A0A093HZT4_STRCA Loading...

non-specific serine/threonine protein kinase

AlphaFold DB (P21868), UniProt , Accession A0A093HZT4, Species STRCA (Struthio camelus australis), Gene n/a, Length 391 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	62.5	Low	93.1	Very high	217 Å²	217	76.3 Å²	76.3	100%	1.069	43%	0.427	S	S	*	.				0	169.6	0	-62.8	169	-173.9	0	0	107.7
2	S	84.8	Confident	93.6	Very high	89 Å²	89	75.4 Å²	75.4	62%	0.622	41%	0.413	S	S	*	.			trans	-63.7	149.9	162.7	38.1	0	0	0	0	109.8	N262	S2-N262 PolarHBondContact O-ND2 3.09Å; S2-N262 PolarHBondContact OG-ND2 3.45Å
3	G	91.7	Very high	94	Very high	52 Å²	52	72.1 Å²	72.1	54%	0.536	40%	0.397	S	S	.	.			trans	-72.6	174.1	169.7	0	0	0	0	0	112.3	N262	G3-N262 PolarHBondContact O-ND2 2.66Å
4	P	96.3	Very high	94.3	Very high	60 Å²	60	71.9 Å²	71.9	39%	0.39	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-61.5	143.6	177	26.3	-34.6	0	0	0	111.6	Y206 M208 Y261	P4-Y206 HydrophobicContact CB-CD2 4.29Å; P4-Y206 HydrophobicContact CB-CE2 4.08Å; P4-M208 HydrophobicContact CG-CE 4.21Å; P4-Y261 CarbonylContact C-O 3.46Å; P4-Y261 WeakPolarHBondContact CA-O 3.23Å
5	V	98	Very high	94.6	Very high	63 Å²	63	69.5 Å²	69.5	38%	0.382	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-67.1	132.1	179	-176.9	0	0	0	0	109.3	Y206 Y261 N262	V5-Y206 WeakPolarHBondContact O-CE2 3.22Å; V5-Y206 PolarHBondContact O-OH 2.96Å; V5-Y261 HydrophobicContact CB-CD1 4.38Å; V5-Y261 PolarHBondContact N-O 2.63Å; V5-N262 HydrophobicContact CG2-CB 3.98Å
6	P	97.6	Very high	94.8	Very high	83 Å²	83	65.2 Å²	65.2	54%	0.539	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-71.1	137.2	-177.9	27.9	-35.2	0	0	0	113	M208	P6-M208 HydrophobicContact CB-CE 4.19Å; P6-M208 HydrophobicContact CB-SD 3.79Å
7	S	98.3	Very high	95	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.007	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-102.5	161.3	172.9	179.8	0	0	0	0	111.9	Y206 M208 H309 Q310	S7-Y206 WeakPolarHBondContact CB-OH 3.41Å; S7-Y206 PolarHBondContact N-OH 2.95Å; S7-Y206 VanDerWaalsContact N-OH 3.1Å; S7-M208 WeakPolarHBondContact CB-O 3.4Å; S7-H309 WeakPolarHBondContact CB-NE2 3.49Å; S7-H309 PolarHBondContact OG-NE2 2.94Å; S7-Q310 PolarHBondContact OG-NE2 2.87Å
8	R	98.5	Very high	95.2	Very high	113 Å²	113	71.4 Å²	71.4	43%	0.426	39%	0.389	S	S	.	.			trans	-137.7	145.1	168.2	-65.7	-63	-177.4	-87.7	6.6	108.6	T13 G185	R8-T13 HydrophobicContact CB-CG2 4Å; R8-G185 VanDerWaalsContact NH1-CA 3.25Å
9	A	98.8	Very high	95.3	Very high	5 Å²	5	73.2 Å²	73.2	4%	0.041	39%	0.389	C	S	.	.			trans	-59.5	139.5	171.7	0	0	0	0	0	110.7	V11 T13 Y182 D210 Y211	A9-V11 VanDerWaalsContact C-N 3.28Å; A9-V11 WeakPolarHBondContact CB-O 3.41Å; A9-V11 PolarHBondContact O-N 1.89Å; A9-T13 HydrophobicContact CB-CG2 4.49Å; A9-T13 WeakPolarHBondContact O-CG2 3.47Å; A9-T13 PolarHBondContact O-OG1 2.7Å; A9-Y182 HydrophobicContact CB-CD1 4.47Å; A9-Y182 HydrophobicContact CB-CE1 3.82Å; A9-Y182 PolarHBondContact N-OH 2.96Å; A9-D210 HydrophobicContact CB-CB 3.8Å; A9-Y211 HydrophobicContact CB-CD2 3.66Å; A9-Y211 HydrophobicContact CB-CE2 3.64Å
10	R	98.8	Very high	95.5	Very high	112 Å²	112	73.8 Å²	73.8	42%	0.423	40%	0.398	S	S	.	.	S	Bend	trans	-69.9	-23.8	176.5	-65.6	-161.1	-66.6	101.5	-7.6	113.9	Q310 R312 E317	R10-Q310 VanDerWaalsContact CD-O 3.28Å; R10-Q310 WeakPolarHBondContact CD-O 3.41Å; R10-Q310 HydrophobicContact CG-CB 4.48Å; R10-Q310 PolarHBondContact NE-O 3.29Å; R10-R312 PolarHBondContact NH2-O 2.62Å; R10-E317 IonicContact CZ-OE1 2.71Å; R10-E317 IonicContact CZ-OE2 3.5Å; R10-E317 IonicContact NH1-OE1 2.72Å; R10-E317 PolarHBondContact NH1-OE1 3.22Å; R10-E317 IonicContact NH1-OE2 3.61Å; R10-E317 IonicContact NH2-OE1 3.98Å; R10-E317 PolarHBondContact NH2-OE1 3.07Å; R10-E317 IonicContact NH2-OE2 3.28Å; R10-E317 PolarHBondContact NH2-OE2 3.36Å
11	V	98.8	Very high	95.6	Very high	44 Å²	44	77.1 Å²	77.1	27%	0.267	41%	0.405	S	S	.	.	S	Bend	trans	-136.3	158.2	179.4	-67	0	0	0	0	109.5	A9 T13 Y211 T314	A9-V11 VanDerWaalsContact C-N 3.28Å; A9-V11 WeakPolarHBondContact CB-O 3.41Å; A9-V11 PolarHBondContact O-N 1.89Å; V11-T13 PolarHBondContact O-N 3.24Å; V11-Y211 VanDerWaalsContact O-CE2 3.3Å; V11-Y211 WeakPolarHBondContact O-CE2 3.15Å; V11-T314 HydrophobicContact CB-CG2 4.33Å; V11-T314 HydrophobicContact CG1-CG2 3.86Å; V11-T314 HydrophobicContact CG2-CG2 3.49Å; V11-T314 VanDerWaalsContact CG2-CG2 3.49Å
12	Y	98.8	Very high	97.3	Very high	66 Å²	66	73 Å²	73	26%	0.259	38%	0.383	S	S	.	.	S	Bend	trans	52.7	27.7	177.8	-45.7	-56	0	0	0	114.3	D14 V15 D145 H148 S149 Y211	Y12-D14 VanDerWaalsContact C-N 3.34Å; Y12-D14 PolarHBondContact O-N 3.16Å; Y12-V15 HydrophobicContact CD1-CG1 4.27Å; Y12-V15 WeakPolarHBondContact O-CG2 3.37Å; Y12-D145 PolarHBondContact OH-OD1 3.08Å; Y12-H148 WeakPolarHBondContact CB-O 3.33Å; Y12-H148 VanDerWaalsContact CD2-C 3.47Å; Y12-H148 HydrophobicContact CD2-CB 3.88Å; Y12-H148 HydrophobicContact CE2-CB 4.1Å; Y12-S149 VanDerWaalsContact CE1-CB 3.46Å; Y12-S149 VanDerWaalsContact CZ-CB 3.49Å; Y12-Y211 PolarHBondContact O-OH 2.75Å
13	T	98.8	Very high	97.9	Very high	32 Å²	32	70 Å²	70	20%	0.196	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-40.3	-167.5	-39.1	0	0	0	0	112.9	R8 A9 V11 Y182 P184	R8-T13 HydrophobicContact CB-CG2 4Å; A9-T13 HydrophobicContact CB-CG2 4.49Å; A9-T13 WeakPolarHBondContact O-CG2 3.47Å; A9-T13 PolarHBondContact O-OG1 2.7Å; V11-T13 PolarHBondContact O-N 3.24Å; T13-Y182 HydrophobicContact CG2-CE1 4.49Å; T13-Y182 WeakPolarHBondContact O-CE1 3.24Å; T13-P184 HydrophobicContact CG2-CB 4.34Å
14	D	98.6	Very high	98.3	Very high	69 Å²	69	71.2 Å²	71.2	37%	0.369	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	15	-172.7	-61.1	-79	0	0	0	113.1	Y12 N16 T17 H18	Y12-D14 VanDerWaalsContact C-N 3.34Å; Y12-D14 PolarHBondContact O-N 3.16Å; D14-N16 VanDerWaalsContact C-N 3.28Å; D14-N16 PolarHBondContact O-N 2.71Å; D14-T17 WeakPolarHBondContact O-CA 3.18Å; D14-T17 VanDerWaalsContact O-CB 3.27Å; D14-T17 WeakPolarHBondContact O-CB 3.28Å; D14-T17 PolarHBondContact O-N 3.19Å; D14-H18 PolarHBondContact O-N 3.14Å; D14-H18 VanDerWaalsContact O-N 3.16Å; D14-H18 PolarHBondContact O-ND1 3.48Å
15	V	98.6	Very high	98.3	Very high	36 Å²	36	69.1 Å²	69.1	22%	0.218	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-35.4	-172.6	-61.5	0	0	0	0	112.6	Y12 H18 R19	Y12-V15 HydrophobicContact CD1-CG1 4.27Å; Y12-V15 WeakPolarHBondContact O-CG2 3.37Å; V15-H18 PolarHBondContact O-N 2.78Å; V15-R19 WeakPolarHBondContact O-CG 3.39Å; V15-R19 PolarHBondContact O-N 3.1Å
16	N	98.7	Very high	98.4	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.005	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-30.4	174.3	-70.8	-40.9	0	0	0	112.9	D14 H18 R19 Y23 W24 G151 Y182	D14-N16 VanDerWaalsContact C-N 3.28Å; D14-N16 PolarHBondContact O-N 2.71Å; N16-H18 PolarHBondContact O-N 3.18Å; N16-R19 PolarHBondContact O-N 3.18Å; N16-Y23 WeakPolarHBondContact OD1-CD1 3.44Å; N16-Y23 VanDerWaalsContact OD1-CE1 3.27Å; N16-Y23 WeakPolarHBondContact OD1-CE1 3.39Å; N16-W24 HydrophobicContact CB-CG 4.4Å; N16-W24 VanDerWaalsContact O-CD1 3.3Å; N16-W24 PolarHBondContact O-NE1 3.22Å; N16-W24 VanDerWaalsContact O-NE1 3.12Å; N16-G151 PolarHBondContact ND2-O 3.39Å; N16-Y182 PolarHBondContact ND2-N 3.08Å; N16-Y182 PolarHBondContact ND2-O 2.99Å
17	T	98	Very high	98.3	Very high	86 Å²	86	68 Å²	68	53%	0.528	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-33.4	174	-42.4	0	0	0	0	111.5	D14	D14-T17 WeakPolarHBondContact O-CA 3.18Å; D14-T17 VanDerWaalsContact O-CB 3.27Å; D14-T17 WeakPolarHBondContact O-CB 3.28Å; D14-T17 PolarHBondContact O-N 3.19Å
18	H	98.1	Very high	98.3	Very high	157 Å²	157	71.7 Å²	71.7	73%	0.727	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	1.5	178.4	-61.1	100.5	0	0	0	114.3	D14 V15 N16	D14-H18 PolarHBondContact O-N 3.14Å; D14-H18 VanDerWaalsContact O-N 3.16Å; D14-H18 PolarHBondContact O-ND1 3.48Å; V15-H18 PolarHBondContact O-N 2.78Å; N16-H18 PolarHBondContact O-N 3.18Å
19	R	98.2	Very high	98.2	Very high	104 Å²	104	67.6 Å²	67.6	39%	0.392	33%	0.326	S	S	.	.	S	Bend	trans	-96.3	152.9	176.1	-69.3	-84.5	-171.9	-176.7	5.7	110.7	V15 N16 Y23 M150	V15-R19 WeakPolarHBondContact O-CG 3.39Å; V15-R19 PolarHBondContact O-N 3.1Å; N16-R19 PolarHBondContact O-N 3.18Å; R19-Y23 HydrophobicContact CB-CD1 3.86Å; R19-Y23 HydrophobicContact CB-CG 3.89Å; R19-Y23 HydrophobicContact CG-CD1 3.78Å; R19-Y23 HydrophobicContact CG-CE1 4.12Å; R19-Y23 HydrophobicContact CG-CG 4.01Å; R19-M150 PolarHBondContact NH2-SD 3.47Å; R19-M150 VanDerWaalsContact NH2-SD 3.43Å
20	P	98.3	Very high	98.2	Very high	86 Å²	86	73.3 Å²	73.3	56%	0.558	36%	0.36	S	S	*	.			trans	-52	145.8	166	-23.4	33.7	0	0	0	110.9	E22 Y23	P20-E22 VanDerWaalsContact CB-OE2 3.24Å; P20-E22 WeakPolarHBondContact CB-OE2 3.45Å; P20-E22 PolarHBondContact O-N 3.1Å; P20-E22 VanDerWaalsContact O-N 3.12Å; P20-Y23 WeakPolarHBondContact O-CB 3.18Å; P20-Y23 PolarHBondContact O-N 3.32Å
21	R	97.9	Very high	98.1	Very high	144 Å²	144	68.8 Å²	68.8	54%	0.543	35%	0.345	S	S	.	.	H	α-helix	trans	-55.7	-35.7	-176.1	175.1	176.9	171.6	166.1	-0.8	111.8	Y23 W24 D25	R21-Y23 PolarHBondContact O-N 3.03Å; R21-Y23 VanDerWaalsContact O-N 3.12Å; R21-W24 HydrophobicContact CB-CZ2 4.28Å; R21-W24 HydrophobicContact CG-CH2 4.08Å; R21-W24 HydrophobicContact CG-CZ2 4.03Å; R21-W24 PolarHBondContact O-N 3.49Å; R21-D25 HydrophobicContact CG-CB 3.78Å; R21-D25 IonicContact CZ-OD2 3.37Å; R21-D25 IonicContact NE-OD2 2.92Å; R21-D25 PolarHBondContact NE-OD2 3.36Å; R21-D25 IonicContact NH2-OD2 2.74Å; R21-D25 PolarHBondContact NH2-OD2 3.36Å; R21-D25 VanDerWaalsContact O-CB 3.26Å; R21-D25 WeakPolarHBondContact O-CB 3.37Å; R21-D25 PolarHBondContact O-N 3.03Å
22	E	97.6	Very high	98	Very high	131 Å²	131	75 Å²	75	61%	0.612	37%	0.371	S	S	*	.	H	α-helix	trans	-64.5	-14.3	-179	-55.7	66.2	-140.2	0	0	112.9	P20 K83	P20-E22 VanDerWaalsContact CB-OE2 3.24Å; P20-E22 WeakPolarHBondContact CB-OE2 3.45Å; P20-E22 PolarHBondContact O-N 3.1Å; P20-E22 VanDerWaalsContact O-N 3.12Å; E22-K83 WeakPolarHBondContact O-CE 3.01Å
23	Y	98.6	Very high	97.9	Very high	26 Å²	26	75.9 Å²	75.9	10%	0.102	37%	0.374	C	S	.	.	H	α-helix	trans	-70.7	-45.7	173.2	-175.6	-98.5	0	0	0	111.8	N16 R19 P20 R21 K83 N87 M150 F181	N16-Y23 WeakPolarHBondContact OD1-CD1 3.44Å; N16-Y23 VanDerWaalsContact OD1-CE1 3.27Å; N16-Y23 WeakPolarHBondContact OD1-CE1 3.39Å; R19-Y23 HydrophobicContact CB-CD1 3.86Å; R19-Y23 HydrophobicContact CB-CG 3.89Å; R19-Y23 HydrophobicContact CG-CD1 3.78Å; R19-Y23 HydrophobicContact CG-CE1 4.12Å; R19-Y23 HydrophobicContact CG-CG 4.01Å; P20-Y23 WeakPolarHBondContact O-CB 3.18Å; P20-Y23 PolarHBondContact O-N 3.32Å; R21-Y23 PolarHBondContact O-N 3.03Å; R21-Y23 VanDerWaalsContact O-N 3.12Å; Y23-K83 WeakPolarHBondContact O-CE 3.46Å; Y23-N87 HydrophobicContact CE2-CB 3.91Å; Y23-N87 WeakPolarHBondContact CE2-ND2 3.13Å; Y23-N87 PolarHBondContact O-ND2 3.45Å; Y23-M150 WeakPolarHBondContact CE1-O 3.42Å; Y23-M150 HydrophobicContact CE2-CE 4.39Å; Y23-M150 WeakPolarHBondContact OH-CE 3.25Å; Y23-M150 PolarHBondContact OH-O 2.92Å; Y23-F181 HydrophobicContact CD1-CD1 4.46Å; Y23-F181 HydrophobicContact CD1-CE1 4.08Å; Y23-F181 HydrophobicContact CE1-CD1 4.25Å; Y23-F181 AromaticContact CE1-CE1 3.85Å; Y23-F181 HydrophobicContact CE1-CE1 3.85Å; Y23-F181 WeakPolarHBondContact O-CZ 3.38Å
24	W	98.3	Very high	97.9	Very high	76 Å²	76	75.8 Å²	75.8	29%	0.288	38%	0.379	S	S	.	.	H	α-helix	trans	-114.1	-18.6	-171.4	55	-102.6	0	0	0	114.2	N16 R21 Y26 F181 H183	N16-W24 HydrophobicContact CB-CG 4.4Å; N16-W24 VanDerWaalsContact O-CD1 3.3Å; N16-W24 PolarHBondContact O-NE1 3.22Å; N16-W24 VanDerWaalsContact O-NE1 3.12Å; R21-W24 HydrophobicContact CB-CZ2 4.28Å; R21-W24 HydrophobicContact CG-CH2 4.08Å; R21-W24 HydrophobicContact CG-CZ2 4.03Å; R21-W24 PolarHBondContact O-N 3.49Å; W24-Y26 VanDerWaalsContact O-CD1 3.23Å; W24-Y26 WeakPolarHBondContact O-CD1 3.11Å; W24-Y26 PolarHBondContact O-N 2.72Å; W24-F181 HydrophobicContact CB-CB 4.2Å; W24-F181 HydrophobicContact CB-CD1 3.72Å; W24-F181 HydrophobicContact CB-CD2 4.27Å; W24-F181 HydrophobicContact CB-CE1 4.15Å; W24-F181 HydrophobicContact CB-CG 3.79Å; W24-H183 AromaticContact CD2-CE1 3.49Å; W24-H183 VanDerWaalsContact CD2-CE1 3.49Å; W24-H183 AromaticContact CE3-CE1 3.73Å; W24-H183 AromaticContact CE3-NE2 3.94Å; W24-H183 AromaticContact CG-CE1 3.61Å
25	D	98.1	Very high	97.8	Very high	17 Å²	17	75.2 Å²	75.2	9%	0.091	38%	0.376	C	S	.	.			trans	-75.8	72.1	171.9	-168.5	-15	0	0	0	111	R21 E27 S28 H29	R21-D25 HydrophobicContact CG-CB 3.78Å; R21-D25 IonicContact CZ-OD2 3.37Å; R21-D25 IonicContact NE-OD2 2.92Å; R21-D25 PolarHBondContact NE-OD2 3.36Å; R21-D25 IonicContact NH2-OD2 2.74Å; R21-D25 PolarHBondContact NH2-OD2 3.36Å; R21-D25 VanDerWaalsContact O-CB 3.26Å; R21-D25 WeakPolarHBondContact O-CB 3.37Å; R21-D25 PolarHBondContact O-N 3.03Å; D25-E27 PolarHBondContact O-N 3.12Å; D25-E27 PolarHBondContact OD1-N 3.09Å; D25-E27 VanDerWaalsContact OD1-N 3.15Å; D25-S28 PolarHBondContact O-N 3.39Å; D25-S28 PolarHBondContact OD1-N 3.35Å; D25-S28 PolarHBondContact OD2-OG 2.68Å; D25-H29 PolarHBondContact O-N 3.31Å
26	Y	98.3	Very high	97.8	Very high	22 Å²	22	74.4 Å²	74.4	9%	0.086	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-6.8	174.8	64.4	-102.1	0	0	0	113	W24 K76 K79 R80 E180 F181	W24-Y26 VanDerWaalsContact O-CD1 3.23Å; W24-Y26 WeakPolarHBondContact O-CD1 3.11Å; W24-Y26 PolarHBondContact O-N 2.72Å; Y26-K76 HydrophobicContact CD2-CG 4.41Å; Y26-K76 HydrophobicContact CE2-CD 4.25Å; Y26-K76 HydrophobicContact CE2-CG 3.62Å; Y26-K76 WeakPolarHBondContact OH-CE 3.18Å; Y26-K79 WeakPolarHBondContact O-CB 3.25Å; Y26-K79 WeakPolarHBondContact O-CD 3.39Å; Y26-R80 HydrophobicContact CD1-CB 4.21Å; Y26-R80 HydrophobicContact CD1-CG 3.77Å; Y26-R80 HydrophobicContact CD2-CB 3.49Å; Y26-R80 VanDerWaalsContact CD2-CB 3.49Å; Y26-R80 HydrophobicContact CD2-CG 3.98Å; Y26-R80 HydrophobicContact CE1-CB 4.32Å; Y26-R80 HydrophobicContact CE1-CG 3.73Å; Y26-R80 HydrophobicContact CE2-CB 3.61Å; Y26-R80 HydrophobicContact CE2-CG 3.94Å; Y26-R80 HydrophobicContact CG-CB 3.8Å; Y26-R80 HydrophobicContact CG-CG 3.88Å; Y26-R80 VanDerWaalsContact CZ-CD 3.45Å; Y26-E180 PolarHBondContact OH-OE1 2.8Å; Y26-F181 AromaticContact CD1-CD2 3.69Å; Y26-F181 HydrophobicContact CD1-CD2 3.69Å; Y26-F181 AromaticContact CD1-CE2 3.79Å; Y26-F181 HydrophobicContact CD1-CE2 3.79Å; Y26-F181 HydrophobicContact CE1-CD2 4.09Å
27	E	97	Very high	97.7	Very high	101 Å²	101	78.8 Å²	78.8	47%	0.472	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-38.5	172.9	-60.7	-144.8	-113.6	0	0	111	D25 K76 K79	D25-E27 PolarHBondContact O-N 3.12Å; D25-E27 PolarHBondContact OD1-N 3.09Å; D25-E27 VanDerWaalsContact OD1-N 3.15Å; E27-K76 VanDerWaalsContact CD-CD 3.5Å; E27-K76 VanDerWaalsContact CD-NZ 3.32Å; E27-K76 HydrophobicContact CG-CD 4.22Å; E27-K76 HydrophobicContact CG-CG 4.14Å; E27-K76 WeakPolarHBondContact OE1-CE 3.28Å; E27-K76 IonicContact OE1-NZ 3.01Å; E27-K76 PolarHBondContact OE1-NZ 2.94Å; E27-K76 WeakPolarHBondContact OE2-CD 3.42Å; E27-K76 WeakPolarHBondContact OE2-CG 3.46Å; E27-K76 IonicContact OE2-NZ 3.99Å; E27-K79 PolarHBondContact O-NZ 2.61Å
28	S	97.1	Very high	97.7	Very high	78 Å²	78	77.5 Å²	77.5	55%	0.545	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-36	172.7	-72.2	0	0	0	0	113.6	D25 V30	D25-S28 PolarHBondContact O-N 3.39Å; D25-S28 PolarHBondContact OD1-N 3.35Å; D25-S28 PolarHBondContact OD2-OG 2.68Å; S28-V30 PolarHBondContact O-N 2.73Å
29	H	97.7	Very high	97.7	Very high	27 Å²	27	71.1 Å²	71.1	13%	0.125	35%	0.353	C	S	.	.			trans	-43.3	126.1	-177.1	165.2	68.7	0	0	0	114.5	D25 V31 K79 I82 E86	D25-H29 PolarHBondContact O-N 3.31Å; H29-V31 WeakPolarHBondContact NE2-CG2 3.38Å; H29-K79 VanDerWaalsContact O-CD 3.3Å; H29-K79 WeakPolarHBondContact O-CD 3.44Å; H29-K79 WeakPolarHBondContact O-CE 3.48Å; H29-K79 PolarHBondContact O-NZ 3.49Å; H29-I82 WeakPolarHBondContact NE2-CG2 3.38Å; H29-E86 IonicContact CE1-OE1 2.88Å; H29-E86 PolarHBondContact CE1-OE1 2.88Å; H29-E86 IonicContact CE1-OE2 3.17Å; H29-E86 PolarHBondContact CE1-OE2 3.35Å; H29-E86 VanDerWaalsContact CE1-OE2 3.31Å; H29-E86 IonicContact ND1-OE2 2.65Å; H29-E86 IonicContact NE2-OE1 3.69Å
30	V	97.4	Very high	97.7	Very high	124 Å²	124	72.5 Å²	72.5	75%	0.752	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-92.7	122.8	177.7	179.2	0	0	0	0	108.9	S28	S28-V30 PolarHBondContact O-N 2.73Å
31	V	96.9	Very high	97.7	Very high	17 Å²	17	71.7 Å²	71.7	10%	0.103	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-94.3	120.1	177.5	-179.4	0	0	0	0	108.7	H29 W33 K79 I82 I100	H29-V31 WeakPolarHBondContact NE2-CG2 3.38Å; V31-W33 HydrophobicContact CB-CZ2 3.8Å; V31-W33 HydrophobicContact CG1-CD2 3.8Å; V31-W33 HydrophobicContact CG1-CE3 4.29Å; V31-W33 HydrophobicContact CG1-CG 4.34Å; V31-W33 HydrophobicContact CG1-CH2 3.99Å; V31-W33 HydrophobicContact CG1-CZ2 3.43Å; V31-W33 VanDerWaalsContact CG1-CZ2 3.43Å; V31-W33 HydrophobicContact CG1-CZ3 4.37Å; V31-W33 HydrophobicContact CG2-CZ2 4.26Å; V31-W33 PolarHBondContact O-NE1 3.49Å; V31-K79 HydrophobicContact CG2-CG 4.28Å; V31-I82 HydrophobicContact CB-CD1 4.48Å; V31-I82 HydrophobicContact CG1-CD1 3.84Å; V31-I82 HydrophobicContact CG2-CD1 3.75Å; V31-I82 HydrophobicContact CG2-CG2 4.33Å; V31-I100 HydrophobicContact CG1-CB 4.5Å; V31-I100 HydrophobicContact CG1-CD1 4.42Å; V31-I100 HydrophobicContact CG1-CG2 3.6Å
32	E	96.6	Very high	97.7	Very high	174 Å²	174	68.8 Å²	68.8	81%	0.813	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-76.2	141.4	163.2	-61.9	-175.2	172.1	0	0	109.1
33	W	97.6	Very high	97.7	Very high	86 Å²	86	69.1 Å²	69.1	33%	0.326	35%	0.348	S	S	.	.			trans	-123.7	112.6	-172.3	-62.6	87.5	0	0	0	111	V31 I78 I82 I100 K102 P109	V31-W33 HydrophobicContact CB-CZ2 3.8Å; V31-W33 HydrophobicContact CG1-CD2 3.8Å; V31-W33 HydrophobicContact CG1-CE3 4.29Å; V31-W33 HydrophobicContact CG1-CG 4.34Å; V31-W33 HydrophobicContact CG1-CH2 3.99Å; V31-W33 HydrophobicContact CG1-CZ2 3.43Å; V31-W33 VanDerWaalsContact CG1-CZ2 3.43Å; V31-W33 HydrophobicContact CG1-CZ3 4.37Å; V31-W33 HydrophobicContact CG2-CZ2 4.26Å; V31-W33 PolarHBondContact O-NE1 3.49Å; W33-I78 HydrophobicContact CH2-CG2 4.13Å; W33-I82 HydrophobicContact CH2-CD1 4.08Å; W33-I100 CarbonylContact C-O 3.56Å; W33-I100 WeakPolarHBondContact CA-O 3.36Å; W33-I100 HydrophobicContact CD2-CG2 4.34Å; W33-I100 HydrophobicContact CE3-CG2 3.66Å; W33-I100 HydrophobicContact CH2-CG2 4.1Å; W33-I100 HydrophobicContact CZ3-CG2 3.52Å; W33-K102 HydrophobicContact CB-CD 4.3Å; W33-K102 HydrophobicContact CD2-CD 3.8Å; W33-K102 HydrophobicContact CD2-CG 4.11Å; W33-K102 VanDerWaalsContact CE2-CE 3.49Å; W33-K102 HydrophobicContact CE3-CD 3.86Å; W33-K102 HydrophobicContact CE3-CG 3.64Å; W33-K102 HydrophobicContact CG-CD 3.97Å; W33-K102 VanDerWaalsContact CG-NZ 3.31Å; W33-K102 HydrophobicContact CZ3-CG 4.15Å; W33-P109 HydrophobicContact CE3-CB 4.34Å; W33-P109 HydrophobicContact CH2-CB 3.61Å; W33-P109 HydrophobicContact CZ3-CB 3.35Å
34	G	97.7	Very high	97.6	Very high	29 Å²	29	72.6 Å²	72.6	30%	0.299	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	173.9	169.7	0	0	0	0	0	113	I100 V101 K102	G34-I100 PolarHBondContact N-O 3.36Å; G34-V101 WeakPolarHBondContact O-CA 3.25Å; G34-K102 PolarHBondContact O-N 2.96Å; G34-K102 VanDerWaalsContact O-N 3.08Å
35	N	97.4	Very high	97.4	Very high	57 Å²	57	72.6 Å²	72.6	31%	0.305	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	134.9	178.2	-168.4	18.7	0	0	0	110.8	D37	N35-D37 VanDerWaalsContact C-N 3.31Å; N35-D37 WeakPolarHBondContact ND2-CB 3.45Å; N35-D37 PolarHBondContact ND2-OD2 2.77Å; N35-D37 PolarHBondContact OD1-N 3.03Å; N35-D37 PolarHBondContact OD1-OD2 3.15Å
36	Q	97.5	Very high	97	Very high	20 Å²	20	73.1 Å²	73.1	9%	0.093	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-76.5	-20.5	176.4	-165.5	-175.4	-94.1	0	0	112.3	D38 Y39 V101 K102 D103	Q36-D38 PolarHBondContact O-N 3.15Å; Q36-D38 VanDerWaalsContact O-N 3.17Å; Q36-Y39 PolarHBondContact O-N 2.79Å; Q36-V101 HydrophobicContact CB-CB 4.18Å; Q36-V101 HydrophobicContact CB-CG2 3.86Å; Q36-V101 HydrophobicContact CG-CG2 3.85Å; Q36-K102 WeakPolarHBondContact CB-O 3.47Å; Q36-K102 PolarHBondContact N-O 3.07Å; Q36-K102 VanDerWaalsContact N-O 3.15Å; Q36-D103 PolarHBondContact NE2-OD2 2.69Å; Q36-D103 VanDerWaalsContact NE2-OD2 3.16Å
37	D	97.5	Very high	96.7	Very high	93 Å²	93	81.4 Å²	81.4	50%	0.497	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-64.5	-18.7	178	-49.6	-29.5	0	0	0	112.7	N35 Y39 P104	N35-D37 VanDerWaalsContact C-N 3.31Å; N35-D37 WeakPolarHBondContact ND2-CB 3.45Å; N35-D37 PolarHBondContact ND2-OD2 2.77Å; N35-D37 PolarHBondContact OD1-N 3.03Å; N35-D37 PolarHBondContact OD1-OD2 3.15Å; D37-Y39 PolarHBondContact O-N 3.06Å; D37-Y39 VanDerWaalsContact O-N 3.12Å; D37-P104 WeakPolarHBondContact OD1-CD 3.49Å; D37-P104 WeakPolarHBondContact OD1-CG 3.43Å; D37-P104 WeakPolarHBondContact OD2-CG 3.48Å
38	D	98	Very high	96.3	Very high	58 Å²	58	78 Å²	78	31%	0.31	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-67.1	-6.8	174	-56.1	-27.6	0	0	0	112.1	Q36 N58 I59	Q36-D38 PolarHBondContact O-N 3.15Å; Q36-D38 VanDerWaalsContact O-N 3.17Å; D38-N58 WeakPolarHBondContact O-CA 3.37Å; D38-I59 PolarHBondContact O-N 2.98Å
39	Y	98.6	Very high	95.8	Very high	23 Å²	23	82.3 Å²	82.3	9%	0.09	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	103.7	-174.6	-59.7	-82.5	0	0	0	113	Q36 D37 L41 I57 N58 V65 D99 V101 V112	Q36-Y39 PolarHBondContact O-N 2.79Å; D37-Y39 PolarHBondContact O-N 3.06Å; D37-Y39 VanDerWaalsContact O-N 3.12Å; Y39-L41 PolarHBondContact O-N 3.26Å; Y39-I57 CarbonylContact C-O 3.37Å; Y39-I57 WeakPolarHBondContact CA-O 3.44Å; Y39-N58 HydrophobicContact CD1-CB 3.88Å; Y39-N58 HydrophobicContact CE1-CB 3.7Å; Y39-V65 HydrophobicContact CD1-CG2 3.71Å; Y39-V65 HydrophobicContact CE1-CG2 4.1Å; Y39-D99 WeakPolarHBondContact CE2-OD2 3.48Å; Y39-D99 VanDerWaalsContact OH-CB 3.27Å; Y39-D99 WeakPolarHBondContact OH-CB 3.38Å; Y39-D99 PolarHBondContact OH-OD2 3.38Å; Y39-V101 HydrophobicContact CD2-CG1 4.11Å; Y39-V101 HydrophobicContact CE2-CG1 3.66Å; Y39-V112 HydrophobicContact CD1-CG1 4.11Å; Y39-V112 HydrophobicContact CD2-CG2 4.31Å; Y39-V112 HydrophobicContact CE1-CG1 3.67Å; Y39-V112 HydrophobicContact CE1-CG2 4.34Å; Y39-V112 HydrophobicContact CE2-CG2 4.08Å
40	Q	98	Very high	95.5	Very high	133 Å²	133	85 Å²	85	62%	0.621	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	112.3	176.1	-171.2	178.2	15	0	0	110.9	V42 A56 I57 I59	Q40-V42 PolarHBondContact O-N 2.91Å; Q40-A56 CarbonylContact O-C 3.54Å; Q40-A56 WeakPolarHBondContact O-CA 3.47Å; Q40-A56 VanDerWaalsContact O-CB 3.32Å; Q40-A56 WeakPolarHBondContact O-CB 3.48Å; Q40-I57 PolarHBondContact N-O 3.43Å; Q40-I57 PolarHBondContact O-N 3.31Å; Q40-I59 HydrophobicContact CB-CG2 4.02Å
41	L	97.9	Very high	95.4	Very high	69 Å²	69	79.4 Å²	79.4	36%	0.361	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	124.8	175.6	-53.1	-175.1	0	0	0	110.9	Y39 F54 A56 V67 I69	Y39-L41 PolarHBondContact O-N 3.26Å; L41-F54 HydrophobicContact CD1-CD1 4.34Å; L41-F54 HydrophobicContact CD1-CD2 4.5Å; L41-F54 HydrophobicContact CD1-CG 4.3Å; L41-F54 HydrophobicContact CD2-CB 4.13Å; L41-A56 HydrophobicContact CD2-CB 3.92Å; L41-V67 HydrophobicContact CD2-CB 3.96Å; L41-V67 HydrophobicContact CD2-CG1 4.15Å; L41-V67 HydrophobicContact CD2-CG2 4.03Å; L41-I69 HydrophobicContact CD1-CD1 4.16Å
42	V	97.6	Very high	95.4	Very high	84 Å²	84	80.5 Å²	80.5	51%	0.509	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-53.4	-178.8	-179.6	0	0	0	0	111.5	Q40 E55 I57	Q40-V42 PolarHBondContact O-N 2.91Å; V42-E55 PolarHBondContact N-O 2.74Å; V42-I57 HydrophobicContact CG2-CD1 4.41Å; V42-I57 HydrophobicContact CG2-CG1 3.79Å
43	R	97.4	Very high	95.5	Very high	138 Å²	138	73.9 Å²	73.9	52%	0.521	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	152.8	-177.2	62.2	173.6	-175.5	121.8	5.2	112.3	L45 F54 E55	R43-L45 VanDerWaalsContact CZ-CD2 3.47Å; R43-F54 CarbonylContact O-C 3.49Å; R43-F54 VanDerWaalsContact O-CA 3.22Å; R43-F54 WeakPolarHBondContact O-CA 3.41Å; R43-F54 WeakPolarHBondContact O-CB 3.34Å; R43-E55 HydrophobicContact CG-CB 3.9Å; R43-E55 IonicContact CZ-OE2 2.71Å; R43-E55 PolarHBondContact N-O 2.83Å; R43-E55 IonicContact NE-OE2 3.77Å; R43-E55 PolarHBondContact NE-OE2 2.96Å; R43-E55 IonicContact NH2-OE2 3.76Å; R43-E55 PolarHBondContact NH2-OE2 3.17Å; R43-E55 PolarHBondContact O-N 3.44Å
44	K	96.8	Very high	95.5	Very high	99 Å²	99	71.3 Å²	71.3	43%	0.43	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	125.3	175	-164.8	163.3	-176.4	163.4	0	110.4	E52 F54	K44-E52 IonicContact NZ-OE1 2.85Å; K44-E52 PolarHBondContact NZ-OE1 3.36Å; K44-E52 IonicContact NZ-OE2 2.66Å; K44-E52 PolarHBondContact NZ-OE2 3.26Å; K44-F54 HydrophobicContact CB-CD1 3.84Å; K44-F54 HydrophobicContact CB-CE1 3.77Å; K44-F54 HydrophobicContact CD-CE1 3.86Å; K44-F54 HydrophobicContact CD-CZ 4.02Å; K44-F54 HydrophobicContact CG-CD1 4.06Å; K44-F54 HydrophobicContact CG-CE1 3.76Å; K44-F54 HydrophobicContact CG-CZ 4.16Å
45	L	93.7	Very high	95.5	Very high	76 Å²	76	70.3 Å²	70.3	40%	0.398	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-34.2	176	-62.3	176.5	0	0	0	111.7	R43 V53 E55 V66	R43-L45 VanDerWaalsContact CZ-CD2 3.47Å; L45-V53 HydrophobicContact CB-CG1 4.28Å; L45-V53 HydrophobicContact CD1-CG1 4.36Å; L45-V53 PolarHBondContact N-O 3.48Å; L45-E55 HydrophobicContact CD1-CB 4.12Å; L45-E55 HydrophobicContact CD2-CB 4.17Å; L45-E55 HydrophobicContact CG-CB 4.17Å; L45-V66 HydrophobicContact CD1-CG1 4.2Å; L45-V66 HydrophobicContact CD1-CG2 4.02Å
46	G	91.4	Very high	95.6	Very high	28 Å²	28	67.6 Å²	67.6	29%	0.289	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.2	175.7	-177.3	0	0	0	0	0	115.7	V53	G46-V53 PolarHBondContact N-O 3.39Å; G46-V53 VanDerWaalsContact N-O 3.1Å; G46-V53 PolarHBondContact O-N 3.43Å
47	R	91.8	Very high	95.6	Very high	195 Å²	195	68.4 Å²	68.4	74%	0.736	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.6	102.5	179.2	175.6	174.2	170.9	147.2	-8	109.8	E52	R47-E52 VanDerWaalsContact CD-OE1 3.24Å; R47-E52 WeakPolarHBondContact CD-OE1 3.49Å; R47-E52 VanDerWaalsContact CG-OE1 3.27Å; R47-E52 WeakPolarHBondContact CG-OE1 3.37Å; R47-E52 IonicContact NE-OE1 3.41Å; R47-E52 IonicContact NH1-OE1 3.76Å
48	G	87.8	Confident	95.6	Very high	31 Å²	31	64.8 Å²	64.8	32%	0.32	31%	0.311	S	S	.	.			trans	-82	175.3	173.3	0	0	0	0	0	112.9	Y50 S51 K71	G48-Y50 VanDerWaalsContact C-N 3.33Å; G48-S51 CarbonylContact C-O 3.51Å; G48-S51 PolarHBondContact N-O 2.71Å; G48-S51 VanDerWaalsContact O-O 3.07Å; G48-K71 PolarHBondContact O-NZ 2.85Å
49	K	87.2	Confident	95.6	Very high	167 Å²	167	66.3 Å²	66.3	73%	0.726	32%	0.318	S	S	*	.	S	Bend	trans	-63.6	-39.7	170.9	-176.1	177.7	177.7	-168.3	0	111.8
50	Y	91.4	Very high	95.5	Very high	85 Å²	85	70 Å²	70	33%	0.333	34%	0.344	S	S	.	.	S	Bend	trans	-110	-1.6	-173.9	-57.8	-67.6	0	0	0	114.4	G48 K71 V73	G48-Y50 VanDerWaalsContact C-N 3.33Å; Y50-K71 WeakPolarHBondContact O-CB 3.28Å; Y50-K71 PolarHBondContact O-N 2.71Å; Y50-V73 HydrophobicContact CD1-CG1 3.76Å
51	S	95	Very high	95.5	Very high	5 Å²	5	67.1 Å²	67.1	4%	0.035	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	168.6	-175.5	58.5	0	0	0	0	112.9	G48 I69 K71	G48-S51 CarbonylContact C-O 3.51Å; G48-S51 PolarHBondContact N-O 2.71Å; G48-S51 VanDerWaalsContact O-O 3.07Å; S51-I69 CarbonylContact C-O 3.59Å; S51-I69 WeakPolarHBondContact CA-O 3.29Å; S51-I69 WeakPolarHBondContact CB-O 3.47Å; S51-K71 WeakPolarHBondContact O-CE 3.14Å; S51-K71 PolarHBondContact O-NZ 3.05Å
52	E	97	Very high	95.4	Very high	41 Å²	41	70 Å²	70	19%	0.192	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.8	156.7	-53.1	-144.5	115.6	0	0	108.5	K44 R47 F54 K68 I69 K71	K44-E52 IonicContact NZ-OE1 2.85Å; K44-E52 PolarHBondContact NZ-OE1 3.36Å; K44-E52 IonicContact NZ-OE2 2.66Å; K44-E52 PolarHBondContact NZ-OE2 3.26Å; R47-E52 VanDerWaalsContact CD-OE1 3.24Å; R47-E52 WeakPolarHBondContact CD-OE1 3.49Å; R47-E52 VanDerWaalsContact CG-OE1 3.27Å; R47-E52 WeakPolarHBondContact CG-OE1 3.37Å; R47-E52 IonicContact NE-OE1 3.41Å; R47-E52 IonicContact NH1-OE1 3.76Å; E52-F54 HydrophobicContact CB-CE2 3.72Å; E52-F54 HydrophobicContact CB-CZ 4.25Å; E52-K68 CarbonylContact O-C 3.54Å; E52-K68 WeakPolarHBondContact O-CA 3.43Å; E52-I69 PolarHBondContact N-O 2.92Å; E52-I69 PolarHBondContact O-N 3.4Å; E52-K71 VanDerWaalsContact CG-CE 3.41Å; E52-K71 IonicContact OE1-NZ 3.54Å
53	V	97.5	Very high	95.5	Very high	35 Å²	35	71.5 Å²	71.5	21%	0.212	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133.6	-168.7	-172.8	0	0	0	0	110	L45 G46 V66 V67 K68	L45-V53 HydrophobicContact CB-CG1 4.28Å; L45-V53 HydrophobicContact CD1-CG1 4.36Å; L45-V53 PolarHBondContact N-O 3.48Å; G46-V53 PolarHBondContact N-O 3.39Å; G46-V53 VanDerWaalsContact N-O 3.1Å; G46-V53 PolarHBondContact O-N 3.43Å; V53-V66 HydrophobicContact CG1-CG1 3.5Å; V53-V67 WeakPolarHBondContact CA-O 3.28Å; V53-K68 HydrophobicContact CG2-CG 4.27Å
54	F	98.2	Very high	95.5	Very high	31 Å²	31	70 Å²	70	14%	0.136	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	148.8	-174.1	-59.6	-98.4	0	0	0	111.2	L41 R43 K44 E52 V66 V67 I69	L41-F54 HydrophobicContact CD1-CD1 4.34Å; L41-F54 HydrophobicContact CD1-CD2 4.5Å; L41-F54 HydrophobicContact CD1-CG 4.3Å; L41-F54 HydrophobicContact CD2-CB 4.13Å; R43-F54 CarbonylContact O-C 3.49Å; R43-F54 VanDerWaalsContact O-CA 3.22Å; R43-F54 WeakPolarHBondContact O-CA 3.41Å; R43-F54 WeakPolarHBondContact O-CB 3.34Å; K44-F54 HydrophobicContact CB-CD1 3.84Å; K44-F54 HydrophobicContact CB-CE1 3.77Å; K44-F54 HydrophobicContact CD-CE1 3.86Å; K44-F54 HydrophobicContact CD-CZ 4.02Å; K44-F54 HydrophobicContact CG-CD1 4.06Å; K44-F54 HydrophobicContact CG-CE1 3.76Å; K44-F54 HydrophobicContact CG-CZ 4.16Å; E52-F54 HydrophobicContact CB-CE2 3.72Å; E52-F54 HydrophobicContact CB-CZ 4.25Å; F54-V66 CarbonylContact O-C 3.58Å; F54-V66 WeakPolarHBondContact O-CA 3.2Å; F54-V67 PolarHBondContact N-O 3.03Å; F54-V67 PolarHBondContact O-N 3.42Å; F54-I69 HydrophobicContact CD2-CD1 4.02Å; F54-I69 HydrophobicContact CD2-CG1 4.19Å; F54-I69 HydrophobicContact CE2-CD1 3.67Å; F54-I69 HydrophobicContact CE2-CG1 4.11Å; F54-I69 HydrophobicContact CZ-CD1 4.47Å
55	E	98.1	Very high	95.6	Very high	9 Å²	9	65.7 Å²	65.7	4%	0.042	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	136.3	159.1	-179.3	-179.4	148.8	0	0	107.6	V42 R43 L45 K64	V42-E55 PolarHBondContact N-O 2.74Å; R43-E55 HydrophobicContact CG-CB 3.9Å; R43-E55 IonicContact CZ-OE2 2.71Å; R43-E55 PolarHBondContact N-O 2.83Å; R43-E55 IonicContact NE-OE2 3.77Å; R43-E55 PolarHBondContact NE-OE2 2.96Å; R43-E55 IonicContact NH2-OE2 3.76Å; R43-E55 PolarHBondContact NH2-OE2 3.17Å; R43-E55 PolarHBondContact O-N 3.44Å; L45-E55 HydrophobicContact CD1-CB 4.12Å; L45-E55 HydrophobicContact CD2-CB 4.17Å; L45-E55 HydrophobicContact CG-CB 4.17Å; E55-K64 IonicContact OE1-NZ 2.69Å; E55-K64 PolarHBondContact OE1-NZ 2.8Å
56	A	98.6	Very high	95.8	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	164.7	179.4	0	0	0	0	0	111.2	Q40 L41 V65 V67	Q40-A56 CarbonylContact O-C 3.54Å; Q40-A56 WeakPolarHBondContact O-CA 3.47Å; Q40-A56 VanDerWaalsContact O-CB 3.32Å; Q40-A56 WeakPolarHBondContact O-CB 3.48Å; L41-A56 HydrophobicContact CD2-CB 3.92Å; A56-V65 HydrophobicContact CB-CG2 4Å; A56-V65 PolarHBondContact N-O 2.98Å; A56-V65 PolarHBondContact O-N 3.1Å; A56-V67 HydrophobicContact CB-CG2 3.62Å
57	I	98.5	Very high	96.1	Very high	37 Å²	37	61.9 Å²	61.9	19%	0.19	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.2	168.7	-54.9	-59.2	0	0	0	108.6	Y39 Q40 V42 I59 N62 E63 K64	Y39-I57 CarbonylContact C-O 3.37Å; Y39-I57 WeakPolarHBondContact CA-O 3.44Å; Q40-I57 PolarHBondContact N-O 3.43Å; Q40-I57 PolarHBondContact O-N 3.31Å; V42-I57 HydrophobicContact CG2-CD1 4.41Å; V42-I57 HydrophobicContact CG2-CG1 3.79Å; I57-I59 PolarHBondContact O-N 2.89Å; I57-N62 HydrophobicContact CG2-CB 4.5Å; I57-E63 WeakPolarHBondContact CA-O 3.45Å; I57-K64 HydrophobicContact CD1-CG 3.74Å
58	N	98.3	Very high	96.4	Very high	16 Å²	16	53.3 Å²	53.3	9%	0.086	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	115.7	164.5	176.9	-9.3	0	0	0	108.6	D38 Y39 T60 N61 N62 E63	D38-N58 WeakPolarHBondContact O-CA 3.37Å; Y39-N58 HydrophobicContact CD1-CB 3.88Å; Y39-N58 HydrophobicContact CE1-CB 3.7Å; N58-T60 PolarHBondContact ND2-OG1 3.37Å; N58-T60 PolarHBondContact O-N 2.9Å; N58-T60 WeakPolarHBondContact OD1-CB 3.14Å; N58-T60 PolarHBondContact OD1-N 3.11Å; N58-T60 PolarHBondContact OD1-OG1 3.21Å; N58-N61 WeakPolarHBondContact CB-OD1 3.43Å; N58-N61 VanDerWaalsContact CG-OD1 3.29Å; N58-N61 PolarHBondContact ND2-OD1 2.89Å; N58-N61 PolarHBondContact O-N 3Å; N58-N62 VanDerWaalsContact O-CA 3.26Å; N58-N62 WeakPolarHBondContact O-CA 3.01Å; N58-N62 PolarHBondContact O-N 3.47Å; N58-E63 PolarHBondContact N-O 2.92Å
59	I	97.4	Very high	96.9	Very high	90 Å²	90	53.6 Å²	53.6	46%	0.462	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-16.1	-173	74.1	-179.1	0	0	0	112.9	D38 Q40 I57	D38-I59 PolarHBondContact O-N 2.98Å; Q40-I59 HydrophobicContact CB-CG2 4.02Å; I57-I59 PolarHBondContact O-N 2.89Å
60	T	96.7	Very high	97.4	Very high	102 Å²	102	46 Å²	46	63%	0.626	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-27.1	-178.1	69	0	0	0	0	113	N58	N58-T60 PolarHBondContact ND2-OG1 3.37Å; N58-T60 PolarHBondContact O-N 2.9Å; N58-T60 WeakPolarHBondContact OD1-CB 3.14Å; N58-T60 PolarHBondContact OD1-N 3.11Å; N58-T60 PolarHBondContact OD1-OG1 3.21Å
61	N	97.4	Very high	97.5	Very high	71 Å²	71	44.4 Å²	44.4	38%	0.38	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.8	-1.4	-174.9	70.5	1.8	0	0	0	114.8	N58 E63	N58-N61 WeakPolarHBondContact CB-OD1 3.43Å; N58-N61 VanDerWaalsContact CG-OD1 3.29Å; N58-N61 PolarHBondContact ND2-OD1 2.89Å; N58-N61 PolarHBondContact O-N 3Å; N61-E63 WeakPolarHBondContact ND2-CG 3.49Å; N61-E63 PolarHBondContact ND2-OE2 3.17Å; N61-E63 PolarHBondContact O-N 3.04Å; N61-E63 WeakPolarHBondContact OD1-CB 3.45Å; N61-E63 PolarHBondContact OD1-N 2.82Å
62	N	96.8	Very high	97.5	Very high	129 Å²	129	50.8 Å²	50.8	69%	0.69	27%	0.269	S	S	*	.			trans	62.4	16.6	-175.2	-61.4	-79.3	0	0	0	115.9	I57 N58	I57-N62 HydrophobicContact CG2-CB 4.5Å; N58-N62 VanDerWaalsContact O-CA 3.26Å; N58-N62 WeakPolarHBondContact O-CA 3.01Å; N58-N62 PolarHBondContact O-N 3.47Å
63	E	97.6	Very high	97.3	Very high	116 Å²	116	50.8 Å²	50.8	54%	0.542	27%	0.271	S	S	.	.			trans	-71.5	140.8	175.4	-70.6	-177.8	147.1	0	0	112	I57 N58 N61	I57-E63 WeakPolarHBondContact CA-O 3.45Å; N58-E63 PolarHBondContact N-O 2.92Å; N61-E63 WeakPolarHBondContact ND2-CG 3.49Å; N61-E63 PolarHBondContact ND2-OE2 3.17Å; N61-E63 PolarHBondContact O-N 3.04Å; N61-E63 WeakPolarHBondContact OD1-CB 3.45Å; N61-E63 PolarHBondContact OD1-N 2.82Å
64	K	97.9	Very high	97.1	Very high	108 Å²	108	57.5 Å²	57.5	47%	0.47	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	133.3	167.5	-72.2	-164.9	171.4	-147.8	0	110.1	E55 I57 H115	E55-K64 IonicContact OE1-NZ 2.69Å; E55-K64 PolarHBondContact OE1-NZ 2.8Å; I57-K64 HydrophobicContact CD1-CG 3.74Å; K64-H115 HydrophobicContact CB-CB 3.8Å; K64-H115 WeakPolarHBondContact O-CB 3.45Å
65	V	98.6	Very high	96.9	Very high	8 Å²	8	64.6 Å²	64.6	5%	0.048	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	166.8	176.2	-60.5	0	0	0	0	111.2	Y39 A56 V67 V112 F113	Y39-V65 HydrophobicContact CD1-CG2 3.71Å; Y39-V65 HydrophobicContact CE1-CG2 4.1Å; A56-V65 HydrophobicContact CB-CG2 4Å; A56-V65 PolarHBondContact N-O 2.98Å; A56-V65 PolarHBondContact O-N 3.1Å; V65-V67 HydrophobicContact CG2-CG2 4.29Å; V65-V112 HydrophobicContact CB-CG1 3.72Å; V65-V112 HydrophobicContact CG1-CG1 4.1Å; V65-V112 HydrophobicContact CG2-CG1 3.71Å; V65-F113 WeakPolarHBondContact CA-O 3.45Å; V65-F113 WeakPolarHBondContact CB-O 3.33Å
66	V	98.5	Very high	96.8	Very high	24 Å²	24	68.3 Å²	68.3	15%	0.145	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	119.7	172.8	173.6	0	0	0	0	109.9	L45 V53 F54 F113	L45-V66 HydrophobicContact CD1-CG1 4.2Å; L45-V66 HydrophobicContact CD1-CG2 4.02Å; V53-V66 HydrophobicContact CG1-CG1 3.5Å; F54-V66 CarbonylContact O-C 3.58Å; F54-V66 WeakPolarHBondContact O-CA 3.2Å; V66-F113 HydrophobicContact CB-CB 4.41Å; V66-F113 PolarHBondContact N-O 3.33Å; V66-F113 PolarHBondContact O-N 2.88Å
67	V	98.5	Very high	96.7	Very high	0 Å²	0	70 Å²	70	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118.6	-179.8	-178.9	0	0	0	0	110	L41 V53 F54 A56 V65 I69 A110 V112	L41-V67 HydrophobicContact CD2-CB 3.96Å; L41-V67 HydrophobicContact CD2-CG1 4.15Å; L41-V67 HydrophobicContact CD2-CG2 4.03Å; V53-V67 WeakPolarHBondContact CA-O 3.28Å; F54-V67 PolarHBondContact N-O 3.03Å; F54-V67 PolarHBondContact O-N 3.42Å; A56-V67 HydrophobicContact CB-CG2 3.62Å; V65-V67 HydrophobicContact CG2-CG2 4.29Å; V67-I69 HydrophobicContact CG1-CG1 4.05Å; V67-A110 HydrophobicContact CG1-CB 3.89Å; V67-V112 HydrophobicContact CG2-CG2 4.42Å
68	K	98.3	Very high	96.6	Very high	15 Å²	15	69.2 Å²	69.2	7%	0.065	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	92.2	175.4	-174.7	-174.1	-171.6	-179.9	0	109.3	E52 V53 L70 E81 A110 L111 F113 D175	E52-K68 CarbonylContact O-C 3.54Å; E52-K68 WeakPolarHBondContact O-CA 3.43Å; V53-K68 HydrophobicContact CG2-CG 4.27Å; K68-L70 HydrophobicContact CD-CD2 4.18Å; K68-L70 HydrophobicContact CG-CD2 4.11Å; K68-L70 PolarHBondContact O-N 3.04Å; K68-E81 IonicContact NZ-OE1 3.12Å; K68-E81 PolarHBondContact NZ-OE1 2.67Å; K68-A110 WeakPolarHBondContact O-CA 3.13Å; K68-L111 HydrophobicContact CB-CB 4.43Å; K68-L111 PolarHBondContact N-O 3.4Å; K68-L111 PolarHBondContact O-N 3.14Å; K68-F113 HydrophobicContact CB-CD2 4.34Å; K68-F113 HydrophobicContact CB-CE2 3.8Å; K68-F113 HydrophobicContact CD-CE2 3.96Å; K68-F113 HydrophobicContact CD-CZ 4.43Å; K68-D175 IonicContact NZ-OD1 2.7Å; K68-D175 PolarHBondContact NZ-OD1 2.89Å
69	I	98.1	Very high	96.6	Very high	37 Å²	37	71.1 Å²	71.1	19%	0.19	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	123.2	174.6	-53.7	-175.8	0	0	0	108.4	L41 S51 E52 F54 V67 T108 A110	L41-I69 HydrophobicContact CD1-CD1 4.16Å; S51-I69 CarbonylContact C-O 3.59Å; S51-I69 WeakPolarHBondContact CA-O 3.29Å; S51-I69 WeakPolarHBondContact CB-O 3.47Å; E52-I69 PolarHBondContact N-O 2.92Å; E52-I69 PolarHBondContact O-N 3.4Å; F54-I69 HydrophobicContact CD2-CD1 4.02Å; F54-I69 HydrophobicContact CD2-CG1 4.19Å; F54-I69 HydrophobicContact CE2-CD1 3.67Å; F54-I69 HydrophobicContact CE2-CG1 4.11Å; F54-I69 HydrophobicContact CZ-CD1 4.47Å; V67-I69 HydrophobicContact CG1-CG1 4.05Å; I69-T108 HydrophobicContact CG2-CG2 3.63Å; I69-A110 HydrophobicContact CB-CB 4.47Å; I69-A110 HydrophobicContact CG1-CB 4.19Å
70	L	96.9	Very high	96.6	Very high	7 Å²	7	68.1 Å²	68.1	4%	0.037	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	127.8	-176.8	-55.7	179.8	0	0	0	110.5	K68 I78 P109 L111	K68-L70 HydrophobicContact CD-CD2 4.18Å; K68-L70 HydrophobicContact CG-CD2 4.11Å; K68-L70 PolarHBondContact O-N 3.04Å; L70-I78 HydrophobicContact CD1-CB 4.44Å; L70-I78 HydrophobicContact CD1-CD1 4.35Å; L70-I78 HydrophobicContact CD1-CG1 4.17Å; L70-I78 HydrophobicContact CD1-CG2 3.68Å; L70-P109 HydrophobicContact CB-CG 4.32Å; L70-P109 WeakPolarHBondContact CB-O 3.49Å; L70-P109 HydrophobicContact CD1-CG 4.49Å; L70-P109 PolarHBondContact N-O 2.96Å; L70-L111 HydrophobicContact CD1-CD1 4.34Å; L70-L111 HydrophobicContact CD1-CG 4.14Å; L70-L111 HydrophobicContact CD2-CD1 4.41Å; L70-L111 HydrophobicContact CD2-CG 4.5Å; L70-L111 HydrophobicContact CG-CG 4.47Å
71	K	94.6	Very high	96.7	Very high	52 Å²	52	63.6 Å²	63.6	23%	0.226	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-71.2	159.4	174.2	-70.3	170.2	173.5	148	0	110.3	G48 Y50 S51 E52 V73	G48-K71 PolarHBondContact O-NZ 2.85Å; Y50-K71 WeakPolarHBondContact O-CB 3.28Å; Y50-K71 PolarHBondContact O-N 2.71Å; S51-K71 WeakPolarHBondContact O-CE 3.14Å; S51-K71 PolarHBondContact O-NZ 3.05Å; E52-K71 VanDerWaalsContact CG-CE 3.41Å; E52-K71 IonicContact OE1-NZ 3.54Å; K71-V73 PolarHBondContact O-N 3.08Å
72	P	94.1	Very high	96.8	Very high	139 Å²	139	60.2 Å²	60.2	90%	0.903	29%	0.292	S	S	*	.	S	Bend	trans	-51.4	109.6	178.1	-29.9	36.8	0	0	0	113.3
73	V	92.6	Very high	96.9	Very high	41 Å²	41	55.4 Å²	55.4	25%	0.248	27%	0.265	C	S	.	.			trans	-140.2	163.8	177.4	-65.3	0	0	0	0	110.4	Y50 K71 K75 K77 I78	Y50-V73 HydrophobicContact CD1-CG1 3.76Å; K71-V73 PolarHBondContact O-N 3.08Å; V73-K75 PolarHBondContact O-N 3.07Å; V73-K77 HydrophobicContact CB-CD 4.38Å; V73-K77 HydrophobicContact CG2-CD 4.38Å; V73-I78 HydrophobicContact CG2-CD1 3.87Å; V73-I78 HydrophobicContact CG2-CG1 3.59Å
74	K	93.6	Very high	96.9	Very high	176 Å²	176	49.9 Å²	49.9	77%	0.765	24%	0.239	S	C	*	.			trans	-57	131.1	177.3	-66.1	-171.7	176.8	-172.3	0	110.8	K76 K77	K74-K76 PolarHBondContact O-N 3.36Å; K74-K76 VanDerWaalsContact O-N 3.07Å; K74-K77 WeakPolarHBondContact O-CB 3.33Å; K74-K77 PolarHBondContact O-N 3.38Å
75	K	94.2	Very high	97	Very high	179 Å²	179	44.8 Å²	44.8	78%	0.778	22%	0.217	S	C	*	.	H	α-helix	trans	-49.1	-37.9	178.4	-66.3	-177.9	-179.4	177	0	113.2	V73 K77 I78 K79	V73-K75 PolarHBondContact O-N 3.07Å; K75-K77 VanDerWaalsContact C-N 3.3Å; K75-K77 PolarHBondContact O-N 3.33Å; K75-I78 PolarHBondContact O-N 2.88Å; K75-K79 PolarHBondContact O-N 2.98Å
76	K	95.5	Very high	96.9	Very high	88 Å²	88	47.1 Å²	47.1	38%	0.383	23%	0.227	S	C	.	.	H	α-helix	trans	-48.6	-45.1	172.8	-178.8	175.2	-173.2	156.2	0	113.2	Y26 E27 K74 R80	Y26-K76 HydrophobicContact CD2-CG 4.41Å; Y26-K76 HydrophobicContact CE2-CD 4.25Å; Y26-K76 HydrophobicContact CE2-CG 3.62Å; Y26-K76 WeakPolarHBondContact OH-CE 3.18Å; E27-K76 VanDerWaalsContact CD-CD 3.5Å; E27-K76 VanDerWaalsContact CD-NZ 3.32Å; E27-K76 HydrophobicContact CG-CD 4.22Å; E27-K76 HydrophobicContact CG-CG 4.14Å; E27-K76 WeakPolarHBondContact OE1-CE 3.28Å; E27-K76 IonicContact OE1-NZ 3.01Å; E27-K76 PolarHBondContact OE1-NZ 2.94Å; E27-K76 WeakPolarHBondContact OE2-CD 3.42Å; E27-K76 WeakPolarHBondContact OE2-CG 3.46Å; E27-K76 IonicContact OE2-NZ 3.99Å; K74-K76 PolarHBondContact O-N 3.36Å; K74-K76 VanDerWaalsContact O-N 3.07Å; K76-R80 WeakPolarHBondContact O-CB 3.48Å; K76-R80 PolarHBondContact O-N 2.91Å; K76-R80 VanDerWaalsContact O-N 3.11Å
77	K	96	Very high	97	Very high	35 Å²	35	46.9 Å²	46.9	15%	0.152	23%	0.225	C	C	.	.	H	α-helix	trans	-67.8	-38.5	179.1	176.5	178.4	159.1	63.9	0	111.9	V73 K74 K75 R80 E81 G177	V73-K77 HydrophobicContact CB-CD 4.38Å; V73-K77 HydrophobicContact CG2-CD 4.38Å; K74-K77 WeakPolarHBondContact O-CB 3.33Å; K74-K77 PolarHBondContact O-N 3.38Å; K75-K77 VanDerWaalsContact C-N 3.3Å; K75-K77 PolarHBondContact O-N 3.33Å; K77-R80 PolarHBondContact O-N 3.1Å; K77-E81 PolarHBondContact O-N 2.94Å; K77-G177 VanDerWaalsContact NZ-C 3.32Å; K77-G177 PolarHBondContact NZ-O 3.42Å
78	I	96.8	Very high	97	Very high	20 Å²	20	46.9 Å²	46.9	10%	0.103	23%	0.225	C	C	.	.	H	α-helix	trans	-67.4	-50.1	-179.9	-54.6	-177.9	0	0	0	110.1	W33 L70 V73 K75 R80 E81 I82 P109	W33-I78 HydrophobicContact CH2-CG2 4.13Å; L70-I78 HydrophobicContact CD1-CB 4.44Å; L70-I78 HydrophobicContact CD1-CD1 4.35Å; L70-I78 HydrophobicContact CD1-CG1 4.17Å; L70-I78 HydrophobicContact CD1-CG2 3.68Å; V73-I78 HydrophobicContact CG2-CD1 3.87Å; V73-I78 HydrophobicContact CG2-CG1 3.59Å; K75-I78 PolarHBondContact O-N 2.88Å; I78-R80 VanDerWaalsContact C-N 3.26Å; I78-R80 PolarHBondContact O-N 3.16Å; I78-E81 PolarHBondContact O-N 3.41Å; I78-I82 HydrophobicContact CG2-CD1 3.83Å; I78-I82 WeakPolarHBondContact O-CG1 3.23Å; I78-I82 PolarHBondContact O-N 3.31Å; I78-P109 HydrophobicContact CD1-CG 3.83Å
79	K	98.2	Very high	97	Very high	57 Å²	57	51.8 Å²	51.8	25%	0.248	24%	0.243	C	C	.	.	H	α-helix	trans	-57.8	-39.1	175.6	-68.7	-165.9	174.6	-163.2	0	112.1	Y26 E27 H29 V31 K75 K83	Y26-K79 WeakPolarHBondContact O-CB 3.25Å; Y26-K79 WeakPolarHBondContact O-CD 3.39Å; E27-K79 PolarHBondContact O-NZ 2.61Å; H29-K79 VanDerWaalsContact O-CD 3.3Å; H29-K79 WeakPolarHBondContact O-CD 3.44Å; H29-K79 WeakPolarHBondContact O-CE 3.48Å; H29-K79 PolarHBondContact O-NZ 3.49Å; V31-K79 HydrophobicContact CG2-CG 4.28Å; K75-K79 PolarHBondContact O-N 2.98Å; K79-K83 VanDerWaalsContact O-CB 3.24Å; K79-K83 WeakPolarHBondContact O-CB 3.36Å; K79-K83 PolarHBondContact O-N 2.73Å
80	R	98.5	Very high	97	Very high	27 Å²	27	53.3 Å²	53.3	10%	0.102	27%	0.268	C	S	.	.	H	α-helix	trans	-62.3	-49.2	176.6	-168.9	175.9	72.4	-163.3	16.8	113	Y26 K76 K77 I78 I82 K83 I84 A179 E180	Y26-R80 HydrophobicContact CD1-CB 4.21Å; Y26-R80 HydrophobicContact CD1-CG 3.77Å; Y26-R80 HydrophobicContact CD2-CB 3.49Å; Y26-R80 VanDerWaalsContact CD2-CB 3.49Å; Y26-R80 HydrophobicContact CD2-CG 3.98Å; Y26-R80 HydrophobicContact CE1-CB 4.32Å; Y26-R80 HydrophobicContact CE1-CG 3.73Å; Y26-R80 HydrophobicContact CE2-CB 3.61Å; Y26-R80 HydrophobicContact CE2-CG 3.94Å; Y26-R80 HydrophobicContact CG-CB 3.8Å; Y26-R80 HydrophobicContact CG-CG 3.88Å; Y26-R80 VanDerWaalsContact CZ-CD 3.45Å; K76-R80 WeakPolarHBondContact O-CB 3.48Å; K76-R80 PolarHBondContact O-N 2.91Å; K76-R80 VanDerWaalsContact O-N 3.11Å; K77-R80 PolarHBondContact O-N 3.1Å; I78-R80 VanDerWaalsContact C-N 3.26Å; I78-R80 PolarHBondContact O-N 3.16Å; R80-I82 VanDerWaalsContact C-N 3.32Å; R80-I82 PolarHBondContact O-N 2.71Å; R80-K83 PolarHBondContact O-N 2.97Å; R80-I84 HydrophobicContact CG-CD1 3.8Å; R80-I84 HydrophobicContact CG-CG1 4.4Å; R80-I84 WeakPolarHBondContact O-CB 3.23Å; R80-I84 WeakPolarHBondContact O-CG1 3.47Å; R80-I84 PolarHBondContact O-N 3.01Å; R80-A179 PolarHBondContact NE-O 3.45Å; R80-A179 PolarHBondContact NH2-O 2.98Å; R80-E180 WeakPolarHBondContact CD-OE1 3.4Å; R80-E180 IonicContact CZ-OE1 2.87Å; R80-E180 IonicContact CZ-OE2 3.85Å; R80-E180 VanDerWaalsContact CZ-OE2 3.26Å; R80-E180 IonicContact NE-OE1 3.16Å; R80-E180 IonicContact NH1-OE1 3.21Å; R80-E180 PolarHBondContact NH1-OE1 3.29Å; R80-E180 IonicContact NH1-OE2 2.64Å; R80-E180 PolarHBondContact NH1-OE2 2.87Å; R80-E180 IonicContact NH2-OE2 2.65Å
81	E	98.3	Very high	97	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.028	27%	0.27	C	S	.	.	H	α-helix	trans	-61.2	-44.5	-179	-173.3	171	158.5	0	0	110.7	K68 K77 I78 L85 L111 G177	K68-E81 IonicContact NZ-OE1 3.12Å; K68-E81 PolarHBondContact NZ-OE1 2.67Å; K77-E81 PolarHBondContact O-N 2.94Å; I78-E81 PolarHBondContact O-N 3.41Å; E81-L85 HydrophobicContact CG-CD1 4.12Å; E81-L85 WeakPolarHBondContact O-CB 3.5Å; E81-L85 WeakPolarHBondContact O-CD1 3.34Å; E81-L85 VanDerWaalsContact O-CG 3.22Å; E81-L85 WeakPolarHBondContact O-CG 3.45Å; E81-L85 PolarHBondContact O-N 3.26Å; E81-L85 VanDerWaalsContact O-N 3.07Å; E81-L111 HydrophobicContact CG-CD1 4.06Å; E81-G177 WeakPolarHBondContact OE2-CA 3.42Å
82	I	98.6	Very high	97.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.3	-55.7	171.1	-69.8	163.2	0	0	0	110.9	H29 V31 W33 I78 R80 I84 L85 E86 I100 L111	H29-I82 WeakPolarHBondContact NE2-CG2 3.38Å; V31-I82 HydrophobicContact CB-CD1 4.48Å; V31-I82 HydrophobicContact CG1-CD1 3.84Å; V31-I82 HydrophobicContact CG2-CD1 3.75Å; V31-I82 HydrophobicContact CG2-CG2 4.33Å; W33-I82 HydrophobicContact CH2-CD1 4.08Å; I78-I82 HydrophobicContact CG2-CD1 3.83Å; I78-I82 WeakPolarHBondContact O-CG1 3.23Å; I78-I82 PolarHBondContact O-N 3.31Å; R80-I82 VanDerWaalsContact C-N 3.32Å; R80-I82 PolarHBondContact O-N 2.71Å; I82-I84 VanDerWaalsContact C-N 3.28Å; I82-I84 PolarHBondContact O-N 2.86Å; I82-L85 CarbonylContact O-C 3.56Å; I82-L85 WeakPolarHBondContact O-CA 3.34Å; I82-L85 WeakPolarHBondContact O-CB 3.41Å; I82-L85 PolarHBondContact O-N 2.78Å; I82-E86 HydrophobicContact CG2-CG 4.21Å; I82-E86 WeakPolarHBondContact O-CG 3.49Å; I82-E86 PolarHBondContact O-N 3.5Å; I82-I100 HydrophobicContact CD1-CG2 3.79Å; I82-I100 HydrophobicContact CG1-CD1 4.39Å; I82-I100 HydrophobicContact CG1-CG1 4.49Å; I82-I100 HydrophobicContact CG1-CG2 4.34Å; I82-I100 HydrophobicContact CG2-CD1 3.55Å; I82-I100 HydrophobicContact CG2-CG1 4.47Å; I82-L111 HydrophobicContact CD1-CD2 4.13Å; I82-L111 HydrophobicContact CG1-CD2 3.62Å
83	K	98.7	Very high	97.4	Very high	28 Å²	28	48.2 Å²	48.2	12%	0.122	24%	0.241	C	C	.	.	H	α-helix	trans	-64.9	-32.9	-171.7	-172.2	50.5	177.4	155.2	0	113.1	E22 Y23 K79 R80 E86 N87 F181	E22-K83 WeakPolarHBondContact O-CE 3.01Å; Y23-K83 WeakPolarHBondContact O-CE 3.46Å; K79-K83 VanDerWaalsContact O-CB 3.24Å; K79-K83 WeakPolarHBondContact O-CB 3.36Å; K79-K83 PolarHBondContact O-N 2.73Å; R80-K83 PolarHBondContact O-N 2.97Å; K83-E86 WeakPolarHBondContact CD-OE2 3.27Å; K83-E86 IonicContact NZ-OE2 3.65Å; K83-E86 PolarHBondContact NZ-OE2 3.47Å; K83-N87 VanDerWaalsContact CE-OD1 3.29Å; K83-N87 WeakPolarHBondContact CE-OD1 3.24Å; K83-N87 PolarHBondContact NZ-OD1 3.48Å; K83-N87 WeakPolarHBondContact O-CB 3.3Å; K83-N87 PolarHBondContact O-N 2.94Å; K83-N87 VanDerWaalsContact O-N 3.07Å; K83-N87 PolarHBondContact O-ND2 3.39Å; K83-N87 PolarHBondContact O-OD1 3.34Å; K83-F181 HydrophobicContact CG-CZ 4.26Å
84	I	98.9	Very high	97.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.3	-45.7	171.5	-75.5	176.7	0	0	0	110.9	R80 I82 E86 N87 L88 I152 W176 A179 F181	R80-I84 HydrophobicContact CG-CD1 3.8Å; R80-I84 HydrophobicContact CG-CG1 4.4Å; R80-I84 WeakPolarHBondContact O-CB 3.23Å; R80-I84 WeakPolarHBondContact O-CG1 3.47Å; R80-I84 PolarHBondContact O-N 3.01Å; I82-I84 VanDerWaalsContact C-N 3.28Å; I82-I84 PolarHBondContact O-N 2.86Å; I84-E86 PolarHBondContact O-N 3.1Å; I84-N87 PolarHBondContact O-N 2.98Å; I84-L88 HydrophobicContact CG2-CD1 3.83Å; I84-L88 WeakPolarHBondContact O-CB 3.37Å; I84-L88 VanDerWaalsContact O-CG 3.28Å; I84-L88 WeakPolarHBondContact O-CG 3.44Å; I84-L88 PolarHBondContact O-N 3.03Å; I84-I152 HydrophobicContact CB-CD1 4.47Å; I84-I152 HydrophobicContact CD1-CG2 4.11Å; I84-I152 HydrophobicContact CG1-CD1 4.16Å; I84-I152 HydrophobicContact CG1-CG1 4.31Å; I84-I152 HydrophobicContact CG1-CG2 4.34Å; I84-I152 HydrophobicContact CG2-CD1 4.24Å; I84-I152 HydrophobicContact CG2-CG2 3.91Å; I84-W176 HydrophobicContact CG2-CB 4.13Å; I84-W176 HydrophobicContact CG2-CD2 4.25Å; I84-W176 HydrophobicContact CG2-CE3 3.69Å; I84-W176 HydrophobicContact CG2-CG 4.44Å; I84-A179 HydrophobicContact CD1-CB 3.67Å; I84-A179 HydrophobicContact CG2-CB 4.13Å; I84-F181 HydrophobicContact CD1-CD2 4.43Å; I84-F181 HydrophobicContact CD1-CE2 4.19Å; I84-F181 HydrophobicContact CG1-CD2 4.27Å; I84-F181 HydrophobicContact CG1-CE2 3.59Å; I84-F181 HydrophobicContact CG1-CZ 3.74Å
85	L	98.7	Very high	98	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-65.6	-35.8	177.9	-75.1	166.4	0	0	0	113.1	E81 I82 R89 I95 L97 L111 F113 W176	E81-L85 HydrophobicContact CG-CD1 4.12Å; E81-L85 WeakPolarHBondContact O-CB 3.5Å; E81-L85 WeakPolarHBondContact O-CD1 3.34Å; E81-L85 VanDerWaalsContact O-CG 3.22Å; E81-L85 WeakPolarHBondContact O-CG 3.45Å; E81-L85 PolarHBondContact O-N 3.26Å; E81-L85 VanDerWaalsContact O-N 3.07Å; I82-L85 CarbonylContact O-C 3.56Å; I82-L85 WeakPolarHBondContact O-CA 3.34Å; I82-L85 WeakPolarHBondContact O-CB 3.41Å; I82-L85 PolarHBondContact O-N 2.78Å; L85-R89 PolarHBondContact O-N 3.07Å; L85-R89 VanDerWaalsContact O-N 3.11Å; L85-I95 HydrophobicContact CD2-CG2 3.99Å; L85-L97 HydrophobicContact CB-CB 3.88Å; L85-L97 HydrophobicContact CB-CD2 3.68Å; L85-L97 HydrophobicContact CB-CG 4.37Å; L85-L97 HydrophobicContact CD1-CB 4.35Å; L85-L97 HydrophobicContact CD1-CD1 4.35Å; L85-L97 HydrophobicContact CD1-CD2 4.23Å; L85-L97 HydrophobicContact CG-CB 4.5Å; L85-L111 HydrophobicContact CD1-CD1 4.05Å; L85-F113 HydrophobicContact CD1-CE1 3.65Å; L85-F113 HydrophobicContact CD1-CZ 3.73Å; L85-F113 HydrophobicContact CD2-CE1 3.91Å; L85-F113 HydrophobicContact CG-CE1 4.42Å; L85-W176 HydrophobicContact CD2-CB 4.14Å; L85-W176 HydrophobicContact CD2-CG 3.88Å; L85-W176 HydrophobicContact CG-CB 4.24Å; L85-W176 HydrophobicContact CG-CG 4.46Å
86	E	98.5	Very high	98.2	Very high	57 Å²	57	32.1 Å²	32.1	27%	0.266	17%	0.172	S	C	.	.	H	α-helix	trans	-61.8	-53.3	170.6	-73.1	-179.4	170.4	0	0	111.5	H29 I82 K83 I84 L88 R89	H29-E86 IonicContact CE1-OE1 2.88Å; H29-E86 PolarHBondContact CE1-OE1 2.88Å; H29-E86 IonicContact CE1-OE2 3.17Å; H29-E86 PolarHBondContact CE1-OE2 3.35Å; H29-E86 VanDerWaalsContact CE1-OE2 3.31Å; H29-E86 IonicContact ND1-OE2 2.65Å; H29-E86 IonicContact NE2-OE1 3.69Å; I82-E86 HydrophobicContact CG2-CG 4.21Å; I82-E86 WeakPolarHBondContact O-CG 3.49Å; I82-E86 PolarHBondContact O-N 3.5Å; K83-E86 WeakPolarHBondContact CD-OE2 3.27Å; K83-E86 IonicContact NZ-OE2 3.65Å; K83-E86 PolarHBondContact NZ-OE2 3.47Å; I84-E86 PolarHBondContact O-N 3.1Å; E86-L88 PolarHBondContact O-N 3.4Å; E86-R89 VanDerWaalsContact O-CB 3.3Å; E86-R89 WeakPolarHBondContact O-CB 3.29Å; E86-R89 PolarHBondContact O-N 2.91Å
87	N	98.7	Very high	98.3	Very high	19 Å²	19	27.9 Å²	27.9	10%	0.102	15%	0.153	C	C	.	.	H	α-helix	trans	-65.1	-25.9	-176	-71.3	-4.3	0	0	0	112.6	Y23 K83 I84 M150 I152 F181	Y23-N87 HydrophobicContact CE2-CB 3.91Å; Y23-N87 WeakPolarHBondContact CE2-ND2 3.13Å; Y23-N87 PolarHBondContact O-ND2 3.45Å; K83-N87 VanDerWaalsContact CE-OD1 3.29Å; K83-N87 WeakPolarHBondContact CE-OD1 3.24Å; K83-N87 PolarHBondContact NZ-OD1 3.48Å; K83-N87 WeakPolarHBondContact O-CB 3.3Å; K83-N87 PolarHBondContact O-N 2.94Å; K83-N87 VanDerWaalsContact O-N 3.07Å; K83-N87 PolarHBondContact O-ND2 3.39Å; K83-N87 PolarHBondContact O-OD1 3.34Å; I84-N87 PolarHBondContact O-N 2.98Å; N87-M150 WeakPolarHBondContact O-CE 3.45Å; N87-I152 HydrophobicContact CB-CD1 4.4Å; N87-F181 WeakPolarHBondContact ND2-CE1 3.37Å; N87-F181 WeakPolarHBondContact ND2-CZ 3.34Å
88	L	98.8	Very high	98.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	1.6	178.5	-59.7	175.8	0	0	0	113.9	I84 E86 G90 G91 I94 Y146 C147 M150 I152 W176	I84-L88 HydrophobicContact CG2-CD1 3.83Å; I84-L88 WeakPolarHBondContact O-CB 3.37Å; I84-L88 VanDerWaalsContact O-CG 3.28Å; I84-L88 WeakPolarHBondContact O-CG 3.44Å; I84-L88 PolarHBondContact O-N 3.03Å; E86-L88 PolarHBondContact O-N 3.4Å; L88-G90 PolarHBondContact O-N 3.41Å; L88-G91 PolarHBondContact O-N 3.38Å; L88-I94 HydrophobicContact CB-CG1 4.47Å; L88-I94 HydrophobicContact CB-CG2 3.89Å; L88-Y146 HydrophobicContact CB-CE1 4.23Å; L88-Y146 HydrophobicContact CD2-CD1 3.97Å; L88-Y146 HydrophobicContact CD2-CE1 3.72Å; L88-C147 HydrophobicContact CD1-CB 3.83Å; L88-C147 HydrophobicContact CD2-CB 3.92Å; L88-M150 HydrophobicContact CD2-CB 3.54Å; L88-M150 HydrophobicContact CD2-CG 3.99Å; L88-I152 HydrophobicContact CD1-CD1 4.03Å; L88-I152 HydrophobicContact CD1-CG2 4.27Å; L88-I152 HydrophobicContact CD2-CD1 3.89Å; L88-I152 HydrophobicContact CG-CD1 3.81Å; L88-W176 HydrophobicContact CD1-CD2 4.15Å; L88-W176 HydrophobicContact CD1-CE3 3.55Å; L88-W176 HydrophobicContact CD1-CH2 3.69Å; L88-W176 HydrophobicContact CD1-CZ2 4.23Å; L88-W176 HydrophobicContact CD1-CZ3 3.3Å
89	R	98.3	Very high	98.5	Very high	118 Å²	118	29.9 Å²	29.9	45%	0.445	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	127.1	-179.2	-176.1	-174.7	-87.5	162.1	-11.1	110.2	L85 E86 G91 T96 L97 A98	L85-R89 PolarHBondContact O-N 3.07Å; L85-R89 VanDerWaalsContact O-N 3.11Å; E86-R89 VanDerWaalsContact O-CB 3.3Å; E86-R89 WeakPolarHBondContact O-CB 3.29Å; E86-R89 PolarHBondContact O-N 2.91Å; R89-G91 VanDerWaalsContact C-N 3.35Å; R89-T96 HydrophobicContact CG-CG2 4.39Å; R89-L97 VanDerWaalsContact CZ-O 3.27Å; R89-L97 PolarHBondContact NE-O 3.22Å; R89-L97 PolarHBondContact NH2-O 2.83Å; R89-A98 PolarHBondContact NH2-O 3.01Å
90	G	97.9	Very high	98.5	Very high	69 Å²	69	27.9 Å²	27.9	71%	0.711	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.4	0.1	-175.9	0	0	0	0	0	114.9	L88	L88-G90 PolarHBondContact O-N 3.41Å
91	G	98.4	Very high	98.5	Very high	8 Å²	8	26.6 Å²	26.6	8%	0.082	16%	0.16	C	C	.	.			trans	-65.4	148.7	172.8	0	0	0	0	0	113.6	L88 R89 N93 I94	L88-G91 PolarHBondContact O-N 3.38Å; R89-G91 VanDerWaalsContact C-N 3.35Å; G91-N93 PolarHBondContact O-N 3.13Å; G91-I94 PolarHBondContact O-N 3.43Å
92	P	98.5	Very high	98.5	Very high	59 Å²	59	28.2 Å²	28.2	38%	0.383	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	122.6	178.3	26.4	-35.5	0	0	0	111	I94 K142 A143 Y146	P92-I94 PolarHBondContact O-N 3.15Å; P92-I94 VanDerWaalsContact O-N 3.12Å; P92-K142 HydrophobicContact CB-CB 4.31Å; P92-K142 HydrophobicContact CG-CB 4.47Å; P92-A143 WeakPolarHBondContact O-CA 3.12Å; P92-Y146 HydrophobicContact CG-CD2 4.31Å; P92-Y146 HydrophobicContact CG-CG 4.13Å
93	N	98.5	Very high	98.4	Very high	24 Å²	24	30.1 Å²	30.1	13%	0.128	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	19.6	179.6	-54	-31.1	0	0	0	115	G91 E139 A143 L171 R172 L173	G91-N93 PolarHBondContact O-N 3.13Å; N93-E139 WeakPolarHBondContact ND2-CB 3.35Å; N93-E139 PolarHBondContact ND2-O 2.96Å; N93-E139 PolarHBondContact ND2-OE2 3.43Å; N93-A143 HydrophobicContact CB-CB 4.19Å; N93-L171 HydrophobicContact CB-CD2 4.06Å; N93-L171 PolarHBondContact OD1-O 3.35Å; N93-R172 CarbonylContact O-C 3.56Å; N93-R172 WeakPolarHBondContact O-CA 3.47Å; N93-L173 PolarHBondContact O-N 3.36Å
94	I	98.7	Very high	98.3	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.015	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-84.1	141.5	167.2	-50.5	-62.8	0	0	0	109.2	L88 G91 P92 T96 A143 Y146 R172 W176	L88-I94 HydrophobicContact CB-CG1 4.47Å; L88-I94 HydrophobicContact CB-CG2 3.89Å; G91-I94 PolarHBondContact O-N 3.43Å; P92-I94 PolarHBondContact O-N 3.15Å; P92-I94 VanDerWaalsContact O-N 3.12Å; I94-T96 PolarHBondContact O-N 2.87Å; I94-A143 HydrophobicContact CD1-CB 3.96Å; I94-Y146 HydrophobicContact CD1-CD1 4.14Å; I94-Y146 HydrophobicContact CG1-CD1 3.84Å; I94-Y146 HydrophobicContact CG1-CE1 4.24Å; I94-R172 VanDerWaalsContact O-CD 3.23Å; I94-R172 WeakPolarHBondContact O-CD 3.41Å; I94-R172 PolarHBondContact O-NE 3.28Å; I94-W176 HydrophobicContact CD1-CH2 3.82Å; I94-W176 HydrophobicContact CD1-CZ2 3.57Å; I94-W176 HydrophobicContact CG2-CZ2 4.09Å
95	I	98.5	Very high	98.2	Very high	10 Å²	10	37.5 Å²	37.5	5%	0.051	23%	0.226	C	C	.	.			trans	-68	126	172.8	-168	70.5	0	0	0	112	L85 L97 F113 E114 V116 R172 L173 I174	L85-I95 HydrophobicContact CD2-CG2 3.99Å; I95-L97 PolarHBondContact O-N 3.37Å; I95-F113 HydrophobicContact CG1-CB 4.12Å; I95-F113 HydrophobicContact CG1-CD1 3.69Å; I95-F113 HydrophobicContact CG1-CE1 4.46Å; I95-F113 HydrophobicContact CG1-CG 4.17Å; I95-F113 HydrophobicContact CG2-CD1 4.12Å; I95-F113 HydrophobicContact CG2-CE1 4.1Å; I95-E114 HydrophobicContact CD1-CG 3.67Å; I95-V116 HydrophobicContact CD1-CG2 3.46Å; I95-V116 VanDerWaalsContact CD1-CG2 3.46Å; I95-R172 HydrophobicContact CD1-CB 4.19Å; I95-R172 HydrophobicContact CD1-CG 4.15Å; I95-L173 WeakPolarHBondContact CG2-O 3.41Å; I95-L173 PolarHBondContact N-O 3.32Å; I95-I174 HydrophobicContact CB-CG2 3.92Å; I95-I174 HydrophobicContact CD1-CG2 4.15Å; I95-I174 HydrophobicContact CG1-CG2 4.08Å; I95-I174 HydrophobicContact CG2-CB 4.47Å; I95-I174 HydrophobicContact CG2-CG2 4.24Å
96	T	98.5	Very high	98.1	Very high	45 Å²	45	40.8 Å²	40.8	28%	0.276	25%	0.249	S	C	.	.			trans	-77.4	109.2	179.5	-52.1	0	0	0	0	110.2	R89 I94 A98 F113 E114	R89-T96 HydrophobicContact CG-CG2 4.39Å; I94-T96 PolarHBondContact O-N 2.87Å; T96-A98 PolarHBondContact O-N 2.98Å; T96-F113 VanDerWaalsContact O-CA 3.29Å; T96-F113 WeakPolarHBondContact O-CA 3.23Å; T96-E114 WeakPolarHBondContact CB-OE1 3.18Å; T96-E114 PolarHBondContact N-OE1 3.39Å; T96-E114 PolarHBondContact O-N 2.86Å; T96-E114 PolarHBondContact OG1-OE1 2.94Å
97	L	98.6	Very high	98	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	113.7	161.2	176.7	72	0	0	0	108.1	L85 R89 I95 D99 I100 L111 F113	L85-L97 HydrophobicContact CB-CB 3.88Å; L85-L97 HydrophobicContact CB-CD2 3.68Å; L85-L97 HydrophobicContact CB-CG 4.37Å; L85-L97 HydrophobicContact CD1-CB 4.35Å; L85-L97 HydrophobicContact CD1-CD1 4.35Å; L85-L97 HydrophobicContact CD1-CD2 4.23Å; L85-L97 HydrophobicContact CG-CB 4.5Å; R89-L97 VanDerWaalsContact CZ-O 3.27Å; R89-L97 PolarHBondContact NE-O 3.22Å; R89-L97 PolarHBondContact NH2-O 2.83Å; I95-L97 PolarHBondContact O-N 3.37Å; L97-D99 WeakPolarHBondContact CD1-O 3.16Å; L97-I100 HydrophobicContact CD1-CG1 4.31Å; L97-I100 HydrophobicContact CD2-CD1 4.08Å; L97-I100 HydrophobicContact CD2-CG1 3.91Å; L97-I100 HydrophobicContact CG-CG1 4.36Å; L97-L111 HydrophobicContact CD1-CB 3.84Å; L97-L111 HydrophobicContact CD1-CD2 4.2Å; L97-L111 HydrophobicContact CD1-CG 4.45Å; L97-F113 HydrophobicContact CB-CD1 4.26Å; L97-F113 HydrophobicContact CB-CE1 4.1Å; L97-F113 HydrophobicContact CD1-CD1 4.39Å; L97-F113 HydrophobicContact CD1-CE1 4Å; L97-F113 HydrophobicContact CD1-CZ 4.16Å
98	A	98.1	Very high	97.9	Very high	53 Å²	53	46.6 Å²	46.6	44%	0.438	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-54.5	176.9	0	0	0	0	0	110.7	R89 T96 V112	R89-A98 PolarHBondContact NH2-O 3.01Å; T96-A98 PolarHBondContact O-N 2.98Å; A98-V112 PolarHBondContact N-O 2.68Å
99	D	98.3	Very high	97.8	Very high	43 Å²	43	47.7 Å²	47.7	23%	0.23	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	162	-170.2	-170.5	16.6	0	0	0	112.2	Y39 L97 V101 V112	Y39-D99 WeakPolarHBondContact CE2-OD2 3.48Å; Y39-D99 VanDerWaalsContact OH-CB 3.27Å; Y39-D99 WeakPolarHBondContact OH-CB 3.38Å; Y39-D99 PolarHBondContact OH-OD2 3.38Å; L97-D99 WeakPolarHBondContact CD1-O 3.16Å; D99-V101 VanDerWaalsContact OD2-CG1 3.24Å; D99-V101 WeakPolarHBondContact OD2-CG1 3.13Å; D99-V112 HydrophobicContact CB-CB 4.02Å; D99-V112 HydrophobicContact CB-CG2 4.2Å; D99-V112 PolarHBondContact N-O 3.43Å; D99-V112 PolarHBondContact O-N 2.99Å
100	I	98.5	Very high	97.8	Very high	15 Å²	15	42 Å²	42	8%	0.077	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	102.1	-173.7	-56.7	157.8	0	0	0	108.2	V31 W33 G34 I82 L97 L111	V31-I100 HydrophobicContact CG1-CB 4.5Å; V31-I100 HydrophobicContact CG1-CD1 4.42Å; V31-I100 HydrophobicContact CG1-CG2 3.6Å; W33-I100 CarbonylContact C-O 3.56Å; W33-I100 WeakPolarHBondContact CA-O 3.36Å; W33-I100 HydrophobicContact CD2-CG2 4.34Å; W33-I100 HydrophobicContact CE3-CG2 3.66Å; W33-I100 HydrophobicContact CH2-CG2 4.1Å; W33-I100 HydrophobicContact CZ3-CG2 3.52Å; G34-I100 PolarHBondContact N-O 3.36Å; I82-I100 HydrophobicContact CD1-CG2 3.79Å; I82-I100 HydrophobicContact CG1-CD1 4.39Å; I82-I100 HydrophobicContact CG1-CG1 4.49Å; I82-I100 HydrophobicContact CG1-CG2 4.34Å; I82-I100 HydrophobicContact CG2-CD1 3.55Å; I82-I100 HydrophobicContact CG2-CG1 4.47Å; L97-I100 HydrophobicContact CD1-CG1 4.31Å; L97-I100 HydrophobicContact CD2-CD1 4.08Å; L97-I100 HydrophobicContact CD2-CG1 3.91Å; L97-I100 HydrophobicContact CG-CG1 4.36Å; I100-L111 HydrophobicContact CG1-CD2 4.27Å; I100-L111 HydrophobicContact CG2-CD2 4.06Å
101	V	98.6	Very high	97.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	164.4	-167.4	-58.9	0	0	0	0	113.5	G34 Q36 Y39 D99 P109 A110 V112	G34-V101 WeakPolarHBondContact O-CA 3.25Å; Q36-V101 HydrophobicContact CB-CB 4.18Å; Q36-V101 HydrophobicContact CB-CG2 3.86Å; Q36-V101 HydrophobicContact CG-CG2 3.85Å; Y39-V101 HydrophobicContact CD2-CG1 4.11Å; Y39-V101 HydrophobicContact CE2-CG1 3.66Å; D99-V101 VanDerWaalsContact OD2-CG1 3.24Å; D99-V101 WeakPolarHBondContact OD2-CG1 3.13Å; V101-P109 WeakPolarHBondContact O-CA 3.46Å; V101-A110 HydrophobicContact CG2-CB 3.89Å; V101-A110 PolarHBondContact N-O 3.08Å; V101-A110 PolarHBondContact O-N 3.03Å; V101-V112 HydrophobicContact CG1-CG2 4.12Å; V101-V112 HydrophobicContact CG2-CG2 4.02Å
102	K	98	Very high	97.9	Very high	40 Å²	40	38.4 Å²	38.4	17%	0.174	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.4	163.3	-85.6	165.7	-174.9	150.7	0	111.4	W33 G34 Q36 T108 P109	W33-K102 HydrophobicContact CB-CD 4.3Å; W33-K102 HydrophobicContact CD2-CD 3.8Å; W33-K102 HydrophobicContact CD2-CG 4.11Å; W33-K102 VanDerWaalsContact CE2-CE 3.49Å; W33-K102 HydrophobicContact CE3-CD 3.86Å; W33-K102 HydrophobicContact CE3-CG 3.64Å; W33-K102 HydrophobicContact CG-CD 3.97Å; W33-K102 VanDerWaalsContact CG-NZ 3.31Å; W33-K102 HydrophobicContact CZ3-CG 4.15Å; G34-K102 PolarHBondContact O-N 2.96Å; G34-K102 VanDerWaalsContact O-N 3.08Å; Q36-K102 WeakPolarHBondContact CB-O 3.47Å; Q36-K102 PolarHBondContact N-O 3.07Å; Q36-K102 VanDerWaalsContact N-O 3.15Å; K102-T108 WeakPolarHBondContact CA-O 3.41Å; K102-P109 HydrophobicContact CG-CB 4.24Å
103	D	97.4	Very high	97.9	Very high	40 Å²	40	36.4 Å²	36.4	21%	0.214	21%	0.205	C	C	.	.			trans	-53.4	122.4	158.8	-175.2	-95.1	0	0	0	109.4	Q36 V105 S106 R107 T108	Q36-D103 PolarHBondContact NE2-OD2 2.69Å; Q36-D103 VanDerWaalsContact NE2-OD2 3.16Å; D103-V105 VanDerWaalsContact C-N 3.3Å; D103-V105 PolarHBondContact O-N 3.28Å; D103-V105 PolarHBondContact OD1-N 3.47Å; D103-S106 WeakPolarHBondContact CB-OG 3.3Å; D103-S106 WeakPolarHBondContact OD1-CA 3.46Å; D103-S106 VanDerWaalsContact OD1-CB 3.26Å; D103-S106 WeakPolarHBondContact OD1-CB 3.37Å; D103-S106 PolarHBondContact OD1-N 3.06Å; D103-S106 PolarHBondContact OD1-OG 2.71Å; D103-R107 WeakPolarHBondContact O-CA 3.27Å; D103-R107 PolarHBondContact O-N 2.99Å; D103-T108 PolarHBondContact N-O 2.78Å
104	P	96.4	Very high	97.9	Very high	50 Å²	50	37.6 Å²	37.6	33%	0.325	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-31.5	-171.8	23.9	-33.1	0	0	0	112.6	D37 R107	D37-P104 WeakPolarHBondContact OD1-CD 3.49Å; D37-P104 WeakPolarHBondContact OD1-CG 3.43Å; D37-P104 WeakPolarHBondContact OD2-CG 3.48Å; P104-R107 WeakPolarHBondContact O-CD 3.5Å
105	V	96.6	Very high	97.8	Very high	134 Å²	134	40.1 Å²	40.1	81%	0.812	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-58.8	-175.2	-177.6	0	0	0	0	111.8	D103 R107	D103-V105 VanDerWaalsContact C-N 3.3Å; D103-V105 PolarHBondContact O-N 3.28Å; D103-V105 PolarHBondContact OD1-N 3.47Å; V105-R107 VanDerWaalsContact C-N 3.33Å
106	S	95.9	Very high	97.5	Very high	70 Å²	70	41.2 Å²	41.2	49%	0.49	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-13.9	-178.2	69.8	0	0	0	0	113.7	D103 T108	D103-S106 WeakPolarHBondContact CB-OG 3.3Å; D103-S106 WeakPolarHBondContact OD1-CA 3.46Å; D103-S106 VanDerWaalsContact OD1-CB 3.26Å; D103-S106 WeakPolarHBondContact OD1-CB 3.37Å; D103-S106 PolarHBondContact OD1-N 3.06Å; D103-S106 PolarHBondContact OD1-OG 2.71Å; S106-T108 PolarHBondContact O-N 2.87Å; S106-T108 VanDerWaalsContact O-N 3.15Å; S106-T108 WeakPolarHBondContact OG-CB 3.42Å; S106-T108 PolarHBondContact OG-N 2.67Å; S106-T108 PolarHBondContact OG-OG1 3.32Å
107	R	95.9	Very high	97.2	Very high	151 Å²	151	43 Å²	43	57%	0.57	24%	0.237	S	C	*	.			trans	59.4	17.4	-173.6	-47.9	-59.8	-72.8	148.7	-8	113.8	D103 P104 V105	D103-R107 WeakPolarHBondContact O-CA 3.27Å; D103-R107 PolarHBondContact O-N 2.99Å; P104-R107 WeakPolarHBondContact O-CD 3.5Å; V105-R107 VanDerWaalsContact C-N 3.33Å
108	T	96.9	Very high	96.7	Very high	46 Å²	46	46.2 Å²	46.2	28%	0.282	25%	0.254	S	S	.	.			trans	-65.3	125.9	176.3	-55.8	0	0	0	0	109.8	I69 K102 D103 S106	I69-T108 HydrophobicContact CG2-CG2 3.63Å; K102-T108 WeakPolarHBondContact CA-O 3.41Å; D103-T108 PolarHBondContact N-O 2.78Å; S106-T108 PolarHBondContact O-N 2.87Å; S106-T108 VanDerWaalsContact O-N 3.15Å; S106-T108 WeakPolarHBondContact OG-CB 3.42Å; S106-T108 PolarHBondContact OG-N 2.67Å; S106-T108 PolarHBondContact OG-OG1 3.32Å
109	P	98	Very high	96.2	Very high	23 Å²	23	46.1 Å²	46.1	15%	0.149	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	141.9	178.4	30.7	-30.7	0	0	0	111.7	W33 L70 I78 V101 K102	W33-P109 HydrophobicContact CE3-CB 4.34Å; W33-P109 HydrophobicContact CH2-CB 3.61Å; W33-P109 HydrophobicContact CZ3-CB 3.35Å; L70-P109 HydrophobicContact CB-CG 4.32Å; L70-P109 WeakPolarHBondContact CB-O 3.49Å; L70-P109 HydrophobicContact CD1-CG 4.49Å; L70-P109 PolarHBondContact N-O 2.96Å; I78-P109 HydrophobicContact CD1-CG 3.83Å; V101-P109 WeakPolarHBondContact O-CA 3.46Å; K102-P109 HydrophobicContact CG-CB 4.24Å
110	A	98.5	Very high	95.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	154.5	172.5	0	0	0	0	0	111.1	V67 K68 I69 V101	V67-A110 HydrophobicContact CG1-CB 3.89Å; K68-A110 WeakPolarHBondContact O-CA 3.13Å; I69-A110 HydrophobicContact CB-CB 4.47Å; I69-A110 HydrophobicContact CG1-CB 4.19Å; V101-A110 HydrophobicContact CG2-CB 3.89Å; V101-A110 PolarHBondContact N-O 3.08Å; V101-A110 PolarHBondContact O-N 3.03Å
111	L	98.6	Very high	94.7	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.3	175.2	-57.2	-179.2	0	0	0	109	K68 L70 E81 I82 L85 L97 I100 F113	K68-L111 HydrophobicContact CB-CB 4.43Å; K68-L111 PolarHBondContact N-O 3.4Å; K68-L111 PolarHBondContact O-N 3.14Å; L70-L111 HydrophobicContact CD1-CD1 4.34Å; L70-L111 HydrophobicContact CD1-CG 4.14Å; L70-L111 HydrophobicContact CD2-CD1 4.41Å; L70-L111 HydrophobicContact CD2-CG 4.5Å; L70-L111 HydrophobicContact CG-CG 4.47Å; E81-L111 HydrophobicContact CG-CD1 4.06Å; I82-L111 HydrophobicContact CD1-CD2 4.13Å; I82-L111 HydrophobicContact CG1-CD2 3.62Å; L85-L111 HydrophobicContact CD1-CD1 4.05Å; L97-L111 HydrophobicContact CD1-CB 3.84Å; L97-L111 HydrophobicContact CD1-CD2 4.2Å; L97-L111 HydrophobicContact CD1-CG 4.45Å; I100-L111 HydrophobicContact CG1-CD2 4.27Å; I100-L111 HydrophobicContact CG2-CD2 4.06Å; L111-F113 HydrophobicContact CB-CD2 4.43Å; L111-F113 HydrophobicContact CB-CE2 3.54Å; L111-F113 HydrophobicContact CB-CZ 3.79Å; L111-F113 HydrophobicContact CD1-CZ 4.11Å
112	V	98.7	Very high	93.8	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.6	-178.2	-171.6	0	0	0	0	109.3	Y39 V65 V67 A98 D99 V101	Y39-V112 HydrophobicContact CD1-CG1 4.11Å; Y39-V112 HydrophobicContact CD2-CG2 4.31Å; Y39-V112 HydrophobicContact CE1-CG1 3.67Å; Y39-V112 HydrophobicContact CE1-CG2 4.34Å; Y39-V112 HydrophobicContact CE2-CG2 4.08Å; V65-V112 HydrophobicContact CB-CG1 3.72Å; V65-V112 HydrophobicContact CG1-CG1 4.1Å; V65-V112 HydrophobicContact CG2-CG1 3.71Å; V67-V112 HydrophobicContact CG2-CG2 4.42Å; A98-V112 PolarHBondContact N-O 2.68Å; D99-V112 HydrophobicContact CB-CB 4.02Å; D99-V112 HydrophobicContact CB-CG2 4.2Å; D99-V112 PolarHBondContact N-O 3.43Å; D99-V112 PolarHBondContact O-N 2.99Å; V101-V112 HydrophobicContact CG1-CG2 4.12Å; V101-V112 HydrophobicContact CG2-CG2 4.02Å
113	F	98.7	Very high	93.1	Very high	16 Å²	16	59.5 Å²	59.5	7%	0.07	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	159	-175.8	-61.5	-86.6	0	0	0	112.4	V65 V66 K68 L85 I95 T96 L97 L111	V65-F113 WeakPolarHBondContact CA-O 3.45Å; V65-F113 WeakPolarHBondContact CB-O 3.33Å; V66-F113 HydrophobicContact CB-CB 4.41Å; V66-F113 PolarHBondContact N-O 3.33Å; V66-F113 PolarHBondContact O-N 2.88Å; K68-F113 HydrophobicContact CB-CD2 4.34Å; K68-F113 HydrophobicContact CB-CE2 3.8Å; K68-F113 HydrophobicContact CD-CE2 3.96Å; K68-F113 HydrophobicContact CD-CZ 4.43Å; L85-F113 HydrophobicContact CD1-CE1 3.65Å; L85-F113 HydrophobicContact CD1-CZ 3.73Å; L85-F113 HydrophobicContact CD2-CE1 3.91Å; L85-F113 HydrophobicContact CG-CE1 4.42Å; I95-F113 HydrophobicContact CG1-CB 4.12Å; I95-F113 HydrophobicContact CG1-CD1 3.69Å; I95-F113 HydrophobicContact CG1-CE1 4.46Å; I95-F113 HydrophobicContact CG1-CG 4.17Å; I95-F113 HydrophobicContact CG2-CD1 4.12Å; I95-F113 HydrophobicContact CG2-CE1 4.1Å; T96-F113 VanDerWaalsContact O-CA 3.29Å; T96-F113 WeakPolarHBondContact O-CA 3.23Å; L97-F113 HydrophobicContact CB-CD1 4.26Å; L97-F113 HydrophobicContact CB-CE1 4.1Å; L97-F113 HydrophobicContact CD1-CD1 4.39Å; L97-F113 HydrophobicContact CD1-CE1 4Å; L97-F113 HydrophobicContact CD1-CZ 4.16Å; L111-F113 HydrophobicContact CB-CD2 4.43Å; L111-F113 HydrophobicContact CB-CE2 3.54Å; L111-F113 HydrophobicContact CB-CZ 3.79Å; L111-F113 HydrophobicContact CD1-CZ 4.11Å
114	E	97.8	Very high	92.6	Very high	49 Å²	49	57.6 Å²	57.6	23%	0.229	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50	141.5	165.3	68.4	-178.3	126.8	0	0	111	I95 T96 V116 R172	I95-E114 HydrophobicContact CD1-CG 3.67Å; T96-E114 WeakPolarHBondContact CB-OE1 3.18Å; T96-E114 PolarHBondContact N-OE1 3.39Å; T96-E114 PolarHBondContact O-N 2.86Å; T96-E114 PolarHBondContact OG1-OE1 2.94Å; E114-V116 HydrophobicContact CG-CG2 3.91Å; E114-V116 PolarHBondContact O-N 2.91Å; E114-R172 VanDerWaalsContact CD-NE 3.35Å; E114-R172 IonicContact OE1-CZ 3.66Å; E114-R172 IonicContact OE1-NE 3.49Å; E114-R172 PolarHBondContact OE1-NE 3.25Å; E114-R172 IonicContact OE1-NH2 3.59Å; E114-R172 IonicContact OE2-CZ 3.82Å; E114-R172 IonicContact OE2-NE 3.62Å; E114-R172 PolarHBondContact OE2-NE 2.74Å; E114-R172 IonicContact OE2-NH2 2.72Å; E114-R172 PolarHBondContact OE2-NH2 3.2Å
115	H	97.1	Very high	91.9	Very high	56 Å²	56	55.4 Å²	55.4	26%	0.259	28%	0.284	S	S	.	.			trans	-75.3	124.4	173.1	177	-77.5	0	0	0	110.8	K64 N117	K64-H115 HydrophobicContact CB-CB 3.8Å; K64-H115 WeakPolarHBondContact O-CB 3.45Å; H115-N117 PolarHBondContact CE1-OD1 3.32Å
116	V	93.5	Very high	91.3	Very high	34 Å²	34	53.9 Å²	53.9	21%	0.206	27%	0.269	C	S	.	.			trans	-118.4	121.6	179.5	-172.5	0	0	0	0	108.5	I95 E114 M163 R172	I95-V116 HydrophobicContact CD1-CG2 3.46Å; I95-V116 VanDerWaalsContact CD1-CG2 3.46Å; E114-V116 HydrophobicContact CG-CG2 3.91Å; E114-V116 PolarHBondContact O-N 2.91Å; V116-M163 HydrophobicContact CG1-CB 3.94Å; V116-R172 HydrophobicContact CG1-CB 4.44Å; V116-R172 HydrophobicContact CG1-CG 4.11Å; V116-R172 HydrophobicContact CG2-CB 4.46Å; V116-R172 HydrophobicContact CG2-CG 3.87Å
117	N	90.6	Very high	91.1	Very high	82 Å²	82	55.3 Å²	55.3	44%	0.439	27%	0.274	S	S	.	.			trans	-63.6	139.9	167.2	-60.5	-38.5	0	0	0	108.8	H115 D165	H115-N117 PolarHBondContact CE1-OD1 3.32Å; N117-D165 HydrophobicContact CB-CB 4.12Å; N117-D165 WeakPolarHBondContact CB-OD2 3.34Å; N117-D165 PolarHBondContact ND2-OD2 3.22Å; N117-D165 PolarHBondContact O-N 2.95Å
118	N	89.8	Confident	91.1	Very high	68 Å²	68	48.2 Å²	48.2	36%	0.364	25%	0.248	S	C	.	.			trans	-135.1	117.1	177.7	-175.7	68.3	0	0	0	112.1	M163 I164	N118-M163 HydrophobicContact CB-SD 3.53Å; N118-M163 VanDerWaalsContact CB-SD 3.53Å; N118-M163 VanDerWaalsContact OD1-CA 3.25Å; N118-M163 WeakPolarHBondContact OD1-CA 3.14Å; N118-M163 PolarHBondContact OD1-SD 3.09Å; N118-M163 VanDerWaalsContact OD1-SD 3.42Å; N118-I164 WeakPolarHBondContact CA-O 3.35Å; N118-I164 PolarHBondContact OD1-N 2.95Å
119	T	87.3	Confident	91.1	Very high	50 Å²	50	49.3 Å²	49.3	31%	0.307	25%	0.254	S	S	.	.			trans	-70.7	122.8	159.1	-47.7	0	0	0	0	107.8	F121 L124 I164 H166	T119-F121 PolarHBondContact O-N 2.91Å; T119-L124 HydrophobicContact CG2-CB 4.01Å; T119-I164 PolarHBondContact N-O 3.29Å; T119-H166 WeakPolarHBondContact OG1-CB 3.18Å
120	D	83.8	Confident	91	Very high	79 Å²	79	49.9 Å²	49.9	42%	0.422	26%	0.256	S	S	.	.			trans	-57.2	128.9	-179.2	176.5	-98.2	0	0	0	111	K122 Q123 L124	D120-K122 PolarHBondContact O-N 3.42Å; D120-K122 VanDerWaalsContact O-N 3.17Å; D120-K122 VanDerWaalsContact OD1-CB 3.26Å; D120-K122 WeakPolarHBondContact OD1-CB 3.48Å; D120-K122 PolarHBondContact OD1-N 3.48Å; D120-Q123 HydrophobicContact CB-CG 4.13Å; D120-Q123 WeakPolarHBondContact O-CB 3.47Å; D120-Q123 PolarHBondContact O-N 3.47Å; D120-Q123 PolarHBondContact OD1-N 2.87Å; D120-L124 PolarHBondContact O-N 3.11Å
121	F	80.1	Confident	91	Very high	16 Å²	16	53.7 Å²	53.7	7%	0.07	27%	0.271	C	S	.	.	H	α-helix	trans	-61.2	-32.8	-170.1	-173.4	-85.3	0	0	0	112.2	T119 Q123 L124 Y125 P159 I164 M225	T119-F121 PolarHBondContact O-N 2.91Å; F121-Q123 VanDerWaalsContact C-N 3.28Å; F121-Q123 PolarHBondContact O-N 3.11Å; F121-L124 PolarHBondContact O-N 3.09Å; F121-Y125 HydrophobicContact CD1-CD2 4.42Å; F121-Y125 AromaticContact CE1-CD2 3.46Å; F121-Y125 HydrophobicContact CE1-CD2 3.46Å; F121-Y125 VanDerWaalsContact CE1-CD2 3.46Å; F121-Y125 HydrophobicContact CE1-CE2 4.31Å; F121-Y125 HydrophobicContact CE1-CG 4.06Å; F121-Y125 AromaticContact CZ-CD2 3.91Å; F121-Y125 HydrophobicContact CZ-CD2 3.91Å; F121-Y125 WeakPolarHBondContact O-CB 3.3Å; F121-Y125 PolarHBondContact O-N 2.75Å; F121-P159 HydrophobicContact CB-CB 4.3Å; F121-P159 HydrophobicContact CD1-CB 3.33Å; F121-P159 HydrophobicContact CD1-CG 4.11Å; F121-P159 HydrophobicContact CD2-CB 3.82Å; F121-P159 HydrophobicContact CE1-CB 3.42Å; F121-P159 VanDerWaalsContact CE1-CB 3.42Å; F121-P159 HydrophobicContact CE1-CG 3.74Å; F121-P159 HydrophobicContact CE2-CB 3.91Å; F121-P159 HydrophobicContact CG-CB 3.54Å; F121-P159 HydrophobicContact CZ-CB 3.72Å; F121-P159 HydrophobicContact CZ-CG 4.01Å; F121-I164 HydrophobicContact CD2-CD1 4.44Å; F121-M225 HydrophobicContact CE2-SD 4.42Å; F121-M225 HydrophobicContact CZ-CG 4.18Å; F121-M225 HydrophobicContact CZ-SD 3.95Å
122	K	80	Confident	90.9	Very high	150 Å²	150	54.4 Å²	54.4	65%	0.652	28%	0.275	S	S	*	.	H	α-helix	trans	-68.8	-29	179.3	-171.3	-176.3	175.5	-174.6	0	112.1	D120	D120-K122 PolarHBondContact O-N 3.42Å; D120-K122 VanDerWaalsContact O-N 3.17Å; D120-K122 VanDerWaalsContact OD1-CB 3.26Å; D120-K122 WeakPolarHBondContact OD1-CB 3.48Å; D120-K122 PolarHBondContact OD1-N 3.48Å
123	Q	84.3	Confident	90.9	Very high	134 Å²	134	54.4 Å²	54.4	63%	0.626	28%	0.275	S	S	*	.	H	α-helix	trans	-74.1	-52.4	171.1	-57	179.4	10	0	0	110.1	D120 F121 Y125 Q126	D120-Q123 HydrophobicContact CB-CG 4.13Å; D120-Q123 WeakPolarHBondContact O-CB 3.47Å; D120-Q123 PolarHBondContact O-N 3.47Å; D120-Q123 PolarHBondContact OD1-N 2.87Å; F121-Q123 VanDerWaalsContact C-N 3.28Å; F121-Q123 PolarHBondContact O-N 3.11Å; Q123-Y125 PolarHBondContact O-N 2.72Å; Q123-Q126 PolarHBondContact O-N 2.61Å
124	L	86.5	Confident	90.9	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-61.5	-43.8	-175.8	179.1	57.4	0	0	0	112.8	T119 D120 F121 Q126 T127 L128 I164 H166	T119-L124 HydrophobicContact CG2-CB 4.01Å; D120-L124 PolarHBondContact O-N 3.11Å; F121-L124 PolarHBondContact O-N 3.09Å; L124-Q126 PolarHBondContact O-N 2.85Å; L124-T127 PolarHBondContact O-N 3.39Å; L124-T127 PolarHBondContact O-OG1 3Å; L124-T127 VanDerWaalsContact O-OG1 3.07Å; L124-L128 HydrophobicContact CD1-CD2 3.7Å; L124-L128 HydrophobicContact CD1-CG 4.06Å; L124-L128 HydrophobicContact CD2-CD2 4.35Å; L124-L128 HydrophobicContact CG-CD1 4.4Å; L124-L128 HydrophobicContact CG-CD2 3.87Å; L124-L128 HydrophobicContact CG-CG 3.96Å; L124-L128 WeakPolarHBondContact O-CG 3.42Å; L124-L128 PolarHBondContact O-N 3.12Å; L124-I164 HydrophobicContact CD2-CB 3.97Å; L124-I164 HydrophobicContact CD2-CD1 3.87Å; L124-I164 HydrophobicContact CD2-CG1 4.49Å; L124-I164 HydrophobicContact CD2-CG2 3.71Å; L124-H166 HydrophobicContact CD1-CB 4.2Å; L124-H166 WeakPolarHBondContact CD1-ND1 3.27Å; L124-H166 HydrophobicContact CD2-CB 4.5Å
125	Y	81.5	Confident	90.9	Very high	3 Å²	3	53.7 Å²	53.7	1%	0.012	27%	0.27	C	S	.	.	H	α-helix	trans	-51.8	-30.9	179	175.3	-88.3	0	0	0	113.8	F121 Q123 S224 M225 R228 K229 E230	F121-Y125 HydrophobicContact CD1-CD2 4.42Å; F121-Y125 AromaticContact CE1-CD2 3.46Å; F121-Y125 HydrophobicContact CE1-CD2 3.46Å; F121-Y125 VanDerWaalsContact CE1-CD2 3.46Å; F121-Y125 HydrophobicContact CE1-CE2 4.31Å; F121-Y125 HydrophobicContact CE1-CG 4.06Å; F121-Y125 AromaticContact CZ-CD2 3.91Å; F121-Y125 HydrophobicContact CZ-CD2 3.91Å; F121-Y125 WeakPolarHBondContact O-CB 3.3Å; F121-Y125 PolarHBondContact O-N 2.75Å; Q123-Y125 PolarHBondContact O-N 2.72Å; Y125-S224 PolarHBondContact OH-O 2.88Å; Y125-M225 HydrophobicContact CD2-CB 4.48Å; Y125-M225 HydrophobicContact CD2-CG 3.64Å; Y125-M225 HydrophobicContact CE2-CB 4.27Å; Y125-M225 HydrophobicContact CE2-CG 3.75Å; Y125-R228 VanDerWaalsContact O-CZ 3.3Å; Y125-R228 PolarHBondContact O-NE 3.35Å; Y125-K229 PolarHBondContact OH-N 3.28Å; Y125-E230 HydrophobicContact CE1-CB 4.33Å; Y125-E230 PolarHBondContact OH-N 3.17Å; Y125-E230 VanDerWaalsContact OH-N 3.13Å
126	Q	84.2	Confident	90.9	Very high	103 Å²	103	51.2 Å²	51.2	48%	0.481	26%	0.259	S	S	.	.	H	α-helix	trans	-83.7	-15.4	178.5	-63.7	-62.1	-6.5	0	0	113.9	Q123 L124 R228	Q123-Q126 PolarHBondContact O-N 2.61Å; L124-Q126 PolarHBondContact O-N 2.85Å; Q126-R228 PolarHBondContact O-NH1 2.99Å; Q126-R228 PolarHBondContact O-NH2 3.4Å; Q126-R228 VanDerWaalsContact O-NH2 3.13Å
127	T	91.3	Very high	91.1	Very high	99 Å²	99	49.6 Å²	49.6	61%	0.607	25%	0.249	S	C	*	.	H	α-helix	trans	-108.4	-15.3	-179.6	62.2	0	0	0	0	114.4	L124 T129	L124-T127 PolarHBondContact O-N 3.39Å; L124-T127 PolarHBondContact O-OG1 3Å; L124-T127 VanDerWaalsContact O-OG1 3.07Å; T127-T129 PolarHBondContact O-N 3.38Å
128	L	94.9	Very high	91.5	Very high	3 Å²	3	47 Å²	47	2%	0.016	23%	0.233	C	C	.	.			trans	-55.4	129.8	177.1	-71.3	173.6	0	0	0	112.5	L124 D132 I133 Y136 M225 R228	L124-L128 HydrophobicContact CD1-CD2 3.7Å; L124-L128 HydrophobicContact CD1-CG 4.06Å; L124-L128 HydrophobicContact CD2-CD2 4.35Å; L124-L128 HydrophobicContact CG-CD1 4.4Å; L124-L128 HydrophobicContact CG-CD2 3.87Å; L124-L128 HydrophobicContact CG-CG 3.96Å; L124-L128 WeakPolarHBondContact O-CG 3.42Å; L124-L128 PolarHBondContact O-N 3.12Å; L128-D132 HydrophobicContact CB-CB 4.38Å; L128-D132 HydrophobicContact CD2-CB 3.5Å; L128-D132 VanDerWaalsContact CD2-CB 3.5Å; L128-I133 HydrophobicContact CB-CG1 3.99Å; L128-I133 HydrophobicContact CD1-CG1 4.22Å; L128-Y136 HydrophobicContact CD2-CD2 3.73Å; L128-Y136 HydrophobicContact CD2-CE2 3.81Å; L128-M225 HydrophobicContact CD1-SD 3.95Å; L128-R228 PolarHBondContact O-NH2 3.07Å
129	T	96.8	Very high	91.9	Very high	68 Å²	68	44.5 Å²	44.5	42%	0.417	22%	0.22	S	C	.	.			trans	-78.7	166.2	165.6	72.4	0	0	0	0	111.1	T127 Y131 D132 I133	T127-T129 PolarHBondContact O-N 3.38Å; T129-Y131 VanDerWaalsContact C-N 3.25Å; T129-Y131 PolarHBondContact O-N 3.21Å; T129-Y131 PolarHBondContact OG1-N 2.99Å; T129-D132 WeakPolarHBondContact CB-OD2 3.3Å; T129-D132 WeakPolarHBondContact CG2-OD2 3.44Å; T129-D132 PolarHBondContact N-OD2 3.44Å; T129-D132 PolarHBondContact O-N 3.04Å; T129-D132 VanDerWaalsContact O-N 3.07Å; T129-D132 VanDerWaalsContact OG1-CG 3.31Å; T129-D132 PolarHBondContact OG1-N 3.17Å; T129-D132 VanDerWaalsContact OG1-N 3.12Å; T129-D132 PolarHBondContact OG1-OD2 2.92Å; T129-I133 WeakPolarHBondContact O-CG1 3.5Å; T129-I133 PolarHBondContact O-N 2.66Å
130	D	97.8	Very high	92.5	Very high	36 Å²	36	42.3 Å²	42.3	19%	0.193	21%	0.206	C	C	.	.	H	α-helix	trans	-55.5	-40.3	171.1	175.4	42.3	0	0	0	112.1	D132 I133 R134 L292 Y323	D130-D132 VanDerWaalsContact C-N 3.32Å; D130-D132 PolarHBondContact O-N 3.04Å; D130-I133 PolarHBondContact O-N 2.84Å; D130-R134 VanDerWaalsContact O-CG 3.28Å; D130-R134 WeakPolarHBondContact O-CG 3.23Å; D130-R134 PolarHBondContact O-N 2.96Å; D130-R134 IonicContact OD1-CZ 2.69Å; D130-R134 IonicContact OD1-NE 2.71Å; D130-R134 PolarHBondContact OD1-NE 3.4Å; D130-R134 IonicContact OD1-NH2 3.26Å; D130-R134 IonicContact OD2-CZ 3.15Å; D130-R134 IonicContact OD2-NE 3.03Å; D130-R134 PolarHBondContact OD2-NE 2.79Å; D130-R134 IonicContact OD2-NH2 3.67Å; D130-R134 PolarHBondContact OD2-NH2 3.02Å; D130-L292 HydrophobicContact CB-CD2 4.29Å; D130-Y323 PolarHBondContact OD1-OH 3.06Å; D130-Y323 VanDerWaalsContact OD1-OH 3.07Å
131	Y	97.9	Very high	93.2	Very high	79 Å²	79	38.6 Å²	38.6	31%	0.31	19%	0.186	S	C	.	.	H	α-helix	trans	-63.6	-37.8	175.9	-174.3	-87.2	0	0	0	112	T129 F135 P326 I327	T129-Y131 VanDerWaalsContact C-N 3.25Å; T129-Y131 PolarHBondContact O-N 3.21Å; T129-Y131 PolarHBondContact OG1-N 2.99Å; Y131-F135 VanDerWaalsContact O-CB 3.25Å; Y131-F135 WeakPolarHBondContact O-CB 3.45Å; Y131-F135 PolarHBondContact O-N 3.16Å; Y131-P326 HydrophobicContact CE2-CB 4.4Å; Y131-I327 HydrophobicContact CD1-CD1 4.39Å; Y131-I327 HydrophobicContact CD2-CD1 3.96Å; Y131-I327 HydrophobicContact CE1-CD1 4.04Å; Y131-I327 HydrophobicContact CE2-CD1 3.58Å; Y131-I327 HydrophobicContact CG-CD1 4.34Å
132	D	97.3	Very high	94.1	Very high	16 Å²	16	39.9 Å²	39.9	9%	0.086	19%	0.192	C	C	.	.	H	α-helix	trans	-72.5	-36.2	176.5	-60.1	-60.7	0	0	0	112.6	L128 T129 D130 F135 Y136 R169	L128-D132 HydrophobicContact CB-CB 4.38Å; L128-D132 HydrophobicContact CD2-CB 3.5Å; L128-D132 VanDerWaalsContact CD2-CB 3.5Å; T129-D132 WeakPolarHBondContact CB-OD2 3.3Å; T129-D132 WeakPolarHBondContact CG2-OD2 3.44Å; T129-D132 PolarHBondContact N-OD2 3.44Å; T129-D132 PolarHBondContact O-N 3.04Å; T129-D132 VanDerWaalsContact O-N 3.07Å; T129-D132 VanDerWaalsContact OG1-CG 3.31Å; T129-D132 PolarHBondContact OG1-N 3.17Å; T129-D132 VanDerWaalsContact OG1-N 3.12Å; T129-D132 PolarHBondContact OG1-OD2 2.92Å; D130-D132 VanDerWaalsContact C-N 3.32Å; D130-D132 PolarHBondContact O-N 3.04Å; D132-F135 PolarHBondContact O-N 3.32Å; D132-Y136 HydrophobicContact CB-CD2 4.28Å; D132-Y136 HydrophobicContact CB-CE2 4.16Å; D132-Y136 WeakPolarHBondContact O-CD2 3.35Å; D132-Y136 PolarHBondContact O-N 2.9Å; D132-R169 IonicContact OD1-CZ 3.68Å; D132-R169 IonicContact OD1-NH1 3.53Å; D132-R169 PolarHBondContact OD1-NH1 2.91Å; D132-R169 IonicContact OD1-NH2 2.71Å; D132-R169 PolarHBondContact OD1-NH2 3.42Å
133	I	97.6	Very high	95	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-60.3	-51.1	171.4	-64.7	169.1	0	0	0	109.4	L128 T129 D130 F135 M137 L222 M225 I226 L292	L128-I133 HydrophobicContact CB-CG1 3.99Å; L128-I133 HydrophobicContact CD1-CG1 4.22Å; T129-I133 WeakPolarHBondContact O-CG1 3.5Å; T129-I133 PolarHBondContact O-N 2.66Å; D130-I133 PolarHBondContact O-N 2.84Å; I133-F135 VanDerWaalsContact C-N 3.32Å; I133-F135 PolarHBondContact O-N 3.05Å; I133-M137 HydrophobicContact CG2-CG 4.19Å; I133-M137 WeakPolarHBondContact O-CB 3.49Å; I133-M137 WeakPolarHBondContact O-CG 3.24Å; I133-M137 PolarHBondContact O-N 3.1Å; I133-L222 HydrophobicContact CG2-CD1 4.01Å; I133-M225 HydrophobicContact CD1-CB 4.04Å; I133-M225 HydrophobicContact CG1-CB 4.25Å; I133-M225 HydrophobicContact CG1-SD 4.44Å; I133-M225 HydrophobicContact CG2-CB 4.26Å; I133-M225 HydrophobicContact CG2-CE 4.19Å; I133-M225 HydrophobicContact CG2-SD 4.41Å; I133-I226 HydrophobicContact CD1-CG2 4.43Å; I133-I226 HydrophobicContact CG2-CG2 4.21Å; I133-L292 HydrophobicContact CD1-CB 4.27Å; I133-L292 HydrophobicContact CD1-CD1 4.12Å; I133-L292 HydrophobicContact CD1-CD2 3.99Å; I133-L292 HydrophobicContact CD1-CG 4.35Å
134	R	98.4	Very high	95.7	Very high	23 Å²	23	26.4 Å²	26.4	9%	0.087	13%	0.131	C	C	.	.	H	α-helix	trans	-54.5	-47.3	174.3	-69.7	170.4	-163.4	-110.5	6.9	111.4	D130 Y138 S294 Y323 F324 I327	D130-R134 VanDerWaalsContact O-CG 3.28Å; D130-R134 WeakPolarHBondContact O-CG 3.23Å; D130-R134 PolarHBondContact O-N 2.96Å; D130-R134 IonicContact OD1-CZ 2.69Å; D130-R134 IonicContact OD1-NE 2.71Å; D130-R134 PolarHBondContact OD1-NE 3.4Å; D130-R134 IonicContact OD1-NH2 3.26Å; D130-R134 IonicContact OD2-CZ 3.15Å; D130-R134 IonicContact OD2-NE 3.03Å; D130-R134 PolarHBondContact OD2-NE 2.79Å; D130-R134 IonicContact OD2-NH2 3.67Å; D130-R134 PolarHBondContact OD2-NH2 3.02Å; R134-Y138 WeakPolarHBondContact O-CB 3.26Å; R134-Y138 PolarHBondContact O-N 3.02Å; R134-S294 PolarHBondContact NH2-OG 3.26Å; R134-S294 VanDerWaalsContact NH2-OG 3.08Å; R134-Y323 HydrophobicContact CB-CE1 4.38Å; R134-Y323 WeakPolarHBondContact CD-O 3.47Å; R134-Y323 HydrophobicContact CG-CD1 4.08Å; R134-Y323 HydrophobicContact CG-CD2 4.08Å; R134-Y323 HydrophobicContact CG-CE1 3.58Å; R134-Y323 HydrophobicContact CG-CE2 3.54Å; R134-Y323 HydrophobicContact CG-CG 4.3Å; R134-Y323 WeakPolarHBondContact CG-OH 3.23Å; R134-Y323 VanDerWaalsContact CZ-CD2 3.48Å; R134-Y323 VanDerWaalsContact NH1-CD2 3.26Å; R134-Y323 PolarHBondContact NH1-O 3Å; R134-F324 WeakPolarHBondContact O-CD1 3.18Å; R134-F324 VanDerWaalsContact O-CE1 3.24Å; R134-F324 WeakPolarHBondContact O-CE1 3.49Å; R134-I327 HydrophobicContact CB-CD1 3.85Å; R134-I327 HydrophobicContact CB-CG1 3.73Å
135	F	97.9	Very high	96.3	Very high	26 Å²	26	26.8 Å²	26.8	11%	0.114	13%	0.133	C	C	.	.	H	α-helix	trans	-61.6	-56.4	-179.2	-179.8	-91.3	0	0	0	112.1	Y131 D132 I133 M137 Y138 E139 R169 I327	Y131-F135 VanDerWaalsContact O-CB 3.25Å; Y131-F135 WeakPolarHBondContact O-CB 3.45Å; Y131-F135 PolarHBondContact O-N 3.16Å; D132-F135 PolarHBondContact O-N 3.32Å; I133-F135 VanDerWaalsContact C-N 3.32Å; I133-F135 PolarHBondContact O-N 3.05Å; F135-M137 VanDerWaalsContact C-N 3.34Å; F135-M137 PolarHBondContact O-N 3.47Å; F135-Y138 WeakPolarHBondContact O-CB 3.37Å; F135-Y138 PolarHBondContact O-N 2.78Å; F135-Y138 VanDerWaalsContact O-N 3.14Å; F135-E139 HydrophobicContact CD1-CG 4.26Å; F135-E139 HydrophobicContact CE1-CG 3.87Å; F135-E139 HydrophobicContact CZ-CG 4.02Å; F135-E139 WeakPolarHBondContact O-CG 3.21Å; F135-E139 PolarHBondContact O-N 3.04Å; F135-R169 HydrophobicContact CE1-CB 3.84Å; F135-R169 WeakPolarHBondContact CE1-O 3.34Å; F135-R169 VanDerWaalsContact CG-NH2 3.28Å; F135-R169 HydrophobicContact CZ-CB 3.9Å; F135-I327 HydrophobicContact CB-CD1 3.96Å; F135-I327 HydrophobicContact CD2-CG2 4.28Å
136	Y	97.6	Very high	97.1	Very high	5 Å²	5	29.4 Å²	29.4	2%	0.02	14%	0.143	C	C	.	.	H	α-helix	trans	-69	-32.5	-176.6	-68.1	-60.6	0	0	0	112.5	L128 D132 Y138 E139 I140 I164 H166 L171	L128-Y136 HydrophobicContact CD2-CD2 3.73Å; L128-Y136 HydrophobicContact CD2-CE2 3.81Å; D132-Y136 HydrophobicContact CB-CD2 4.28Å; D132-Y136 HydrophobicContact CB-CE2 4.16Å; D132-Y136 WeakPolarHBondContact O-CD2 3.35Å; D132-Y136 PolarHBondContact O-N 2.9Å; Y136-Y138 VanDerWaalsContact C-N 3.34Å; Y136-E139 PolarHBondContact O-N 2.59Å; Y136-I140 VanDerWaalsContact O-CG1 3.25Å; Y136-I140 WeakPolarHBondContact O-CG1 3.3Å; Y136-I140 PolarHBondContact O-N 2.97Å; Y136-I164 HydrophobicContact CD1-CD1 4.14Å; Y136-I164 HydrophobicContact CD1-CG1 4.5Å; Y136-I164 HydrophobicContact CD1-CG2 4.05Å; Y136-I164 HydrophobicContact CE1-CG2 3.5Å; Y136-I164 VanDerWaalsContact CE1-CG2 3.5Å; Y136-I164 HydrophobicContact CE2-CG2 4.33Å; Y136-I164 HydrophobicContact CG-CD1 4.1Å; Y136-H166 AromaticContact CE2-ND1 3.56Å; Y136-H166 AromaticContact CZ-ND1 3.67Å; Y136-H166 PolarHBondContact OH-ND1 3.34Å; Y136-H166 VanDerWaalsContact OH-ND1 3.08Å; Y136-L171 HydrophobicContact CD1-CD1 3.82Å; Y136-L171 HydrophobicContact CG-CD1 4.41Å
137	M	98.5	Very high	97.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.6	-41.5	170.5	-73.8	-71.2	-61.1	0	0	111.9	I133 F135 I140 L141 L218 L222 M225 F300 F324	I133-M137 HydrophobicContact CG2-CG 4.19Å; I133-M137 WeakPolarHBondContact O-CB 3.49Å; I133-M137 WeakPolarHBondContact O-CG 3.24Å; I133-M137 PolarHBondContact O-N 3.1Å; F135-M137 VanDerWaalsContact C-N 3.34Å; F135-M137 PolarHBondContact O-N 3.47Å; M137-I140 PolarHBondContact O-N 3.26Å; M137-L141 WeakPolarHBondContact O-CB 3.28Å; M137-L141 VanDerWaalsContact O-CG 3.29Å; M137-L141 WeakPolarHBondContact O-CG 3.21Å; M137-L141 PolarHBondContact O-N 3.25Å; M137-L218 HydrophobicContact CE-CD1 3.5Å; M137-L218 HydrophobicContact CE-CD2 4.09Å; M137-L218 HydrophobicContact CE-CG 3.56Å; M137-L218 HydrophobicContact SD-CD1 3.71Å; M137-L218 HydrophobicContact SD-CG 4.41Å; M137-L222 HydrophobicContact CE-CB 3.73Å; M137-L222 HydrophobicContact CE-CD1 4.11Å; M137-L222 HydrophobicContact CE-CD2 4.32Å; M137-L222 HydrophobicContact CE-CG 4.27Å; M137-L222 HydrophobicContact CG-CD1 4.21Å; M137-L222 HydrophobicContact SD-CB 4.23Å; M137-L222 HydrophobicContact SD-CD1 4.4Å; M137-M225 HydrophobicContact CG-CE 3.8Å; M137-M225 HydrophobicContact SD-CE 3.45Å; M137-M225 WeakPolarHBondContact SD-CE 3.39Å; M137-F300 HydrophobicContact CE-CE1 4.02Å; M137-F324 HydrophobicContact CB-CE1 3.79Å; M137-F324 HydrophobicContact CB-CZ 4Å
138	Y	98.7	Very high	98.2	Very high	27 Å²	27	19.9 Å²	19.9	11%	0.106	9%	0.092	C	C	.	.	H	α-helix	trans	-66.1	-38.9	175.2	-166	-106.1	0	0	0	112.3	R134 F135 Y136 L141 K142 M319 F324 I327 V328	R134-Y138 WeakPolarHBondContact O-CB 3.26Å; R134-Y138 PolarHBondContact O-N 3.02Å; F135-Y138 WeakPolarHBondContact O-CB 3.37Å; F135-Y138 PolarHBondContact O-N 2.78Å; F135-Y138 VanDerWaalsContact O-N 3.14Å; Y136-Y138 VanDerWaalsContact C-N 3.34Å; Y138-L141 PolarHBondContact O-N 3.38Å; Y138-K142 VanDerWaalsContact CE1-CE 3.45Å; Y138-K142 PolarHBondContact O-N 3.43Å; Y138-K142 VanDerWaalsContact O-N 3.09Å; Y138-M319 HydrophobicContact CD2-CB 4.33Å; Y138-M319 HydrophobicContact CD2-CE 4.49Å; Y138-M319 HydrophobicContact CD2-CG 4.18Å; Y138-M319 HydrophobicContact CE1-CE 4.13Å; Y138-M319 HydrophobicContact CE2-CB 3.73Å; Y138-M319 HydrophobicContact CE2-CE 3.77Å; Y138-M319 HydrophobicContact CE2-CG 3.9Å; Y138-F324 HydrophobicContact CD2-CB 3.84Å; Y138-F324 AromaticContact CD2-CD1 3.84Å; Y138-F324 HydrophobicContact CD2-CD1 3.84Å; Y138-F324 HydrophobicContact CD2-CD2 4.35Å; Y138-F324 HydrophobicContact CD2-CE1 4.48Å; Y138-F324 AromaticContact CD2-CG 3.74Å; Y138-F324 HydrophobicContact CD2-CG 3.74Å; Y138-F324 HydrophobicContact CE2-CB 4.21Å; Y138-F324 HydrophobicContact CE2-CG 4.49Å; Y138-F324 HydrophobicContact CG-CD1 4.23Å; Y138-I327 HydrophobicContact CD1-CG2 3.78Å; Y138-I327 HydrophobicContact CE1-CG2 4.42Å; Y138-I327 HydrophobicContact CG-CG2 4.05Å; Y138-V328 HydrophobicContact CE2-CG2 3.94Å
139	E	98.4	Very high	98.4	Very high	16 Å²	16	21.5 Å²	21.5	8%	0.075	10%	0.103	C	C	.	.	H	α-helix	trans	-69.8	-31.1	175.7	-65.4	-45.4	122.3	0	0	113.4	N93 F135 Y136 K142 L171 Q331	N93-E139 WeakPolarHBondContact ND2-CB 3.35Å; N93-E139 PolarHBondContact ND2-O 2.96Å; N93-E139 PolarHBondContact ND2-OE2 3.43Å; F135-E139 HydrophobicContact CD1-CG 4.26Å; F135-E139 HydrophobicContact CE1-CG 3.87Å; F135-E139 HydrophobicContact CZ-CG 4.02Å; F135-E139 WeakPolarHBondContact O-CG 3.21Å; F135-E139 PolarHBondContact O-N 3.04Å; Y136-E139 PolarHBondContact O-N 2.59Å; E139-K142 WeakPolarHBondContact OE1-CE 3.48Å; E139-K142 IonicContact OE1-NZ 3.2Å; E139-K142 PolarHBondContact OE1-NZ 3.39Å; E139-K142 WeakPolarHBondContact OE2-CD 3.44Å; E139-K142 IonicContact OE2-NZ 3.89Å; E139-K142 PolarHBondContact OE2-NZ 3.43Å; E139-L171 HydrophobicContact CB-CB 4.16Å; E139-L171 HydrophobicContact CB-CD1 4.22Å; E139-Q331 PolarHBondContact OE1-NE2 3.05Å
140	I	98.7	Very high	98.5	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	9%	0.09	C	C	.	.	H	α-helix	trans	-68.6	-43.6	168.8	-64	160.3	0	0	0	110.3	Y136 M137 K142 A143 L144 V162 L171 L218 M221	Y136-I140 VanDerWaalsContact O-CG1 3.25Å; Y136-I140 WeakPolarHBondContact O-CG1 3.3Å; Y136-I140 PolarHBondContact O-N 2.97Å; M137-I140 PolarHBondContact O-N 3.26Å; I140-K142 VanDerWaalsContact C-N 3.28Å; I140-K142 PolarHBondContact O-N 2.92Å; I140-A143 WeakPolarHBondContact O-CB 3.37Å; I140-A143 PolarHBondContact O-N 3.34Å; I140-L144 HydrophobicContact CG2-CD1 4.01Å; I140-L144 HydrophobicContact CG2-CG 4.21Å; I140-L144 PolarHBondContact O-N 3.39Å; I140-V162 HydrophobicContact CD1-CG1 4.1Å; I140-V162 HydrophobicContact CD1-CG2 4.27Å; I140-V162 HydrophobicContact CG1-CG1 4.06Å; I140-V162 HydrophobicContact CG1-CG2 4.34Å; I140-L171 HydrophobicContact CD1-CD1 4.34Å; I140-L171 HydrophobicContact CG1-CD1 3.69Å; I140-L171 HydrophobicContact CG1-CD2 3.94Å; I140-L171 HydrophobicContact CG1-CG 4.47Å; I140-L218 HydrophobicContact CB-CD1 4.28Å; I140-L218 HydrophobicContact CD1-CD1 4.4Å; I140-L218 HydrophobicContact CG2-CD1 3.73Å; I140-M221 HydrophobicContact CD1-CE 3.95Å
141	L	98.9	Very high	98.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.8	-37.8	179.1	-78	168.7	0	0	0	112.5	M137 Y138 A143 L144 D145 M215 L218 F300 A315 A318 M319 F324	M137-L141 WeakPolarHBondContact O-CB 3.28Å; M137-L141 VanDerWaalsContact O-CG 3.29Å; M137-L141 WeakPolarHBondContact O-CG 3.21Å; M137-L141 PolarHBondContact O-N 3.25Å; Y138-L141 PolarHBondContact O-N 3.38Å; L141-A143 VanDerWaalsContact C-N 3.33Å; L141-A143 PolarHBondContact O-N 2.96Å; L141-L144 PolarHBondContact O-N 3Å; L141-D145 WeakPolarHBondContact O-CB 3.15Å; L141-D145 PolarHBondContact O-N 3.05Å; L141-M215 HydrophobicContact CD2-CE 3.77Å; L141-M215 HydrophobicContact CD2-SD 4.43Å; L141-L218 HydrophobicContact CD2-CD2 3.4Å; L141-L218 HydrophobicContact CG-CD2 3.92Å; L141-F300 HydrophobicContact CD1-CZ 4.28Å; L141-A315 HydrophobicContact CD2-CB 4.25Å; L141-A318 HydrophobicContact CD1-CB 3.91Å; L141-A318 HydrophobicContact CD2-CB 3.6Å; L141-A318 HydrophobicContact CG-CB 4.44Å; L141-M319 HydrophobicContact CB-CG 3.55Å; L141-M319 HydrophobicContact CB-SD 4.13Å; L141-M319 HydrophobicContact CD1-CG 4.01Å; L141-M319 HydrophobicContact CG-CG 4.31Å; L141-F324 HydrophobicContact CD1-CD2 4.43Å; L141-F324 HydrophobicContact CD1-CE1 4.39Å; L141-F324 HydrophobicContact CD1-CE2 3.58Å; L141-F324 HydrophobicContact CD1-CZ 3.54Å
142	K	98.8	Very high	98.6	Very high	44 Å²	44	14.1 Å²	14.1	19%	0.191	7%	0.066	C	C	.	.	H	α-helix	trans	-57.5	-42.5	171.8	-71.3	173.9	-175.3	172.2	0	113	P92 Y138 E139 I140 Y146 M319	P92-K142 HydrophobicContact CB-CB 4.31Å; P92-K142 HydrophobicContact CG-CB 4.47Å; Y138-K142 VanDerWaalsContact CE1-CE 3.45Å; Y138-K142 PolarHBondContact O-N 3.43Å; Y138-K142 VanDerWaalsContact O-N 3.09Å; E139-K142 WeakPolarHBondContact OE1-CE 3.48Å; E139-K142 IonicContact OE1-NZ 3.2Å; E139-K142 PolarHBondContact OE1-NZ 3.39Å; E139-K142 WeakPolarHBondContact OE2-CD 3.44Å; E139-K142 IonicContact OE2-NZ 3.89Å; E139-K142 PolarHBondContact OE2-NZ 3.43Å; I140-K142 VanDerWaalsContact C-N 3.28Å; I140-K142 PolarHBondContact O-N 2.92Å; K142-Y146 VanDerWaalsContact O-CB 3.26Å; K142-Y146 WeakPolarHBondContact O-CB 3.4Å; K142-Y146 PolarHBondContact O-N 3.21Å; K142-Y146 VanDerWaalsContact O-N 3.11Å; K142-M319 HydrophobicContact CG-CE 3.66Å; K142-M319 HydrophobicContact CG-SD 4.43Å
143	A	98.9	Very high	98.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-68.4	-38.2	178.2	0	0	0	0	0	111.9	P92 N93 I94 I140 L141 C147 L173	P92-A143 WeakPolarHBondContact O-CA 3.12Å; N93-A143 HydrophobicContact CB-CB 4.19Å; I94-A143 HydrophobicContact CD1-CB 3.96Å; I140-A143 WeakPolarHBondContact O-CB 3.37Å; I140-A143 PolarHBondContact O-N 3.34Å; L141-A143 VanDerWaalsContact C-N 3.33Å; L141-A143 PolarHBondContact O-N 2.96Å; A143-C147 PolarHBondContact O-N 3.02Å; A143-C147 PolarHBondContact O-SG 2.72Å; A143-L173 HydrophobicContact CB-CB 4.09Å; A143-L173 HydrophobicContact CB-CD2 4.06Å
144	L	98.9	Very high	98.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-71	-48.9	177.7	-64.4	-179.8	0	0	0	112.1	I140 L141 Y146 C147 H148 V157 L173 D214 M215 L218 A315	I140-L144 HydrophobicContact CG2-CD1 4.01Å; I140-L144 HydrophobicContact CG2-CG 4.21Å; I140-L144 PolarHBondContact O-N 3.39Å; L141-L144 PolarHBondContact O-N 3Å; L144-Y146 PolarHBondContact O-N 3.4Å; L144-C147 PolarHBondContact O-N 2.88Å; L144-C147 PolarHBondContact O-SG 3.08Å; L144-C147 VanDerWaalsContact O-SG 3.34Å; L144-H148 VanDerWaalsContact O-CB 3.23Å; L144-H148 WeakPolarHBondContact O-CB 3.41Å; L144-H148 PolarHBondContact O-CD2 3.31Å; L144-H148 PolarHBondContact O-N 3.37Å; L144-V157 HydrophobicContact CD2-CG2 3.81Å; L144-L173 HydrophobicContact CD2-CD2 3.81Å; L144-D214 HydrophobicContact CD1-CB 4.43Å; L144-D214 HydrophobicContact CD2-CB 4.13Å; L144-M215 HydrophobicContact CD1-SD 4.33Å; L144-L218 HydrophobicContact CD1-CB 4.48Å; L144-L218 HydrophobicContact CD1-CD2 4.11Å; L144-A315 HydrophobicContact CB-CB 4.1Å
145	D	98.9	Very high	98.7	Very high	10 Å²	10	12.5 Å²	12.5	5%	0.053	6%	0.059	C	C	.	.	H	α-helix	trans	-59.8	-37.5	177.5	-160.3	57.1	0	0	0	111.5	Y12 L141 S149 A315 R316 M319	Y12-D145 PolarHBondContact OH-OD1 3.08Å; L141-D145 WeakPolarHBondContact O-CB 3.15Å; L141-D145 PolarHBondContact O-N 3.05Å; D145-S149 VanDerWaalsContact O-CB 3.23Å; D145-S149 WeakPolarHBondContact O-CB 3.36Å; D145-S149 PolarHBondContact O-N 3.47Å; D145-S149 PolarHBondContact O-OG 3.01Å; D145-A315 HydrophobicContact CB-CB 3.62Å; D145-R316 WeakPolarHBondContact OD1-CB 3.32Å; D145-R316 PolarHBondContact OD1-N 2.86Å; D145-R316 IonicContact OD2-CZ 3.5Å; D145-R316 VanDerWaalsContact OD2-CZ 3.26Å; D145-R316 IonicContact OD2-NE 3.36Å; D145-R316 PolarHBondContact OD2-NE 3.47Å; D145-R316 IonicContact OD2-NH2 2.74Å; D145-R316 PolarHBondContact OD2-NH2 2.7Å; D145-M319 HydrophobicContact CB-SD 4.31Å
146	Y	98.9	Very high	98.7	Very high	57 Å²	57	11.5 Å²	11.5	22%	0.224	5%	0.054	C	C	.	.	H	α-helix	trans	-65.4	-50.9	173.1	-176.4	-100.5	0	0	0	112.6	L88 P92 I94 K142 L144 H148 S149 M150	L88-Y146 HydrophobicContact CB-CE1 4.23Å; L88-Y146 HydrophobicContact CD2-CD1 3.97Å; L88-Y146 HydrophobicContact CD2-CE1 3.72Å; P92-Y146 HydrophobicContact CG-CD2 4.31Å; P92-Y146 HydrophobicContact CG-CG 4.13Å; I94-Y146 HydrophobicContact CD1-CD1 4.14Å; I94-Y146 HydrophobicContact CG1-CD1 3.84Å; I94-Y146 HydrophobicContact CG1-CE1 4.24Å; K142-Y146 VanDerWaalsContact O-CB 3.26Å; K142-Y146 WeakPolarHBondContact O-CB 3.4Å; K142-Y146 PolarHBondContact O-N 3.21Å; K142-Y146 VanDerWaalsContact O-N 3.11Å; L144-Y146 PolarHBondContact O-N 3.4Å; Y146-H148 PolarHBondContact O-N 2.91Å; Y146-S149 PolarHBondContact O-N 2.82Å; Y146-S149 PolarHBondContact O-OG 3.28Å; Y146-M150 HydrophobicContact CD1-CG 4.38Å; Y146-M150 HydrophobicContact CD2-CG 4.44Å; Y146-M150 HydrophobicContact CE1-CG 4.01Å; Y146-M150 HydrophobicContact CE2-CG 4.09Å; Y146-M150 WeakPolarHBondContact O-CB 3.46Å; Y146-M150 VanDerWaalsContact O-CG 3.24Å; Y146-M150 WeakPolarHBondContact O-CG 3.43Å; Y146-M150 PolarHBondContact O-N 3.11Å
147	C	98.9	Very high	98.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-68.6	-35.6	-179	74.5	0	0	0	0	112.7	L88 A143 L144 M150 G151 I152 W176	L88-C147 HydrophobicContact CD1-CB 3.83Å; L88-C147 HydrophobicContact CD2-CB 3.92Å; A143-C147 PolarHBondContact O-N 3.02Å; A143-C147 PolarHBondContact O-SG 2.72Å; L144-C147 PolarHBondContact O-N 2.88Å; L144-C147 PolarHBondContact O-SG 3.08Å; L144-C147 VanDerWaalsContact O-SG 3.34Å; C147-M150 CarbonylContact O-C 3.57Å; C147-M150 PolarHBondContact O-N 2.83Å; C147-G151 PolarHBondContact O-N 3.44Å; C147-G151 VanDerWaalsContact O-N 3.15Å; C147-I152 CarbonylContact C-O 3.51Å; C147-I152 VanDerWaalsContact C-O 3.25Å; C147-I152 HydrophobicContact CB-CB 4.5Å; C147-I152 PolarHBondContact O-N 3Å; C147-I152 VanDerWaalsContact O-O 3.09Å; C147-W176 HydrophobicContact CB-CH2 3.54Å; C147-W176 HydrophobicContact CB-CZ3 3.65Å
148	H	98.9	Very high	98.7	Very high	3 Å²	3	12.5 Å²	12.5	1%	0.014	6%	0.059	C	C	.	.	H	α-helix	trans	-63.2	-45.8	174.2	-63.3	176.8	0	0	0	111.1	Y12 L144 Y146 M150 G151 I152 Y211 D214	Y12-H148 WeakPolarHBondContact CB-O 3.33Å; Y12-H148 VanDerWaalsContact CD2-C 3.47Å; Y12-H148 HydrophobicContact CD2-CB 3.88Å; Y12-H148 HydrophobicContact CE2-CB 4.1Å; L144-H148 VanDerWaalsContact O-CB 3.23Å; L144-H148 WeakPolarHBondContact O-CB 3.41Å; L144-H148 PolarHBondContact O-CD2 3.31Å; L144-H148 PolarHBondContact O-N 3.37Å; Y146-H148 PolarHBondContact O-N 2.91Å; H148-M150 VanDerWaalsContact C-N 3.27Å; H148-M150 PolarHBondContact O-N 3.34Å; H148-G151 PolarHBondContact O-N 2.74Å; H148-I152 PolarHBondContact CD2-O 2.92Å; H148-Y211 HydrophobicContact CB-CD1 3.88Å; H148-Y211 HydrophobicContact CB-CE1 4.38Å; H148-Y211 HydrophobicContact CB-CG 4.11Å; H148-Y211 AromaticContact CD2-CD1 3.7Å; H148-Y211 PolarHBondContact CE1-O 3.4Å; H148-Y211 AromaticContact CG-CD1 3.84Å; H148-Y211 AromaticContact CG-CG 3.99Å; H148-D214 IonicContact CD2-OD2 2.97Å; H148-D214 IonicContact CE1-OD2 3.44Å; H148-D214 IonicContact NE2-OD2 3.17Å; H148-D214 PolarHBondContact NE2-OD2 2.9Å
149	S	98.8	Very high	98.5	Very high	36 Å²	36	11.6 Å²	11.6	25%	0.252	6%	0.056	S	C	.	.	H	α-helix	trans	-66.4	-27.5	174.8	65.7	0	0	0	0	113.9	Y12 D145 Y146 G151	Y12-S149 VanDerWaalsContact CE1-CB 3.46Å; Y12-S149 VanDerWaalsContact CZ-CB 3.49Å; D145-S149 VanDerWaalsContact O-CB 3.23Å; D145-S149 WeakPolarHBondContact O-CB 3.36Å; D145-S149 PolarHBondContact O-N 3.47Å; D145-S149 PolarHBondContact O-OG 3.01Å; Y146-S149 PolarHBondContact O-N 2.82Å; Y146-S149 PolarHBondContact O-OG 3.28Å; S149-G151 PolarHBondContact O-N 3.17Å
150	M	98.9	Very high	98.2	Very high	29 Å²	29	17.6 Å²	17.6	14%	0.143	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	8.6	170.7	-67.8	-66.3	-82.9	0	0	113.2	R19 Y23 N87 L88 Y146 C147 H148	R19-M150 PolarHBondContact NH2-SD 3.47Å; R19-M150 VanDerWaalsContact NH2-SD 3.43Å; Y23-M150 WeakPolarHBondContact CE1-O 3.42Å; Y23-M150 HydrophobicContact CE2-CE 4.39Å; Y23-M150 WeakPolarHBondContact OH-CE 3.25Å; Y23-M150 PolarHBondContact OH-O 2.92Å; N87-M150 WeakPolarHBondContact O-CE 3.45Å; L88-M150 HydrophobicContact CD2-CB 3.54Å; L88-M150 HydrophobicContact CD2-CG 3.99Å; Y146-M150 HydrophobicContact CD1-CG 4.38Å; Y146-M150 HydrophobicContact CD2-CG 4.44Å; Y146-M150 HydrophobicContact CE1-CG 4.01Å; Y146-M150 HydrophobicContact CE2-CG 4.09Å; Y146-M150 WeakPolarHBondContact O-CB 3.46Å; Y146-M150 VanDerWaalsContact O-CG 3.24Å; Y146-M150 WeakPolarHBondContact O-CG 3.43Å; Y146-M150 PolarHBondContact O-N 3.11Å; C147-M150 CarbonylContact O-C 3.57Å; C147-M150 PolarHBondContact O-N 2.83Å; H148-M150 VanDerWaalsContact C-N 3.27Å; H148-M150 PolarHBondContact O-N 3.34Å
151	G	98.8	Very high	98.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	21.5	171.4	0	0	0	0	0	114.9	N16 C147 H148 S149 F181 Y182	N16-G151 PolarHBondContact ND2-O 3.39Å; C147-G151 PolarHBondContact O-N 3.44Å; C147-G151 VanDerWaalsContact O-N 3.15Å; H148-G151 PolarHBondContact O-N 2.74Å; S149-G151 PolarHBondContact O-N 3.17Å; G151-F181 CarbonylContact O-C 3.59Å; G151-F181 WeakPolarHBondContact O-CA 3.48Å; G151-Y182 PolarHBondContact O-N 2.91Å
152	I	98.9	Very high	98	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131.5	-170.9	-68	156.7	0	0	0	110.5	I84 N87 L88 C147 H148 W176 A179 E180 F181	I84-I152 HydrophobicContact CB-CD1 4.47Å; I84-I152 HydrophobicContact CD1-CG2 4.11Å; I84-I152 HydrophobicContact CG1-CD1 4.16Å; I84-I152 HydrophobicContact CG1-CG1 4.31Å; I84-I152 HydrophobicContact CG1-CG2 4.34Å; I84-I152 HydrophobicContact CG2-CD1 4.24Å; I84-I152 HydrophobicContact CG2-CG2 3.91Å; N87-I152 HydrophobicContact CB-CD1 4.4Å; L88-I152 HydrophobicContact CD1-CD1 4.03Å; L88-I152 HydrophobicContact CD1-CG2 4.27Å; L88-I152 HydrophobicContact CD2-CD1 3.89Å; L88-I152 HydrophobicContact CG-CD1 3.81Å; C147-I152 CarbonylContact C-O 3.51Å; C147-I152 VanDerWaalsContact C-O 3.25Å; C147-I152 HydrophobicContact CB-CB 4.5Å; C147-I152 PolarHBondContact O-N 3Å; C147-I152 VanDerWaalsContact O-O 3.09Å; H148-I152 PolarHBondContact CD2-O 2.92Å; I152-W176 HydrophobicContact CG2-CE3 4.34Å; I152-W176 HydrophobicContact CG2-CZ3 4.12Å; I152-A179 HydrophobicContact CG2-CB 4.13Å; I152-E180 CarbonylContact C-O 3.05Å; I152-E180 WeakPolarHBondContact CA-O 3.46Å; I152-F181 HydrophobicContact CD1-CD1 4.28Å; I152-F181 HydrophobicContact CD1-CE1 3.76Å; I152-F181 HydrophobicContact CD1-CZ 4.27Å; I152-F181 HydrophobicContact CG1-CD1 3.71Å; I152-F181 HydrophobicContact CG1-CE1 3.72Å; I152-F181 HydrophobicContact CG1-CG 4.4Å; I152-F181 HydrophobicContact CG1-CZ 4.4Å
153	M	98.9	Very high	97.8	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	138.1	169.4	-56.6	174.9	-80.2	0	0	109.4	R155 A179 E180 Y182 Y188 Y209 Y211	M153-R155 HydrophobicContact CB-CG 3.64Å; M153-A179 CarbonylContact O-C 3.5Å; M153-A179 WeakPolarHBondContact O-CA 3.34Å; M153-A179 WeakPolarHBondContact O-CB 3.41Å; M153-E180 HydrophobicContact CE-CB 4.32Å; M153-E180 PolarHBondContact N-O 3.45Å; M153-E180 PolarHBondContact O-N 3.13Å; M153-Y182 HydrophobicContact CE-CD2 4.06Å; M153-Y182 HydrophobicContact SD-CD2 4.1Å; M153-Y188 HydrophobicContact CE-CD1 3.97Å; M153-Y188 HydrophobicContact CE-CD2 4.28Å; M153-Y188 HydrophobicContact CE-CE1 3.61Å; M153-Y188 HydrophobicContact CE-CE2 3.98Å; M153-Y188 HydrophobicContact CE-CG 4.3Å; M153-Y209 HydrophobicContact CE-CE2 4.47Å; M153-Y209 HydrophobicContact SD-CD2 4.13Å; M153-Y209 HydrophobicContact SD-CE2 4.15Å; M153-Y211 HydrophobicContact CG-CD1 3.67Å; M153-Y211 HydrophobicContact CG-CE1 4.2Å; M153-Y211 HydrophobicContact CG-CG 4.38Å
154	H	98.9	Very high	97.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.09	C	C	.	.			trans	-78.4	-43.2	178.9	-172.7	-105.2	0	0	0	112.4	D156 V157 I174 W176 L178 A179 D214	H154-D156 PolarHBondContact CE1-O 2.95Å; H154-D156 PolarHBondContact O-N 2.87Å; H154-D156 VanDerWaalsContact O-N 3.12Å; H154-V157 HydrophobicContact CB-CG2 3.88Å; H154-V157 WeakPolarHBondContact ND1-CG2 3.27Å; H154-V157 PolarHBondContact ND1-N 3.15Å; H154-I174 PolarHBondContact CE1-O 3.04Å; H154-I174 PolarHBondContact NE2-O 3.06Å; H154-I174 VanDerWaalsContact NE2-O 3.15Å; H154-W176 HydrophobicContact CB-CZ3 4.26Å; H154-W176 AromaticContact CD2-CD2 3.64Å; H154-W176 AromaticContact CD2-CE2 3.82Å; H154-W176 AromaticContact CD2-CE3 3.56Å; H154-W176 AromaticContact CD2-CH2 3.81Å; H154-W176 AromaticContact CD2-CZ2 3.91Å; H154-W176 AromaticContact CD2-CZ3 3.65Å; H154-L178 CarbonylContact O-C 3.55Å; H154-A179 WeakPolarHBondContact O-CA 3.35Å; H154-A179 PolarHBondContact O-N 3.26Å; H154-D214 PolarHBondContact N-OD2 3.31Å
155	R	98.8	Very high	97.5	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.015	9%	0.094	C	C	.	.	S	Bend	trans	59.2	15.5	174.7	-45.5	-167.3	-57.3	-170.7	-7.4	116.8	M153 L178 E180 V192 A193 Y209 L213 D214	M153-R155 HydrophobicContact CB-CG 3.64Å; R155-L178 VanDerWaalsContact CZ-O 3.29Å; R155-L178 PolarHBondContact NE-O 2.99Å; R155-L178 PolarHBondContact NH2-O 3.08Å; R155-E180 IonicContact CZ-OE2 3.79Å; R155-E180 IonicContact NH1-OE2 3.58Å; R155-E180 PolarHBondContact NH1-OE2 3.34Å; R155-E180 IonicContact NH2-OE2 3.31Å; R155-E180 PolarHBondContact NH2-OE2 2.82Å; R155-V192 HydrophobicContact CB-CB 4.21Å; R155-V192 HydrophobicContact CB-CG2 4.07Å; R155-A193 WeakPolarHBondContact O-CA 3.49Å; R155-A193 WeakPolarHBondContact O-CB 3.27Å; R155-A193 PolarHBondContact O-N 3.06Å; R155-Y209 WeakPolarHBondContact CD-OH 3.41Å; R155-Y209 HydrophobicContact CG-CE2 4.46Å; R155-Y209 PolarHBondContact NH1-OH 3.5Å; R155-L213 HydrophobicContact CB-CD2 4.14Å; R155-L213 HydrophobicContact CG-CD2 4.07Å; R155-D214 WeakPolarHBondContact CA-OD1 3.35Å; R155-D214 PolarHBondContact N-OD1 3.22Å
156	D	98.4	Very high	97.3	Very high	5 Å²	5	21.4 Å²	21.4	3%	0.027	10%	0.104	C	C	.	.			trans	-153.6	40.4	171	-160.9	25.9	0	0	0	111.1	H154 K158 N161 L178 A193 S194	H154-D156 PolarHBondContact CE1-O 2.95Å; H154-D156 PolarHBondContact O-N 2.87Å; H154-D156 VanDerWaalsContact O-N 3.12Å; D156-K158 PolarHBondContact O-N 3.24Å; D156-K158 IonicContact OD1-NZ 2.67Å; D156-K158 PolarHBondContact OD1-NZ 2.93Å; D156-K158 IonicContact OD2-NZ 2.75Å; D156-K158 PolarHBondContact OD2-NZ 3.22Å; D156-N161 PolarHBondContact O-ND2 3.42Å; D156-N161 PolarHBondContact OD2-ND2 3.02Å; D156-L178 HydrophobicContact CB-CB 4.07Å; D156-L178 HydrophobicContact CB-CD1 3.89Å; D156-A193 WeakPolarHBondContact OD1-CA 3.46Å; D156-S194 PolarHBondContact OD1-N 2.77Å
157	V	98.5	Very high	97.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.			trans	-67	121.2	173	179.1	0	0	0	0	108.7	L144 H154 D214 S217 M221	L144-V157 HydrophobicContact CD2-CG2 3.81Å; H154-V157 HydrophobicContact CB-CG2 3.88Å; H154-V157 WeakPolarHBondContact ND1-CG2 3.27Å; H154-V157 PolarHBondContact ND1-N 3.15Å; V157-D214 HydrophobicContact CG2-CB 3.93Å; V157-S217 WeakPolarHBondContact O-CB 3.4Å; V157-M221 HydrophobicContact CG1-SD 3.96Å
158	K	96.5	Very high	96.9	Very high	26 Å²	26	31.4 Å²	31.4	11%	0.113	15%	0.153	C	C	.	.	S	Bend	trans	-166.6	163	180	66	-165	177.5	-152.9	0	109.2	D156 H160 N161 S194 F197 M221	D156-K158 PolarHBondContact O-N 3.24Å; D156-K158 IonicContact OD1-NZ 2.67Å; D156-K158 PolarHBondContact OD1-NZ 2.93Å; D156-K158 IonicContact OD2-NZ 2.75Å; D156-K158 PolarHBondContact OD2-NZ 3.22Å; K158-H160 VanDerWaalsContact C-N 3.29Å; K158-H160 HydrophobicContact CG-CB 4.41Å; K158-H160 PolarHBondContact O-N 3.12Å; K158-N161 VanDerWaalsContact CE-CG 3.5Å; K158-N161 WeakPolarHBondContact CE-ND2 3.42Å; K158-N161 VanDerWaalsContact CE-OD1 3.25Å; K158-N161 WeakPolarHBondContact CE-OD1 3.43Å; K158-N161 HydrophobicContact CG-CB 4.07Å; K158-N161 PolarHBondContact O-N 3.26Å; K158-S194 WeakPolarHBondContact CD-OG 3.4Å; K158-S194 PolarHBondContact NZ-OG 3.04Å; K158-F197 HydrophobicContact CB-CD1 4.21Å; K158-F197 HydrophobicContact CB-CD2 3.62Å; K158-F197 HydrophobicContact CB-CE1 4.34Å; K158-F197 HydrophobicContact CB-CE2 3.75Å; K158-F197 HydrophobicContact CB-CG 3.88Å; K158-F197 HydrophobicContact CB-CZ 4.13Å; K158-M221 VanDerWaalsContact C-SD 3.54Å; K158-M221 VanDerWaalsContact CA-SD 3.59Å
159	P	94.8	Very high	96.7	Very high	8 Å²	8	35.1 Å²	35.1	5%	0.052	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-60.5	-34.4	-174.9	-23.2	32.5	0	0	0	114.8	F121 N161 V162 F197 M221	F121-P159 HydrophobicContact CB-CB 4.3Å; F121-P159 HydrophobicContact CD1-CB 3.33Å; F121-P159 HydrophobicContact CD1-CG 4.11Å; F121-P159 HydrophobicContact CD2-CB 3.82Å; F121-P159 HydrophobicContact CE1-CB 3.42Å; F121-P159 VanDerWaalsContact CE1-CB 3.42Å; F121-P159 HydrophobicContact CE1-CG 3.74Å; F121-P159 HydrophobicContact CE2-CB 3.91Å; F121-P159 HydrophobicContact CG-CB 3.54Å; F121-P159 HydrophobicContact CZ-CB 3.72Å; F121-P159 HydrophobicContact CZ-CG 4.01Å; P159-N161 PolarHBondContact O-N 3.02Å; P159-V162 PolarHBondContact O-N 3.32Å; P159-V162 VanDerWaalsContact O-N 3.12Å; P159-F197 HydrophobicContact CG-CE1 4.38Å; P159-F197 HydrophobicContact CG-CZ 4.1Å; P159-M221 HydrophobicContact CB-CE 4.34Å; P159-M221 HydrophobicContact CG-CE 4.07Å; P159-M221 HydrophobicContact CG-CG 4.02Å; P159-M221 HydrophobicContact CG-SD 4.31Å
160	H	93	Very high	96.6	Very high	142 Å²	142	39.4 Å²	39.4	66%	0.657	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-66.6	-15.7	176.8	-68.8	45	0	0	0	113.7	K158	K158-H160 VanDerWaalsContact C-N 3.29Å; K158-H160 HydrophobicContact CG-CB 4.41Å; K158-H160 PolarHBondContact O-N 3.12Å
161	N	96	Very high	96.5	Very high	9 Å²	9	38.1 Å²	38.1	5%	0.048	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-103.8	9.9	177.9	-71.3	8.4	0	0	0	112	D156 K158 P159 I174	D156-N161 PolarHBondContact O-ND2 3.42Å; D156-N161 PolarHBondContact OD2-ND2 3.02Å; K158-N161 VanDerWaalsContact CE-CG 3.5Å; K158-N161 WeakPolarHBondContact CE-ND2 3.42Å; K158-N161 VanDerWaalsContact CE-OD1 3.25Å; K158-N161 WeakPolarHBondContact CE-OD1 3.43Å; K158-N161 HydrophobicContact CG-CB 4.07Å; K158-N161 PolarHBondContact O-N 3.26Å; P159-N161 PolarHBondContact O-N 3.02Å; N161-I174 HydrophobicContact CB-CG1 4.28Å; N161-I174 WeakPolarHBondContact CB-O 3.03Å; N161-I174 VanDerWaalsContact O-CG1 3.25Å; N161-I174 WeakPolarHBondContact O-CG1 3.42Å; N161-I174 PolarHBondContact O-N 3.08Å
162	V	96.3	Very high	96.5	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.018	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	104.1	176.6	177.7	0	0	0	0	108.3	I140 P159 I164 L171 L173 M221	I140-V162 HydrophobicContact CD1-CG1 4.1Å; I140-V162 HydrophobicContact CD1-CG2 4.27Å; I140-V162 HydrophobicContact CG1-CG1 4.06Å; I140-V162 HydrophobicContact CG1-CG2 4.34Å; P159-V162 PolarHBondContact O-N 3.32Å; P159-V162 VanDerWaalsContact O-N 3.12Å; V162-I164 HydrophobicContact CG1-CD1 4.15Å; V162-I164 HydrophobicContact CG1-CG1 4Å; V162-L171 HydrophobicContact CG1-CD1 3.6Å; V162-L171 HydrophobicContact CG1-CD2 4.06Å; V162-L171 HydrophobicContact CG1-CG 3.78Å; V162-L173 HydrophobicContact CG2-CD1 4.19Å; V162-M221 HydrophobicContact CG2-CE 4.12Å
163	M	95.6	Very high	96.5	Very high	52 Å²	52	40.5 Å²	40.5	26%	0.256	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	132.6	177.2	-66.7	-72	167.7	0	0	109.7	V116 N118 L171 R172 I174	V116-M163 HydrophobicContact CG1-CB 3.94Å; N118-M163 HydrophobicContact CB-SD 3.53Å; N118-M163 VanDerWaalsContact CB-SD 3.53Å; N118-M163 VanDerWaalsContact OD1-CA 3.25Å; N118-M163 WeakPolarHBondContact OD1-CA 3.14Å; N118-M163 PolarHBondContact OD1-SD 3.09Å; N118-M163 VanDerWaalsContact OD1-SD 3.42Å; M163-L171 CarbonylContact O-C 3.57Å; M163-L171 WeakPolarHBondContact O-CA 3.31Å; M163-R172 HydrophobicContact CB-CB 4.35Å; M163-R172 PolarHBondContact N-O 2.92Å; M163-R172 PolarHBondContact O-N 2.99Å; M163-I174 HydrophobicContact CB-CG2 4.49Å; M163-I174 HydrophobicContact CE-CD1 3.46Å; M163-I174 VanDerWaalsContact CE-CD1 3.46Å; M163-I174 HydrophobicContact CE-CG1 4.48Å; M163-I174 HydrophobicContact CG-CD1 4.07Å; M163-I174 HydrophobicContact CG-CG1 4.22Å; M163-I174 HydrophobicContact CG-CG2 3.85Å
164	I	96.1	Very high	96.4	Very high	4 Å²	4	42 Å²	42	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	117.1	-176.1	-57.8	-179.9	0	0	0	110.7	N118 T119 F121 L124 Y136 V162 H166 K170 L171	N118-I164 WeakPolarHBondContact CA-O 3.35Å; N118-I164 PolarHBondContact OD1-N 2.95Å; T119-I164 PolarHBondContact N-O 3.29Å; F121-I164 HydrophobicContact CD2-CD1 4.44Å; L124-I164 HydrophobicContact CD2-CB 3.97Å; L124-I164 HydrophobicContact CD2-CD1 3.87Å; L124-I164 HydrophobicContact CD2-CG1 4.49Å; L124-I164 HydrophobicContact CD2-CG2 3.71Å; Y136-I164 HydrophobicContact CD1-CD1 4.14Å; Y136-I164 HydrophobicContact CD1-CG1 4.5Å; Y136-I164 HydrophobicContact CD1-CG2 4.05Å; Y136-I164 HydrophobicContact CE1-CG2 3.5Å; Y136-I164 VanDerWaalsContact CE1-CG2 3.5Å; Y136-I164 HydrophobicContact CE2-CG2 4.33Å; Y136-I164 HydrophobicContact CG-CD1 4.1Å; V162-I164 HydrophobicContact CG1-CD1 4.15Å; V162-I164 HydrophobicContact CG1-CG1 4Å; I164-H166 HydrophobicContact CG2-CB 4.36Å; I164-H166 PolarHBondContact O-N 2.9Å; I164-K170 WeakPolarHBondContact CA-O 3.38Å; I164-L171 HydrophobicContact CD1-CD1 4.18Å; I164-L171 HydrophobicContact CG1-CD1 4.04Å; I164-L171 HydrophobicContact CG1-CG 4.35Å
165	D	95.4	Very high	96.3	Very high	15 Å²	15	44.4 Å²	44.4	8%	0.08	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	96.6	161.8	-175.3	-34	0	0	0	106.9	N117 E167 H168 R169 K170	N117-D165 HydrophobicContact CB-CB 4.12Å; N117-D165 WeakPolarHBondContact CB-OD2 3.34Å; N117-D165 PolarHBondContact ND2-OD2 3.22Å; N117-D165 PolarHBondContact O-N 2.95Å; D165-E167 PolarHBondContact OD1-N 3.11Å; D165-H168 VanDerWaalsContact CG-ND1 3.28Å; D165-H168 WeakPolarHBondContact OD1-CB 3.45Å; D165-H168 IonicContact OD1-CG 3.59Å; D165-H168 PolarHBondContact OD1-N 3.45Å; D165-H168 IonicContact OD1-ND1 2.78Å; D165-H168 PolarHBondContact OD1-ND1 3.42Å; D165-H168 IonicContact OD2-CE1 3.52Å; D165-H168 IonicContact OD2-CG 2.72Å; D165-H168 IonicContact OD2-ND1 3.18Å; D165-H168 PolarHBondContact OD2-ND1 3.35Å; D165-R169 CarbonylContact O-C 3.59Å; D165-R169 VanDerWaalsContact O-CA 3.27Å; D165-R169 WeakPolarHBondContact O-CA 3.4Å; D165-R169 PolarHBondContact O-N 2.87Å; D165-K170 HydrophobicContact CB-CB 4.26Å; D165-K170 PolarHBondContact N-O 3.1Å; D165-K170 PolarHBondContact O-N 2.95Å
166	H	94.9	Very high	96.3	Very high	56 Å²	56	44.3 Å²	44.3	26%	0.259	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-31.3	-173.6	-171.5	70.3	0	0	0	112.8	T119 L124 Y136 I164 R169	T119-H166 WeakPolarHBondContact OG1-CB 3.18Å; L124-H166 HydrophobicContact CD1-CB 4.2Å; L124-H166 WeakPolarHBondContact CD1-ND1 3.27Å; L124-H166 HydrophobicContact CD2-CB 4.5Å; Y136-H166 AromaticContact CE2-ND1 3.56Å; Y136-H166 AromaticContact CZ-ND1 3.67Å; Y136-H166 PolarHBondContact OH-ND1 3.34Å; Y136-H166 VanDerWaalsContact OH-ND1 3.08Å; I164-H166 HydrophobicContact CG2-CB 4.36Å; I164-H166 PolarHBondContact O-N 2.9Å; H166-R169 PolarHBondContact O-N 2.89Å
167	E	93.5	Very high	96.2	Very high	164 Å²	164	44 Å²	44	77%	0.766	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-49	177.7	178.8	176.7	-149.2	0	0	111	D165 R169	D165-E167 PolarHBondContact OD1-N 3.11Å; E167-R169 VanDerWaalsContact C-N 3.32Å
168	H	95.3	Very high	96.1	Very high	103 Å²	103	45.7 Å²	45.7	48%	0.477	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	2.2	179.2	-55.9	85	0	0	0	113.3	D165 K170	D165-H168 VanDerWaalsContact CG-ND1 3.28Å; D165-H168 WeakPolarHBondContact OD1-CB 3.45Å; D165-H168 IonicContact OD1-CG 3.59Å; D165-H168 PolarHBondContact OD1-N 3.45Å; D165-H168 IonicContact OD1-ND1 2.78Å; D165-H168 PolarHBondContact OD1-ND1 3.42Å; D165-H168 IonicContact OD2-CE1 3.52Å; D165-H168 IonicContact OD2-CG 2.72Å; D165-H168 IonicContact OD2-ND1 3.18Å; D165-H168 PolarHBondContact OD2-ND1 3.35Å; H168-K170 VanDerWaalsContact C-N 3.26Å; H168-K170 HydrophobicContact CB-CD 4.43Å; H168-K170 HydrophobicContact CB-CG 4.19Å; H168-K170 WeakPolarHBondContact O-CG 3.49Å; H168-K170 PolarHBondContact O-N 3.44Å
169	R	94.5	Very high	96.2	Very high	81 Å²	81	44.5 Å²	44.5	31%	0.306	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	36.9	-175.3	-54.2	-171.4	68.2	84.9	0.9	114.3	D132 F135 D165 H166 E167	D132-R169 IonicContact OD1-CZ 3.68Å; D132-R169 IonicContact OD1-NH1 3.53Å; D132-R169 PolarHBondContact OD1-NH1 2.91Å; D132-R169 IonicContact OD1-NH2 2.71Å; D132-R169 PolarHBondContact OD1-NH2 3.42Å; F135-R169 HydrophobicContact CE1-CB 3.84Å; F135-R169 WeakPolarHBondContact CE1-O 3.34Å; F135-R169 VanDerWaalsContact CG-NH2 3.28Å; F135-R169 HydrophobicContact CZ-CB 3.9Å; D165-R169 CarbonylContact O-C 3.59Å; D165-R169 VanDerWaalsContact O-CA 3.27Å; D165-R169 WeakPolarHBondContact O-CA 3.4Å; D165-R169 PolarHBondContact O-N 2.87Å; H166-R169 PolarHBondContact O-N 2.89Å; E167-R169 VanDerWaalsContact C-N 3.32Å
170	K	96.4	Very high	96.4	Very high	126 Å²	126	45 Å²	45	55%	0.548	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	149.7	-179.8	-61.9	-173.7	-177.9	174.8	0	111.8	I164 D165 H168	I164-K170 WeakPolarHBondContact CA-O 3.38Å; D165-K170 HydrophobicContact CB-CB 4.26Å; D165-K170 PolarHBondContact N-O 3.1Å; D165-K170 PolarHBondContact O-N 2.95Å; H168-K170 VanDerWaalsContact C-N 3.26Å; H168-K170 HydrophobicContact CB-CD 4.43Å; H168-K170 HydrophobicContact CB-CG 4.19Å; H168-K170 WeakPolarHBondContact O-CG 3.49Å; H168-K170 PolarHBondContact O-N 3.44Å
171	L	97.5	Very high	96.7	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	147.8	-178.4	-170.9	142.2	0	0	0	111.3	N93 Y136 E139 I140 V162 M163 I164	N93-L171 HydrophobicContact CB-CD2 4.06Å; N93-L171 PolarHBondContact OD1-O 3.35Å; Y136-L171 HydrophobicContact CD1-CD1 3.82Å; Y136-L171 HydrophobicContact CG-CD1 4.41Å; E139-L171 HydrophobicContact CB-CB 4.16Å; E139-L171 HydrophobicContact CB-CD1 4.22Å; I140-L171 HydrophobicContact CD1-CD1 4.34Å; I140-L171 HydrophobicContact CG1-CD1 3.69Å; I140-L171 HydrophobicContact CG1-CD2 3.94Å; I140-L171 HydrophobicContact CG1-CG 4.47Å; V162-L171 HydrophobicContact CG1-CD1 3.6Å; V162-L171 HydrophobicContact CG1-CD2 4.06Å; V162-L171 HydrophobicContact CG1-CG 3.78Å; M163-L171 CarbonylContact O-C 3.57Å; M163-L171 WeakPolarHBondContact O-CA 3.31Å; I164-L171 HydrophobicContact CD1-CD1 4.18Å; I164-L171 HydrophobicContact CG1-CD1 4.04Å; I164-L171 HydrophobicContact CG1-CG 4.35Å
172	R	98.3	Very high	96.8	Very high	51 Å²	51	38 Å²	38	19%	0.192	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	129.1	170.2	-69.3	-64.5	-168.8	-89	-4	112.2	N93 I94 I95 E114 V116 M163 I174	N93-R172 CarbonylContact O-C 3.56Å; N93-R172 WeakPolarHBondContact O-CA 3.47Å; I94-R172 VanDerWaalsContact O-CD 3.23Å; I94-R172 WeakPolarHBondContact O-CD 3.41Å; I94-R172 PolarHBondContact O-NE 3.28Å; I95-R172 HydrophobicContact CD1-CB 4.19Å; I95-R172 HydrophobicContact CD1-CG 4.15Å; E114-R172 VanDerWaalsContact CD-NE 3.35Å; E114-R172 IonicContact OE1-CZ 3.66Å; E114-R172 IonicContact OE1-NE 3.49Å; E114-R172 PolarHBondContact OE1-NE 3.25Å; E114-R172 IonicContact OE1-NH2 3.59Å; E114-R172 IonicContact OE2-CZ 3.82Å; E114-R172 IonicContact OE2-NE 3.62Å; E114-R172 PolarHBondContact OE2-NE 2.74Å; E114-R172 IonicContact OE2-NH2 2.72Å; E114-R172 PolarHBondContact OE2-NH2 3.2Å; V116-R172 HydrophobicContact CG1-CB 4.44Å; V116-R172 HydrophobicContact CG1-CG 4.11Å; V116-R172 HydrophobicContact CG2-CB 4.46Å; V116-R172 HydrophobicContact CG2-CG 3.87Å; M163-R172 HydrophobicContact CB-CB 4.35Å; M163-R172 PolarHBondContact N-O 2.92Å; M163-R172 PolarHBondContact O-N 2.99Å; R172-I174 HydrophobicContact CB-CG2 4.34Å
173	L	98.4	Very high	96.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	122.4	168.1	-177.2	59.3	0	0	0	109.9	N93 I95 A143 L144 V162 W176	N93-L173 PolarHBondContact O-N 3.36Å; I95-L173 WeakPolarHBondContact CG2-O 3.41Å; I95-L173 PolarHBondContact N-O 3.32Å; A143-L173 HydrophobicContact CB-CB 4.09Å; A143-L173 HydrophobicContact CB-CD2 4.06Å; L144-L173 HydrophobicContact CD2-CD2 3.81Å; V162-L173 HydrophobicContact CG2-CD1 4.19Å; L173-W176 HydrophobicContact CB-CZ2 4.15Å; L173-W176 HydrophobicContact CD2-CH2 3.79Å; L173-W176 HydrophobicContact CD2-CZ2 3.62Å; L173-W176 HydrophobicContact CG-CH2 4.38Å; L173-W176 HydrophobicContact CG-CZ2 3.74Å; L173-W176 PolarHBondContact O-NE1 2.93Å
174	I	97.7	Very high	97.1	Very high	33 Å²	33	38.9 Å²	38.9	17%	0.169	18%	0.18	C	C	.	.			trans	-123.3	171.3	-171.3	69.7	147.3	0	0	0	113.4	I95 H154 N161 M163 R172	I95-I174 HydrophobicContact CB-CG2 3.92Å; I95-I174 HydrophobicContact CD1-CG2 4.15Å; I95-I174 HydrophobicContact CG1-CG2 4.08Å; I95-I174 HydrophobicContact CG2-CB 4.47Å; I95-I174 HydrophobicContact CG2-CG2 4.24Å; H154-I174 PolarHBondContact CE1-O 3.04Å; H154-I174 PolarHBondContact NE2-O 3.06Å; H154-I174 VanDerWaalsContact NE2-O 3.15Å; N161-I174 HydrophobicContact CB-CG1 4.28Å; N161-I174 WeakPolarHBondContact CB-O 3.03Å; N161-I174 VanDerWaalsContact O-CG1 3.25Å; N161-I174 WeakPolarHBondContact O-CG1 3.42Å; N161-I174 PolarHBondContact O-N 3.08Å; M163-I174 HydrophobicContact CB-CG2 4.49Å; M163-I174 HydrophobicContact CE-CD1 3.46Å; M163-I174 VanDerWaalsContact CE-CD1 3.46Å; M163-I174 HydrophobicContact CE-CG1 4.48Å; M163-I174 HydrophobicContact CG-CD1 4.07Å; M163-I174 HydrophobicContact CG-CG1 4.22Å; M163-I174 HydrophobicContact CG-CG2 3.85Å; R172-I174 HydrophobicContact CB-CG2 4.34Å
175	D	96.4	Very high	97.2	Very high	50 Å²	50	40 Å²	40	27%	0.267	19%	0.194	S	C	.	.			trans	61.9	50.2	178.4	-156.9	12.2	0	0	0	115.9	K68 G177	K68-D175 IonicContact NZ-OD1 2.7Å; K68-D175 PolarHBondContact NZ-OD1 2.89Å; D175-G177 PolarHBondContact O-N 2.95Å
176	W	98.2	Very high	97.3	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-57.5	4.7	170.6	-61.5	84.1	0	0	0	115.3	I84 L85 L88 I94 C147 I152 H154 L173 L178 A179	I84-W176 HydrophobicContact CG2-CB 4.13Å; I84-W176 HydrophobicContact CG2-CD2 4.25Å; I84-W176 HydrophobicContact CG2-CE3 3.69Å; I84-W176 HydrophobicContact CG2-CG 4.44Å; L85-W176 HydrophobicContact CD2-CB 4.14Å; L85-W176 HydrophobicContact CD2-CG 3.88Å; L85-W176 HydrophobicContact CG-CB 4.24Å; L85-W176 HydrophobicContact CG-CG 4.46Å; L88-W176 HydrophobicContact CD1-CD2 4.15Å; L88-W176 HydrophobicContact CD1-CE3 3.55Å; L88-W176 HydrophobicContact CD1-CH2 3.69Å; L88-W176 HydrophobicContact CD1-CZ2 4.23Å; L88-W176 HydrophobicContact CD1-CZ3 3.3Å; I94-W176 HydrophobicContact CD1-CH2 3.82Å; I94-W176 HydrophobicContact CD1-CZ2 3.57Å; I94-W176 HydrophobicContact CG2-CZ2 4.09Å; C147-W176 HydrophobicContact CB-CH2 3.54Å; C147-W176 HydrophobicContact CB-CZ3 3.65Å; I152-W176 HydrophobicContact CG2-CE3 4.34Å; I152-W176 HydrophobicContact CG2-CZ3 4.12Å; H154-W176 HydrophobicContact CB-CZ3 4.26Å; H154-W176 AromaticContact CD2-CD2 3.64Å; H154-W176 AromaticContact CD2-CE2 3.82Å; H154-W176 AromaticContact CD2-CE3 3.56Å; H154-W176 AromaticContact CD2-CH2 3.81Å; H154-W176 AromaticContact CD2-CZ2 3.91Å; H154-W176 AromaticContact CD2-CZ3 3.65Å; L173-W176 HydrophobicContact CB-CZ2 4.15Å; L173-W176 HydrophobicContact CD2-CH2 3.79Å; L173-W176 HydrophobicContact CD2-CZ2 3.62Å; L173-W176 HydrophobicContact CG-CH2 4.38Å; L173-W176 HydrophobicContact CG-CZ2 3.74Å; L173-W176 PolarHBondContact O-NE1 2.93Å; W176-L178 PolarHBondContact O-N 2.82Å; W176-A179 HydrophobicContact CB-CB 4.37Å; W176-A179 HydrophobicContact CE3-CB 3.91Å; W176-A179 WeakPolarHBondContact O-CB 3.43Å; W176-A179 PolarHBondContact O-N 3.28Å
177	G	96.8	Very high	97.5	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-65.1	-21.3	179.9	0	0	0	0	0	114.7	K77 E81 D175	K77-G177 VanDerWaalsContact NZ-C 3.32Å; K77-G177 PolarHBondContact NZ-O 3.42Å; E81-G177 WeakPolarHBondContact OE2-CA 3.42Å; D175-G177 PolarHBondContact O-N 2.95Å
178	L	97.3	Very high	97.7	Very high	35 Å²	35	38.4 Å²	38.4	18%	0.183	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-96.2	-6	172	-71.7	-178	0	0	0	114	H154 R155 D156 W176	H154-L178 CarbonylContact O-C 3.55Å; R155-L178 VanDerWaalsContact CZ-O 3.29Å; R155-L178 PolarHBondContact NE-O 2.99Å; R155-L178 PolarHBondContact NH2-O 3.08Å; D156-L178 HydrophobicContact CB-CB 4.07Å; D156-L178 HydrophobicContact CB-CD1 3.89Å; W176-L178 PolarHBondContact O-N 2.82Å
179	A	98.7	Very high	97.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.188	C	C	.	.			trans	-62.8	162.7	178.2	0	0	0	0	0	112.8	R80 I84 I152 M153 H154 W176	R80-A179 PolarHBondContact NE-O 3.45Å; R80-A179 PolarHBondContact NH2-O 2.98Å; I84-A179 HydrophobicContact CD1-CB 3.67Å; I84-A179 HydrophobicContact CG2-CB 4.13Å; I152-A179 HydrophobicContact CG2-CB 4.13Å; M153-A179 CarbonylContact O-C 3.5Å; M153-A179 WeakPolarHBondContact O-CA 3.34Å; M153-A179 WeakPolarHBondContact O-CB 3.41Å; H154-A179 WeakPolarHBondContact O-CA 3.35Å; H154-A179 PolarHBondContact O-N 3.26Å; W176-A179 HydrophobicContact CB-CB 4.37Å; W176-A179 HydrophobicContact CE3-CB 3.91Å; W176-A179 WeakPolarHBondContact O-CB 3.43Å; W176-A179 PolarHBondContact O-N 3.28Å
180	E	98.8	Very high	98	Very high	19 Å²	19	34.9 Å²	34.9	9%	0.089	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	154	177.5	-155.5	87.4	-119.8	0	0	110.5	Y26 R80 I152 M153 R155 Y188	Y26-E180 PolarHBondContact OH-OE1 2.8Å; R80-E180 WeakPolarHBondContact CD-OE1 3.4Å; R80-E180 IonicContact CZ-OE1 2.87Å; R80-E180 IonicContact CZ-OE2 3.85Å; R80-E180 VanDerWaalsContact CZ-OE2 3.26Å; R80-E180 IonicContact NE-OE1 3.16Å; R80-E180 IonicContact NH1-OE1 3.21Å; R80-E180 PolarHBondContact NH1-OE1 3.29Å; R80-E180 IonicContact NH1-OE2 2.64Å; R80-E180 PolarHBondContact NH1-OE2 2.87Å; R80-E180 IonicContact NH2-OE2 2.65Å; I152-E180 CarbonylContact C-O 3.05Å; I152-E180 WeakPolarHBondContact CA-O 3.46Å; M153-E180 HydrophobicContact CE-CB 4.32Å; M153-E180 PolarHBondContact N-O 3.45Å; M153-E180 PolarHBondContact O-N 3.13Å; R155-E180 IonicContact CZ-OE2 3.79Å; R155-E180 IonicContact NH1-OE2 3.58Å; R155-E180 PolarHBondContact NH1-OE2 3.34Å; R155-E180 IonicContact NH2-OE2 3.31Å; R155-E180 PolarHBondContact NH2-OE2 2.82Å; E180-Y188 HydrophobicContact CG-CD1 4.17Å; E180-Y188 HydrophobicContact CG-CE1 4.17Å
181	F	98.8	Very high	98.1	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	139.3	164.4	-64.7	-85.8	0	0	0	110.4	Y23 W24 Y26 K83 I84 N87 G151 I152	Y23-F181 HydrophobicContact CD1-CD1 4.46Å; Y23-F181 HydrophobicContact CD1-CE1 4.08Å; Y23-F181 HydrophobicContact CE1-CD1 4.25Å; Y23-F181 AromaticContact CE1-CE1 3.85Å; Y23-F181 HydrophobicContact CE1-CE1 3.85Å; Y23-F181 WeakPolarHBondContact O-CZ 3.38Å; W24-F181 HydrophobicContact CB-CB 4.2Å; W24-F181 HydrophobicContact CB-CD1 3.72Å; W24-F181 HydrophobicContact CB-CD2 4.27Å; W24-F181 HydrophobicContact CB-CE1 4.15Å; W24-F181 HydrophobicContact CB-CG 3.79Å; Y26-F181 AromaticContact CD1-CD2 3.69Å; Y26-F181 HydrophobicContact CD1-CD2 3.69Å; Y26-F181 AromaticContact CD1-CE2 3.79Å; Y26-F181 HydrophobicContact CD1-CE2 3.79Å; Y26-F181 HydrophobicContact CE1-CD2 4.09Å; K83-F181 HydrophobicContact CG-CZ 4.26Å; I84-F181 HydrophobicContact CD1-CD2 4.43Å; I84-F181 HydrophobicContact CD1-CE2 4.19Å; I84-F181 HydrophobicContact CG1-CD2 4.27Å; I84-F181 HydrophobicContact CG1-CE2 3.59Å; I84-F181 HydrophobicContact CG1-CZ 3.74Å; N87-F181 WeakPolarHBondContact ND2-CE1 3.37Å; N87-F181 WeakPolarHBondContact ND2-CZ 3.34Å; G151-F181 CarbonylContact O-C 3.59Å; G151-F181 WeakPolarHBondContact O-CA 3.48Å; I152-F181 HydrophobicContact CD1-CD1 4.28Å; I152-F181 HydrophobicContact CD1-CE1 3.76Å; I152-F181 HydrophobicContact CD1-CZ 4.27Å; I152-F181 HydrophobicContact CG1-CD1 3.71Å; I152-F181 HydrophobicContact CG1-CE1 3.72Å; I152-F181 HydrophobicContact CG1-CG 4.4Å; I152-F181 HydrophobicContact CG1-CZ 4.4Å
182	Y	98.9	Very high	98	Very high	3 Å²	3	39.5 Å²	39.5	1%	0.012	19%	0.191	C	C	.	.			trans	-89.9	126	172.9	-179.9	-97.1	0	0	0	111.4	A9 T13 N16 G151 M153 P184 Y188 D210 Y211	A9-Y182 HydrophobicContact CB-CD1 4.47Å; A9-Y182 HydrophobicContact CB-CE1 3.82Å; A9-Y182 PolarHBondContact N-OH 2.96Å; T13-Y182 HydrophobicContact CG2-CE1 4.49Å; T13-Y182 WeakPolarHBondContact O-CE1 3.24Å; N16-Y182 PolarHBondContact ND2-N 3.08Å; N16-Y182 PolarHBondContact ND2-O 2.99Å; G151-Y182 PolarHBondContact O-N 2.91Å; M153-Y182 HydrophobicContact CE-CD2 4.06Å; M153-Y182 HydrophobicContact SD-CD2 4.1Å; Y182-P184 HydrophobicContact CE1-CB 4.42Å; Y182-Y188 WeakPolarHBondContact CA-OH 3.4Å; Y182-Y188 HydrophobicContact CD2-CE2 4.14Å; Y182-Y188 WeakPolarHBondContact CD2-OH 3.37Å; Y182-Y188 HydrophobicContact CE2-CE2 4.23Å; Y182-D210 HydrophobicContact CD2-CB 3.92Å; Y182-D210 HydrophobicContact CE2-CB 3.43Å; Y182-D210 VanDerWaalsContact CE2-CB 3.43Å; Y182-Y211 WeakPolarHBondContact CB-OH 3.48Å; Y182-Y211 AromaticContact CD1-CE2 3.92Å; Y182-Y211 HydrophobicContact CD1-CE2 3.92Å; Y182-Y211 AromaticContact CD1-CZ 3.81Å; Y182-Y211 HydrophobicContact CE1-CE2 4.49Å; Y182-Y211 HydrophobicContact CG-CE1 4.24Å; Y182-Y211 HydrophobicContact CG-CE2 4.1Å; Y182-Y211 AromaticContact CG-CZ 3.8Å
183	H	98.7	Very high	97.9	Very high	35 Å²	35	37.7 Å²	37.7	16%	0.162	19%	0.187	C	C	.	.			trans	-121.9	138.4	168	-59.8	-86.3	0	0	0	110.1	W24 G185 Q186 Y188	W24-H183 AromaticContact CD2-CE1 3.49Å; W24-H183 VanDerWaalsContact CD2-CE1 3.49Å; W24-H183 AromaticContact CE3-CE1 3.73Å; W24-H183 AromaticContact CE3-NE2 3.94Å; W24-H183 AromaticContact CG-CE1 3.61Å; H183-G185 PolarHBondContact O-N 3.47Å; H183-Q186 HydrophobicContact CB-CB 4.13Å; H183-Q186 PolarHBondContact CD2-OE1 3.12Å; H183-Q186 PolarHBondContact O-N 3.37Å; H183-Y188 PolarHBondContact N-OH 3.45Å; H183-Y188 PolarHBondContact O-OH 3.19Å
184	P	98.5	Very high	97.8	Very high	37 Å²	37	39.9 Å²	39.9	24%	0.24	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	114.3	-173.7	26.1	-34.4	0	0	0	112.1	T13 Y182	T13-P184 HydrophobicContact CG2-CB 4.34Å; Y182-P184 HydrophobicContact CE1-CB 4.42Å
185	G	97.8	Very high	97.8	Very high	29 Å²	29	42.3 Å²	42.3	30%	0.299	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	8.8	-179.1	0	0	0	0	0	115.3	R8 H183	R8-G185 VanDerWaalsContact NH1-CA 3.25Å; H183-G185 PolarHBondContact O-N 3.47Å
186	Q	98.3	Very high	97.9	Very high	75 Å²	75	43.1 Å²	43.1	35%	0.35	21%	0.21	S	C	.	.			trans	-72.6	140	165.5	173.3	175.4	-24.2	0	0	110.5	H183 Y188	H183-Q186 HydrophobicContact CB-CB 4.13Å; H183-Q186 PolarHBondContact CD2-OE1 3.12Å; H183-Q186 PolarHBondContact O-N 3.37Å; Q186-Y188 HydrophobicContact CB-CE1 4.32Å; Q186-Y188 HydrophobicContact CB-CE2 4.28Å; Q186-Y188 HydrophobicContact CG-CD1 4.27Å; Q186-Y188 HydrophobicContact CG-CE1 3.81Å; Q186-Y188 HydrophobicContact CG-CE2 4.39Å; Q186-Y188 VanDerWaalsContact NE2-CE1 3.32Å; Q186-Y188 WeakPolarHBondContact O-CD2 3.26Å; Q186-Y188 WeakPolarHBondContact O-CE2 3.42Å
187	E	98.6	Very high	97.9	Very high	120 Å²	120	43.9 Å²	43.9	56%	0.561	21%	0.213	S	C	*	.			trans	-87.3	135.2	169.7	-67.9	176	147.8	0	0	110.6	Q207 M208	E187-Q207 HydrophobicContact CB-CB 3.93Å; E187-Q207 HydrophobicContact CG-CB 4.21Å; E187-M208 HydrophobicContact CG-CG 3.82Å
188	Y	98.5	Very high	98	Very high	5 Å²	5	44.3 Å²	44.3	2%	0.02	22%	0.215	C	C	.	.			trans	-119.9	142.6	-178.1	-53.6	-85	0	0	0	111.9	M153 E180 Y182 H183 Q186 V190 Q207 Y209	M153-Y188 HydrophobicContact CE-CD1 3.97Å; M153-Y188 HydrophobicContact CE-CD2 4.28Å; M153-Y188 HydrophobicContact CE-CE1 3.61Å; M153-Y188 HydrophobicContact CE-CE2 3.98Å; M153-Y188 HydrophobicContact CE-CG 4.3Å; E180-Y188 HydrophobicContact CG-CD1 4.17Å; E180-Y188 HydrophobicContact CG-CE1 4.17Å; Y182-Y188 WeakPolarHBondContact CA-OH 3.4Å; Y182-Y188 HydrophobicContact CD2-CE2 4.14Å; Y182-Y188 WeakPolarHBondContact CD2-OH 3.37Å; Y182-Y188 HydrophobicContact CE2-CE2 4.23Å; H183-Y188 PolarHBondContact N-OH 3.45Å; H183-Y188 PolarHBondContact O-OH 3.19Å; Q186-Y188 HydrophobicContact CB-CE1 4.32Å; Q186-Y188 HydrophobicContact CB-CE2 4.28Å; Q186-Y188 HydrophobicContact CG-CD1 4.27Å; Q186-Y188 HydrophobicContact CG-CE1 3.81Å; Q186-Y188 HydrophobicContact CG-CE2 4.39Å; Q186-Y188 VanDerWaalsContact NE2-CE1 3.32Å; Q186-Y188 WeakPolarHBondContact O-CD2 3.26Å; Q186-Y188 WeakPolarHBondContact O-CE2 3.42Å; Y188-V190 PolarHBondContact O-N 2.82Å; Y188-Q207 WeakPolarHBondContact CD2-O 3.34Å; Y188-Q207 PolarHBondContact N-O 3.17Å; Y188-Y209 WeakPolarHBondContact CB-OH 3.24Å; Y188-Y209 HydrophobicContact CD2-CD2 4.41Å; Y188-Y209 HydrophobicContact CD2-CE2 4.33Å; Y188-Y209 VanDerWaalsContact CE2-O 3.31Å; Y188-Y209 WeakPolarHBondContact CE2-O 3.48Å; Y188-Y209 HydrophobicContact CG-CE2 4.29Å
189	N	97.8	Very high	98.1	Very high	100 Å²	100	42.7 Å²	42.7	54%	0.535	21%	0.206	S	C	.	.			trans	-59	122	175.1	-172.4	-27.3	0	0	0	111.4	R191 Y209	N189-R191 VanDerWaalsContact C-N 3.27Å; N189-R191 PolarHBondContact O-N 3.24Å; N189-R191 VanDerWaalsContact OD1-CB 3.23Å; N189-R191 WeakPolarHBondContact OD1-CB 3.46Å; N189-R191 WeakPolarHBondContact OD1-CG 3.48Å; N189-R191 PolarHBondContact OD1-N 3.21Å; N189-Y209 PolarHBondContact O-OH 2.86Å
190	V	98.3	Very high	98.1	Very high	10 Å²	10	42.7 Å²	42.7	6%	0.061	21%	0.206	C	C	.	.	S	Bend	trans	-77.1	-7	-179.3	-62.7	0	0	0	0	114.6	Y188 V192 K198 L202 D205 Q207 Y209	Y188-V190 PolarHBondContact O-N 2.82Å; V190-V192 PolarHBondContact O-N 3.01Å; V190-K198 PolarHBondContact O-NZ 3.18Å; V190-L202 HydrophobicContact CB-CB 4.34Å; V190-L202 HydrophobicContact CB-CD2 4.03Å; V190-L202 HydrophobicContact CG1-CD2 4.09Å; V190-D205 HydrophobicContact CG2-CB 4.49Å; V190-D205 WeakPolarHBondContact CG2-OD1 3.48Å; V190-Q207 HydrophobicContact CG1-CG 4.18Å; V190-Y209 HydrophobicContact CG1-CD1 4.49Å; V190-Y209 HydrophobicContact CG1-CE1 4.16Å
191	R	97.3	Very high	98.1	Very high	217 Å²	217	41.8 Å²	41.8	82%	0.819	20%	0.202	S	C	*	.			trans	-81.5	38.2	-178.6	-53.1	-177	-174.5	-173.6	2	112.5	N189	N189-R191 VanDerWaalsContact C-N 3.27Å; N189-R191 PolarHBondContact O-N 3.24Å; N189-R191 VanDerWaalsContact OD1-CB 3.23Å; N189-R191 WeakPolarHBondContact OD1-CB 3.46Å; N189-R191 WeakPolarHBondContact OD1-CG 3.48Å; N189-R191 PolarHBondContact OD1-N 3.21Å
192	V	97.3	Very high	98.1	Very high	7 Å²	7	42 Å²	42	4%	0.042	20%	0.203	C	C	.	.			trans	-106.8	173.7	173.4	-60.9	0	0	0	0	111.1	R155 V190 K198 L202 L213	R155-V192 HydrophobicContact CB-CB 4.21Å; R155-V192 HydrophobicContact CB-CG2 4.07Å; V190-V192 PolarHBondContact O-N 3.01Å; V192-K198 WeakPolarHBondContact O-CE 3.45Å; V192-K198 PolarHBondContact O-NZ 2.97Å; V192-L202 HydrophobicContact CG2-CD1 3.77Å; V192-L202 HydrophobicContact CG2-CD2 4.09Å; V192-L213 HydrophobicContact CG2-CD2 4.33Å
193	A	95.3	Very high	98.1	Very high	14 Å²	14	42.5 Å²	42.5	12%	0.116	21%	0.206	C	C	.	.	S	Bend	trans	58.6	146.7	-172.9	0	0	0	0	0	117.1	R155 D156 K198 L202	R155-A193 WeakPolarHBondContact O-CA 3.49Å; R155-A193 WeakPolarHBondContact O-CB 3.27Å; R155-A193 PolarHBondContact O-N 3.06Å; D156-A193 WeakPolarHBondContact OD1-CA 3.46Å; A193-K198 HydrophobicContact CB-CG 4.13Å; A193-L202 HydrophobicContact CB-CD1 4.16Å
194	S	95.7	Very high	98.1	Very high	46 Å²	46	41.1 Å²	41.1	32%	0.322	20%	0.2	S	C	.	.			trans	-60.7	138.4	162.5	-82.8	0	0	0	0	111.4	D156 K158 Y196 F197 K198	D156-S194 PolarHBondContact OD1-N 2.77Å; K158-S194 WeakPolarHBondContact CD-OG 3.4Å; K158-S194 PolarHBondContact NZ-OG 3.04Å; S194-Y196 VanDerWaalsContact C-N 3.35Å; S194-Y196 PolarHBondContact O-N 3.39Å; S194-Y196 VanDerWaalsContact O-N 3.08Å; S194-F197 PolarHBondContact O-N 2.8Å; S194-K198 PolarHBondContact O-N 3.37Å
195	R	98.3	Very high	98.1	Very high	84 Å²	84	43.3 Å²	43.3	32%	0.317	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-40.7	-53	-171.8	-173.3	-163.8	-63.3	154	-4.7	114.9	F197 K198 G235 H236 D237 Q241	R195-F197 PolarHBondContact O-N 2.85Å; R195-F197 VanDerWaalsContact O-N 3.13Å; R195-K198 WeakPolarHBondContact O-CB 3.49Å; R195-K198 PolarHBondContact O-N 3.48Å; R195-G235 WeakPolarHBondContact CD-O 3.39Å; R195-G235 PolarHBondContact NH1-O 3.31Å; R195-H236 PolarHBondContact NH1-O 2.78Å; R195-H236 PolarHBondContact NH2-O 3.32Å; R195-D237 WeakPolarHBondContact CD-O 3.36Å; R195-Q241 HydrophobicContact CG-CB 4.19Å; R195-Q241 HydrophobicContact CG-CG 4.17Å
196	Y	98.4	Very high	98.1	Very high	67 Å²	67	42.1 Å²	42.1	26%	0.263	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-67	-13.6	-173.4	-51.1	-44.3	0	0	0	114.7	S194 C220 P231 F233 H234 G235	S194-Y196 VanDerWaalsContact C-N 3.35Å; S194-Y196 PolarHBondContact O-N 3.39Å; S194-Y196 VanDerWaalsContact O-N 3.08Å; Y196-C220 PolarHBondContact O-SG 2.87Å; Y196-P231 HydrophobicContact CD1-CB 4.32Å; Y196-P231 HydrophobicContact CD1-CG 3.93Å; Y196-P231 HydrophobicContact CD2-CB 3.77Å; Y196-P231 HydrophobicContact CD2-CG 3.64Å; Y196-P231 HydrophobicContact CE1-CG 4.14Å; Y196-P231 HydrophobicContact CE2-CB 4.46Å; Y196-P231 HydrophobicContact CE2-CG 3.85Å; Y196-P231 HydrophobicContact CG-CB 3.69Å; Y196-P231 HydrophobicContact CG-CG 3.69Å; Y196-F233 VanDerWaalsContact CD1-O 3.25Å; Y196-F233 WeakPolarHBondContact CD1-O 3.38Å; Y196-H234 AromaticContact CE1-CD2 3.76Å; Y196-H234 AromaticContact CZ-CD2 3.85Å; Y196-H234 PolarHBondContact OH-NE2 2.9Å; Y196-G235 WeakPolarHBondContact CE1-O 3.43Å
197	F	98.6	Very high	98.1	Very high	17 Å²	17	41.9 Å²	41.9	8%	0.075	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-111.8	0.2	-178.2	-54.8	-83.5	0	0	0	112.2	K158 P159 S194 R195 G199 S217 C220 M221	K158-F197 HydrophobicContact CB-CD1 4.21Å; K158-F197 HydrophobicContact CB-CD2 3.62Å; K158-F197 HydrophobicContact CB-CE1 4.34Å; K158-F197 HydrophobicContact CB-CE2 3.75Å; K158-F197 HydrophobicContact CB-CG 3.88Å; K158-F197 HydrophobicContact CB-CZ 4.13Å; P159-F197 HydrophobicContact CG-CE1 4.38Å; P159-F197 HydrophobicContact CG-CZ 4.1Å; S194-F197 PolarHBondContact O-N 2.8Å; R195-F197 PolarHBondContact O-N 2.85Å; R195-F197 VanDerWaalsContact O-N 3.13Å; F197-G199 PolarHBondContact O-N 2.86Å; F197-S217 PolarHBondContact O-OG 3.4Å; F197-S217 VanDerWaalsContact O-OG 3.05Å; F197-C220 HydrophobicContact CD1-CB 3.7Å; F197-C220 HydrophobicContact CE1-CB 4.11Å; F197-M221 HydrophobicContact CD1-CG 4.11Å; F197-M221 HydrophobicContact CE1-CG 3.71Å
198	K	98.8	Very high	98.1	Very high	9 Å²	9	37.2 Å²	37.2	4%	0.039	17%	0.173	C	C	.	.			trans	-62.5	127.5	175.5	-75	-176.6	155.2	-68.5	0	111.2	V190 V192 A193 S194 R195 L202 L203 W216	V190-K198 PolarHBondContact O-NZ 3.18Å; V192-K198 WeakPolarHBondContact O-CE 3.45Å; V192-K198 PolarHBondContact O-NZ 2.97Å; A193-K198 HydrophobicContact CB-CG 4.13Å; S194-K198 PolarHBondContact O-N 3.37Å; R195-K198 WeakPolarHBondContact O-CB 3.49Å; R195-K198 PolarHBondContact O-N 3.48Å; K198-L202 HydrophobicContact CB-CB 4.3Å; K198-L202 HydrophobicContact CB-CD1 4.28Å; K198-L202 HydrophobicContact CG-CB 4.42Å; K198-L202 HydrophobicContact CG-CD1 4.1Å; K198-L203 HydrophobicContact CB-CD2 3.94Å; K198-L203 HydrophobicContact CB-CG 4.24Å; K198-L203 HydrophobicContact CD-CD2 3.64Å; K198-L203 HydrophobicContact CG-CD2 4.46Å; K198-W216 PolarHBondContact O-NE1 3.46Å
199	G	98.7	Very high	98.1	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.173	C	C	.	.			trans	-64.1	150.2	165.2	0	0	0	0	0	111.9	F197 E201 L202	F197-G199 PolarHBondContact O-N 2.86Å; G199-E201 VanDerWaalsContact CA-OE2 3.26Å; G199-E201 WeakPolarHBondContact CA-OE2 3.42Å; G199-E201 PolarHBondContact O-N 3.27Å; G199-L202 WeakPolarHBondContact O-CB 3.25Å; G199-L202 PolarHBondContact O-N 2.68Å
200	P	98.8	Very high	98.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-48.6	-37.6	175.1	-30.8	37.3	0	0	0	114.2	L202 L203 V204 W216 L242 Y307	P200-L202 PolarHBondContact O-N 3.18Å; P200-L203 CarbonylContact O-C 3.52Å; P200-L203 WeakPolarHBondContact O-CA 3.23Å; P200-L203 WeakPolarHBondContact O-CB 3.34Å; P200-L203 PolarHBondContact O-N 3.1Å; P200-V204 WeakPolarHBondContact O-CG2 3.06Å; P200-V204 PolarHBondContact O-N 2.89Å; P200-W216 HydrophobicContact CG-CE3 4.26Å; P200-W216 HydrophobicContact CG-CH2 3.87Å; P200-W216 HydrophobicContact CG-CZ2 4.16Å; P200-W216 HydrophobicContact CG-CZ3 3.91Å; P200-L242 HydrophobicContact CB-CD1 4.29Å; P200-Y307 HydrophobicContact CB-CD1 3.81Å; P200-Y307 HydrophobicContact CB-CE1 4.41Å; P200-Y307 HydrophobicContact CG-CD1 3.62Å; P200-Y307 HydrophobicContact CG-CE1 4.12Å
201	E	98.8	Very high	98.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-52.7	-35.3	173.7	62.5	-86.4	-147.7	0	0	112.7	G199 L203 D205 Y206 Y209 L213 R312	G199-E201 VanDerWaalsContact CA-OE2 3.26Å; G199-E201 WeakPolarHBondContact CA-OE2 3.42Å; G199-E201 PolarHBondContact O-N 3.27Å; E201-L203 VanDerWaalsContact C-N 3.31Å; E201-L203 PolarHBondContact O-N 3.18Å; E201-D205 PolarHBondContact O-N 3.15Å; E201-Y206 HydrophobicContact CB-CD1 4.41Å; E201-Y206 PolarHBondContact O-N 3.36Å; E201-Y209 HydrophobicContact CG-CG 4.39Å; E201-L213 HydrophobicContact CG-CD1 4.48Å; E201-L213 WeakPolarHBondContact OE1-CA 3.11Å; E201-L213 WeakPolarHBondContact OE1-CD1 3.4Å; E201-R312 IonicContact OE1-CZ 2.99Å; E201-R312 IonicContact OE1-NH1 2.72Å; E201-R312 PolarHBondContact OE1-NH1 2.96Å; E201-R312 IonicContact OE1-NH2 3.2Å; E201-R312 IonicContact OE2-CZ 2.68Å; E201-R312 IonicContact OE2-NH1 2.75Å; E201-R312 PolarHBondContact OE2-NH1 3.3Å; E201-R312 IonicContact OE2-NH2 2.67Å; E201-R312 PolarHBondContact OE2-NH2 2.95Å
202	L	98.7	Very high	98.3	Very high	6 Å²	6	22.4 Å²	22.4	3%	0.031	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-83.3	-5.8	177.6	-51.2	-173.2	0	0	0	114.2	V190 V192 A193 K198 G199 P200 Y209 L213	V190-L202 HydrophobicContact CB-CB 4.34Å; V190-L202 HydrophobicContact CB-CD2 4.03Å; V190-L202 HydrophobicContact CG1-CD2 4.09Å; V192-L202 HydrophobicContact CG2-CD1 3.77Å; V192-L202 HydrophobicContact CG2-CD2 4.09Å; A193-L202 HydrophobicContact CB-CD1 4.16Å; K198-L202 HydrophobicContact CB-CB 4.3Å; K198-L202 HydrophobicContact CB-CD1 4.28Å; K198-L202 HydrophobicContact CG-CB 4.42Å; K198-L202 HydrophobicContact CG-CD1 4.1Å; G199-L202 WeakPolarHBondContact O-CB 3.25Å; G199-L202 PolarHBondContact O-N 2.68Å; P200-L202 PolarHBondContact O-N 3.18Å; L202-Y209 HydrophobicContact CD2-CD1 3.76Å; L202-Y209 HydrophobicContact CD2-CE1 3.47Å; L202-Y209 VanDerWaalsContact CD2-CE1 3.47Å; L202-Y209 HydrophobicContact CD2-CG 4.43Å; L202-L213 HydrophobicContact CD1-CD1 3.58Å; L202-L213 HydrophobicContact CD1-CD2 3.99Å; L202-L213 HydrophobicContact CD1-CG 4.42Å; L202-L213 HydrophobicContact CD2-CD1 4.33Å; L202-L213 HydrophobicContact CD2-CD2 4.08Å; L202-L213 HydrophobicContact CG-CD1 3.77Å; L202-L213 HydrophobicContact CG-CD2 4.34Å
203	L	98.7	Very high	98.4	Very high	15 Å²	15	22.1 Å²	22.1	8%	0.079	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-26.3	-178.6	-56.8	176.4	0	0	0	111.4	K198 P200 E201 N238 Q241 L242 I245 F269	K198-L203 HydrophobicContact CB-CD2 3.94Å; K198-L203 HydrophobicContact CB-CG 4.24Å; K198-L203 HydrophobicContact CD-CD2 3.64Å; K198-L203 HydrophobicContact CG-CD2 4.46Å; P200-L203 CarbonylContact O-C 3.52Å; P200-L203 WeakPolarHBondContact O-CA 3.23Å; P200-L203 WeakPolarHBondContact O-CB 3.34Å; P200-L203 PolarHBondContact O-N 3.1Å; E201-L203 VanDerWaalsContact C-N 3.31Å; E201-L203 PolarHBondContact O-N 3.18Å; L203-N238 HydrophobicContact CD2-CB 4.18Å; L203-Q241 HydrophobicContact CD1-CB 4.19Å; L203-Q241 HydrophobicContact CD1-CG 3.85Å; L203-Q241 HydrophobicContact CD2-CB 4.26Å; L203-Q241 HydrophobicContact CD2-CG 4.28Å; L203-L242 HydrophobicContact CB-CB 4.25Å; L203-L242 HydrophobicContact CB-CD1 4.32Å; L203-L242 HydrophobicContact CD1-CB 4.06Å; L203-L242 HydrophobicContact CD1-CD1 4.13Å; L203-I245 HydrophobicContact CD1-CD1 3.7Å; L203-F269 WeakPolarHBondContact O-CE2 3.35Å; L203-F269 WeakPolarHBondContact O-CZ 3.46Å
204	V	98.6	Very high	98.6	Very high	6 Å²	6	21.4 Å²	21.4	4%	0.036	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	13.3	173.4	-52.7	0	0	0	0	113.7	P200 Y206 L242 Y257 I263 L265	P200-V204 WeakPolarHBondContact O-CG2 3.06Å; P200-V204 PolarHBondContact O-N 2.89Å; V204-Y206 VanDerWaalsContact C-N 3.32Å; V204-Y206 PolarHBondContact O-N 2.85Å; V204-L242 HydrophobicContact CG1-CD2 3.63Å; V204-Y257 HydrophobicContact CG2-CE1 4.07Å; V204-I263 HydrophobicContact CB-CG2 4.03Å; V204-I263 HydrophobicContact CG2-CD1 3.83Å; V204-I263 HydrophobicContact CG2-CG2 3.9Å; V204-I263 WeakPolarHBondContact O-CG2 3.37Å; V204-L265 HydrophobicContact CB-CD1 4.18Å; V204-L265 HydrophobicContact CG1-CD1 3.73Å
205	D	98.4	Very high	98.7	Very high	83 Å²	83	19.3 Å²	19.3	44%	0.444	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	34.4	-179.8	-144.4	-17.8	0	0	0	115.4	V190 E201 Q207	V190-D205 HydrophobicContact CG2-CB 4.49Å; V190-D205 WeakPolarHBondContact CG2-OD1 3.48Å; E201-D205 PolarHBondContact O-N 3.15Å; D205-Q207 WeakPolarHBondContact O-CG 3.5Å; D205-Q207 PolarHBondContact O-N 3.3Å; D205-Q207 PolarHBondContact OD1-NE2 2.89Å
206	Y	98.6	Very high	98.7	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.016	7%	0.073	C	C	.	.			trans	-80.8	106.2	173.7	-174.8	-98.6	0	0	0	110.7	P4 V5 S7 E201 V204 M208 Y261 I263 H309	P4-Y206 HydrophobicContact CB-CD2 4.29Å; P4-Y206 HydrophobicContact CB-CE2 4.08Å; V5-Y206 WeakPolarHBondContact O-CE2 3.22Å; V5-Y206 PolarHBondContact O-OH 2.96Å; S7-Y206 WeakPolarHBondContact CB-OH 3.41Å; S7-Y206 PolarHBondContact N-OH 2.95Å; S7-Y206 VanDerWaalsContact N-OH 3.1Å; E201-Y206 HydrophobicContact CB-CD1 4.41Å; E201-Y206 PolarHBondContact O-N 3.36Å; V204-Y206 VanDerWaalsContact C-N 3.32Å; V204-Y206 PolarHBondContact O-N 2.85Å; Y206-M208 HydrophobicContact CE1-CB 4.02Å; Y206-Y261 HydrophobicContact CE2-CD1 4.16Å; Y206-Y261 HydrophobicContact CE2-CG 4.25Å; Y206-Y261 AromaticContact CZ-CD1 3.92Å; Y206-I263 HydrophobicContact CD2-CD1 4.1Å; Y206-I263 HydrophobicContact CD2-CG1 3.98Å; Y206-I263 HydrophobicContact CG-CD1 4.35Å; Y206-H309 AromaticContact CE1-CE1 3.67Å
207	Q	98.7	Very high	98.8	Very high	70 Å²	70	12.1 Å²	12.1	33%	0.327	6%	0.061	S	C	.	.			trans	-87.7	-19.2	-165.5	-52.4	-159.1	-6.4	0	0	114.8	E187 Y188 V190 D205 Y209	E187-Q207 HydrophobicContact CB-CB 3.93Å; E187-Q207 HydrophobicContact CG-CB 4.21Å; Y188-Q207 WeakPolarHBondContact CD2-O 3.34Å; Y188-Q207 PolarHBondContact N-O 3.17Å; V190-Q207 HydrophobicContact CG1-CG 4.18Å; D205-Q207 WeakPolarHBondContact O-CG 3.5Å; D205-Q207 PolarHBondContact O-N 3.3Å; D205-Q207 PolarHBondContact OD1-NE2 2.89Å; Q207-Y209 PolarHBondContact O-N 3.11Å; Q207-Y209 VanDerWaalsContact O-N 3.09Å
208	M	98.5	Very high	98.8	Very high	21 Å²	21	11.3 Å²	11.3	10%	0.103	6%	0.057	C	C	.	.			trans	-85.1	42.7	179	-71.1	-177.5	-88.8	0	0	113	P4 P6 S7 E187 Y206	P4-M208 HydrophobicContact CG-CE 4.21Å; P6-M208 HydrophobicContact CB-CE 4.19Å; P6-M208 HydrophobicContact CB-SD 3.79Å; S7-M208 WeakPolarHBondContact CB-O 3.4Å; E187-M208 HydrophobicContact CG-CG 3.82Å; Y206-M208 HydrophobicContact CE1-CB 4.02Å
209	Y	98.8	Very high	98.8	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.056	C	C	.	.			trans	-79	169.8	178.2	65.9	-104.1	0	0	0	113.1	M153 R155 Y188 N189 V190 E201 L202 Q207 L213	M153-Y209 HydrophobicContact CE-CE2 4.47Å; M153-Y209 HydrophobicContact SD-CD2 4.13Å; M153-Y209 HydrophobicContact SD-CE2 4.15Å; R155-Y209 WeakPolarHBondContact CD-OH 3.41Å; R155-Y209 HydrophobicContact CG-CE2 4.46Å; R155-Y209 PolarHBondContact NH1-OH 3.5Å; Y188-Y209 WeakPolarHBondContact CB-OH 3.24Å; Y188-Y209 HydrophobicContact CD2-CD2 4.41Å; Y188-Y209 HydrophobicContact CD2-CE2 4.33Å; Y188-Y209 VanDerWaalsContact CE2-O 3.31Å; Y188-Y209 WeakPolarHBondContact CE2-O 3.48Å; Y188-Y209 HydrophobicContact CG-CE2 4.29Å; N189-Y209 PolarHBondContact O-OH 2.86Å; V190-Y209 HydrophobicContact CG1-CD1 4.49Å; V190-Y209 HydrophobicContact CG1-CE1 4.16Å; E201-Y209 HydrophobicContact CG-CG 4.39Å; L202-Y209 HydrophobicContact CD2-CD1 3.76Å; L202-Y209 HydrophobicContact CD2-CE1 3.47Å; L202-Y209 VanDerWaalsContact CD2-CE1 3.47Å; L202-Y209 HydrophobicContact CD2-CG 4.43Å; Q207-Y209 PolarHBondContact O-N 3.11Å; Q207-Y209 VanDerWaalsContact O-N 3.09Å; Y209-L213 HydrophobicContact CD2-CB 4.37Å; Y209-L213 HydrophobicContact CD2-CD2 3.84Å; Y209-L213 HydrophobicContact CE2-CD2 3.61Å
210	D	98.9	Very high	98.8	Very high	6 Å²	6	10.9 Å²	10.9	3%	0.032	6%	0.056	C	C	.	.			trans	-141.8	-166.6	-177.1	64.1	65.2	0	0	0	112.8	A9 Y182 S212 L213 H309	A9-D210 HydrophobicContact CB-CB 3.8Å; Y182-D210 HydrophobicContact CD2-CB 3.92Å; Y182-D210 HydrophobicContact CE2-CB 3.43Å; Y182-D210 VanDerWaalsContact CE2-CB 3.43Å; D210-S212 PolarHBondContact O-N 2.86Å; D210-S212 VanDerWaalsContact OD1-CB 3.3Å; D210-S212 WeakPolarHBondContact OD1-CB 3.26Å; D210-S212 PolarHBondContact OD1-N 3.42Å; D210-S212 PolarHBondContact OD1-OG 3.16Å; D210-L213 WeakPolarHBondContact O-CB 3.45Å; D210-L213 PolarHBondContact O-N 3.4Å; D210-H309 IonicContact OD2-CD2 2.73Å
211	Y	98.9	Very high	98.7	Very high	6 Å²	6	11 Å²	11	2%	0.024	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-30.6	178.8	-46.5	-70.3	0	0	0	114.8	A9 V11 Y12 H148 M153 Y182 L213 D214	A9-Y211 HydrophobicContact CB-CD2 3.66Å; A9-Y211 HydrophobicContact CB-CE2 3.64Å; V11-Y211 VanDerWaalsContact O-CE2 3.3Å; V11-Y211 WeakPolarHBondContact O-CE2 3.15Å; Y12-Y211 PolarHBondContact O-OH 2.75Å; H148-Y211 HydrophobicContact CB-CD1 3.88Å; H148-Y211 HydrophobicContact CB-CE1 4.38Å; H148-Y211 HydrophobicContact CB-CG 4.11Å; H148-Y211 AromaticContact CD2-CD1 3.7Å; H148-Y211 PolarHBondContact CE1-O 3.4Å; H148-Y211 AromaticContact CG-CD1 3.84Å; H148-Y211 AromaticContact CG-CG 3.99Å; M153-Y211 HydrophobicContact CG-CD1 3.67Å; M153-Y211 HydrophobicContact CG-CE1 4.2Å; M153-Y211 HydrophobicContact CG-CG 4.38Å; Y182-Y211 WeakPolarHBondContact CB-OH 3.48Å; Y182-Y211 AromaticContact CD1-CE2 3.92Å; Y182-Y211 HydrophobicContact CD1-CE2 3.92Å; Y182-Y211 AromaticContact CD1-CZ 3.81Å; Y182-Y211 HydrophobicContact CE1-CE2 4.49Å; Y182-Y211 HydrophobicContact CG-CE1 4.24Å; Y182-Y211 HydrophobicContact CG-CE2 4.1Å; Y182-Y211 AromaticContact CG-CZ 3.8Å; Y211-L213 PolarHBondContact O-N 3.49Å; Y211-L213 VanDerWaalsContact O-N 3.08Å; Y211-D214 PolarHBondContact O-N 2.81Å
212	S	98.9	Very high	98.7	Very high	10 Å²	10	11 Å²	11	7%	0.07	6%	0.056	C	C	.	.	H	α-helix	trans	-60	-13.9	177.1	53.9	0	0	0	0	114.9	D210 M215 W216 H309 R312	D210-S212 PolarHBondContact O-N 2.86Å; D210-S212 VanDerWaalsContact OD1-CB 3.3Å; D210-S212 WeakPolarHBondContact OD1-CB 3.26Å; D210-S212 PolarHBondContact OD1-N 3.42Å; D210-S212 PolarHBondContact OD1-OG 3.16Å; S212-M215 PolarHBondContact O-N 3.05Å; S212-W216 PolarHBondContact O-N 3.47Å; S212-H309 WeakPolarHBondContact CB-O 3.32Å; S212-H309 WeakPolarHBondContact OG-CB 3.33Å; S212-H309 PolarHBondContact OG-O 2.98Å; S212-R312 WeakPolarHBondContact O-CD 3.36Å; S212-R312 PolarHBondContact O-NH1 2.93Å
213	L	98.9	Very high	98.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63.2	-40.4	167.9	171.6	61.3	0	0	0	112.8	R155 V192 E201 L202 Y209 D210 Y211 M215 W216 S217	R155-L213 HydrophobicContact CB-CD2 4.14Å; R155-L213 HydrophobicContact CG-CD2 4.07Å; V192-L213 HydrophobicContact CG2-CD2 4.33Å; E201-L213 HydrophobicContact CG-CD1 4.48Å; E201-L213 WeakPolarHBondContact OE1-CA 3.11Å; E201-L213 WeakPolarHBondContact OE1-CD1 3.4Å; L202-L213 HydrophobicContact CD1-CD1 3.58Å; L202-L213 HydrophobicContact CD1-CD2 3.99Å; L202-L213 HydrophobicContact CD1-CG 4.42Å; L202-L213 HydrophobicContact CD2-CD1 4.33Å; L202-L213 HydrophobicContact CD2-CD2 4.08Å; L202-L213 HydrophobicContact CG-CD1 3.77Å; L202-L213 HydrophobicContact CG-CD2 4.34Å; Y209-L213 HydrophobicContact CD2-CB 4.37Å; Y209-L213 HydrophobicContact CD2-CD2 3.84Å; Y209-L213 HydrophobicContact CE2-CD2 3.61Å; D210-L213 WeakPolarHBondContact O-CB 3.45Å; D210-L213 PolarHBondContact O-N 3.4Å; Y211-L213 PolarHBondContact O-N 3.49Å; Y211-L213 VanDerWaalsContact O-N 3.08Å; L213-M215 VanDerWaalsContact C-N 3.26Å; L213-M215 PolarHBondContact O-N 2.86Å; L213-W216 PolarHBondContact O-N 3.34Å; L213-S217 PolarHBondContact O-N 2.83Å; L213-S217 VanDerWaalsContact O-N 3.15Å; L213-S217 PolarHBondContact O-OG 3.29Å
214	D	98.9	Very high	98.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-68.3	-32.3	178.1	-67.6	-35.3	0	0	0	110.7	L144 H148 H154 R155 V157 Y211 S217 L218	L144-D214 HydrophobicContact CD1-CB 4.43Å; L144-D214 HydrophobicContact CD2-CB 4.13Å; H148-D214 IonicContact CD2-OD2 2.97Å; H148-D214 IonicContact CE1-OD2 3.44Å; H148-D214 IonicContact NE2-OD2 3.17Å; H148-D214 PolarHBondContact NE2-OD2 2.9Å; H154-D214 PolarHBondContact N-OD2 3.31Å; R155-D214 WeakPolarHBondContact CA-OD1 3.35Å; R155-D214 PolarHBondContact N-OD1 3.22Å; V157-D214 HydrophobicContact CG2-CB 3.93Å; Y211-D214 PolarHBondContact O-N 2.81Å; D214-S217 WeakPolarHBondContact O-CB 3.48Å; D214-S217 PolarHBondContact O-N 3.18Å; D214-L218 WeakPolarHBondContact O-CB 3.41Å; D214-L218 PolarHBondContact O-N 2.98Å
215	M	98.9	Very high	98.5	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-69.9	-35.7	178.3	-58	-56	-59.8	0	0	112.6	L141 L144 S212 L213 L218 G219 L304 L313 A315 A318	L141-M215 HydrophobicContact CD2-CE 3.77Å; L141-M215 HydrophobicContact CD2-SD 4.43Å; L144-M215 HydrophobicContact CD1-SD 4.33Å; S212-M215 PolarHBondContact O-N 3.05Å; L213-M215 VanDerWaalsContact C-N 3.26Å; L213-M215 PolarHBondContact O-N 2.86Å; M215-L218 HydrophobicContact CE-CD2 4.08Å; M215-L218 HydrophobicContact SD-CD2 4.47Å; M215-G219 PolarHBondContact O-N 3Å; M215-L304 HydrophobicContact CB-CD2 4.39Å; M215-L304 HydrophobicContact CE-CD2 3.72Å; M215-L313 WeakPolarHBondContact CG-O 3.36Å; M215-A315 HydrophobicContact CE-CB 4.44Å; M215-A315 HydrophobicContact SD-CB 3.91Å; M215-A318 HydrophobicContact CE-CB 3.76Å
216	W	98.9	Very high	98.4	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-63.4	-47.1	167.7	172.6	-83.7	0	0	0	111.7	K198 P200 S212 L213 L218 G219 C220 F233 I245 L249 L305	K198-W216 PolarHBondContact O-NE1 3.46Å; P200-W216 HydrophobicContact CG-CE3 4.26Å; P200-W216 HydrophobicContact CG-CH2 3.87Å; P200-W216 HydrophobicContact CG-CZ2 4.16Å; P200-W216 HydrophobicContact CG-CZ3 3.91Å; S212-W216 PolarHBondContact O-N 3.47Å; L213-W216 PolarHBondContact O-N 3.34Å; W216-L218 VanDerWaalsContact C-N 3.26Å; W216-L218 PolarHBondContact O-N 3.19Å; W216-G219 CarbonylContact O-C 3.56Å; W216-G219 WeakPolarHBondContact O-CA 3.46Å; W216-G219 PolarHBondContact O-N 3.2Å; W216-C220 PolarHBondContact NE1-SG 2.72Å; W216-C220 PolarHBondContact O-N 3.33Å; W216-F233 HydrophobicContact CH2-CE2 4.17Å; W216-F233 HydrophobicContact CZ2-CD2 4.21Å; W216-F233 AromaticContact CZ2-CE2 3.78Å; W216-F233 HydrophobicContact CZ2-CE2 3.78Å; W216-I245 HydrophobicContact CH2-CD1 4.26Å; W216-I245 HydrophobicContact CH2-CG1 4.36Å; W216-I245 HydrophobicContact CH2-CG2 3.61Å; W216-I245 HydrophobicContact CZ2-CD1 3.64Å; W216-I245 HydrophobicContact CZ2-CG1 3.96Å; W216-I245 HydrophobicContact CZ2-CG2 4.08Å; W216-L249 HydrophobicContact CH2-CD1 3.67Å; W216-L249 HydrophobicContact CZ3-CD1 3.8Å; W216-L305 HydrophobicContact CD2-CD2 3.81Å; W216-L305 HydrophobicContact CE3-CD2 3.76Å; W216-L305 HydrophobicContact CG-CD2 4.48Å; W216-L305 HydrophobicContact CH2-CD2 3.99Å; W216-L305 HydrophobicContact CZ2-CD2 4.04Å; W216-L305 HydrophobicContact CZ3-CB 4.17Å; W216-L305 HydrophobicContact CZ3-CD2 3.86Å
217	S	98.8	Very high	98.4	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-58.7	-40.5	-179.7	-55	0	0	0	0	111.4	V157 F197 L213 D214 C220 M221	V157-S217 WeakPolarHBondContact O-CB 3.4Å; F197-S217 PolarHBondContact O-OG 3.4Å; F197-S217 VanDerWaalsContact O-OG 3.05Å; L213-S217 PolarHBondContact O-N 2.83Å; L213-S217 VanDerWaalsContact O-N 3.15Å; L213-S217 PolarHBondContact O-OG 3.29Å; D214-S217 WeakPolarHBondContact O-CB 3.48Å; D214-S217 PolarHBondContact O-N 3.18Å; S217-C220 WeakPolarHBondContact O-CB 3.4Å; S217-C220 PolarHBondContact O-N 2.97Å; S217-M221 PolarHBondContact O-N 3.13Å
218	L	98.8	Very high	98.2	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-63.6	-41.4	171.5	-176.8	68.1	0	0	0	112.4	M137 I140 L141 L144 D214 M215 W216 C220 M221 L222	M137-L218 HydrophobicContact CE-CD1 3.5Å; M137-L218 HydrophobicContact CE-CD2 4.09Å; M137-L218 HydrophobicContact CE-CG 3.56Å; M137-L218 HydrophobicContact SD-CD1 3.71Å; M137-L218 HydrophobicContact SD-CG 4.41Å; I140-L218 HydrophobicContact CB-CD1 4.28Å; I140-L218 HydrophobicContact CD1-CD1 4.4Å; I140-L218 HydrophobicContact CG2-CD1 3.73Å; L141-L218 HydrophobicContact CD2-CD2 3.4Å; L141-L218 HydrophobicContact CG-CD2 3.92Å; L144-L218 HydrophobicContact CD1-CB 4.48Å; L144-L218 HydrophobicContact CD1-CD2 4.11Å; D214-L218 WeakPolarHBondContact O-CB 3.41Å; D214-L218 PolarHBondContact O-N 2.98Å; M215-L218 HydrophobicContact CE-CD2 4.08Å; M215-L218 HydrophobicContact SD-CD2 4.47Å; W216-L218 VanDerWaalsContact C-N 3.26Å; W216-L218 PolarHBondContact O-N 3.19Å; L218-C220 VanDerWaalsContact C-N 3.34Å; L218-C220 PolarHBondContact O-N 2.87Å; L218-M221 WeakPolarHBondContact O-CB 3.45Å; L218-M221 PolarHBondContact O-N 2.89Å; L218-M221 VanDerWaalsContact O-N 3.11Å; L218-L222 PolarHBondContact O-N 3.01Å
219	G	98.8	Very high	98.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-58.2	-41.5	172.1	0	0	0	0	0	113	M215 W216 M221 L222 A223 L301	M215-G219 PolarHBondContact O-N 3Å; W216-G219 CarbonylContact O-C 3.56Å; W216-G219 WeakPolarHBondContact O-CA 3.46Å; W216-G219 PolarHBondContact O-N 3.2Å; G219-M221 VanDerWaalsContact C-N 3.31Å; G219-M221 PolarHBondContact O-N 3.44Å; G219-L222 PolarHBondContact O-N 3.22Å; G219-A223 WeakPolarHBondContact O-CB 3.45Å; G219-A223 PolarHBondContact O-N 3.48Å; G219-L301 VanDerWaalsContact O-CD1 3.27Å; G219-L301 WeakPolarHBondContact O-CD1 3.49Å
220	C	98.6	Very high	97.8	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.007	6%	0.056	C	C	.	.	H	α-helix	trans	-62.5	-35.2	173.1	-73.8	0	0	0	0	113	Y196 F197 W216 S217 L218 S224	Y196-C220 PolarHBondContact O-SG 2.87Å; F197-C220 HydrophobicContact CD1-CB 3.7Å; F197-C220 HydrophobicContact CE1-CB 4.11Å; W216-C220 PolarHBondContact NE1-SG 2.72Å; W216-C220 PolarHBondContact O-N 3.33Å; S217-C220 WeakPolarHBondContact O-CB 3.4Å; S217-C220 PolarHBondContact O-N 2.97Å; L218-C220 VanDerWaalsContact C-N 3.34Å; L218-C220 PolarHBondContact O-N 2.87Å; C220-S224 PolarHBondContact O-N 2.75Å; C220-S224 PolarHBondContact O-OG 2.92Å
221	M	97.7	Very high	97.6	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.01	6%	0.059	C	C	.	.	H	α-helix	trans	-67.9	-48	174.1	-69.9	-178.4	54.7	0	0	111.4	I140 V157 K158 P159 V162 F197 S217 L218 G219 S224 M225	I140-M221 HydrophobicContact CD1-CE 3.95Å; V157-M221 HydrophobicContact CG1-SD 3.96Å; K158-M221 VanDerWaalsContact C-SD 3.54Å; K158-M221 VanDerWaalsContact CA-SD 3.59Å; P159-M221 HydrophobicContact CB-CE 4.34Å; P159-M221 HydrophobicContact CG-CE 4.07Å; P159-M221 HydrophobicContact CG-CG 4.02Å; P159-M221 HydrophobicContact CG-SD 4.31Å; V162-M221 HydrophobicContact CG2-CE 4.12Å; F197-M221 HydrophobicContact CD1-CG 4.11Å; F197-M221 HydrophobicContact CE1-CG 3.71Å; S217-M221 PolarHBondContact O-N 3.13Å; L218-M221 WeakPolarHBondContact O-CB 3.45Å; L218-M221 PolarHBondContact O-N 2.89Å; L218-M221 VanDerWaalsContact O-N 3.11Å; G219-M221 VanDerWaalsContact C-N 3.31Å; G219-M221 PolarHBondContact O-N 3.44Å; M221-S224 PolarHBondContact O-N 2.83Å; M221-M225 HydrophobicContact CB-CE 4.43Å; M221-M225 PolarHBondContact O-N 3.47Å
222	L	98.3	Very high	97.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-59	-50.5	177.5	-179.1	65.8	0	0	0	111.8	I133 M137 L218 G219 S224 M225 I226 F300 L301 L304 Y323	I133-L222 HydrophobicContact CG2-CD1 4.01Å; M137-L222 HydrophobicContact CE-CB 3.73Å; M137-L222 HydrophobicContact CE-CD1 4.11Å; M137-L222 HydrophobicContact CE-CD2 4.32Å; M137-L222 HydrophobicContact CE-CG 4.27Å; M137-L222 HydrophobicContact CG-CD1 4.21Å; M137-L222 HydrophobicContact SD-CB 4.23Å; M137-L222 HydrophobicContact SD-CD1 4.4Å; L218-L222 PolarHBondContact O-N 3.01Å; G219-L222 PolarHBondContact O-N 3.22Å; L222-S224 PolarHBondContact O-N 3.01Å; L222-M225 PolarHBondContact O-N 2.88Å; L222-M225 VanDerWaalsContact O-N 3.1Å; L222-I226 HydrophobicContact CD1-CG2 3.75Å; L222-I226 HydrophobicContact CG-CG2 4.37Å; L222-I226 PolarHBondContact O-N 2.9Å; L222-F300 HydrophobicContact CD2-CD1 3.4Å; L222-F300 VanDerWaalsContact CD2-CD1 3.4Å; L222-F300 HydrophobicContact CD2-CE1 3.69Å; L222-F300 HydrophobicContact CD2-CG 4.3Å; L222-L301 HydrophobicContact CB-CD1 4.16Å; L222-L301 HydrophobicContact CD2-CB 3.91Å; L222-L301 HydrophobicContact CD2-CD1 3.95Å; L222-L301 HydrophobicContact CG-CD1 4.21Å; L222-L304 HydrophobicContact CD2-CD1 4.27Å; L222-Y323 HydrophobicContact CD1-CE1 4.16Å
223	A	98.4	Very high	97.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-58	-36.9	178.3	0	0	0	0	0	112.2	G219 F227 F232 L301 L305	G219-A223 WeakPolarHBondContact O-CB 3.45Å; G219-A223 PolarHBondContact O-N 3.48Å; A223-F227 HydrophobicContact CB-CD2 4.43Å; A223-F227 WeakPolarHBondContact O-CB 3.38Å; A223-F227 WeakPolarHBondContact O-CD2 3.08Å; A223-F227 PolarHBondContact O-N 3.36Å; A223-F232 HydrophobicContact CB-CB 3.84Å; A223-F232 HydrophobicContact CB-CD1 3.73Å; A223-F232 HydrophobicContact CB-CD2 3.8Å; A223-F232 HydrophobicContact CB-CE1 4.25Å; A223-F232 HydrophobicContact CB-CE2 4.33Å; A223-F232 HydrophobicContact CB-CG 3.48Å; A223-F232 VanDerWaalsContact CB-CG 3.48Å; A223-L301 HydrophobicContact CB-CD1 3.88Å; A223-L301 HydrophobicContact CB-CD2 3.76Å; A223-L301 HydrophobicContact CB-CG 4.46Å; A223-L305 HydrophobicContact CB-CD1 4.25Å
224	S	96.7	Very high	97.6	Very high	7 Å²	7	16.7 Å²	16.7	5%	0.049	8%	0.076	C	C	.	.	H	α-helix	trans	-64.9	-54.6	174	-53.9	0	0	0	0	109.6	Y125 C220 M221 L222 F227 R228 K229 F232	Y125-S224 PolarHBondContact OH-O 2.88Å; C220-S224 PolarHBondContact O-N 2.75Å; C220-S224 PolarHBondContact O-OG 2.92Å; M221-S224 PolarHBondContact O-N 2.83Å; L222-S224 PolarHBondContact O-N 3.01Å; S224-F227 PolarHBondContact O-N 3.44Å; S224-R228 CarbonylContact O-C 3.59Å; S224-R228 VanDerWaalsContact O-CA 3.27Å; S224-R228 WeakPolarHBondContact O-CA 3.34Å; S224-R228 PolarHBondContact O-N 3.04Å; S224-K229 WeakPolarHBondContact CA-O 3.29Å; S224-K229 WeakPolarHBondContact CB-O 3.38Å; S224-K229 PolarHBondContact O-N 3.12Å; S224-K229 PolarHBondContact OG-O 2.81Å; S224-F232 PolarHBondContact OG-N 3.32Å
225	M	96.4	Very high	97.5	Very high	6 Å²	6	16.7 Å²	16.7	3%	0.03	8%	0.076	C	C	.	.	H	α-helix	trans	-58	-52.6	-176.3	-72.9	-174.2	-68.6	0	0	113.8	F121 Y125 L128 I133 M137 M221 L222 F227 R228	F121-M225 HydrophobicContact CE2-SD 4.42Å; F121-M225 HydrophobicContact CZ-CG 4.18Å; F121-M225 HydrophobicContact CZ-SD 3.95Å; Y125-M225 HydrophobicContact CD2-CB 4.48Å; Y125-M225 HydrophobicContact CD2-CG 3.64Å; Y125-M225 HydrophobicContact CE2-CB 4.27Å; Y125-M225 HydrophobicContact CE2-CG 3.75Å; L128-M225 HydrophobicContact CD1-SD 3.95Å; I133-M225 HydrophobicContact CD1-CB 4.04Å; I133-M225 HydrophobicContact CG1-CB 4.25Å; I133-M225 HydrophobicContact CG1-SD 4.44Å; I133-M225 HydrophobicContact CG2-CB 4.26Å; I133-M225 HydrophobicContact CG2-CE 4.19Å; I133-M225 HydrophobicContact CG2-SD 4.41Å; M137-M225 HydrophobicContact CG-CE 3.8Å; M137-M225 HydrophobicContact SD-CE 3.45Å; M137-M225 WeakPolarHBondContact SD-CE 3.39Å; M221-M225 HydrophobicContact CB-CE 4.43Å; M221-M225 PolarHBondContact O-N 3.47Å; L222-M225 PolarHBondContact O-N 2.88Å; L222-M225 VanDerWaalsContact O-N 3.1Å; M225-F227 PolarHBondContact O-N 3.07Å; M225-R228 PolarHBondContact O-N 2.81Å
226	I	97.7	Very high	97.5	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-71.9	-30.6	-174.8	71.9	178.4	0	0	0	112.7	I133 L222 V293 A297 L298 L301	I133-I226 HydrophobicContact CD1-CG2 4.43Å; I133-I226 HydrophobicContact CG2-CG2 4.21Å; L222-I226 HydrophobicContact CD1-CG2 3.75Å; L222-I226 HydrophobicContact CG-CG2 4.37Å; L222-I226 PolarHBondContact O-N 2.9Å; I226-V293 HydrophobicContact CB-CG2 4.21Å; I226-V293 HydrophobicContact CG1-CG2 4.43Å; I226-V293 WeakPolarHBondContact O-CG2 3.2Å; I226-A297 HydrophobicContact CD1-CB 4.23Å; I226-L298 HydrophobicContact CD1-CD2 4.23Å; I226-L301 HydrophobicContact CD1-CD2 4.05Å
227	F	97.4	Very high	97.4	Very high	3 Å²	3	26.6 Å²	26.6	1%	0.013	13%	0.125	C	C	.	.	H	α-helix	trans	-94.5	3	176.7	-57.7	-54.1	0	0	0	113.7	A223 S224 M225 K229 F232 W281 F284 V285 N289 V293 L298 L301	A223-F227 HydrophobicContact CB-CD2 4.43Å; A223-F227 WeakPolarHBondContact O-CB 3.38Å; A223-F227 WeakPolarHBondContact O-CD2 3.08Å; A223-F227 PolarHBondContact O-N 3.36Å; S224-F227 PolarHBondContact O-N 3.44Å; M225-F227 PolarHBondContact O-N 3.07Å; F227-K229 HydrophobicContact CB-CB 4.34Å; F227-K229 PolarHBondContact O-N 3.12Å; F227-K229 VanDerWaalsContact O-N 3.08Å; F227-F232 HydrophobicContact CB-CE2 4.5Å; F227-F232 AromaticContact CD2-CD2 3.9Å; F227-F232 HydrophobicContact CD2-CD2 3.9Å; F227-F232 AromaticContact CD2-CE2 3.4Å; F227-F232 HydrophobicContact CD2-CE2 3.4Å; F227-F232 HydrophobicContact CD2-CZ 4.17Å; F227-F232 AromaticContact CE2-CE2 3.96Å; F227-F232 HydrophobicContact CE2-CE2 3.96Å; F227-F232 HydrophobicContact CE2-CZ 4.3Å; F227-F232 HydrophobicContact CG-CE2 4.27Å; F227-W281 AromaticContact CE2-CE3 3.94Å; F227-W281 HydrophobicContact CE2-CE3 3.94Å; F227-W281 HydrophobicContact CE2-CZ3 4.46Å; F227-W281 HydrophobicContact CZ-CB 4.25Å; F227-W281 HydrophobicContact CZ-CE3 4.18Å; F227-F284 HydrophobicContact CB-CB 4.32Å; F227-F284 HydrophobicContact CD1-CB 3.58Å; F227-F284 HydrophobicContact CD2-CB 3.99Å; F227-F284 HydrophobicContact CE1-CB 3.79Å; F227-F284 HydrophobicContact CE2-CB 4.17Å; F227-F284 HydrophobicContact CE2-CD2 4.37Å; F227-F284 HydrophobicContact CG-CB 3.7Å; F227-F284 HydrophobicContact CZ-CB 4.08Å; F227-F284 HydrophobicContact CZ-CD2 4.46Å; F227-V285 HydrophobicContact CE1-CG2 4.04Å; F227-N289 VanDerWaalsContact CA-ND2 3.3Å; F227-N289 WeakPolarHBondContact CA-ND2 3.37Å; F227-N289 PolarHBondContact O-ND2 3.45Å; F227-V293 HydrophobicContact CD1-CG2 4.02Å; F227-V293 HydrophobicContact CE1-CG1 4.48Å; F227-V293 HydrophobicContact CE1-CG2 3.99Å; F227-L298 HydrophobicContact CE1-CD2 3.9Å; F227-L298 HydrophobicContact CZ-CD2 3.59Å; F227-L301 HydrophobicContact CE2-CD2 3.65Å; F227-L301 HydrophobicContact CZ-CD2 4.26Å
228	R	95.6	Very high	97.4	Very high	51 Å²	51	30 Å²	30	19%	0.192	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	25.5	-171.4	-67.3	-63.6	-175.9	94	-5.4	115	Y125 Q126 L128 S224 M225 N289 L292	Y125-R228 VanDerWaalsContact O-CZ 3.3Å; Y125-R228 PolarHBondContact O-NE 3.35Å; Q126-R228 PolarHBondContact O-NH1 2.99Å; Q126-R228 PolarHBondContact O-NH2 3.4Å; Q126-R228 VanDerWaalsContact O-NH2 3.13Å; L128-R228 PolarHBondContact O-NH2 3.07Å; S224-R228 CarbonylContact O-C 3.59Å; S224-R228 VanDerWaalsContact O-CA 3.27Å; S224-R228 WeakPolarHBondContact O-CA 3.34Å; S224-R228 PolarHBondContact O-N 3.04Å; M225-R228 PolarHBondContact O-N 2.81Å; R228-N289 HydrophobicContact CB-CB 4.45Å; R228-N289 HydrophobicContact CG-CB 4.3Å; R228-L292 HydrophobicContact CG-CD1 3.94Å
229	K	95.3	Very high	97.4	Very high	84 Å²	84	33 Å²	33	37%	0.365	16%	0.155	S	C	.	.			trans	-107.9	92.5	-173.4	-172.4	-173.4	177.5	-64.7	0	112.3	Y125 S224 F227 P231 F232	Y125-K229 PolarHBondContact OH-N 3.28Å; S224-K229 WeakPolarHBondContact CA-O 3.29Å; S224-K229 WeakPolarHBondContact CB-O 3.38Å; S224-K229 PolarHBondContact O-N 3.12Å; S224-K229 PolarHBondContact OG-O 2.81Å; F227-K229 HydrophobicContact CB-CB 4.34Å; F227-K229 PolarHBondContact O-N 3.12Å; F227-K229 VanDerWaalsContact O-N 3.08Å; K229-P231 PolarHBondContact NZ-O 2.96Å; K229-P231 CarbonylContact O-C 3.55Å; K229-F232 HydrophobicContact CB-CD2 4.4Å; K229-F232 HydrophobicContact CD-CD2 4.06Å; K229-F232 HydrophobicContact CD-CE2 4.35Å; K229-F232 PolarHBondContact NZ-O 3.09Å; K229-F232 WeakPolarHBondContact O-CA 3.17Å; K229-F232 PolarHBondContact O-N 2.85Å
230	E	92.2	Very high	97.4	Very high	82 Å²	82	34.1 Å²	34.1	38%	0.383	16%	0.161	S	C	.	.	S	Bend	trans	-97.7	126	178.8	-167.1	-178.9	-161.7	0	0	112.2	Y125	Y125-E230 HydrophobicContact CE1-CB 4.33Å; Y125-E230 PolarHBondContact OH-N 3.17Å; Y125-E230 VanDerWaalsContact OH-N 3.13Å
231	P	95.9	Very high	97.4	Very high	14 Å²	14	34.1 Å²	34.1	9%	0.091	16%	0.161	C	C	.	.	S	Bend	cis	-73.9	155.4	-23	33.7	-35.8	0	0	0	111.6	Y196 K229 H234	Y196-P231 HydrophobicContact CD1-CB 4.32Å; Y196-P231 HydrophobicContact CD1-CG 3.93Å; Y196-P231 HydrophobicContact CD2-CB 3.77Å; Y196-P231 HydrophobicContact CD2-CG 3.64Å; Y196-P231 HydrophobicContact CE1-CG 4.14Å; Y196-P231 HydrophobicContact CE2-CB 4.46Å; Y196-P231 HydrophobicContact CE2-CG 3.85Å; Y196-P231 HydrophobicContact CG-CB 3.69Å; Y196-P231 HydrophobicContact CG-CG 3.69Å; K229-P231 PolarHBondContact NZ-O 2.96Å; K229-P231 CarbonylContact O-C 3.55Å; P231-H234 HydrophobicContact CG-CB 3.78Å
232	F	98.1	Very high	97.4	Very high	9 Å²	9	34 Å²	34	4%	0.039	16%	0.16	C	C	.	.	S	Bend	trans	-64.6	-49.3	178.5	-170.8	-100.2	0	0	0	112.3	A223 S224 F227 K229 V248 W281 F284	A223-F232 HydrophobicContact CB-CB 3.84Å; A223-F232 HydrophobicContact CB-CD1 3.73Å; A223-F232 HydrophobicContact CB-CD2 3.8Å; A223-F232 HydrophobicContact CB-CE1 4.25Å; A223-F232 HydrophobicContact CB-CE2 4.33Å; A223-F232 HydrophobicContact CB-CG 3.48Å; A223-F232 VanDerWaalsContact CB-CG 3.48Å; S224-F232 PolarHBondContact OG-N 3.32Å; F227-F232 HydrophobicContact CB-CE2 4.5Å; F227-F232 AromaticContact CD2-CD2 3.9Å; F227-F232 HydrophobicContact CD2-CD2 3.9Å; F227-F232 AromaticContact CD2-CE2 3.4Å; F227-F232 HydrophobicContact CD2-CE2 3.4Å; F227-F232 HydrophobicContact CD2-CZ 4.17Å; F227-F232 AromaticContact CE2-CE2 3.96Å; F227-F232 HydrophobicContact CE2-CE2 3.96Å; F227-F232 HydrophobicContact CE2-CZ 4.3Å; F227-F232 HydrophobicContact CG-CE2 4.27Å; K229-F232 HydrophobicContact CB-CD2 4.4Å; K229-F232 HydrophobicContact CD-CD2 4.06Å; K229-F232 HydrophobicContact CD-CE2 4.35Å; K229-F232 PolarHBondContact NZ-O 3.09Å; K229-F232 WeakPolarHBondContact O-CA 3.17Å; K229-F232 PolarHBondContact O-N 2.85Å; F232-V248 HydrophobicContact CE1-CG1 4.31Å; F232-V248 HydrophobicContact CZ-CG1 4.48Å; F232-W281 AromaticContact CE1-CZ3 3.93Å; F232-W281 HydrophobicContact CE1-CZ3 3.93Å; F232-W281 HydrophobicContact CZ-CE3 4.46Å; F232-W281 AromaticContact CZ-CZ3 3.87Å; F232-W281 HydrophobicContact CZ-CZ3 3.87Å; F232-F284 HydrophobicContact CE2-CD1 4.06Å; F232-F284 HydrophobicContact CE2-CD2 4.29Å; F232-F284 HydrophobicContact CE2-CE1 4.38Å; F232-F284 HydrophobicContact CE2-CG 4.02Å; F232-F284 HydrophobicContact CZ-CD1 4.16Å; F232-F284 AromaticContact CZ-CD2 3.95Å; F232-F284 HydrophobicContact CZ-CD2 3.95Å; F232-F284 HydrophobicContact CZ-CE1 4.1Å; F232-F284 AromaticContact CZ-CE2 3.9Å; F232-F284 HydrophobicContact CZ-CE2 3.9Å; F232-F284 HydrophobicContact CZ-CG 4.1Å; F232-F284 AromaticContact CZ-CZ 3.97Å; F232-F284 HydrophobicContact CZ-CZ 3.97Å
233	F	98.7	Very high	97.4	Very high	3 Å²	3	34.2 Å²	34.2	1%	0.013	16%	0.161	C	C	.	.	S	Bend	trans	-102.1	101.8	171.1	-60.4	-62.6	0	0	0	110.5	Y196 W216 Q241 R244 I245 V248 L305	Y196-F233 VanDerWaalsContact CD1-O 3.25Å; Y196-F233 WeakPolarHBondContact CD1-O 3.38Å; W216-F233 HydrophobicContact CH2-CE2 4.17Å; W216-F233 HydrophobicContact CZ2-CD2 4.21Å; W216-F233 AromaticContact CZ2-CE2 3.78Å; W216-F233 HydrophobicContact CZ2-CE2 3.78Å; F233-Q241 PolarHBondContact O-NE2 3.47Å; F233-Q241 PolarHBondContact O-OE1 3.06Å; F233-R244 HydrophobicContact CB-CB 4.48Å; F233-I245 HydrophobicContact CB-CG1 4.3Å; F233-I245 HydrophobicContact CD1-CB 4.44Å; F233-I245 HydrophobicContact CD1-CG1 3.86Å; F233-I245 HydrophobicContact CD2-CG1 4Å; F233-I245 HydrophobicContact CE1-CB 4.36Å; F233-I245 HydrophobicContact CE1-CG1 4.1Å; F233-I245 HydrophobicContact CE2-CG1 4.23Å; F233-I245 HydrophobicContact CG-CG1 3.8Å; F233-I245 HydrophobicContact CZ-CG1 4.28Å; F233-I245 HydrophobicContact CZ-CG2 4.47Å; F233-V248 HydrophobicContact CD1-CG2 4.44Å; F233-V248 HydrophobicContact CE1-CB 3.91Å; F233-V248 HydrophobicContact CE1-CG1 4.42Å; F233-V248 HydrophobicContact CE1-CG2 3.83Å; F233-L305 HydrophobicContact CE2-CD1 3.9Å; F233-L305 HydrophobicContact CE2-CD2 4.22Å; F233-L305 HydrophobicContact CZ-CD1 4.09Å
234	H	98.4	Very high	97.5	Very high	87 Å²	87	38 Å²	38	40%	0.403	18%	0.176	S	C	.	.			trans	-104	77	-172.8	-162.1	156.3	0	0	0	111.7	Y196 P231	Y196-H234 AromaticContact CE1-CD2 3.76Å; Y196-H234 AromaticContact CZ-CD2 3.85Å; Y196-H234 PolarHBondContact OH-NE2 2.9Å; P231-H234 HydrophobicContact CG-CB 3.78Å
235	G	98.3	Very high	97.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.173	C	C	.	.			trans	-82.5	140	175.4	0	0	0	0	0	113.6	R195 Y196 D237 D240	R195-G235 WeakPolarHBondContact CD-O 3.39Å; R195-G235 PolarHBondContact NH1-O 3.31Å; Y196-G235 WeakPolarHBondContact CE1-O 3.43Å; G235-D237 VanDerWaalsContact C-N 3.32Å; G235-D240 WeakPolarHBondContact CA-OD2 3.41Å
236	H	97.8	Very high	97.7	Very high	134 Å²	134	37.4 Å²	37.4	62%	0.62	17%	0.172	S	C	*	.	S	Bend	trans	-67.5	-31.6	176	-61.6	-54.8	0	0	0	112.8	R195 D240 R244	R195-H236 PolarHBondContact NH1-O 2.78Å; R195-H236 PolarHBondContact NH2-O 3.32Å; H236-D240 IonicContact CD2-OD2 3.64Å; H236-D240 PolarHBondContact CD2-OD2 2.96Å; H236-D240 IonicContact CG-OD2 3.43Å; H236-D240 PolarHBondContact N-OD2 3.07Å; H236-D240 IonicContact NE2-OD2 3.26Å; H236-R244 PolarHBondContact CD2-NH2 3.11Å; H236-R244 PolarHBondContact NE2-NH2 3.35Å
237	D	98.1	Very high	97.7	Very high	75 Å²	75	41.8 Å²	41.8	40%	0.401	19%	0.191	S	C	.	.	S	Bend	trans	-146.6	-169.1	173.1	59.5	56.1	0	0	0	109.9	R195 G235 Y239 D240 Q241	R195-D237 WeakPolarHBondContact CD-O 3.36Å; G235-D237 VanDerWaalsContact C-N 3.32Å; D237-Y239 WeakPolarHBondContact OD1-CA 3.45Å; D237-Y239 WeakPolarHBondContact OD1-CB 3.37Å; D237-Y239 PolarHBondContact OD1-N 3.21Å; D237-D240 PolarHBondContact OD1-N 2.89Å; D237-Q241 WeakPolarHBondContact O-CB 3.21Å; D237-Q241 PolarHBondContact O-N 2.82Å
238	N	98.2	Very high	97.8	Very high	71 Å²	71	42.3 Å²	42.3	38%	0.38	19%	0.194	S	C	.	.	H	α-helix	trans	-71.9	-28.3	-179.4	-67.4	-1.6	0	0	0	113.5	L203 Q241	L203-N238 HydrophobicContact CD2-CB 4.18Å; N238-Q241 WeakPolarHBondContact O-CB 3.39Å
239	Y	98.3	Very high	97.9	Very high	65 Å²	65	40 Å²	40	26%	0.255	19%	0.185	S	C	.	.	H	α-helix	trans	-74.7	-49.9	179.1	-67	-85.6	0	0	0	109.7	D237 Q241 L242 V243 D266 R268 F269	D237-Y239 WeakPolarHBondContact OD1-CA 3.45Å; D237-Y239 WeakPolarHBondContact OD1-CB 3.37Å; D237-Y239 PolarHBondContact OD1-N 3.21Å; Y239-Q241 PolarHBondContact O-N 3.21Å; Y239-L242 PolarHBondContact O-N 2.9Å; Y239-L242 VanDerWaalsContact O-N 3.16Å; Y239-V243 PolarHBondContact O-N 2.76Å; Y239-D266 HydrophobicContact CE1-CB 4.15Å; Y239-D266 WeakPolarHBondContact CE1-OD2 3.24Å; Y239-D266 PolarHBondContact OH-OD2 3.12Å; Y239-R268 HydrophobicContact CD1-CB 4.09Å; Y239-R268 HydrophobicContact CE1-CB 4.03Å; Y239-R268 PolarHBondContact OH-NE 3.28Å; Y239-R268 PolarHBondContact OH-NH2 3.47Å; Y239-F269 HydrophobicContact CD1-CD1 4.16Å; Y239-F269 HydrophobicContact CD1-CD2 4.23Å; Y239-F269 AromaticContact CD1-CE1 3.66Å; Y239-F269 HydrophobicContact CD1-CE1 3.66Å; Y239-F269 AromaticContact CD1-CE2 3.77Å; Y239-F269 HydrophobicContact CD1-CE2 3.77Å; Y239-F269 HydrophobicContact CD1-CG 4.42Å; Y239-F269 AromaticContact CD1-CZ 3.45Å; Y239-F269 HydrophobicContact CD1-CZ 3.45Å; Y239-F269 VanDerWaalsContact CD1-CZ 3.45Å; Y239-F269 HydrophobicContact CE1-CD2 4.36Å; Y239-F269 AromaticContact CE1-CE2 3.83Å; Y239-F269 HydrophobicContact CE1-CE2 3.83Å; Y239-F269 AromaticContact CE1-CZ 3.92Å; Y239-F269 HydrophobicContact CE1-CZ 3.92Å; Y239-F269 HydrophobicContact CG-CE1 4.32Å; Y239-F269 HydrophobicContact CG-CZ 4.3Å
240	D	98.5	Very high	98.1	Very high	23 Å²	23	36 Å²	36	12%	0.123	17%	0.168	C	C	.	.	H	α-helix	trans	-63.5	-27	173.4	-179.7	48.8	0	0	0	112.3	G235 H236 D237 L242 V243 R244	G235-D240 WeakPolarHBondContact CA-OD2 3.41Å; H236-D240 IonicContact CD2-OD2 3.64Å; H236-D240 PolarHBondContact CD2-OD2 2.96Å; H236-D240 IonicContact CG-OD2 3.43Å; H236-D240 PolarHBondContact N-OD2 3.07Å; H236-D240 IonicContact NE2-OD2 3.26Å; D237-D240 PolarHBondContact OD1-N 2.89Å; D240-L242 VanDerWaalsContact C-N 3.34Å; D240-L242 PolarHBondContact O-N 2.74Å; D240-V243 CarbonylContact O-C 3.56Å; D240-V243 WeakPolarHBondContact O-CB 3.3Å; D240-V243 PolarHBondContact O-N 3.18Å; D240-V243 VanDerWaalsContact O-N 3.17Å; D240-R244 VanDerWaalsContact CG-NE 3.32Å; D240-R244 VanDerWaalsContact CG-NH2 3.33Å; D240-R244 WeakPolarHBondContact O-CG 3.28Å; D240-R244 PolarHBondContact O-N 2.89Å; D240-R244 IonicContact OD1-CZ 3.42Å; D240-R244 IonicContact OD1-NE 3.66Å; D240-R244 PolarHBondContact OD1-NE 2.8Å; D240-R244 IonicContact OD1-NH2 3.23Å; D240-R244 PolarHBondContact OD1-NH2 3.41Å; D240-R244 VanDerWaalsContact OD1-NH2 3.16Å; D240-R244 IonicContact OD2-CZ 2.79Å; D240-R244 VanDerWaalsContact OD2-CZ 3.28Å; D240-R244 IonicContact OD2-NE 2.7Å; D240-R244 PolarHBondContact OD2-NE 3.22Å; D240-R244 VanDerWaalsContact OD2-NE 3.12Å; D240-R244 IonicContact OD2-NH2 2.7Å; D240-R244 PolarHBondContact OD2-NH2 3.08Å
241	Q	98.8	Very high	98.4	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-56.8	-45	172.6	-171.2	66.2	27.2	0	0	112.1	R195 L203 F233 D237 N238 Y239 V243 R244 I245	R195-Q241 HydrophobicContact CG-CB 4.19Å; R195-Q241 HydrophobicContact CG-CG 4.17Å; L203-Q241 HydrophobicContact CD1-CB 4.19Å; L203-Q241 HydrophobicContact CD1-CG 3.85Å; L203-Q241 HydrophobicContact CD2-CB 4.26Å; L203-Q241 HydrophobicContact CD2-CG 4.28Å; F233-Q241 PolarHBondContact O-NE2 3.47Å; F233-Q241 PolarHBondContact O-OE1 3.06Å; D237-Q241 WeakPolarHBondContact O-CB 3.21Å; D237-Q241 PolarHBondContact O-N 2.82Å; N238-Q241 WeakPolarHBondContact O-CB 3.39Å; Y239-Q241 PolarHBondContact O-N 3.21Å; Q241-V243 VanDerWaalsContact C-N 3.35Å; Q241-R244 PolarHBondContact O-N 3.39Å; Q241-I245 WeakPolarHBondContact O-CG1 3.33Å; Q241-I245 PolarHBondContact O-N 3.26Å
242	L	98.8	Very high	98.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-68.3	-36.8	176.9	-169.9	62.5	0	0	0	111.3	P200 L203 V204 Y239 D240 R244 I245 A246 L254 F269 L273 Y307	P200-L242 HydrophobicContact CB-CD1 4.29Å; L203-L242 HydrophobicContact CB-CB 4.25Å; L203-L242 HydrophobicContact CB-CD1 4.32Å; L203-L242 HydrophobicContact CD1-CB 4.06Å; L203-L242 HydrophobicContact CD1-CD1 4.13Å; V204-L242 HydrophobicContact CG1-CD2 3.63Å; Y239-L242 PolarHBondContact O-N 2.9Å; Y239-L242 VanDerWaalsContact O-N 3.16Å; D240-L242 VanDerWaalsContact C-N 3.34Å; D240-L242 PolarHBondContact O-N 2.74Å; L242-R244 VanDerWaalsContact C-N 3.32Å; L242-R244 PolarHBondContact O-N 2.82Å; L242-I245 WeakPolarHBondContact O-CB 3.43Å; L242-I245 PolarHBondContact O-N 2.92Å; L242-I245 VanDerWaalsContact O-N 3.11Å; L242-A246 WeakPolarHBondContact O-CB 3.43Å; L242-A246 PolarHBondContact O-N 3.27Å; L242-L254 HydrophobicContact CD1-CD1 4.28Å; L242-L254 HydrophobicContact CD1-CD2 4.48Å; L242-L254 HydrophobicContact CD2-CD2 4.42Å; L242-L254 HydrophobicContact CG-CD2 4.33Å; L242-F269 HydrophobicContact CB-CE1 3.77Å; L242-F269 HydrophobicContact CB-CZ 4.29Å; L242-F269 HydrophobicContact CD2-CD1 4.01Å; L242-F269 HydrophobicContact CD2-CE1 3.6Å; L242-F269 HydrophobicContact CD2-CE2 4.34Å; L242-F269 HydrophobicContact CD2-CZ 3.78Å; L242-F269 HydrophobicContact CG-CE1 4.28Å; L242-L273 HydrophobicContact CB-CD2 4.5Å; L242-L273 HydrophobicContact CD2-CD2 4.15Å; L242-L273 HydrophobicContact CG-CD2 4.03Å; L242-Y307 HydrophobicContact CD1-CE1 4.38Å
243	V	98.6	Very high	98.5	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.024	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-38.2	173.8	178.8	0	0	0	0	111.7	Y239 D240 Q241 I245 A246 K247 I272 L273	Y239-V243 PolarHBondContact O-N 2.76Å; D240-V243 CarbonylContact O-C 3.56Å; D240-V243 WeakPolarHBondContact O-CB 3.3Å; D240-V243 PolarHBondContact O-N 3.18Å; D240-V243 VanDerWaalsContact O-N 3.17Å; Q241-V243 VanDerWaalsContact C-N 3.35Å; V243-I245 VanDerWaalsContact C-N 3.32Å; V243-A246 PolarHBondContact O-N 3.28Å; V243-K247 HydrophobicContact CG1-CD 4Å; V243-K247 VanDerWaalsContact CG1-CE 3.46Å; V243-K247 WeakPolarHBondContact O-CB 3.45Å; V243-K247 WeakPolarHBondContact O-CD 3.34Å; V243-K247 VanDerWaalsContact O-CG 3.28Å; V243-K247 WeakPolarHBondContact O-CG 3.45Å; V243-K247 PolarHBondContact O-N 3.27Å; V243-I272 WeakPolarHBondContact CG1-O 3.47Å; V243-I272 HydrophobicContact CG2-CB 4.01Å; V243-I272 HydrophobicContact CG2-CD1 3.9Å; V243-I272 HydrophobicContact CG2-CG1 3.76Å; V243-I272 WeakPolarHBondContact CG2-O 3.46Å; V243-L273 HydrophobicContact CG2-CD2 4.09Å
244	R	98.7	Very high	98.5	Very high	80 Å²	80	40.7 Å²	40.7	30%	0.302	19%	0.192	S	C	.	.	H	α-helix	trans	-67.5	-32.2	174	-59.8	-43.7	163.4	115.3	5.6	112.7	F233 H236 D240 Q241 L242	F233-R244 HydrophobicContact CB-CB 4.48Å; H236-R244 PolarHBondContact CD2-NH2 3.11Å; H236-R244 PolarHBondContact NE2-NH2 3.35Å; D240-R244 VanDerWaalsContact CG-NE 3.32Å; D240-R244 VanDerWaalsContact CG-NH2 3.33Å; D240-R244 WeakPolarHBondContact O-CG 3.28Å; D240-R244 PolarHBondContact O-N 2.89Å; D240-R244 IonicContact OD1-CZ 3.42Å; D240-R244 IonicContact OD1-NE 3.66Å; D240-R244 PolarHBondContact OD1-NE 2.8Å; D240-R244 IonicContact OD1-NH2 3.23Å; D240-R244 PolarHBondContact OD1-NH2 3.41Å; D240-R244 VanDerWaalsContact OD1-NH2 3.16Å; D240-R244 IonicContact OD2-CZ 2.79Å; D240-R244 VanDerWaalsContact OD2-CZ 3.28Å; D240-R244 IonicContact OD2-NE 2.7Å; D240-R244 PolarHBondContact OD2-NE 3.22Å; D240-R244 VanDerWaalsContact OD2-NE 3.12Å; D240-R244 IonicContact OD2-NH2 2.7Å; D240-R244 PolarHBondContact OD2-NH2 3.08Å; Q241-R244 PolarHBondContact O-N 3.39Å; L242-R244 VanDerWaalsContact C-N 3.32Å; L242-R244 PolarHBondContact O-N 2.82Å
245	I	98.8	Very high	98.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-70.9	-48.8	174.8	-62.8	162.7	0	0	0	110	L203 W216 F233 Q241 L242 V243 K247 V248 L249 Y307	L203-I245 HydrophobicContact CD1-CD1 3.7Å; W216-I245 HydrophobicContact CH2-CD1 4.26Å; W216-I245 HydrophobicContact CH2-CG1 4.36Å; W216-I245 HydrophobicContact CH2-CG2 3.61Å; W216-I245 HydrophobicContact CZ2-CD1 3.64Å; W216-I245 HydrophobicContact CZ2-CG1 3.96Å; W216-I245 HydrophobicContact CZ2-CG2 4.08Å; F233-I245 HydrophobicContact CB-CG1 4.3Å; F233-I245 HydrophobicContact CD1-CB 4.44Å; F233-I245 HydrophobicContact CD1-CG1 3.86Å; F233-I245 HydrophobicContact CD2-CG1 4Å; F233-I245 HydrophobicContact CE1-CB 4.36Å; F233-I245 HydrophobicContact CE1-CG1 4.1Å; F233-I245 HydrophobicContact CE2-CG1 4.23Å; F233-I245 HydrophobicContact CG-CG1 3.8Å; F233-I245 HydrophobicContact CZ-CG1 4.28Å; F233-I245 HydrophobicContact CZ-CG2 4.47Å; Q241-I245 WeakPolarHBondContact O-CG1 3.33Å; Q241-I245 PolarHBondContact O-N 3.26Å; L242-I245 WeakPolarHBondContact O-CB 3.43Å; L242-I245 PolarHBondContact O-N 2.92Å; L242-I245 VanDerWaalsContact O-N 3.11Å; V243-I245 VanDerWaalsContact C-N 3.32Å; I245-K247 VanDerWaalsContact C-N 3.25Å; I245-K247 PolarHBondContact O-N 3.02Å; I245-V248 PolarHBondContact O-N 3.5Å; I245-L249 HydrophobicContact CG2-CD1 3.78Å; I245-L249 HydrophobicContact CG2-CG 4.15Å; I245-L249 PolarHBondContact O-N 3Å; I245-Y307 HydrophobicContact CG2-CE1 3.64Å
246	A	98.7	Very high	98.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-57.2	-33.8	176.3	0	0	0	0	0	113.6	L242 V243 V248 G250 T251 L254 L273 H276 Y307	L242-A246 WeakPolarHBondContact O-CB 3.43Å; L242-A246 PolarHBondContact O-N 3.27Å; V243-A246 PolarHBondContact O-N 3.28Å; A246-V248 PolarHBondContact O-N 3.12Å; A246-G250 CarbonylContact O-C 3.25Å; A246-G250 VanDerWaalsContact O-CA 3.23Å; A246-G250 WeakPolarHBondContact O-CA 3.36Å; A246-G250 PolarHBondContact O-N 2.94Å; A246-T251 HydrophobicContact CB-CG2 4.01Å; A246-L254 HydrophobicContact CB-CD2 4.32Å; A246-L273 HydrophobicContact CB-CD2 4.29Å; A246-H276 WeakPolarHBondContact O-CB 3.39Å; A246-Y307 WeakPolarHBondContact CA-OH 3.42Å; A246-Y307 PolarHBondContact N-OH 3.45Å
247	K	98.5	Very high	98.6	Very high	92 Å²	92	39.3 Å²	39.3	40%	0.4	19%	0.186	S	C	.	.	H	α-helix	trans	-66.8	-13.3	174.7	-77.1	167.3	-177.2	168.1	0	114.2	V243 I245 H276 K279	V243-K247 HydrophobicContact CG1-CD 4Å; V243-K247 VanDerWaalsContact CG1-CE 3.46Å; V243-K247 WeakPolarHBondContact O-CB 3.45Å; V243-K247 WeakPolarHBondContact O-CD 3.34Å; V243-K247 VanDerWaalsContact O-CG 3.28Å; V243-K247 WeakPolarHBondContact O-CG 3.45Å; V243-K247 PolarHBondContact O-N 3.27Å; I245-K247 VanDerWaalsContact C-N 3.25Å; I245-K247 PolarHBondContact O-N 3.02Å; K247-H276 WeakPolarHBondContact CE-NE2 3.05Å; K247-H276 WeakPolarHBondContact CG-CD2 3.37Å; K247-H276 WeakPolarHBondContact CG-NE2 3.32Å; K247-K279 WeakPolarHBondContact O-CE 3.45Å; K247-K279 WeakPolarHBondContact O-CG 3.16Å
248	V	98.7	Very high	98.6	Very high	14 Å²	14	36.3 Å²	36.3	9%	0.085	17%	0.17	C	C	.	.	H	α-helix	trans	-114.1	-56.8	178.9	-176.9	0	0	0	0	112.1	F232 F233 I245 A246 G250 K279 W281 F284	F232-V248 HydrophobicContact CE1-CG1 4.31Å; F232-V248 HydrophobicContact CZ-CG1 4.48Å; F233-V248 HydrophobicContact CD1-CG2 4.44Å; F233-V248 HydrophobicContact CE1-CB 3.91Å; F233-V248 HydrophobicContact CE1-CG1 4.42Å; F233-V248 HydrophobicContact CE1-CG2 3.83Å; I245-V248 PolarHBondContact O-N 3.5Å; A246-V248 PolarHBondContact O-N 3.12Å; V248-G250 VanDerWaalsContact C-N 3.29Å; V248-G250 PolarHBondContact O-N 3.08Å; V248-K279 WeakPolarHBondContact O-CB 3.44Å; V248-K279 PolarHBondContact O-N 3.15Å; V248-W281 HydrophobicContact CG1-CH2 4.17Å; V248-W281 HydrophobicContact CG1-CZ3 3.95Å; V248-F284 HydrophobicContact CB-CZ 4.39Å; V248-F284 HydrophobicContact CG1-CE2 3.76Å; V248-F284 HydrophobicContact CG1-CZ 3.73Å; V248-F284 HydrophobicContact CG2-CZ 3.84Å
249	L	98.7	Very high	98.6	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-78.2	-15.1	-177.4	-60.6	-173.3	0	0	0	113	W216 I245 R278 W281 L305 Y307	W216-L249 HydrophobicContact CH2-CD1 3.67Å; W216-L249 HydrophobicContact CZ3-CD1 3.8Å; I245-L249 HydrophobicContact CG2-CD1 3.78Å; I245-L249 HydrophobicContact CG2-CG 4.15Å; I245-L249 PolarHBondContact O-N 3Å; L249-R278 VanDerWaalsContact O-CB 3.28Å; L249-R278 WeakPolarHBondContact O-CB 3.5Å; L249-R278 VanDerWaalsContact O-CG 3.29Å; L249-R278 WeakPolarHBondContact O-CG 3.41Å; L249-W281 HydrophobicContact CD2-CH2 3.84Å; L249-W281 HydrophobicContact CD2-CZ2 3.84Å; L249-L305 HydrophobicContact CD1-CB 4.46Å; L249-L305 WeakPolarHBondContact CD1-O 3.34Å; L249-L305 HydrophobicContact CD2-CB 4.32Å; L249-L305 WeakPolarHBondContact CD2-O 3.27Å; L249-Y307 HydrophobicContact CB-CD2 4.3Å; L249-Y307 HydrophobicContact CB-CE2 3.43Å; L249-Y307 VanDerWaalsContact CB-CE2 3.43Å; L249-Y307 HydrophobicContact CD1-CD2 4.3Å; L249-Y307 HydrophobicContact CD1-CE2 4.02Å; L249-Y307 HydrophobicContact CG-CE2 4.38Å
250	G	98.6	Very high	98.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.191	C	C	.	.			trans	94.9	166.4	-177	0	0	0	0	0	112.9	A246 V248 H276 Y307	A246-G250 CarbonylContact O-C 3.25Å; A246-G250 VanDerWaalsContact O-CA 3.23Å; A246-G250 WeakPolarHBondContact O-CA 3.36Å; A246-G250 PolarHBondContact O-N 2.94Å; V248-G250 VanDerWaalsContact C-N 3.29Å; V248-G250 PolarHBondContact O-N 3.08Å; G250-H276 CarbonylContact C-O 3.45Å; G250-H276 WeakPolarHBondContact CA-O 3.49Å; G250-Y307 PolarHBondContact O-OH 3.04Å
251	T	98.5	Very high	98.6	Very high	12 Å²	12	39.5 Å²	39.5	7%	0.074	19%	0.186	C	C	.	.	S	Bend	trans	-93.7	-18.5	175.6	48	0	0	0	0	113.1	A246 L254 Y255 H276	A246-T251 HydrophobicContact CB-CG2 4.01Å; T251-L254 PolarHBondContact O-N 3.01Å; T251-Y255 WeakPolarHBondContact O-CD2 3.45Å; T251-Y255 PolarHBondContact O-N 3.13Å; T251-H276 HydrophobicContact CG2-CB 4.19Å; T251-H276 PolarHBondContact N-O 2.78Å; T251-H276 PolarHBondContact OG1-N 3.13Å; T251-H276 PolarHBondContact OG1-O 3.25Å
252	E	98.5	Very high	98.6	Very high	140 Å²	140	42.3 Å²	42.3	65%	0.654	20%	0.201	S	C	*	.	H	α-helix	trans	-67.1	-61.8	-178.4	-162.4	163.5	179.9	0	0	110	L254 Y255 D256	E252-L254 PolarHBondContact O-N 2.71Å; E252-Y255 PolarHBondContact O-N 3.12Å; E252-D256 PolarHBondContact O-N 2.99Å
253	D	98.4	Very high	98.5	Very high	56 Å²	56	43.1 Å²	43.1	30%	0.299	21%	0.205	S	C	.	.	H	α-helix	trans	-51.5	-21.1	171.1	-49.9	24	0	0	0	114.7	Y257 R278 Y307	D253-Y257 WeakPolarHBondContact O-CB 3.18Å; D253-Y257 PolarHBondContact O-N 3.26Å; D253-R278 IonicContact OD2-CZ 3.12Å; D253-R278 IonicContact OD2-NH1 3.13Å; D253-R278 PolarHBondContact OD2-NH1 3.31Å; D253-Y307 HydrophobicContact CB-CD2 3.59Å; D253-Y307 HydrophobicContact CB-CE2 3.89Å; D253-Y307 WeakPolarHBondContact O-CD2 3.25Å
254	L	98.7	Very high	98.5	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-84	-45.5	177.6	173.8	58.3	0	0	0	111.9	L242 A246 T251 E252 Y257 I258 L273 Y307	L242-L254 HydrophobicContact CD1-CD1 4.28Å; L242-L254 HydrophobicContact CD1-CD2 4.48Å; L242-L254 HydrophobicContact CD2-CD2 4.42Å; L242-L254 HydrophobicContact CG-CD2 4.33Å; A246-L254 HydrophobicContact CB-CD2 4.32Å; T251-L254 PolarHBondContact O-N 3.01Å; E252-L254 PolarHBondContact O-N 2.71Å; L254-Y257 PolarHBondContact O-N 2.97Å; L254-I258 HydrophobicContact CD1-CD1 3.93Å; L254-I258 HydrophobicContact CD1-CG1 4.39Å; L254-I258 HydrophobicContact CG-CD1 4.02Å; L254-I258 WeakPolarHBondContact O-CD1 3.26Å; L254-I258 WeakPolarHBondContact O-CG1 3.25Å; L254-I258 PolarHBondContact O-N 2.89Å; L254-L273 HydrophobicContact CD2-CD1 4.04Å; L254-L273 HydrophobicContact CD2-CD2 4.06Å; L254-Y307 HydrophobicContact CB-CD1 4.3Å; L254-Y307 HydrophobicContact CB-CD2 4.25Å; L254-Y307 HydrophobicContact CB-CE1 3.95Å; L254-Y307 HydrophobicContact CB-CE2 3.87Å; L254-Y307 HydrophobicContact CB-CG 4.44Å; L254-Y307 HydrophobicContact CD1-CD1 3.75Å; L254-Y307 HydrophobicContact CD1-CE1 3.68Å; L254-Y307 HydrophobicContact CD1-CG 4.47Å; L254-Y307 HydrophobicContact CD2-CE1 4.37Å; L254-Y307 HydrophobicContact CG-CE1 4.2Å
255	Y	98.4	Very high	98.4	Very high	82 Å²	82	48.5 Å²	48.5	32%	0.322	24%	0.235	S	C	.	.	H	α-helix	trans	-69.1	-39.3	176.4	-68.3	-58.4	0	0	0	110.9	T251 E252 Y257 I258 D259	T251-Y255 WeakPolarHBondContact O-CD2 3.45Å; T251-Y255 PolarHBondContact O-N 3.13Å; E252-Y255 PolarHBondContact O-N 3.12Å; Y255-Y257 PolarHBondContact O-N 2.79Å; Y255-I258 HydrophobicContact CD1-CD1 4.19Å; Y255-I258 PolarHBondContact O-N 3.16Å; Y255-I258 VanDerWaalsContact O-N 3.1Å; Y255-D259 WeakPolarHBondContact O-CB 3.4Å; Y255-D259 PolarHBondContact O-N 2.79Å
256	D	98.6	Very high	98.3	Very high	105 Å²	105	50.4 Å²	50.4	56%	0.561	25%	0.245	S	C	*	.	H	α-helix	trans	-56.6	-38.3	172	-72.5	2	0	0	0	112.3	E252 K260	E252-D256 PolarHBondContact O-N 2.99Å; D256-K260 WeakPolarHBondContact O-CB 3.09Å; D256-K260 PolarHBondContact O-N 3.48Å
257	Y	98.7	Very high	98.2	Very high	5 Å²	5	54.8 Å²	54.8	2%	0.02	27%	0.273	C	S	.	.	H	α-helix	trans	-69.3	-42.6	175.2	167.3	-110.3	0	0	0	112.6	V204 D253 L254 Y255 Y261 I263 D308 H309	V204-Y257 HydrophobicContact CG2-CE1 4.07Å; D253-Y257 WeakPolarHBondContact O-CB 3.18Å; D253-Y257 PolarHBondContact O-N 3.26Å; L254-Y257 PolarHBondContact O-N 2.97Å; Y255-Y257 PolarHBondContact O-N 2.79Å; Y257-Y261 AromaticContact CD2-CD2 3.54Å; Y257-Y261 HydrophobicContact CD2-CD2 3.54Å; Y257-Y261 AromaticContact CD2-CE2 3.64Å; Y257-Y261 HydrophobicContact CD2-CE2 3.64Å; Y257-Y261 AromaticContact CE2-CD2 3.38Å; Y257-Y261 HydrophobicContact CE2-CD2 3.38Å; Y257-Y261 AromaticContact CE2-CE2 3.47Å; Y257-Y261 HydrophobicContact CE2-CE2 3.47Å; Y257-Y261 VanDerWaalsContact CE2-CE2 3.47Å; Y257-Y261 HydrophobicContact CE2-CG 4.46Å; Y257-Y261 WeakPolarHBondContact O-CD2 3Å; Y257-Y261 PolarHBondContact O-N 3.45Å; Y257-I263 HydrophobicContact CD1-CD1 4.22Å; Y257-I263 HydrophobicContact CE1-CD1 3.69Å; Y257-D308 VanDerWaalsContact CD2-CA 3.42Å; Y257-D308 HydrophobicContact CD2-CB 3.94Å; Y257-H309 AromaticContact CE2-ND1 3.61Å
258	I	98.5	Very high	98.1	Very high	12 Å²	12	57.4 Å²	57.4	6%	0.062	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-46.1	177	-74.5	163.5	0	0	0	110.5	L254 Y255 Y261 N262 I263 L265	L254-I258 HydrophobicContact CD1-CD1 3.93Å; L254-I258 HydrophobicContact CD1-CG1 4.39Å; L254-I258 HydrophobicContact CG-CD1 4.02Å; L254-I258 WeakPolarHBondContact O-CD1 3.26Å; L254-I258 WeakPolarHBondContact O-CG1 3.25Å; L254-I258 PolarHBondContact O-N 2.89Å; Y255-I258 HydrophobicContact CD1-CD1 4.19Å; Y255-I258 PolarHBondContact O-N 3.16Å; Y255-I258 VanDerWaalsContact O-N 3.1Å; I258-Y261 PolarHBondContact O-N 2.82Å; I258-N262 WeakPolarHBondContact O-CA 3.23Å; I258-N262 PolarHBondContact O-N 2.92Å; I258-I263 HydrophobicContact CG2-CB 4.26Å; I258-I263 PolarHBondContact O-N 2.75Å; I258-L265 HydrophobicContact CD1-CD1 3.98Å; I258-L265 HydrophobicContact CD1-CD2 4.09Å; I258-L265 HydrophobicContact CD1-CG 4.48Å
259	D	98.4	Very high	98	Very high	123 Å²	123	56.9 Å²	56.9	66%	0.658	28%	0.277	S	S	*	.	H	α-helix	trans	-69	-44.5	179.7	-72.4	-3.5	0	0	0	111.3	Y255 Y261 N262	Y255-D259 WeakPolarHBondContact O-CB 3.4Å; Y255-D259 PolarHBondContact O-N 2.79Å; D259-Y261 PolarHBondContact O-N 3.35Å; D259-Y261 VanDerWaalsContact O-N 3.16Å; D259-N262 PolarHBondContact O-N 3.15Å; D259-N262 VanDerWaalsContact O-N 3.1Å
260	K	98.6	Very high	97.8	Very high	97 Å²	97	62 Å²	62	42%	0.422	30%	0.304	S	S	.	.	H	α-helix	trans	-51.9	-39.2	175.8	175.9	-176	174.5	-167.8	0	112.4	D256 D308	D256-K260 WeakPolarHBondContact O-CB 3.09Å; D256-K260 PolarHBondContact O-N 3.48Å; K260-D308 IonicContact NZ-OD1 3.72Å; K260-D308 PolarHBondContact NZ-OD1 3.19Å; K260-D308 IonicContact NZ-OD2 3.51Å; K260-D308 PolarHBondContact NZ-OD2 2.83Å
261	Y	98.6	Very high	97.6	Very high	5 Å²	5	69.1 Å²	69.1	2%	0.02	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	7.1	-178.3	-67.5	-77.6	0	0	0	114.5	P4 V5 Y206 Y257 I258 D259 I263 D308 H309 Q310	P4-Y261 CarbonylContact C-O 3.46Å; P4-Y261 WeakPolarHBondContact CA-O 3.23Å; V5-Y261 HydrophobicContact CB-CD1 4.38Å; V5-Y261 PolarHBondContact N-O 2.63Å; Y206-Y261 HydrophobicContact CE2-CD1 4.16Å; Y206-Y261 HydrophobicContact CE2-CG 4.25Å; Y206-Y261 AromaticContact CZ-CD1 3.92Å; Y257-Y261 AromaticContact CD2-CD2 3.54Å; Y257-Y261 HydrophobicContact CD2-CD2 3.54Å; Y257-Y261 AromaticContact CD2-CE2 3.64Å; Y257-Y261 HydrophobicContact CD2-CE2 3.64Å; Y257-Y261 AromaticContact CE2-CD2 3.38Å; Y257-Y261 HydrophobicContact CE2-CD2 3.38Å; Y257-Y261 AromaticContact CE2-CE2 3.47Å; Y257-Y261 HydrophobicContact CE2-CE2 3.47Å; Y257-Y261 VanDerWaalsContact CE2-CE2 3.47Å; Y257-Y261 HydrophobicContact CE2-CG 4.46Å; Y257-Y261 WeakPolarHBondContact O-CD2 3Å; Y257-Y261 PolarHBondContact O-N 3.45Å; I258-Y261 PolarHBondContact O-N 2.82Å; D259-Y261 PolarHBondContact O-N 3.35Å; D259-Y261 VanDerWaalsContact O-N 3.16Å; Y261-I263 VanDerWaalsContact C-N 3.34Å; Y261-I263 PolarHBondContact O-N 2.8Å; Y261-D308 VanDerWaalsContact CE2-OD1 3.23Å; Y261-D308 WeakPolarHBondContact CE2-OD1 3.21Å; Y261-D308 PolarHBondContact OH-OD1 3.42Å; Y261-H309 AromaticContact CE1-CE1 3.86Å; Y261-H309 AromaticContact CE2-CE1 3.72Å; Y261-H309 AromaticContact CZ-CE1 3.44Å; Y261-H309 VanDerWaalsContact CZ-CE1 3.44Å; Y261-Q310 WeakPolarHBondContact OH-CG 3.4Å; Y261-Q310 PolarHBondContact OH-NE2 3.27Å
262	N	98.3	Very high	97.5	Very high	60 Å²	60	71.9 Å²	71.9	32%	0.321	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	53	-177.4	-174.9	53.6	0	0	0	112.4	S2 G3 V5 I258 D259	S2-N262 PolarHBondContact O-ND2 3.09Å; S2-N262 PolarHBondContact OG-ND2 3.45Å; G3-N262 PolarHBondContact O-ND2 2.66Å; V5-N262 HydrophobicContact CG2-CB 3.98Å; I258-N262 WeakPolarHBondContact O-CA 3.23Å; I258-N262 PolarHBondContact O-N 2.92Å; D259-N262 PolarHBondContact O-N 3.15Å; D259-N262 VanDerWaalsContact O-N 3.1Å
263	I	98.2	Very high	97.4	Very high	17 Å²	17	65.2 Å²	65.2	9%	0.087	33%	0.325	C	S	.	.			trans	-86.3	123.8	-174.1	-54.9	174.2	0	0	0	110.3	V204 Y206 Y257 I258 Y261 L265	V204-I263 HydrophobicContact CB-CG2 4.03Å; V204-I263 HydrophobicContact CG2-CD1 3.83Å; V204-I263 HydrophobicContact CG2-CG2 3.9Å; V204-I263 WeakPolarHBondContact O-CG2 3.37Å; Y206-I263 HydrophobicContact CD2-CD1 4.1Å; Y206-I263 HydrophobicContact CD2-CG1 3.98Å; Y206-I263 HydrophobicContact CG-CD1 4.35Å; Y257-I263 HydrophobicContact CD1-CD1 4.22Å; Y257-I263 HydrophobicContact CE1-CD1 3.69Å; I258-I263 HydrophobicContact CG2-CB 4.26Å; I258-I263 PolarHBondContact O-N 2.75Å; Y261-I263 VanDerWaalsContact C-N 3.34Å; Y261-I263 PolarHBondContact O-N 2.8Å; I263-L265 PolarHBondContact O-N 2.78Å
264	E	97	Very high	97.3	Very high	169 Å²	169	64.4 Å²	64.4	79%	0.79	33%	0.33	S	S	*	.			trans	-74.9	95.9	172.1	-170.1	174.9	170.2	0	0	110.2
265	L	96.7	Very high	97.2	Very high	29 Å²	29	75.3 Å²	75.3	15%	0.152	37%	0.371	C	S	.	.			trans	-70.6	127.5	-178.9	-171.2	70.5	0	0	0	111.3	V204 I258 I263 F269 L273	V204-L265 HydrophobicContact CB-CD1 4.18Å; V204-L265 HydrophobicContact CG1-CD1 3.73Å; I258-L265 HydrophobicContact CD1-CD1 3.98Å; I258-L265 HydrophobicContact CD1-CD2 4.09Å; I258-L265 HydrophobicContact CD1-CG 4.48Å; I263-L265 PolarHBondContact O-N 2.78Å; L265-F269 HydrophobicContact CD1-CB 4.23Å; L265-F269 HydrophobicContact CD1-CD2 3.46Å; L265-F269 VanDerWaalsContact CD1-CD2 3.46Å; L265-F269 HydrophobicContact CD1-CE2 4.03Å; L265-F269 HydrophobicContact CD1-CG 4Å; L265-F269 HydrophobicContact CD2-CB 3.73Å; L265-F269 HydrophobicContact CD2-CD2 4.5Å; L265-F269 HydrophobicContact CD2-CG 4.4Å; L265-F269 HydrophobicContact CG-CB 3.88Å; L265-F269 HydrophobicContact CG-CD2 3.78Å; L265-F269 HydrophobicContact CG-CG 4.16Å; L265-L273 HydrophobicContact CD2-CD1 4.03Å
266	D	97.2	Very high	97.2	Very high	40 Å²	40	74 Å²	74	21%	0.214	37%	0.368	C	S	.	.			trans	-51.6	123	176	-176.1	-39	0	0	0	110.9	Y239 R268 F269	Y239-D266 HydrophobicContact CE1-CB 4.15Å; Y239-D266 WeakPolarHBondContact CE1-OD2 3.24Å; Y239-D266 PolarHBondContact OH-OD2 3.12Å; D266-R268 PolarHBondContact O-N 3.44Å; D266-R268 WeakPolarHBondContact OD1-CB 3.37Å; D266-R268 IonicContact OD1-CZ 3.63Å; D266-R268 PolarHBondContact OD1-N 3.38Å; D266-R268 VanDerWaalsContact OD1-N 3.08Å; D266-R268 IonicContact OD1-NE 3.29Å; D266-R268 PolarHBondContact OD1-NE 3.25Å; D266-R268 IonicContact OD1-NH2 2.83Å; D266-R268 IonicContact OD2-CZ 3.92Å; D266-R268 VanDerWaalsContact OD2-CZ 3.23Å; D266-R268 IonicContact OD2-NE 2.63Å; D266-R268 PolarHBondContact OD2-NE 3.18Å; D266-R268 VanDerWaalsContact OD2-NE 3.16Å; D266-R268 IonicContact OD2-NH2 3.43Å; D266-R268 PolarHBondContact OD2-NH2 3.06Å; D266-F269 HydrophobicContact CB-CD2 3.86Å; D266-F269 HydrophobicContact CB-CE2 4.04Å; D266-F269 WeakPolarHBondContact O-CB 3.37Å; D266-F269 WeakPolarHBondContact O-CD2 3.21Å; D266-F269 PolarHBondContact O-N 2.87Å
267	P	96.8	Very high	97.2	Very high	91 Å²	91	72.8 Å²	72.8	59%	0.591	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-54.5	-20.4	-174.3	-30.7	36.3	0	0	0	115.5	F269 N270	P267-F269 PolarHBondContact O-N 2.93Å; P267-N270 WeakPolarHBondContact O-CB 3.22Å; P267-N270 VanDerWaalsContact O-CG 3.27Å; P267-N270 PolarHBondContact O-N 3.19Å; P267-N270 PolarHBondContact O-ND2 3.42Å
268	R	96.3	Very high	97.2	Very high	148 Å²	148	76.3 Å²	76.3	56%	0.558	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-61.4	-20	172.7	-73.6	172	-80.3	-160.4	-9.2	114	Y239 D266 I272	Y239-R268 HydrophobicContact CD1-CB 4.09Å; Y239-R268 HydrophobicContact CE1-CB 4.03Å; Y239-R268 PolarHBondContact OH-NE 3.28Å; Y239-R268 PolarHBondContact OH-NH2 3.47Å; D266-R268 PolarHBondContact O-N 3.44Å; D266-R268 WeakPolarHBondContact OD1-CB 3.37Å; D266-R268 IonicContact OD1-CZ 3.63Å; D266-R268 PolarHBondContact OD1-N 3.38Å; D266-R268 VanDerWaalsContact OD1-N 3.08Å; D266-R268 IonicContact OD1-NE 3.29Å; D266-R268 PolarHBondContact OD1-NE 3.25Å; D266-R268 IonicContact OD1-NH2 2.83Å; D266-R268 IonicContact OD2-CZ 3.92Å; D266-R268 VanDerWaalsContact OD2-CZ 3.23Å; D266-R268 IonicContact OD2-NE 2.63Å; D266-R268 PolarHBondContact OD2-NE 3.18Å; D266-R268 VanDerWaalsContact OD2-NE 3.16Å; D266-R268 IonicContact OD2-NH2 3.43Å; D266-R268 PolarHBondContact OD2-NH2 3.06Å; R268-I272 WeakPolarHBondContact O-CD1 3.48Å; R268-I272 WeakPolarHBondContact O-CG1 3.48Å
269	F	97.2	Very high	97.2	Very high	2 Å²	2	77.7 Å²	77.7	1%	0.009	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-74.5	-24.4	177.1	-75.8	-63.2	0	0	0	113.8	L203 Y239 L242 L265 D266 P267 D271 I272 L273	L203-F269 WeakPolarHBondContact O-CE2 3.35Å; L203-F269 WeakPolarHBondContact O-CZ 3.46Å; Y239-F269 HydrophobicContact CD1-CD1 4.16Å; Y239-F269 HydrophobicContact CD1-CD2 4.23Å; Y239-F269 AromaticContact CD1-CE1 3.66Å; Y239-F269 HydrophobicContact CD1-CE1 3.66Å; Y239-F269 AromaticContact CD1-CE2 3.77Å; Y239-F269 HydrophobicContact CD1-CE2 3.77Å; Y239-F269 HydrophobicContact CD1-CG 4.42Å; Y239-F269 AromaticContact CD1-CZ 3.45Å; Y239-F269 HydrophobicContact CD1-CZ 3.45Å; Y239-F269 VanDerWaalsContact CD1-CZ 3.45Å; Y239-F269 HydrophobicContact CE1-CD2 4.36Å; Y239-F269 AromaticContact CE1-CE2 3.83Å; Y239-F269 HydrophobicContact CE1-CE2 3.83Å; Y239-F269 AromaticContact CE1-CZ 3.92Å; Y239-F269 HydrophobicContact CE1-CZ 3.92Å; Y239-F269 HydrophobicContact CG-CE1 4.32Å; Y239-F269 HydrophobicContact CG-CZ 4.3Å; L242-F269 HydrophobicContact CB-CE1 3.77Å; L242-F269 HydrophobicContact CB-CZ 4.29Å; L242-F269 HydrophobicContact CD2-CD1 4.01Å; L242-F269 HydrophobicContact CD2-CE1 3.6Å; L242-F269 HydrophobicContact CD2-CE2 4.34Å; L242-F269 HydrophobicContact CD2-CZ 3.78Å; L242-F269 HydrophobicContact CG-CE1 4.28Å; L265-F269 HydrophobicContact CD1-CB 4.23Å; L265-F269 HydrophobicContact CD1-CD2 3.46Å; L265-F269 VanDerWaalsContact CD1-CD2 3.46Å; L265-F269 HydrophobicContact CD1-CE2 4.03Å; L265-F269 HydrophobicContact CD1-CG 4Å; L265-F269 HydrophobicContact CD2-CB 3.73Å; L265-F269 HydrophobicContact CD2-CD2 4.5Å; L265-F269 HydrophobicContact CD2-CG 4.4Å; L265-F269 HydrophobicContact CG-CB 3.88Å; L265-F269 HydrophobicContact CG-CD2 3.78Å; L265-F269 HydrophobicContact CG-CG 4.16Å; D266-F269 HydrophobicContact CB-CD2 3.86Å; D266-F269 HydrophobicContact CB-CE2 4.04Å; D266-F269 WeakPolarHBondContact O-CB 3.37Å; D266-F269 WeakPolarHBondContact O-CD2 3.21Å; D266-F269 PolarHBondContact O-N 2.87Å; P267-F269 PolarHBondContact O-N 2.93Å; F269-D271 VanDerWaalsContact C-N 3.31Å; F269-D271 PolarHBondContact O-N 2.99Å; F269-I272 HydrophobicContact CD1-CD1 3.98Å; F269-I272 HydrophobicContact CD1-CG1 4.29Å; F269-I272 HydrophobicContact CE1-CD1 4.46Å; F269-I272 PolarHBondContact O-N 3.17Å; F269-L273 HydrophobicContact CB-CD1 3.85Å; F269-L273 HydrophobicContact CB-CG 4.08Å; F269-L273 HydrophobicContact CD1-CD1 4.35Å; F269-L273 HydrophobicContact CD1-CD2 4.15Å; F269-L273 HydrophobicContact CD1-CG 4.09Å; F269-L273 HydrophobicContact CG-CD1 4.36Å; F269-L273 HydrophobicContact CG-CG 4.49Å; F269-L273 PolarHBondContact O-N 2.72Å; F269-L273 VanDerWaalsContact O-N 3.1Å
270	N	93.1	Very high	97.2	Very high	108 Å²	108	80.1 Å²	80.1	58%	0.578	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-44	-174.4	-65.7	-16.5	0	0	0	112.6	P267	P267-N270 WeakPolarHBondContact O-CB 3.22Å; P267-N270 VanDerWaalsContact O-CG 3.27Å; P267-N270 PolarHBondContact O-N 3.19Å; P267-N270 PolarHBondContact O-ND2 3.42Å
271	D	94.4	Very high	97.2	Very high	151 Å²	151	76.2 Å²	76.2	81%	0.807	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-11.6	-174.6	-58.1	-45.8	0	0	0	113.9	F269	F269-D271 VanDerWaalsContact C-N 3.31Å; F269-D271 PolarHBondContact O-N 2.99Å
272	I	97	Very high	97.1	Very high	69 Å²	69	80 Å²	80	35%	0.354	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-24.6	-166.8	66.1	175.6	0	0	0	115.3	V243 R268 F269	V243-I272 WeakPolarHBondContact CG1-O 3.47Å; V243-I272 HydrophobicContact CG2-CB 4.01Å; V243-I272 HydrophobicContact CG2-CD1 3.9Å; V243-I272 HydrophobicContact CG2-CG1 3.76Å; V243-I272 WeakPolarHBondContact CG2-O 3.46Å; R268-I272 WeakPolarHBondContact O-CD1 3.48Å; R268-I272 WeakPolarHBondContact O-CG1 3.48Å; F269-I272 HydrophobicContact CD1-CD1 3.98Å; F269-I272 HydrophobicContact CD1-CG1 4.29Å; F269-I272 HydrophobicContact CE1-CD1 4.46Å; F269-I272 PolarHBondContact O-N 3.17Å
273	L	97.2	Very high	97.1	Very high	0 Å²	0	86.1 Å²	86.1	0%	0	41%	0.406	C	S	.	.	S	Bend	trans	-71	-36.7	177.8	-72.7	178	0	0	0	112.2	L242 V243 A246 L254 L265 F269	L242-L273 HydrophobicContact CB-CD2 4.5Å; L242-L273 HydrophobicContact CD2-CD2 4.15Å; L242-L273 HydrophobicContact CG-CD2 4.03Å; V243-L273 HydrophobicContact CG2-CD2 4.09Å; A246-L273 HydrophobicContact CB-CD2 4.29Å; L254-L273 HydrophobicContact CD2-CD1 4.04Å; L254-L273 HydrophobicContact CD2-CD2 4.06Å; L265-L273 HydrophobicContact CD2-CD1 4.03Å; F269-L273 HydrophobicContact CB-CD1 3.85Å; F269-L273 HydrophobicContact CB-CG 4.08Å; F269-L273 HydrophobicContact CD1-CD1 4.35Å; F269-L273 HydrophobicContact CD1-CD2 4.15Å; F269-L273 HydrophobicContact CD1-CG 4.09Å; F269-L273 HydrophobicContact CG-CD1 4.36Å; F269-L273 HydrophobicContact CG-CG 4.49Å; F269-L273 PolarHBondContact O-N 2.72Å; F269-L273 VanDerWaalsContact O-N 3.1Å
274	G	95.5	Very high	97.1	Very high	40 Å²	40	87.2 Å²	87.2	41%	0.412	41%	0.41	S	S	.	.			trans	60.5	-143.5	-177.5	0	0	0	0	0	113.2
275	R	97.5	Very high	97.2	Very high	229 Å²	229	81.6 Å²	81.6	86%	0.864	39%	0.387	S	S	*	.			trans	-134.1	125.8	172.4	-71.3	-173.6	175.8	-127.7	-3.1	110.4
276	H	98.1	Very high	97.2	Very high	54 Å²	54	84.1 Å²	84.1	25%	0.25	40%	0.398	C	S	.	.			trans	-140	131.2	-176.7	-62.8	-34.8	0	0	0	110.9	A246 K247 G250 T251	A246-H276 WeakPolarHBondContact O-CB 3.39Å; K247-H276 WeakPolarHBondContact CE-NE2 3.05Å; K247-H276 WeakPolarHBondContact CG-CD2 3.37Å; K247-H276 WeakPolarHBondContact CG-NE2 3.32Å; G250-H276 CarbonylContact C-O 3.45Å; G250-H276 WeakPolarHBondContact CA-O 3.49Å; T251-H276 HydrophobicContact CG2-CB 4.19Å; T251-H276 PolarHBondContact N-O 2.78Å; T251-H276 PolarHBondContact OG1-N 3.13Å; T251-H276 PolarHBondContact OG1-O 3.25Å
277	S	97.8	Very high	97.3	Very high	80 Å²	80	86.5 Å²	86.5	56%	0.559	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-71.2	150.6	168.8	50.7	0	0	0	0	111.9	K279	S277-K279 WeakPolarHBondContact O-CE 3.25Å; S277-K279 PolarHBondContact O-NZ 3.22Å; S277-K279 PolarHBondContact OG-NZ 2.99Å
278	R	98.5	Very high	97.2	Very high	78 Å²	78	88.8 Å²	88.8	29%	0.294	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-57	139.4	167.6	-171.4	170.7	-175.8	95.6	5.5	110.4	L249 D253 D302	L249-R278 VanDerWaalsContact O-CB 3.28Å; L249-R278 WeakPolarHBondContact O-CB 3.5Å; L249-R278 VanDerWaalsContact O-CG 3.29Å; L249-R278 WeakPolarHBondContact O-CG 3.41Å; D253-R278 IonicContact OD2-CZ 3.12Å; D253-R278 IonicContact OD2-NH1 3.13Å; D253-R278 PolarHBondContact OD2-NH1 3.31Å; R278-D302 IonicContact CZ-OD1 3.16Å; R278-D302 IonicContact NE-OD1 2.82Å; R278-D302 IonicContact NH2-OD1 2.79Å; R278-D302 PolarHBondContact NH2-OD1 2.65Å; R278-D302 IonicContact NH2-OD2 3.43Å
279	K	98.4	Very high	97.3	Very high	42 Å²	42	81.7 Å²	81.7	18%	0.183	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-101	135.5	-179.6	-53.5	-51.5	179.4	-130.4	0	110.2	K247 V248 S277	K247-K279 WeakPolarHBondContact O-CE 3.45Å; K247-K279 WeakPolarHBondContact O-CG 3.16Å; V248-K279 WeakPolarHBondContact O-CB 3.44Å; V248-K279 PolarHBondContact O-N 3.15Å; S277-K279 WeakPolarHBondContact O-CE 3.25Å; S277-K279 PolarHBondContact O-NZ 3.22Å; S277-K279 PolarHBondContact OG-NZ 2.99Å
280	R	98.3	Very high	97.3	Very high	174 Å²	174	87.5 Å²	87.5	66%	0.657	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-66.2	134.8	168.4	-55.2	-175.2	74.1	-94.9	-9.8	109	E282 R283	R280-E282 WeakPolarHBondContact CB-OE2 3.29Å; R280-E282 IonicContact CZ-OE1 3.1Å; R280-E282 IonicContact CZ-OE2 3.52Å; R280-E282 IonicContact NH1-OE1 2.71Å; R280-E282 PolarHBondContact NH1-OE1 2.84Å; R280-E282 IonicContact NH1-OE2 3.16Å; R280-E282 PolarHBondContact NH1-OE2 2.67Å; R280-E282 VanDerWaalsContact NH1-OE2 3.16Å; R280-E282 IonicContact NH2-OE1 2.7Å; R280-E282 PolarHBondContact NH2-OE1 2.79Å; R280-E282 IonicContact NH2-OE2 3.63Å; R280-E282 PolarHBondContact O-N 3.3Å; R280-R283 VanDerWaalsContact O-CB 3.28Å; R280-R283 WeakPolarHBondContact O-CB 3.2Å; R280-R283 PolarHBondContact O-N 3.21Å; R280-R283 VanDerWaalsContact O-N 3.11Å
281	W	98.7	Very high	97.5	Very high	14 Å²	14	87.7 Å²	87.7	5%	0.053	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-63.5	-25.5	-171.7	-66.6	107.9	0	0	0	113.7	F227 F232 V248 L249 R283 F284 L298 L301 D302 L305	F227-W281 AromaticContact CE2-CE3 3.94Å; F227-W281 HydrophobicContact CE2-CE3 3.94Å; F227-W281 HydrophobicContact CE2-CZ3 4.46Å; F227-W281 HydrophobicContact CZ-CB 4.25Å; F227-W281 HydrophobicContact CZ-CE3 4.18Å; F232-W281 AromaticContact CE1-CZ3 3.93Å; F232-W281 HydrophobicContact CE1-CZ3 3.93Å; F232-W281 HydrophobicContact CZ-CE3 4.46Å; F232-W281 AromaticContact CZ-CZ3 3.87Å; F232-W281 HydrophobicContact CZ-CZ3 3.87Å; V248-W281 HydrophobicContact CG1-CH2 4.17Å; V248-W281 HydrophobicContact CG1-CZ3 3.95Å; L249-W281 HydrophobicContact CD2-CH2 3.84Å; L249-W281 HydrophobicContact CD2-CZ2 3.84Å; W281-R283 PolarHBondContact O-N 2.89Å; W281-F284 HydrophobicContact CE3-CD2 4.07Å; W281-F284 HydrophobicContact CE3-CE2 4.11Å; W281-F284 HydrophobicContact CZ3-CE2 4.43Å; W281-F284 WeakPolarHBondContact O-CD2 3.44Å; W281-F284 PolarHBondContact O-N 2.7Å; W281-L298 HydrophobicContact CB-CB 4.49Å; W281-L298 HydrophobicContact CB-CD1 4.17Å; W281-L298 HydrophobicContact CB-CD2 3.76Å; W281-L298 HydrophobicContact CB-CG 4.36Å; W281-L298 HydrophobicContact CG-CD2 4.48Å; W281-L301 HydrophobicContact CD2-CD2 4.38Å; W281-L301 HydrophobicContact CE3-CD2 3.96Å; W281-L301 HydrophobicContact CH2-CD2 4.33Å; W281-L301 HydrophobicContact CH2-CG 4.45Å; W281-L301 HydrophobicContact CZ3-CD2 3.93Å; W281-D302 PolarHBondContact NE1-OD1 2.64Å; W281-L305 HydrophobicContact CH2-CB 4.23Å; W281-L305 HydrophobicContact CH2-CD1 3.69Å; W281-L305 HydrophobicContact CZ2-CB 4.39Å; W281-L305 HydrophobicContact CZ3-CD1 4.32Å
282	E	97.6	Very high	97.7	Very high	86 Å²	86	80.5 Å²	80.5	40%	0.402	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-61.3	-15.9	176.1	-55.1	99.4	118	0	0	113.1	R280 F284 V285 L298	R280-E282 WeakPolarHBondContact CB-OE2 3.29Å; R280-E282 IonicContact CZ-OE1 3.1Å; R280-E282 IonicContact CZ-OE2 3.52Å; R280-E282 IonicContact NH1-OE1 2.71Å; R280-E282 PolarHBondContact NH1-OE1 2.84Å; R280-E282 IonicContact NH1-OE2 3.16Å; R280-E282 PolarHBondContact NH1-OE2 2.67Å; R280-E282 VanDerWaalsContact NH1-OE2 3.16Å; R280-E282 IonicContact NH2-OE1 2.7Å; R280-E282 PolarHBondContact NH2-OE1 2.79Å; R280-E282 IonicContact NH2-OE2 3.63Å; R280-E282 PolarHBondContact O-N 3.3Å; E282-F284 PolarHBondContact O-N 2.7Å; E282-V285 PolarHBondContact O-N 3.37Å; E282-V285 VanDerWaalsContact O-N 3.1Å; E282-L298 HydrophobicContact CG-CD1 4.09Å
283	R	98	Very high	97.8	Very high	187 Å²	187	78.5 Å²	78.5	71%	0.706	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-58.8	-22.3	169.7	179.1	172	175.4	138	4	113.3	R280 W281	R280-R283 VanDerWaalsContact O-CB 3.28Å; R280-R283 WeakPolarHBondContact O-CB 3.2Å; R280-R283 PolarHBondContact O-N 3.21Å; R280-R283 VanDerWaalsContact O-N 3.11Å; W281-R283 PolarHBondContact O-N 2.89Å
284	F	98.4	Very high	97.8	Very high	40 Å²	40	79.5 Å²	79.5	18%	0.175	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-98.8	2.5	179.5	-53.6	-72.5	0	0	0	113.1	F227 F232 V248 W281 E282 N289	F227-F284 HydrophobicContact CB-CB 4.32Å; F227-F284 HydrophobicContact CD1-CB 3.58Å; F227-F284 HydrophobicContact CD2-CB 3.99Å; F227-F284 HydrophobicContact CE1-CB 3.79Å; F227-F284 HydrophobicContact CE2-CB 4.17Å; F227-F284 HydrophobicContact CE2-CD2 4.37Å; F227-F284 HydrophobicContact CG-CB 3.7Å; F227-F284 HydrophobicContact CZ-CB 4.08Å; F227-F284 HydrophobicContact CZ-CD2 4.46Å; F232-F284 HydrophobicContact CE2-CD1 4.06Å; F232-F284 HydrophobicContact CE2-CD2 4.29Å; F232-F284 HydrophobicContact CE2-CE1 4.38Å; F232-F284 HydrophobicContact CE2-CG 4.02Å; F232-F284 HydrophobicContact CZ-CD1 4.16Å; F232-F284 AromaticContact CZ-CD2 3.95Å; F232-F284 HydrophobicContact CZ-CD2 3.95Å; F232-F284 HydrophobicContact CZ-CE1 4.1Å; F232-F284 AromaticContact CZ-CE2 3.9Å; F232-F284 HydrophobicContact CZ-CE2 3.9Å; F232-F284 HydrophobicContact CZ-CG 4.1Å; F232-F284 AromaticContact CZ-CZ 3.97Å; F232-F284 HydrophobicContact CZ-CZ 3.97Å; V248-F284 HydrophobicContact CB-CZ 4.39Å; V248-F284 HydrophobicContact CG1-CE2 3.76Å; V248-F284 HydrophobicContact CG1-CZ 3.73Å; V248-F284 HydrophobicContact CG2-CZ 3.84Å; W281-F284 HydrophobicContact CE3-CD2 4.07Å; W281-F284 HydrophobicContact CE3-CE2 4.11Å; W281-F284 HydrophobicContact CZ3-CE2 4.43Å; W281-F284 WeakPolarHBondContact O-CD2 3.44Å; W281-F284 PolarHBondContact O-N 2.7Å; E282-F284 PolarHBondContact O-N 2.7Å; F284-N289 PolarHBondContact O-ND2 2.87Å
285	V	98.5	Very high	98	Very high	52 Å²	52	82.4 Å²	82.4	32%	0.315	39%	0.389	S	S	.	.			trans	-90	133.1	-179.4	-178	0	0	0	0	110.6	F227 E282 N289 Q290 V293	F227-V285 HydrophobicContact CE1-CG2 4.04Å; E282-V285 PolarHBondContact O-N 3.37Å; E282-V285 VanDerWaalsContact O-N 3.1Å; V285-N289 WeakPolarHBondContact CA-OD1 3.43Å; V285-Q290 HydrophobicContact CG1-CB 3.94Å; V285-V293 HydrophobicContact CG2-CB 4.27Å; V285-V293 HydrophobicContact CG2-CG1 3.8Å; V285-V293 HydrophobicContact CG2-CG2 4.23Å
286	H	97.9	Very high	98.1	Very high	82 Å²	82	75.3 Å²	75.3	38%	0.38	37%	0.366	S	S	.	.			trans	-146.3	172.1	173.6	56.3	108.2	0	0	0	110.9	E288 N289 Q290	H286-E288 IonicContact CE1-OE2 2.85Å; H286-E288 PolarHBondContact CE1-OE2 2.99Å; H286-E288 IonicContact ND1-OE2 3.05Å; H286-E288 PolarHBondContact ND1-OE2 2.67Å; H286-E288 PolarHBondContact O-N 2.66Å; H286-N289 PolarHBondContact CD2-ND2 3.21Å; H286-N289 PolarHBondContact N-OD1 2.93Å; H286-N289 PolarHBondContact NE2-ND2 3.31Å; H286-N289 VanDerWaalsContact NE2-ND2 3.11Å; H286-N289 PolarHBondContact O-N 3.16Å; H286-N289 PolarHBondContact O-OD1 3.27Å; H286-N289 VanDerWaalsContact O-OD1 3.11Å; H286-Q290 WeakPolarHBondContact O-CB 3.18Å; H286-Q290 PolarHBondContact O-N 3.07Å
287	S	97.6	Very high	98.1	Very high	90 Å²	90	72.8 Å²	72.8	63%	0.629	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-33.2	-175.7	46.9	0	0	0	0	114.7
288	E	96	Very high	98.1	Very high	138 Å²	138	70.1 Å²	70.1	65%	0.645	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-23.7	-178	-51.5	177.5	146.6	0	0	113.2	H286 H291	H286-E288 IonicContact CE1-OE2 2.85Å; H286-E288 PolarHBondContact CE1-OE2 2.99Å; H286-E288 IonicContact ND1-OE2 3.05Å; H286-E288 PolarHBondContact ND1-OE2 2.67Å; H286-E288 PolarHBondContact O-N 2.66Å; E288-H291 PolarHBondContact O-CE1 3.49Å; E288-H291 PolarHBondContact O-ND1 2.84Å
289	N	97.5	Very high	98.1	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-13.1	-173.8	77.9	11.8	0	0	0	114.6	F227 R228 F284 V285 H286 H291 L292	F227-N289 VanDerWaalsContact CA-ND2 3.3Å; F227-N289 WeakPolarHBondContact CA-ND2 3.37Å; F227-N289 PolarHBondContact O-ND2 3.45Å; R228-N289 HydrophobicContact CB-CB 4.45Å; R228-N289 HydrophobicContact CG-CB 4.3Å; F284-N289 PolarHBondContact O-ND2 2.87Å; V285-N289 WeakPolarHBondContact CA-OD1 3.43Å; H286-N289 PolarHBondContact CD2-ND2 3.21Å; H286-N289 PolarHBondContact N-OD1 2.93Å; H286-N289 PolarHBondContact NE2-ND2 3.31Å; H286-N289 VanDerWaalsContact NE2-ND2 3.11Å; H286-N289 PolarHBondContact O-N 3.16Å; H286-N289 PolarHBondContact O-OD1 3.27Å; H286-N289 VanDerWaalsContact O-OD1 3.11Å; N289-H291 PolarHBondContact O-N 3.27Å; N289-L292 WeakPolarHBondContact O-CB 3.41Å; N289-L292 PolarHBondContact O-N 3.06Å
290	Q	97.9	Very high	98.2	Very high	123 Å²	123	67.8 Å²	67.8	58%	0.575	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-53.2	-26.9	-179.7	65.5	-178.1	-0.5	0	0	114.3	V285 H286 L292 V293	V285-Q290 HydrophobicContact CG1-CB 3.94Å; H286-Q290 WeakPolarHBondContact O-CB 3.18Å; H286-Q290 PolarHBondContact O-N 3.07Å; Q290-L292 PolarHBondContact O-N 3.26Å; Q290-V293 PolarHBondContact O-N 2.82Å
291	H	97.8	Very high	98.2	Very high	112 Å²	112	59.5 Å²	59.5	52%	0.519	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-75.2	-4.8	178.2	72.3	-87.4	0	0	0	114	E288 N289	E288-H291 PolarHBondContact O-CE1 3.49Å; E288-H291 PolarHBondContact O-ND1 2.84Å; N289-H291 PolarHBondContact O-N 3.27Å
292	L	98.1	Very high	98.2	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.005	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-114	-1.4	177.1	-52.1	174.4	0	0	0	112.2	D130 I133 R228 N289 Q290	D130-L292 HydrophobicContact CB-CD2 4.29Å; I133-L292 HydrophobicContact CD1-CB 4.27Å; I133-L292 HydrophobicContact CD1-CD1 4.12Å; I133-L292 HydrophobicContact CD1-CD2 3.99Å; I133-L292 HydrophobicContact CD1-CG 4.35Å; R228-L292 HydrophobicContact CG-CD1 3.94Å; N289-L292 WeakPolarHBondContact O-CB 3.41Å; N289-L292 PolarHBondContact O-N 3.06Å; Q290-L292 PolarHBondContact O-N 3.26Å
293	V	98.4	Very high	98.3	Very high	27 Å²	27	59.2 Å²	59.2	16%	0.164	30%	0.297	C	S	.	.			trans	-115.9	116.8	-173.7	-178.9	0	0	0	0	109.7	I226 F227 V285 Q290 L298	I226-V293 HydrophobicContact CB-CG2 4.21Å; I226-V293 HydrophobicContact CG1-CG2 4.43Å; I226-V293 WeakPolarHBondContact O-CG2 3.2Å; F227-V293 HydrophobicContact CD1-CG2 4.02Å; F227-V293 HydrophobicContact CE1-CG1 4.48Å; F227-V293 HydrophobicContact CE1-CG2 3.99Å; V285-V293 HydrophobicContact CG2-CB 4.27Å; V285-V293 HydrophobicContact CG2-CG1 3.8Å; V285-V293 HydrophobicContact CG2-CG2 4.23Å; Q290-V293 PolarHBondContact O-N 2.82Å; V293-L298 HydrophobicContact CG1-CD1 3.88Å; V293-L298 HydrophobicContact CG1-CD2 3.55Å; V293-L298 HydrophobicContact CG1-CG 3.67Å
294	S	98.4	Very high	98.3	Very high	20 Å²	20	50.3 Å²	50.3	14%	0.14	26%	0.263	C	S	.	.			trans	-123.6	159.9	174.9	49.8	0	0	0	0	110	R134 E296 A297 L298	R134-S294 PolarHBondContact NH2-OG 3.26Å; R134-S294 VanDerWaalsContact NH2-OG 3.08Å; S294-E296 WeakPolarHBondContact CB-OE2 3.3Å; S294-E296 PolarHBondContact O-N 3.01Å; S294-A297 WeakPolarHBondContact O-CB 3.1Å; S294-A297 PolarHBondContact O-N 3.01Å; S294-A297 PolarHBondContact OG-N 3.07Å; S294-L298 PolarHBondContact O-N 2.8Å; S294-L298 VanDerWaalsContact O-N 3.08Å
295	P	98.6	Very high	98.3	Very high	102 Å²	102	48.4 Å²	48.4	66%	0.662	26%	0.255	S	S	*	.	H	α-helix	trans	-52.4	-39.5	175.4	-26.9	36	0	0	0	112.5	L298 D299	P295-L298 PolarHBondContact O-N 2.82Å; P295-D299 VanDerWaalsContact O-CB 3.22Å; P295-D299 WeakPolarHBondContact O-CB 3.14Å; P295-D299 PolarHBondContact O-N 3.05Å
296	E	98.7	Very high	98.3	Very high	80 Å²	80	49.6 Å²	49.6	37%	0.374	25%	0.254	S	S	.	.	H	α-helix	trans	-66.1	-36.5	176.9	-57.4	80.7	179.5	0	0	112.3	S294 F300 H321 P322 Y323	S294-E296 WeakPolarHBondContact CB-OE2 3.3Å; S294-E296 PolarHBondContact O-N 3.01Å; E296-F300 WeakPolarHBondContact O-CB 3.07Å; E296-F300 PolarHBondContact O-N 3.22Å; E296-H321 VanDerWaalsContact C-CE1 3.44Å; E296-H321 PolarHBondContact O-CE1 2.81Å; E296-P322 HydrophobicContact CG-CB 4.28Å; E296-Y323 HydrophobicContact CB-CD2 4.16Å
297	A	98.7	Very high	98.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67	-41.5	176	0	0	0	0	0	112	I226 S294 L301 Y323	I226-A297 HydrophobicContact CD1-CB 4.23Å; S294-A297 WeakPolarHBondContact O-CB 3.1Å; S294-A297 PolarHBondContact O-N 3.01Å; S294-A297 PolarHBondContact OG-N 3.07Å; A297-L301 VanDerWaalsContact O-CB 3.3Å; A297-L301 WeakPolarHBondContact O-CB 3.38Å; A297-L301 PolarHBondContact O-N 2.66Å; A297-Y323 HydrophobicContact CB-CD2 3.87Å; A297-Y323 HydrophobicContact CB-CE2 3.48Å; A297-Y323 VanDerWaalsContact CB-CE2 3.48Å
298	L	98.8	Very high	98.5	Very high	24 Å²	24	42.7 Å²	42.7	13%	0.126	21%	0.212	C	C	.	.	H	α-helix	trans	-70.1	-43	178.1	-62.6	-172.8	0	0	0	111.6	I226 F227 W281 E282 V293 S294 P295 L301 D302	I226-L298 HydrophobicContact CD1-CD2 4.23Å; F227-L298 HydrophobicContact CE1-CD2 3.9Å; F227-L298 HydrophobicContact CZ-CD2 3.59Å; W281-L298 HydrophobicContact CB-CB 4.49Å; W281-L298 HydrophobicContact CB-CD1 4.17Å; W281-L298 HydrophobicContact CB-CD2 3.76Å; W281-L298 HydrophobicContact CB-CG 4.36Å; W281-L298 HydrophobicContact CG-CD2 4.48Å; E282-L298 HydrophobicContact CG-CD1 4.09Å; V293-L298 HydrophobicContact CG1-CD1 3.88Å; V293-L298 HydrophobicContact CG1-CD2 3.55Å; V293-L298 HydrophobicContact CG1-CG 3.67Å; S294-L298 PolarHBondContact O-N 2.8Å; S294-L298 VanDerWaalsContact O-N 3.08Å; P295-L298 PolarHBondContact O-N 2.82Å; L298-L301 PolarHBondContact O-N 2.82Å; L298-D302 WeakPolarHBondContact O-CB 3.41Å; L298-D302 PolarHBondContact O-N 3.23Å
299	D	98.8	Very high	98.6	Very high	71 Å²	71	36.2 Å²	36.2	38%	0.38	18%	0.182	S	C	.	.	H	α-helix	trans	-65.6	-37.2	176.4	-179.7	61.1	0	0	0	112.5	P295 K303 H321	P295-D299 VanDerWaalsContact O-CB 3.22Å; P295-D299 WeakPolarHBondContact O-CB 3.14Å; P295-D299 PolarHBondContact O-N 3.05Å; D299-K303 WeakPolarHBondContact O-CG 3.45Å; D299-K303 PolarHBondContact O-N 3.01Å; D299-K303 IonicContact OD1-NZ 2.63Å; D299-K303 PolarHBondContact OD1-NZ 2.79Å; D299-K303 IonicContact OD2-NZ 2.66Å; D299-K303 PolarHBondContact OD2-NZ 3.34Å; D299-H321 IonicContact OD1-NE2 3.74Å; D299-H321 IonicContact OD2-CE1 3.08Å; D299-H321 PolarHBondContact OD2-CE1 2.88Å; D299-H321 IonicContact OD2-NE2 1.89Å; D299-H321 PolarHBondContact OD2-NE2 2.95Å
300	F	98.9	Very high	98.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.4	-48.5	172.3	-179.6	-137.2	0	0	0	111.4	M137 L141 L222 E296 D302 K303 L304 L313 A318 H321 Y323 F324	M137-F300 HydrophobicContact CE-CE1 4.02Å; L141-F300 HydrophobicContact CD1-CZ 4.28Å; L222-F300 HydrophobicContact CD2-CD1 3.4Å; L222-F300 VanDerWaalsContact CD2-CD1 3.4Å; L222-F300 HydrophobicContact CD2-CE1 3.69Å; L222-F300 HydrophobicContact CD2-CG 4.3Å; E296-F300 WeakPolarHBondContact O-CB 3.07Å; E296-F300 PolarHBondContact O-N 3.22Å; F300-D302 PolarHBondContact O-N 2.78Å; F300-K303 PolarHBondContact O-N 2.93Å; F300-L304 HydrophobicContact CD2-CG 4.46Å; F300-L304 HydrophobicContact CE1-CD1 4Å; F300-L304 HydrophobicContact CE2-CD1 3.95Å; F300-L304 HydrophobicContact CE2-CD2 4.16Å; F300-L304 HydrophobicContact CE2-CG 4.02Å; F300-L304 HydrophobicContact CZ-CD1 3.65Å; F300-L304 HydrophobicContact CZ-CD2 4.44Å; F300-L304 HydrophobicContact CZ-CG 4.24Å; F300-L304 PolarHBondContact O-N 2.75Å; F300-L313 HydrophobicContact CD2-CD1 3.85Å; F300-L313 HydrophobicContact CE2-CD1 3.87Å; F300-A318 HydrophobicContact CE2-CB 3.6Å; F300-A318 HydrophobicContact CZ-CB 3.97Å; F300-H321 HydrophobicContact CD2-CB 4.06Å; F300-H321 AromaticContact CD2-CG 3.84Å; F300-H321 PolarHBondContact N-CE1 2.91Å; F300-Y323 HydrophobicContact CB-CG 4.49Å; F300-Y323 AromaticContact CD1-CD1 3.59Å; F300-Y323 HydrophobicContact CD1-CD1 3.59Å; F300-Y323 HydrophobicContact CD1-CE1 4.22Å; F300-Y323 HydrophobicContact CD1-CG 4.28Å; F300-Y323 HydrophobicContact CE1-CD1 4.18Å; F300-Y323 HydrophobicContact CG-CD1 4.37Å; F300-F324 HydrophobicContact CD1-CE2 4.12Å; F300-F324 HydrophobicContact CD1-CZ 4.14Å; F300-F324 AromaticContact CE1-CE2 3.56Å; F300-F324 HydrophobicContact CE1-CE2 3.56Å; F300-F324 AromaticContact CE1-CZ 3.41Å; F300-F324 HydrophobicContact CE1-CZ 3.41Å; F300-F324 VanDerWaalsContact CE1-CZ 3.41Å; F300-F324 HydrophobicContact CE2-CE2 4.02Å; F300-F324 AromaticContact CZ-CE2 3.51Å; F300-F324 HydrophobicContact CZ-CE2 3.51Å; F300-F324 AromaticContact CZ-CZ 3.71Å; F300-F324 HydrophobicContact CZ-CZ 3.71Å
301	L	98.9	Very high	98.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.9	-41.7	-179.3	-179.6	62.7	0	0	0	112.4	G219 L222 A223 I226 F227 W281 A297 L298 K303 L304 L305	G219-L301 VanDerWaalsContact O-CD1 3.27Å; G219-L301 WeakPolarHBondContact O-CD1 3.49Å; L222-L301 HydrophobicContact CB-CD1 4.16Å; L222-L301 HydrophobicContact CD2-CB 3.91Å; L222-L301 HydrophobicContact CD2-CD1 3.95Å; L222-L301 HydrophobicContact CG-CD1 4.21Å; A223-L301 HydrophobicContact CB-CD1 3.88Å; A223-L301 HydrophobicContact CB-CD2 3.76Å; A223-L301 HydrophobicContact CB-CG 4.46Å; I226-L301 HydrophobicContact CD1-CD2 4.05Å; F227-L301 HydrophobicContact CE2-CD2 3.65Å; F227-L301 HydrophobicContact CZ-CD2 4.26Å; W281-L301 HydrophobicContact CD2-CD2 4.38Å; W281-L301 HydrophobicContact CE3-CD2 3.96Å; W281-L301 HydrophobicContact CH2-CD2 4.33Å; W281-L301 HydrophobicContact CH2-CG 4.45Å; W281-L301 HydrophobicContact CZ3-CD2 3.93Å; A297-L301 VanDerWaalsContact O-CB 3.3Å; A297-L301 WeakPolarHBondContact O-CB 3.38Å; A297-L301 PolarHBondContact O-N 2.66Å; L298-L301 PolarHBondContact O-N 2.82Å; L301-K303 VanDerWaalsContact C-N 3.27Å; L301-K303 PolarHBondContact O-N 2.92Å; L301-L304 PolarHBondContact O-N 3.46Å; L301-L305 HydrophobicContact CD1-CD1 3.66Å; L301-L305 HydrophobicContact CD1-CG 3.91Å; L301-L305 HydrophobicContact CG-CD1 4.11Å; L301-L305 PolarHBondContact O-N 2.96Å
302	D	98.8	Very high	98.7	Very high	31 Å²	31	30.7 Å²	30.7	17%	0.166	16%	0.163	C	C	.	.	H	α-helix	trans	-59.9	-39.2	179	-167.9	90.4	0	0	0	111.9	R278 W281 L298 F300 L304 R306	R278-D302 IonicContact CZ-OD1 3.16Å; R278-D302 IonicContact NE-OD1 2.82Å; R278-D302 IonicContact NH2-OD1 2.79Å; R278-D302 PolarHBondContact NH2-OD1 2.65Å; R278-D302 IonicContact NH2-OD2 3.43Å; W281-D302 PolarHBondContact NE1-OD1 2.64Å; L298-D302 WeakPolarHBondContact O-CB 3.41Å; L298-D302 PolarHBondContact O-N 3.23Å; F300-D302 PolarHBondContact O-N 2.78Å; D302-L304 VanDerWaalsContact C-N 3.29Å; D302-L304 PolarHBondContact O-N 2.92Å; D302-R306 WeakPolarHBondContact O-CD 3.49Å; D302-R306 PolarHBondContact O-NE 2.72Å; D302-R306 IonicContact OD2-CZ 3.63Å; D302-R306 IonicContact OD2-NE 2.73Å; D302-R306 PolarHBondContact OD2-NE 3.17Å; D302-R306 VanDerWaalsContact OD2-NE 3.15Å; D302-R306 IonicContact OD2-NH2 3.35Å; D302-R306 PolarHBondContact OD2-NH2 3.32Å
303	K	98.9	Very high	98.8	Very high	63 Å²	63	31.8 Å²	31.8	27%	0.274	17%	0.169	S	C	.	.	H	α-helix	trans	-74.9	-11.8	176.8	-65.6	-176.3	179	70.9	0	114.3	D299 F300 L301 R312 L313 H321	D299-K303 WeakPolarHBondContact O-CG 3.45Å; D299-K303 PolarHBondContact O-N 3.01Å; D299-K303 IonicContact OD1-NZ 2.63Å; D299-K303 PolarHBondContact OD1-NZ 2.79Å; D299-K303 IonicContact OD2-NZ 2.66Å; D299-K303 PolarHBondContact OD2-NZ 3.34Å; F300-K303 PolarHBondContact O-N 2.93Å; L301-K303 VanDerWaalsContact C-N 3.27Å; L301-K303 PolarHBondContact O-N 2.92Å; K303-R312 WeakPolarHBondContact O-CA 3.26Å; K303-L313 HydrophobicContact CB-CD1 3.55Å; K303-L313 HydrophobicContact CB-CD2 4.43Å; K303-L313 HydrophobicContact CB-CG 3.75Å; K303-L313 HydrophobicContact CD-CD1 4.08Å; K303-L313 HydrophobicContact CD-CD2 4.17Å; K303-L313 HydrophobicContact CD-CG 4.34Å; K303-L313 PolarHBondContact O-N 2.86Å; K303-L313 VanDerWaalsContact O-N 3.15Å; K303-H321 PolarHBondContact NZ-NE2 3.02Å
304	L	98.9	Very high	98.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-91.1	-44.2	169.7	-66.8	179.5	0	0	0	112	M215 L222 F300 L301 D302 R306 R312 L313	M215-L304 HydrophobicContact CB-CD2 4.39Å; M215-L304 HydrophobicContact CE-CD2 3.72Å; L222-L304 HydrophobicContact CD2-CD1 4.27Å; F300-L304 HydrophobicContact CD2-CG 4.46Å; F300-L304 HydrophobicContact CE1-CD1 4Å; F300-L304 HydrophobicContact CE2-CD1 3.95Å; F300-L304 HydrophobicContact CE2-CD2 4.16Å; F300-L304 HydrophobicContact CE2-CG 4.02Å; F300-L304 HydrophobicContact CZ-CD1 3.65Å; F300-L304 HydrophobicContact CZ-CD2 4.44Å; F300-L304 HydrophobicContact CZ-CG 4.24Å; F300-L304 PolarHBondContact O-N 2.75Å; L301-L304 PolarHBondContact O-N 3.46Å; D302-L304 VanDerWaalsContact C-N 3.29Å; D302-L304 PolarHBondContact O-N 2.92Å; L304-R306 VanDerWaalsContact C-N 3.34Å; L304-R306 PolarHBondContact O-N 2.63Å; L304-R306 VanDerWaalsContact O-N 3.08Å; L304-R312 WeakPolarHBondContact O-CG 3.45Å; L304-L313 HydrophobicContact CD2-CB 4.22Å; L304-L313 HydrophobicContact CD2-CD1 4.45Å
305	L	98.9	Very high	98.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-88.7	69.9	-175.7	-65.5	-176.3	0	0	0	111.9	W216 A223 F233 L249 W281 L301	W216-L305 HydrophobicContact CD2-CD2 3.81Å; W216-L305 HydrophobicContact CE3-CD2 3.76Å; W216-L305 HydrophobicContact CG-CD2 4.48Å; W216-L305 HydrophobicContact CH2-CD2 3.99Å; W216-L305 HydrophobicContact CZ2-CD2 4.04Å; W216-L305 HydrophobicContact CZ3-CB 4.17Å; W216-L305 HydrophobicContact CZ3-CD2 3.86Å; A223-L305 HydrophobicContact CB-CD1 4.25Å; F233-L305 HydrophobicContact CE2-CD1 3.9Å; F233-L305 HydrophobicContact CE2-CD2 4.22Å; F233-L305 HydrophobicContact CZ-CD1 4.09Å; L249-L305 HydrophobicContact CD1-CB 4.46Å; L249-L305 WeakPolarHBondContact CD1-O 3.34Å; L249-L305 HydrophobicContact CD2-CB 4.32Å; L249-L305 WeakPolarHBondContact CD2-O 3.27Å; W281-L305 HydrophobicContact CH2-CB 4.23Å; W281-L305 HydrophobicContact CH2-CD1 3.69Å; W281-L305 HydrophobicContact CZ2-CB 4.39Å; W281-L305 HydrophobicContact CZ3-CD1 4.32Å; L301-L305 HydrophobicContact CD1-CD1 3.66Å; L301-L305 HydrophobicContact CD1-CG 3.91Å; L301-L305 HydrophobicContact CG-CD1 4.11Å; L301-L305 PolarHBondContact O-N 2.96Å
306	R	98.9	Very high	98.8	Very high	78 Å²	78	30.6 Å²	30.6	29%	0.294	15%	0.147	S	C	.	.			trans	-112.2	142.7	171.3	-56.6	-62.1	-179.5	82.5	-7.5	110.9	D302 L304 R312	D302-R306 WeakPolarHBondContact O-CD 3.49Å; D302-R306 PolarHBondContact O-NE 2.72Å; D302-R306 IonicContact OD2-CZ 3.63Å; D302-R306 IonicContact OD2-NE 2.73Å; D302-R306 PolarHBondContact OD2-NE 3.17Å; D302-R306 VanDerWaalsContact OD2-NE 3.15Å; D302-R306 IonicContact OD2-NH2 3.35Å; D302-R306 PolarHBondContact OD2-NH2 3.32Å; L304-R306 VanDerWaalsContact C-N 3.34Å; L304-R306 PolarHBondContact O-N 2.63Å; L304-R306 VanDerWaalsContact O-N 3.08Å; R306-R312 HydrophobicContact CB-CG 4.02Å; R306-R312 PolarHBondContact O-NE 3.34Å; R306-R312 PolarHBondContact O-NH2 2.7Å
307	Y	98.9	Very high	98.8	Very high	6 Å²	6	29.6 Å²	29.6	2%	0.024	14%	0.142	C	C	.	.	S	Bend	trans	-61.4	-62.4	174.4	-74.2	-71.9	0	0	0	110.9	P200 L242 I245 A246 L249 G250 D253 L254 H309 R312	P200-Y307 HydrophobicContact CB-CD1 3.81Å; P200-Y307 HydrophobicContact CB-CE1 4.41Å; P200-Y307 HydrophobicContact CG-CD1 3.62Å; P200-Y307 HydrophobicContact CG-CE1 4.12Å; L242-Y307 HydrophobicContact CD1-CE1 4.38Å; I245-Y307 HydrophobicContact CG2-CE1 3.64Å; A246-Y307 WeakPolarHBondContact CA-OH 3.42Å; A246-Y307 PolarHBondContact N-OH 3.45Å; L249-Y307 HydrophobicContact CB-CD2 4.3Å; L249-Y307 HydrophobicContact CB-CE2 3.43Å; L249-Y307 VanDerWaalsContact CB-CE2 3.43Å; L249-Y307 HydrophobicContact CD1-CD2 4.3Å; L249-Y307 HydrophobicContact CD1-CE2 4.02Å; L249-Y307 HydrophobicContact CG-CE2 4.38Å; G250-Y307 PolarHBondContact O-OH 3.04Å; D253-Y307 HydrophobicContact CB-CD2 3.59Å; D253-Y307 HydrophobicContact CB-CE2 3.89Å; D253-Y307 WeakPolarHBondContact O-CD2 3.25Å; L254-Y307 HydrophobicContact CB-CD1 4.3Å; L254-Y307 HydrophobicContact CB-CD2 4.25Å; L254-Y307 HydrophobicContact CB-CE1 3.95Å; L254-Y307 HydrophobicContact CB-CE2 3.87Å; L254-Y307 HydrophobicContact CB-CG 4.44Å; L254-Y307 HydrophobicContact CD1-CD1 3.75Å; L254-Y307 HydrophobicContact CD1-CE1 3.68Å; L254-Y307 HydrophobicContact CD1-CG 4.47Å; L254-Y307 HydrophobicContact CD2-CE1 4.37Å; L254-Y307 HydrophobicContact CG-CE1 4.2Å; Y307-H309 PolarHBondContact O-N 3.11Å; Y307-R312 PolarHBondContact O-NH2 3.38Å
308	D	98.9	Very high	98.9	Very high	21 Å²	21	29.6 Å²	29.6	11%	0.112	14%	0.142	C	C	.	.	S	Bend	trans	-55.1	110.9	171	176.7	32.4	0	0	0	110.8	Y257 K260 Y261 Q310 S311	Y257-D308 VanDerWaalsContact CD2-CA 3.42Å; Y257-D308 HydrophobicContact CD2-CB 3.94Å; K260-D308 IonicContact NZ-OD1 3.72Å; K260-D308 PolarHBondContact NZ-OD1 3.19Å; K260-D308 IonicContact NZ-OD2 3.51Å; K260-D308 PolarHBondContact NZ-OD2 2.83Å; Y261-D308 VanDerWaalsContact CE2-OD1 3.23Å; Y261-D308 WeakPolarHBondContact CE2-OD1 3.21Å; Y261-D308 PolarHBondContact OH-OD1 3.42Å; D308-Q310 VanDerWaalsContact C-N 3.27Å; D308-Q310 PolarHBondContact O-N 3.04Å; D308-Q310 PolarHBondContact OD1-N 3.06Å; D308-S311 WeakPolarHBondContact O-CB 3.5Å; D308-S311 PolarHBondContact O-N 3Å; D308-S311 WeakPolarHBondContact OD2-CB 3.36Å; D308-S311 PolarHBondContact OD2-N 2.65Å; D308-S311 PolarHBondContact OD2-OG 2.86Å
309	H	98.9	Very high	98.9	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-64.5	-32.2	-177.5	56.2	-80.2	0	0	0	112.1	S7 Y206 D210 S212 Y257 Y261 Y307 S311 R312	S7-H309 WeakPolarHBondContact CB-NE2 3.49Å; S7-H309 PolarHBondContact OG-NE2 2.94Å; Y206-H309 AromaticContact CE1-CE1 3.67Å; D210-H309 IonicContact OD2-CD2 2.73Å; S212-H309 WeakPolarHBondContact CB-O 3.32Å; S212-H309 WeakPolarHBondContact OG-CB 3.33Å; S212-H309 PolarHBondContact OG-O 2.98Å; Y257-H309 AromaticContact CE2-ND1 3.61Å; Y261-H309 AromaticContact CE1-CE1 3.86Å; Y261-H309 AromaticContact CE2-CE1 3.72Å; Y261-H309 AromaticContact CZ-CE1 3.44Å; Y261-H309 VanDerWaalsContact CZ-CE1 3.44Å; Y307-H309 PolarHBondContact O-N 3.11Å; H309-S311 VanDerWaalsContact C-N 3.27Å; H309-S311 PolarHBondContact O-N 2.7Å; H309-R312 PolarHBondContact O-N 2.82Å
310	Q	98.8	Very high	98.8	Very high	55 Å²	55	31.1 Å²	31.1	26%	0.257	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-68.3	-24.5	171.6	-65.1	-177.4	9.3	0	0	113.1	S7 R10 Y261 D308 R312	S7-Q310 PolarHBondContact OG-NE2 2.87Å; R10-Q310 VanDerWaalsContact CD-O 3.28Å; R10-Q310 WeakPolarHBondContact CD-O 3.41Å; R10-Q310 HydrophobicContact CG-CB 4.48Å; R10-Q310 PolarHBondContact NE-O 3.29Å; Y261-Q310 WeakPolarHBondContact OH-CG 3.4Å; Y261-Q310 PolarHBondContact OH-NE2 3.27Å; D308-Q310 VanDerWaalsContact C-N 3.27Å; D308-Q310 PolarHBondContact O-N 3.04Å; D308-Q310 PolarHBondContact OD1-N 3.06Å; Q310-R312 VanDerWaalsContact C-N 3.31Å; Q310-R312 PolarHBondContact O-N 2.89Å
311	S	98.7	Very high	98.8	Very high	61 Å²	61	31.7 Å²	31.7	43%	0.427	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-85.2	2.3	178.4	-72.5	0	0	0	0	114.1	D308 H309	D308-S311 WeakPolarHBondContact O-CB 3.5Å; D308-S311 PolarHBondContact O-N 3Å; D308-S311 WeakPolarHBondContact OD2-CB 3.36Å; D308-S311 PolarHBondContact OD2-N 2.65Å; D308-S311 PolarHBondContact OD2-OG 2.86Å; H309-S311 VanDerWaalsContact C-N 3.27Å; H309-S311 PolarHBondContact O-N 2.7Å
312	R	98.9	Very high	98.8	Very high	3 Å²	3	34.2 Å²	34.2	1%	0.011	17%	0.165	C	C	.	.	S	Bend	trans	-84.8	151.4	173.2	-55.2	177.9	-164	147.2	9.1	110.3	R10 E201 S212 K303 L304 R306 Y307 H309 Q310	R10-R312 PolarHBondContact NH2-O 2.62Å; E201-R312 IonicContact OE1-CZ 2.99Å; E201-R312 IonicContact OE1-NH1 2.72Å; E201-R312 PolarHBondContact OE1-NH1 2.96Å; E201-R312 IonicContact OE1-NH2 3.2Å; E201-R312 IonicContact OE2-CZ 2.68Å; E201-R312 IonicContact OE2-NH1 2.75Å; E201-R312 PolarHBondContact OE2-NH1 3.3Å; E201-R312 IonicContact OE2-NH2 2.67Å; E201-R312 PolarHBondContact OE2-NH2 2.95Å; S212-R312 WeakPolarHBondContact O-CD 3.36Å; S212-R312 PolarHBondContact O-NH1 2.93Å; K303-R312 WeakPolarHBondContact O-CA 3.26Å; L304-R312 WeakPolarHBondContact O-CG 3.45Å; R306-R312 HydrophobicContact CB-CG 4.02Å; R306-R312 PolarHBondContact O-NE 3.34Å; R306-R312 PolarHBondContact O-NH2 2.7Å; Y307-R312 PolarHBondContact O-NH2 3.38Å; H309-R312 PolarHBondContact O-N 2.82Å; Q310-R312 VanDerWaalsContact C-N 3.31Å; Q310-R312 PolarHBondContact O-N 2.89Å
313	L	98.9	Very high	98.8	Very high	25 Å²	25	32.7 Å²	32.7	13%	0.131	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-59.7	144.9	169.5	-66.1	165.5	0	0	0	111.3	M215 F300 K303 L304 E317 A318	M215-L313 WeakPolarHBondContact CG-O 3.36Å; F300-L313 HydrophobicContact CD2-CD1 3.85Å; F300-L313 HydrophobicContact CE2-CD1 3.87Å; K303-L313 HydrophobicContact CB-CD1 3.55Å; K303-L313 HydrophobicContact CB-CD2 4.43Å; K303-L313 HydrophobicContact CB-CG 3.75Å; K303-L313 HydrophobicContact CD-CD1 4.08Å; K303-L313 HydrophobicContact CD-CD2 4.17Å; K303-L313 HydrophobicContact CD-CG 4.34Å; K303-L313 PolarHBondContact O-N 2.86Å; K303-L313 VanDerWaalsContact O-N 3.15Å; L304-L313 HydrophobicContact CD2-CB 4.22Å; L304-L313 HydrophobicContact CD2-CD1 4.45Å; L313-E317 WeakPolarHBondContact CA-OE2 3.14Å; L313-E317 HydrophobicContact CB-CB 4.25Å; L313-E317 HydrophobicContact CD2-CB 3.72Å; L313-A318 HydrophobicContact CB-CB 4.22Å; L313-A318 HydrophobicContact CD1-CB 4.38Å
314	T	98.9	Very high	98.8	Very high	17 Å²	17	29.7 Å²	29.7	10%	0.104	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-73	166.9	161.8	66.8	0	0	0	0	110.6	V11 R316 E317 A318	V11-T314 HydrophobicContact CB-CG2 4.33Å; V11-T314 HydrophobicContact CG1-CG2 3.86Å; V11-T314 HydrophobicContact CG2-CG2 3.49Å; V11-T314 VanDerWaalsContact CG2-CG2 3.49Å; T314-R316 VanDerWaalsContact C-N 3.31Å; T314-R316 PolarHBondContact O-N 3.1Å; T314-E317 PolarHBondContact N-OE2 2.97Å; T314-E317 PolarHBondContact O-N 2.69Å; T314-E317 WeakPolarHBondContact OG1-CB 3.24Å; T314-E317 WeakPolarHBondContact OG1-CG 3.36Å; T314-E317 PolarHBondContact OG1-N 2.95Å; T314-E317 VanDerWaalsContact OG1-N 3.13Å; T314-E317 PolarHBondContact OG1-OE1 2.99Å; T314-E317 PolarHBondContact OG1-OE2 2.89Å; T314-A318 VanDerWaalsContact O-CB 3.23Å; T314-A318 WeakPolarHBondContact O-CB 3.46Å; T314-A318 PolarHBondContact O-N 2.98Å
315	A	98.9	Very high	98.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.8	-42	175.9	0	0	0	0	0	111.9	L141 L144 D145 M215 A318 M319	L141-A315 HydrophobicContact CD2-CB 4.25Å; L144-A315 HydrophobicContact CB-CB 4.1Å; D145-A315 HydrophobicContact CB-CB 3.62Å; M215-A315 HydrophobicContact CE-CB 4.44Å; M215-A315 HydrophobicContact SD-CB 3.91Å; A315-A318 WeakPolarHBondContact O-CB 3.43Å; A315-A318 PolarHBondContact O-N 2.9Å; A315-M319 WeakPolarHBondContact O-CG 3.33Å; A315-M319 PolarHBondContact O-N 2.92Å
316	R	98.8	Very high	98.7	Very high	107 Å²	107	38.7 Å²	38.7	40%	0.404	19%	0.186	S	C	.	.	H	α-helix	trans	-58.1	-54.5	171.7	-175.1	49.1	50.3	170.7	-0	113.8	D145 T314 A318 M319 E320	D145-R316 WeakPolarHBondContact OD1-CB 3.32Å; D145-R316 PolarHBondContact OD1-N 2.86Å; D145-R316 IonicContact OD2-CZ 3.5Å; D145-R316 VanDerWaalsContact OD2-CZ 3.26Å; D145-R316 IonicContact OD2-NE 3.36Å; D145-R316 PolarHBondContact OD2-NE 3.47Å; D145-R316 IonicContact OD2-NH2 2.74Å; D145-R316 PolarHBondContact OD2-NH2 2.7Å; T314-R316 VanDerWaalsContact C-N 3.31Å; T314-R316 PolarHBondContact O-N 3.1Å; R316-A318 PolarHBondContact O-N 2.79Å; R316-M319 WeakPolarHBondContact O-CB 3.44Å; R316-M319 PolarHBondContact O-N 3.35Å; R316-E320 WeakPolarHBondContact CD-OE1 3.45Å; R316-E320 WeakPolarHBondContact CG-OE1 3.27Å; R316-E320 PolarHBondContact O-N 2.85Å; R316-E320 VanDerWaalsContact O-N 3.15Å
317	E	98.9	Very high	98.7	Very high	58 Å²	58	35 Å²	35	27%	0.271	17%	0.172	S	C	.	.	H	α-helix	trans	-61.4	-31.8	179.2	-67.9	158.3	-166.8	0	0	111.9	R10 L313 T314 H321	R10-E317 IonicContact CZ-OE1 2.71Å; R10-E317 IonicContact CZ-OE2 3.5Å; R10-E317 IonicContact NH1-OE1 2.72Å; R10-E317 PolarHBondContact NH1-OE1 3.22Å; R10-E317 IonicContact NH1-OE2 3.61Å; R10-E317 IonicContact NH2-OE1 3.98Å; R10-E317 PolarHBondContact NH2-OE1 3.07Å; R10-E317 IonicContact NH2-OE2 3.28Å; R10-E317 PolarHBondContact NH2-OE2 3.36Å; L313-E317 WeakPolarHBondContact CA-OE2 3.14Å; L313-E317 HydrophobicContact CB-CB 4.25Å; L313-E317 HydrophobicContact CD2-CB 3.72Å; T314-E317 PolarHBondContact N-OE2 2.97Å; T314-E317 PolarHBondContact O-N 2.69Å; T314-E317 WeakPolarHBondContact OG1-CB 3.24Å; T314-E317 WeakPolarHBondContact OG1-CG 3.36Å; T314-E317 PolarHBondContact OG1-N 2.95Å; T314-E317 VanDerWaalsContact OG1-N 3.13Å; T314-E317 PolarHBondContact OG1-OE1 2.99Å; T314-E317 PolarHBondContact OG1-OE2 2.89Å; E317-H321 PolarHBondContact O-N 2.71Å
318	A	98.9	Very high	98.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-68.7	-42.2	173.2	0	0	0	0	0	112.3	L141 M215 F300 L313 T314 A315 R316 E320 H321 F324	L141-A318 HydrophobicContact CD1-CB 3.91Å; L141-A318 HydrophobicContact CD2-CB 3.6Å; L141-A318 HydrophobicContact CG-CB 4.44Å; M215-A318 HydrophobicContact CE-CB 3.76Å; F300-A318 HydrophobicContact CE2-CB 3.6Å; F300-A318 HydrophobicContact CZ-CB 3.97Å; L313-A318 HydrophobicContact CB-CB 4.22Å; L313-A318 HydrophobicContact CD1-CB 4.38Å; T314-A318 VanDerWaalsContact O-CB 3.23Å; T314-A318 WeakPolarHBondContact O-CB 3.46Å; T314-A318 PolarHBondContact O-N 2.98Å; A315-A318 WeakPolarHBondContact O-CB 3.43Å; A315-A318 PolarHBondContact O-N 2.9Å; R316-A318 PolarHBondContact O-N 2.79Å; A318-E320 PolarHBondContact O-N 2.93Å; A318-H321 VanDerWaalsContact O-CB 3.25Å; A318-H321 WeakPolarHBondContact O-CB 3.33Å; A318-H321 PolarHBondContact O-N 3.39Å; A318-F324 WeakPolarHBondContact O-CD2 3.24Å; A318-F324 WeakPolarHBondContact O-CE2 3.22Å
319	M	98.7	Very high	98.5	Very high	13 Å²	13	42.6 Å²	42.6	6%	0.064	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-29	175.1	-71.3	176.1	70.6	0	0	112.9	Y138 L141 K142 D145 A315 R316 H321	Y138-M319 HydrophobicContact CD2-CB 4.33Å; Y138-M319 HydrophobicContact CD2-CE 4.49Å; Y138-M319 HydrophobicContact CD2-CG 4.18Å; Y138-M319 HydrophobicContact CE1-CE 4.13Å; Y138-M319 HydrophobicContact CE2-CB 3.73Å; Y138-M319 HydrophobicContact CE2-CE 3.77Å; Y138-M319 HydrophobicContact CE2-CG 3.9Å; L141-M319 HydrophobicContact CB-CG 3.55Å; L141-M319 HydrophobicContact CB-SD 4.13Å; L141-M319 HydrophobicContact CD1-CG 4.01Å; L141-M319 HydrophobicContact CG-CG 4.31Å; K142-M319 HydrophobicContact CG-CE 3.66Å; K142-M319 HydrophobicContact CG-SD 4.43Å; D145-M319 HydrophobicContact CB-SD 4.31Å; A315-M319 WeakPolarHBondContact O-CG 3.33Å; A315-M319 PolarHBondContact O-N 2.92Å; R316-M319 WeakPolarHBondContact O-CB 3.44Å; R316-M319 PolarHBondContact O-N 3.35Å; M319-H321 VanDerWaalsContact C-N 3.3Å
320	E	98.6	Very high	98.3	Very high	115 Å²	115	44.4 Å²	44.4	54%	0.537	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-3.1	179.5	-70.1	164.2	-170.5	0	0	113.3	R316 A318	R316-E320 WeakPolarHBondContact CD-OE1 3.45Å; R316-E320 WeakPolarHBondContact CG-OE1 3.27Å; R316-E320 PolarHBondContact O-N 2.85Å; R316-E320 VanDerWaalsContact O-N 3.15Å; A318-E320 PolarHBondContact O-N 2.93Å
321	H	98.8	Very high	98	Very high	12 Å²	12	44.4 Å²	44.4	6%	0.056	22%	0.218	C	C	.	.	S	Bend	trans	-71.4	140.7	-177.7	-166.3	-83.7	0	0	0	112.6	E296 D299 F300 K303 E317 A318 M319 Y323 F324	E296-H321 VanDerWaalsContact C-CE1 3.44Å; E296-H321 PolarHBondContact O-CE1 2.81Å; D299-H321 IonicContact OD1-NE2 3.74Å; D299-H321 IonicContact OD2-CE1 3.08Å; D299-H321 PolarHBondContact OD2-CE1 2.88Å; D299-H321 IonicContact OD2-NE2 1.89Å; D299-H321 PolarHBondContact OD2-NE2 2.95Å; F300-H321 HydrophobicContact CD2-CB 4.06Å; F300-H321 AromaticContact CD2-CG 3.84Å; F300-H321 PolarHBondContact N-CE1 2.91Å; K303-H321 PolarHBondContact NZ-NE2 3.02Å; E317-H321 PolarHBondContact O-N 2.71Å; A318-H321 VanDerWaalsContact O-CB 3.25Å; A318-H321 WeakPolarHBondContact O-CB 3.33Å; A318-H321 PolarHBondContact O-N 3.39Å; M319-H321 VanDerWaalsContact C-N 3.3Å; H321-Y323 PolarHBondContact ND1-N 2.8Å; H321-Y323 PolarHBondContact O-N 2.92Å; H321-F324 HydrophobicContact CB-CD2 4.37Å; H321-F324 PolarHBondContact O-N 2.88Å
322	P	98.7	Very high	97.7	Very high	52 Å²	52	44.3 Å²	44.3	34%	0.338	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-49.3	-26.7	179.2	-32.2	36.3	0	0	0	116.4	E296 F324 Y325	E296-P322 HydrophobicContact CG-CB 4.28Å; P322-F324 PolarHBondContact O-N 2.68Å; P322-F324 VanDerWaalsContact O-N 3.14Å; P322-Y325 HydrophobicContact CB-CD2 4.21Å; P322-Y325 HydrophobicContact CB-CE2 3.98Å; P322-Y325 HydrophobicContact CG-CE1 4.49Å; P322-Y325 HydrophobicContact CG-CE2 4.08Å; P322-Y325 PolarHBondContact O-N 3.42Å
323	Y	98.8	Very high	97.2	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-54.4	-30.5	174.5	-172.5	-122.8	0	0	0	113	D130 R134 L222 E296 A297 F300 H321	D130-Y323 PolarHBondContact OD1-OH 3.06Å; D130-Y323 VanDerWaalsContact OD1-OH 3.07Å; R134-Y323 HydrophobicContact CB-CE1 4.38Å; R134-Y323 WeakPolarHBondContact CD-O 3.47Å; R134-Y323 HydrophobicContact CG-CD1 4.08Å; R134-Y323 HydrophobicContact CG-CD2 4.08Å; R134-Y323 HydrophobicContact CG-CE1 3.58Å; R134-Y323 HydrophobicContact CG-CE2 3.54Å; R134-Y323 HydrophobicContact CG-CG 4.3Å; R134-Y323 WeakPolarHBondContact CG-OH 3.23Å; R134-Y323 VanDerWaalsContact CZ-CD2 3.48Å; R134-Y323 VanDerWaalsContact NH1-CD2 3.26Å; R134-Y323 PolarHBondContact NH1-O 3Å; L222-Y323 HydrophobicContact CD1-CE1 4.16Å; E296-Y323 HydrophobicContact CB-CD2 4.16Å; A297-Y323 HydrophobicContact CB-CD2 3.87Å; A297-Y323 HydrophobicContact CB-CE2 3.48Å; A297-Y323 VanDerWaalsContact CB-CE2 3.48Å; F300-Y323 HydrophobicContact CB-CG 4.49Å; F300-Y323 AromaticContact CD1-CD1 3.59Å; F300-Y323 HydrophobicContact CD1-CD1 3.59Å; F300-Y323 HydrophobicContact CD1-CE1 4.22Å; F300-Y323 HydrophobicContact CD1-CG 4.28Å; F300-Y323 HydrophobicContact CE1-CD1 4.18Å; F300-Y323 HydrophobicContact CG-CD1 4.37Å; H321-Y323 PolarHBondContact ND1-N 2.8Å; H321-Y323 PolarHBondContact O-N 2.92Å
324	F	98.8	Very high	96.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-97.4	-3.1	-178.1	-59.1	-68.8	0	0	0	115.3	R134 M137 Y138 L141 F300 A318 H321 P322 P326 I327 V328	R134-F324 WeakPolarHBondContact O-CD1 3.18Å; R134-F324 VanDerWaalsContact O-CE1 3.24Å; R134-F324 WeakPolarHBondContact O-CE1 3.49Å; M137-F324 HydrophobicContact CB-CE1 3.79Å; M137-F324 HydrophobicContact CB-CZ 4Å; Y138-F324 HydrophobicContact CD2-CB 3.84Å; Y138-F324 AromaticContact CD2-CD1 3.84Å; Y138-F324 HydrophobicContact CD2-CD1 3.84Å; Y138-F324 HydrophobicContact CD2-CD2 4.35Å; Y138-F324 HydrophobicContact CD2-CE1 4.48Å; Y138-F324 AromaticContact CD2-CG 3.74Å; Y138-F324 HydrophobicContact CD2-CG 3.74Å; Y138-F324 HydrophobicContact CE2-CB 4.21Å; Y138-F324 HydrophobicContact CE2-CG 4.49Å; Y138-F324 HydrophobicContact CG-CD1 4.23Å; L141-F324 HydrophobicContact CD1-CD2 4.43Å; L141-F324 HydrophobicContact CD1-CE1 4.39Å; L141-F324 HydrophobicContact CD1-CE2 3.58Å; L141-F324 HydrophobicContact CD1-CZ 3.54Å; F300-F324 HydrophobicContact CD1-CE2 4.12Å; F300-F324 HydrophobicContact CD1-CZ 4.14Å; F300-F324 AromaticContact CE1-CE2 3.56Å; F300-F324 HydrophobicContact CE1-CE2 3.56Å; F300-F324 AromaticContact CE1-CZ 3.41Å; F300-F324 HydrophobicContact CE1-CZ 3.41Å; F300-F324 VanDerWaalsContact CE1-CZ 3.41Å; F300-F324 HydrophobicContact CE2-CE2 4.02Å; F300-F324 AromaticContact CZ-CE2 3.51Å; F300-F324 HydrophobicContact CZ-CE2 3.51Å; F300-F324 AromaticContact CZ-CZ 3.71Å; F300-F324 HydrophobicContact CZ-CZ 3.71Å; A318-F324 WeakPolarHBondContact O-CD2 3.24Å; A318-F324 WeakPolarHBondContact O-CE2 3.22Å; H321-F324 HydrophobicContact CB-CD2 4.37Å; H321-F324 PolarHBondContact O-N 2.88Å; P322-F324 PolarHBondContact O-N 2.68Å; P322-F324 VanDerWaalsContact O-N 3.14Å; F324-P326 VanDerWaalsContact C-N 3.29Å; F324-P326 VanDerWaalsContact O-N 3.15Å; F324-I327 WeakPolarHBondContact O-CA 3.38Å; F324-I327 WeakPolarHBondContact O-CB 3.32Å; F324-I327 PolarHBondContact O-N 3.24Å; F324-V328 PolarHBondContact O-N 2.88Å
325	Y	98.3	Very high	95.2	Very high	141 Å²	141	57.4 Å²	57.4	55%	0.553	29%	0.29	S	S	*	.	H	α-helix	trans	-52.5	-36.3	-179.3	-71.7	-0.7	0	0	0	114.6	P322 K329	P322-Y325 HydrophobicContact CB-CD2 4.21Å; P322-Y325 HydrophobicContact CB-CE2 3.98Å; P322-Y325 HydrophobicContact CG-CE1 4.49Å; P322-Y325 HydrophobicContact CG-CE2 4.08Å; P322-Y325 PolarHBondContact O-N 3.42Å; Y325-K329 VanDerWaalsContact O-CB 3.24Å; Y325-K329 WeakPolarHBondContact O-CB 3.41Å; Y325-K329 PolarHBondContact O-N 3.12Å; Y325-K329 VanDerWaalsContact O-N 3.1Å
326	P	97.8	Very high	93.6	Very high	48 Å²	48	61.5 Å²	61.5	31%	0.312	32%	0.319	S	S	.	.	H	α-helix	trans	-60.7	-45.2	171.4	-23.8	35.1	0	0	0	112.9	Y131 F324 K329 D330	Y131-P326 HydrophobicContact CE2-CB 4.4Å; F324-P326 VanDerWaalsContact C-N 3.29Å; F324-P326 VanDerWaalsContact O-N 3.15Å; P326-K329 PolarHBondContact O-N 2.93Å; P326-D330 PolarHBondContact O-N 3.3Å
327	I	97.7	Very high	91.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-65.5	-45.9	-178	-51.3	-54.4	0	0	0	110.9	Y131 R134 F135 Y138 F324 K329 D330 Q331	Y131-I327 HydrophobicContact CD1-CD1 4.39Å; Y131-I327 HydrophobicContact CD2-CD1 3.96Å; Y131-I327 HydrophobicContact CE1-CD1 4.04Å; Y131-I327 HydrophobicContact CE2-CD1 3.58Å; Y131-I327 HydrophobicContact CG-CD1 4.34Å; R134-I327 HydrophobicContact CB-CD1 3.85Å; R134-I327 HydrophobicContact CB-CG1 3.73Å; F135-I327 HydrophobicContact CB-CD1 3.96Å; F135-I327 HydrophobicContact CD2-CG2 4.28Å; Y138-I327 HydrophobicContact CD1-CG2 3.78Å; Y138-I327 HydrophobicContact CE1-CG2 4.42Å; Y138-I327 HydrophobicContact CG-CG2 4.05Å; F324-I327 WeakPolarHBondContact O-CA 3.38Å; F324-I327 WeakPolarHBondContact O-CB 3.32Å; F324-I327 PolarHBondContact O-N 3.24Å; I327-K329 VanDerWaalsContact C-N 3.33Å; I327-K329 PolarHBondContact O-N 2.81Å; I327-D330 PolarHBondContact O-N 3.4Å; I327-Q331 HydrophobicContact CG2-CG 4.38Å; I327-Q331 WeakPolarHBondContact O-CB 3.16Å; I327-Q331 WeakPolarHBondContact O-CG 3.14Å; I327-Q331 PolarHBondContact O-N 3.08Å
328	V	97.1	Very high	89.6	Confident	60 Å²	60	64.5 Å²	64.5	36%	0.364	35%	0.352	S	S	.	.	H	α-helix	trans	-60.4	-44.3	177.6	177.9	0	0	0	0	110.8	Y138 F324 D330 A332	Y138-V328 HydrophobicContact CE2-CG2 3.94Å; F324-V328 PolarHBondContact O-N 2.88Å; V328-D330 PolarHBondContact O-N 2.93Å; V328-A332 WeakPolarHBondContact O-CB 3.26Å; V328-A332 PolarHBondContact O-N 2.88Å
329	K	96.4	Very high	86.8	Confident	126 Å²	126	71.6 Å²	71.6	55%	0.548	39%	0.386	S	S	.	.	H	α-helix	trans	-62.2	-42.4	179	-176.9	176.6	-176.7	175.3	0	112.5	Y325 P326 I327 R333	Y325-K329 VanDerWaalsContact O-CB 3.24Å; Y325-K329 WeakPolarHBondContact O-CB 3.41Å; Y325-K329 PolarHBondContact O-N 3.12Å; Y325-K329 VanDerWaalsContact O-N 3.1Å; P326-K329 PolarHBondContact O-N 2.93Å; I327-K329 VanDerWaalsContact C-N 3.33Å; I327-K329 PolarHBondContact O-N 2.81Å; K329-R333 WeakPolarHBondContact O-CD 3.4Å; K329-R333 WeakPolarHBondContact O-CG 3.38Å; K329-R333 PolarHBondContact O-N 3.35Å
330	D	95.2	Very high	84.1	Confident	40 Å²	40	76.9 Å²	76.9	21%	0.214	42%	0.422	C	S	.	.	H	α-helix	trans	-80.1	-32.2	-178.2	-69.8	-27.9	0	0	0	112.9	P326 I327 V328 R333 M334	P326-D330 PolarHBondContact O-N 3.3Å; I327-D330 PolarHBondContact O-N 3.4Å; V328-D330 PolarHBondContact O-N 2.93Å; D330-R333 WeakPolarHBondContact O-CB 3.39Å; D330-R333 PolarHBondContact O-N 2.78Å; D330-R333 WeakPolarHBondContact OD1-CD 3.48Å; D330-R333 IonicContact OD1-CZ 3.63Å; D330-R333 IonicContact OD1-NE 3.81Å; D330-R333 IonicContact OD1-NH1 2.68Å; D330-R333 PolarHBondContact OD1-NH1 3.47Å; D330-M334 WeakPolarHBondContact O-CG 3.41Å; D330-M334 PolarHBondContact O-N 3.15Å
331	Q	92.4	Very high	81.3	Confident	54 Å²	54	75 Å²	75	25%	0.252	43%	0.434	S	S	.	.	H	α-helix	trans	-63.7	-39.7	168.9	-70.2	-171.6	13.4	0	0	111.7	E139 I327 R333 M334 G335	E139-Q331 PolarHBondContact OE1-NE2 3.05Å; I327-Q331 HydrophobicContact CG2-CG 4.38Å; I327-Q331 WeakPolarHBondContact O-CB 3.16Å; I327-Q331 WeakPolarHBondContact O-CG 3.14Å; I327-Q331 PolarHBondContact O-N 3.08Å; Q331-R333 PolarHBondContact O-N 3.03Å; Q331-M334 PolarHBondContact O-N 3.03Å; Q331-G335 PolarHBondContact O-N 3.04Å
332	A	91.4	Very high	78.5	Confident	59 Å²	59	78 Å²	78	49%	0.488	47%	0.467	S	S	.	.	H	α-helix	trans	-64.4	-36.3	174.9	0	0	0	0	0	113.2	V328 S336	V328-A332 WeakPolarHBondContact O-CB 3.26Å; V328-A332 PolarHBondContact O-N 2.88Å; A332-S336 WeakPolarHBondContact O-CB 3.41Å; A332-S336 PolarHBondContact O-N 3.16Å; A332-S336 PolarHBondContact O-OG 3.39Å
333	R	90.2	Very high	75.6	Confident	145 Å²	145	81.3 Å²	81.3	55%	0.547	49%	0.492	S	S	.	.	H	α-helix	trans	-63.6	-49.9	173.5	-75.5	159.5	154.3	-175.4	-13	111.7	K329 D330 Q331 G335 S336 S337	K329-R333 WeakPolarHBondContact O-CD 3.4Å; K329-R333 WeakPolarHBondContact O-CG 3.38Å; K329-R333 PolarHBondContact O-N 3.35Å; D330-R333 WeakPolarHBondContact O-CB 3.39Å; D330-R333 PolarHBondContact O-N 2.78Å; D330-R333 WeakPolarHBondContact OD1-CD 3.48Å; D330-R333 IonicContact OD1-CZ 3.63Å; D330-R333 IonicContact OD1-NE 3.81Å; D330-R333 IonicContact OD1-NH1 2.68Å; D330-R333 PolarHBondContact OD1-NH1 3.47Å; Q331-R333 PolarHBondContact O-N 3.03Å; R333-G335 VanDerWaalsContact C-N 3.33Å; R333-G335 PolarHBondContact O-N 3.48Å; R333-S336 WeakPolarHBondContact O-CB 3.49Å; R333-S336 PolarHBondContact O-N 2.66Å; R333-S336 VanDerWaalsContact O-N 3.1Å; R333-S337 PolarHBondContact O-N 3.37Å; R333-S337 VanDerWaalsContact O-N 3.09Å; R333-S337 PolarHBondContact O-OG 3.17Å
334	M	84.1	Confident	73	Confident	123 Å²	123	87.3 Å²	87.3	61%	0.606	53%	0.529	S	S	*	.	H	α-helix	trans	-62.4	-37.6	179.3	-67.4	175.7	-170.9	0	0	112.7	D330 Q331 S336 S337	D330-M334 WeakPolarHBondContact O-CG 3.41Å; D330-M334 PolarHBondContact O-N 3.15Å; Q331-M334 PolarHBondContact O-N 3.03Å; M334-S336 VanDerWaalsContact C-N 3.31Å; M334-S336 PolarHBondContact O-N 2.85Å; M334-S337 WeakPolarHBondContact CA-OG 3.34Å; M334-S337 PolarHBondContact O-OG 2.99Å
335	G	71.8	Confident	70.3	Confident	52 Å²	52	93.1 Å²	93.1	54%	0.536	57%	0.566	S	S	.	*	H	α-helix	trans	-63.3	-36.6	173.3	0	0	0	0	0	113	Q331 R333	Q331-G335 PolarHBondContact O-N 3.04Å; R333-G335 VanDerWaalsContact C-N 3.33Å; R333-G335 PolarHBondContact O-N 3.48Å
336	S	65.3	Low	67.8	Low	86 Å²	86	92.8 Å²	92.8	60%	0.601	58%	0.579	S	S	*	*	H	α-helix	trans	-74.5	-33.7	-178.7	-57.6	0	0	0	0	112.9	A332 R333 M334 N338 M339	A332-S336 WeakPolarHBondContact O-CB 3.41Å; A332-S336 PolarHBondContact O-N 3.16Å; A332-S336 PolarHBondContact O-OG 3.39Å; R333-S336 WeakPolarHBondContact O-CB 3.49Å; R333-S336 PolarHBondContact O-N 2.66Å; R333-S336 VanDerWaalsContact O-N 3.1Å; M334-S336 VanDerWaalsContact C-N 3.31Å; M334-S336 PolarHBondContact O-N 2.85Å; S336-N338 PolarHBondContact O-N 3.32Å; S336-M339 PolarHBondContact O-N 3.15Å
337	S	59.9	Low	65	Low	87 Å²	87	96.1 Å²	96.1	61%	0.608	60%	0.603	S	S	*	*	H	α-helix	trans	-70.7	-13.7	179.6	46.8	0	0	0	0	115	R333 M334 M339	R333-S337 PolarHBondContact O-N 3.37Å; R333-S337 VanDerWaalsContact O-N 3.09Å; R333-S337 PolarHBondContact O-OG 3.17Å; M334-S337 WeakPolarHBondContact CA-OG 3.34Å; M334-S337 PolarHBondContact O-OG 2.99Å; S337-M339 VanDerWaalsContact C-N 3.35Å
338	N	51.9	Low	62.3	Low	142 Å²	142	101.2 Å²	101.2	76%	0.759	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	3.8	177.5	-76.8	0.9	0	0	0	113.8	S336	S336-N338 PolarHBondContact O-N 3.32Å
339	M	41.4	Very low	59.5	Low	148 Å²	148	103.1 Å²	103.1	73%	0.729	66%	0.661	S	S	*	*	S	Bend	trans	-89.7	124.5	167.3	-73.3	-70.3	-73.6	0	0	109.7	S336 S337 G341	S336-M339 PolarHBondContact O-N 3.15Å; S337-M339 VanDerWaalsContact C-N 3.35Å; M339-G341 PolarHBondContact O-N 2.6Å; M339-G341 VanDerWaalsContact O-N 3.12Å
340	P	41.7	Very low	56.9	Low	124 Å²	124	102.9 Å²	102.9	81%	0.805	68%	0.675	S	S	*	*			trans	-67.5	112.9	178.3	26.9	-33.1	0	0	0	110.4	G342	P340-G342 PolarHBondContact O-N 2.73Å
341	G	40.4	Very low	54.3	Low	77 Å²	77	109.2 Å²	109.2	79%	0.794	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-62.8	129.7	-179.7	0	0	0	0	0	112.4	M339	M339-G341 PolarHBondContact O-N 2.6Å; M339-G341 VanDerWaalsContact O-N 3.12Å
342	G	38.7	Very low	51.9	Low	73 Å²	73	114.5 Å²	114.5	75%	0.753	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-64	155.2	177	0	0	0	0	0	113.3	P340	P340-G342 PolarHBondContact O-N 2.73Å
343	S	39.3	Very low	49.4	Very low	123 Å²	123	117.9 Å²	117.9	86%	0.86	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-67.1	132.4	-173.3	39.1	0	0	0	0	114.1
344	T	43.2	Very low	46.8	Very low	126 Å²	126	114.5 Å²	114.5	77%	0.773	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-101.5	126.7	162.3	45.3	0	0	0	0	109.9
345	P	42.3	Very low	44.9	Very low	121 Å²	121	116.3 Å²	116.3	79%	0.786	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-82.2	128.2	176.2	31.3	-32.2	0	0	0	111
346	V	46.5	Very low	43.5	Very low	135 Å²	135	118.9 Å²	118.9	82%	0.818	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-93.4	128.5	170.4	-179.7	0	0	0	0	109.2
347	S	38.3	Very low	42.4	Very low	117 Å²	117	120 Å²	120	82%	0.818	79%	0.79	S	S	*	*			trans	-127.3	120.3	176	-73.6	0	0	0	0	110.8
348	S	41.1	Very low	41.8	Very low	107 Å²	107	122.8 Å²	122.8	75%	0.748	80%	0.803	S	S	*	*			trans	-151	85.5	173.1	59.9	0	0	0	0	112.4
349	A	37.8	Very low	41.4	Very low	101 Å²	101	121.3 Å²	121.3	84%	0.835	80%	0.801	S	S	*	*			trans	35.7	124.3	152.2	0	0	0	0	0	121.7
350	S	41.6	Very low	41.7	Very low	120 Å²	120	121.1 Å²	121.1	84%	0.839	81%	0.809	S	S	*	*			trans	-154.2	113.4	147.9	-79.8	0	0	0	0	112.8
351	M	41.1	Very low	41.7	Very low	173 Å²	173	120.8 Å²	120.8	85%	0.852	81%	0.807	S	S	*	*			trans	56.8	107.1	149.6	-58.3	-170.7	-178	0	0	123.2
352	M	41.3	Very low	42	Very low	166 Å²	166	123 Å²	123	82%	0.818	81%	0.81	S	S	*	*				84.1	139	124.8	-63.9	-178.3	71.3	0	0	123.6
353	S	39.6	Very low	42.2	Very low	130 Å²	130	125.5 Å²	125.5	91%	0.909	81%	0.813	S	S	*	*			trans	70	135.4	171.6	72.9	0	0	0	0	117.2
354	G	36.7	Very low	42.6	Very low	73 Å²	73	128.4 Å²	128.4	75%	0.753	82%	0.818	S	S	*	*			trans	168.9	-22	179.1	0	0	0	0	0	121.6
355	I	43.8	Very low	42.3	Very low	162 Å²	162	125.4 Å²	125.4	83%	0.831	81%	0.811	S	S	*	*			trans	60.4	123.2	163.9	-58.9	174.5	0	0	0	119.4
356	S	41.4	Very low	42.4	Very low	106 Å²	106	126 Å²	126	74%	0.741	82%	0.816	S	S	*	*			trans	86.2	137.2	152.7	-71.3	0	0	0	0	124.2
357	S	42.1	Very low	42.4	Very low	108 Å²	108	128.2 Å²	128.2	76%	0.755	82%	0.822	S	S	*	*			trans	47.9	106.6	156.3	51.3	0	0	0	0	119.3
358	V	48.1	Very low	42.5	Very low	146 Å²	146	127.6 Å²	127.6	89%	0.885	82%	0.824	S	S	*	*			cis	87.3	132.7	49.1	178.8	0	0	0	0	113.4
359	P	42.8	Very low	42.6	Very low	112 Å²	112	126.2 Å²	126.2	73%	0.727	83%	0.826	S	S	*	*			trans	-129.7	177	-151	44	-28.4	0	0	0	116.8
360	T	48.1	Very low	42.7	Very low	144 Å²	144	127.2 Å²	127.2	88%	0.883	83%	0.827	S	S	*	*			trans	-160.1	133.3	156.5	26.4	0	0	0	0	113.1
361	P	41.9	Very low	43	Very low	117 Å²	117	127.6 Å²	127.6	76%	0.76	83%	0.827	S	S	*	*			trans	-115.7	158.1	165.2	38.8	-29.8	0	0	0	113.6
362	S	47	Very low	42.9	Very low	124 Å²	124	125.8 Å²	125.8	87%	0.867	83%	0.825	S	S	*	*			trans	-162.4	133.6	168	-76.9	0	0	0	0	111.8
363	P	43.3	Very low	42.6	Very low	124 Å²	124	124.9 Å²	124.9	81%	0.805	82%	0.822	S	S	*	*			trans	-112.1	143	-175.2	38.3	-31.1	0	0	0	116
364	L	45.8	Very low	42.8	Very low	185 Å²	185	124.7 Å²	124.7	97%	0.969	82%	0.821	S	S	*	*			trans	-151.2	156.5	161.3	-69.7	177.1	0	0	0	107.4
365	G	37.8	Very low	42.8	Very low	62 Å²	62	125 Å²	125	64%	0.639	82%	0.816	S	S	*	*			cis	-178.6	148.5	-6.9	0	0	0	0	0	109.2
366	P	43.8	Very low	42.6	Very low	135 Å²	135	123.6 Å²	123.6	88%	0.877	82%	0.815	S	S	*	*			trans	-84.8	149.8	-168.5	33.1	-35.5	0	0	0	114.4
367	L	46.2	Very low	42.4	Very low	180 Å²	180	124.4 Å²	124.4	94%	0.942	82%	0.816	S	S	*	*			trans	-125.5	154.5	172.7	-84.7	166.9	0	0	0	110.7
368	A	40.5	Very low	42.4	Very low	105 Å²	105	125.5 Å²	125.5	87%	0.868	82%	0.818	S	S	*	*			trans	-120.3	156.2	-177.7	0	0	0	0	0	112.2
369	G	43.2	Very low	41.9	Very low	77 Å²	77	126.8 Å²	126.8	79%	0.794	82%	0.819	S	S	*	*			trans	-166.5	144.8	175.1	0	0	0	0	0	111.8
370	S	40.4	Very low	41.8	Very low	123 Å²	123	125 Å²	125	86%	0.86	82%	0.821	S	S	*	*			trans	-115.3	161.7	-169.7	-63.5	0	0	0	0	112.8
371	P	47.6	Very low	41.5	Very low	127 Å²	127	126.8 Å²	126.8	83%	0.825	82%	0.822	S	S	*	*			trans	-100.6	163	-163.7	38.7	-36.4	0	0	0	115.5
372	V	40.1	Very low	41.7	Very low	136 Å²	136	126.8 Å²	126.8	82%	0.824	82%	0.822	S	S	*	*			trans	-140.9	125.8	169.1	-178.3	0	0	0	0	113.4
373	I	35.4	Very low	41.9	Very low	146 Å²	146	127.6 Å²	127.6	75%	0.749	82%	0.821	S	S	*	*			trans	0.3	144	150.2	-53.6	170.5	0	0	0	120
374	S	42.8	Very low	42	Very low	126 Å²	126	127.2 Å²	127.2	88%	0.881	82%	0.819	S	S	*	*			trans	-145.9	155.3	146.2	-76.2	0	0	0	0	110.8
375	A	36.4	Very low	41.7	Very low	79 Å²	79	123.4 Å²	123.4	65%	0.653	81%	0.814	S	S	*	*			trans	-154.4	-169.5	-167	0	0	0	0	0	113.4
376	T	39	Very low	42.1	Very low	133 Å²	133	125.7 Å²	125.7	82%	0.816	83%	0.827	S	S	*	*			trans	77	146.2	178.4	76.9	0	0	0	0	115.2
377	T	38.3	Very low	41.9	Very low	124 Å²	124	124.5 Å²	124.5	76%	0.761	83%	0.829	S	S	*	*			cis	-137.8	-157.8	-7.1	-11.5	0	0	0	0	108.5
378	T	41.8	Very low	41.8	Very low	130 Å²	130	119.9 Å²	119.9	80%	0.798	82%	0.824	S	S	*	*			cis	-147.6	-151.1	15.9	-32.2	0	0	0	0	110.1
379	L	38.8	Very low	41.9	Very low	173 Å²	173	119.4 Å²	119.4	91%	0.906	82%	0.82	S	S	*	*			trans	-142	157.7	-172.1	-80.7	153	0	0	0	112.9
380	G	40.3	Very low	42.1	Very low	75 Å²	75	125 Å²	125	77%	0.773	83%	0.826	S	S	*	*			trans	-165.9	139.7	167.6	0	0	0	0	0	110.8
381	M	42.2	Very low	42.7	Very low	182 Å²	182	132 Å²	132	90%	0.897	85%	0.845	S	S	*	*			trans	-109.9	157	-166.7	-71.9	-174.6	71.2	0	0	114.6
382	P	46.1	Very low	42.5	Very low	117 Å²	117	132.3 Å²	132.3	76%	0.76	85%	0.846	S	S	*	*			trans	-92.4	165.6	-178.1	37.6	-36.9	0	0	0	114.4
383	V	50.6	Low	42.6	Very low	141 Å²	141	132.1 Å²	132.1	86%	0.855	85%	0.847	S	S	*	*			trans	-140.4	132.4	172.3	-178.6	0	0	0	0	110.3
384	P	44.6	Very low	43	Very low	116 Å²	116	131.3 Å²	131.3	75%	0.753	85%	0.853	S	S	*	*			trans	-114.1	158.8	175.7	39.2	-31	0	0	0	115.1
385	A	39	Very low	43	Very low	105 Å²	105	131.6 Å²	131.6	87%	0.868	85%	0.851	S	S	*	*			trans	58.2	114.6	151.9	0	0	0	0	0	121
386	A	46.5	Very low	43.5	Very low	109 Å²	109	134.9 Å²	134.9	90%	0.901	86%	0.863	S	S	*	*			trans	-146.4	148.5	145.1	0	0	0	0	0	109.1
387	A	40.2	Very low	43.8	Very low	111 Å²	111	135 Å²	135	92%	0.917	87%	0.866	S	S	*	*			trans	-112	151.4	179.2	0	0	0	0	0	111.3
388	G	43.5	Very low	44.2	Very low	83 Å²	83	135.8 Å²	135.8	86%	0.856	87%	0.874	S	S	*	*			trans	-161.3	136	174.8	0	0	0	0	0	110.7
389	A	44	Very low	44.3	Very low	95 Å²	95	136.2 Å²	136.2	79%	0.785	88%	0.88	S	S	*	*			trans	-132.5	178.2	180	0	0	0	0	0	110
390	Q	45.9	Very low	44.8	Very low	194 Å²	194	133.2 Å²	133.2	91%	0.907	88%	0.878	S	S	*	*			trans	76.5	118.3	-170.3	-48.7	174.3	-1.6	0	0	111.6
391	Q	54.7	Low	45.2	Very low	270 Å²	270	138.5 Å²	138.5	100%	1.262	89%	0.887	S	S	*	*			cis	-125.3	0	35	-69.2	176	-11.1	0	0	114.4

Retrieved 391 of 391 residues in 866.3 ms (Link to these results)

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