident	86 Å²	86	43 Å²	43	45%	0.45	25%	0.25	S	C	.	.	H	α-helix	trans	-60.9	-36.6	-172.3	-104.1	148.8	0	0	0	112.8	T284 I285	T284-L288 HydrophobicContact CG2-CD1 4.16Å; T284-L288 HydrophobicContact CG2-CG 4.25Å; T284-L288 PolarHBondContact O-N 3.04Å; I285-L288 HydrophobicContact CD1-CD1 3.74Å; I285-L288 PolarHBondContact O-N 3.25Å
289	T	76.2	Confident	86.4	Confident	106 Å²	106	45.9 Å²	45.9	65%	0.65	27%	0.265	S	S	*	.	H	α-helix	trans	-68.7	-38	175.6	52	0	0	0	0	112.4	F287	F287-T289 VanDerWaalsContact C-N 3.28Å; F287-T289 PolarHBondContact O-N 3.36Å
290	C	77	Confident	86.1	Confident	22 Å²	22	48.9 Å²	48.9	15%	0.149	29%	0.286	C	S	.	.	H	α-helix	trans	-81.2	-28.6	-179	-60.9	0	0	0	0	112.8	F287 S292 A293 L294 A298	F287-C290 PolarHBondContact O-N 2.72Å; F287-C290 VanDerWaalsContact O-N 3.09Å; C290-S292 VanDerWaalsContact C-N 3.29Å; C290-S292 PolarHBondContact O-N 3.23Å; C290-A293 PolarHBondContact O-N 2.92Å; C290-L294 CarbonylContact O-C 3.04Å; C290-L294 WeakPolarHBondContact O-CA 3.4Å; C290-L294 PolarHBondContact O-N 3.11Å; C290-L294 VanDerWaalsContact O-O 3.07Å; C290-A298 HydrophobicContact CB-CB 3.84Å
291	M	75.2	Confident	85.9	Confident	60 Å²	60	50.3 Å²	50.3	30%	0.296	29%	0.292	S	S	.	.	H	α-helix	trans	-63.2	-31.1	-175.8	-80.5	-98.6	147.5	0	0	113.4	F287 A298	F287-M291 HydrophobicContact CB-CG 4.11Å; F287-M291 WeakPolarHBondContact O-CB 3.42Å; F287-M291 WeakPolarHBondContact O-CG 3.2Å; F287-M291 PolarHBondContact O-N 3.24Å; M291-A298 HydrophobicContact CE-CB 3.69Å; M291-A298 HydrophobicContact CG-CB 4.08Å
292	S	74	Confident	85.7	Confident	103 Å²	103	50.3 Å²	50.3	72%	0.72	29%	0.292	S	S	*	.	H	α-helix	trans	-86.5	-44.6	176.8	54.3	0	0	0	0	112.7	C290	C290-S292 VanDerWaalsContact C-N 3.29Å; C290-S292 PolarHBondContact O-N 3.23Å
293	A	78.3	Confident	85.7	Confident	71 Å²	71	52.8 Å²	52.8	59%	0.587	31%	0.313	S	S	*	.	H	α-helix	trans	-88.7	-40.4	-170.5	0	0	0	0	0	113.9	C290	C290-A293 PolarHBondContact O-N 2.92Å
294	L	84.7	Confident	85.8	Confident	101 Å²	101	57.6 Å²	57.6	53%	0.529	34%	0.338	S	S	.	.			trans	-138.2	75.7	-176.7	-69.9	100.9	0	0	0	110.4	C290 Q296 L297 A298	C290-L294 CarbonylContact O-C 3.04Å; C290-L294 WeakPolarHBondContact O-CA 3.4Å; C290-L294 PolarHBondContact O-N 3.11Å; C290-L294 VanDerWaalsContact O-O 3.07Å; L294-Q296 PolarHBondContact O-N 3.47Å; L294-Q296 VanDerWaalsContact O-N 3.14Å; L294-L297 HydrophobicContact CB-CB 3.9Å; L294-L297 WeakPolarHBondContact O-CB 3.29Å; L294-L297 PolarHBondContact O-N 3.03Å; L294-A298 PolarHBondContact O-N 3.05Å; L294-A298 VanDerWaalsContact O-N 3.16Å
295	P	82.9	Confident	86	Confident	73 Å²	73	57.5 Å²	57.5	47%	0.474	34%	0.338	S	S	.	.	H	α-helix	trans	-58.7	-33.5	-175.4	22.7	-33.6	0	0	0	112.5	L297 A298 I299	P295-L297 PolarHBondContact O-N 2.94Å; P295-A298 PolarHBondContact O-N 3.32Å; P295-I299 WeakPolarHBondContact O-CD1 3.44Å; P295-I299 VanDerWaalsContact O-CG1 3.24Å; P295-I299 WeakPolarHBondContact O-CG1 3.38Å; P295-I299 PolarHBondContact O-N 3.24Å
296	Q	87.2	Confident	86.2	Confident	148 Å²	148	55.9 Å²	55.9	69%	0.692	33%	0.329	S	S	*	.	H	α-helix	trans	-67.6	-35.8	179.3	-155.4	70.3	-4.4	0	0	112.9	L294 I299 S300	L294-Q296 PolarHBondContact O-N 3.47Å; L294-Q296 VanDerWaalsContact O-N 3.14Å; Q296-I299 PolarHBondContact O-N 2.72Å; Q296-S300 PolarHBondContact O-N 3.22Å; Q296-S300 PolarHBondContact O-OG 2.93Å
297	L	88.7	Confident	86.5	Confident	70 Å²	70	58.7 Å²	58.7	37%	0.366	35%	0.349	S	S	.	.	H	α-helix	trans	-68	-43.6	174.3	179.2	65.5	0	0	0	110.5	L294 P295 I299 S300 Q301	L294-L297 HydrophobicContact CB-CB 3.9Å; L294-L297 WeakPolarHBondContact O-CB 3.29Å; L294-L297 PolarHBondContact O-N 3.03Å; P295-L297 PolarHBondContact O-N 2.94Å; L297-I299 VanDerWaalsContact C-N 3.28Å; L297-I299 PolarHBondContact O-N 3.34Å; L297-S300 PolarHBondContact O-N 2.72Å; L297-S300 PolarHBondContact O-OG 3.38Å; L297-Q301 HydrophobicContact CD1-CG 4.19Å; L297-Q301 HydrophobicContact CG-CG 4.36Å; L297-Q301 WeakPolarHBondContact O-CB 3.48Å; L297-Q301 VanDerWaalsContact O-CG 3.29Å; L297-Q301 WeakPolarHBondContact O-CG 3.45Å; L297-Q301 PolarHBondContact O-N 3.01Å
298	A	86.9	Confident	86.8	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-61.6	-39.4	177.1	0	0	0	0	0	111.3	C290 M291 L294 P295 L302	C290-A298 HydrophobicContact CB-CB 3.84Å; M291-A298 HydrophobicContact CE-CB 3.69Å; M291-A298 HydrophobicContact CG-CB 4.08Å; L294-A298 PolarHBondContact O-N 3.05Å; L294-A298 VanDerWaalsContact O-N 3.16Å; P295-A298 PolarHBondContact O-N 3.32Å; A298-L302 WeakPolarHBondContact O-CB 3.36Å; A298-L302 PolarHBondContact O-N 3.4Å
299	I	88.5	Confident	87.5	Confident	62 Å²	62	56 Å²	56	32%	0.318	33%	0.334	S	S	.	.	H	α-helix	trans	-62.8	-46.2	175.4	-72.1	163.7	0	0	0	111.5	P295 Q296 L297 L302 A303 N347	P295-I299 WeakPolarHBondContact O-CD1 3.44Å; P295-I299 VanDerWaalsContact O-CG1 3.24Å; P295-I299 WeakPolarHBondContact O-CG1 3.38Å; P295-I299 PolarHBondContact O-N 3.24Å; Q296-I299 PolarHBondContact O-N 2.72Å; L297-I299 VanDerWaalsContact C-N 3.28Å; L297-I299 PolarHBondContact O-N 3.34Å; I299-L302 PolarHBondContact O-N 2.75Å; I299-A303 WeakPolarHBondContact O-CB 3.26Å; I299-A303 PolarHBondContact O-N 3.38Å; I299-N347 VanDerWaalsContact CG2-ND2 3.32Å; I299-N347 WeakPolarHBondContact CG2-ND2 3.33Å
300	S	90.3	Very high	88.3	Confident	62 Å²	62	55 Å²	55	43%	0.434	32%	0.322	S	S	.	.	H	α-helix	trans	-68.1	-41.5	-179.1	65.4	0	0	0	0	112.2	Q296 L297 A303 L304	Q296-S300 PolarHBondContact O-N 3.22Å; Q296-S300 PolarHBondContact O-OG 2.93Å; L297-S300 PolarHBondContact O-N 2.72Å; L297-S300 PolarHBondContact O-OG 3.38Å; S300-A303 WeakPolarHBondContact O-CB 3.33Å; S300-A303 PolarHBondContact O-N 3.37Å; S300-L304 PolarHBondContact O-N 3.5Å
301	Q	92.8	Very high	89.1	Confident	31 Å²	31	56.1 Å²	56.1	15%	0.145	32%	0.323	C	S	.	.	H	α-helix	trans	-64	-42.9	174.8	-71.4	177.5	-16.6	0	0	111.7	F240 F287 L297 A303 L304 I305	F240-Q301 HydrophobicContact CD1-CG 4.16Å; F240-Q301 HydrophobicContact CD2-CB 3.81Å; F240-Q301 HydrophobicContact CD2-CG 4.25Å; F240-Q301 HydrophobicContact CE1-CB 4.43Å; F240-Q301 HydrophobicContact CE1-CG 3.98Å; F240-Q301 HydrophobicContact CE2-CB 3.58Å; F240-Q301 HydrophobicContact CE2-CG 4.05Å; F240-Q301 WeakPolarHBondContact CE2-O 3.46Å; F240-Q301 HydrophobicContact CG-CB 4.32Å; F240-Q301 HydrophobicContact CG-CG 4.29Å; F240-Q301 HydrophobicContact CZ-CB 3.93Å; F240-Q301 HydrophobicContact CZ-CG 3.93Å; F287-Q301 HydrophobicContact CD1-CB 4.27Å; F287-Q301 HydrophobicContact CE1-CB 3.76Å; L297-Q301 HydrophobicContact CD1-CG 4.19Å; L297-Q301 HydrophobicContact CG-CG 4.36Å; L297-Q301 WeakPolarHBondContact O-CB 3.48Å; L297-Q301 VanDerWaalsContact O-CG 3.29Å; L297-Q301 WeakPolarHBondContact O-CG 3.45Å; L297-Q301 PolarHBondContact O-N 3.01Å; Q301-A303 VanDerWaalsContact C-N 3.29Å; Q301-A303 PolarHBondContact O-N 2.96Å; Q301-L304 WeakPolarHBondContact O-CB 3.19Å; Q301-L304 PolarHBondContact O-N 3Å; Q301-I305 PolarHBondContact O-N 2.88Å
302	L	92.9	Very high	90.1	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-38.5	176.1	-175.7	62.8	0	0	0	111.2	L283 F287 A298 I299 L304 I305 I306 L344 W348	L283-L302 HydrophobicContact CD2-CD1 4.46Å; F287-L302 HydrophobicContact CE1-CB 4.22Å; F287-L302 HydrophobicContact CE2-CD1 3.93Å; F287-L302 HydrophobicContact CZ-CB 4.35Å; F287-L302 HydrophobicContact CZ-CD1 3.96Å; A298-L302 WeakPolarHBondContact O-CB 3.36Å; A298-L302 PolarHBondContact O-N 3.4Å; I299-L302 PolarHBondContact O-N 2.75Å; L302-L304 VanDerWaalsContact C-N 3.3Å; L302-L304 PolarHBondContact O-N 3.25Å; L302-I305 PolarHBondContact O-N 3.47Å; L302-I306 HydrophobicContact CD1-CD1 4.42Å; L302-I306 HydrophobicContact CD2-CD1 4.42Å; L302-I306 HydrophobicContact CG-CD1 3.77Å; L302-I306 HydrophobicContact CG-CG1 4.33Å; L302-I306 WeakPolarHBondContact O-CB 3.47Å; L302-I306 WeakPolarHBondContact O-CD1 3.27Å; L302-I306 WeakPolarHBondContact O-CG1 3.38Å; L302-I306 PolarHBondContact O-N 2.97Å; L302-L344 HydrophobicContact CD1-CD2 4.05Å; L302-L344 HydrophobicContact CD2-CB 4.21Å; L302-L344 HydrophobicContact CD2-CD2 4.19Å; L302-W348 HydrophobicContact CD1-CE3 3.98Å; L302-W348 HydrophobicContact CD2-CB 4.24Å
303	A	92.3	Very high	91	Very high	52 Å²	52	48.5 Å²	48.5	43%	0.43	28%	0.276	S	S	.	.	H	α-helix	trans	-60.8	-37.2	175.7	0	0	0	0	0	112.8	I299 S300 Q301 S307	I299-A303 WeakPolarHBondContact O-CB 3.26Å; I299-A303 PolarHBondContact O-N 3.38Å; S300-A303 WeakPolarHBondContact O-CB 3.33Å; S300-A303 PolarHBondContact O-N 3.37Å; Q301-A303 VanDerWaalsContact C-N 3.29Å; Q301-A303 PolarHBondContact O-N 2.96Å; A303-S307 PolarHBondContact O-N 3.05Å
304	L	94.3	Very high	91.6	Very high	101 Å²	101	48.8 Å²	48.8	53%	0.529	27%	0.27	S	S	.	.	H	α-helix	trans	-65.2	-46.2	174.3	-66.5	172.8	0	0	0	111.7	F240 S300 Q301 L302 I306 S307 E308	F240-L304 HydrophobicContact CZ-CD1 4.15Å; S300-L304 PolarHBondContact O-N 3.5Å; Q301-L304 WeakPolarHBondContact O-CB 3.19Å; Q301-L304 PolarHBondContact O-N 3Å; L302-L304 VanDerWaalsContact C-N 3.3Å; L302-L304 PolarHBondContact O-N 3.25Å; L304-I306 PolarHBondContact O-N 3.38Å; L304-S307 PolarHBondContact O-N 3.07Å; L304-E308 PolarHBondContact O-N 3.24Å; L304-E308 VanDerWaalsContact O-N 3.11Å
305	I	95.3	Very high	91.8	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.5	-44.7	176.5	-64.9	-63.8	0	0	0	111	F240 L243 I244 L247 L283 F287 Q301 L302 S307 E308 L309	F240-I305 HydrophobicContact CD2-CD1 4.37Å; F240-I305 HydrophobicContact CD2-CG1 4.16Å; F240-I305 HydrophobicContact CE2-CD1 4.08Å; F240-I305 HydrophobicContact CE2-CG1 3.85Å; L243-I305 HydrophobicContact CB-CD1 4.48Å; L243-I305 HydrophobicContact CD2-CD1 3.88Å; L243-I305 HydrophobicContact CD2-CG1 4.22Å; L243-I305 HydrophobicContact CD2-CG2 4.37Å; L243-I305 HydrophobicContact CG-CD1 3.87Å; I244-I305 HydrophobicContact CB-CD1 3.83Å; I244-I305 HydrophobicContact CD1-CD1 3.72Å; I244-I305 HydrophobicContact CG1-CD1 4.35Å; L247-I305 HydrophobicContact CD1-CD1 3.8Å; L247-I305 HydrophobicContact CD1-CG2 3.97Å; L283-I305 HydrophobicContact CD1-CG2 3.83Å; F287-I305 HydrophobicContact CZ-CG1 3.92Å; Q301-I305 PolarHBondContact O-N 2.88Å; L302-I305 PolarHBondContact O-N 3.47Å; I305-S307 VanDerWaalsContact C-N 3.3Å; I305-S307 PolarHBondContact O-N 3.02Å; I305-E308 PolarHBondContact O-N 3.06Å; I305-L309 HydrophobicContact CG2-CD1 3.69Å; I305-L309 HydrophobicContact CG2-CG 3.97Å; I305-L309 WeakPolarHBondContact O-CB 3.39Å; I305-L309 VanDerWaalsContact O-CG 3.28Å; I305-L309 WeakPolarHBondContact O-CG 3.48Å; I305-L309 PolarHBondContact O-N 3.27Å
306	I	93.9	Very high	92.1	Very high	15 Å²	15	45.6 Å²	45.6	8%	0.077	25%	0.249	C	C	.	.	H	α-helix	trans	-53.4	-50.2	176.1	-75.2	162.6	0	0	0	110.7	L302 L304 E308 L309 Q310 W348 I351	L302-I306 HydrophobicContact CD1-CD1 4.42Å; L302-I306 HydrophobicContact CD2-CD1 4.42Å; L302-I306 HydrophobicContact CG-CD1 3.77Å; L302-I306 HydrophobicContact CG-CG1 4.33Å; L302-I306 WeakPolarHBondContact O-CB 3.47Å; L302-I306 WeakPolarHBondContact O-CD1 3.27Å; L302-I306 WeakPolarHBondContact O-CG1 3.38Å; L302-I306 PolarHBondContact O-N 2.97Å; L304-I306 PolarHBondContact O-N 3.38Å; I306-E308 VanDerWaalsContact C-N 3.33Å; I306-E308 PolarHBondContact O-N 3.3Å; I306-L309 PolarHBondContact O-N 3.35Å; I306-Q310 HydrophobicContact CG2-CG 4.5Å; I306-Q310 WeakPolarHBondContact O-CB 3.41Å; I306-Q310 WeakPolarHBondContact O-CG 3.45Å; I306-Q310 PolarHBondContact O-N 3.04Å; I306-W348 HydrophobicContact CD1-CE3 4.01Å; I306-W348 HydrophobicContact CG1-CE3 3.55Å; I306-W348 HydrophobicContact CG1-CZ3 3.66Å; I306-I351 HydrophobicContact CB-CD1 4.13Å; I306-I351 HydrophobicContact CD1-CD1 3.38Å; I306-I351 HydrophobicContact CG1-CD1 3.69Å; I306-I351 HydrophobicContact CG2-CD1 3.33Å; I306-I351 HydrophobicContact CG2-CG1 3.78Å; I306-I351 HydrophobicContact CG2-CG2 4.25Å
307	S	93.9	Very high	92.4	Very high	68 Å²	68	41.2 Å²	41.2	48%	0.476	23%	0.229	S	C	.	.	H	α-helix	trans	-60.4	-44.2	-178.1	-175.9	0	0	0	0	111.3	A303 L304 I305 R311	A303-S307 PolarHBondContact O-N 3.05Å; L304-S307 PolarHBondContact O-N 3.07Å; I305-S307 VanDerWaalsContact C-N 3.3Å; I305-S307 PolarHBondContact O-N 3.02Å; S307-R311 VanDerWaalsContact O-CB 3.3Å; S307-R311 WeakPolarHBondContact O-CB 3.47Å; S307-R311 PolarHBondContact O-N 3.4Å
308	E	95.4	Very high	92.7	Very high	29 Å²	29	37.9 Å²	37.9	14%	0.136	21%	0.211	C	C	.	.	H	α-helix	trans	-68.7	-39.2	177.9	-70.4	-61.8	162.9	0	0	112.9	I244 R251 L304 I305 I306 R311 I312	I244-E308 HydrophobicContact CD1-CB 4.45Å; I244-E308 HydrophobicContact CD1-CG 3.86Å; R251-E308 IonicContact CZ-OE1 2.96Å; R251-E308 IonicContact CZ-OE2 3.76Å; R251-E308 VanDerWaalsContact CZ-OE2 3.28Å; R251-E308 IonicContact NE-OE2 2.71Å; R251-E308 IonicContact NH1-OE1 3.99Å; R251-E308 PolarHBondContact NH1-OE1 3.07Å; R251-E308 IonicContact NH1-OE2 2.67Å; R251-E308 PolarHBondContact NH1-OE2 2.71Å; R251-E308 IonicContact NH2-OE1 2.68Å; R251-E308 PolarHBondContact NH2-OE1 2.85Å; R251-E308 IonicContact NH2-OE2 3.29Å; R251-E308 PolarHBondContact NH2-OE2 3.05Å; L304-E308 PolarHBondContact O-N 3.24Å; L304-E308 VanDerWaalsContact O-N 3.11Å; I305-E308 PolarHBondContact O-N 3.06Å; I306-E308 VanDerWaalsContact C-N 3.33Å; I306-E308 PolarHBondContact O-N 3.3Å; E308-R311 PolarHBondContact O-N 3.23Å; E308-R311 IonicContact OE1-NE 2.85Å; E308-R311 IonicContact OE2-CZ 3.72Å; E308-R311 VanDerWaalsContact OE2-CZ 3.29Å; E308-R311 IonicContact OE2-NE 2.69Å; E308-R311 PolarHBondContact OE2-NE 3.28Å; E308-R311 IonicContact OE2-NH2 2.69Å; E308-R311 PolarHBondContact OE2-NH2 2.96Å; E308-I312 VanDerWaalsContact O-CG1 3.27Å; E308-I312 WeakPolarHBondContact O-CG1 3.47Å; E308-I312 PolarHBondContact O-N 3.42Å
309	L	96	Very high	93.1	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-45.1	176.2	-68.3	178.4	0	0	0	111.8	I146 L247 I280 I305 I306 R311 I312 S313 I320 W348	I146-L309 HydrophobicContact CD1-CB 4.02Å; L247-L309 HydrophobicContact CD1-CD2 3.78Å; L247-L309 HydrophobicContact CD1-CG 4.17Å; L247-L309 HydrophobicContact CD2-CD2 3.64Å; L247-L309 HydrophobicContact CG-CD2 4.38Å; I280-L309 HydrophobicContact CD1-CD1 4.11Å; I280-L309 HydrophobicContact CD1-CD2 3.54Å; I280-L309 HydrophobicContact CD1-CG 4.47Å; I305-L309 HydrophobicContact CG2-CD1 3.69Å; I305-L309 HydrophobicContact CG2-CG 3.97Å; I305-L309 WeakPolarHBondContact O-CB 3.39Å; I305-L309 VanDerWaalsContact O-CG 3.28Å; I305-L309 WeakPolarHBondContact O-CG 3.48Å; I305-L309 PolarHBondContact O-N 3.27Å; I306-L309 PolarHBondContact O-N 3.35Å; L309-R311 VanDerWaalsContact C-N 3.26Å; L309-R311 PolarHBondContact O-N 3.2Å; L309-I312 PolarHBondContact O-N 3.45Å; L309-S313 WeakPolarHBondContact O-CB 3.17Å; L309-S313 PolarHBondContact O-N 2.89Å; L309-I320 HydrophobicContact CB-CD1 3.99Å; L309-I320 HydrophobicContact CD2-CD1 3.95Å; L309-I320 HydrophobicContact CD2-CG2 4.22Å; L309-I320 WeakPolarHBondContact O-CD1 3.34Å; L309-W348 HydrophobicContact CD1-CH2 3.64Å; L309-W348 HydrophobicContact CD1-CZ3 3.93Å
310	Q	94.7	Very high	93.6	Very high	84 Å²	84	35.1 Å²	35.1	39%	0.393	20%	0.197	S	C	.	.	H	α-helix	trans	-61.1	-40.2	175.7	-73.8	-179.3	-43.5	0	0	111.2	I146 I306 S313 T314 I351	I146-Q310 HydrophobicContact CD1-CG 4.19Å; I306-Q310 HydrophobicContact CG2-CG 4.5Å; I306-Q310 WeakPolarHBondContact O-CB 3.41Å; I306-Q310 WeakPolarHBondContact O-CG 3.45Å; I306-Q310 PolarHBondContact O-N 3.04Å; Q310-S313 PolarHBondContact O-N 3.2Å; Q310-S313 PolarHBondContact O-OG 2.84Å; Q310-T314 WeakPolarHBondContact O-CB 3.38Å; Q310-T314 WeakPolarHBondContact O-CG2 3.18Å; Q310-T314 PolarHBondContact O-N 3.25Å; Q310-T314 PolarHBondContact O-OG1 3.17Å; Q310-I351 HydrophobicContact CG-CG2 3.83Å
311	R	93.8	Very high	93.9	Very high	46 Å²	46	32.1 Å²	32.1	17%	0.174	18%	0.176	C	C	.	.	H	α-helix	trans	-65.7	-43.2	179.2	-158.8	-177.6	58.8	57.1	25.8	111.5	R251 S307 E308 L309 L315	R251-R311 VanDerWaalsContact CG-CZ 3.43Å; R251-R311 VanDerWaalsContact CZ-CZ 3.46Å; S307-R311 VanDerWaalsContact O-CB 3.3Å; S307-R311 WeakPolarHBondContact O-CB 3.47Å; S307-R311 PolarHBondContact O-N 3.4Å; E308-R311 PolarHBondContact O-N 3.23Å; E308-R311 IonicContact OE1-NE 2.85Å; E308-R311 IonicContact OE2-CZ 3.72Å; E308-R311 VanDerWaalsContact OE2-CZ 3.29Å; E308-R311 IonicContact OE2-NE 2.69Å; E308-R311 PolarHBondContact OE2-NE 3.28Å; E308-R311 IonicContact OE2-NH2 2.69Å; E308-R311 PolarHBondContact OE2-NH2 2.96Å; L309-R311 VanDerWaalsContact C-N 3.26Å; L309-R311 PolarHBondContact O-N 3.2Å; R311-L315 HydrophobicContact CG-CD1 3.46Å; R311-L315 VanDerWaalsContact CG-CD1 3.46Å; R311-L315 HydrophobicContact CG-CG 4.06Å; R311-L315 VanDerWaalsContact O-CB 3.23Å; R311-L315 WeakPolarHBondContact O-CB 3.34Å; R311-L315 WeakPolarHBondContact O-CG 3.39Å; R311-L315 PolarHBondContact O-N 2.67Å
312	I	94.8	Very high	94.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.6	-41	176.3	-65.6	164.2	0	0	0	111.4	L247 R251 I278 E308 L309 N316 C318 I320	L247-I312 HydrophobicContact CB-CD1 4.15Å; L247-I312 HydrophobicContact CD2-CD1 4.07Å; R251-I312 HydrophobicContact CB-CG1 4.38Å; I278-I312 HydrophobicContact CD1-CG2 3.45Å; I278-I312 VanDerWaalsContact CD1-CG2 3.45Å; E308-I312 VanDerWaalsContact O-CG1 3.27Å; E308-I312 WeakPolarHBondContact O-CG1 3.47Å; E308-I312 PolarHBondContact O-N 3.42Å; L309-I312 PolarHBondContact O-N 3.45Å; I312-N316 WeakPolarHBondContact O-CB 3.5Å; I312-N316 PolarHBondContact O-N 2.96Å; I312-C318 HydrophobicContact CG2-CB 4.03Å; I312-I320 HydrophobicContact CB-CD1 4.47Å
313	S	94.2	Very high	94.2	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-65.7	-49.9	179.4	76.7	0	0	0	0	110.8	G144 L309 Q310 H317 C318	G144-S313 VanDerWaalsContact CA-O 3.26Å; G144-S313 WeakPolarHBondContact CA-O 3.27Å; G144-S313 PolarHBondContact O-OG 2.94Å; L309-S313 WeakPolarHBondContact O-CB 3.17Å; L309-S313 PolarHBondContact O-N 2.89Å; Q310-S313 PolarHBondContact O-N 3.2Å; Q310-S313 PolarHBondContact O-OG 2.84Å; S313-H317 VanDerWaalsContact O-CA 3.23Å; S313-H317 WeakPolarHBondContact O-CA 3.07Å; S313-H317 PolarHBondContact O-N 3.45Å; S313-C318 WeakPolarHBondContact CA-O 3.43Å; S313-C318 PolarHBondContact O-N 3.17Å
314	T	90.7	Very high	94.2	Very high	77 Å²	77	28.1 Å²	28.1	47%	0.472	15%	0.149	S	C	.	.	H	α-helix	trans	-77.9	-48.9	-172.8	57.2	0	0	0	0	113.7	Q310	Q310-T314 WeakPolarHBondContact O-CB 3.38Å; Q310-T314 WeakPolarHBondContact O-CG2 3.18Å; Q310-T314 PolarHBondContact O-N 3.25Å; Q310-T314 PolarHBondContact O-OG1 3.17Å
315	L	89.3	Confident	94.1	Very high	106 Å²	106	24.9 Å²	24.9	56%	0.555	13%	0.131	S	C	*	.	H	α-helix	trans	-78.9	-38.9	-175.3	-58.6	-174.8	0	0	0	112.2	R311	R311-L315 HydrophobicContact CG-CD1 3.46Å; R311-L315 VanDerWaalsContact CG-CD1 3.46Å; R311-L315 HydrophobicContact CG-CG 4.06Å; R311-L315 VanDerWaalsContact O-CB 3.23Å; R311-L315 WeakPolarHBondContact O-CB 3.34Å; R311-L315 WeakPolarHBondContact O-CG 3.39Å; R311-L315 PolarHBondContact O-N 2.67Å
316	N	89.3	Confident	93.8	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	1.6	-176.2	-56.7	98.4	0	0	0	113.1	I254 D255 K276 I312 C318	I254-N316 HydrophobicContact CD1-CB 4.44Å; I254-N316 HydrophobicContact CG2-CB 3.89Å; I254-N316 VanDerWaalsContact CG2-ND2 3.34Å; I254-N316 WeakPolarHBondContact CG2-ND2 3.2Å; D255-N316 PolarHBondContact OD1-ND2 2.85Å; K276-N316 PolarHBondContact NZ-O 3.09Å; K276-N316 VanDerWaalsContact NZ-O 3.14Å; I312-N316 WeakPolarHBondContact O-CB 3.5Å; I312-N316 PolarHBondContact O-N 2.96Å; N316-C318 VanDerWaalsContact C-N 3.32Å; N316-C318 PolarHBondContact O-N 3.43Å
317	H	92.3	Very high	93.3	Very high	57 Å²	57	29.5 Å²	29.5	26%	0.264	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	51.1	-176.5	-60.8	-72.7	0	0	0	112.2	S122 T143 K276 S313	S122-H317 PolarHBondContact OG-CD2 3.11Å; S122-H317 VanDerWaalsContact OG-CD2 3.22Å; S122-H317 PolarHBondContact OG-CE1 2.89Å; S122-H317 PolarHBondContact OG-ND1 3.21Å; S122-H317 PolarHBondContact OG-NE2 2.68Å; S122-H317 VanDerWaalsContact OG-NE2 3.08Å; T143-H317 VanDerWaalsContact CB-O 3.3Å; T143-H317 WeakPolarHBondContact CB-O 3.44Å; T143-H317 WeakPolarHBondContact CG2-O 3.45Å; K276-H317 WeakPolarHBondContact CD-O 3.44Å; S313-H317 VanDerWaalsContact O-CA 3.23Å; S313-H317 WeakPolarHBondContact O-CA 3.07Å; S313-H317 PolarHBondContact O-N 3.45Å
318	C	95.1	Very high	92.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.			trans	-100.1	140.7	174.6	-68.4	0	0	0	0	110.1	G144 C275 K276 I278 I312 S313 N316	G144-C318 PolarHBondContact N-O 3.17Å; C275-C318 PolarHBondContact O-SG 2.79Å; K276-C318 CarbonylContact O-C 3.39Å; K276-C318 WeakPolarHBondContact O-CA 3.46Å; I278-C318 HydrophobicContact CD1-CB 4.34Å; I312-C318 HydrophobicContact CG2-CB 4.03Å; S313-C318 WeakPolarHBondContact CA-O 3.43Å; S313-C318 PolarHBondContact O-N 3.17Å; N316-C318 VanDerWaalsContact C-N 3.32Å; N316-C318 PolarHBondContact O-N 3.43Å
319	A	96.5	Very high	91.6	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.008	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	134.4	164.7	0	0	0	0	0	108	F126 R142 T143 K276 L277 I278	F126-A319 HydrophobicContact CD2-CB 3.81Å; F126-A319 HydrophobicContact CE2-CB 3.86Å; R142-A319 WeakPolarHBondContact O-CB 3.29Å; T143-A319 HydrophobicContact CG2-CB 4.3Å; K276-A319 PolarHBondContact O-N 3.47Å; L277-A319 WeakPolarHBondContact CA-O 3.49Å; L277-A319 HydrophobicContact CD1-CB 3.96Å; I278-A319 PolarHBondContact N-O 2.77Å
320	I	97.3	Very high	90.2	Very high	2 Å²	2	40 Å²	40	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.9	178.9	-54.7	-174.9	0	0	0	108.9	E145 I146 T147 I278 L309 I312 V322	E145-I320 PolarHBondContact O-N 2.99Å; I146-I320 WeakPolarHBondContact CA-O 3.32Å; I146-I320 HydrophobicContact CG1-CB 4.15Å; I146-I320 HydrophobicContact CG1-CD1 4.32Å; I146-I320 HydrophobicContact CG2-CB 4.44Å; I146-I320 HydrophobicContact CG2-CG2 4.38Å; T147-I320 PolarHBondContact N-O 3.14Å; I278-I320 CarbonylContact O-C 3.59Å; I278-I320 WeakPolarHBondContact O-CA 3.42Å; L309-I320 HydrophobicContact CB-CD1 3.99Å; L309-I320 HydrophobicContact CD2-CD1 3.95Å; L309-I320 HydrophobicContact CD2-CG2 4.22Å; L309-I320 WeakPolarHBondContact O-CD1 3.34Å; I312-I320 HydrophobicContact CB-CD1 4.47Å; I320-V322 HydrophobicContact CG2-CG2 3.77Å
321	L	97.4	Very high	88.5	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.5	173.6	178.7	66.2	0	0	0	109.3	L141 T147 I149 F160 V164 I278 I279 I280	L141-L321 HydrophobicContact CD1-CB 4.44Å; L141-L321 HydrophobicContact CD1-CD1 4.42Å; L141-L321 HydrophobicContact CD1-CD2 4.23Å; L141-L321 HydrophobicContact CD2-CD1 4.39Å; T147-L321 HydrophobicContact CG2-CD1 4.04Å; T147-L321 CarbonylContact O-C 3.53Å; T147-L321 WeakPolarHBondContact O-CA 3.34Å; I149-L321 HydrophobicContact CD1-CD1 4.13Å; I149-L321 HydrophobicContact CG1-CD1 3.73Å; F160-L321 HydrophobicContact CD1-CD2 4.45Å; F160-L321 HydrophobicContact CE1-CD1 4.2Å; F160-L321 HydrophobicContact CE1-CD2 4.09Å; V164-L321 HydrophobicContact CB-CD2 4.39Å; V164-L321 HydrophobicContact CG1-CD2 4.3Å; V164-L321 HydrophobicContact CG2-CD2 4.32Å; I278-L321 PolarHBondContact O-N 3.46Å; I279-L321 CarbonylContact C-O 3.51Å; I279-L321 VanDerWaalsContact CA-O 3.27Å; I279-L321 WeakPolarHBondContact CA-O 3.29Å; I279-L321 HydrophobicContact CG1-CB 4.13Å; I279-L321 HydrophobicContact CG1-CD2 4.29Å; I280-L321 PolarHBondContact N-O 3.24Å
322	V	96.3	Very high	86.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.8	-177	-178.1	0	0	0	0	110.3	I146 T147 E148 I149 I280 L283 I320 W348	I146-V322 HydrophobicContact CG2-CG2 4.21Å; T147-V322 PolarHBondContact O-N 3.18Å; E148-V322 CarbonylContact C-O 3.57Å; E148-V322 WeakPolarHBondContact CA-O 3.46Å; I149-V322 PolarHBondContact N-O 3.13Å; I280-V322 HydrophobicContact CB-CG1 4.42Å; I280-V322 HydrophobicContact CB-CG2 4.34Å; I280-V322 HydrophobicContact CD1-CG2 4.26Å; I280-V322 HydrophobicContact CG1-CG2 4.46Å; I280-V322 WeakPolarHBondContact O-CA 3.25Å; L283-V322 HydrophobicContact CB-CG1 3.29Å; L283-V322 HydrophobicContact CD2-CG1 3.69Å; L283-V322 HydrophobicContact CG-CG1 4.1Å; I320-V322 HydrophobicContact CG2-CG2 3.77Å; V322-W348 HydrophobicContact CB-CZ2 4.21Å; V322-W348 HydrophobicContact CG1-CZ2 4.07Å; V322-W348 HydrophobicContact CG2-CH2 4.26Å; V322-W348 HydrophobicContact CG2-CZ2 4.13Å
323	T	95.4	Very high	84.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	135.4	168.8	80.7	0	0	0	0	110.9	I149 K157 C161 I280 D281 S282 L283	I149-T323 CarbonylContact O-C 3.58Å; I149-T323 WeakPolarHBondContact O-CA 3.42Å; K157-T323 HydrophobicContact CB-CG2 4.16Å; C161-T323 WeakPolarHBondContact SG-CG2 3.36Å; I280-T323 PolarHBondContact O-N 3.44Å; D281-T323 WeakPolarHBondContact CA-OG1 3.31Å; D281-T323 HydrophobicContact CB-CG2 4.12Å; D281-T323 WeakPolarHBondContact OD1-CB 3.47Å; D281-T323 WeakPolarHBondContact OD1-CG2 3.43Å; D281-T323 PolarHBondContact OD1-OG1 2.99Å; S282-T323 WeakPolarHBondContact CA-O 3.48Å; S282-T323 WeakPolarHBondContact CA-OG1 3.45Å; S282-T323 WeakPolarHBondContact CB-O 3.42Å; S282-T323 WeakPolarHBondContact CB-OG1 3.37Å; S282-T323 PolarHBondContact OG-O 2.99Å; L283-T323 PolarHBondContact N-O 3.2Å
324	N	93.4	Very high	82	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	140.8	177.5	-168	7	0	0	0	109.7	E148 I149 I150 G151 T284	E148-N324 HydrophobicContact CG-CB 4.09Å; E148-N324 WeakPolarHBondContact OE1-CB 3.16Å; E148-N324 PolarHBondContact OE1-ND2 2.97Å; I149-N324 PolarHBondContact O-N 3.36Å; I150-N324 WeakPolarHBondContact CA-O 3.38Å; I150-N324 HydrophobicContact CG1-CB 4.33Å; G151-N324 PolarHBondContact N-O 2.93Å; T284-N324 WeakPolarHBondContact OG1-CA 3.46Å; T284-N324 PolarHBondContact OG1-OD1 3.22Å
325	H	91.9	Very high	79.9	Confident	33 Å²	33	54.4 Å²	54.4	15%	0.153	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	146.5	169.7	-75.8	-95.3	0	0	0	110.8	K183 S282 T284 C343	K183-H325 WeakPolarHBondContact CE-NE2 3.41Å; K183-H325 PolarHBondContact NZ-CE1 2.85Å; K183-H325 VanDerWaalsContact NZ-CE1 3.29Å; K183-H325 PolarHBondContact NZ-NE2 3.06Å; S282-H325 PolarHBondContact OG-CD2 2.98Å; T284-H325 HydrophobicContact CG2-CB 4.29Å; T284-H325 PolarHBondContact OG1-N 3.45Å; H325-C343 PolarHBondContact O-N 3.3Å; H325-C343 PolarHBondContact O-SG 3.37Å
326	A	87.6	Confident	78.4	Confident	20 Å²	20	58.1 Å²	58.1	17%	0.165	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	139	171.4	0	0	0	0	0	111	I150 G151 K152 I341	I150-A326 HydrophobicContact CG2-CB 3.94Å; G151-A326 VanDerWaalsContact C-CB 3.49Å; G151-A326 PolarHBondContact O-N 3.09Å; G151-A326 VanDerWaalsContact O-N 3.11Å; K152-A326 HydrophobicContact CG-CB 4.32Å; A326-I341 CarbonylContact C-O 3.18Å; A326-I341 WeakPolarHBondContact CA-O 3.1Å
327	K	84.4	Confident	76.8	Confident	93 Å²	93	64.7 Å²	64.7	40%	0.404	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	145.6	164.8	60.7	176.4	-178.3	-176.9	0	109.9	I341	K327-I341 WeakPolarHBondContact CG-O 3.04Å; K327-I341 PolarHBondContact N-O 3.32Å; K327-I341 PolarHBondContact O-N 3.17Å
328	S	80.7	Confident	75.3	Confident	70 Å²	70	64 Å²	64	49%	0.49	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	121.9	171	47.6	0	0	0	0	109.8
329	Q	72.9	Confident	74.2	Confident	91 Å²	91	67.8 Å²	67.8	43%	0.425	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.7	169.8	-169.6	164.3	1.6	0	0	109.8	I339 I341	Q329-I339 PolarHBondContact N-O 3.08Å; Q329-I339 PolarHBondContact O-N 3.25Å; Q329-I339 VanDerWaalsContact O-N 3.14Å; Q329-I341 HydrophobicContact CB-CD1 3.77Å; Q329-I341 HydrophobicContact CG-CD1 4.42Å
330	F	66	Low	73.3	Confident	157 Å²	157	68 Å²	68	69%	0.689	37%	0.371	S	S	*	.			trans	-87.8	107.1	170.4	-65.8	-83.2	0	0	0	108	P338	F330-P338 HydrophobicContact CD1-CB 4.13Å; F330-P338 HydrophobicContact CE1-CB 3.77Å; F330-P338 HydrophobicContact CE1-CG 4.11Å; F330-P338 HydrophobicContact CE2-CB 4.47Å; F330-P338 HydrophobicContact CZ-CB 3.95Å; F330-P338 HydrophobicContact CZ-CG 4.25Å
331	T	60.2	Low	72.6	Confident	59 Å²	59	70.5 Å²	70.5	36%	0.362	38%	0.383	S	S	.	.			trans	-79.9	122.9	168.9	49.6	0	0	0	0	108.2	H333 I339	T331-H333 PolarHBondContact O-N 3.29Å; T331-I339 HydrophobicContact CG2-CD1 4.29Å
332	S	50.6	Low	71.9	Confident	104 Å²	104	70.6 Å²	70.6	73%	0.727	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	1	-168.6	51.7	0	0	0	0	116.1
333	H	47.1	Very low	71.3	Confident	161 Å²	161	72 Å²	72	75%	0.745	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.2	-17.3	-168.1	-73.3	-61.2	0	0	0	120.3	T331	T331-H333 PolarHBondContact O-N 3.29Å
334	T	47.9	Very low	70.7	Confident	137 Å²	137	72.2 Å²	72.2	84%	0.84	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-154.1	7.6	-172.9	41.2	0	0	0	0	118.8
335	S	47.5	Very low	70.2	Confident	50 Å²	50	73.6 Å²	73.6	35%	0.35	41%	0.408	S	S	.	.			trans	-139	120.9	176.3	61.3	0	0	0	0	112.8	L337	S335-L337 PolarHBondContact O-N 3.37Å; S335-L337 VanDerWaalsContact O-N 3.13Å; S335-L337 PolarHBondContact OG-O 2.81Å
336	L	55.8	Low	69.6	Low	185 Å²	185	78.4 Å²	78.4	97%	0.969	43%	0.434	S	S	*	.	S	Bend	trans	-60.7	-14.7	172.6	-86.7	142.1	0	0	0	113.4
337	L	56.6	Low	69.4	Low	138 Å²	138	80.8 Å²	80.8	72%	0.723	44%	0.444	S	S	*	.	S	Bend	trans	-112.2	134.2	-178.4	-73.4	156.4	0	0	0	110.7	S335 I339	S335-L337 PolarHBondContact O-N 3.37Å; S335-L337 VanDerWaalsContact O-N 3.13Å; S335-L337 PolarHBondContact OG-O 2.81Å; L337-I339 PolarHBondContact O-N 3.28Å
338	P	60.2	Low	69.5	Low	42 Å²	42	76.4 Å²	76.4	27%	0.273	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-64.9	131.8	177.2	24.2	-30.9	0	0	0	110.7	F330	F330-P338 HydrophobicContact CD1-CB 4.13Å; F330-P338 HydrophobicContact CE1-CB 3.77Å; F330-P338 HydrophobicContact CE1-CG 4.11Å; F330-P338 HydrophobicContact CE2-CB 4.47Å; F330-P338 HydrophobicContact CZ-CB 3.95Å; F330-P338 HydrophobicContact CZ-CG 4.25Å
339	I	73.7	Confident	69.7	Low	80 Å²	80	73.7 Å²	73.7	41%	0.41	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	127.9	177.2	-57.8	169.9	0	0	0	108.2	Q329 T331 L337 I341	Q329-I339 PolarHBondContact N-O 3.08Å; Q329-I339 PolarHBondContact O-N 3.25Å; Q329-I339 VanDerWaalsContact O-N 3.14Å; T331-I339 HydrophobicContact CG2-CD1 4.29Å; L337-I339 PolarHBondContact O-N 3.28Å; I339-I341 HydrophobicContact CG2-CD1 4.43Å; I339-I341 HydrophobicContact CG2-CG1 4.02Å
340	S	76.4	Confident	70.2	Confident	7 Å²	7	73.5 Å²	73.5	5%	0.049	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	116.5	174.9	-59.2	0	0	0	0	110	E359	S340-E359 PolarHBondContact OG-OE1 2.98Å
341	I	82.8	Confident	71.1	Confident	54 Å²	54	67.3 Å²	67.3	28%	0.277	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	146.6	179.4	-58	169.8	0	0	0	109.1	A326 K327 Q329 I339	A326-I341 CarbonylContact C-O 3.18Å; A326-I341 WeakPolarHBondContact CA-O 3.1Å; K327-I341 WeakPolarHBondContact CG-O 3.04Å; K327-I341 PolarHBondContact N-O 3.32Å; K327-I341 PolarHBondContact O-N 3.17Å; Q329-I341 HydrophobicContact CB-CD1 3.77Å; Q329-I341 HydrophobicContact CG-CD1 4.42Å; I339-I341 HydrophobicContact CG2-CD1 4.43Å; I339-I341 HydrophobicContact CG2-CG1 4.02Å
342	G	82.2	Confident	72.3	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.01	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	143.1	175	0	0	0	0	0	113.1	L344	G342-L344 PolarHBondContact O-N 2.95Å
343	C	84.2	Confident	74.2	Confident	29 Å²	29	61.9 Å²	61.9	20%	0.196	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-33	-175.5	-74.3	0	0	0	0	114.1	T284 H325 G345	T284-C343 HydrophobicContact CG2-CB 3.56Å; H325-C343 PolarHBondContact O-N 3.3Å; H325-C343 PolarHBondContact O-SG 3.37Å; C343-G345 PolarHBondContact O-N 2.93Å; C343-G345 VanDerWaalsContact O-N 3.11Å
344	L	82.7	Confident	76.3	Confident	6 Å²	6	56 Å²	56	3%	0.031	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-4.6	-172.4	-64.1	170.8	0	0	0	115.8	L283 T284 F287 L302 G342 W348	L283-L344 HydrophobicContact CB-CD1 4.39Å; L283-L344 HydrophobicContact CD2-CD1 3.64Å; L283-L344 HydrophobicContact CG-CD1 3.95Å; T284-L344 HydrophobicContact CG2-CD2 4.44Å; F287-L344 HydrophobicContact CD2-CD2 4.08Å; L302-L344 HydrophobicContact CD1-CD2 4.05Å; L302-L344 HydrophobicContact CD2-CB 4.21Å; L302-L344 HydrophobicContact CD2-CD2 4.19Å; G342-L344 PolarHBondContact O-N 2.95Å; L344-W348 HydrophobicContact CB-CB 3.55Å; L344-W348 HydrophobicContact CB-CG 3.76Å; L344-W348 HydrophobicContact CD1-CB 4.36Å; L344-W348 HydrophobicContact CD1-CD2 3.79Å; L344-W348 HydrophobicContact CD1-CE3 4.41Å; L344-W348 HydrophobicContact CD1-CG 3.71Å; L344-W348 HydrophobicContact CG-CG 4.4Å
345	G	82.2	Confident	78.3	Confident	28 Å²	28	50.5 Å²	50.5	29%	0.289	29%	0.285	S	S	.	.	H	α-helix	trans	74.9	-167.2	171.6	0	0	0	0	0	115.7	C343 N347 S349	C343-G345 PolarHBondContact O-N 2.93Å; C343-G345 VanDerWaalsContact O-N 3.11Å; G345-N347 PolarHBondContact O-N 3.47Å; G345-S349 PolarHBondContact O-N 3.47Å
346	I	80.4	Confident	80.4	Confident	134 Å²	134	48.1 Å²	48.1	69%	0.687	27%	0.268	S	S	*	.	H	α-helix	trans	-66.7	-37.3	-170.2	-161.1	81	0	0	0	112.4	W348 S349 S350	I346-W348 PolarHBondContact O-N 3.26Å; I346-S349 WeakPolarHBondContact CA-OG 3.34Å; I346-S349 PolarHBondContact O-N 2.94Å; I346-S349 PolarHBondContact O-OG 2.83Å; I346-S350 PolarHBondContact O-N 2.71Å
347	N	82.9	Confident	82.1	Confident	71 Å²	71	39.7 Å²	39.7	38%	0.38	22%	0.224	S	C	.	.	H	α-helix	trans	-57.9	-52.7	-177.6	-69.1	-20.6	0	0	0	109.9	I299 G345 S350 I351	I299-N347 VanDerWaalsContact CG2-ND2 3.32Å; I299-N347 WeakPolarHBondContact CG2-ND2 3.33Å; G345-N347 PolarHBondContact O-N 3.47Å; N347-S350 PolarHBondContact O-OG 3.05Å; N347-I351 WeakPolarHBondContact O-CD1 3.03Å
348	W	87.7	Confident	83.8	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.5	-43.5	175.4	-177.5	-100.6	0	0	0	113.3	I146 E148 L283 L302 I306 L309 V322 L344 I346 S350 I351	I146-W348 HydrophobicContact CG2-CH2 4.34Å; I146-W348 HydrophobicContact CG2-CZ2 4.26Å; E148-W348 PolarHBondContact OE1-NE1 3.06Å; E148-W348 PolarHBondContact OE2-NE1 3.39Å; L283-W348 HydrophobicContact CD2-CD2 4.06Å; L283-W348 HydrophobicContact CD2-CE3 3.77Å; L283-W348 HydrophobicContact CD2-CH2 3.21Å; L283-W348 HydrophobicContact CD2-CZ2 3.51Å; L283-W348 HydrophobicContact CD2-CZ3 3.34Å; L302-W348 HydrophobicContact CD1-CE3 3.98Å; L302-W348 HydrophobicContact CD2-CB 4.24Å; I306-W348 HydrophobicContact CD1-CE3 4.01Å; I306-W348 HydrophobicContact CG1-CE3 3.55Å; I306-W348 HydrophobicContact CG1-CZ3 3.66Å; L309-W348 HydrophobicContact CD1-CH2 3.64Å; L309-W348 HydrophobicContact CD1-CZ3 3.93Å; V322-W348 HydrophobicContact CB-CZ2 4.21Å; V322-W348 HydrophobicContact CG1-CZ2 4.07Å; V322-W348 HydrophobicContact CG2-CH2 4.26Å; V322-W348 HydrophobicContact CG2-CZ2 4.13Å; L344-W348 HydrophobicContact CB-CB 3.55Å; L344-W348 HydrophobicContact CB-CG 3.76Å; L344-W348 HydrophobicContact CD1-CB 4.36Å; L344-W348 HydrophobicContact CD1-CD2 3.79Å; L344-W348 HydrophobicContact CD1-CE3 4.41Å; L344-W348 HydrophobicContact CD1-CG 3.71Å; L344-W348 HydrophobicContact CG-CG 4.4Å; I346-W348 PolarHBondContact O-N 3.26Å; W348-S350 PolarHBondContact O-N 3.37Å; W348-I351 PolarHBondContact O-N 2.89Å
349	S	83.9	Confident	85.1	Confident	13 Å²	13	34 Å²	34	9%	0.091	19%	0.19	C	C	.	.	H	α-helix	trans	-56.1	-30.8	-174.5	70	0	0	0	0	113.8	G345 I346 I351 N375	G345-S349 PolarHBondContact O-N 3.47Å; I346-S349 WeakPolarHBondContact CA-OG 3.34Å; I346-S349 PolarHBondContact O-N 2.94Å; I346-S349 PolarHBondContact O-OG 2.83Å; S349-I351 VanDerWaalsContact C-N 3.31Å; S349-I351 PolarHBondContact O-N 3.01Å; S349-N375 PolarHBondContact O-ND2 3.32Å; S349-N375 PolarHBondContact O-OD1 3.16Å
350	S	82.6	Confident	85.5	Confident	88 Å²	88	34.4 Å²	34.4	62%	0.615	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-19.1	-177.7	69.4	0	0	0	0	114.3	I346 N347 W348	I346-S350 PolarHBondContact O-N 2.71Å; N347-S350 PolarHBondContact O-OG 3.05Å; W348-S350 PolarHBondContact O-N 3.37Å
351	I	85.8	Confident	85.6	Confident	26 Å²	26	34.7 Å²	34.7	13%	0.133	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-37.8	-172.9	-64.9	128.5	0	0	0	112.1	I146 I306 Q310 N347 W348 S349 N353	I146-I351 HydrophobicContact CD1-CG2 3.94Å; I306-I351 HydrophobicContact CB-CD1 4.13Å; I306-I351 HydrophobicContact CD1-CD1 3.38Å; I306-I351 HydrophobicContact CG1-CD1 3.69Å; I306-I351 HydrophobicContact CG2-CD1 3.33Å; I306-I351 HydrophobicContact CG2-CG1 3.78Å; I306-I351 HydrophobicContact CG2-CG2 4.25Å; Q310-I351 HydrophobicContact CG-CG2 3.83Å; N347-I351 WeakPolarHBondContact O-CD1 3.03Å; W348-I351 PolarHBondContact O-N 2.89Å; S349-I351 VanDerWaalsContact C-N 3.31Å; S349-I351 PolarHBondContact O-N 3.01Å; I351-N353 PolarHBondContact O-N 3.32Å
352	S	85.3	Confident	85.1	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.014	23%	0.225	C	C	.	.			trans	-62.6	125.1	-179.8	41.3	0	0	0	0	110.5	E148 R355 N375	E148-S352 PolarHBondContact OE2-OG 3.14Å; S352-R355 VanDerWaalsContact OG-CD 3.29Å; S352-R355 WeakPolarHBondContact OG-CD 3.24Å; S352-R355 WeakPolarHBondContact OG-CG 3.33Å; S352-N375 PolarHBondContact O-ND2 3.18Å
353	N	90.2	Very high	84.3	Confident	48 Å²	48	49.6 Å²	49.6	26%	0.257	26%	0.264	S	S	.	.	S	Bend	trans	-66.7	-44.1	178.9	-67.2	72.6	0	0	0	110.3	E145 I146 I351	E145-N353 HydrophobicContact CB-CB 3.96Å; E145-N353 HydrophobicContact CG-CB 4.37Å; E145-N353 WeakPolarHBondContact CG-ND2 3.15Å; E145-N353 PolarHBondContact OE1-ND2 2.79Å; I146-N353 PolarHBondContact N-OD1 3.29Å; I146-N353 PolarHBondContact O-N 3.23Å; I351-N353 PolarHBondContact O-N 3.32Å
354	Y	90.7	Very high	83.5	Confident	37 Å²	37	54.7 Å²	54.7	15%	0.145	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	137.6	178.2	-65.4	-74	0	0	0	109.9	L137 E145 I146 E148 L372	L137-Y354 HydrophobicContact CD2-CD1 3.97Å; L137-Y354 HydrophobicContact CD2-CD2 4.3Å; L137-Y354 HydrophobicContact CD2-CE1 4.48Å; L137-Y354 HydrophobicContact CD2-CG 3.85Å; E145-Y354 WeakPolarHBondContact OE2-CE2 3.38Å; I146-Y354 PolarHBondContact O-N 3.49Å; E148-Y354 PolarHBondContact N-O 3.06Å; Y354-L372 HydrophobicContact CD1-CD1 4.13Å
355	R	91.2	Very high	82.6	Confident	21 Å²	21	60.3 Å²	60.3	8%	0.079	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	117.5	176.3	-53.8	-176.6	77.1	-163.5	4.2	107.9	E148 I150 S352 I373	E148-R355 HydrophobicContact CB-CG 4.43Å; E148-R355 CarbonylContact O-C 3.54Å; E148-R355 WeakPolarHBondContact O-CA 3.46Å; E148-R355 IonicContact OE1-NE 3.28Å; E148-R355 IonicContact OE1-NH2 3.02Å; E148-R355 PolarHBondContact OE1-NH2 2.89Å; E148-R355 IonicContact OE2-CZ 3.34Å; E148-R355 IonicContact OE2-NE 3.95Å; E148-R355 PolarHBondContact OE2-NE 3.14Å; E148-R355 IonicContact OE2-NH2 2.91Å; E148-R355 PolarHBondContact OE2-NH2 3.49Å; I150-R355 HydrophobicContact CD1-CB 4.3Å; S352-R355 VanDerWaalsContact OG-CD 3.29Å; S352-R355 WeakPolarHBondContact OG-CD 3.24Å; S352-R355 WeakPolarHBondContact OG-CG 3.33Å; R355-I373 HydrophobicContact CB-CB 4.09Å; R355-I373 PolarHBondContact O-N 2.94Å
356	I	91.9	Very high	82.1	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.8	-179.2	-53.8	158.8	0	0	0	107.9	L133 L137 T147 E148 I149 I150 F358 C370 K371 L372	L133-I356 HydrophobicContact CD1-CD1 3.92Å; L137-I356 HydrophobicContact CD1-CD1 4.16Å; L137-I356 HydrophobicContact CD2-CD1 4.09Å; L137-I356 HydrophobicContact CG-CD1 4.45Å; T147-I356 HydrophobicContact CG2-CD1 4.08Å; E148-I356 PolarHBondContact O-N 3.31Å; I149-I356 CarbonylContact C-O 3.57Å; I149-I356 WeakPolarHBondContact CA-O 3.12Å; I149-I356 HydrophobicContact CD1-CB 3.9Å; I149-I356 HydrophobicContact CD1-CD1 3.58Å; I149-I356 HydrophobicContact CD1-CG1 4.25Å; I150-I356 PolarHBondContact N-O 2.84Å; I356-F358 HydrophobicContact CB-CE1 4.41Å; I356-F358 HydrophobicContact CG2-CD1 3.92Å; I356-F358 HydrophobicContact CG2-CE1 3.7Å; I356-C370 HydrophobicContact CG2-CB 3.95Å; I356-K371 CarbonylContact C-O 3.52Å; I356-K371 WeakPolarHBondContact CA-O 2.94Å; I356-L372 HydrophobicContact CG1-CD1 3.89Å
357	L	91.7	Very high	81.9	Confident	9 Å²	9	59.4 Å²	59.4	5%	0.047	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.6	174.6	177.8	69.3	0	0	0	109.8	I150 E359 C370 K371 I373	I150-L357 HydrophobicContact CB-CD1 4.16Å; I150-L357 HydrophobicContact CG2-CD1 3.89Å; I150-L357 CarbonylContact O-C 3.57Å; I150-L357 WeakPolarHBondContact O-CA 3.29Å; L357-E359 HydrophobicContact CD2-CG 4.12Å; L357-E359 HydrophobicContact CG-CG 4.02Å; L357-C370 WeakPolarHBondContact O-CA 3.45Å; L357-K371 HydrophobicContact CB-CB 4.37Å; L357-K371 PolarHBondContact N-O 3.45Å; L357-K371 PolarHBondContact O-N 3.43Å; L357-I373 HydrophobicContact CB-CD1 3.69Å; L357-I373 HydrophobicContact CB-CG1 4.17Å; L357-I373 HydrophobicContact CD2-CD1 4.28Å; L357-I373 HydrophobicContact CG-CD1 4.45Å
358	F	91.4	Very high	81.8	Confident	1 Å²	1	56.6 Å²	56.6	0%	0.004	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	123.9	174.5	-77.9	24.4	0	0	0	109.3	I149 I150 T155 K157 F160 I356 I368 L369 C370 F399 I401	I149-F358 HydrophobicContact CD1-CE1 4.17Å; I149-F358 HydrophobicContact CD1-CZ 4.42Å; I149-F358 HydrophobicContact CG2-CD1 3.7Å; I149-F358 HydrophobicContact CG2-CD2 3.95Å; I149-F358 HydrophobicContact CG2-CE1 3.62Å; I149-F358 HydrophobicContact CG2-CE2 3.89Å; I149-F358 HydrophobicContact CG2-CG 3.89Å; I149-F358 HydrophobicContact CG2-CZ 3.73Å; I150-F358 PolarHBondContact O-N 3.29Å; T155-F358 WeakPolarHBondContact O-CD2 3.49Å; K157-F358 HydrophobicContact CG-CD2 4.45Å; F160-F358 HydrophobicContact CB-CE2 3.72Å; F160-F358 HydrophobicContact CB-CZ 4.05Å; F160-F358 HydrophobicContact CD1-CE2 4.43Å; F160-F358 HydrophobicContact CD1-CZ 4.01Å; F160-F358 HydrophobicContact CD2-CE2 4.28Å; F160-F358 AromaticContact CD2-CZ 3.82Å; F160-F358 HydrophobicContact CD2-CZ 3.82Å; F160-F358 HydrophobicContact CE1-CZ 4.45Å; F160-F358 HydrophobicContact CE2-CZ 4.3Å; F160-F358 AromaticContact CG-CE2 3.89Å; F160-F358 HydrophobicContact CG-CE2 3.89Å; F160-F358 AromaticContact CG-CZ 3.66Å; F160-F358 HydrophobicContact CG-CZ 3.66Å; I356-F358 HydrophobicContact CB-CE1 4.41Å; I356-F358 HydrophobicContact CG2-CD1 3.92Å; I356-F358 HydrophobicContact CG2-CE1 3.7Å; F358-I368 HydrophobicContact CB-CG2 3.93Å; F358-I368 HydrophobicContact CD2-CG2 3.79Å; F358-I368 HydrophobicContact CE2-CG2 4.41Å; F358-I368 HydrophobicContact CG-CG2 3.86Å; F358-L369 WeakPolarHBondContact CA-O 3.4Å; F358-C370 WeakPolarHBondContact CD1-SG 3.48Å; F358-C370 HydrophobicContact CE1-CB 4.49Å; F358-C370 WeakPolarHBondContact CE1-SG 3.12Å; F358-F399 HydrophobicContact CE1-CZ 4.29Å; F358-F399 HydrophobicContact CE2-CZ 4.37Å; F358-F399 AromaticContact CZ-CZ 3.92Å; F358-F399 HydrophobicContact CZ-CZ 3.92Å; F358-I401 HydrophobicContact CE2-CD1 4.31Å
359	E	87.1	Confident	81.5	Confident	60 Å²	60	58 Å²	58	28%	0.28	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.8	173.1	-61.8	-166.9	144.8	0	0	110.1	S340 L357 L369	S340-E359 PolarHBondContact OG-OE1 2.98Å; L357-E359 HydrophobicContact CD2-CG 4.12Å; L357-E359 HydrophobicContact CG-CG 4.02Å; E359-L369 HydrophobicContact CB-CB 4.44Å; E359-L369 PolarHBondContact N-O 2.91Å; E359-L369 PolarHBondContact O-N 2.96Å
360	L	82.8	Confident	81.5	Confident	87 Å²	87	57.4 Å²	57.4	46%	0.455	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	133.1	174.6	-72.4	162.5	0	0	0	108.9	T155 I362 I368	T155-L360 HydrophobicContact CG2-CD1 4.49Å; T155-L360 HydrophobicContact CG2-CG 4.25Å; L360-I362 PolarHBondContact O-N 3.16Å; L360-I368 HydrophobicContact CD2-CG1 4.43Å
361	S	79	Confident	81.6	Confident	14 Å²	14	55.5 Å²	55.5	10%	0.098	28%	0.276	C	S	.	.			trans	-66.4	130.5	171.3	-176.8	0	0	0	0	110	K363 I367	S361-K363 PolarHBondContact O-N 3.06Å; S361-K363 PolarHBondContact OG-N 3.11Å; S361-I367 WeakPolarHBondContact CB-O 3.4Å; S361-I367 PolarHBondContact N-O 3.49Å
362	I	71.5	Confident	81.5	Confident	177 Å²	177	55.9 Å²	55.9	91%	0.908	28%	0.278	S	S	*	.	S	Bend	trans	-66.5	-26.3	177	-57.5	161.6	0	0	0	110.6	L360	L360-I362 PolarHBondContact O-N 3.16Å
363	K	65.6	Low	81.2	Confident	191 Å²	191	58.3 Å²	58.3	83%	0.83	29%	0.29	S	S	*	.	S	Bend	trans	-88.1	-30.8	-172.4	-65.7	-176.2	179	179.6	0	113.8	S361	S361-K363 PolarHBondContact O-N 3.06Å; S361-K363 PolarHBondContact OG-N 3.11Å
364	K	66.7	Low	80	Confident	135 Å²	135	60.1 Å²	60.1	59%	0.587	30%	0.3	S	S	*	.			trans	-141.9	121.4	-175.1	-75.6	178	175.4	175.9	0	109.7	N366 I367	K364-N366 PolarHBondContact O-N 3.19Å; K364-N366 VanDerWaalsContact O-N 3.12Å; K364-I367 HydrophobicContact CB-CB 4.22Å; K364-I367 HydrophobicContact CB-CD1 3.87Å; K364-I367 HydrophobicContact CB-CG1 3.85Å; K364-I367 HydrophobicContact CD-CD1 3.39Å; K364-I367 HydrophobicContact CD-CG1 4.18Å; K364-I367 HydrophobicContact CG-CD1 4.24Å; K364-I367 PolarHBondContact O-N 3.49Å
365	T	63.9	Low	78.1	Confident	124 Å²	124	61 Å²	61	76%	0.761	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.6	-175.4	54.5	0	0	0	0	114
366	N	72.8	Confident	75.6	Confident	120 Å²	120	68 Å²	68	64%	0.642	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	5.8	-175	-60.3	-2.1	0	0	0	113.2	K364 S400	K364-N366 PolarHBondContact O-N 3.19Å; K364-N366 VanDerWaalsContact O-N 3.12Å; N366-S400 WeakPolarHBondContact O-CA 3.46Å
367	I	75.6	Confident	73	Confident	23 Å²	23	77.3 Å²	77.3	12%	0.118	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.4	179.3	-62.1	-172	0	0	0	109.5	S361 K364 E398	S361-I367 WeakPolarHBondContact CB-O 3.4Å; S361-I367 PolarHBondContact N-O 3.49Å; K364-I367 HydrophobicContact CB-CB 4.22Å; K364-I367 HydrophobicContact CB-CD1 3.87Å; K364-I367 HydrophobicContact CB-CG1 3.85Å; K364-I367 HydrophobicContact CD-CD1 3.39Å; K364-I367 HydrophobicContact CD-CG1 4.18Å; K364-I367 HydrophobicContact CG-CD1 4.24Å; K364-I367 PolarHBondContact O-N 3.49Å; I367-E398 HydrophobicContact CG2-CB 3.58Å; I367-E398 HydrophobicContact CG2-CG 3.61Å
368	I	80.4	Confident	70.3	Confident	13 Å²	13	83.7 Å²	83.7	7%	0.067	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.6	171.5	-65.1	158.4	0	0	0	107.4	T155 F358 L360 F399 I401	T155-I368 WeakPolarHBondContact O-CD1 3.24Å; F358-I368 HydrophobicContact CB-CG2 3.93Å; F358-I368 HydrophobicContact CD2-CG2 3.79Å; F358-I368 HydrophobicContact CE2-CG2 4.41Å; F358-I368 HydrophobicContact CG-CG2 3.86Å; L360-I368 HydrophobicContact CD2-CG1 4.43Å; I368-F399 HydrophobicContact CB-CE2 4.37Å; I368-F399 HydrophobicContact CG2-CZ 4.5Å; I368-F399 PolarHBondContact N-O 3.3Å; I368-F399 PolarHBondContact O-N 3.24Å; I368-F399 VanDerWaalsContact O-N 3.16Å; I368-I401 HydrophobicContact CD1-CB 4.36Å; I368-I401 HydrophobicContact CD1-CD1 3.3Å; I368-I401 HydrophobicContact CD1-CG1 3.76Å
369	L	81.9	Confident	67.6	Low	29 Å²	29	87 Å²	87	15%	0.152	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	128.7	171.6	-70.7	159.7	0	0	0	108.2	F358 E359 F396 W397 E398	F358-L369 WeakPolarHBondContact CA-O 3.4Å; E359-L369 HydrophobicContact CB-CB 4.44Å; E359-L369 PolarHBondContact N-O 2.91Å; E359-L369 PolarHBondContact O-N 2.96Å; L369-F396 HydrophobicContact CB-CD1 4.32Å; L369-F396 HydrophobicContact CD2-CB 3.99Å; L369-F396 HydrophobicContact CD2-CD1 4.43Å; L369-W397 WeakPolarHBondContact CA-O 3.49Å; L369-E398 HydrophobicContact CD2-CG 3.43Å; L369-E398 VanDerWaalsContact CD2-CG 3.43Å; L369-E398 HydrophobicContact CG-CG 4.38Å
370	C	83.7	Confident	64.8	Low	1 Å²	1	90.3 Å²	90.3	1%	0.007	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135	175	-74.2	0	0	0	0	112	I356 L357 F358 W397 F399	I356-C370 HydrophobicContact CG2-CB 3.95Å; L357-C370 WeakPolarHBondContact O-CA 3.45Å; F358-C370 WeakPolarHBondContact CD1-SG 3.48Å; F358-C370 HydrophobicContact CE1-CB 4.49Å; F358-C370 WeakPolarHBondContact CE1-SG 3.12Å; C370-W397 PolarHBondContact N-O 3.33Å; C370-W397 PolarHBondContact O-N 3.46Å; C370-F399 HydrophobicContact CB-CE1 3.68Å; C370-F399 HydrophobicContact CB-CZ 4.37Å; C370-F399 WeakPolarHBondContact SG-CE1 3.48Å; C370-F399 WeakPolarHBondContact SG-CZ 3.24Å
371	K	84.6	Confident	62.5	Low	47 Å²	47	95.8 Å²	95.8	20%	0.204	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	125.7	178.7	-179.7	175.5	-178.5	175.6	0	109.9	I356 L357 I373 E394 F396	I356-K371 CarbonylContact C-O 3.52Å; I356-K371 WeakPolarHBondContact CA-O 2.94Å; L357-K371 HydrophobicContact CB-CB 4.37Å; L357-K371 PolarHBondContact N-O 3.45Å; L357-K371 PolarHBondContact O-N 3.43Å; K371-I373 PolarHBondContact O-N 3.06Å; K371-E394 IonicContact NZ-OE1 2.74Å; K371-E394 PolarHBondContact NZ-OE1 3.5Å; K371-E394 IonicContact NZ-OE2 3.85Å; K371-E394 PolarHBondContact NZ-OE2 3.32Å; K371-F396 HydrophobicContact CD-CE1 4.24Å; K371-F396 HydrophobicContact CD-CZ 4.34Å
372	L	84.1	Confident	60.3	Low	35 Å²	35	103 Å²	103	18%	0.183	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	119	173	-166.4	71.6	0	0	0	109.8	L136 L137 Y354 I356 N374	L136-L372 HydrophobicContact CD1-CB 4.11Å; L136-L372 HydrophobicContact CD1-CD2 4.2Å; L136-L372 HydrophobicContact CD2-CB 4.07Å; L136-L372 HydrophobicContact CG-CB 4.24Å; L136-L372 HydrophobicContact CG-CD2 4.38Å; L137-L372 HydrophobicContact CD2-CD1 4.44Å; Y354-L372 HydrophobicContact CD1-CD1 4.13Å; I356-L372 HydrophobicContact CG1-CD1 3.89Å; L372-N374 WeakPolarHBondContact CD2-OD1 3.38Å
373	I	79.5	Confident	58.5	Low	53 Å²	53	99.6 Å²	99.6	27%	0.272	49%	0.485	S	S	.	.			trans	-94.4	98.2	174.4	-58.5	176.9	0	0	0	107.3	I150 R355 L357 K371	I150-I373 HydrophobicContact CD1-CD1 4.48Å; R355-I373 HydrophobicContact CB-CB 4.09Å; R355-I373 PolarHBondContact O-N 2.94Å; L357-I373 HydrophobicContact CB-CD1 3.69Å; L357-I373 HydrophobicContact CB-CG1 4.17Å; L357-I373 HydrophobicContact CD2-CD1 4.28Å; L357-I373 HydrophobicContact CG-CD1 4.45Å; K371-I373 PolarHBondContact O-N 3.06Å
374	N	63.5	Low	56.7	Low	85 Å²	85	97.3 Å²	97.3	46%	0.455	48%	0.482	S	S	.	.			trans	-74.7	130.7	-179.9	-81.8	-30.9	0	0	0	112	L372 L376 I379	L372-N374 WeakPolarHBondContact CD2-OD1 3.38Å; N374-L376 PolarHBondContact O-N 2.93Å; N374-I379 HydrophobicContact CB-CD1 4.36Å; N374-I379 VanDerWaalsContact ND2-CD1 3.29Å; N374-I379 WeakPolarHBondContact ND2-CD1 3.32Å
375	N	50.8	Low	54.8	Low	57 Å²	57	98.3 Å²	98.3	31%	0.305	49%	0.493	S	S	.	.			trans	-68.6	120.4	160.2	-82.7	-29.2	0	0	0	108.8	S349 S352 K377	S349-N375 PolarHBondContact O-ND2 3.32Å; S349-N375 PolarHBondContact O-OD1 3.16Å; S352-N375 PolarHBondContact O-ND2 3.18Å; N375-K377 PolarHBondContact O-N 3.05Å
376	L	39.7	Very low	52.9	Low	168 Å²	168	97.6 Å²	97.6	88%	0.88	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	11.4	-171.9	-83.4	153.7	0	0	0	117.8	N374	N374-L376 PolarHBondContact O-N 2.93Å
377	K	35.9	Very low	50.6	Low	195 Å²	195	101.3 Å²	101.3	85%	0.848	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	-18.5	-172.9	-71.4	-173.9	177.3	-179.9	0	117	N375	N375-K377 PolarHBondContact O-N 3.05Å
378	K	36.1	Very low	48	Very low	142 Å²	142	110.3 Å²	110.3	62%	0.617	54%	0.541	S	S	*	.	S	Bend	trans	-89.9	-17.8	-176.5	-82.5	-176.1	176.7	178.8	0	115.4	E145	E145-K378 IonicContact OE1-NZ 3.92Å
379	I	34.7	Very low	45.2	Very low	72 Å²	72	117.2 Å²	117.2	37%	0.369	57%	0.572	S	S	.	*	G	3₁₀ helix	trans	-86.3	-22.8	-171.4	-73.1	175.5	0	0	0	114.1	N374 K381 Q382 I383	N374-I379 HydrophobicContact CB-CD1 4.36Å; N374-I379 VanDerWaalsContact ND2-CD1 3.29Å; N374-I379 WeakPolarHBondContact ND2-CD1 3.32Å; I379-K381 PolarHBondContact O-N 3Å; I379-Q382 PolarHBondContact O-N 2.77Å; I379-Q382 VanDerWaalsContact O-N 3.13Å; I379-I383 HydrophobicContact CG2-CD1 3.18Å; I379-I383 HydrophobicContact CG2-CG1 3.65Å
380	N	29.1	Very low	42.5	Very low	128 Å²	128	125.3 Å²	125.3	68%	0.684	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-66.1	-8.8	-175.9	-78	-7	0	0	0	114.9
381	K	32.9	Very low	39.7	Very low	202 Å²	202	134.1 Å²	134.1	88%	0.878	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-96.3	-15.6	174.6	-98.8	-177.4	175.3	-179.6	0	115.2	I379	I379-K381 PolarHBondContact O-N 3Å
382	Q	33.1	Very low	36.9	Very low	166 Å²	166	140.2 Å²	140.2	78%	0.776	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	-15.5	-178.6	-83.3	-177.8	-18.7	0	0	114.2	I379 N384	I379-Q382 PolarHBondContact O-N 2.77Å; I379-Q382 VanDerWaalsContact O-N 3.13Å; Q382-N384 PolarHBondContact O-N 3.14Å
383	I	33.1	Very low	34.2	Very low	106 Å²	106	142.3 Å²	142.3	54%	0.544	69%	0.688	S	S	.	*	G	3₁₀ helix	trans	-78.8	-12.4	-176.6	-69.9	-173.1	0	0	0	114	I379 N385	I379-I383 HydrophobicContact CG2-CD1 3.18Å; I379-I383 HydrophobicContact CG2-CG1 3.65Å; I383-N385 PolarHBondContact O-N 3.28Å; I383-N385 VanDerWaalsContact O-N 3.12Å
384	N	29.2	Very low	32	Very low	143 Å²	143	145.2 Å²	145.2	77%	0.765	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-73.1	-4	-175.8	-79.2	-6.4	0	0	0	115.7	Q382	Q382-N384 PolarHBondContact O-N 3.14Å
385	N	27.4	Very low	30.8	Very low	156 Å²	156	144.9 Å²	144.9	83%	0.834	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-123.2	11.6	-178.6	-90.3	-0.2	0	0	0	116.3	I383	I383-N385 PolarHBondContact O-N 3.28Å; I383-N385 VanDerWaalsContact O-N 3.12Å
386	C	23.8	Very low	30.1	Very low	109 Å²	109	146.3 Å²	146.3	74%	0.736	71%	0.705	S	S	*	*	S	Bend	trans	-133.5	130.1	172.7	-82.3	0	0	0	0	111.2	K388	C386-K388 PolarHBondContact O-N 3.3Å
387	K	23.6	Very low	30.2	Very low	198 Å²	198	143.2 Å²	143.2	86%	0.861	68%	0.682	S	S	*	*			trans	-39.4	129.1	-171.1	-68.8	175.6	176.8	176.8	0	113	H389	K387-H389 PolarHBondContact O-N 3Å
388	K	21	Very low	30.3	Very low	211 Å²	211	138.7 Å²	138.7	92%	0.917	66%	0.664	S	S	*	*			trans	-50.9	100.8	167.8	-74.9	178	175.7	176.2	0	110.3	C386	C386-K388 PolarHBondContact O-N 3.3Å
389	H	22.5	Very low	30.9	Very low	158 Å²	158	132.8 Å²	132.8	73%	0.731	64%	0.638	S	S	*	*			trans	-125.4	121.7	152.9	-86.8	-70.1	0	0	0	109.1	K387 Y391	K387-H389 PolarHBondContact O-N 3Å; H389-Y391 PolarHBondContact O-N 2.99Å
390	K	23.7	Very low	31.2	Very low	200 Å²	200	133.6 Å²	133.6	87%	0.87	65%	0.65	S	S	*	*			trans	-34.5	120.6	169.5	-77.6	173.1	169.7	175.9	0	111.2
391	Y	24.8	Very low	32.1	Very low	185 Å²	185	130.1 Å²	130.1	73%	0.725	63%	0.631	S	S	*	*			trans	-151.3	93.5	159.5	-85.4	-58.6	0	0	0	112	H389 T393	H389-Y391 PolarHBondContact O-N 2.99Å; Y391-T393 VanDerWaalsContact CB-OG1 3.27Å; Y391-T393 WeakPolarHBondContact CB-OG1 3.38Å; Y391-T393 HydrophobicContact CD1-CG2 3.28Å; Y391-T393 WeakPolarHBondContact CD1-OG1 3.46Å; Y391-T393 HydrophobicContact CE1-CG2 3.75Å; Y391-T393 HydrophobicContact CG-CG2 4.31Å; Y391-T393 PolarHBondContact O-N 3.08Å
392	I	26.4	Very low	32	Very low	176 Å²	176	126.6 Å²	126.6	90%	0.903	62%	0.619	S	S	*	*			trans	-73.1	82.7	136.8	-59.8	167	0	0	0	104.1
393	T	27.5	Very low	32	Very low	79 Å²	79	124.5 Å²	124.5	49%	0.485	61%	0.611	S	S	.	*			trans	-126.1	107.1	165.1	37	0	0	0	0	108.2	Y391 T395	Y391-T393 VanDerWaalsContact CB-OG1 3.27Å; Y391-T393 WeakPolarHBondContact CB-OG1 3.38Å; Y391-T393 HydrophobicContact CD1-CG2 3.28Å; Y391-T393 WeakPolarHBondContact CD1-OG1 3.46Å; Y391-T393 HydrophobicContact CE1-CG2 3.75Å; Y391-T393 HydrophobicContact CG-CG2 4.31Å; Y391-T393 PolarHBondContact O-N 3.08Å; T393-T395 PolarHBondContact O-N 3.42Å
394	E	32.4	Very low	31.9	Very low	114 Å²	114	125.5 Å²	125.5	53%	0.533	61%	0.614	S	S	.	*			trans	-63.1	102.9	162.3	-53.2	-164.7	146.1	0	0	106.9	K371 F396	K371-E394 IonicContact NZ-OE1 2.74Å; K371-E394 PolarHBondContact NZ-OE1 3.5Å; K371-E394 IonicContact NZ-OE2 3.85Å; K371-E394 PolarHBondContact NZ-OE2 3.32Å; E394-F396 HydrophobicContact CB-CD2 4.15Å; E394-F396 HydrophobicContact CB-CE2 3.6Å; E394-F396 HydrophobicContact CB-CZ 4.3Å; E394-F396 WeakPolarHBondContact O-CD2 3.48Å; E394-F396 PolarHBondContact O-N 2.9Å; E394-F396 WeakPolarHBondContact OE2-CZ 3.49Å
395	T	39.1	Very low	32.1	Very low	77 Å²	77	124.5 Å²	124.5	47%	0.472	61%	0.606	S	S	.	*			trans	-81.9	106.8	175.6	43.8	0	0	0	0	108	T393	T393-T395 PolarHBondContact O-N 3.42Å
396	F	35.6	Very low	32.4	Very low	88 Å²	88	122.5 Å²	122.5	39%	0.386	59%	0.591	S	S	.	*			trans	-91.5	131.4	173.5	-71.2	-88.5	0	0	0	109.3	L369 K371 E394	L369-F396 HydrophobicContact CB-CD1 4.32Å; L369-F396 HydrophobicContact CD2-CB 3.99Å; L369-F396 HydrophobicContact CD2-CD1 4.43Å; K371-F396 HydrophobicContact CD-CE1 4.24Å; K371-F396 HydrophobicContact CD-CZ 4.34Å; E394-F396 HydrophobicContact CB-CD2 4.15Å; E394-F396 HydrophobicContact CB-CE2 3.6Å; E394-F396 HydrophobicContact CB-CZ 4.3Å; E394-F396 WeakPolarHBondContact O-CD2 3.48Å; E394-F396 PolarHBondContact O-N 2.9Å; E394-F396 WeakPolarHBondContact OE2-CZ 3.49Å
397	W	43.1	Very low	33	Very low	102 Å²	102	123.4 Å²	123.4	39%	0.386	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.6	128.1	178.6	-60.2	87.1	0	0	0	109.7	N132 L369 C370	N132-W397 HydrophobicContact CB-CE3 4.41Å; L369-W397 WeakPolarHBondContact CA-O 3.49Å; C370-W397 PolarHBondContact N-O 3.33Å; C370-W397 PolarHBondContact O-N 3.46Å
398	E	38.2	Very low	33.6	Very low	101 Å²	101	118.1 Å²	118.1	47%	0.472	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.4	134.5	-179.6	-72.4	-171.2	171.2	0	0	110.8	I367 L369	I367-E398 HydrophobicContact CG2-CB 3.58Å; I367-E398 HydrophobicContact CG2-CG 3.61Å; L369-E398 HydrophobicContact CD2-CG 3.43Å; L369-E398 VanDerWaalsContact CD2-CG 3.43Å; L369-E398 HydrophobicContact CG-CG 4.38Å
399	F	48.4	Very low	34.6	Very low	18 Å²	18	110.9 Å²	110.9	8%	0.079	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	158	163.5	57.9	-98.3	0	0	0	112	I130 F358 I368 C370 I401	I130-F399 HydrophobicContact CD1-CD2 3.66Å; I130-F399 HydrophobicContact CD1-CE1 4.44Å; I130-F399 HydrophobicContact CD1-CE2 3.59Å; I130-F399 HydrophobicContact CD1-CG 4.15Å; I130-F399 HydrophobicContact CD1-CZ 4Å; I130-F399 HydrophobicContact CG2-CB 4.02Å; I130-F399 HydrophobicContact CG2-CD1 4.14Å; I130-F399 HydrophobicContact CG2-CG 4.05Å; F358-F399 HydrophobicContact CE1-CZ 4.29Å; F358-F399 HydrophobicContact CE2-CZ 4.37Å; F358-F399 AromaticContact CZ-CZ 3.92Å; F358-F399 HydrophobicContact CZ-CZ 3.92Å; I368-F399 HydrophobicContact CB-CE2 4.37Å; I368-F399 HydrophobicContact CG2-CZ 4.5Å; I368-F399 PolarHBondContact N-O 3.3Å; I368-F399 PolarHBondContact O-N 3.24Å; I368-F399 VanDerWaalsContact O-N 3.16Å; C370-F399 HydrophobicContact CB-CE1 3.68Å; C370-F399 HydrophobicContact CB-CZ 4.37Å; C370-F399 WeakPolarHBondContact SG-CE1 3.48Å; C370-F399 WeakPolarHBondContact SG-CZ 3.24Å; F399-I401 HydrophobicContact CD2-CD1 4.47Å; F399-I401 HydrophobicContact CD2-CG1 3.73Å; F399-I401 HydrophobicContact CE2-CD1 3.74Å; F399-I401 HydrophobicContact CE2-CG1 3.49Å; F399-I401 VanDerWaalsContact CE2-CG1 3.49Å
400	S	40	Very low	35.6	Very low	89 Å²	89	107 Å²	107	62%	0.622	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.7	172.1	59.1	0	0	0	0	110.1	N366	N366-S400 WeakPolarHBondContact O-CA 3.46Å
401	I	48.1	Very low	36.7	Very low	55 Å²	55	98.5 Å²	98.5	28%	0.282	49%	0.486	S	S	.	.			trans	-93.5	0	172.6	-56.1	-178.7	0	0	0	110.3	Q159 F160 Y194 F358 I368 F399	Q159-I401 HydrophobicContact CB-CG2 3.69Å; F160-I401 HydrophobicContact CB-CD1 4.01Å; Y194-I401 HydrophobicContact CE1-CG2 4.38Å; Y194-I401 WeakPolarHBondContact OH-CG2 3.26Å; F358-I401 HydrophobicContact CE2-CD1 4.31Å; I368-I401 HydrophobicContact CD1-CB 4.36Å; I368-I401 HydrophobicContact CD1-CD1 3.3Å; I368-I401 HydrophobicContact CD1-CG1 3.76Å; F399-I401 HydrophobicContact CD2-CD1 4.47Å; F399-I401 HydrophobicContact CD2-CG1 3.73Å; F399-I401 HydrophobicContact CE2-CD1 3.74Å; F399-I401 HydrophobicContact CE2-CG1 3.49Å; F399-I401 VanDerWaalsContact CE2-CG1 3.49Å

Retrieved 401 of 401 residues in 259.6 ms (Link to these results)

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