A0A5K4F6I0_SCHMA Loading...

Retinol dehydrogenase 12

AlphaFold DB , UniProt , Accession A0A5K4F6I0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 325 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	71.1	Confident	89.6	Confident	189 Å²	189	89.1 Å²	89.1	93%	0.931	44%	0.437	S	S	*	.				0	149.1	0	171.1	161.3	11.4	0	0	109.2	E3 R84	M1-E3 PolarHBondContact O-N 2.9Å; M1-R84 VanDerWaalsContact CG-NH1 3.29Å; M1-R84 PolarHBondContact SD-NH1 2.62Å; M1-R84 VanDerWaalsContact SD-NH1 3.4Å; M1-R84 PolarHBondContact SD-NH2 3.26Å
2	K	90.8	Very high	90.2	Very high	143 Å²	143	81.7 Å²	81.7	62%	0.622	40%	0.4	S	S	*	.			trans	-60.8	124.8	-177.7	-162.8	-177.7	-170.3	176.4	0	110.8	T4 R84	K2-T4 VanDerWaalsContact CD-O 3.3Å; K2-T4 WeakPolarHBondContact CD-O 3.39Å; K2-T4 WeakPolarHBondContact CE-O 3.18Å; K2-T4 VanDerWaalsContact CG-O 3.26Å; K2-T4 WeakPolarHBondContact CG-O 3.39Å; K2-R84 PolarHBondContact O-NH1 3.09Å
3	E	96.1	Very high	90.8	Very high	38 Å²	38	76.4 Å²	76.4	18%	0.178	38%	0.375	C	S	.	.			trans	-95.1	-10.9	-178	-64.4	-175.9	159	0	0	113.4	M1 I13 I14 Y275 T279 N281	M1-E3 PolarHBondContact O-N 2.9Å; E3-I13 VanDerWaalsContact O-CG1 3.31Å; E3-I13 WeakPolarHBondContact O-CG1 3.48Å; E3-I13 PolarHBondContact O-N 3.08Å; E3-I14 HydrophobicContact CB-CD1 4.05Å; E3-I14 HydrophobicContact CB-CG1 3.79Å; E3-I14 HydrophobicContact CG-CD1 4.23Å; E3-I14 HydrophobicContact CG-CG1 3.99Å; E3-Y275 HydrophobicContact CB-CE2 3.78Å; E3-Y275 WeakPolarHBondContact OE2-CE2 3.42Å; E3-Y275 VanDerWaalsContact OE2-CZ 3.27Å; E3-Y275 PolarHBondContact OE2-OH 3.31Å; E3-T279 PolarHBondContact OE1-OG1 2.77Å; E3-T279 VanDerWaalsContact OE1-OG1 3.09Å; E3-T279 PolarHBondContact OE2-OG1 3.41Å; E3-N281 PolarHBondContact OE1-ND2 2.92Å; E3-N281 VanDerWaalsContact OE1-ND2 3.11Å
4	T	96.9	Very high	91.3	Very high	17 Å²	17	71.9 Å²	71.9	10%	0.104	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	152	-176.5	63.9	0	0	0	0	113	K2 K10 L11 Y275 C291	K2-T4 VanDerWaalsContact CD-O 3.3Å; K2-T4 WeakPolarHBondContact CD-O 3.39Å; K2-T4 WeakPolarHBondContact CE-O 3.18Å; K2-T4 VanDerWaalsContact CG-O 3.26Å; K2-T4 WeakPolarHBondContact CG-O 3.39Å; T4-K10 HydrophobicContact CG2-CB 4.4Å; T4-K10 HydrophobicContact CG2-CD 4.35Å; T4-L11 CarbonylContact C-O 3.5Å; T4-L11 WeakPolarHBondContact CA-O 3.34Å; T4-L11 WeakPolarHBondContact CB-O 3.29Å; T4-Y275 HydrophobicContact CG2-CD2 3.91Å; T4-Y275 HydrophobicContact CG2-CE2 3.94Å; T4-C291 HydrophobicContact CG2-CB 3.46Å; T4-C291 VanDerWaalsContact CG2-CB 3.46Å
5	I	95.6	Very high	91.6	Very high	66 Å²	66	71.5 Å²	71.5	34%	0.338	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	149.3	170.9	176.5	176.1	0	0	0	110.4	K10 L11 I13	I5-K10 CarbonylContact O-C 3.42Å; I5-K10 WeakPolarHBondContact O-CA 3.15Å; I5-L11 HydrophobicContact CG2-CB 3.82Å; I5-L11 HydrophobicContact CG2-CD1 4.38Å; I5-L11 HydrophobicContact CG2-CG 4.41Å; I5-L11 PolarHBondContact N-O 2.83Å; I5-L11 PolarHBondContact O-N 3.48Å; I5-I13 HydrophobicContact CB-CD1 4.48Å; I5-I13 HydrophobicContact CB-CG2 3.99Å; I5-I13 HydrophobicContact CG2-CG2 3.3Å
6	G	92.7	Very high	91.9	Very high	40 Å²	40	71.8 Å²	71.8	41%	0.412	35%	0.351	S	S	.	.			trans	102.4	153.5	179.6	0	0	0	0	0	113.1
7	S	82.1	Confident	92.2	Very high	94 Å²	94	71.4 Å²	71.4	66%	0.657	35%	0.345	S	S	*	.	S	Bend	trans	-100	-61.9	-178.8	51.4	0	0	0	0	111.8
8	W	83	Confident	92.6	Very high	240 Å²	240	67.8 Å²	67.8	91%	0.909	33%	0.328	S	S	*	.	S	Bend	trans	-73.2	-44.3	-179.5	-61.3	106.4	0	0	0	112.3	N290	W8-N290 PolarHBondContact O-ND2 3.01Å
9	R	86.3	Confident	92.9	Very high	67 Å²	67	69.3 Å²	69.3	25%	0.253	34%	0.338	S	S	.	.	S	Bend	trans	-130.6	117.7	176.2	-171	167.1	-175.2	106	16	109.9	P236 T264 K268 N290	R9-P236 PolarHBondContact NH2-O 2.7Å; R9-T264 VanDerWaalsContact NE-CG2 3.3Å; R9-T264 VanDerWaalsContact NH1-CG2 3.3Å; R9-T264 PolarHBondContact NH1-OG1 3.24Å; R9-T264 VanDerWaalsContact NH2-CG2 3.32Å; R9-K268 PolarHBondContact NH2-O 3.36Å; R9-N290 WeakPolarHBondContact CA-OD1 3.45Å
10	K	94.5	Very high	93.1	Very high	56 Å²	56	68.5 Å²	68.5	24%	0.243	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-85.3	135.8	-177.6	-70.3	-179.6	-175.9	177.4	0	110.5	T4 I5 N290 C291 T292	T4-K10 HydrophobicContact CG2-CB 4.4Å; T4-K10 HydrophobicContact CG2-CD 4.35Å; I5-K10 CarbonylContact O-C 3.42Å; I5-K10 WeakPolarHBondContact O-CA 3.15Å; K10-N290 WeakPolarHBondContact CD-O 3.15Å; K10-N290 PolarHBondContact N-OD1 3.36Å; K10-C291 HydrophobicContact CB-CB 4.12Å; K10-T292 PolarHBondContact NZ-OG1 3.35Å
11	L	96.3	Very high	93.3	Very high	30 Å²	30	68.6 Å²	68.6	16%	0.157	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	145.1	166.4	-49	176.6	0	0	0	108.7	T4 I5 A81 W267 K268 Q271	T4-L11 CarbonylContact C-O 3.5Å; T4-L11 WeakPolarHBondContact CA-O 3.34Å; T4-L11 WeakPolarHBondContact CB-O 3.29Å; I5-L11 HydrophobicContact CG2-CB 3.82Å; I5-L11 HydrophobicContact CG2-CD1 4.38Å; I5-L11 HydrophobicContact CG2-CG 4.41Å; I5-L11 PolarHBondContact N-O 2.83Å; I5-L11 PolarHBondContact O-N 3.48Å; L11-A81 HydrophobicContact CB-CB 3.86Å; L11-A81 HydrophobicContact CD1-CB 4.12Å; L11-W267 HydrophobicContact CD1-CH2 3.9Å; L11-W267 HydrophobicContact CD1-CZ3 4.24Å; L11-W267 HydrophobicContact CD2-CH2 4.29Å; L11-W267 HydrophobicContact CD2-CZ3 4.15Å; L11-K268 HydrophobicContact CD2-CG 4.09Å; L11-Q271 HydrophobicContact CB-CG 4.47Å; L11-Q271 HydrophobicContact CD2-CG 3.83Å
12	C	97.4	Very high	94.7	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	130.7	174.6	-176.3	0	0	0	0	109.2	A81 L274	C12-A81 WeakPolarHBondContact O-CB 3.45Å; C12-L274 HydrophobicContact CB-CB 4.49Å
13	I	97.3	Very high	95.1	Very high	13 Å²	13	53.7 Å²	53.7	7%	0.067	28%	0.277	C	S	.	.			trans	-123.5	19.9	176.5	61.8	167.6	0	0	0	113	E3 I5 N15 A81 C82 V85	E3-I13 VanDerWaalsContact O-CG1 3.31Å; E3-I13 WeakPolarHBondContact O-CG1 3.48Å; E3-I13 PolarHBondContact O-N 3.08Å; I5-I13 HydrophobicContact CB-CD1 4.48Å; I5-I13 HydrophobicContact CB-CG2 3.99Å; I5-I13 HydrophobicContact CG2-CG2 3.3Å; I13-N15 PolarHBondContact O-N 2.96Å; I13-A81 HydrophobicContact CG2-CB 4.1Å; I13-C82 HydrophobicContact CG2-CB 4.5Å; I13-C82 WeakPolarHBondContact CG2-SG 3.16Å; I13-V85 VanDerWaalsContact CA-CG2 3.48Å; I13-V85 HydrophobicContact CB-CG2 3.96Å; I13-V85 HydrophobicContact CG2-CG2 4.19Å
14	I	97.7	Very high	95.2	Very high	14 Å²	14	51.9 Å²	51.9	7%	0.072	27%	0.269	C	S	.	.			trans	-67.6	122.1	171.7	-61.7	162.8	0	0	0	107.4	E3 K16 R43 Y275 L278	E3-I14 HydrophobicContact CB-CD1 4.05Å; E3-I14 HydrophobicContact CB-CG1 3.79Å; E3-I14 HydrophobicContact CG-CD1 4.23Å; E3-I14 HydrophobicContact CG-CG1 3.99Å; I14-K16 VanDerWaalsContact C-N 3.35Å; I14-K16 HydrophobicContact CG2-CB 3.81Å; I14-K16 PolarHBondContact O-N 3.15Å; I14-R43 VanDerWaalsContact O-CZ 3.3Å; I14-R43 PolarHBondContact O-NH1 3.11Å; I14-R43 PolarHBondContact O-NH2 2.75Å; I14-Y275 HydrophobicContact CD1-CD2 3.97Å; I14-Y275 HydrophobicContact CD1-CE2 4.12Å; I14-L278 HydrophobicContact CB-CB 4.09Å; I14-L278 HydrophobicContact CD1-CB 4.01Å; I14-L278 HydrophobicContact CG2-CB 3.89Å
15	N	95.9	Very high	95.3	Very high	65 Å²	65	51.1 Å²	51.1	35%	0.348	26%	0.264	S	S	.	.			trans	-98.7	45.2	-176.1	62.9	-47.2	0	0	0	112.1	I13 R84	I13-N15 PolarHBondContact O-N 2.96Å; N15-R84 HydrophobicContact CB-CG 4.24Å; N15-R84 WeakPolarHBondContact CB-O 2.98Å; N15-R84 PolarHBondContact OD1-NE 2.87Å; N15-R84 PolarHBondContact OD1-NH2 3.04Å
16	K	96.3	Very high	95.4	Very high	76 Å²	76	48 Å²	48	33%	0.33	25%	0.248	S	C	.	.			trans	-89.7	134.7	-177.2	-166.9	174.2	-153.5	176.1	0	111.5	I14 R43 L278 D280	I14-K16 VanDerWaalsContact C-N 3.35Å; I14-K16 HydrophobicContact CG2-CB 3.81Å; I14-K16 PolarHBondContact O-N 3.15Å; K16-R43 PolarHBondContact O-NH1 3.32Å; K16-L278 HydrophobicContact CB-CD2 4.35Å; K16-D280 IonicContact NZ-OD1 3.48Å; K16-D280 PolarHBondContact NZ-OD1 3.24Å; K16-D280 IonicContact NZ-OD2 3.62Å
17	R	97.8	Very high	95.6	Very high	66 Å²	66	47 Å²	47	25%	0.249	24%	0.238	C	C	.	.			trans	-83.1	155.6	167.8	-73.4	-63.5	-62.7	176.7	-1.5	111.1	D19 R42 R43 S88	R17-D19 WeakPolarHBondContact CB-OD2 3.31Å; R17-D19 IonicContact CZ-OD1 2.72Å; R17-D19 IonicContact CZ-OD2 3.88Å; R17-D19 IonicContact NE-OD1 3.43Å; R17-D19 IonicContact NE-OD2 3.78Å; R17-D19 PolarHBondContact NE-OD2 2.88Å; R17-D19 IonicContact NH2-OD1 2.95Å; R17-D19 PolarHBondContact NH2-OD1 2.99Å; R17-D19 IonicContact NH2-OD2 2.7Å; R17-D19 PolarHBondContact NH2-OD2 3.4Å; R17-R42 PolarHBondContact NH1-O 3.34Å; R17-R43 PolarHBondContact NE-O 3.39Å; R17-R43 VanDerWaalsContact NE-O 3.08Å; R17-R43 VanDerWaalsContact NH1-CA 3.29Å; R17-R43 PolarHBondContact NH1-O 3.07Å; R17-R43 PolarHBondContact NH2-O 3.28Å; R17-S88 VanDerWaalsContact CD-O 3.29Å; R17-S88 WeakPolarHBondContact CD-O 3.27Å; R17-S88 PolarHBondContact NH1-O 3.19Å
18	L	98.5	Very high	96.2	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.037	21%	0.206	C	C	.	.			trans	-131	25.1	-176.6	-61.1	179.9	0	0	0	111.2	G20 K21 L40 R43 G44 A45 F126 L278	L18-G20 PolarHBondContact O-N 3.04Å; L18-K21 HydrophobicContact CB-CB 4.14Å; L18-K21 HydrophobicContact CB-CG 4.14Å; L18-K21 HydrophobicContact CD2-CG 4.34Å; L18-K21 WeakPolarHBondContact O-CB 3.42Å; L18-K21 WeakPolarHBondContact O-CG 3.16Å; L18-K21 PolarHBondContact O-N 3.4Å; L18-L40 HydrophobicContact CD1-CB 4.4Å; L18-L40 HydrophobicContact CD1-CD2 3.39Å; L18-L40 HydrophobicContact CD1-CG 4.48Å; L18-R43 WeakPolarHBondContact CA-O 3.4Å; L18-R43 HydrophobicContact CB-CB 4.12Å; L18-R43 HydrophobicContact CD1-CB 4.02Å; L18-R43 HydrophobicContact CG-CB 3.96Å; L18-R43 PolarHBondContact N-O 3.26Å; L18-G44 CarbonylContact O-C 3.43Å; L18-A45 HydrophobicContact CB-CB 3.91Å; L18-A45 HydrophobicContact CD1-CB 4.35Å; L18-A45 WeakPolarHBondContact O-CA 3.46Å; L18-A45 PolarHBondContact O-N 3.13Å; L18-F126 HydrophobicContact CD1-CE2 4.2Å; L18-F126 HydrophobicContact CD2-CE2 3.9Å; L18-F126 HydrophobicContact CD2-CZ 3.81Å; L18-L278 HydrophobicContact CD1-CD2 3.96Å; L18-L278 HydrophobicContact CD2-CD2 4.08Å; L18-L278 HydrophobicContact CG-CD2 4.17Å
19	D	98.1	Very high	96.8	Very high	96 Å²	96	32.4 Å²	32.4	51%	0.513	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	133.6	175	-57.5	-76.2	0	0	0	110.7	R17 K21	R17-D19 WeakPolarHBondContact CB-OD2 3.31Å; R17-D19 IonicContact CZ-OD1 2.72Å; R17-D19 IonicContact CZ-OD2 3.88Å; R17-D19 IonicContact NE-OD1 3.43Å; R17-D19 IonicContact NE-OD2 3.78Å; R17-D19 PolarHBondContact NE-OD2 2.88Å; R17-D19 IonicContact NH2-OD1 2.95Å; R17-D19 PolarHBondContact NH2-OD1 2.99Å; R17-D19 IonicContact NH2-OD2 2.7Å; R17-D19 PolarHBondContact NH2-OD2 3.4Å; D19-K21 PolarHBondContact O-N 2.77Å
20	G	97.4	Very high	97	Very high	53 Å²	53	31.8 Å²	31.8	55%	0.546	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	6.9	-177.5	0	0	0	0	0	115.4	L18 K123	L18-G20 PolarHBondContact O-N 3.04Å; G20-K123 PolarHBondContact O-NZ 3.17Å
21	K	98.7	Very high	96.8	Very high	70 Å²	70	29.9 Å²	29.9	30%	0.304	17%	0.17	S	C	.	.			trans	-93.2	144.2	173.3	-57.3	-66.8	-175.7	-179.2	0	110.9	L18 D19 A45 T46 D125 F126	L18-K21 HydrophobicContact CB-CB 4.14Å; L18-K21 HydrophobicContact CB-CG 4.14Å; L18-K21 HydrophobicContact CD2-CG 4.34Å; L18-K21 WeakPolarHBondContact O-CB 3.42Å; L18-K21 WeakPolarHBondContact O-CG 3.16Å; L18-K21 PolarHBondContact O-N 3.4Å; D19-K21 PolarHBondContact O-N 2.77Å; K21-A45 HydrophobicContact CB-CB 4.46Å; K21-A45 CarbonylContact O-C 3.56Å; K21-A45 VanDerWaalsContact O-CA 3.27Å; K21-A45 WeakPolarHBondContact O-CA 3.46Å; K21-T46 PolarHBondContact O-N 3.39Å; K21-D125 VanDerWaalsContact CA-OD2 3.31Å; K21-D125 WeakPolarHBondContact CA-OD2 3.37Å; K21-D125 HydrophobicContact CB-CB 4.16Å; K21-D125 HydrophobicContact CD-CB 3.87Å; K21-D125 WeakPolarHBondContact CD-OD1 3.19Å; K21-D125 WeakPolarHBondContact CE-OD1 3.46Å; K21-D125 IonicContact NZ-OD1 3.05Å; K21-D125 PolarHBondContact NZ-OD1 3.34Å; K21-F126 HydrophobicContact CB-CE2 4Å; K21-F126 HydrophobicContact CG-CE2 4.35Å
22	I	98.9	Very high	96.7	Very high	20 Å²	20	29.3 Å²	29.3	10%	0.103	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.1	179.2	-52.2	177	0	0	0	109.5	T46 I48 Y121 K123 I124 D125 F126	I22-T46 WeakPolarHBondContact CA-O 3.28Å; I22-I48 HydrophobicContact CG2-CD1 3.82Å; I22-I48 HydrophobicContact CG2-CG1 4.24Å; I22-Y121 HydrophobicContact CD1-CD1 3.76Å; I22-Y121 HydrophobicContact CD1-CE1 4.39Å; I22-K123 HydrophobicContact CD1-CG 4.46Å; I22-I124 HydrophobicContact CB-CD1 4.35Å; I22-I124 HydrophobicContact CG2-CD1 3.68Å; I22-D125 PolarHBondContact N-OD2 3.46Å; I22-D125 PolarHBondContact O-N 3.01Å; I22-F126 PolarHBondContact O-N 2.81Å; I22-F126 VanDerWaalsContact O-N 3.12Å
23	A	98.9	Very high	96.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	133	178.5	0	0	0	0	0	111.6	L40 T46 I47 I48 F126	A23-L40 HydrophobicContact CB-CD1 4.08Å; A23-T46 PolarHBondContact N-O 2.86Å; A23-I47 HydrophobicContact CB-CD1 3.88Å; A23-I47 CarbonylContact O-C 3.56Å; A23-I47 WeakPolarHBondContact O-CA 3.49Å; A23-I48 PolarHBondContact O-N 3.5Å; A23-F126 CarbonylContact C-O 3.57Å; A23-F126 VanDerWaalsContact CA-O 3.29Å; A23-F126 WeakPolarHBondContact CA-O 3.46Å; A23-F126 HydrophobicContact CB-CB 3.86Å; A23-F126 HydrophobicContact CB-CD2 4.12Å; A23-F126 HydrophobicContact CB-CG 4.46Å
24	I	99	Very high	96.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	124.8	165.1	-64.9	167.6	0	0	0	107.8	I48 A50 F113 I117 I124 F126 L127 I128 L163	I24-I48 HydrophobicContact CD1-CD1 4.48Å; I24-I48 HydrophobicContact CG1-CB 3.89Å; I24-I48 HydrophobicContact CG1-CD1 3.89Å; I24-I48 HydrophobicContact CG1-CG1 4.43Å; I24-I48 HydrophobicContact CG1-CG2 4.2Å; I24-A50 HydrophobicContact CG2-CB 3.97Å; I24-F113 HydrophobicContact CD1-CE1 4.34Å; I24-F113 HydrophobicContact CD1-CZ 4.42Å; I24-F113 HydrophobicContact CG2-CZ 4.12Å; I24-I117 HydrophobicContact CD1-CG2 4.18Å; I24-I124 HydrophobicContact CD1-CD1 3.8Å; I24-I124 HydrophobicContact CD1-CG1 3.95Å; I24-I124 HydrophobicContact CD1-CG2 4.08Å; I24-I124 HydrophobicContact CG1-CD1 4.03Å; I24-I124 HydrophobicContact CG1-CG2 4.27Å; I24-F126 PolarHBondContact N-O 2.72Å; I24-L127 HydrophobicContact CB-CD1 3.89Å; I24-L127 HydrophobicContact CG2-CD1 3.8Å; I24-I128 PolarHBondContact O-N 2.82Å; I24-L163 HydrophobicContact CD1-CD1 3.56Å
25	V	98.9	Very high	96.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	109	174.2	-167.7	0	0	0	0	109.4	C28 A37 L40 I47 I48 A50 I128	V25-C28 HydrophobicContact CB-CB 3.96Å; V25-C28 HydrophobicContact CG1-CB 3.67Å; V25-C28 PolarHBondContact O-SG 2.96Å; V25-A37 HydrophobicContact CG2-CB 4.38Å; V25-L40 HydrophobicContact CG2-CD1 4.29Å; V25-I47 HydrophobicContact CG2-CG2 4.13Å; V25-I48 PolarHBondContact N-O 3.38Å; V25-A50 PolarHBondContact O-N 2.73Å; V25-I128 HydrophobicContact CB-CB 4.44Å; V25-I128 HydrophobicContact CG1-CB 4.13Å; V25-I128 HydrophobicContact CG1-CG2 4.32Å; V25-I128 HydrophobicContact CG2-CB 4.25Å; V25-I128 HydrophobicContact CG2-CG1 4.02Å
26	T	98.7	Very high	96.8	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	136.6	178.9	58.2	0	0	0	0	111.4	C28 A50 L102 I128 N129 N130 A131 L159	T26-C28 VanDerWaalsContact C-N 3.31Å; T26-C28 PolarHBondContact O-N 3.13Å; T26-A50 CarbonylContact C-O 3.5Å; T26-A50 WeakPolarHBondContact CA-O 3.43Å; T26-A50 HydrophobicContact CG2-CB 4.39Å; T26-L102 HydrophobicContact CG2-CD2 3.93Å; T26-I128 PolarHBondContact N-O 2.9Å; T26-I128 VanDerWaalsContact N-O 3.1Å; T26-I128 PolarHBondContact OG1-O 3.31Å; T26-N129 WeakPolarHBondContact OG1-CA 3.45Å; T26-N130 WeakPolarHBondContact O-CB 3.42Å; T26-N130 PolarHBondContact O-ND2 3.13Å; T26-N130 PolarHBondContact OG1-N 2.78Å; T26-A131 PolarHBondContact O-N 2.75Å; T26-A131 PolarHBondContact OG1-N 3.04Å; T26-L159 HydrophobicContact CG2-CD2 3.84Å
27	G	95.4	Very high	96.9	Very high	19 Å²	19	23.6 Å²	23.6	20%	0.196	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	37.3	175.8	0	0	0	0	0	113.6	N29 A50 N130	G27-N29 VanDerWaalsContact C-N 3.29Å; G27-N29 PolarHBondContact O-N 2.92Å; G27-A50 PolarHBondContact N-O 3.16Å; G27-N130 PolarHBondContact O-ND2 3.39Å
28	C	96.3	Very high	96.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	11.5	-178.1	60.4	0	0	0	0	114.5	V25 T26 T30 G33 F34 A37 M49	V25-C28 HydrophobicContact CB-CB 3.96Å; V25-C28 HydrophobicContact CG1-CB 3.67Å; V25-C28 PolarHBondContact O-SG 2.96Å; T26-C28 VanDerWaalsContact C-N 3.31Å; T26-C28 PolarHBondContact O-N 3.13Å; C28-T30 PolarHBondContact O-N 2.84Å; C28-G33 VanDerWaalsContact CB-C 3.5Å; C28-G33 WeakPolarHBondContact CB-O 3.17Å; C28-F34 WeakPolarHBondContact O-CA 3.45Å; C28-F34 WeakPolarHBondContact O-CB 3.18Å; C28-F34 PolarHBondContact O-N 2.86Å; C28-A37 HydrophobicContact CB-CB 3.97Å; C28-M49 VanDerWaalsContact SG-CA 3.53Å; C28-M49 VanDerWaalsContact SG-CB 3.55Å
29	N	93.8	Very high	96.9	Very high	28 Å²	28	20.4 Å²	20.4	15%	0.15	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-9.1	175.1	64.4	-67.1	0	0	0	113.5	G27 R56 A60	G27-N29 VanDerWaalsContact C-N 3.29Å; G27-N29 PolarHBondContact O-N 2.92Å; N29-R56 HydrophobicContact CB-CB 4.42Å; N29-A60 VanDerWaalsContact CA-CB 3.49Å; N29-A60 HydrophobicContact CB-CB 3.96Å
30	T	91.5	Very high	97	Very high	53 Å²	53	15.8 Å²	15.8	33%	0.325	10%	0.101	S	C	.	.	S	Bend	trans	-156.9	175.4	175.9	-169.4	0	0	0	0	111.6	C28 F34	C28-T30 PolarHBondContact O-N 2.84Å; T30-F34 PolarHBondContact O-N 3.01Å; T30-F34 VanDerWaalsContact O-N 3.17Å
31	G	90.9	Very high	97	Very high	16 Å²	16	13.3 Å²	13.3	17%	0.165	8%	0.075	C	C	.	.	H	α-helix	trans	59.5	-142.6	166.3	0	0	0	0	0	114.5	G33 F34 Y35	G31-G33 VanDerWaalsContact C-N 3.32Å; G31-G33 PolarHBondContact O-N 2.71Å; G31-F34 WeakPolarHBondContact O-CB 3.44Å; G31-F34 PolarHBondContact O-N 3.18Å; G31-Y35 WeakPolarHBondContact O-CD2 3.46Å
32	I	93.5	Very high	97	Very high	19 Å²	19	10 Å²	10	10%	0.097	6%	0.06	C	C	.	.	H	α-helix	trans	-63.1	-39.6	-176.2	-65.5	156.6	0	0	0	111.2	F34 Y35 T36 P236 V239 A270	I32-F34 VanDerWaalsContact C-N 3.32Å; I32-F34 PolarHBondContact O-N 3.13Å; I32-Y35 PolarHBondContact O-N 3.2Å; I32-T36 WeakPolarHBondContact O-CB 3.48Å; I32-T36 PolarHBondContact O-N 2.87Å; I32-T36 PolarHBondContact O-OG1 2.86Å; I32-P236 HydrophobicContact CD1-CB 3.55Å; I32-P236 HydrophobicContact CD1-CG 3.59Å; I32-P236 HydrophobicContact CG1-CB 4.42Å; I32-V239 HydrophobicContact CD1-CB 4.25Å; I32-V239 HydrophobicContact CD1-CG1 4.48Å; I32-V239 HydrophobicContact CD1-CG2 3.88Å; I32-V239 HydrophobicContact CG1-CG1 4.25Å; I32-V239 HydrophobicContact CG1-CG2 4.14Å; I32-A270 HydrophobicContact CG2-CB 4.25Å
33	G	95.7	Very high	97	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-60.9	-40.2	178.9	0	0	0	0	0	112.4	C28 G31 T36 A37 N130	C28-G33 VanDerWaalsContact CB-C 3.5Å; C28-G33 WeakPolarHBondContact CB-O 3.17Å; G31-G33 VanDerWaalsContact C-N 3.32Å; G31-G33 PolarHBondContact O-N 2.71Å; G33-T36 PolarHBondContact O-N 2.68Å; G33-A37 WeakPolarHBondContact O-CB 3.25Å; G33-A37 PolarHBondContact O-N 3.5Å; G33-N130 VanDerWaalsContact CA-ND2 3.34Å; G33-N130 WeakPolarHBondContact CA-ND2 3.16Å; G33-N130 PolarHBondContact N-OD1 3.38Å
34	F	97.8	Very high	97	Very high	4 Å²	4	9.6 Å²	9.6	2%	0.018	6%	0.06	C	C	.	.	H	α-helix	trans	-58.2	-50	176.3	178	-89.9	0	0	0	112.4	C28 T30 G31 I32 T36 A37 S38 A60 R63 L64 M67	C28-F34 WeakPolarHBondContact O-CA 3.45Å; C28-F34 WeakPolarHBondContact O-CB 3.18Å; C28-F34 PolarHBondContact O-N 2.86Å; T30-F34 PolarHBondContact O-N 3.01Å; T30-F34 VanDerWaalsContact O-N 3.17Å; G31-F34 WeakPolarHBondContact O-CB 3.44Å; G31-F34 PolarHBondContact O-N 3.18Å; I32-F34 VanDerWaalsContact C-N 3.32Å; I32-F34 PolarHBondContact O-N 3.13Å; F34-T36 VanDerWaalsContact C-N 3.35Å; F34-A37 PolarHBondContact O-N 3.01Å; F34-S38 WeakPolarHBondContact O-CB 3.43Å; F34-S38 PolarHBondContact O-N 2.8Å; F34-A60 HydrophobicContact CD2-CB 4.18Å; F34-A60 HydrophobicContact CE2-CB 4.29Å; F34-R63 HydrophobicContact CE2-CB 4.2Å; F34-R63 HydrophobicContact CZ-CB 4.2Å; F34-L64 HydrophobicContact CD1-CD2 4.27Å; F34-L64 HydrophobicContact CD2-CD2 4.1Å; F34-L64 HydrophobicContact CD2-CG 4.17Å; F34-L64 HydrophobicContact CE1-CD2 3.78Å; F34-L64 HydrophobicContact CE2-CD1 4.42Å; F34-L64 HydrophobicContact CE2-CD2 3.6Å; F34-L64 HydrophobicContact CE2-CG 3.55Å; F34-L64 HydrophobicContact CG-CD2 4.42Å; F34-L64 HydrophobicContact CZ-CD2 3.42Å; F34-L64 VanDerWaalsContact CZ-CD2 3.42Å; F34-L64 HydrophobicContact CZ-CG 3.8Å; F34-M67 HydrophobicContact CE1-SD 4.11Å; F34-M67 HydrophobicContact CZ-SD 4.06Å
35	Y	97.9	Very high	97	Very high	43 Å²	43	9.6 Å²	9.6	17%	0.169	6%	0.06	C	C	.	.	H	α-helix	trans	-75	-25.2	179.5	-70.2	-81.4	0	0	0	113.2	G31 I32 S38 E39 Y68 D79 P266 W267	G31-Y35 WeakPolarHBondContact O-CD2 3.46Å; I32-Y35 PolarHBondContact O-N 3.2Å; Y35-S38 WeakPolarHBondContact CA-OG 3.42Å; Y35-S38 PolarHBondContact O-OG 3.32Å; Y35-S38 VanDerWaalsContact O-OG 3.08Å; Y35-E39 PolarHBondContact O-N 3.02Å; Y35-E39 VanDerWaalsContact O-N 3.16Å; Y35-Y68 WeakPolarHBondContact CE1-OH 3.46Å; Y35-D79 WeakPolarHBondContact CE1-OD2 3.27Å; Y35-P266 HydrophobicContact CD2-CB 3.71Å; Y35-P266 HydrophobicContact CE2-CB 3.75Å; Y35-P266 HydrophobicContact CE2-CG 4.44Å; Y35-W267 HydrophobicContact CD1-CB 3.6Å; Y35-W267 AromaticContact CD1-CD1 3.73Å; Y35-W267 HydrophobicContact CD1-CG 4.06Å; Y35-W267 HydrophobicContact CD2-CB 4.21Å; Y35-W267 HydrophobicContact CE1-CB 3.79Å; Y35-W267 HydrophobicContact CE1-CG 4.44Å; Y35-W267 HydrophobicContact CE2-CB 4.41Å; Y35-W267 HydrophobicContact CG-CB 3.81Å; Y35-W267 HydrophobicContact CG-CG 4.49Å
36	T	98.7	Very high	97	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-67	-49.4	170.8	-56.1	0	0	0	0	109.8	I32 G33 F34 S38 E39 L40 I128 A270 T273	I32-T36 WeakPolarHBondContact O-CB 3.48Å; I32-T36 PolarHBondContact O-N 2.87Å; I32-T36 PolarHBondContact O-OG1 2.86Å; G33-T36 PolarHBondContact O-N 2.68Å; F34-T36 VanDerWaalsContact C-N 3.35Å; T36-S38 VanDerWaalsContact C-N 3.34Å; T36-S38 PolarHBondContact O-N 3.44Å; T36-E39 PolarHBondContact O-N 3.28Å; T36-L40 HydrophobicContact CG2-CD1 3.99Å; T36-L40 HydrophobicContact CG2-CG 4.49Å; T36-L40 WeakPolarHBondContact O-CB 3.46Å; T36-L40 VanDerWaalsContact O-CG 3.22Å; T36-L40 WeakPolarHBondContact O-CG 3.3Å; T36-L40 PolarHBondContact O-N 2.78Å; T36-L40 VanDerWaalsContact O-N 3.11Å; T36-I128 HydrophobicContact CG2-CG2 4.39Å; T36-A270 WeakPolarHBondContact OG1-CB 3.48Å; T36-T273 HydrophobicContact CG2-CG2 3.65Å
37	A	98.8	Very high	97	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-58.7	-44.8	175.5	0	0	0	0	0	111.6	V25 C28 G33 F34 L40 A41 I47	V25-A37 HydrophobicContact CG2-CB 4.38Å; C28-A37 HydrophobicContact CB-CB 3.97Å; G33-A37 WeakPolarHBondContact O-CB 3.25Å; G33-A37 PolarHBondContact O-N 3.5Å; F34-A37 PolarHBondContact O-N 3.01Å; A37-L40 PolarHBondContact O-N 2.97Å; A37-A41 WeakPolarHBondContact O-CB 3.41Å; A37-A41 PolarHBondContact O-N 2.98Å; A37-I47 HydrophobicContact CB-CG2 3.95Å
38	S	98.5	Very high	97.1	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.014	6%	0.062	C	C	.	.	H	α-helix	trans	-60.2	-49.7	-179.3	80.7	0	0	0	0	112.3	F34 Y35 T36 A41 R42 Y68	F34-S38 WeakPolarHBondContact O-CB 3.43Å; F34-S38 PolarHBondContact O-N 2.8Å; Y35-S38 WeakPolarHBondContact CA-OG 3.42Å; Y35-S38 PolarHBondContact O-OG 3.32Å; Y35-S38 VanDerWaalsContact O-OG 3.08Å; T36-S38 VanDerWaalsContact C-N 3.34Å; T36-S38 PolarHBondContact O-N 3.44Å; S38-A41 PolarHBondContact O-N 2.59Å; S38-R42 WeakPolarHBondContact O-CB 3Å; S38-R42 WeakPolarHBondContact O-CG 3.38Å; S38-R42 PolarHBondContact O-N 2.72Å; S38-Y68 VanDerWaalsContact CB-CE2 3.48Å
39	E	98.5	Very high	97.2	Very high	4 Å²	4	10.5 Å²	10.5	2%	0.019	6%	0.062	C	C	.	.	H	α-helix	trans	-72.8	-34	-176.1	-167.7	176.8	137.6	0	0	112	Y35 T36 R42 R43 L89 L274	Y35-E39 PolarHBondContact O-N 3.02Å; Y35-E39 VanDerWaalsContact O-N 3.16Å; T36-E39 PolarHBondContact O-N 3.28Å; E39-R42 PolarHBondContact O-N 2.81Å; E39-R43 WeakPolarHBondContact O-CB 3.34Å; E39-R43 WeakPolarHBondContact O-CD 3.24Å; E39-R43 WeakPolarHBondContact O-CG 3.43Å; E39-R43 PolarHBondContact O-N 3.27Å; E39-R43 IonicContact OE1-CZ 3.56Å; E39-R43 IonicContact OE1-NE 3.93Å; E39-R43 PolarHBondContact OE1-NE 3.12Å; E39-R43 VanDerWaalsContact OE1-NE 3.15Å; E39-R43 IonicContact OE1-NH2 2.83Å; E39-R43 PolarHBondContact OE1-NH2 3.07Å; E39-L89 HydrophobicContact CG-CD2 3.79Å; E39-L274 HydrophobicContact CB-CD1 3.99Å; E39-L274 HydrophobicContact CB-CD2 3.77Å; E39-L274 VanDerWaalsContact CD-CD1 3.41Å; E39-L274 HydrophobicContact CG-CD1 4.2Å; E39-L274 HydrophobicContact CG-CD2 4.09Å; E39-L274 WeakPolarHBondContact OE2-CD1 3.31Å
40	L	98.9	Very high	97.5	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-63.2	-43.5	172	-65.9	175.8	0	0	0	111.4	L18 A23 V25 T36 A37 R43 G44 A45 I47 I128 L274 A277	L18-L40 HydrophobicContact CD1-CB 4.4Å; L18-L40 HydrophobicContact CD1-CD2 3.39Å; L18-L40 HydrophobicContact CD1-CG 4.48Å; A23-L40 HydrophobicContact CB-CD1 4.08Å; V25-L40 HydrophobicContact CG2-CD1 4.29Å; T36-L40 HydrophobicContact CG2-CD1 3.99Å; T36-L40 HydrophobicContact CG2-CG 4.49Å; T36-L40 WeakPolarHBondContact O-CB 3.46Å; T36-L40 VanDerWaalsContact O-CG 3.22Å; T36-L40 WeakPolarHBondContact O-CG 3.3Å; T36-L40 PolarHBondContact O-N 2.78Å; T36-L40 VanDerWaalsContact O-N 3.11Å; A37-L40 PolarHBondContact O-N 2.97Å; L40-R43 CarbonylContact O-C 3.52Å; L40-R43 WeakPolarHBondContact O-CB 3.37Å; L40-R43 PolarHBondContact O-N 3.33Å; L40-G44 PolarHBondContact O-N 3.32Å; L40-A45 HydrophobicContact CB-CB 4.43Å; L40-A45 WeakPolarHBondContact O-CB 3.11Å; L40-A45 PolarHBondContact O-N 3.47Å; L40-A45 VanDerWaalsContact O-N 3.13Å; L40-I47 HydrophobicContact CB-CD1 3.57Å; L40-I128 HydrophobicContact CD1-CG1 4.47Å; L40-L274 HydrophobicContact CD2-CD2 4.16Å; L40-L274 HydrophobicContact CG-CD2 4.22Å; L40-A277 HydrophobicContact CD2-CB 4.23Å
41	A	98.8	Very high	97.8	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-63.9	-45.8	175.5	0	0	0	0	0	111.8	A37 S38 R43 G44 I47 I92 Q96 L97	A37-A41 WeakPolarHBondContact O-CB 3.41Å; A37-A41 PolarHBondContact O-N 2.98Å; S38-A41 PolarHBondContact O-N 2.59Å; A41-R43 PolarHBondContact O-N 3.1Å; A41-R43 VanDerWaalsContact O-N 3.13Å; A41-G44 WeakPolarHBondContact O-CA 3.45Å; A41-G44 PolarHBondContact O-N 2.91Å; A41-I47 HydrophobicContact CB-CD1 4.45Å; A41-I47 HydrophobicContact CB-CG1 3.7Å; A41-I92 HydrophobicContact CB-CD1 3.82Å; A41-I92 HydrophobicContact CB-CG1 3.91Å; A41-I92 HydrophobicContact CB-CG2 4.02Å; A41-Q96 PolarHBondContact O-NE2 3.11Å; A41-L97 HydrophobicContact CB-CD2 3.98Å
42	R	98.3	Very high	98	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.008	6%	0.061	C	C	.	.	H	α-helix	trans	-60.6	-24	175.3	-70.8	174.2	71.5	-168.1	2.1	112.2	R17 S38 E39 G44 Y68 S75 T78 L89 K90 I92	R17-R42 PolarHBondContact NH1-O 3.34Å; S38-R42 WeakPolarHBondContact O-CB 3Å; S38-R42 WeakPolarHBondContact O-CG 3.38Å; S38-R42 PolarHBondContact O-N 2.72Å; E39-R42 PolarHBondContact O-N 2.81Å; R42-G44 VanDerWaalsContact C-N 3.31Å; R42-Y68 HydrophobicContact CG-CG 4.47Å; R42-S75 PolarHBondContact NH2-O 3.2Å; R42-T78 PolarHBondContact NH1-O 2.87Å; R42-T78 PolarHBondContact NH2-O 3.41Å; R42-L89 HydrophobicContact CB-CB 4.41Å; R42-L89 HydrophobicContact CB-CD2 3.97Å; R42-L89 WeakPolarHBondContact O-CA 3.3Å; R42-K90 WeakPolarHBondContact CB-O 3.26Å; R42-K90 WeakPolarHBondContact CG-O 3.46Å; R42-K90 PolarHBondContact O-N 3.26Å; R42-I92 HydrophobicContact CB-CG1 4.49Å; R42-I92 HydrophobicContact CG-CD1 3.86Å; R42-I92 HydrophobicContact CG-CG1 3.51Å
43	R	98.2	Very high	98.1	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	1.3	171.6	-69.6	168	-176.5	-82.7	3.6	113.8	I14 K16 R17 L18 E39 L40 A41 V85 S88 L89 L278	I14-R43 VanDerWaalsContact O-CZ 3.3Å; I14-R43 PolarHBondContact O-NH1 3.11Å; I14-R43 PolarHBondContact O-NH2 2.75Å; K16-R43 PolarHBondContact O-NH1 3.32Å; R17-R43 PolarHBondContact NE-O 3.39Å; R17-R43 VanDerWaalsContact NE-O 3.08Å; R17-R43 VanDerWaalsContact NH1-CA 3.29Å; R17-R43 PolarHBondContact NH1-O 3.07Å; R17-R43 PolarHBondContact NH2-O 3.28Å; L18-R43 WeakPolarHBondContact CA-O 3.4Å; L18-R43 HydrophobicContact CB-CB 4.12Å; L18-R43 HydrophobicContact CD1-CB 4.02Å; L18-R43 HydrophobicContact CG-CB 3.96Å; L18-R43 PolarHBondContact N-O 3.26Å; E39-R43 WeakPolarHBondContact O-CB 3.34Å; E39-R43 WeakPolarHBondContact O-CD 3.24Å; E39-R43 WeakPolarHBondContact O-CG 3.43Å; E39-R43 PolarHBondContact O-N 3.27Å; E39-R43 IonicContact OE1-CZ 3.56Å; E39-R43 IonicContact OE1-NE 3.93Å; E39-R43 PolarHBondContact OE1-NE 3.12Å; E39-R43 VanDerWaalsContact OE1-NE 3.15Å; E39-R43 IonicContact OE1-NH2 2.83Å; E39-R43 PolarHBondContact OE1-NH2 3.07Å; L40-R43 CarbonylContact O-C 3.52Å; L40-R43 WeakPolarHBondContact O-CB 3.37Å; L40-R43 PolarHBondContact O-N 3.33Å; A41-R43 PolarHBondContact O-N 3.1Å; A41-R43 VanDerWaalsContact O-N 3.13Å; R43-V85 VanDerWaalsContact NH2-CG1 3.3Å; R43-S88 WeakPolarHBondContact CA-O 3.21Å; R43-S88 PolarHBondContact NH1-OG 3.4Å; R43-S88 VanDerWaalsContact NH1-OG 3.1Å; R43-L89 HydrophobicContact CG-CD2 3.87Å; R43-L278 VanDerWaalsContact CZ-CD1 3.43Å
44	G	98.3	Very high	98.2	Very high	10 Å²	10	19.1 Å²	19.1	10%	0.103	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.2	2	174.7	0	0	0	0	0	115.3	L18 L40 A41 R42	L18-G44 CarbonylContact O-C 3.43Å; L40-G44 PolarHBondContact O-N 3.32Å; A41-G44 WeakPolarHBondContact O-CA 3.45Å; A41-G44 PolarHBondContact O-N 2.91Å; R42-G44 VanDerWaalsContact C-N 3.31Å
45	A	98.8	Very high	98.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.119	C	C	.	.			trans	-72.5	147.8	177.3	0	0	0	0	0	111	L18 K21 L40 I47 Q96	L18-A45 HydrophobicContact CB-CB 3.91Å; L18-A45 HydrophobicContact CD1-CB 4.35Å; L18-A45 WeakPolarHBondContact O-CA 3.46Å; L18-A45 PolarHBondContact O-N 3.13Å; K21-A45 HydrophobicContact CB-CB 4.46Å; K21-A45 CarbonylContact O-C 3.56Å; K21-A45 VanDerWaalsContact O-CA 3.27Å; K21-A45 WeakPolarHBondContact O-CA 3.46Å; L40-A45 HydrophobicContact CB-CB 4.43Å; L40-A45 WeakPolarHBondContact O-CB 3.11Å; L40-A45 PolarHBondContact O-N 3.47Å; L40-A45 VanDerWaalsContact O-N 3.13Å; A45-I47 HydrophobicContact CB-CD1 3.86Å; A45-Q96 PolarHBondContact O-NE2 3.06Å
46	T	98.9	Very high	98.2	Very high	40 Å²	40	28.1 Å²	28.1	25%	0.245	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	128.4	160.4	-57.2	0	0	0	0	108.5	K21 I22 A23 L98	K21-T46 PolarHBondContact O-N 3.39Å; I22-T46 WeakPolarHBondContact CA-O 3.28Å; A23-T46 PolarHBondContact N-O 2.86Å; T46-L98 HydrophobicContact CG2-CD1 3.52Å; T46-L98 HydrophobicContact CG2-CG 4.1Å
47	I	98.9	Very high	98.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	117	-178.2	-49.4	-55	0	0	0	110.1	A23 V25 A37 L40 A41 A45 M49 Q96 L97 L98	A23-I47 HydrophobicContact CB-CD1 3.88Å; A23-I47 CarbonylContact O-C 3.56Å; A23-I47 WeakPolarHBondContact O-CA 3.49Å; V25-I47 HydrophobicContact CG2-CG2 4.13Å; A37-I47 HydrophobicContact CB-CG2 3.95Å; L40-I47 HydrophobicContact CB-CD1 3.57Å; A41-I47 HydrophobicContact CB-CD1 4.45Å; A41-I47 HydrophobicContact CB-CG1 3.7Å; A45-I47 HydrophobicContact CB-CD1 3.86Å; I47-M49 HydrophobicContact CG2-CG 3.97Å; I47-M49 PolarHBondContact O-N 3.1Å; I47-Q96 PolarHBondContact N-O 3.01Å; I47-L97 HydrophobicContact CB-CD2 4.11Å; I47-L97 HydrophobicContact CG1-CD2 4.23Å; I47-L98 PolarHBondContact O-N 3.4Å
48	I	98.9	Very high	98.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	101.6	165.2	-58.1	170.5	0	0	0	107.2	I22 A23 I24 V25 A50 L98 E100 F113 I117 Y121 I124	I22-I48 HydrophobicContact CG2-CD1 3.82Å; I22-I48 HydrophobicContact CG2-CG1 4.24Å; A23-I48 PolarHBondContact O-N 3.5Å; I24-I48 HydrophobicContact CD1-CD1 4.48Å; I24-I48 HydrophobicContact CG1-CB 3.89Å; I24-I48 HydrophobicContact CG1-CD1 3.89Å; I24-I48 HydrophobicContact CG1-CG1 4.43Å; I24-I48 HydrophobicContact CG1-CG2 4.2Å; V25-I48 PolarHBondContact N-O 3.38Å; I48-A50 PolarHBondContact O-N 2.84Å; I48-A50 VanDerWaalsContact O-N 3.11Å; I48-L98 CarbonylContact C-O 3.48Å; I48-L98 WeakPolarHBondContact CA-O 3.36Å; I48-E100 HydrophobicContact CG2-CB 4.06Å; I48-E100 HydrophobicContact CG2-CG 3.97Å; I48-F113 HydrophobicContact CG2-CE2 4.42Å; I48-F113 HydrophobicContact CG2-CZ 4.23Å; I48-I117 HydrophobicContact CD1-CD1 4.22Å; I48-I117 HydrophobicContact CD1-CG2 4.49Å; I48-I117 HydrophobicContact CG2-CD1 4.03Å; I48-Y121 HydrophobicContact CD1-CD2 3.87Å; I48-Y121 HydrophobicContact CD1-CE1 4.48Å; I48-Y121 HydrophobicContact CD1-CE2 3.52Å; I48-Y121 HydrophobicContact CD1-CG 4.49Å; I48-Y121 HydrophobicContact CG1-CE2 4.31Å; I48-I124 HydrophobicContact CD1-CD1 3.88Å
49	M	98.8	Very high	98.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	88.2	177.2	-60.7	-177.5	72	0	0	109.6	C28 I47 C51 A60 R61 L64 L97 L98 I99 E100	C28-M49 VanDerWaalsContact SG-CA 3.53Å; C28-M49 VanDerWaalsContact SG-CB 3.55Å; I47-M49 HydrophobicContact CG2-CG 3.97Å; I47-M49 PolarHBondContact O-N 3.1Å; M49-C51 PolarHBondContact O-N 3.48Å; M49-A60 HydrophobicContact CE-CB 4.16Å; M49-R61 HydrophobicContact SD-CB 4.22Å; M49-L64 HydrophobicContact CE-CD1 3.85Å; M49-L64 HydrophobicContact SD-CD1 4.19Å; M49-L97 HydrophobicContact SD-CB 4.16Å; M49-L97 HydrophobicContact SD-CD2 4.34Å; M49-L98 PolarHBondContact N-O 3.33Å; M49-I99 HydrophobicContact CB-CG1 4.43Å; M49-I99 HydrophobicContact SD-CG1 4.46Å; M49-E100 PolarHBondContact O-N 3.23Å; M49-E100 VanDerWaalsContact O-N 3.11Å
50	A	98.9	Very high	98.1	Very high	2 Å²	2	36.5 Å²	36.5	2%	0.017	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	103.6	-177.5	0	0	0	0	0	111	I24 V25 T26 G27 I48 E100 L102 F113	I24-A50 HydrophobicContact CG2-CB 3.97Å; V25-A50 PolarHBondContact O-N 2.73Å; T26-A50 CarbonylContact C-O 3.5Å; T26-A50 WeakPolarHBondContact CA-O 3.43Å; T26-A50 HydrophobicContact CG2-CB 4.39Å; G27-A50 PolarHBondContact N-O 3.16Å; I48-A50 PolarHBondContact O-N 2.84Å; I48-A50 VanDerWaalsContact O-N 3.11Å; A50-E100 WeakPolarHBondContact CA-O 3.37Å; A50-L102 HydrophobicContact CB-CB 4.13Å; A50-L102 HydrophobicContact CB-CD2 3.78Å; A50-F113 HydrophobicContact CB-CE2 3.64Å; A50-F113 HydrophobicContact CB-CZ 3.69Å
51	C	97.9	Very high	98.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	145.4	-169.4	-70.8	0	0	0	0	112.1	M49 A57 E100 Q101 L102	M49-C51 PolarHBondContact O-N 3.48Å; C51-A57 HydrophobicContact CB-CB 3.64Å; C51-E100 PolarHBondContact N-O 2.92Å; C51-Q101 CarbonylContact O-C 3.56Å; C51-Q101 WeakPolarHBondContact O-CA 3.33Å; C51-L102 CarbonylContact C-O 3.54Å; C51-L102 PolarHBondContact O-N 3.46Å
52	R	96	Very high	98.1	Very high	157 Å²	157	42.8 Å²	42.8	59%	0.592	20%	0.202	S	C	*	.	S	Bend	trans	-68.9	-49	178.4	-178	-178.9	-176.3	-162.5	1.2	112.6	L102 D103	R52-L102 WeakPolarHBondContact CA-O 3.35Å; R52-L102 PolarHBondContact N-O 3.33Å; R52-L102 VanDerWaalsContact N-O 3.15Å; R52-D103 WeakPolarHBondContact CD-OD1 3.45Å; R52-D103 WeakPolarHBondContact CD-OD2 3.35Å; R52-D103 HydrophobicContact CG-CB 4.05Å; R52-D103 IonicContact CZ-OD2 2.72Å; R52-D103 VanDerWaalsContact NE-CG 3.32Å; R52-D103 IonicContact NE-OD1 3.67Å; R52-D103 PolarHBondContact NE-OD1 2.83Å; R52-D103 IonicContact NE-OD2 3.44Å; R52-D103 PolarHBondContact NE-OD2 3.38Å; R52-D103 IonicContact NH2-OD2 3.38Å; R52-D103 PolarHBondContact NH2-OD2 3.25Å
53	N	95.2	Very high	98.1	Very high	71 Å²	71	48.4 Å²	48.4	38%	0.38	22%	0.223	S	C	.	.			trans	-100.5	114.8	-178.3	179.7	-55.6	0	0	0	109.3	E55 R56 A57	N53-E55 WeakPolarHBondContact OD1-CB 3.34Å; N53-E55 PolarHBondContact OD1-N 3.13Å; N53-R56 HydrophobicContact CB-CB 4.33Å; N53-R56 HydrophobicContact CB-CG 4.38Å; N53-R56 PolarHBondContact OD1-N 2.89Å; N53-A57 WeakPolarHBondContact O-CB 3.34Å; N53-A57 PolarHBondContact O-N 3.49Å; N53-A57 VanDerWaalsContact O-N 3.08Å
54	M	97.8	Very high	98.1	Very high	65 Å²	65	48.4 Å²	48.4	32%	0.32	22%	0.223	S	C	.	.	H	α-helix	trans	-70.9	-33	-175.9	-67.4	-62.1	-72.6	0	0	113	A57 N58 I99 Q101	M54-A57 PolarHBondContact O-N 3.11Å; M54-N58 PolarHBondContact O-N 3.19Å; M54-N58 PolarHBondContact O-ND2 3.03Å; M54-I99 HydrophobicContact CE-CB 4.24Å; M54-I99 HydrophobicContact CE-CG2 3.4Å; M54-I99 HydrophobicContact SD-CG2 3.71Å; M54-Q101 HydrophobicContact CG-CB 4.06Å; M54-Q101 HydrophobicContact CG-CG 4.05Å; M54-Q101 HydrophobicContact SD-CB 3.59Å; M54-Q101 VanDerWaalsContact SD-CB 3.59Å; M54-Q101 HydrophobicContact SD-CG 4.11Å
55	E	98.3	Very high	98.1	Very high	136 Å²	136	49.9 Å²	49.9	64%	0.636	23%	0.229	S	C	*	.	H	α-helix	trans	-62.8	-52.8	175.9	-177.3	-180	-160.5	0	0	110.5	N53 A57 N58 E59	N53-E55 WeakPolarHBondContact OD1-CB 3.34Å; N53-E55 PolarHBondContact OD1-N 3.13Å; E55-A57 PolarHBondContact O-N 3.41Å; E55-N58 WeakPolarHBondContact O-CB 3.28Å; E55-N58 PolarHBondContact O-N 2.88Å; E55-E59 WeakPolarHBondContact O-CG 3.49Å; E55-E59 PolarHBondContact O-N 3.12Å
56	R	96.9	Very high	98	Very high	100 Å²	100	55.8 Å²	55.8	38%	0.377	26%	0.257	S	S	.	.	H	α-helix	trans	-60.8	-31.6	175.2	-66.3	-175.4	73.9	-179.2	4.1	112.5	N29 N53 A60 E242	N29-R56 HydrophobicContact CB-CB 4.42Å; N53-R56 HydrophobicContact CB-CB 4.33Å; N53-R56 HydrophobicContact CB-CG 4.38Å; N53-R56 PolarHBondContact OD1-N 2.89Å; R56-A60 WeakPolarHBondContact O-CB 3.33Å; R56-A60 PolarHBondContact O-N 2.89Å; R56-E242 IonicContact NH2-OE2 3.68Å
57	A	98	Very high	97.9	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-69.7	-40.5	175.2	0	0	0	0	0	111.9	C51 N53 M54 E55 A60 R61 I99	C51-A57 HydrophobicContact CB-CB 3.64Å; N53-A57 WeakPolarHBondContact O-CB 3.34Å; N53-A57 PolarHBondContact O-N 3.49Å; N53-A57 VanDerWaalsContact O-N 3.08Å; M54-A57 PolarHBondContact O-N 3.11Å; E55-A57 PolarHBondContact O-N 3.41Å; A57-A60 PolarHBondContact O-N 3.2Å; A57-R61 PolarHBondContact O-N 2.87Å; A57-I99 HydrophobicContact CB-CD1 4.37Å; A57-I99 HydrophobicContact CB-CG2 3.59Å
58	N	98.6	Very high	97.9	Very high	77 Å²	77	56 Å²	56	41%	0.412	26%	0.255	S	S	.	.	H	α-helix	trans	-64.8	-45.1	174	-79.4	-66.4	0	0	0	111.4	M54 E55 A60 R61 T62 I99	M54-N58 PolarHBondContact O-N 3.19Å; M54-N58 PolarHBondContact O-ND2 3.03Å; E55-N58 WeakPolarHBondContact O-CB 3.28Å; E55-N58 PolarHBondContact O-N 2.88Å; N58-A60 VanDerWaalsContact C-N 3.3Å; N58-A60 PolarHBondContact O-N 3.2Å; N58-R61 WeakPolarHBondContact O-CB 3.46Å; N58-R61 PolarHBondContact O-N 3.3Å; N58-R61 VanDerWaalsContact O-N 3.17Å; N58-T62 PolarHBondContact O-N 2.62Å; N58-T62 PolarHBondContact O-OG1 2.94Å; N58-I99 HydrophobicContact CB-CD1 4.26Å; N58-I99 WeakPolarHBondContact OD1-CD1 3.41Å
59	E	98.5	Very high	97.8	Very high	104 Å²	104	56.2 Å²	56.2	49%	0.486	26%	0.258	S	S	.	.	H	α-helix	trans	-56.7	-44.3	173.3	-69.3	174.4	170.6	0	0	111.7	E55 T62 R63	E55-E59 WeakPolarHBondContact O-CG 3.49Å; E55-E59 PolarHBondContact O-N 3.12Å; E59-T62 PolarHBondContact O-N 2.86Å; E59-R63 VanDerWaalsContact O-CG 3.31Å; E59-R63 WeakPolarHBondContact O-CG 3.43Å; E59-R63 PolarHBondContact O-N 3.34Å
60	A	98	Very high	97.5	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.008	29%	0.288	C	S	.	.	H	α-helix	trans	-64.2	-41.6	177	0	0	0	0	0	112.1	N29 F34 M49 R56 A57 N58 R63 L64	N29-A60 VanDerWaalsContact CA-CB 3.49Å; N29-A60 HydrophobicContact CB-CB 3.96Å; F34-A60 HydrophobicContact CD2-CB 4.18Å; F34-A60 HydrophobicContact CE2-CB 4.29Å; M49-A60 HydrophobicContact CE-CB 4.16Å; R56-A60 WeakPolarHBondContact O-CB 3.33Å; R56-A60 PolarHBondContact O-N 2.89Å; A57-A60 PolarHBondContact O-N 3.2Å; N58-A60 VanDerWaalsContact C-N 3.3Å; N58-A60 PolarHBondContact O-N 3.2Å; A60-R63 PolarHBondContact O-N 2.85Å; A60-L64 WeakPolarHBondContact O-CG 3.26Å; A60-L64 PolarHBondContact O-N 2.86Å
61	R	98.7	Very high	97.2	Very high	65 Å²	65	70.7 Å²	70.7	25%	0.245	33%	0.33	C	S	.	.	H	α-helix	trans	-60.2	-46.6	174.5	178	176.6	175.8	-84.3	-0.5	111.3	M49 A57 N58 R63 L64 L65 S94 L97 I99	M49-R61 HydrophobicContact SD-CB 4.22Å; A57-R61 PolarHBondContact O-N 2.87Å; N58-R61 WeakPolarHBondContact O-CB 3.46Å; N58-R61 PolarHBondContact O-N 3.3Å; N58-R61 VanDerWaalsContact O-N 3.17Å; R61-R63 PolarHBondContact O-N 3.47Å; R61-L64 PolarHBondContact O-N 3.48Å; R61-L65 HydrophobicContact CG-CD1 4.33Å; R61-L65 WeakPolarHBondContact O-CG 3.21Å; R61-L65 PolarHBondContact O-N 2.86Å; R61-L65 VanDerWaalsContact O-N 3.13Å; R61-S94 PolarHBondContact NH2-O 2.74Å; R61-L97 HydrophobicContact CG-CB 3.95Å; R61-L97 HydrophobicContact CG-CD1 3.97Å; R61-L97 PolarHBondContact NE-O 2.79Å; R61-L97 VanDerWaalsContact NE-O 3.08Å; R61-I99 HydrophobicContact CB-CD1 3.92Å; R61-I99 HydrophobicContact CB-CG1 4.49Å; R61-I99 HydrophobicContact CG-CD1 4.45Å
62	T	98.5	Very high	97	Very high	67 Å²	67	73 Å²	73	41%	0.411	34%	0.343	S	S	.	.	H	α-helix	trans	-57.7	-48.5	175.4	-59.9	0	0	0	0	110.9	N58 E59 L64 L65 E66	N58-T62 PolarHBondContact O-N 2.62Å; N58-T62 PolarHBondContact O-OG1 2.94Å; E59-T62 PolarHBondContact O-N 2.86Å; T62-L64 VanDerWaalsContact C-N 3.32Å; T62-L64 PolarHBondContact O-N 2.97Å; T62-L65 PolarHBondContact O-N 2.95Å; T62-L65 VanDerWaalsContact O-N 3.11Å; T62-E66 HydrophobicContact CG2-CG 4.39Å; T62-E66 WeakPolarHBondContact O-CG 3.26Å; T62-E66 PolarHBondContact O-N 3.19Å
63	R	98.2	Very high	96.8	Very high	120 Å²	120	70.4 Å²	70.4	45%	0.453	36%	0.355	S	S	.	.	H	α-helix	trans	-61	-36.9	177.7	-72.4	175.4	63.4	-165.2	-2.1	113.3	F34 E59 A60 R61 L65 E66 M67	F34-R63 HydrophobicContact CE2-CB 4.2Å; F34-R63 HydrophobicContact CZ-CB 4.2Å; E59-R63 VanDerWaalsContact O-CG 3.31Å; E59-R63 WeakPolarHBondContact O-CG 3.43Å; E59-R63 PolarHBondContact O-N 3.34Å; A60-R63 PolarHBondContact O-N 2.85Å; R61-R63 PolarHBondContact O-N 3.47Å; R63-L65 VanDerWaalsContact C-N 3.35Å; R63-E66 PolarHBondContact O-N 3Å; R63-M67 VanDerWaalsContact O-CB 3.31Å; R63-M67 WeakPolarHBondContact O-CB 3.22Å; R63-M67 WeakPolarHBondContact O-CG 3.48Å; R63-M67 PolarHBondContact O-N 2.89Å
64	L	98.4	Very high	96.5	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-62.8	-42.5	174.8	-74.8	174.4	0	0	0	111.6	F34 M49 A60 R61 T62 M67 Y68 I92 L97	F34-L64 HydrophobicContact CD1-CD2 4.27Å; F34-L64 HydrophobicContact CD2-CD2 4.1Å; F34-L64 HydrophobicContact CD2-CG 4.17Å; F34-L64 HydrophobicContact CE1-CD2 3.78Å; F34-L64 HydrophobicContact CE2-CD1 4.42Å; F34-L64 HydrophobicContact CE2-CD2 3.6Å; F34-L64 HydrophobicContact CE2-CG 3.55Å; F34-L64 HydrophobicContact CG-CD2 4.42Å; F34-L64 HydrophobicContact CZ-CD2 3.42Å; F34-L64 VanDerWaalsContact CZ-CD2 3.42Å; F34-L64 HydrophobicContact CZ-CG 3.8Å; M49-L64 HydrophobicContact CE-CD1 3.85Å; M49-L64 HydrophobicContact SD-CD1 4.19Å; A60-L64 WeakPolarHBondContact O-CG 3.26Å; A60-L64 PolarHBondContact O-N 2.86Å; R61-L64 PolarHBondContact O-N 3.48Å; T62-L64 VanDerWaalsContact C-N 3.32Å; T62-L64 PolarHBondContact O-N 2.97Å; L64-M67 PolarHBondContact O-N 3.22Å; L64-Y68 HydrophobicContact CD2-CD2 4.01Å; L64-Y68 HydrophobicContact CD2-CE2 3.96Å; L64-Y68 WeakPolarHBondContact O-CB 3.42Å; L64-Y68 PolarHBondContact O-N 3.11Å; L64-I92 HydrophobicContact CB-CD1 4.44Å; L64-L97 HydrophobicContact CB-CD1 3.75Å; L64-L97 HydrophobicContact CD1-CD1 3.87Å; L64-L97 HydrophobicContact CD1-CD2 4.17Å; L64-L97 HydrophobicContact CG-CD1 4.46Å
65	L	98.1	Very high	96.1	Very high	42 Å²	42	70.9 Å²	70.9	22%	0.22	35%	0.353	C	S	.	.	H	α-helix	trans	-71.2	-35.7	178.5	-64.3	171.1	0	0	0	112.1	R61 T62 R63 G69 I92 L97	R61-L65 HydrophobicContact CG-CD1 4.33Å; R61-L65 WeakPolarHBondContact O-CG 3.21Å; R61-L65 PolarHBondContact O-N 2.86Å; R61-L65 VanDerWaalsContact O-N 3.13Å; T62-L65 PolarHBondContact O-N 2.95Å; T62-L65 VanDerWaalsContact O-N 3.11Å; R63-L65 VanDerWaalsContact C-N 3.35Å; L65-G69 WeakPolarHBondContact O-CA 3.13Å; L65-G69 PolarHBondContact O-N 3.26Å; L65-I92 HydrophobicContact CD2-CG2 4.1Å; L65-L97 HydrophobicContact CD2-CD1 4.12Å; L65-L97 HydrophobicContact CG-CD1 4.14Å
66	E	97.2	Very high	95.6	Very high	124 Å²	124	68.7 Å²	68.7	58%	0.579	34%	0.342	S	S	*	.	H	α-helix	trans	-66.6	-41	172.9	-71.3	171.4	172.3	0	0	112.2	T62 R63 N72	T62-E66 HydrophobicContact CG2-CG 4.39Å; T62-E66 WeakPolarHBondContact O-CG 3.26Å; T62-E66 PolarHBondContact O-N 3.19Å; R63-E66 PolarHBondContact O-N 3Å; E66-N72 WeakPolarHBondContact O-CB 3.26Å; E66-N72 PolarHBondContact O-ND2 2.73Å
67	M	97.2	Very high	95.2	Very high	44 Å²	44	70 Å²	70	22%	0.217	35%	0.353	C	S	.	.	H	α-helix	trans	-78.7	-37.6	-177.4	-71.5	179.4	67.8	0	0	112.9	F34 R63 L64 N72	F34-M67 HydrophobicContact CE1-SD 4.11Å; F34-M67 HydrophobicContact CZ-SD 4.06Å; R63-M67 VanDerWaalsContact O-CB 3.31Å; R63-M67 WeakPolarHBondContact O-CB 3.22Å; R63-M67 WeakPolarHBondContact O-CG 3.48Å; R63-M67 PolarHBondContact O-N 2.89Å; L64-M67 PolarHBondContact O-N 3.22Å; M67-N72 PolarHBondContact O-ND2 2.8Å
68	Y	97.8	Very high	95	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-132	3.7	-168	-47.3	-68.6	0	0	0	114.5	Y35 S38 R42 L64 T78 D79 H91 I92	Y35-Y68 WeakPolarHBondContact CE1-OH 3.46Å; S38-Y68 VanDerWaalsContact CB-CE2 3.48Å; R42-Y68 HydrophobicContact CG-CG 4.47Å; L64-Y68 HydrophobicContact CD2-CD2 4.01Å; L64-Y68 HydrophobicContact CD2-CE2 3.96Å; L64-Y68 WeakPolarHBondContact O-CB 3.42Å; L64-Y68 PolarHBondContact O-N 3.11Å; Y68-T78 HydrophobicContact CE1-CG2 4.05Å; Y68-D79 HydrophobicContact CE1-CB 4.18Å; Y68-D79 PolarHBondContact OH-OD2 3.31Å; Y68-H91 CarbonylContact O-C 3.6Å; Y68-H91 WeakPolarHBondContact O-CA 3.44Å; Y68-I92 HydrophobicContact CD2-CD1 4.01Å; Y68-I92 HydrophobicContact CG-CD1 4.26Å; Y68-I92 PolarHBondContact O-N 3.36Å
69	G	96.7	Very high	94.8	Very high	5 Å²	5	70.4 Å²	70.4	5%	0.052	36%	0.356	C	S	.	.	S	Bend	trans	-77.7	172	173.5	0	0	0	0	0	112.7	L65 N71 N72	L65-G69 WeakPolarHBondContact O-CA 3.13Å; L65-G69 PolarHBondContact O-N 3.26Å; G69-N71 VanDerWaalsContact C-N 3.26Å; G69-N71 PolarHBondContact O-N 3.5Å; G69-N72 PolarHBondContact O-N 2.81Å; G69-N72 VanDerWaalsContact O-N 3.13Å
70	E	93.4	Very high	94.7	Very high	135 Å²	135	66.8 Å²	66.8	63%	0.631	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-32.5	-173.4	-166	-179.6	-170.4	0	0	113.1	N72 H91	E70-N72 PolarHBondContact O-N 3.16Å; E70-N72 VanDerWaalsContact O-N 3.13Å; E70-H91 HydrophobicContact CB-CB 4.25Å
71	N	92.8	Very high	94.5	Very high	171 Å²	171	67.5 Å²	67.5	91%	0.914	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-11.8	179.5	-67.3	-33.1	0	0	0	114	G69	G69-N71 VanDerWaalsContact C-N 3.26Å; G69-N71 PolarHBondContact O-N 3.5Å
72	N	93.7	Very high	94.3	Very high	49 Å²	49	65.9 Å²	65.9	26%	0.262	35%	0.346	S	S	.	.			trans	-102.1	105.6	176.5	-173.3	-19.2	0	0	0	110.6	E66 M67 G69 E70 K74 S75	E66-N72 WeakPolarHBondContact O-CB 3.26Å; E66-N72 PolarHBondContact O-ND2 2.73Å; M67-N72 PolarHBondContact O-ND2 2.8Å; G69-N72 PolarHBondContact O-N 2.81Å; G69-N72 VanDerWaalsContact O-N 3.13Å; E70-N72 PolarHBondContact O-N 3.16Å; E70-N72 VanDerWaalsContact O-N 3.13Å; N72-K74 PolarHBondContact O-N 3.02Å; N72-K74 PolarHBondContact OD1-N 2.75Å; N72-S75 WeakPolarHBondContact O-CB 3.15Å; N72-S75 PolarHBondContact O-N 3.02Å; N72-S75 PolarHBondContact O-OG 3.41Å
73	A	89.9	Confident	94	Very high	102 Å²	102	67.6 Å²	67.6	84%	0.843	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.1	179.6	0	0	0	0	0	114.5
74	K	90.5	Very high	93.8	Very high	139 Å²	139	65 Å²	65	60%	0.604	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	5	177.5	-61.9	-176.2	-179.8	179.4	0	113.2	N72 E76 E77 T78	N72-K74 PolarHBondContact O-N 3.02Å; N72-K74 PolarHBondContact OD1-N 2.75Å; K74-E76 VanDerWaalsContact C-N 3.27Å; K74-E76 PolarHBondContact O-N 2.89Å; K74-E77 PolarHBondContact O-N 2.74Å; K74-T78 WeakPolarHBondContact O-CB 3.43Å; K74-T78 PolarHBondContact O-N 3.02Å; K74-T78 PolarHBondContact O-OG1 2.91Å
75	S	89.1	Confident	93.7	Very high	8 Å²	8	65 Å²	65	6%	0.056	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-43.4	-177.4	55.3	0	0	0	0	112.2	R42 N72 E77	R42-S75 PolarHBondContact NH2-O 3.2Å; N72-S75 WeakPolarHBondContact O-CB 3.15Å; N72-S75 PolarHBondContact O-N 3.02Å; N72-S75 PolarHBondContact O-OG 3.41Å; S75-E77 VanDerWaalsContact C-N 3.31Å; S75-E77 PolarHBondContact O-N 3.14Å
76	E	87.1	Confident	93.5	Very high	90 Å²	90	67.3 Å²	67.3	42%	0.421	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-11.8	-180	-63.3	-169.1	-177.5	0	0	114.4	K74 V80	K74-E76 VanDerWaalsContact C-N 3.27Å; K74-E76 PolarHBondContact O-N 2.89Å; E76-V80 VanDerWaalsContact O-CG2 3.25Å; E76-V80 WeakPolarHBondContact O-CG2 3.37Å
77	E	89.1	Confident	93.3	Very high	127 Å²	127	65.5 Å²	65.5	59%	0.593	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-20.3	179	-57.4	-167.9	154.9	0	0	113	K74 S75	K74-E77 PolarHBondContact O-N 2.74Å; S75-E77 VanDerWaalsContact C-N 3.31Å; S75-E77 PolarHBondContact O-N 3.14Å
78	T	92.8	Very high	93.2	Very high	45 Å²	45	63.4 Å²	63.4	28%	0.276	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	137.9	-178.2	-56.4	0	0	0	0	110.6	R42 Y68 K74 V80	R42-T78 PolarHBondContact NH1-O 2.87Å; R42-T78 PolarHBondContact NH2-O 3.41Å; Y68-T78 HydrophobicContact CE1-CG2 4.05Å; K74-T78 WeakPolarHBondContact O-CB 3.43Å; K74-T78 PolarHBondContact O-N 3.02Å; K74-T78 PolarHBondContact O-OG1 2.91Å; T78-V80 VanDerWaalsContact C-N 3.32Å; T78-V80 WeakPolarHBondContact O-CG2 3.13Å; T78-V80 PolarHBondContact O-N 3.06Å
79	D	94.9	Very high	93.1	Very high	40 Å²	40	63.6 Å²	63.6	21%	0.214	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	42.9	174.2	-68.9	-44.5	0	0	0	114.1	Y35 Y68 W267	Y35-D79 WeakPolarHBondContact CE1-OD2 3.27Å; Y68-D79 HydrophobicContact CE1-CB 4.18Å; Y68-D79 PolarHBondContact OH-OD2 3.31Å; D79-W267 HydrophobicContact CB-CD2 4.37Å; D79-W267 HydrophobicContact CB-CG 4.14Å; D79-W267 WeakPolarHBondContact O-CZ2 3.38Å; D79-W267 PolarHBondContact O-NE1 3.15Å
80	V	95.8	Very high	93.1	Very high	28 Å²	28	68.6 Å²	68.6	17%	0.17	37%	0.371	C	S	.	.			trans	-106.2	126.1	179.7	-177	0	0	0	0	110.8	E76 T78 C82 K86 L89	E76-V80 VanDerWaalsContact O-CG2 3.25Å; E76-V80 WeakPolarHBondContact O-CG2 3.37Å; T78-V80 VanDerWaalsContact C-N 3.32Å; T78-V80 WeakPolarHBondContact O-CG2 3.13Å; T78-V80 PolarHBondContact O-N 3.06Å; V80-C82 VanDerWaalsContact CG1-O 3.24Å; V80-C82 WeakPolarHBondContact CG1-O 3.44Å; V80-K86 HydrophobicContact CG1-CG 3.7Å; V80-L89 HydrophobicContact CG1-CD1 4.34Å; V80-L89 HydrophobicContact CG2-CD1 3.92Å
81	A	94.5	Very high	93.2	Very high	16 Å²	16	64.9 Å²	64.9	13%	0.132	35%	0.354	C	S	.	.	S	Bend	trans	-67.2	-39.5	-178.4	0	0	0	0	0	113.8	L11 C12 I13 V85 W267	L11-A81 HydrophobicContact CB-CB 3.86Å; L11-A81 HydrophobicContact CD1-CB 4.12Å; C12-A81 WeakPolarHBondContact O-CB 3.45Å; I13-A81 HydrophobicContact CG2-CB 4.1Å; A81-V85 HydrophobicContact CB-CG2 4.4Å; A81-W267 HydrophobicContact CB-CH2 4.41Å; A81-W267 HydrophobicContact CB-CZ2 4.36Å
82	C	94.3	Very high	93.5	Very high	31 Å²	31	56.9 Å²	56.9	21%	0.209	31%	0.311	C	S	.	.			trans	-166.4	173	172.1	69.3	0	0	0	0	111.5	I13 V80 R84 V85	I13-C82 HydrophobicContact CG2-CB 4.5Å; I13-C82 WeakPolarHBondContact CG2-SG 3.16Å; V80-C82 VanDerWaalsContact CG1-O 3.24Å; V80-C82 WeakPolarHBondContact CG1-O 3.44Å; C82-R84 PolarHBondContact O-N 2.89Å; C82-R84 VanDerWaalsContact O-N 3.12Å; C82-V85 PolarHBondContact O-N 2.92Å; C82-V85 VanDerWaalsContact O-N 3.07Å
83	S	93.3	Very high	93.6	Very high	103 Å²	103	58 Å²	58	72%	0.72	31%	0.314	S	S	*	.	H	α-helix	trans	-51.9	-35.2	178.5	54.3	0	0	0	0	113.9	V85 K86	S83-V85 VanDerWaalsContact C-N 3.3Å; S83-V85 PolarHBondContact O-N 3.16Å; S83-K86 WeakPolarHBondContact O-CB 3.06Å; S83-K86 PolarHBondContact O-N 2.86Å
84	R	93.5	Very high	94	Very high	65 Å²	65	55.9 Å²	55.9	25%	0.245	29%	0.294	C	S	.	.	H	α-helix	trans	-60.3	-37.9	179.5	-177.6	174.6	170	-156	-12.1	113.2	M1 K2 N15 C82 K86 S87	M1-R84 VanDerWaalsContact CG-NH1 3.29Å; M1-R84 PolarHBondContact SD-NH1 2.62Å; M1-R84 VanDerWaalsContact SD-NH1 3.4Å; M1-R84 PolarHBondContact SD-NH2 3.26Å; K2-R84 PolarHBondContact O-NH1 3.09Å; N15-R84 HydrophobicContact CB-CG 4.24Å; N15-R84 WeakPolarHBondContact CB-O 2.98Å; N15-R84 PolarHBondContact OD1-NE 2.87Å; N15-R84 PolarHBondContact OD1-NH2 3.04Å; C82-R84 PolarHBondContact O-N 2.89Å; C82-R84 VanDerWaalsContact O-N 3.12Å; R84-K86 VanDerWaalsContact C-N 3.34Å; R84-S87 PolarHBondContact O-OG 3Å
85	V	95.4	Very high	94.3	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-76.3	-24.7	-176.3	-172	0	0	0	0	111.6	I13 R43 A81 C82 S83 S87 S88 L89	I13-V85 VanDerWaalsContact CA-CG2 3.48Å; I13-V85 HydrophobicContact CB-CG2 3.96Å; I13-V85 HydrophobicContact CG2-CG2 4.19Å; R43-V85 VanDerWaalsContact NH2-CG1 3.3Å; A81-V85 HydrophobicContact CB-CG2 4.4Å; C82-V85 PolarHBondContact O-N 2.92Å; C82-V85 VanDerWaalsContact O-N 3.07Å; S83-V85 VanDerWaalsContact C-N 3.3Å; S83-V85 PolarHBondContact O-N 3.16Å; V85-S87 PolarHBondContact O-N 2.7Å; V85-S87 VanDerWaalsContact O-N 3.15Å; V85-S88 PolarHBondContact O-N 2.7Å; V85-S88 PolarHBondContact O-OG 3.46Å; V85-L89 HydrophobicContact CG1-CD1 3.86Å; V85-L89 HydrophobicContact CG1-CD2 4.3Å; V85-L89 HydrophobicContact CG1-CG 3.96Å; V85-L89 PolarHBondContact O-N 3.32Å
86	K	94.2	Very high	94.7	Very high	90 Å²	90	55.4 Å²	55.4	39%	0.391	30%	0.296	S	S	.	.	H	α-helix	trans	-49.4	-44.6	-179.3	-71	-167.6	170.3	-163.8	0	112.5	V80 S83 R84 S88 L89	V80-K86 HydrophobicContact CG1-CG 3.7Å; S83-K86 WeakPolarHBondContact O-CB 3.06Å; S83-K86 PolarHBondContact O-N 2.86Å; R84-K86 VanDerWaalsContact C-N 3.34Å; K86-S88 PolarHBondContact O-N 2.97Å; K86-L89 PolarHBondContact O-N 2.68Å
87	S	92.4	Very high	95.3	Very high	86 Å²	86	51.2 Å²	51.2	60%	0.601	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-20.2	177.7	61.4	0	0	0	0	115.5	R84 V85	R84-S87 PolarHBondContact O-OG 3Å; V85-S87 PolarHBondContact O-N 2.7Å; V85-S87 VanDerWaalsContact O-N 3.15Å
88	S	95.7	Very high	95.8	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.007	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-7.4	179.3	62.9	0	0	0	0	114.1	R17 R43 V85 K86	R17-S88 VanDerWaalsContact CD-O 3.29Å; R17-S88 WeakPolarHBondContact CD-O 3.27Å; R17-S88 PolarHBondContact NH1-O 3.19Å; R43-S88 WeakPolarHBondContact CA-O 3.21Å; R43-S88 PolarHBondContact NH1-OG 3.4Å; R43-S88 VanDerWaalsContact NH1-OG 3.1Å; V85-S88 PolarHBondContact O-N 2.7Å; V85-S88 PolarHBondContact O-OG 3.46Å; K86-S88 PolarHBondContact O-N 2.97Å
89	L	96.8	Very high	96	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.016	26%	0.257	C	S	.	.			trans	-107.2	116.5	-177.3	-57	178.7	0	0	0	109.3	E39 R42 R43 V80 V85 K86	E39-L89 HydrophobicContact CG-CD2 3.79Å; R42-L89 HydrophobicContact CB-CB 4.41Å; R42-L89 HydrophobicContact CB-CD2 3.97Å; R42-L89 WeakPolarHBondContact O-CA 3.3Å; R43-L89 HydrophobicContact CG-CD2 3.87Å; V80-L89 HydrophobicContact CG1-CD1 4.34Å; V80-L89 HydrophobicContact CG2-CD1 3.92Å; V85-L89 HydrophobicContact CG1-CD1 3.86Å; V85-L89 HydrophobicContact CG1-CD2 4.3Å; V85-L89 HydrophobicContact CG1-CG 3.96Å; V85-L89 PolarHBondContact O-N 3.32Å; K86-L89 PolarHBondContact O-N 2.68Å
90	K	95.7	Very high	96.2	Very high	111 Å²	111	46.2 Å²	46.2	48%	0.483	25%	0.251	S	S	.	.			trans	-112.8	174.1	173.1	-64.3	-173.1	175.9	-174.7	0	109.7	R42	R42-K90 WeakPolarHBondContact CB-O 3.26Å; R42-K90 WeakPolarHBondContact CG-O 3.46Å; R42-K90 PolarHBondContact O-N 3.26Å
91	H	96.7	Very high	96.3	Very high	57 Å²	57	49.9 Å²	49.9	26%	0.264	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-58.1	150.5	167.8	58.2	88.3	0	0	0	111.4	Y68 E70 E93	Y68-H91 CarbonylContact O-C 3.6Å; Y68-H91 WeakPolarHBondContact O-CA 3.44Å; E70-H91 HydrophobicContact CB-CB 4.25Å; H91-E93 IonicContact CE1-OE1 2.9Å; H91-E93 PolarHBondContact CE1-OE1 2.93Å; H91-E93 IonicContact CG-OE1 3.63Å; H91-E93 IonicContact ND1-OE1 2.62Å; H91-E93 PolarHBondContact ND1-OE1 2.89Å
92	I	97.7	Very high	96.6	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-87.9	126.3	174.3	-59.2	178.6	0	0	0	108.8	A41 R42 L64 L65 Y68 L97	A41-I92 HydrophobicContact CB-CD1 3.82Å; A41-I92 HydrophobicContact CB-CG1 3.91Å; A41-I92 HydrophobicContact CB-CG2 4.02Å; R42-I92 HydrophobicContact CB-CG1 4.49Å; R42-I92 HydrophobicContact CG-CD1 3.86Å; R42-I92 HydrophobicContact CG-CG1 3.51Å; L64-I92 HydrophobicContact CB-CD1 4.44Å; L65-I92 HydrophobicContact CD2-CG2 4.1Å; Y68-I92 HydrophobicContact CD2-CD1 4.01Å; Y68-I92 HydrophobicContact CG-CD1 4.26Å; Y68-I92 PolarHBondContact O-N 3.36Å; I92-L97 HydrophobicContact CG2-CD1 3.82Å; I92-L97 HydrophobicContact CG2-CD2 4.08Å; I92-L97 HydrophobicContact CG2-CG 3.77Å
93	E	96.9	Very high	96.8	Very high	72 Å²	72	49 Å²	49	34%	0.336	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-83.9	148.3	169.1	-68.6	-54	118.7	0	0	112.3	H91 D95 Q96	H91-E93 IonicContact CE1-OE1 2.9Å; H91-E93 PolarHBondContact CE1-OE1 2.93Å; H91-E93 IonicContact CG-OE1 3.63Å; H91-E93 IonicContact ND1-OE1 2.62Å; H91-E93 PolarHBondContact ND1-OE1 2.89Å; E93-D95 WeakPolarHBondContact CB-OD1 3.3Å; E93-D95 PolarHBondContact O-N 3.08Å; E93-Q96 HydrophobicContact CB-CG 4.11Å; E93-Q96 WeakPolarHBondContact O-CB 3.43Å; E93-Q96 PolarHBondContact O-N 3.36Å; E93-Q96 VanDerWaalsContact O-N 3.16Å
94	S	97	Very high	97	Very high	59 Å²	59	44.7 Å²	44.7	41%	0.413	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-67	-25.7	-173.9	79.2	0	0	0	0	113.8	R61 L97	R61-S94 PolarHBondContact NH2-O 2.74Å; S94-L97 PolarHBondContact O-N 2.86Å
95	D	97.5	Very high	97.2	Very high	114 Å²	114	41.9 Å²	41.9	61%	0.61	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-81.3	-16.3	178.1	66.5	-14.5	0	0	0	112.8	E93 L97 L98	E93-D95 WeakPolarHBondContact CB-OD1 3.3Å; E93-D95 PolarHBondContact O-N 3.08Å; D95-L97 VanDerWaalsContact C-N 3.26Å; D95-L97 PolarHBondContact O-N 3.17Å; D95-L98 WeakPolarHBondContact O-CD2 3.35Å
96	Q	98.3	Very high	97.4	Very high	22 Å²	22	42 Å²	42	10%	0.103	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-70.7	-23.1	170	-65.7	-177.6	-96.3	0	0	112	A41 A45 I47 E93	A41-Q96 PolarHBondContact O-NE2 3.11Å; A45-Q96 PolarHBondContact O-NE2 3.06Å; I47-Q96 PolarHBondContact N-O 3.01Å; E93-Q96 HydrophobicContact CB-CG 4.11Å; E93-Q96 WeakPolarHBondContact O-CB 3.43Å; E93-Q96 PolarHBondContact O-N 3.36Å; E93-Q96 VanDerWaalsContact O-N 3.16Å
97	L	98.7	Very high	97.6	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	96.4	-174	-59.2	-176.4	0	0	0	111.5	A41 I47 M49 R61 L64 L65 I92 S94 D95	A41-L97 HydrophobicContact CB-CD2 3.98Å; I47-L97 HydrophobicContact CB-CD2 4.11Å; I47-L97 HydrophobicContact CG1-CD2 4.23Å; M49-L97 HydrophobicContact SD-CB 4.16Å; M49-L97 HydrophobicContact SD-CD2 4.34Å; R61-L97 HydrophobicContact CG-CB 3.95Å; R61-L97 HydrophobicContact CG-CD1 3.97Å; R61-L97 PolarHBondContact NE-O 2.79Å; R61-L97 VanDerWaalsContact NE-O 3.08Å; L64-L97 HydrophobicContact CB-CD1 3.75Å; L64-L97 HydrophobicContact CD1-CD1 3.87Å; L64-L97 HydrophobicContact CD1-CD2 4.17Å; L64-L97 HydrophobicContact CG-CD1 4.46Å; L65-L97 HydrophobicContact CD2-CD1 4.12Å; L65-L97 HydrophobicContact CG-CD1 4.14Å; I92-L97 HydrophobicContact CG2-CD1 3.82Å; I92-L97 HydrophobicContact CG2-CD2 4.08Å; I92-L97 HydrophobicContact CG2-CG 3.77Å; S94-L97 PolarHBondContact O-N 2.86Å; D95-L97 VanDerWaalsContact C-N 3.26Å; D95-L97 PolarHBondContact O-N 3.17Å
98	L	98.6	Very high	97.9	Very high	55 Å²	55	40.9 Å²	40.9	29%	0.288	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	117.9	-175.3	-54.3	179.1	0	0	0	110.2	T46 I47 I48 M49 D95 Y121	T46-L98 HydrophobicContact CG2-CD1 3.52Å; T46-L98 HydrophobicContact CG2-CG 4.1Å; I47-L98 PolarHBondContact O-N 3.4Å; I48-L98 CarbonylContact C-O 3.48Å; I48-L98 WeakPolarHBondContact CA-O 3.36Å; M49-L98 PolarHBondContact N-O 3.33Å; D95-L98 WeakPolarHBondContact O-CD2 3.35Å; L98-Y121 HydrophobicContact CD1-CE1 4.47Å; L98-Y121 WeakPolarHBondContact CD1-OH 3.21Å
99	I	98.7	Very high	98.1	Very high	32 Å²	32	41.6 Å²	41.6	16%	0.164	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	131	-178	-55.9	172.5	0	0	0	110	M49 M54 A57 N58 R61	M49-I99 HydrophobicContact CB-CG1 4.43Å; M49-I99 HydrophobicContact SD-CG1 4.46Å; M54-I99 HydrophobicContact CE-CB 4.24Å; M54-I99 HydrophobicContact CE-CG2 3.4Å; M54-I99 HydrophobicContact SD-CG2 3.71Å; A57-I99 HydrophobicContact CB-CD1 4.37Å; A57-I99 HydrophobicContact CB-CG2 3.59Å; N58-I99 HydrophobicContact CB-CD1 4.26Å; N58-I99 WeakPolarHBondContact OD1-CD1 3.41Å; R61-I99 HydrophobicContact CB-CD1 3.92Å; R61-I99 HydrophobicContact CB-CG1 4.49Å; R61-I99 HydrophobicContact CG-CD1 4.45Å
100	E	98.7	Very high	98.2	Very high	19 Å²	19	41.5 Å²	41.5	9%	0.089	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	135.9	174.9	-78.3	-76.2	170.3	0	0	110.3	I48 M49 A50 C51 F113 R116 I117 K120	I48-E100 HydrophobicContact CG2-CB 4.06Å; I48-E100 HydrophobicContact CG2-CG 3.97Å; M49-E100 PolarHBondContact O-N 3.23Å; M49-E100 VanDerWaalsContact O-N 3.11Å; A50-E100 WeakPolarHBondContact CA-O 3.37Å; C51-E100 PolarHBondContact N-O 2.92Å; E100-F113 HydrophobicContact CB-CD2 4.03Å; E100-F113 HydrophobicContact CB-CE2 3.54Å; E100-F113 HydrophobicContact CG-CE2 4.41Å; E100-R116 IonicContact OE2-CZ 3.95Å; E100-R116 IonicContact OE2-NE 3.87Å; E100-R116 PolarHBondContact OE2-NE 2.94Å; E100-R116 IonicContact OE2-NH2 3.37Å; E100-R116 PolarHBondContact OE2-NH2 3.43Å; E100-I117 HydrophobicContact CG-CD1 3.94Å; E100-K120 IonicContact OE1-NZ 2.77Å; E100-K120 PolarHBondContact OE1-NZ 2.76Å
101	Q	98.7	Very high	98.3	Very high	106 Å²	106	40.4 Å²	40.4	50%	0.495	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	127.9	-179.5	-166.8	177.9	9.6	0	0	111.2	C51 M54 F113 R116	C51-Q101 CarbonylContact O-C 3.56Å; C51-Q101 WeakPolarHBondContact O-CA 3.33Å; M54-Q101 HydrophobicContact CG-CB 4.06Å; M54-Q101 HydrophobicContact CG-CG 4.05Å; M54-Q101 HydrophobicContact SD-CB 3.59Å; M54-Q101 VanDerWaalsContact SD-CB 3.59Å; M54-Q101 HydrophobicContact SD-CG 4.11Å; Q101-F113 WeakPolarHBondContact O-CD2 3.49Å; Q101-R116 PolarHBondContact O-NH2 2.91Å
102	L	98.8	Very high	98.4	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.026	21%	0.207	C	C	.	.			trans	-145.1	114.4	176.2	174.7	63.4	0	0	0	110.5	T26 A50 C51 R52 L104 I110 F113 L159	T26-L102 HydrophobicContact CG2-CD2 3.93Å; A50-L102 HydrophobicContact CB-CB 4.13Å; A50-L102 HydrophobicContact CB-CD2 3.78Å; C51-L102 CarbonylContact C-O 3.54Å; C51-L102 PolarHBondContact O-N 3.46Å; R52-L102 WeakPolarHBondContact CA-O 3.35Å; R52-L102 PolarHBondContact N-O 3.33Å; R52-L102 VanDerWaalsContact N-O 3.15Å; L102-L104 HydrophobicContact CD1-CD2 4.29Å; L102-L104 HydrophobicContact CD2-CD2 4Å; L102-L104 HydrophobicContact CD2-CG 4.38Å; L102-L104 HydrophobicContact CG-CD2 4.18Å; L102-L104 HydrophobicContact CG-CG 4.35Å; L102-I110 HydrophobicContact CD1-CB 4.44Å; L102-I110 HydrophobicContact CD1-CG1 3.95Å; L102-F113 HydrophobicContact CB-CD2 3.8Å; L102-F113 HydrophobicContact CB-CE2 4.17Å; L102-F113 HydrophobicContact CB-CG 4.2Å; L102-F113 HydrophobicContact CD1-CB 3.79Å; L102-F113 HydrophobicContact CD1-CD1 4.22Å; L102-F113 HydrophobicContact CD1-CD2 4.35Å; L102-F113 HydrophobicContact CD1-CG 3.87Å; L102-F113 HydrophobicContact CD2-CD1 4.46Å; L102-F113 HydrophobicContact CD2-CE1 4.49Å; L102-F113 HydrophobicContact CG-CD2 4.46Å; L102-F113 HydrophobicContact CG-CG 4.41Å; L102-L159 HydrophobicContact CD2-CD2 3.87Å
103	D	98.5	Very high	98.5	Very high	23 Å²	23	41.8 Å²	41.8	12%	0.123	21%	0.207	C	C	.	.			trans	-100.6	110.4	167.4	-162.8	-13.9	0	0	0	110.3	R52 A105 S106 S109	R52-D103 WeakPolarHBondContact CD-OD1 3.45Å; R52-D103 WeakPolarHBondContact CD-OD2 3.35Å; R52-D103 HydrophobicContact CG-CB 4.05Å; R52-D103 IonicContact CZ-OD2 2.72Å; R52-D103 VanDerWaalsContact NE-CG 3.32Å; R52-D103 IonicContact NE-OD1 3.67Å; R52-D103 PolarHBondContact NE-OD1 2.83Å; R52-D103 IonicContact NE-OD2 3.44Å; R52-D103 PolarHBondContact NE-OD2 3.38Å; R52-D103 IonicContact NH2-OD2 3.38Å; R52-D103 PolarHBondContact NH2-OD2 3.25Å; D103-A105 PolarHBondContact O-N 2.95Å; D103-A105 WeakPolarHBondContact OD1-CB 3.29Å; D103-A105 PolarHBondContact OD1-N 3.04Å; D103-S106 PolarHBondContact O-N 2.82Å; D103-S109 PolarHBondContact N-OG 2.9Å; D103-S109 WeakPolarHBondContact O-CB 3.35Å
104	L	98.6	Very high	98.6	Very high	12 Å²	12	38.3 Å²	38.3	6%	0.063	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-9.1	177.9	-68.6	173.4	0	0	0	113.3	L102 S106 I110 A131 V151 P156 L159	L102-L104 HydrophobicContact CD1-CD2 4.29Å; L102-L104 HydrophobicContact CD2-CD2 4Å; L102-L104 HydrophobicContact CD2-CG 4.38Å; L102-L104 HydrophobicContact CG-CD2 4.18Å; L102-L104 HydrophobicContact CG-CG 4.35Å; L104-S106 VanDerWaalsContact C-N 3.26Å; L104-I110 HydrophobicContact CD2-CD1 4.32Å; L104-I110 HydrophobicContact CD2-CG1 4.18Å; L104-A131 HydrophobicContact CD1-CB 3.55Å; L104-V151 HydrophobicContact CB-CG1 4.24Å; L104-P156 HydrophobicContact CD1-CG 4.09Å; L104-P156 HydrophobicContact CD2-CG 4.42Å; L104-L159 HydrophobicContact CD2-CD2 4.44Å
105	A	98.2	Very high	98.7	Very high	6 Å²	6	39.8 Å²	39.8	5%	0.05	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	11.5	173.2	0	0	0	0	0	113.2	D103 T141 E142 M147 V151	D103-A105 PolarHBondContact O-N 2.95Å; D103-A105 WeakPolarHBondContact OD1-CB 3.29Å; D103-A105 PolarHBondContact OD1-N 3.04Å; A105-T141 HydrophobicContact CB-CG2 4.15Å; A105-T141 VanDerWaalsContact O-CB 3.26Å; A105-T141 WeakPolarHBondContact O-CB 3.33Å; A105-E142 PolarHBondContact O-N 2.9Å; A105-E142 VanDerWaalsContact O-N 3.07Å; A105-M147 HydrophobicContact CB-CE 4.38Å; A105-M147 HydrophobicContact CB-SD 3.74Å; A105-V151 HydrophobicContact CB-CG2 3.79Å
106	S	98.8	Very high	98.7	Very high	5 Å²	5	37.8 Å²	37.8	4%	0.035	18%	0.178	C	C	.	.			trans	-142	114	179.3	176.5	0	0	0	0	110.6	D103 L104 K108 S109 I110 E142	D103-S106 PolarHBondContact O-N 2.82Å; L104-S106 VanDerWaalsContact C-N 3.26Å; S106-K108 PolarHBondContact O-N 2.9Å; S106-S109 PolarHBondContact O-N 3.46Å; S106-S109 VanDerWaalsContact O-N 3.14Å; S106-S109 PolarHBondContact OG-N 3.42Å; S106-I110 WeakPolarHBondContact O-CD1 3.31Å; S106-I110 WeakPolarHBondContact O-CG1 3.21Å; S106-I110 PolarHBondContact O-N 2.87Å; S106-E142 WeakPolarHBondContact CB-OE2 3.47Å; S106-E142 PolarHBondContact OG-OE2 2.82Å
107	L	98.8	Very high	98.7	Very high	18 Å²	18	36.8 Å²	36.8	9%	0.094	17%	0.173	C	C	.	.	H	α-helix	trans	-62.1	-31.9	176.5	-59.9	-168.5	0	0	0	111.4	I110 R111 D143 F145 L158 L317	L107-I110 HydrophobicContact CD2-CD1 4.14Å; L107-I110 PolarHBondContact O-N 2.86Å; L107-R111 WeakPolarHBondContact O-CG 3.3Å; L107-R111 PolarHBondContact O-N 2.9Å; L107-R111 VanDerWaalsContact O-N 3.07Å; L107-D143 WeakPolarHBondContact CB-OD1 3.28Å; L107-D143 HydrophobicContact CD1-CB 4.19Å; L107-D143 HydrophobicContact CG-CB 4Å; L107-D143 VanDerWaalsContact CG-CG 3.43Å; L107-D143 WeakPolarHBondContact CG-OD2 3.31Å; L107-D143 PolarHBondContact N-OD2 3.47Å; L107-F145 HydrophobicContact CD1-CE2 3.92Å; L107-F145 HydrophobicContact CD2-CE2 4.32Å; L107-F145 HydrophobicContact CG-CE2 4.25Å; L107-L158 HydrophobicContact CB-CD2 3.95Å; L107-L158 HydrophobicContact CD1-CD2 4.48Å; L107-L158 HydrophobicContact CD2-CD2 3.69Å; L107-L158 HydrophobicContact CG-CD2 4.22Å; L107-L317 HydrophobicContact CD1-CD2 3.86Å; L107-L317 HydrophobicContact CD2-CD2 3.71Å; L107-L317 HydrophobicContact CG-CD2 4.45Å
108	K	98.8	Very high	98.7	Very high	134 Å²	134	40.6 Å²	40.6	58%	0.583	19%	0.189	S	C	*	.	H	α-helix	trans	-60.6	-51.6	172.1	179.2	-178.5	170.1	-176	0	110.9	S106 I110 R111 E112	S106-K108 PolarHBondContact O-N 2.9Å; K108-I110 VanDerWaalsContact C-N 3.26Å; K108-I110 PolarHBondContact O-N 3.08Å; K108-R111 PolarHBondContact O-N 2.51Å; K108-R111 VanDerWaalsContact O-N 3.16Å; K108-E112 WeakPolarHBondContact CE-OE1 3.42Å; K108-E112 HydrophobicContact CG-CG 4.47Å; K108-E112 IonicContact NZ-OE1 3.4Å; K108-E112 WeakPolarHBondContact O-CG 3.4Å; K108-E112 PolarHBondContact O-N 3.47Å
109	S	98.9	Very high	98.7	Very high	16 Å²	16	42.4 Å²	42.4	11%	0.112	21%	0.207	C	C	.	.	H	α-helix	trans	-58.1	-39.8	178.5	-173.3	0	0	0	0	112.2	D103 S106 F113	D103-S109 PolarHBondContact N-OG 2.9Å; D103-S109 WeakPolarHBondContact O-CB 3.35Å; S106-S109 PolarHBondContact O-N 3.46Å; S106-S109 VanDerWaalsContact O-N 3.14Å; S106-S109 PolarHBondContact OG-N 3.42Å; S109-F113 WeakPolarHBondContact O-CB 3.44Å; S109-F113 PolarHBondContact O-N 2.93Å
110	I	98.9	Very high	98.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.7	-44	177.8	-66.4	157.9	0	0	0	111.7	L102 L104 S106 L107 K108 F113 A114 L158 L159 L162	L102-I110 HydrophobicContact CD1-CB 4.44Å; L102-I110 HydrophobicContact CD1-CG1 3.95Å; L104-I110 HydrophobicContact CD2-CD1 4.32Å; L104-I110 HydrophobicContact CD2-CG1 4.18Å; S106-I110 WeakPolarHBondContact O-CD1 3.31Å; S106-I110 WeakPolarHBondContact O-CG1 3.21Å; S106-I110 PolarHBondContact O-N 2.87Å; L107-I110 HydrophobicContact CD2-CD1 4.14Å; L107-I110 PolarHBondContact O-N 2.86Å; K108-I110 VanDerWaalsContact C-N 3.26Å; K108-I110 PolarHBondContact O-N 3.08Å; I110-F113 PolarHBondContact O-N 3.32Å; I110-A114 WeakPolarHBondContact O-CB 3.35Å; I110-A114 PolarHBondContact O-N 3.37Å; I110-L158 HydrophobicContact CB-CD2 4.19Å; I110-L158 HydrophobicContact CD1-CD2 4.45Å; I110-L158 HydrophobicContact CG2-CB 4.22Å; I110-L158 HydrophobicContact CG2-CD2 3.91Å; I110-L158 HydrophobicContact CG2-CG 3.84Å; I110-L159 HydrophobicContact CG2-CB 3.93Å; I110-L159 HydrophobicContact CG2-CD1 4.3Å; I110-L162 HydrophobicContact CG2-CD1 4.04Å
111	R	98.8	Very high	98.7	Very high	88 Å²	88	47.7 Å²	47.7	33%	0.332	23%	0.228	S	C	.	.	H	α-helix	trans	-64.7	-48.1	177.7	-70.5	174.6	-168.9	-75.7	1.2	111.5	L107 K108 F113 A114 D115 L158 L162	L107-R111 WeakPolarHBondContact O-CG 3.3Å; L107-R111 PolarHBondContact O-N 2.9Å; L107-R111 VanDerWaalsContact O-N 3.07Å; K108-R111 PolarHBondContact O-N 2.51Å; K108-R111 VanDerWaalsContact O-N 3.16Å; R111-F113 VanDerWaalsContact C-N 3.32Å; R111-F113 PolarHBondContact O-N 3.35Å; R111-A114 PolarHBondContact O-N 2.73Å; R111-A114 VanDerWaalsContact O-N 3.17Å; R111-D115 PolarHBondContact O-N 3.22Å; R111-L158 HydrophobicContact CG-CD2 4.42Å; R111-L162 HydrophobicContact CB-CD1 4.41Å; R111-L162 HydrophobicContact CG-CD1 3.81Å
112	E	98.9	Very high	98.6	Very high	88 Å²	88	48.4 Å²	48.4	41%	0.411	24%	0.235	S	C	.	.	H	α-helix	trans	-60.7	-41.2	177.5	-70.2	174.6	168	0	0	111.9	K108 D115 R116	K108-E112 WeakPolarHBondContact CE-OE1 3.42Å; K108-E112 HydrophobicContact CG-CG 4.47Å; K108-E112 IonicContact NZ-OE1 3.4Å; K108-E112 WeakPolarHBondContact O-CG 3.4Å; K108-E112 PolarHBondContact O-N 3.47Å; E112-D115 PolarHBondContact O-N 3.19Å; E112-R116 WeakPolarHBondContact O-CG 3.35Å; E112-R116 PolarHBondContact O-N 3Å; E112-R116 PolarHBondContact O-NH1 3.19Å
113	F	98.9	Very high	98.6	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.3	-52.1	172.7	173.3	-87.9	0	0	0	111.1	I24 I48 A50 E100 Q101 L102 S109 I110 R111 D115 R116 I117 L159 L163	I24-F113 HydrophobicContact CD1-CE1 4.34Å; I24-F113 HydrophobicContact CD1-CZ 4.42Å; I24-F113 HydrophobicContact CG2-CZ 4.12Å; I48-F113 HydrophobicContact CG2-CE2 4.42Å; I48-F113 HydrophobicContact CG2-CZ 4.23Å; A50-F113 HydrophobicContact CB-CE2 3.64Å; A50-F113 HydrophobicContact CB-CZ 3.69Å; E100-F113 HydrophobicContact CB-CD2 4.03Å; E100-F113 HydrophobicContact CB-CE2 3.54Å; E100-F113 HydrophobicContact CG-CE2 4.41Å; Q101-F113 WeakPolarHBondContact O-CD2 3.49Å; L102-F113 HydrophobicContact CB-CD2 3.8Å; L102-F113 HydrophobicContact CB-CE2 4.17Å; L102-F113 HydrophobicContact CB-CG 4.2Å; L102-F113 HydrophobicContact CD1-CB 3.79Å; L102-F113 HydrophobicContact CD1-CD1 4.22Å; L102-F113 HydrophobicContact CD1-CD2 4.35Å; L102-F113 HydrophobicContact CD1-CG 3.87Å; L102-F113 HydrophobicContact CD2-CD1 4.46Å; L102-F113 HydrophobicContact CD2-CE1 4.49Å; L102-F113 HydrophobicContact CG-CD2 4.46Å; L102-F113 HydrophobicContact CG-CG 4.41Å; S109-F113 WeakPolarHBondContact O-CB 3.44Å; S109-F113 PolarHBondContact O-N 2.93Å; I110-F113 PolarHBondContact O-N 3.32Å; R111-F113 VanDerWaalsContact C-N 3.32Å; R111-F113 PolarHBondContact O-N 3.35Å; F113-D115 VanDerWaalsContact C-N 3.27Å; F113-D115 PolarHBondContact O-N 3.23Å; F113-R116 PolarHBondContact O-N 3.23Å; F113-R116 VanDerWaalsContact O-N 3.17Å; F113-I117 HydrophobicContact CD1-CG1 3.96Å; F113-I117 HydrophobicContact CD2-CG1 4.45Å; F113-I117 HydrophobicContact CE1-CD1 4.31Å; F113-I117 HydrophobicContact CE1-CG1 3.49Å; F113-I117 VanDerWaalsContact CE1-CG1 3.49Å; F113-I117 HydrophobicContact CE2-CD1 4.05Å; F113-I117 HydrophobicContact CE2-CG1 4.08Å; F113-I117 HydrophobicContact CG-CG1 4.41Å; F113-I117 HydrophobicContact CZ-CD1 3.88Å; F113-I117 HydrophobicContact CZ-CG1 3.57Å; F113-I117 WeakPolarHBondContact O-CG1 3.47Å; F113-I117 PolarHBondContact O-N 3.48Å; F113-L159 HydrophobicContact CD1-CD1 3.57Å; F113-L159 HydrophobicContact CE1-CD1 3.73Å; F113-L163 HydrophobicContact CE1-CD1 4.41Å
114	A	98.9	Very high	98.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.8	-38.9	-178.8	0	0	0	0	0	111.9	I110 R111 I117 K118 L162 L163	I110-A114 WeakPolarHBondContact O-CB 3.35Å; I110-A114 PolarHBondContact O-N 3.37Å; R111-A114 PolarHBondContact O-N 2.73Å; R111-A114 VanDerWaalsContact O-N 3.17Å; A114-I117 PolarHBondContact O-N 2.99Å; A114-K118 WeakPolarHBondContact O-CB 3.36Å; A114-K118 WeakPolarHBondContact O-CE 3.31Å; A114-K118 VanDerWaalsContact O-CG 3.3Å; A114-K118 WeakPolarHBondContact O-CG 3.39Å; A114-K118 PolarHBondContact O-N 3.37Å; A114-L162 HydrophobicContact CB-CB 3.66Å; A114-L162 HydrophobicContact CB-CD1 3.9Å; A114-L162 HydrophobicContact CB-CG 4.42Å; A114-L163 HydrophobicContact CB-CD2 4.15Å
115	D	98.8	Very high	98.6	Very high	89 Å²	89	49.4 Å²	49.4	48%	0.476	24%	0.237	S	C	.	.	H	α-helix	trans	-65.4	-43.3	176.4	-69.3	-21.4	0	0	0	112	R111 E112 F113 I117 K118 S119	R111-D115 PolarHBondContact O-N 3.22Å; E112-D115 PolarHBondContact O-N 3.19Å; F113-D115 VanDerWaalsContact C-N 3.27Å; F113-D115 PolarHBondContact O-N 3.23Å; D115-I117 PolarHBondContact O-N 3.49Å; D115-K118 PolarHBondContact O-N 2.85Å; D115-K118 WeakPolarHBondContact OD1-CE 3.44Å; D115-K118 IonicContact OD1-NZ 2.59Å; D115-K118 PolarHBondContact OD1-NZ 2.87Å; D115-S119 WeakPolarHBondContact O-CB 3.36Å; D115-S119 PolarHBondContact O-N 3.32Å
116	R	98.8	Very high	98.7	Very high	73 Å²	73	49.7 Å²	49.7	28%	0.275	24%	0.237	S	C	.	.	H	α-helix	trans	-59.9	-44.5	172.6	-70.9	-167.7	-50.5	-83.8	1.4	111.9	E100 Q101 E112 F113 S119 K120	E100-R116 IonicContact OE2-CZ 3.95Å; E100-R116 IonicContact OE2-NE 3.87Å; E100-R116 PolarHBondContact OE2-NE 2.94Å; E100-R116 IonicContact OE2-NH2 3.37Å; E100-R116 PolarHBondContact OE2-NH2 3.43Å; Q101-R116 PolarHBondContact O-NH2 2.91Å; E112-R116 WeakPolarHBondContact O-CG 3.35Å; E112-R116 PolarHBondContact O-N 3Å; E112-R116 PolarHBondContact O-NH1 3.19Å; F113-R116 PolarHBondContact O-N 3.23Å; F113-R116 VanDerWaalsContact O-N 3.17Å; R116-S119 PolarHBondContact O-N 3.45Å; R116-S119 PolarHBondContact O-OG 3.14Å; R116-K120 WeakPolarHBondContact O-CG 3.46Å; R116-K120 PolarHBondContact O-N 3.03Å
117	I	98.8	Very high	98.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.8	-48.1	178.6	-61.2	-41.8	0	0	0	110.9	I24 I48 E100 F113 A114 D115 S119 K120 Y121 I124 L163 L166	I24-I117 HydrophobicContact CD1-CG2 4.18Å; I48-I117 HydrophobicContact CD1-CD1 4.22Å; I48-I117 HydrophobicContact CD1-CG2 4.49Å; I48-I117 HydrophobicContact CG2-CD1 4.03Å; E100-I117 HydrophobicContact CG-CD1 3.94Å; F113-I117 HydrophobicContact CD1-CG1 3.96Å; F113-I117 HydrophobicContact CD2-CG1 4.45Å; F113-I117 HydrophobicContact CE1-CD1 4.31Å; F113-I117 HydrophobicContact CE1-CG1 3.49Å; F113-I117 VanDerWaalsContact CE1-CG1 3.49Å; F113-I117 HydrophobicContact CE2-CD1 4.05Å; F113-I117 HydrophobicContact CE2-CG1 4.08Å; F113-I117 HydrophobicContact CG-CG1 4.41Å; F113-I117 HydrophobicContact CZ-CD1 3.88Å; F113-I117 HydrophobicContact CZ-CG1 3.57Å; F113-I117 WeakPolarHBondContact O-CG1 3.47Å; F113-I117 PolarHBondContact O-N 3.48Å; A114-I117 PolarHBondContact O-N 2.99Å; D115-I117 PolarHBondContact O-N 3.49Å; I117-S119 PolarHBondContact O-N 3.49Å; I117-K120 PolarHBondContact O-N 2.84Å; I117-K120 VanDerWaalsContact O-N 3.07Å; I117-Y121 HydrophobicContact CD1-CE2 4.27Å; I117-Y121 HydrophobicContact CG2-CD2 3.87Å; I117-Y121 WeakPolarHBondContact O-CD2 3.29Å; I117-Y121 PolarHBondContact O-N 2.91Å; I117-I124 HydrophobicContact CG2-CD1 4.07Å; I117-I124 HydrophobicContact CG2-CG1 4.32Å; I117-L163 HydrophobicContact CB-CD2 4.22Å; I117-L163 HydrophobicContact CG2-CD2 4.09Å; I117-L166 HydrophobicContact CG2-CD1 3.71Å
118	K	98.6	Very high	98.7	Very high	83 Å²	83	48.6 Å²	48.6	36%	0.361	23%	0.231	S	C	.	.	H	α-helix	trans	-61.2	-29.9	177.9	-72.7	176.5	-63.2	174.9	0	113.1	A114 D115 K120 L166	A114-K118 WeakPolarHBondContact O-CB 3.36Å; A114-K118 WeakPolarHBondContact O-CE 3.31Å; A114-K118 VanDerWaalsContact O-CG 3.3Å; A114-K118 WeakPolarHBondContact O-CG 3.39Å; A114-K118 PolarHBondContact O-N 3.37Å; D115-K118 PolarHBondContact O-N 2.85Å; D115-K118 WeakPolarHBondContact OD1-CE 3.44Å; D115-K118 IonicContact OD1-NZ 2.59Å; D115-K118 PolarHBondContact OD1-NZ 2.87Å; K118-K120 VanDerWaalsContact C-N 3.34Å; K118-L166 HydrophobicContact CG-CD1 3.93Å; K118-L166 HydrophobicContact CG-CD2 4.35Å; K118-L166 HydrophobicContact CG-CG 4.11Å
119	S	98.4	Very high	98.7	Very high	94 Å²	94	42.5 Å²	42.5	66%	0.657	21%	0.205	S	C	*	.	H	α-helix	trans	-72.8	-25.2	176.3	75.1	0	0	0	0	113.7	D115 R116 I117	D115-S119 WeakPolarHBondContact O-CB 3.36Å; D115-S119 PolarHBondContact O-N 3.32Å; R116-S119 PolarHBondContact O-N 3.45Å; R116-S119 PolarHBondContact O-OG 3.14Å; I117-S119 PolarHBondContact O-N 3.49Å
120	K	98.3	Very high	98.7	Very high	118 Å²	118	42.7 Å²	42.7	51%	0.513	21%	0.205	S	C	.	.	H	α-helix	trans	-104	-29.6	-173.6	-67.1	177.8	-174.7	-179.3	0	113.6	E100 R116 I117 K118	E100-K120 IonicContact OE1-NZ 2.77Å; E100-K120 PolarHBondContact OE1-NZ 2.76Å; R116-K120 WeakPolarHBondContact O-CG 3.46Å; R116-K120 PolarHBondContact O-N 3.03Å; I117-K120 PolarHBondContact O-N 2.84Å; I117-K120 VanDerWaalsContact O-N 3.07Å; K118-K120 VanDerWaalsContact C-N 3.34Å
121	Y	98.3	Very high	98.4	Very high	44 Å²	44	43.6 Å²	43.6	17%	0.173	21%	0.212	C	C	.	.			trans	-128.6	140	-172.3	-52.2	-80	0	0	0	111	I22 I48 L98 I117 L166	I22-Y121 HydrophobicContact CD1-CD1 3.76Å; I22-Y121 HydrophobicContact CD1-CE1 4.39Å; I48-Y121 HydrophobicContact CD1-CD2 3.87Å; I48-Y121 HydrophobicContact CD1-CE1 4.48Å; I48-Y121 HydrophobicContact CD1-CE2 3.52Å; I48-Y121 HydrophobicContact CD1-CG 4.49Å; I48-Y121 HydrophobicContact CG1-CE2 4.31Å; L98-Y121 HydrophobicContact CD1-CE1 4.47Å; L98-Y121 WeakPolarHBondContact CD1-OH 3.21Å; I117-Y121 HydrophobicContact CD1-CE2 4.27Å; I117-Y121 HydrophobicContact CG2-CD2 3.87Å; I117-Y121 WeakPolarHBondContact O-CD2 3.29Å; I117-Y121 PolarHBondContact O-N 2.91Å; Y121-L166 VanDerWaalsContact O-CD2 3.3Å; Y121-L166 WeakPolarHBondContact O-CD2 3.47Å
122	N	97.6	Very high	98	Very high	121 Å²	121	41.2 Å²	41.2	65%	0.647	22%	0.215	S	C	*	.	S	Bend	trans	-91.9	-8.5	175.8	63.1	10	0	0	0	113.3	N169	N122-N169 WeakPolarHBondContact O-CB 2.87Å; N122-N169 PolarHBondContact O-ND2 2.98Å
123	K	98.5	Very high	97.6	Very high	59 Å²	59	39.2 Å²	39.2	26%	0.257	21%	0.207	S	C	.	.			trans	-154.7	153.1	-175.2	79.3	176.7	-177.7	165.1	0	111.3	G20 I22 D125 L166 N169 A170	G20-K123 PolarHBondContact O-NZ 3.17Å; I22-K123 HydrophobicContact CD1-CG 4.46Å; K123-D125 IonicContact NZ-OD2 3.56Å; K123-L166 WeakPolarHBondContact CA-O 3.38Å; K123-N169 HydrophobicContact CB-CB 4.2Å; K123-A170 HydrophobicContact CB-CB 3.94Å; K123-A170 HydrophobicContact CG-CB 4.44Å
124	I	98.9	Very high	97.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.			trans	-136	120.1	168.4	-64.4	-64.2	0	0	0	108.3	I22 I24 I48 I117 F126 L166 L167 A170	I22-I124 HydrophobicContact CB-CD1 4.35Å; I22-I124 HydrophobicContact CG2-CD1 3.68Å; I24-I124 HydrophobicContact CD1-CD1 3.8Å; I24-I124 HydrophobicContact CD1-CG1 3.95Å; I24-I124 HydrophobicContact CD1-CG2 4.08Å; I24-I124 HydrophobicContact CG1-CD1 4.03Å; I24-I124 HydrophobicContact CG1-CG2 4.27Å; I48-I124 HydrophobicContact CD1-CD1 3.88Å; I117-I124 HydrophobicContact CG2-CD1 4.07Å; I117-I124 HydrophobicContact CG2-CG1 4.32Å; I124-F126 WeakPolarHBondContact CG2-O 3.39Å; I124-L166 HydrophobicContact CB-CB 4.27Å; I124-L166 HydrophobicContact CG1-CB 3.93Å; I124-L166 HydrophobicContact CG1-CD1 3.94Å; I124-L166 PolarHBondContact N-O 3.07Å; I124-L167 HydrophobicContact CB-CD2 4.38Å; I124-L167 HydrophobicContact CG2-CD2 4.08Å; I124-L167 WeakPolarHBondContact O-CD2 3.2Å; I124-A170 VanDerWaalsContact C-CB 3.46Å; I124-A170 WeakPolarHBondContact O-CB 3.43Å
125	D	98.8	Very high	96.7	Very high	2 Å²	2	42 Å²	42	1%	0.011	22%	0.222	C	C	.	.	S	Bend	trans	-83	-33	-177.1	-60.8	-97.6	0	0	0	112.4	K21 I22 K123 A170 S173 R174	K21-D125 VanDerWaalsContact CA-OD2 3.31Å; K21-D125 WeakPolarHBondContact CA-OD2 3.37Å; K21-D125 HydrophobicContact CB-CB 4.16Å; K21-D125 HydrophobicContact CD-CB 3.87Å; K21-D125 WeakPolarHBondContact CD-OD1 3.19Å; K21-D125 WeakPolarHBondContact CE-OD1 3.46Å; K21-D125 IonicContact NZ-OD1 3.05Å; K21-D125 PolarHBondContact NZ-OD1 3.34Å; I22-D125 PolarHBondContact N-OD2 3.46Å; I22-D125 PolarHBondContact O-N 3.01Å; K123-D125 IonicContact NZ-OD2 3.56Å; D125-A170 HydrophobicContact CB-CB 4.47Å; D125-S173 CarbonylContact O-C 3.6Å; D125-S173 VanDerWaalsContact O-CA 3.26Å; D125-S173 WeakPolarHBondContact O-CA 3.35Å; D125-S173 WeakPolarHBondContact O-CB 3.32Å; D125-R174 PolarHBondContact O-N 2.95Å
126	F	98.9	Very high	96.3	Very high	11 Å²	11	42.3 Å²	42.3	5%	0.048	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	125.7	179.5	-51.7	-79.1	0	0	0	111.8	L18 K21 I22 A23 I24 I124 I128 R174 A277	L18-F126 HydrophobicContact CD1-CE2 4.2Å; L18-F126 HydrophobicContact CD2-CE2 3.9Å; L18-F126 HydrophobicContact CD2-CZ 3.81Å; K21-F126 HydrophobicContact CB-CE2 4Å; K21-F126 HydrophobicContact CG-CE2 4.35Å; I22-F126 PolarHBondContact O-N 2.81Å; I22-F126 VanDerWaalsContact O-N 3.12Å; A23-F126 CarbonylContact C-O 3.57Å; A23-F126 VanDerWaalsContact CA-O 3.29Å; A23-F126 WeakPolarHBondContact CA-O 3.46Å; A23-F126 HydrophobicContact CB-CB 3.86Å; A23-F126 HydrophobicContact CB-CD2 4.12Å; A23-F126 HydrophobicContact CB-CG 4.46Å; I24-F126 PolarHBondContact N-O 2.72Å; I124-F126 WeakPolarHBondContact CG2-O 3.39Å; F126-I128 HydrophobicContact CB-CD1 4.18Å; F126-R174 CarbonylContact C-O 3.55Å; F126-R174 WeakPolarHBondContact CA-O 3.47Å; F126-R174 HydrophobicContact CD1-CB 4.04Å; F126-R174 HydrophobicContact CD1-CG 4.28Å; F126-R174 HydrophobicContact CE1-CB 4.49Å; F126-R174 HydrophobicContact CE1-CG 4.24Å; F126-A277 HydrophobicContact CD1-CB 4.29Å; F126-A277 HydrophobicContact CE1-CB 4.33Å; F126-A277 VanDerWaalsContact CE1-O 3.26Å; F126-A277 WeakPolarHBondContact CE1-O 3.2Å
127	L	99	Very high	96	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	109.9	165.4	176.3	60	0	0	0	109.3	I24 L159 T160 L163 L167 R174 I175 I176	I24-L127 HydrophobicContact CB-CD1 3.89Å; I24-L127 HydrophobicContact CG2-CD1 3.8Å; L127-L159 HydrophobicContact CD1-CD2 4.18Å; L127-T160 HydrophobicContact CD2-CG2 4.32Å; L127-L163 HydrophobicContact CD1-CD1 4.29Å; L127-L163 HydrophobicContact CD2-CD1 4.4Å; L127-L167 HydrophobicContact CB-CD1 4.47Å; L127-L167 HydrophobicContact CB-CD2 4.06Å; L127-L167 HydrophobicContact CD2-CD1 4.2Å; L127-R174 PolarHBondContact N-O 2.77Å; L127-I175 HydrophobicContact CD2-CG2 4.42Å; L127-I175 WeakPolarHBondContact O-CA 3.26Å; L127-I176 PolarHBondContact O-N 2.98Å
128	I	98.9	Very high	96	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	98.7	178.2	-42.7	-59.2	0	0	0	109.1	I24 V25 T26 T36 L40 F126 N130 I176 T273	I24-I128 PolarHBondContact O-N 2.82Å; V25-I128 HydrophobicContact CB-CB 4.44Å; V25-I128 HydrophobicContact CG1-CB 4.13Å; V25-I128 HydrophobicContact CG1-CG2 4.32Å; V25-I128 HydrophobicContact CG2-CB 4.25Å; V25-I128 HydrophobicContact CG2-CG1 4.02Å; T26-I128 PolarHBondContact N-O 2.9Å; T26-I128 VanDerWaalsContact N-O 3.1Å; T26-I128 PolarHBondContact OG1-O 3.31Å; T36-I128 HydrophobicContact CG2-CG2 4.39Å; L40-I128 HydrophobicContact CD1-CG1 4.47Å; F126-I128 HydrophobicContact CB-CD1 4.18Å; I128-N130 HydrophobicContact CG2-CB 3.99Å; I128-N130 PolarHBondContact O-N 3.17Å; I128-I176 HydrophobicContact CD1-CB 3.84Å; I128-I176 HydrophobicContact CD1-CD1 3.46Å; I128-I176 VanDerWaalsContact CD1-CD1 3.46Å; I128-I176 HydrophobicContact CD1-CG1 4.1Å; I128-T273 HydrophobicContact CG2-CG2 3.72Å
129	N	98.9	Very high	96	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.032	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	73.1	171.8	-68.5	-40	0	0	0	109.3	T26 P156 T160 I176 N177 V178	T26-N129 WeakPolarHBondContact OG1-CA 3.45Å; N129-P156 HydrophobicContact CB-CB 4.16Å; N129-T160 PolarHBondContact ND2-OG1 3.04Å; N129-T160 VanDerWaalsContact ND2-OG1 3.11Å; N129-I176 PolarHBondContact N-O 3.4Å; N129-N177 WeakPolarHBondContact CB-OD1 3.36Å; N129-N177 PolarHBondContact ND2-OD1 3.48Å; N129-V178 PolarHBondContact O-N 2.96Å
130	N	98.3	Very high	96	Very high	21 Å²	21	45.2 Å²	45.2	11%	0.112	24%	0.238	C	C	.	.			trans	-93.2	-33.6	-178.4	162.8	89.5	0	0	0	113.4	T26 G27 G33 I128 G132 V178	T26-N130 WeakPolarHBondContact O-CB 3.42Å; T26-N130 PolarHBondContact O-ND2 3.13Å; T26-N130 PolarHBondContact OG1-N 2.78Å; G27-N130 PolarHBondContact O-ND2 3.39Å; G33-N130 VanDerWaalsContact CA-ND2 3.34Å; G33-N130 WeakPolarHBondContact CA-ND2 3.16Å; G33-N130 PolarHBondContact N-OD1 3.38Å; I128-N130 HydrophobicContact CG2-CB 3.99Å; I128-N130 PolarHBondContact O-N 3.17Å; N130-G132 PolarHBondContact O-N 3.43Å; N130-V178 HydrophobicContact CB-CG2 3.95Å
131	A	93.4	Very high	96	Very high	19 Å²	19	40 Å²	40	16%	0.157	22%	0.216	C	C	.	.			trans	-55.4	139.7	-177.6	0	0	0	0	0	111	T26 L104	T26-A131 PolarHBondContact O-N 2.75Å; T26-A131 PolarHBondContact OG1-N 3.04Å; L104-A131 HydrophobicContact CD1-CB 3.55Å
132	G	90.5	Very high	96	Very high	37 Å²	37	44.7 Å²	44.7	38%	0.381	24%	0.24	S	C	.	.			trans	-176.9	162.6	173.8	0	0	0	0	0	112.3	N130 N152	N130-G132 PolarHBondContact O-N 3.43Å; G132-N152 WeakPolarHBondContact CA-OD1 3.36Å
133	L	90.9	Very high	96	Very high	47 Å²	47	42.2 Å²	42.2	25%	0.246	23%	0.226	C	C	.	.			trans	-147.2	174.2	-178.6	57.5	71.5	0	0	0	111	L135 M147 V151 N152 Y206	L133-L135 HydrophobicContact CD1-CD2 4.5Å; L133-L135 HydrophobicContact CD1-CG 3.97Å; L133-M147 HydrophobicContact CD1-CG 4.46Å; L133-V151 HydrophobicContact CD2-CB 4.17Å; L133-V151 HydrophobicContact CD2-CG1 3.97Å; L133-V151 HydrophobicContact CD2-CG2 4.06Å; L133-V151 HydrophobicContact CG-CB 4.09Å; L133-V151 HydrophobicContact CG-CG1 3.89Å; L133-V151 HydrophobicContact CG-CG2 4.49Å; L133-N152 PolarHBondContact N-OD1 2.96Å; L133-N152 PolarHBondContact O-ND2 3.1Å; L133-N152 PolarHBondContact O-OD1 3.19Å; L133-Y206 WeakPolarHBondContact O-CD2 3.47Å
134	I	88.9	Confident	96	Very high	17 Å²	17	41.5 Å²	41.5	9%	0.087	24%	0.236	C	C	.	.			trans	-139.3	132.2	167.2	-178.1	172.3	0	0	0	105.8	A202 Y206 V243	I134-A202 HydrophobicContact CD1-CB 4.25Å; I134-A202 HydrophobicContact CG1-CB 4.13Å; I134-Y206 HydrophobicContact CB-CD2 4Å; I134-Y206 HydrophobicContact CB-CG 4.23Å; I134-Y206 HydrophobicContact CD1-CD1 4.32Å; I134-Y206 HydrophobicContact CD1-CG 3.97Å; I134-Y206 HydrophobicContact CG1-CD2 4.5Å; I134-Y206 HydrophobicContact CG1-CG 4.29Å; I134-V243 HydrophobicContact CG2-CG1 3.57Å; I134-V243 VanDerWaalsContact CG2-O 3.27Å; I134-V243 WeakPolarHBondContact CG2-O 3.45Å
135	L	89.8	Confident	96	Very high	42 Å²	42	42.3 Å²	42.3	22%	0.22	24%	0.239	C	C	.	.			trans	-114.5	136.2	175.9	-65.3	-173.1	0	0	0	111	L133 N137 T139 M147 Y200 A202	L133-L135 HydrophobicContact CD1-CD2 4.5Å; L133-L135 HydrophobicContact CD1-CG 3.97Å; L135-N137 VanDerWaalsContact C-N 3.33Å; L135-N137 PolarHBondContact O-N 3.11Å; L135-T139 WeakPolarHBondContact CD1-OG1 3.48Å; L135-M147 HydrophobicContact CD1-CB 3.91Å; L135-M147 HydrophobicContact CD1-CG 3.43Å; L135-M147 VanDerWaalsContact CD1-CG 3.43Å; L135-M147 HydrophobicContact CG-CG 4.4Å; L135-Y200 PolarHBondContact O-OH 3.23Å; L135-A202 WeakPolarHBondContact O-CB 3.32Å
136	Q	88.9	Confident	95.9	Very high	94 Å²	94	42.2 Å²	42.2	44%	0.439	24%	0.239	S	C	.	.	S	Bend	trans	-65.8	-38.4	177.9	-178	56.3	37.7	0	0	112.2	D246	Q136-D246 HydrophobicContact CB-CB 4.47Å
137	N	94.4	Very high	95.9	Very high	122 Å²	122	43.2 Å²	43.2	65%	0.652	24%	0.244	S	C	*	.	S	Bend	trans	-107.6	142.5	-176.4	-62.5	-32.8	0	0	0	110.9	L135 T139	L135-N137 VanDerWaalsContact C-N 3.33Å; L135-N137 PolarHBondContact O-N 3.11Å; N137-T139 PolarHBondContact O-N 2.91Å
138	Y	97.4	Very high	95.8	Very high	64 Å²	64	43.2 Å²	43.2	25%	0.251	24%	0.244	S	C	.	.			trans	-60.2	127.1	173.6	-177.8	-88.4	0	0	0	110.5	T140 E146 Q197 Y200	Y138-T140 HydrophobicContact CE1-CG2 3.86Å; Y138-E146 HydrophobicContact CD2-CG 4.03Å; Y138-E146 HydrophobicContact CE2-CB 4.1Å; Y138-E146 HydrophobicContact CE2-CG 3.8Å; Y138-Q197 HydrophobicContact CD1-CB 3.69Å; Y138-Q197 HydrophobicContact CD1-CG 3.66Å; Y138-Q197 HydrophobicContact CD2-CB 4.32Å; Y138-Q197 HydrophobicContact CE1-CB 3.74Å; Y138-Q197 HydrophobicContact CE1-CG 4.16Å; Y138-Q197 HydrophobicContact CE2-CB 4.34Å; Y138-Q197 HydrophobicContact CG-CB 3.99Å; Y138-Q197 HydrophobicContact CG-CG 3.99Å; Y138-Y200 AromaticContact CD2-CD2 3.73Å; Y138-Y200 HydrophobicContact CD2-CD2 3.73Å; Y138-Y200 HydrophobicContact CD2-CE2 4.49Å; Y138-Y200 AromaticContact CD2-CG 3.78Å; Y138-Y200 HydrophobicContact CD2-CG 3.78Å; Y138-Y200 HydrophobicContact CG-CG 4.35Å
139	T	98.1	Very high	95.8	Very high	61 Å²	61	43.2 Å²	43.2	37%	0.374	24%	0.244	S	C	.	.			trans	-147.6	168.1	170.5	55.3	0	0	0	0	107.9	L135 N137 M147	L135-T139 WeakPolarHBondContact CD1-OG1 3.48Å; N137-T139 PolarHBondContact O-N 2.91Å; T139-M147 WeakPolarHBondContact O-CB 3.42Å; T139-M147 PolarHBondContact O-N 3.12Å; T139-M147 WeakPolarHBondContact OG1-CB 3.45Å
140	T	98.5	Very high	95.8	Very high	65 Å²	65	43 Å²	43	40%	0.399	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-119.7	154.1	180	58.2	0	0	0	0	112.5	Y138 F145 M147	Y138-T140 HydrophobicContact CE1-CG2 3.86Å; T140-F145 CarbonylContact C-O 3.43Å; T140-F145 WeakPolarHBondContact CA-O 3.29Å; T140-F145 WeakPolarHBondContact CB-O 3.44Å; T140-M147 WeakPolarHBondContact O-CE 3.3Å
141	T	98.5	Very high	95.8	Very high	9 Å²	9	42.7 Å²	42.7	6%	0.055	24%	0.242	C	C	.	.			trans	-62.4	172.5	164.5	64.3	0	0	0	0	111.3	A105 D143 G144 F145 M147	A105-T141 HydrophobicContact CB-CG2 4.15Å; A105-T141 VanDerWaalsContact O-CB 3.26Å; A105-T141 WeakPolarHBondContact O-CB 3.33Å; T141-D143 PolarHBondContact O-N 3.17Å; T141-D143 PolarHBondContact OG1-N 2.96Å; T141-G144 PolarHBondContact O-N 3.36Å; T141-G144 VanDerWaalsContact O-N 3.11Å; T141-G144 PolarHBondContact OG1-N 3.31Å; T141-F145 HydrophobicContact CG2-CB 4.18Å; T141-F145 PolarHBondContact N-O 3.05Å; T141-F145 PolarHBondContact OG1-N 2.91Å; T141-F145 PolarHBondContact OG1-O 3.38Å; T141-M147 HydrophobicContact CG2-SD 4.03Å
142	E	97.9	Very high	96	Very high	142 Å²	142	41.9 Å²	41.9	66%	0.664	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-35.7	173.3	-67.5	-176.5	177.1	0	0	111.8	A105 S106	A105-E142 PolarHBondContact O-N 2.9Å; A105-E142 VanDerWaalsContact O-N 3.07Å; S106-E142 WeakPolarHBondContact CB-OE2 3.47Å; S106-E142 PolarHBondContact OG-OE2 2.82Å
143	D	98.5	Very high	96.4	Very high	69 Å²	69	40.1 Å²	40.1	37%	0.369	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	8.7	-178.4	-46.3	-95.7	0	0	0	114.3	L107 T141 F145	L107-D143 WeakPolarHBondContact CB-OD1 3.28Å; L107-D143 HydrophobicContact CD1-CB 4.19Å; L107-D143 HydrophobicContact CG-CB 4Å; L107-D143 VanDerWaalsContact CG-CG 3.43Å; L107-D143 WeakPolarHBondContact CG-OD2 3.31Å; L107-D143 PolarHBondContact N-OD2 3.47Å; T141-D143 PolarHBondContact O-N 3.17Å; T141-D143 PolarHBondContact OG1-N 2.96Å; D143-F145 HydrophobicContact CB-CD2 4.05Å; D143-F145 HydrophobicContact CB-CE2 3.84Å
144	G	98.1	Very high	96.8	Very high	44 Å²	44	37.9 Å²	37.9	45%	0.454	21%	0.205	S	C	.	.	S	Bend	trans	85.8	7.2	173.1	0	0	0	0	0	116.8	T141	T141-G144 PolarHBondContact O-N 3.36Å; T141-G144 VanDerWaalsContact O-N 3.11Å; T141-G144 PolarHBondContact OG1-N 3.31Å
145	F	98.6	Very high	97.3	Very high	17 Å²	17	37.1 Å²	37.1	8%	0.075	20%	0.202	C	C	.	.	S	Bend	trans	-75	148.5	171	-58	-72.1	0	0	0	110.8	L107 T140 T141 D143 M147 F154 L316 L317	L107-F145 HydrophobicContact CD1-CE2 3.92Å; L107-F145 HydrophobicContact CD2-CE2 4.32Å; L107-F145 HydrophobicContact CG-CE2 4.25Å; T140-F145 CarbonylContact C-O 3.43Å; T140-F145 WeakPolarHBondContact CA-O 3.29Å; T140-F145 WeakPolarHBondContact CB-O 3.44Å; T141-F145 HydrophobicContact CG2-CB 4.18Å; T141-F145 PolarHBondContact N-O 3.05Å; T141-F145 PolarHBondContact OG1-N 2.91Å; T141-F145 PolarHBondContact OG1-O 3.38Å; D143-F145 HydrophobicContact CB-CD2 4.05Å; D143-F145 HydrophobicContact CB-CE2 3.84Å; F145-M147 PolarHBondContact O-N 3.34Å; F145-F154 HydrophobicContact CB-CD2 3.97Å; F145-F154 HydrophobicContact CB-CE2 4.33Å; F145-F154 AromaticContact CD1-CD2 3.67Å; F145-F154 HydrophobicContact CD1-CD2 3.67Å; F145-F154 AromaticContact CD1-CE2 3.67Å; F145-F154 HydrophobicContact CD1-CE2 3.67Å; F145-F154 HydrophobicContact CD1-CG 4.15Å; F145-F154 HydrophobicContact CD1-CZ 4.15Å; F145-F154 HydrophobicContact CE1-CD2 4.39Å; F145-F154 HydrophobicContact CE1-CE2 4.4Å; F145-F154 HydrophobicContact CE1-CG 4.46Å; F145-F154 HydrophobicContact CE1-CZ 4.48Å; F145-F154 AromaticContact CG-CD2 3.82Å; F145-F154 HydrophobicContact CG-CD2 3.82Å; F145-F154 HydrophobicContact CG-CE2 4.22Å; F145-F154 HydrophobicContact CG-CG 4.32Å; F145-L316 HydrophobicContact CE1-CB 4.14Å; F145-L317 HydrophobicContact CE2-CD2 4.24Å; F145-L317 HydrophobicContact CZ-CD2 4.11Å
146	E	98.3	Very high	97.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-55.2	127.4	167.7	-176.8	-76.2	125.7	0	0	108.8	Y138 T148 M149 G150 Q194 Y200	Y138-E146 HydrophobicContact CD2-CG 4.03Å; Y138-E146 HydrophobicContact CE2-CB 4.1Å; Y138-E146 HydrophobicContact CE2-CG 3.8Å; E146-T148 VanDerWaalsContact C-N 3.34Å; E146-T148 VanDerWaalsContact CD-N 3.32Å; E146-T148 PolarHBondContact O-N 3.47Å; E146-T148 WeakPolarHBondContact OE1-CB 3.35Å; E146-T148 PolarHBondContact OE1-N 3.24Å; E146-T148 PolarHBondContact OE1-OG1 2.91Å; E146-T148 VanDerWaalsContact OE1-OG1 3.12Å; E146-T148 WeakPolarHBondContact OE2-CB 3.11Å; E146-T148 PolarHBondContact OE2-N 3.37Å; E146-M149 PolarHBondContact O-N 3.15Å; E146-M149 VanDerWaalsContact O-N 3.14Å; E146-M149 WeakPolarHBondContact OE2-CB 3.44Å; E146-M149 WeakPolarHBondContact OE2-CG 3.29Å; E146-M149 PolarHBondContact OE2-N 3.36Å; E146-G150 PolarHBondContact O-N 3.31Å; E146-Q194 HydrophobicContact CB-CB 4.23Å; E146-Q194 HydrophobicContact CB-CG 4.47Å; E146-Y200 HydrophobicContact CG-CD2 3.9Å; E146-Y200 HydrophobicContact CG-CE2 3.75Å; E146-Y200 VanDerWaalsContact OE1-CE2 3.22Å; E146-Y200 WeakPolarHBondContact OE1-CE2 3.37Å
147	M	98.3	Very high	98.2	Very high	31 Å²	31	30.8 Å²	30.8	15%	0.153	17%	0.171	C	C	.	.	H	α-helix	trans	-55.6	-41.8	-164.5	-176.9	61.5	76.4	0	0	114.5	A105 L133 L135 T139 T140 T141 F145 G150 V151	A105-M147 HydrophobicContact CB-CE 4.38Å; A105-M147 HydrophobicContact CB-SD 3.74Å; L133-M147 HydrophobicContact CD1-CG 4.46Å; L135-M147 HydrophobicContact CD1-CB 3.91Å; L135-M147 HydrophobicContact CD1-CG 3.43Å; L135-M147 VanDerWaalsContact CD1-CG 3.43Å; L135-M147 HydrophobicContact CG-CG 4.4Å; T139-M147 WeakPolarHBondContact O-CB 3.42Å; T139-M147 PolarHBondContact O-N 3.12Å; T139-M147 WeakPolarHBondContact OG1-CB 3.45Å; T140-M147 WeakPolarHBondContact O-CE 3.3Å; T141-M147 HydrophobicContact CG2-SD 4.03Å; F145-M147 PolarHBondContact O-N 3.34Å; M147-G150 PolarHBondContact O-N 2.57Å; M147-V151 PolarHBondContact O-N 3.36Å; M147-V151 HydrophobicContact SD-CG2 3.87Å
148	T	97.2	Very high	98.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.4	-48.1	179.2	-55.1	0	0	0	0	110.9	E146 N152 Y200 Y206	E146-T148 VanDerWaalsContact C-N 3.34Å; E146-T148 VanDerWaalsContact CD-N 3.32Å; E146-T148 PolarHBondContact O-N 3.47Å; E146-T148 WeakPolarHBondContact OE1-CB 3.35Å; E146-T148 PolarHBondContact OE1-N 3.24Å; E146-T148 PolarHBondContact OE1-OG1 2.91Å; E146-T148 VanDerWaalsContact OE1-OG1 3.12Å; E146-T148 WeakPolarHBondContact OE2-CB 3.11Å; E146-T148 PolarHBondContact OE2-N 3.37Å; T148-N152 WeakPolarHBondContact O-CB 3.34Å; T148-N152 VanDerWaalsContact O-CG 3.23Å; T148-N152 PolarHBondContact O-N 3.06Å; T148-Y200 PolarHBondContact OG1-OH 2.92Å; T148-Y206 HydrophobicContact CG2-CD2 4.34Å
149	M	98.6	Very high	98.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.6	-40.1	173.8	-76	-61.6	-59.6	0	0	112.4	E146 Y153 F154 L193 Q194 T208 S209 A212	E146-M149 PolarHBondContact O-N 3.15Å; E146-M149 VanDerWaalsContact O-N 3.14Å; E146-M149 WeakPolarHBondContact OE2-CB 3.44Å; E146-M149 WeakPolarHBondContact OE2-CG 3.29Å; E146-M149 PolarHBondContact OE2-N 3.36Å; M149-Y153 HydrophobicContact CE-CD1 3.69Å; M149-Y153 HydrophobicContact CE-CG 4.27Å; M149-Y153 WeakPolarHBondContact O-CA 3.47Å; M149-Y153 WeakPolarHBondContact O-CB 3.2Å; M149-Y153 PolarHBondContact O-N 3.03Å; M149-F154 HydrophobicContact CB-CD2 4.05Å; M149-F154 HydrophobicContact CB-CE2 3.86Å; M149-F154 HydrophobicContact CE-CE2 4.28Å; M149-F154 PolarHBondContact O-N 3.48Å; M149-L193 WeakPolarHBondContact CE-O 3.5Å; M149-Q194 HydrophobicContact CB-CB 4.11Å; M149-Q194 HydrophobicContact CG-CB 3.8Å; M149-T208 HydrophobicContact CE-CG2 4.45Å; M149-T208 HydrophobicContact SD-CG2 3.9Å; M149-S209 WeakPolarHBondContact SD-CA 3.47Å; M149-S209 VanDerWaalsContact SD-CB 3.55Å; M149-S209 PolarHBondContact SD-N 2.97Å; M149-S209 VanDerWaalsContact SD-N 3.44Å; M149-A212 HydrophobicContact CE-CB 4.3Å
150	G	98.7	Very high	98.5	Very high	2 Å²	2	19 Å²	19	2%	0.021	11%	0.11	C	C	.	.	I	π-helix	trans	-54.2	-60.4	174.9	0	0	0	0	0	112	E146 M147 F154 G155	E146-G150 PolarHBondContact O-N 3.31Å; M147-G150 PolarHBondContact O-N 2.57Å; G150-F154 PolarHBondContact O-N 3.32Å; G150-G155 PolarHBondContact O-N 3.45Å
151	V	98	Very high	98.5	Very high	14 Å²	14	16.4 Å²	16.4	9%	0.085	9%	0.093	C	C	.	.	I	π-helix	trans	-73.3	-39.7	-175.3	172.3	0	0	0	0	112.8	L104 A105 L133 M147 P156	L104-V151 HydrophobicContact CB-CG1 4.24Å; A105-V151 HydrophobicContact CB-CG2 3.79Å; L133-V151 HydrophobicContact CD2-CB 4.17Å; L133-V151 HydrophobicContact CD2-CG1 3.97Å; L133-V151 HydrophobicContact CD2-CG2 4.06Å; L133-V151 HydrophobicContact CG-CB 4.09Å; L133-V151 HydrophobicContact CG-CG1 3.89Å; L133-V151 HydrophobicContact CG-CG2 4.49Å; M147-V151 PolarHBondContact O-N 3.36Å; M147-V151 HydrophobicContact SD-CG2 3.87Å; V151-P156 WeakPolarHBondContact O-CD 3.42Å; V151-P156 WeakPolarHBondContact O-CG 3.02Å
152	N	98.5	Very high	98.5	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.011	10%	0.1	C	C	.	.	I	π-helix	trans	-84.4	-22.8	-173.8	-64.8	-1.5	0	0	0	113.1	G132 L133 T148 S209 N213	G132-N152 WeakPolarHBondContact CA-OD1 3.36Å; L133-N152 PolarHBondContact N-OD1 2.96Å; L133-N152 PolarHBondContact O-ND2 3.1Å; L133-N152 PolarHBondContact O-OD1 3.19Å; T148-N152 WeakPolarHBondContact O-CB 3.34Å; T148-N152 VanDerWaalsContact O-CG 3.23Å; T148-N152 PolarHBondContact O-N 3.06Å; N152-S209 PolarHBondContact ND2-OG 2.94Å; N152-N213 PolarHBondContact O-ND2 3.37Å
153	Y	98.9	Very high	98.5	Very high	1 Å²	1	10.9 Å²	10.9	0%	0.004	7%	0.068	C	C	.	.	I	π-helix	trans	-132.1	-64.2	-172.7	174.5	-118.8	0	0	0	114.4	M149 G155 P156 F157 A212 H216 F309 T313	M149-Y153 HydrophobicContact CE-CD1 3.69Å; M149-Y153 HydrophobicContact CE-CG 4.27Å; M149-Y153 WeakPolarHBondContact O-CA 3.47Å; M149-Y153 WeakPolarHBondContact O-CB 3.2Å; M149-Y153 PolarHBondContact O-N 3.03Å; Y153-G155 VanDerWaalsContact C-N 3.34Å; Y153-G155 PolarHBondContact O-N 3.33Å; Y153-P156 WeakPolarHBondContact O-CD 3.38Å; Y153-F157 HydrophobicContact CE2-CB 4.13Å; Y153-F157 AromaticContact CE2-CD2 3.86Å; Y153-F157 HydrophobicContact CE2-CD2 3.86Å; Y153-F157 HydrophobicContact CE2-CG 4.4Å; Y153-F157 AromaticContact CZ-CD2 3.92Å; Y153-F157 WeakPolarHBondContact O-CB 3.31Å; Y153-F157 PolarHBondContact O-N 3.23Å; Y153-F157 WeakPolarHBondContact OH-CD2 3.49Å; Y153-A212 HydrophobicContact CD1-CB 3.82Å; Y153-A212 HydrophobicContact CD2-CB 3.59Å; Y153-A212 HydrophobicContact CE1-CB 4.22Å; Y153-A212 HydrophobicContact CE2-CB 4.05Å; Y153-A212 HydrophobicContact CG-CB 3.47Å; Y153-A212 VanDerWaalsContact CG-CB 3.47Å; Y153-H216 HydrophobicContact CE2-CB 3.97Å; Y153-F309 HydrophobicContact CD1-CZ 4.39Å; Y153-F309 AromaticContact CE1-CE1 3.61Å; Y153-F309 HydrophobicContact CE1-CE1 3.61Å; Y153-F309 AromaticContact CE1-CZ 3.77Å; Y153-F309 HydrophobicContact CE1-CZ 3.77Å; Y153-F309 HydrophobicContact CE2-CE1 4.05Å; Y153-F309 AromaticContact CZ-CE1 3.33Å; Y153-F309 AromaticContact CZ-CZ 3.98Å; Y153-F309 WeakPolarHBondContact OH-CE1 3.44Å; Y153-T313 HydrophobicContact CE1-CG2 3.91Å; Y153-T313 WeakPolarHBondContact CE1-OG1 3.41Å; Y153-T313 WeakPolarHBondContact OH-CB 3.32Å; Y153-T313 VanDerWaalsContact OH-CG2 3.28Å; Y153-T313 WeakPolarHBondContact OH-CG2 3.39Å; Y153-T313 PolarHBondContact OH-OG1 2.96Å
154	F	98.9	Very high	98.4	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.051	C	C	.	.	I	π-helix	trans	-60.3	-44	-172.3	-70.6	-61.3	0	0	0	112	F145 M149 G150 F157 L158 L193 T313 L316 L317	F145-F154 HydrophobicContact CB-CD2 3.97Å; F145-F154 HydrophobicContact CB-CE2 4.33Å; F145-F154 AromaticContact CD1-CD2 3.67Å; F145-F154 HydrophobicContact CD1-CD2 3.67Å; F145-F154 AromaticContact CD1-CE2 3.67Å; F145-F154 HydrophobicContact CD1-CE2 3.67Å; F145-F154 HydrophobicContact CD1-CG 4.15Å; F145-F154 HydrophobicContact CD1-CZ 4.15Å; F145-F154 HydrophobicContact CE1-CD2 4.39Å; F145-F154 HydrophobicContact CE1-CE2 4.4Å; F145-F154 HydrophobicContact CE1-CG 4.46Å; F145-F154 HydrophobicContact CE1-CZ 4.48Å; F145-F154 AromaticContact CG-CD2 3.82Å; F145-F154 HydrophobicContact CG-CD2 3.82Å; F145-F154 HydrophobicContact CG-CE2 4.22Å; F145-F154 HydrophobicContact CG-CG 4.32Å; M149-F154 HydrophobicContact CB-CD2 4.05Å; M149-F154 HydrophobicContact CB-CE2 3.86Å; M149-F154 HydrophobicContact CE-CE2 4.28Å; M149-F154 PolarHBondContact O-N 3.48Å; G150-F154 PolarHBondContact O-N 3.32Å; F154-F157 PolarHBondContact O-N 2.89Å; F154-L158 PolarHBondContact O-N 2.79Å; F154-L193 HydrophobicContact CE1-CD1 4.37Å; F154-L193 HydrophobicContact CZ-CB 4.18Å; F154-T313 HydrophobicContact CD1-CG2 4.11Å; F154-T313 HydrophobicContact CE1-CG2 4.31Å; F154-L316 HydrophobicContact CE1-CB 4.48Å; F154-L316 HydrophobicContact CE1-CD1 3.92Å; F154-L316 HydrophobicContact CZ-CD1 3.94Å; F154-L317 HydrophobicContact CB-CD2 4.18Å; F154-L317 HydrophobicContact CD1-CD2 4.49Å; F154-L317 HydrophobicContact CD1-CG 4.43Å
155	G	98.9	Very high	98.3	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.01	5%	0.052	C	C	.	.	H	α-helix	trans	-61.5	-55.6	176.2	0	0	0	0	0	112.9	G150 Y153 F157 L158 L159	G150-G155 PolarHBondContact O-N 3.45Å; Y153-G155 VanDerWaalsContact C-N 3.34Å; Y153-G155 PolarHBondContact O-N 3.33Å; G155-F157 VanDerWaalsContact C-N 3.28Å; G155-F157 PolarHBondContact O-N 2.84Å; G155-L158 PolarHBondContact O-N 3.28Å; G155-L159 WeakPolarHBondContact O-CB 3.42Å; G155-L159 PolarHBondContact O-N 3.43Å
156	P	98.9	Very high	98.3	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.013	5%	0.051	C	C	.	.	H	α-helix	trans	-57.4	-34.3	174.1	-30.7	37.2	0	0	0	115	L104 N129 V151 Y153 T160	L104-P156 HydrophobicContact CD1-CG 4.09Å; L104-P156 HydrophobicContact CD2-CG 4.42Å; N129-P156 HydrophobicContact CB-CB 4.16Å; V151-P156 WeakPolarHBondContact O-CD 3.42Å; V151-P156 WeakPolarHBondContact O-CG 3.02Å; Y153-P156 WeakPolarHBondContact O-CD 3.38Å; P156-T160 VanDerWaalsContact O-CB 3.3Å; P156-T160 WeakPolarHBondContact O-CB 3.39Å; P156-T160 PolarHBondContact O-N 3.46Å; P156-T160 PolarHBondContact O-OG1 3.27Å
157	F	98.9	Very high	98.3	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-62.8	-54.4	173.8	-174.3	-80.2	0	0	0	110.3	Y153 F154 G155 L159 T160 E161 H216 W310 T313 L317 I319	Y153-F157 HydrophobicContact CE2-CB 4.13Å; Y153-F157 AromaticContact CE2-CD2 3.86Å; Y153-F157 HydrophobicContact CE2-CD2 3.86Å; Y153-F157 HydrophobicContact CE2-CG 4.4Å; Y153-F157 AromaticContact CZ-CD2 3.92Å; Y153-F157 WeakPolarHBondContact O-CB 3.31Å; Y153-F157 PolarHBondContact O-N 3.23Å; Y153-F157 WeakPolarHBondContact OH-CD2 3.49Å; F154-F157 PolarHBondContact O-N 2.89Å; G155-F157 VanDerWaalsContact C-N 3.28Å; G155-F157 PolarHBondContact O-N 2.84Å; F157-L159 VanDerWaalsContact C-N 3.33Å; F157-L159 PolarHBondContact O-N 3.35Å; F157-T160 WeakPolarHBondContact O-CB 3.32Å; F157-T160 PolarHBondContact O-N 2.86Å; F157-T160 VanDerWaalsContact O-N 3.16Å; F157-E161 HydrophobicContact CD1-CG 3.98Å; F157-E161 HydrophobicContact CE1-CG 3.71Å; F157-E161 HydrophobicContact CZ-CG 4.35Å; F157-E161 WeakPolarHBondContact O-CG 3.42Å; F157-E161 PolarHBondContact O-N 3.34Å; F157-H216 AromaticContact CD2-CD2 3.36Å; F157-H216 WeakPolarHBondContact CD2-CD2 3.38Å; F157-H216 AromaticContact CD2-CG 3.96Å; F157-H216 AromaticContact CD2-NE2 3.46Å; F157-H216 WeakPolarHBondContact CD2-NE2 3.23Å; F157-H216 AromaticContact CE2-CD2 3.56Å; F157-H216 AromaticContact CE2-NE2 3.83Å; F157-W310 HydrophobicContact CE2-CD2 4.11Å; F157-W310 AromaticContact CE2-CE3 3.68Å; F157-W310 HydrophobicContact CE2-CE3 3.68Å; F157-W310 AromaticContact CE2-CH2 4Å; F157-W310 HydrophobicContact CE2-CH2 4Å; F157-W310 HydrophobicContact CE2-CZ2 4.42Å; F157-W310 AromaticContact CE2-CZ3 3.62Å; F157-W310 HydrophobicContact CE2-CZ3 3.62Å; F157-W310 AromaticContact CZ-CD2 3.98Å; F157-W310 HydrophobicContact CZ-CD2 3.98Å; F157-W310 AromaticContact CZ-CE2 3.93Å; F157-W310 AromaticContact CZ-CE3 3.99Å; F157-W310 HydrophobicContact CZ-CE3 3.99Å; F157-W310 AromaticContact CZ-CH2 3.88Å; F157-W310 HydrophobicContact CZ-CH2 3.88Å; F157-W310 AromaticContact CZ-CZ2 3.9Å; F157-W310 HydrophobicContact CZ-CZ2 3.9Å; F157-W310 AromaticContact CZ-CZ3 3.95Å; F157-W310 HydrophobicContact CZ-CZ3 3.95Å; F157-T313 HydrophobicContact CB-CG2 4.31Å; F157-T313 HydrophobicContact CD1-CG2 3.56Å; F157-T313 HydrophobicContact CD2-CG2 3.81Å; F157-T313 HydrophobicContact CE1-CG2 3.7Å; F157-T313 HydrophobicContact CE2-CG2 3.94Å; F157-T313 HydrophobicContact CG-CG2 3.62Å; F157-T313 HydrophobicContact CZ-CG2 3.88Å; F157-L317 HydrophobicContact CB-CD1 4.33Å; F157-L317 HydrophobicContact CD1-CD1 3.44Å; F157-L317 VanDerWaalsContact CD1-CD1 3.44Å; F157-L317 HydrophobicContact CE1-CD1 4.14Å; F157-L317 HydrophobicContact CG-CD1 4.22Å; F157-I319 HydrophobicContact CD1-CD1 4.29Å; F157-I319 HydrophobicContact CE1-CD1 3.99Å
158	L	98.9	Very high	98.3	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-58.3	-45.7	177.7	179.1	61.6	0	0	0	111.6	L107 I110 R111 F154 G155 T160 E161 L162 L317 I319	L107-L158 HydrophobicContact CB-CD2 3.95Å; L107-L158 HydrophobicContact CD1-CD2 4.48Å; L107-L158 HydrophobicContact CD2-CD2 3.69Å; L107-L158 HydrophobicContact CG-CD2 4.22Å; I110-L158 HydrophobicContact CB-CD2 4.19Å; I110-L158 HydrophobicContact CD1-CD2 4.45Å; I110-L158 HydrophobicContact CG2-CB 4.22Å; I110-L158 HydrophobicContact CG2-CD2 3.91Å; I110-L158 HydrophobicContact CG2-CG 3.84Å; R111-L158 HydrophobicContact CG-CD2 4.42Å; F154-L158 PolarHBondContact O-N 2.79Å; G155-L158 PolarHBondContact O-N 3.28Å; L158-T160 VanDerWaalsContact C-N 3.28Å; L158-T160 PolarHBondContact O-N 3.46Å; L158-E161 PolarHBondContact O-N 3.36Å; L158-L162 HydrophobicContact CD1-CD1 3.93Å; L158-L162 HydrophobicContact CD1-CD2 4.4Å; L158-L162 HydrophobicContact CD1-CG 3.94Å; L158-L162 HydrophobicContact CD2-CD1 4.42Å; L158-L162 HydrophobicContact CG-CD1 3.82Å; L158-L162 HydrophobicContact CG-CG 4.26Å; L158-L162 VanDerWaalsContact O-CG 3.26Å; L158-L162 WeakPolarHBondContact O-CG 3.29Å; L158-L162 PolarHBondContact O-N 3.14Å; L158-L317 HydrophobicContact CB-CD1 4.14Å; L158-I319 HydrophobicContact CD1-CD1 4.02Å; L158-I319 HydrophobicContact CD1-CG2 3.86Å
159	L	98.9	Very high	98.3	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-57	-45.1	177.8	178.4	65.1	0	0	0	111.4	T26 L102 L104 I110 F113 L127 G155 F157 L162 L163	T26-L159 HydrophobicContact CG2-CD2 3.84Å; L102-L159 HydrophobicContact CD2-CD2 3.87Å; L104-L159 HydrophobicContact CD2-CD2 4.44Å; I110-L159 HydrophobicContact CG2-CB 3.93Å; I110-L159 HydrophobicContact CG2-CD1 4.3Å; F113-L159 HydrophobicContact CD1-CD1 3.57Å; F113-L159 HydrophobicContact CE1-CD1 3.73Å; L127-L159 HydrophobicContact CD1-CD2 4.18Å; G155-L159 WeakPolarHBondContact O-CB 3.42Å; G155-L159 PolarHBondContact O-N 3.43Å; F157-L159 VanDerWaalsContact C-N 3.33Å; F157-L159 PolarHBondContact O-N 3.35Å; L159-L162 PolarHBondContact O-N 2.93Å; L159-L163 HydrophobicContact CD1-CD1 3.67Å; L159-L163 HydrophobicContact CD1-CG 4.19Å; L159-L163 HydrophobicContact CG-CD1 3.97Å; L159-L163 WeakPolarHBondContact O-CB 3.32Å; L159-L163 VanDerWaalsContact O-CG 3.29Å; L159-L163 WeakPolarHBondContact O-CG 3.37Å; L159-L163 PolarHBondContact O-N 2.92Å; L159-L163 VanDerWaalsContact O-N 3.15Å
160	T	98.8	Very high	98.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.4	-52.2	178.7	-60.5	0	0	0	0	110.4	L127 N129 P156 F157 L158 L162 L163 L164 I175 L220	L127-T160 HydrophobicContact CD2-CG2 4.32Å; N129-T160 PolarHBondContact ND2-OG1 3.04Å; N129-T160 VanDerWaalsContact ND2-OG1 3.11Å; P156-T160 VanDerWaalsContact O-CB 3.3Å; P156-T160 WeakPolarHBondContact O-CB 3.39Å; P156-T160 PolarHBondContact O-N 3.46Å; P156-T160 PolarHBondContact O-OG1 3.27Å; F157-T160 WeakPolarHBondContact O-CB 3.32Å; F157-T160 PolarHBondContact O-N 2.86Å; F157-T160 VanDerWaalsContact O-N 3.16Å; L158-T160 VanDerWaalsContact C-N 3.28Å; L158-T160 PolarHBondContact O-N 3.46Å; T160-L162 VanDerWaalsContact C-N 3.33Å; T160-L162 PolarHBondContact O-N 2.72Å; T160-L163 PolarHBondContact O-N 3.46Å; T160-L163 VanDerWaalsContact O-N 3.12Å; T160-L164 HydrophobicContact CG2-CD2 4.49Å; T160-L164 WeakPolarHBondContact O-CG 3.29Å; T160-L164 PolarHBondContact O-N 3.2Å; T160-I175 HydrophobicContact CG2-CD1 3.78Å; T160-I175 HydrophobicContact CG2-CG1 4.5Å; T160-I175 HydrophobicContact CG2-CG2 4.03Å; T160-L220 HydrophobicContact CG2-CD2 3.6Å
161	E	98.1	Very high	97.7	Very high	11 Å²	11	19 Å²	19	5%	0.051	11%	0.111	C	C	.	.	H	α-helix	trans	-56.4	-44.9	179.4	-71.3	-61	118.3	0	0	112.4	F157 L158 L163 L164 W310 I319 Y323	F157-E161 HydrophobicContact CD1-CG 3.98Å; F157-E161 HydrophobicContact CE1-CG 3.71Å; F157-E161 HydrophobicContact CZ-CG 4.35Å; F157-E161 WeakPolarHBondContact O-CG 3.42Å; F157-E161 PolarHBondContact O-N 3.34Å; L158-E161 PolarHBondContact O-N 3.36Å; E161-L163 VanDerWaalsContact C-N 3.28Å; E161-L163 PolarHBondContact O-N 3.2Å; E161-L164 PolarHBondContact O-N 2.88Å; E161-W310 VanDerWaalsContact OE1-CH2 3.26Å; E161-W310 WeakPolarHBondContact OE1-CH2 3.46Å; E161-I319 HydrophobicContact CB-CD1 4.18Å; E161-I319 HydrophobicContact CG-CD1 4.02Å; E161-Y323 WeakPolarHBondContact OE2-CE2 3.4Å; E161-Y323 VanDerWaalsContact OE2-CZ 3.25Å; E161-Y323 PolarHBondContact OE2-OH 2.81Å
162	L	98.3	Very high	97.5	Very high	35 Å²	35	22.9 Å²	22.9	18%	0.183	14%	0.139	C	C	.	.	H	α-helix	trans	-68	-25.9	-179.8	-66.8	174.4	0	0	0	113.7	I110 R111 A114 L158 L159 T160	I110-L162 HydrophobicContact CG2-CD1 4.04Å; R111-L162 HydrophobicContact CB-CD1 4.41Å; R111-L162 HydrophobicContact CG-CD1 3.81Å; A114-L162 HydrophobicContact CB-CB 3.66Å; A114-L162 HydrophobicContact CB-CD1 3.9Å; A114-L162 HydrophobicContact CB-CG 4.42Å; L158-L162 HydrophobicContact CD1-CD1 3.93Å; L158-L162 HydrophobicContact CD1-CD2 4.4Å; L158-L162 HydrophobicContact CD1-CG 3.94Å; L158-L162 HydrophobicContact CD2-CD1 4.42Å; L158-L162 HydrophobicContact CG-CD1 3.82Å; L158-L162 HydrophobicContact CG-CG 4.26Å; L158-L162 VanDerWaalsContact O-CG 3.26Å; L158-L162 WeakPolarHBondContact O-CG 3.29Å; L158-L162 PolarHBondContact O-N 3.14Å; L159-L162 PolarHBondContact O-N 2.93Å; T160-L162 VanDerWaalsContact C-N 3.33Å; T160-L162 PolarHBondContact O-N 2.72Å
163	L	98.5	Very high	97.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-96.9	-3.9	-179.5	-65.7	178.8	0	0	0	113.6	I24 F113 A114 I117 L127 L159 T160 E161 P165 L166 L167	I24-L163 HydrophobicContact CD1-CD1 3.56Å; F113-L163 HydrophobicContact CE1-CD1 4.41Å; A114-L163 HydrophobicContact CB-CD2 4.15Å; I117-L163 HydrophobicContact CB-CD2 4.22Å; I117-L163 HydrophobicContact CG2-CD2 4.09Å; L127-L163 HydrophobicContact CD1-CD1 4.29Å; L127-L163 HydrophobicContact CD2-CD1 4.4Å; L159-L163 HydrophobicContact CD1-CD1 3.67Å; L159-L163 HydrophobicContact CD1-CG 4.19Å; L159-L163 HydrophobicContact CG-CD1 3.97Å; L159-L163 WeakPolarHBondContact O-CB 3.32Å; L159-L163 VanDerWaalsContact O-CG 3.29Å; L159-L163 WeakPolarHBondContact O-CG 3.37Å; L159-L163 PolarHBondContact O-N 2.92Å; L159-L163 VanDerWaalsContact O-N 3.15Å; T160-L163 PolarHBondContact O-N 3.46Å; T160-L163 VanDerWaalsContact O-N 3.12Å; E161-L163 VanDerWaalsContact C-N 3.28Å; E161-L163 PolarHBondContact O-N 3.2Å; L163-P165 VanDerWaalsContact C-CD 3.41Å; L163-P165 VanDerWaalsContact C-N 3.31Å; L163-L166 HydrophobicContact CD2-CD1 4.17Å; L163-L166 PolarHBondContact O-N 2.98Å; L163-L167 HydrophobicContact CB-CD1 4.22Å; L163-L167 PolarHBondContact O-N 3.27Å
164	L	97.2	Very high	97.5	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-51.7	-40	179.6	-78.7	179	0	0	0	114.2	T160 E161 L166 L167 K168 I175 L224 Y323	T160-L164 HydrophobicContact CG2-CD2 4.49Å; T160-L164 WeakPolarHBondContact O-CG 3.29Å; T160-L164 PolarHBondContact O-N 3.2Å; E161-L164 PolarHBondContact O-N 2.88Å; L164-L166 VanDerWaalsContact C-N 3.31Å; L164-L166 PolarHBondContact O-N 3.3Å; L164-L167 HydrophobicContact CD2-CD1 4.27Å; L164-L167 PolarHBondContact O-N 2.93Å; L164-K168 WeakPolarHBondContact O-CB 3.36Å; L164-K168 WeakPolarHBondContact O-CG 3.4Å; L164-K168 PolarHBondContact O-N 3.2Å; L164-I175 HydrophobicContact CD2-CD1 4.14Å; L164-L224 HydrophobicContact CD1-CD2 4.36Å; L164-L224 HydrophobicContact CD2-CD1 3.66Å; L164-L224 HydrophobicContact CD2-CD2 4.02Å; L164-L224 HydrophobicContact CD2-CG 4.45Å; L164-Y323 HydrophobicContact CD1-CE1 4.33Å; L164-Y323 HydrophobicContact CD1-CE2 3.71Å; L164-Y323 WeakPolarHBondContact CD1-OH 3.42Å
165	P	95.9	Very high	97.5	Very high	73 Å²	73	24.1 Å²	24.1	47%	0.474	14%	0.144	S	C	.	.	H	α-helix	trans	-56.9	-42.8	175.7	-27	36.3	0	0	0	113.1	L163 K168 N169	L163-P165 VanDerWaalsContact C-CD 3.41Å; L163-P165 VanDerWaalsContact C-N 3.31Å; P165-K168 PolarHBondContact O-N 2.92Å; P165-N169 PolarHBondContact O-N 3.15Å; P165-N169 VanDerWaalsContact O-N 3.1Å; P165-N169 PolarHBondContact O-OD1 2.83Å
166	L	98.5	Very high	97.5	Very high	11 Å²	11	24.1 Å²	24.1	6%	0.058	14%	0.143	C	C	.	.	H	α-helix	trans	-72.3	-35.7	179	-55.4	-174.2	0	0	0	112.1	I117 K118 Y121 K123 I124 L163 L164 N169 A170	I117-L166 HydrophobicContact CG2-CD1 3.71Å; K118-L166 HydrophobicContact CG-CD1 3.93Å; K118-L166 HydrophobicContact CG-CD2 4.35Å; K118-L166 HydrophobicContact CG-CG 4.11Å; Y121-L166 VanDerWaalsContact O-CD2 3.3Å; Y121-L166 WeakPolarHBondContact O-CD2 3.47Å; K123-L166 WeakPolarHBondContact CA-O 3.38Å; I124-L166 HydrophobicContact CB-CB 4.27Å; I124-L166 HydrophobicContact CG1-CB 3.93Å; I124-L166 HydrophobicContact CG1-CD1 3.94Å; I124-L166 PolarHBondContact N-O 3.07Å; L163-L166 HydrophobicContact CD2-CD1 4.17Å; L163-L166 PolarHBondContact O-N 2.98Å; L164-L166 VanDerWaalsContact C-N 3.31Å; L164-L166 PolarHBondContact O-N 3.3Å; L166-N169 PolarHBondContact O-N 2.85Å; L166-A170 PolarHBondContact O-N 3.17Å
167	L	98.5	Very high	97.5	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.9	-42.1	175.5	-71.7	156.9	0	0	0	110.8	I124 L127 L163 L164 A170 S173 I175 V229	I124-L167 HydrophobicContact CB-CD2 4.38Å; I124-L167 HydrophobicContact CG2-CD2 4.08Å; I124-L167 WeakPolarHBondContact O-CD2 3.2Å; L127-L167 HydrophobicContact CB-CD1 4.47Å; L127-L167 HydrophobicContact CB-CD2 4.06Å; L127-L167 HydrophobicContact CD2-CD1 4.2Å; L163-L167 HydrophobicContact CB-CD1 4.22Å; L163-L167 PolarHBondContact O-N 3.27Å; L164-L167 HydrophobicContact CD2-CD1 4.27Å; L164-L167 PolarHBondContact O-N 2.93Å; L167-A170 PolarHBondContact O-N 3.43Å; L167-S173 VanDerWaalsContact O-CB 3.28Å; L167-S173 WeakPolarHBondContact O-CB 3.07Å; L167-S173 PolarHBondContact O-OG 3.04Å; L167-I175 HydrophobicContact CD1-CD1 3.88Å; L167-I175 HydrophobicContact CD1-CG1 3.88Å; L167-I175 HydrophobicContact CD2-CG1 4.13Å; L167-V229 HydrophobicContact CB-CG1 4.31Å; L167-V229 HydrophobicContact CB-CG2 4.42Å
168	K	97	Very high	97.5	Very high	71 Å²	71	24.4 Å²	24.4	31%	0.309	15%	0.145	S	C	.	.	H	α-helix	trans	-64.2	-39.7	175.5	-71.7	179.3	179.2	-171.5	0	112	L164 P165 A170 A171 C227 V229	L164-K168 WeakPolarHBondContact O-CB 3.36Å; L164-K168 WeakPolarHBondContact O-CG 3.4Å; L164-K168 PolarHBondContact O-N 3.2Å; P165-K168 PolarHBondContact O-N 2.92Å; K168-A170 PolarHBondContact O-N 2.96Å; K168-A171 WeakPolarHBondContact O-CB 3.39Å; K168-A171 PolarHBondContact O-N 3.2Å; K168-C227 HydrophobicContact CG-CB 4.34Å; K168-V229 HydrophobicContact CB-CG2 4.48Å; K168-V229 HydrophobicContact CG-CG2 3.88Å
169	N	97.5	Very high	97.4	Very high	111 Å²	111	24.5 Å²	24.5	59%	0.594	15%	0.146	S	C	*	.	H	α-helix	trans	-63.5	-21.1	175.6	-70.3	-9.6	0	0	0	113.8	N122 K123 P165 L166	N122-N169 WeakPolarHBondContact O-CB 2.87Å; N122-N169 PolarHBondContact O-ND2 2.98Å; K123-N169 HydrophobicContact CB-CB 4.2Å; P165-N169 PolarHBondContact O-N 3.15Å; P165-N169 VanDerWaalsContact O-N 3.1Å; P165-N169 PolarHBondContact O-OD1 2.83Å; L166-N169 PolarHBondContact O-N 2.85Å
170	A	96.1	Very high	97.1	Very high	5 Å²	5	25.3 Å²	25.3	4%	0.041	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	9.4	179.4	0	0	0	0	0	114.1	K123 I124 D125 L166 L167 K168 S172	K123-A170 HydrophobicContact CB-CB 3.94Å; K123-A170 HydrophobicContact CG-CB 4.44Å; I124-A170 VanDerWaalsContact C-CB 3.46Å; I124-A170 WeakPolarHBondContact O-CB 3.43Å; D125-A170 HydrophobicContact CB-CB 4.47Å; L166-A170 PolarHBondContact O-N 3.17Å; L167-A170 PolarHBondContact O-N 3.43Å; K168-A170 PolarHBondContact O-N 2.96Å; A170-S172 CarbonylContact O-C 3.59Å; A170-S172 PolarHBondContact O-N 2.8Å
171	A	88.3	Confident	96.8	Very high	59 Å²	59	30.2 Å²	30.2	49%	0.488	18%	0.176	S	C	.	.	S	Bend	trans	-47.7	125.3	-177.3	0	0	0	0	0	111.7	K168	K168-A171 WeakPolarHBondContact O-CB 3.39Å; K168-A171 PolarHBondContact O-N 3.2Å
172	S	94.2	Very high	96.5	Very high	97 Å²	97	31.6 Å²	31.6	68%	0.678	18%	0.183	S	C	*	.	S	Bend	cis	-83	110.8	5.2	-48.3	0	0	0	0	114.4	A170 G228	A170-S172 CarbonylContact O-C 3.59Å; A170-S172 PolarHBondContact O-N 2.8Å; S172-G228 VanDerWaalsContact CA-O 3.28Å; S172-G228 WeakPolarHBondContact CA-O 3.19Å
173	S	98.4	Very high	96.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	165.6	179	69.2	0	0	0	0	112.3	D125 L167 G228 V229 V230	D125-S173 CarbonylContact O-C 3.6Å; D125-S173 VanDerWaalsContact O-CA 3.26Å; D125-S173 WeakPolarHBondContact O-CA 3.35Å; D125-S173 WeakPolarHBondContact O-CB 3.32Å; L167-S173 VanDerWaalsContact O-CB 3.28Å; L167-S173 WeakPolarHBondContact O-CB 3.07Å; L167-S173 PolarHBondContact O-OG 3.04Å; S173-G228 PolarHBondContact N-O 3.34Å; S173-V229 WeakPolarHBondContact OG-CG2 3.35Å; S173-V230 PolarHBondContact O-N 2.73Å
174	R	98.7	Very high	96.2	Very high	29 Å²	29	34.9 Å²	34.9	11%	0.109	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	139.3	-172.9	-51.4	178.6	-172.5	-157.9	-1.5	113.2	D125 F126 L127 I176 V230 T276 A277 T279 L282	D125-R174 PolarHBondContact O-N 2.95Å; F126-R174 CarbonylContact C-O 3.55Å; F126-R174 WeakPolarHBondContact CA-O 3.47Å; F126-R174 HydrophobicContact CD1-CB 4.04Å; F126-R174 HydrophobicContact CD1-CG 4.28Å; F126-R174 HydrophobicContact CE1-CB 4.49Å; F126-R174 HydrophobicContact CE1-CG 4.24Å; L127-R174 PolarHBondContact N-O 2.77Å; R174-I176 HydrophobicContact CB-CD1 4.45Å; R174-V230 CarbonylContact C-O 3.54Å; R174-V230 VanDerWaalsContact CA-O 3.3Å; R174-V230 WeakPolarHBondContact CA-O 3.18Å; R174-T276 WeakPolarHBondContact CD-O 3.38Å; R174-T276 PolarHBondContact NH1-O 3.49Å; R174-A277 VanDerWaalsContact CZ-O 3.26Å; R174-A277 PolarHBondContact NH1-O 2.9Å; R174-T279 PolarHBondContact NH1-O 3.42Å; R174-T279 PolarHBondContact NH2-O 2.91Å; R174-L282 HydrophobicContact CG-CD2 4.2Å
175	I	98.9	Very high	96.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.8	173.8	-55.4	163.4	0	0	0	107.2	L127 T160 L164 L167 L220 L224 V229 V230 A231 V232	L127-I175 HydrophobicContact CD2-CG2 4.42Å; L127-I175 WeakPolarHBondContact O-CA 3.26Å; T160-I175 HydrophobicContact CG2-CD1 3.78Å; T160-I175 HydrophobicContact CG2-CG1 4.5Å; T160-I175 HydrophobicContact CG2-CG2 4.03Å; L164-I175 HydrophobicContact CD2-CD1 4.14Å; L167-I175 HydrophobicContact CD1-CD1 3.88Å; L167-I175 HydrophobicContact CD1-CG1 3.88Å; L167-I175 HydrophobicContact CD2-CG1 4.13Å; I175-L220 HydrophobicContact CD1-CD2 3.56Å; I175-L220 HydrophobicContact CD1-CG 4.45Å; I175-L220 HydrophobicContact CG2-CD2 4.28Å; I175-L224 HydrophobicContact CD1-CD1 4.04Å; I175-V229 HydrophobicContact CD1-CG1 3.63Å; I175-V229 HydrophobicContact CG1-CG1 4.04Å; I175-V230 PolarHBondContact N-O 2.98Å; I175-A231 HydrophobicContact CB-CB 4.07Å; I175-A231 CarbonylContact O-C 3.6Å; I175-A231 VanDerWaalsContact O-CA 3.31Å; I175-A231 WeakPolarHBondContact O-CA 3.39Å; I175-V232 PolarHBondContact O-N 2.82Å
176	I	98.9	Very high	96.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	110.1	-173	-64	162.8	0	0	0	109	L127 I128 N129 R174 V232 L234 T273 A277	L127-I176 PolarHBondContact O-N 2.98Å; I128-I176 HydrophobicContact CD1-CB 3.84Å; I128-I176 HydrophobicContact CD1-CD1 3.46Å; I128-I176 VanDerWaalsContact CD1-CD1 3.46Å; I128-I176 HydrophobicContact CD1-CG1 4.1Å; N129-I176 PolarHBondContact N-O 3.4Å; R174-I176 HydrophobicContact CB-CD1 4.45Å; I176-V232 HydrophobicContact CB-CG2 4.48Å; I176-V232 HydrophobicContact CG1-CG2 3.81Å; I176-L234 HydrophobicContact CG2-CD2 3.51Å; I176-L234 HydrophobicContact CG2-CG 4.47Å; I176-T273 HydrophobicContact CG2-CG2 4.09Å; I176-A277 HydrophobicContact CD1-CB 3.82Å
177	N	98.9	Very high	96	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	118.8	178.4	-62.8	-22.1	0	0	0	110.9	N129 S179 N213 H216 V232 S233 L234	N129-N177 WeakPolarHBondContact CB-OD1 3.36Å; N129-N177 PolarHBondContact ND2-OD1 3.48Å; N177-S179 PolarHBondContact O-N 3.16Å; N177-S179 VanDerWaalsContact O-N 3.14Å; N177-N213 HydrophobicContact CB-CB 4.07Å; N177-N213 PolarHBondContact ND2-O 3.44Å; N177-H216 PolarHBondContact ND2-ND1 3.34Å; N177-V232 PolarHBondContact N-O 3.37Å; N177-S233 VanDerWaalsContact O-CA 3.24Å; N177-S233 WeakPolarHBondContact O-CA 3.12Å; N177-L234 PolarHBondContact O-N 3.07Å; N177-L234 VanDerWaalsContact O-N 3.08Å
178	V	98.4	Very high	96	Very high	7 Å²	7	44.9 Å²	44.9	4%	0.042	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	99.9	177.7	-177.8	0	0	0	0	110.3	N129 N130 K210 N213 L234 P236	N129-V178 PolarHBondContact O-N 2.96Å; N130-V178 HydrophobicContact CB-CG2 3.95Å; V178-K210 PolarHBondContact O-NZ 2.89Å; V178-N213 PolarHBondContact O-OD1 3.07Å; V178-L234 HydrophobicContact CG1-CD1 4.38Å; V178-L234 HydrophobicContact CG2-CD1 4.47Å; V178-P236 HydrophobicContact CG1-CG 4.07Å
179	S	97.7	Very high	95.9	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.014	22%	0.22	C	C	.	.			trans	-91.6	-152.7	174	-173	0	0	0	0	111.1	N177 K210 V214 L234 P236	N177-S179 PolarHBondContact O-N 3.16Å; N177-S179 VanDerWaalsContact O-N 3.14Å; S179-K210 PolarHBondContact OG-O 3.3Å; S179-V214 WeakPolarHBondContact OG-CG2 3.38Å; S179-L234 CarbonylContact C-O 3.18Å; S179-L234 WeakPolarHBondContact CA-O 3.05Å; S179-L234 WeakPolarHBondContact CB-O 2.94Å; S179-L234 PolarHBondContact N-O 3.3Å; S179-P236 WeakPolarHBondContact O-CD 3.26Å
180	S	92.3	Very high	95.8	Very high	18 Å²	18	43.8 Å²	43.8	13%	0.126	22%	0.218	C	C	.	.			trans	-161.4	158	178.2	173.5	0	0	0	0	110.6	I182 H183 H235	S180-I182 PolarHBondContact O-N 3.22Å; S180-I182 VanDerWaalsContact O-N 3.12Å; S180-I182 PolarHBondContact OG-N 3.08Å; S180-H183 VanDerWaalsContact O-CB 3.23Å; S180-H183 WeakPolarHBondContact O-CB 3.45Å; S180-H183 PolarHBondContact O-N 3.45Å; S180-H183 PolarHBondContact O-ND1 3.15Å; S180-H235 WeakPolarHBondContact CA-ND1 3.35Å
181	M	92	Very high	95.8	Very high	103 Å²	103	47.2 Å²	47.2	51%	0.507	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-54.6	-28.1	169	-82.4	175.1	70.9	0	0	112.9	H183 E184 H235	M181-H183 PolarHBondContact O-N 3.3Å; M181-H183 VanDerWaalsContact O-N 3.1Å; M181-E184 PolarHBondContact O-N 2.91Å; M181-H235 HydrophobicContact CG-CB 4.33Å; M181-H235 WeakPolarHBondContact CG-CD2 3.28Å; M181-H235 PolarHBondContact N-ND1 2.82Å; M181-H235 VanDerWaalsContact SD-CD2 3.59Å
182	I	92.5	Very high	96.1	Very high	39 Å²	39	47.8 Å²	47.8	20%	0.2	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-65.6	-13.5	178.3	-153.6	74.8	0	0	0	113.2	S180 E184 R185 L203 Y206 S207 K210	S180-I182 PolarHBondContact O-N 3.22Å; S180-I182 VanDerWaalsContact O-N 3.12Å; S180-I182 PolarHBondContact OG-N 3.08Å; I182-E184 PolarHBondContact O-N 2.85Å; I182-E184 VanDerWaalsContact O-N 3.09Å; I182-R185 HydrophobicContact CD1-CG 4.24Å; I182-R185 PolarHBondContact O-N 3.03Å; I182-L203 HydrophobicContact CD1-CD1 4.28Å; I182-L203 HydrophobicContact CG1-CD1 4.1Å; I182-Y206 HydrophobicContact CG2-CD1 3.77Å; I182-Y206 HydrophobicContact CG2-CE1 3.71Å; I182-S207 WeakPolarHBondContact CG1-OG 3.2Å; I182-S207 WeakPolarHBondContact O-CB 3.36Å; I182-K210 HydrophobicContact CG2-CB 4.44Å; I182-K210 HydrophobicContact CG2-CG 4.38Å
183	H	96.4	Very high	96.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-56.1	-26.1	172.9	87.5	-80.8	0	0	0	112.8	S180 M181 R185 G186 K210 L211 V214 Y287 S297	S180-H183 VanDerWaalsContact O-CB 3.23Å; S180-H183 WeakPolarHBondContact O-CB 3.45Å; S180-H183 PolarHBondContact O-N 3.45Å; S180-H183 PolarHBondContact O-ND1 3.15Å; M181-H183 PolarHBondContact O-N 3.3Å; M181-H183 VanDerWaalsContact O-N 3.1Å; H183-R185 PolarHBondContact O-N 3.37Å; H183-G186 PolarHBondContact O-N 3Å; H183-K210 VanDerWaalsContact CB-C 3.49Å; H183-K210 HydrophobicContact CB-CB 3.97Å; H183-L211 HydrophobicContact CB-CB 4.35Å; H183-V214 HydrophobicContact CB-CG2 4.37Å; H183-Y287 AromaticContact CE1-CE1 3.59Å; H183-Y287 AromaticContact CE1-CE2 3.88Å; H183-Y287 AromaticContact CE1-CZ 3.34Å; H183-Y287 PolarHBondContact CE1-OH 2.84Å; H183-Y287 AromaticContact ND1-CZ 3.68Å; H183-Y287 PolarHBondContact ND1-OH 2.88Å; H183-S297 PolarHBondContact NE2-N 3.4Å
184	E	94.7	Very high	96.2	Very high	105 Å²	105	44.7 Å²	44.7	49%	0.491	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-64.3	-26	175.6	-65.2	-176.9	-160.4	0	0	112.8	M181 I182	M181-E184 PolarHBondContact O-N 2.91Å; I182-E184 PolarHBondContact O-N 2.85Å; I182-E184 VanDerWaalsContact O-N 3.09Å
185	R	94.2	Very high	96.2	Very high	162 Å²	162	44.9 Å²	44.9	61%	0.611	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-87.2	-12.9	174.4	-57.3	-172.9	106.1	-176.3	5.3	112.9	I182 H183 R187	I182-R185 HydrophobicContact CD1-CG 4.24Å; I182-R185 PolarHBondContact O-N 3.03Å; H183-R185 PolarHBondContact O-N 3.37Å; R185-R187 PolarHBondContact O-NH1 2.02Å
186	G	96.4	Very high	96.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.231	C	C	.	.			trans	-61.7	160.4	177.6	0	0	0	0	0	112.9	H183 S207	H183-G186 PolarHBondContact O-N 3Å; G186-S207 WeakPolarHBondContact CA-O 3.48Å
187	R	96.7	Very high	96	Very high	104 Å²	104	55.8 Å²	55.8	39%	0.392	26%	0.264	S	S	.	.			trans	-134	150.2	177.3	-64.4	-65.3	-179.3	-87.7	-5.5	109.7	R185 I189 T208 Y299	R185-R187 PolarHBondContact O-NH1 2.02Å; R187-I189 HydrophobicContact CB-CD1 3.8Å; R187-I189 PolarHBondContact O-N 3.11Å; R187-T208 PolarHBondContact N-OG1 3.39Å; R187-T208 WeakPolarHBondContact O-CG2 3.4Å; R187-T208 PolarHBondContact O-OG1 2.68Å; R187-Y299 PolarHBondContact NE-OH 3.09Å; R187-Y299 VanDerWaalsContact NH1-CE2 3.31Å
188	I	97.1	Very high	95.9	Very high	29 Å²	29	65.2 Å²	65.2	15%	0.149	31%	0.305	C	S	.	.			trans	-79.9	111.6	166.9	-65.1	174.3	0	0	0	106.7	K190 L211 I215 D305 W308 F309	I188-K190 HydrophobicContact CG2-CG 4.47Å; I188-L211 HydrophobicContact CG1-CD2 4.46Å; I188-I215 HydrophobicContact CD1-CD1 3.92Å; I188-I215 HydrophobicContact CG1-CD1 3.95Å; I188-D305 HydrophobicContact CD1-CB 3.8Å; I188-W308 HydrophobicContact CG2-CE3 4.13Å; I188-W308 HydrophobicContact CG2-CZ3 3.6Å; I188-F309 HydrophobicContact CG1-CD2 4.26Å; I188-F309 HydrophobicContact CG2-CD2 4.12Å
189	I	96.7	Very high	95.7	Very high	35 Å²	35	68.9 Å²	68.9	18%	0.179	33%	0.327	C	S	.	.			trans	-89.9	128.5	179.7	-50	-56.4	0	0	0	108.6	R187 L193 Q194 Y195 T208	R187-I189 HydrophobicContact CB-CD1 3.8Å; R187-I189 PolarHBondContact O-N 3.11Å; I189-L193 WeakPolarHBondContact O-CA 3.45Å; I189-L193 PolarHBondContact O-N 2.96Å; I189-Q194 VanDerWaalsContact CG2-O 3.3Å; I189-Q194 WeakPolarHBondContact CG2-O 3.46Å; I189-Y195 HydrophobicContact CD1-CE1 3.88Å; I189-Y195 HydrophobicContact CD1-CE2 4.12Å; I189-Y195 HydrophobicContact CG1-CD2 4.45Å; I189-Y195 HydrophobicContact CG1-CE1 4.38Å; I189-Y195 HydrophobicContact CG1-CE2 4.03Å; I189-T208 HydrophobicContact CG1-CG2 4.17Å
190	K	95.3	Very high	95.7	Very high	125 Å²	125	70.3 Å²	70.3	54%	0.543	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	147.4	178	-58.7	-160.5	174.9	-179.2	0	109.7	I188 W308	I188-K190 HydrophobicContact CG2-CG 4.47Å; K190-W308 HydrophobicContact CB-CH2 4.11Å; K190-W308 HydrophobicContact CB-CZ2 4.48Å; K190-W308 HydrophobicContact CD-CH2 3.91Å; K190-W308 HydrophobicContact CD-CZ2 3.98Å; K190-W308 HydrophobicContact CD-CZ3 4.23Å; K190-W308 HydrophobicContact CG-CH2 3.51Å; K190-W308 HydrophobicContact CG-CZ2 4.03Å; K190-W308 HydrophobicContact CG-CZ3 3.89Å
191	P	94.5	Very high	95.8	Very high	76 Å²	76	72.7 Å²	72.7	49%	0.494	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	cis	-83.6	-16.2	-1.4	30.7	-28.9	0	0	0	114	K312	P191-K312 WeakPolarHBondContact O-CE 3.09Å; P191-K312 WeakPolarHBondContact O-CG 3.49Å
192	D	94.4	Very high	95.9	Very high	71 Å²	71	68 Å²	68	38%	0.38	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	9.1	-159.6	-54.4	-48.1	0	0	0	115.8	Q194 L316	D192-Q194 HydrophobicContact CB-CG 4.37Å; D192-Q194 WeakPolarHBondContact O-CG 3.46Å; D192-Q194 PolarHBondContact O-N 3.16Å; D192-L316 WeakPolarHBondContact O-CD1 3.28Å
193	L	98	Very high	95.9	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	33%	0.327	C	S	.	.	S	Bend	trans	67	-1.3	178.9	-46.2	-177.3	0	0	0	115.8	M149 F154 I189 W308 F309 K312 T313 L316	M149-L193 WeakPolarHBondContact CE-O 3.5Å; F154-L193 HydrophobicContact CE1-CD1 4.37Å; F154-L193 HydrophobicContact CZ-CB 4.18Å; I189-L193 WeakPolarHBondContact O-CA 3.45Å; I189-L193 PolarHBondContact O-N 2.96Å; L193-W308 HydrophobicContact CD2-CE3 4.29Å; L193-W308 HydrophobicContact CD2-CH2 3.57Å; L193-W308 HydrophobicContact CD2-CZ3 3.28Å; L193-F309 HydrophobicContact CB-CE2 4.16Å; L193-F309 HydrophobicContact CD1-CD2 4.15Å; L193-F309 HydrophobicContact CD1-CE1 4.42Å; L193-F309 HydrophobicContact CD1-CE2 4Å; L193-F309 HydrophobicContact CD1-CG 4.37Å; L193-F309 HydrophobicContact CD1-CZ 4.11Å; L193-F309 HydrophobicContact CD2-CD2 3.53Å; L193-F309 HydrophobicContact CD2-CE2 3.68Å; L193-F309 HydrophobicContact CD2-CG 4.3Å; L193-F309 HydrophobicContact CG-CD2 4.37Å; L193-F309 HydrophobicContact CG-CE2 4.17Å; L193-K312 HydrophobicContact CD1-CB 4.22Å; L193-K312 HydrophobicContact CD1-CG 4.23Å; L193-K312 HydrophobicContact CD2-CB 4.44Å; L193-K312 HydrophobicContact CD2-CG 4.28Å; L193-K312 HydrophobicContact CG-CB 4.45Å; L193-K312 HydrophobicContact CG-CG 4.06Å; L193-T313 WeakPolarHBondContact CD1-OG1 3.2Å; L193-L316 HydrophobicContact CD1-CD1 4.19Å; L193-L316 HydrophobicContact CG-CD1 4.19Å
194	Q	98.2	Very high	95.9	Very high	33 Å²	33	72.2 Å²	72.2	15%	0.154	34%	0.344	C	S	.	.	S	Bend	trans	-138.7	161.9	-174.7	64.5	-165.9	-25.2	0	0	112	E146 M149 I189 D192	E146-Q194 HydrophobicContact CB-CB 4.23Å; E146-Q194 HydrophobicContact CB-CG 4.47Å; M149-Q194 HydrophobicContact CB-CB 4.11Å; M149-Q194 HydrophobicContact CG-CB 3.8Å; I189-Q194 VanDerWaalsContact CG2-O 3.3Å; I189-Q194 WeakPolarHBondContact CG2-O 3.46Å; D192-Q194 HydrophobicContact CB-CG 4.37Å; D192-Q194 WeakPolarHBondContact O-CG 3.46Å; D192-Q194 PolarHBondContact O-N 3.16Å
195	Y	97.6	Very high	96	Very high	33 Å²	33	67.2 Å²	67.2	13%	0.129	32%	0.321	C	S	.	.			trans	-81.9	146.3	175.4	-68	-85.1	0	0	0	110.8	I189 N204 A205	I189-Y195 HydrophobicContact CD1-CE1 3.88Å; I189-Y195 HydrophobicContact CD1-CE2 4.12Å; I189-Y195 HydrophobicContact CG1-CD2 4.45Å; I189-Y195 HydrophobicContact CG1-CE1 4.38Å; I189-Y195 HydrophobicContact CG1-CE2 4.03Å; Y195-N204 HydrophobicContact CE2-CB 3.86Å; Y195-A205 HydrophobicContact CD2-CB 4.14Å
196	D	96.6	Very high	96.1	Very high	82 Å²	82	61.3 Å²	61.3	44%	0.439	30%	0.299	S	S	.	.			trans	-84	172.6	169.5	68.5	21.2	0	0	0	111.5	K198 T199 Y200	D196-K198 PolarHBondContact O-N 2.86Å; D196-K198 VanDerWaalsContact O-N 3.17Å; D196-K198 PolarHBondContact OD1-N 3.33Å; D196-T199 PolarHBondContact N-OG1 3.38Å; D196-T199 PolarHBondContact O-N 3.24Å; D196-T199 WeakPolarHBondContact OD1-CB 3.49Å; D196-T199 PolarHBondContact OD1-N 3.4Å; D196-T199 PolarHBondContact OD1-OG1 3.03Å; D196-Y200 WeakPolarHBondContact O-CB 3.36Å; D196-Y200 PolarHBondContact O-N 2.99Å
197	Q	97.1	Very high	96.1	Very high	147 Å²	147	61.4 Å²	61.4	69%	0.687	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-30.4	179.7	-172.2	176.1	9.9	0	0	113.7	Y138	Y138-Q197 HydrophobicContact CD1-CB 3.69Å; Y138-Q197 HydrophobicContact CD1-CG 3.66Å; Y138-Q197 HydrophobicContact CD2-CB 4.32Å; Y138-Q197 HydrophobicContact CE1-CB 3.74Å; Y138-Q197 HydrophobicContact CE1-CG 4.16Å; Y138-Q197 HydrophobicContact CE2-CB 4.34Å; Y138-Q197 HydrophobicContact CG-CB 3.99Å; Y138-Q197 HydrophobicContact CG-CG 3.99Å
198	K	96.2	Very high	96.1	Very high	199 Å²	199	56.5 Å²	56.5	87%	0.865	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-31.9	-175.9	-66.3	-179.9	-179.7	176.6	0	112.3	D196	D196-K198 PolarHBondContact O-N 2.86Å; D196-K198 VanDerWaalsContact O-N 3.17Å; D196-K198 PolarHBondContact OD1-N 3.33Å
199	T	95.5	Very high	96.2	Very high	83 Å²	83	55.1 Å²	55.1	51%	0.509	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-0.9	-174.5	57.9	0	0	0	0	113.2	D196 D201	D196-T199 PolarHBondContact N-OG1 3.38Å; D196-T199 PolarHBondContact O-N 3.24Å; D196-T199 WeakPolarHBondContact OD1-CB 3.49Å; D196-T199 PolarHBondContact OD1-N 3.4Å; D196-T199 PolarHBondContact OD1-OG1 3.03Å; T199-D201 PolarHBondContact O-N 2.84Å
200	Y	97.3	Very high	96.3	Very high	33 Å²	33	53.8 Å²	53.8	13%	0.129	27%	0.267	C	S	.	.			trans	-59.3	129.1	-177.7	-175.1	-100.7	0	0	0	112.7	L135 Y138 E146 T148 D196 A202 A205	L135-Y200 PolarHBondContact O-OH 3.23Å; Y138-Y200 AromaticContact CD2-CD2 3.73Å; Y138-Y200 HydrophobicContact CD2-CD2 3.73Å; Y138-Y200 HydrophobicContact CD2-CE2 4.49Å; Y138-Y200 AromaticContact CD2-CG 3.78Å; Y138-Y200 HydrophobicContact CD2-CG 3.78Å; Y138-Y200 HydrophobicContact CG-CG 4.35Å; E146-Y200 HydrophobicContact CG-CD2 3.9Å; E146-Y200 HydrophobicContact CG-CE2 3.75Å; E146-Y200 VanDerWaalsContact OE1-CE2 3.22Å; E146-Y200 WeakPolarHBondContact OE1-CE2 3.37Å; T148-Y200 PolarHBondContact OG1-OH 2.92Å; D196-Y200 WeakPolarHBondContact O-CB 3.36Å; D196-Y200 PolarHBondContact O-N 2.99Å; Y200-A202 HydrophobicContact CE1-CB 4.3Å; Y200-A205 HydrophobicContact CD2-CB 4.07Å; Y200-A205 HydrophobicContact CE2-CB 3.42Å; Y200-A205 VanDerWaalsContact CE2-CB 3.42Å
201	D	95.5	Very high	96.4	Very high	67 Å²	67	48 Å²	48	36%	0.358	24%	0.242	S	C	.	.			trans	-135.4	130.9	164.1	166.2	-96.9	0	0	0	107.9	T199 L203 N204 A205	T199-D201 PolarHBondContact O-N 2.84Å; D201-L203 VanDerWaalsContact C-N 3.3Å; D201-L203 PolarHBondContact O-N 2.94Å; D201-L203 PolarHBondContact OD1-N 3.17Å; D201-L203 VanDerWaalsContact OD1-N 3.15Å; D201-N204 HydrophobicContact CB-CB 3.99Å; D201-N204 PolarHBondContact O-N 3.04Å; D201-N204 WeakPolarHBondContact OD1-CB 3.45Å; D201-N204 PolarHBondContact OD1-N 2.89Å; D201-N204 PolarHBondContact OD1-ND2 3.35Å; D201-A205 WeakPolarHBondContact O-CB 3.18Å; D201-A205 PolarHBondContact O-N 3.44Å
202	A	93.8	Very high	96.6	Very high	6 Å²	6	44.4 Å²	44.4	5%	0.05	22%	0.219	C	C	.	.	H	α-helix	trans	-57.7	-42.6	-173	0	0	0	0	0	112.3	I134 L135 Y200 Y206	I134-A202 HydrophobicContact CD1-CB 4.25Å; I134-A202 HydrophobicContact CG1-CB 4.13Å; L135-A202 WeakPolarHBondContact O-CB 3.32Å; Y200-A202 HydrophobicContact CE1-CB 4.3Å; A202-Y206 VanDerWaalsContact O-CB 3.22Å; A202-Y206 WeakPolarHBondContact O-CB 3.24Å; A202-Y206 PolarHBondContact O-N 3.05Å
203	L	91.8	Very high	96.8	Very high	57 Å²	57	41.2 Å²	41.2	30%	0.298	20%	0.201	S	C	.	.	H	α-helix	trans	-72.3	-38.8	-178.7	-176.1	60.8	0	0	0	111.3	I182 D201 S207	I182-L203 HydrophobicContact CD1-CD1 4.28Å; I182-L203 HydrophobicContact CG1-CD1 4.1Å; D201-L203 VanDerWaalsContact C-N 3.3Å; D201-L203 PolarHBondContact O-N 2.94Å; D201-L203 PolarHBondContact OD1-N 3.17Å; D201-L203 VanDerWaalsContact OD1-N 3.15Å; L203-S207 VanDerWaalsContact O-CB 3.26Å; L203-S207 WeakPolarHBondContact O-CB 3.45Å; L203-S207 PolarHBondContact O-N 3.4Å; L203-S207 PolarHBondContact O-OG 3.41Å
204	N	96.5	Very high	96.9	Very high	69 Å²	69	41.2 Å²	41.2	37%	0.369	20%	0.201	S	C	.	.	H	α-helix	trans	-66	-45.3	176.4	-73.3	-25.8	0	0	0	112	Y195 D201 S207 T208	Y195-N204 HydrophobicContact CE2-CB 3.86Å; D201-N204 HydrophobicContact CB-CB 3.99Å; D201-N204 PolarHBondContact O-N 3.04Å; D201-N204 WeakPolarHBondContact OD1-CB 3.45Å; D201-N204 PolarHBondContact OD1-N 2.89Å; D201-N204 PolarHBondContact OD1-ND2 3.35Å; N204-S207 PolarHBondContact O-N 2.85Å; N204-T208 VanDerWaalsContact O-CB 3.28Å; N204-T208 WeakPolarHBondContact O-CB 3.35Å; N204-T208 PolarHBondContact O-N 3.44Å; N204-T208 PolarHBondContact O-OG1 3.34Å
205	A	97.1	Very high	96.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.7	-46.5	175.1	0	0	0	0	0	110.9	Y195 Y200 D201 S207 T208 S209	Y195-A205 HydrophobicContact CD2-CB 4.14Å; Y200-A205 HydrophobicContact CD2-CB 4.07Å; Y200-A205 HydrophobicContact CE2-CB 3.42Å; Y200-A205 VanDerWaalsContact CE2-CB 3.42Å; D201-A205 WeakPolarHBondContact O-CB 3.18Å; D201-A205 PolarHBondContact O-N 3.44Å; A205-S207 PolarHBondContact O-N 2.97Å; A205-T208 PolarHBondContact O-N 3.48Å; A205-S209 PolarHBondContact O-N 3.49Å
206	Y	95.5	Very high	97	Very high	39 Å²	39	38.2 Å²	38.2	15%	0.153	19%	0.189	C	C	.	.	H	α-helix	trans	-60.2	-48.3	175.6	-176.5	-114.3	0	0	0	112.3	L133 I134 T148 I182 A202 T208 S209 K210	L133-Y206 WeakPolarHBondContact O-CD2 3.47Å; I134-Y206 HydrophobicContact CB-CD2 4Å; I134-Y206 HydrophobicContact CB-CG 4.23Å; I134-Y206 HydrophobicContact CD1-CD1 4.32Å; I134-Y206 HydrophobicContact CD1-CG 3.97Å; I134-Y206 HydrophobicContact CG1-CD2 4.5Å; I134-Y206 HydrophobicContact CG1-CG 4.29Å; T148-Y206 HydrophobicContact CG2-CD2 4.34Å; I182-Y206 HydrophobicContact CG2-CD1 3.77Å; I182-Y206 HydrophobicContact CG2-CE1 3.71Å; A202-Y206 VanDerWaalsContact O-CB 3.22Å; A202-Y206 WeakPolarHBondContact O-CB 3.24Å; A202-Y206 PolarHBondContact O-N 3.05Å; Y206-T208 VanDerWaalsContact C-N 3.28Å; Y206-T208 PolarHBondContact O-N 2.96Å; Y206-S209 PolarHBondContact O-N 3.15Å; Y206-S209 PolarHBondContact O-OG 3.14Å; Y206-K210 HydrophobicContact CD2-CG 4.43Å; Y206-K210 HydrophobicContact CE1-CG 4.24Å; Y206-K210 HydrophobicContact CE2-CD 4.27Å; Y206-K210 HydrophobicContact CE2-CG 4.07Å; Y206-K210 WeakPolarHBondContact O-CG 3.28Å; Y206-K210 PolarHBondContact O-N 3.26Å; Y206-K210 WeakPolarHBondContact OH-CE 3.38Å
207	S	96	Very high	97.1	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.007	17%	0.168	C	C	.	.	H	α-helix	trans	-59.3	-40	177.8	-55.7	0	0	0	0	112.3	I182 G186 L203 N204 A205 K210 L211	I182-S207 WeakPolarHBondContact CG1-OG 3.2Å; I182-S207 WeakPolarHBondContact O-CB 3.36Å; G186-S207 WeakPolarHBondContact CA-O 3.48Å; L203-S207 VanDerWaalsContact O-CB 3.26Å; L203-S207 WeakPolarHBondContact O-CB 3.45Å; L203-S207 PolarHBondContact O-N 3.4Å; L203-S207 PolarHBondContact O-OG 3.41Å; N204-S207 PolarHBondContact O-N 2.85Å; A205-S207 PolarHBondContact O-N 2.97Å; S207-K210 PolarHBondContact O-N 2.83Å; S207-L211 PolarHBondContact O-N 3.08Å
208	T	98.3	Very high	97.1	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-66.6	-43.9	176.3	-64	0	0	0	0	111.6	M149 R187 I189 N204 A205 Y206 K210 L211 A212	M149-T208 HydrophobicContact CE-CG2 4.45Å; M149-T208 HydrophobicContact SD-CG2 3.9Å; R187-T208 PolarHBondContact N-OG1 3.39Å; R187-T208 WeakPolarHBondContact O-CG2 3.4Å; R187-T208 PolarHBondContact O-OG1 2.68Å; I189-T208 HydrophobicContact CG1-CG2 4.17Å; N204-T208 VanDerWaalsContact O-CB 3.28Å; N204-T208 WeakPolarHBondContact O-CB 3.35Å; N204-T208 PolarHBondContact O-N 3.44Å; N204-T208 PolarHBondContact O-OG1 3.34Å; A205-T208 PolarHBondContact O-N 3.48Å; Y206-T208 VanDerWaalsContact C-N 3.28Å; Y206-T208 PolarHBondContact O-N 2.96Å; T208-K210 VanDerWaalsContact C-N 3.28Å; T208-K210 PolarHBondContact O-N 3.39Å; T208-L211 WeakPolarHBondContact O-CB 3.38Å; T208-L211 PolarHBondContact O-N 3.14Å; T208-L211 VanDerWaalsContact O-N 3.15Å; T208-A212 PolarHBondContact O-N 3.01Å
209	S	98.6	Very high	97.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.6	-36.8	175.9	78	0	0	0	0	112.8	M149 N152 A205 Y206 A212 N213	M149-S209 WeakPolarHBondContact SD-CA 3.47Å; M149-S209 VanDerWaalsContact SD-CB 3.55Å; M149-S209 PolarHBondContact SD-N 2.97Å; M149-S209 VanDerWaalsContact SD-N 3.44Å; N152-S209 PolarHBondContact ND2-OG 2.94Å; A205-S209 PolarHBondContact O-N 3.49Å; Y206-S209 PolarHBondContact O-N 3.15Å; Y206-S209 PolarHBondContact O-OG 3.14Å; S209-A212 WeakPolarHBondContact O-CB 3.08Å; S209-A212 PolarHBondContact O-N 2.91Å; S209-N213 PolarHBondContact O-N 3.22Å; S209-N213 VanDerWaalsContact O-N 3.09Å
210	K	98.1	Very high	97.3	Very high	7 Å²	7	15.2 Å²	15.2	3%	0.03	8%	0.076	C	C	.	.	H	α-helix	trans	-74.7	-31.4	177.4	-61.9	-59.9	173.2	-168.7	0	112	V178 S179 I182 H183 Y206 S207 T208 V214	V178-K210 PolarHBondContact O-NZ 2.89Å; S179-K210 PolarHBondContact OG-O 3.3Å; I182-K210 HydrophobicContact CG2-CB 4.44Å; I182-K210 HydrophobicContact CG2-CG 4.38Å; H183-K210 VanDerWaalsContact CB-C 3.49Å; H183-K210 HydrophobicContact CB-CB 3.97Å; Y206-K210 HydrophobicContact CD2-CG 4.43Å; Y206-K210 HydrophobicContact CE1-CG 4.24Å; Y206-K210 HydrophobicContact CE2-CD 4.27Å; Y206-K210 HydrophobicContact CE2-CG 4.07Å; Y206-K210 WeakPolarHBondContact O-CG 3.28Å; Y206-K210 PolarHBondContact O-N 3.26Å; Y206-K210 WeakPolarHBondContact OH-CE 3.38Å; S207-K210 PolarHBondContact O-N 2.83Å; T208-K210 VanDerWaalsContact C-N 3.28Å; T208-K210 PolarHBondContact O-N 3.39Å; K210-V214 PolarHBondContact O-N 3.4Å
211	L	98.6	Very high	97.3	Very high	2 Å²	2	14 Å²	14	1%	0.01	7%	0.072	C	C	.	.	H	α-helix	trans	-64.5	-43	167.7	176.2	62.7	0	0	0	111.3	H183 I188 S207 T208 N213 V214 I215 Y299 A300	H183-L211 HydrophobicContact CB-CB 4.35Å; I188-L211 HydrophobicContact CG1-CD2 4.46Å; S207-L211 PolarHBondContact O-N 3.08Å; T208-L211 WeakPolarHBondContact O-CB 3.38Å; T208-L211 PolarHBondContact O-N 3.14Å; T208-L211 VanDerWaalsContact O-N 3.15Å; L211-N213 VanDerWaalsContact C-N 3.29Å; L211-N213 PolarHBondContact O-N 2.76Å; L211-V214 WeakPolarHBondContact O-CB 3.4Å; L211-V214 PolarHBondContact O-N 2.87Å; L211-I215 HydrophobicContact CD1-CD1 4.17Å; L211-I215 HydrophobicContact CD1-CG1 4.29Å; L211-I215 HydrophobicContact CD2-CD1 4.36Å; L211-I215 HydrophobicContact CG-CD1 3.85Å; L211-I215 HydrophobicContact CG-CG1 4.41Å; L211-I215 PolarHBondContact O-N 3.28Å; L211-Y299 HydrophobicContact CD2-CG 4.47Å; L211-A300 HydrophobicContact CD1-CB 4.09Å
212	A	98.9	Very high	97.3	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.008	8%	0.08	C	C	.	.	H	α-helix	trans	-57.7	-41.3	177.2	0	0	0	0	0	112	M149 Y153 T208 S209 V214 I215 H216 F309	M149-A212 HydrophobicContact CE-CB 4.3Å; Y153-A212 HydrophobicContact CD1-CB 3.82Å; Y153-A212 HydrophobicContact CD2-CB 3.59Å; Y153-A212 HydrophobicContact CE1-CB 4.22Å; Y153-A212 HydrophobicContact CE2-CB 4.05Å; Y153-A212 HydrophobicContact CG-CB 3.47Å; Y153-A212 VanDerWaalsContact CG-CB 3.47Å; T208-A212 PolarHBondContact O-N 3.01Å; S209-A212 WeakPolarHBondContact O-CB 3.08Å; S209-A212 PolarHBondContact O-N 2.91Å; A212-V214 VanDerWaalsContact C-N 3.28Å; A212-V214 PolarHBondContact O-N 3.3Å; A212-I215 PolarHBondContact O-N 3.14Å; A212-H216 WeakPolarHBondContact O-CB 3.47Å; A212-H216 PolarHBondContact O-N 3.25Å; A212-F309 HydrophobicContact CB-CE1 3.92Å; A212-F309 HydrophobicContact CB-CZ 3.47Å; A212-F309 VanDerWaalsContact CB-CZ 3.47Å
213	N	98.9	Very high	97.3	Very high	4 Å²	4	18 Å²	18	2%	0.021	9%	0.086	C	C	.	.	H	α-helix	trans	-58.7	-36.3	173.8	-67.4	158.1	0	0	0	113.7	N152 N177 V178 S209 L211 A217	N152-N213 PolarHBondContact O-ND2 3.37Å; N177-N213 HydrophobicContact CB-CB 4.07Å; N177-N213 PolarHBondContact ND2-O 3.44Å; V178-N213 PolarHBondContact O-OD1 3.07Å; S209-N213 PolarHBondContact O-N 3.22Å; S209-N213 VanDerWaalsContact O-N 3.09Å; L211-N213 VanDerWaalsContact C-N 3.29Å; L211-N213 PolarHBondContact O-N 2.76Å; N213-A217 PolarHBondContact O-N 3.3Å; N213-A217 VanDerWaalsContact O-N 3.14Å
214	V	98.9	Very high	97.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-74.1	-47.4	177.9	178.8	0	0	0	0	110.7	S179 H183 K210 L211 A212 H216 A217 I218 Y287 P296 A300	S179-V214 WeakPolarHBondContact OG-CG2 3.38Å; H183-V214 HydrophobicContact CB-CG2 4.37Å; K210-V214 PolarHBondContact O-N 3.4Å; L211-V214 WeakPolarHBondContact O-CB 3.4Å; L211-V214 PolarHBondContact O-N 2.87Å; A212-V214 VanDerWaalsContact C-N 3.28Å; A212-V214 PolarHBondContact O-N 3.3Å; V214-H216 VanDerWaalsContact C-N 3.28Å; V214-H216 PolarHBondContact O-N 2.79Å; V214-A217 PolarHBondContact O-N 3.01Å; V214-I218 HydrophobicContact CG1-CD1 4Å; V214-I218 WeakPolarHBondContact O-CG1 3.48Å; V214-I218 PolarHBondContact O-N 3.23Å; V214-I218 VanDerWaalsContact O-N 3.15Å; V214-Y287 HydrophobicContact CG2-CD2 3.94Å; V214-Y287 HydrophobicContact CG2-CE2 4.17Å; V214-P296 HydrophobicContact CG1-CB 3.55Å; V214-A300 HydrophobicContact CG1-CB 3.87Å
215	I	98.8	Very high	97.3	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.01	8%	0.082	C	C	.	.	H	α-helix	trans	-55.8	-47.2	175.1	-71.4	169.1	0	0	0	110.2	I188 L211 A212 A217 I218 E219 A300 R306 F309	I188-I215 HydrophobicContact CD1-CD1 3.92Å; I188-I215 HydrophobicContact CG1-CD1 3.95Å; L211-I215 HydrophobicContact CD1-CD1 4.17Å; L211-I215 HydrophobicContact CD1-CG1 4.29Å; L211-I215 HydrophobicContact CD2-CD1 4.36Å; L211-I215 HydrophobicContact CG-CD1 3.85Å; L211-I215 HydrophobicContact CG-CG1 4.41Å; L211-I215 PolarHBondContact O-N 3.28Å; A212-I215 PolarHBondContact O-N 3.14Å; I215-A217 PolarHBondContact O-N 3.27Å; I215-I218 PolarHBondContact O-N 3.26Å; I215-E219 WeakPolarHBondContact O-CB 3.47Å; I215-E219 PolarHBondContact O-N 3.14Å; I215-A300 HydrophobicContact CG1-CB 3.82Å; I215-R306 HydrophobicContact CG2-CB 4.27Å; I215-R306 HydrophobicContact CG2-CG 3.99Å; I215-F309 HydrophobicContact CB-CD1 4.32Å; I215-F309 HydrophobicContact CB-CE1 4.45Å; I215-F309 HydrophobicContact CD1-CD2 4.26Å; I215-F309 HydrophobicContact CD1-CE2 4.42Å; I215-F309 HydrophobicContact CD1-CG 4.4Å; I215-F309 HydrophobicContact CG2-CB 4.09Å; I215-F309 HydrophobicContact CG2-CD1 3.51Å; I215-F309 HydrophobicContact CG2-CE1 4.1Å; I215-F309 HydrophobicContact CG2-CG 3.88Å
216	H	98.7	Very high	96.9	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-57.9	-48.6	178.1	179.5	-140.4	0	0	0	112.1	Y153 F157 N177 A212 V214 I218 E219 L220 W310	Y153-H216 HydrophobicContact CE2-CB 3.97Å; F157-H216 AromaticContact CD2-CD2 3.36Å; F157-H216 WeakPolarHBondContact CD2-CD2 3.38Å; F157-H216 AromaticContact CD2-CG 3.96Å; F157-H216 AromaticContact CD2-NE2 3.46Å; F157-H216 WeakPolarHBondContact CD2-NE2 3.23Å; F157-H216 AromaticContact CE2-CD2 3.56Å; F157-H216 AromaticContact CE2-NE2 3.83Å; N177-H216 PolarHBondContact ND2-ND1 3.34Å; A212-H216 WeakPolarHBondContact O-CB 3.47Å; A212-H216 PolarHBondContact O-N 3.25Å; V214-H216 VanDerWaalsContact C-N 3.28Å; V214-H216 PolarHBondContact O-N 2.79Å; H216-I218 VanDerWaalsContact C-N 3.33Å; H216-I218 PolarHBondContact O-N 2.93Å; H216-E219 PolarHBondContact O-N 2.8Å; H216-L220 WeakPolarHBondContact O-CB 3.38Å; H216-L220 PolarHBondContact O-N 3.37Å; H216-W310 AromaticContact CD2-CZ3 3.78Å
217	A	98.8	Very high	96.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.3	-39.2	-179.2	0	0	0	0	0	113.1	N213 V214 I215 S221 V232	N213-A217 PolarHBondContact O-N 3.3Å; N213-A217 VanDerWaalsContact O-N 3.14Å; V214-A217 PolarHBondContact O-N 3.01Å; I215-A217 PolarHBondContact O-N 3.27Å; A217-S221 WeakPolarHBondContact O-CB 3.13Å; A217-S221 PolarHBondContact O-N 3.44Å; A217-S221 PolarHBondContact O-OG 3.3Å; A217-V232 VanDerWaalsContact CB-C 3.42Å
218	I	98.6	Very high	96.7	Very high	20 Å²	20	26.8 Å²	26.8	10%	0.103	14%	0.141	C	C	.	.	H	α-helix	trans	-67.3	-55.7	177.8	-61.8	164.1	0	0	0	109.9	V214 I215 H216 L220 S221 E222 G285 P296 A300 R306	V214-I218 HydrophobicContact CG1-CD1 4Å; V214-I218 WeakPolarHBondContact O-CG1 3.48Å; V214-I218 PolarHBondContact O-N 3.23Å; V214-I218 VanDerWaalsContact O-N 3.15Å; I215-I218 PolarHBondContact O-N 3.26Å; H216-I218 VanDerWaalsContact C-N 3.33Å; H216-I218 PolarHBondContact O-N 2.93Å; I218-L220 PolarHBondContact O-N 2.72Å; I218-S221 PolarHBondContact O-N 2.98Å; I218-E222 PolarHBondContact O-N 3.24Å; I218-E222 VanDerWaalsContact O-N 3.14Å; I218-G285 VanDerWaalsContact CG1-O 3.29Å; I218-G285 WeakPolarHBondContact CG1-O 3.22Å; I218-P296 HydrophobicContact CD1-CG 4.12Å; I218-A300 HydrophobicContact CD1-CB 3.92Å; I218-R306 VanDerWaalsContact CG2-NE 3.35Å
219	E	97.8	Very high	96.7	Very high	8 Å²	8	27 Å²	27	4%	0.037	14%	0.142	C	C	.	.	H	α-helix	trans	-66.3	-37.8	-175.2	-171.9	61.5	-161.3	0	0	112.3	I215 H216 S221 E222 R223 R306 W310	I215-E219 WeakPolarHBondContact O-CB 3.47Å; I215-E219 PolarHBondContact O-N 3.14Å; H216-E219 PolarHBondContact O-N 2.8Å; E219-S221 VanDerWaalsContact C-N 3.32Å; E219-S221 PolarHBondContact O-N 3.39Å; E219-E222 PolarHBondContact O-N 3.44Å; E219-R223 VanDerWaalsContact O-CG 3.32Å; E219-R223 WeakPolarHBondContact O-CG 3.49Å; E219-R223 PolarHBondContact O-N 3.3Å; E219-R223 IonicContact OE1-CZ 2.74Å; E219-R223 IonicContact OE1-NE 2.68Å; E219-R223 PolarHBondContact OE1-NE 2.97Å; E219-R223 IonicContact OE1-NH2 3.15Å; E219-R306 HydrophobicContact CB-CB 4.35Å; E219-R306 WeakPolarHBondContact OE2-CB 3.47Å; E219-R306 IonicContact OE2-NE 3.37Å; E219-R306 PolarHBondContact OE2-NE 2.61Å; E219-W310 HydrophobicContact CB-CE3 4.06Å; E219-W310 HydrophobicContact CG-CB 3.94Å; E219-W310 HydrophobicContact CG-CD2 4.04Å; E219-W310 HydrophobicContact CG-CE3 3.68Å; E219-W310 HydrophobicContact CG-CG 4.16Å
220	L	97.5	Very high	96.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.5	-40	174.7	-175.7	63.7	0	0	0	111.6	T160 I175 H216 I218 R223 L224 A231 W310	T160-L220 HydrophobicContact CG2-CD2 3.6Å; I175-L220 HydrophobicContact CD1-CD2 3.56Å; I175-L220 HydrophobicContact CD1-CG 4.45Å; I175-L220 HydrophobicContact CG2-CD2 4.28Å; H216-L220 WeakPolarHBondContact O-CB 3.38Å; H216-L220 PolarHBondContact O-N 3.37Å; I218-L220 PolarHBondContact O-N 2.72Å; L220-R223 PolarHBondContact O-N 3.01Å; L220-L224 HydrophobicContact CD1-CD1 3.7Å; L220-L224 HydrophobicContact CD1-CG 3.94Å; L220-L224 HydrophobicContact CD2-CD1 4.33Å; L220-L224 HydrophobicContact CG-CD1 3.7Å; L220-L224 HydrophobicContact CG-CG 4.22Å; L220-L224 WeakPolarHBondContact O-CB 3.38Å; L220-L224 VanDerWaalsContact O-CG 3.29Å; L220-L224 WeakPolarHBondContact O-CG 3.37Å; L220-L224 PolarHBondContact O-N 3.4Å; L220-A231 HydrophobicContact CB-CB 4.07Å; L220-A231 HydrophobicContact CD2-CB 3.76Å; L220-A231 HydrophobicContact CG-CB 4Å; L220-W310 HydrophobicContact CB-CH2 4.47Å; L220-W310 HydrophobicContact CB-CZ3 3.98Å; L220-W310 HydrophobicContact CD1-CH2 3.61Å; L220-W310 HydrophobicContact CD1-CZ3 3.99Å
221	S	96.3	Very high	96.7	Very high	7 Å²	7	28.2 Å²	28.2	5%	0.049	15%	0.149	C	C	.	.	H	α-helix	trans	-66.2	-38.5	177.4	-68	0	0	0	0	112.9	A217 I218 E219 R223 L224 K225 A231 G285	A217-S221 WeakPolarHBondContact O-CB 3.13Å; A217-S221 PolarHBondContact O-N 3.44Å; A217-S221 PolarHBondContact O-OG 3.3Å; I218-S221 PolarHBondContact O-N 2.98Å; E219-S221 VanDerWaalsContact C-N 3.32Å; E219-S221 PolarHBondContact O-N 3.39Å; S221-R223 VanDerWaalsContact C-N 3.3Å; S221-L224 PolarHBondContact O-N 3.36Å; S221-K225 PolarHBondContact O-N 2.83Å; S221-A231 WeakPolarHBondContact OG-CA 3.5Å; S221-A231 WeakPolarHBondContact OG-CB 3.39Å; S221-A231 PolarHBondContact OG-N 3.03Å; S221-A231 PolarHBondContact OG-O 3.29Å; S221-G285 VanDerWaalsContact CB-N 3.31Å; S221-G285 PolarHBondContact OG-N 2.98Å
222	E	95.5	Very high	96.7	Very high	112 Å²	112	28.1 Å²	28.1	52%	0.523	15%	0.149	S	C	.	.	H	α-helix	trans	-63	-40.1	173.7	-67.1	-62.9	153.5	0	0	111.1	I218 E219 K225	I218-E222 PolarHBondContact O-N 3.24Å; I218-E222 VanDerWaalsContact O-N 3.14Å; E219-E222 PolarHBondContact O-N 3.44Å; E222-K225 WeakPolarHBondContact O-CB 3.32Å; E222-K225 PolarHBondContact O-N 2.95Å
223	R	95.3	Very high	96.7	Very high	45 Å²	45	28 Å²	28	17%	0.17	15%	0.149	C	C	.	.	H	α-helix	trans	-75.3	-26.5	179.9	-71.1	172.7	174.2	-102.6	4.7	114.1	E219 L220 S221 K225 W310 N311 C321	E219-R223 VanDerWaalsContact O-CG 3.32Å; E219-R223 WeakPolarHBondContact O-CG 3.49Å; E219-R223 PolarHBondContact O-N 3.3Å; E219-R223 IonicContact OE1-CZ 2.74Å; E219-R223 IonicContact OE1-NE 2.68Å; E219-R223 PolarHBondContact OE1-NE 2.97Å; E219-R223 IonicContact OE1-NH2 3.15Å; L220-R223 PolarHBondContact O-N 3.01Å; S221-R223 VanDerWaalsContact C-N 3.3Å; R223-K225 VanDerWaalsContact C-N 3.34Å; R223-W310 VanDerWaalsContact CD-CE2 3.5Å; R223-W310 VanDerWaalsContact NH1-NE1 3.18Å; R223-N311 PolarHBondContact NH2-OD1 3.39Å; R223-C321 PolarHBondContact NH1-O 3.39Å
224	L	95	Very high	96.7	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.016	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	15.4	176.2	-63.1	179.9	0	0	0	112.7	L164 I175 L220 S221 D226 C227 V229	L164-L224 HydrophobicContact CD1-CD2 4.36Å; L164-L224 HydrophobicContact CD2-CD1 3.66Å; L164-L224 HydrophobicContact CD2-CD2 4.02Å; L164-L224 HydrophobicContact CD2-CG 4.45Å; I175-L224 HydrophobicContact CD1-CD1 4.04Å; L220-L224 HydrophobicContact CD1-CD1 3.7Å; L220-L224 HydrophobicContact CD1-CG 3.94Å; L220-L224 HydrophobicContact CD2-CD1 4.33Å; L220-L224 HydrophobicContact CG-CD1 3.7Å; L220-L224 HydrophobicContact CG-CG 4.22Å; L220-L224 WeakPolarHBondContact O-CB 3.38Å; L220-L224 VanDerWaalsContact O-CG 3.29Å; L220-L224 WeakPolarHBondContact O-CG 3.37Å; L220-L224 PolarHBondContact O-N 3.4Å; S221-L224 PolarHBondContact O-N 3.36Å; L224-D226 PolarHBondContact O-N 3.49Å; L224-C227 HydrophobicContact CB-CB 4.34Å; L224-C227 VanDerWaalsContact O-CB 3.28Å; L224-C227 WeakPolarHBondContact O-CB 3.37Å; L224-C227 PolarHBondContact O-N 3.34Å; L224-V229 HydrophobicContact CB-CB 4.39Å; L224-V229 HydrophobicContact CD1-CB 3.84Å; L224-V229 HydrophobicContact CD1-CG1 3.68Å
225	K	91.5	Very high	96.5	Very high	129 Å²	129	28.4 Å²	28.4	56%	0.561	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52	136.4	172.1	-165.3	-179.3	175.8	-177	0	109.1	S221 E222 R223 C227	S221-K225 PolarHBondContact O-N 2.83Å; E222-K225 WeakPolarHBondContact O-CB 3.32Å; E222-K225 PolarHBondContact O-N 2.95Å; R223-K225 VanDerWaalsContact C-N 3.34Å; K225-C227 PolarHBondContact O-N 3.02Å
226	D	90.3	Very high	96.1	Very high	146 Å²	146	28.8 Å²	28.8	78%	0.781	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.7	1.7	-179.2	-46.9	-43.9	0	0	0	115.9	L224 G228	L224-D226 PolarHBondContact O-N 3.49Å; D226-G228 VanDerWaalsContact C-N 3.33Å
227	C	93.2	Very high	95	Very high	42 Å²	42	29.4 Å²	29.4	28%	0.284	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-4.5	173	-64.8	0	0	0	0	113.6	K168 L224 K225 V229	K168-C227 HydrophobicContact CG-CB 4.34Å; L224-C227 HydrophobicContact CB-CB 4.34Å; L224-C227 VanDerWaalsContact O-CB 3.28Å; L224-C227 WeakPolarHBondContact O-CB 3.37Å; L224-C227 PolarHBondContact O-N 3.34Å; K225-C227 PolarHBondContact O-N 3.02Å; C227-V229 HydrophobicContact CB-CG2 4.35Å; C227-V229 PolarHBondContact O-N 3.15Å
228	G	93.5	Very high	93.5	Very high	32 Å²	32	35.1 Å²	35.1	33%	0.33	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	16	-173.9	0	0	0	0	0	114.4	S172 S173 D226	S172-G228 VanDerWaalsContact CA-O 3.28Å; S172-G228 WeakPolarHBondContact CA-O 3.19Å; S173-G228 PolarHBondContact N-O 3.34Å; D226-G228 VanDerWaalsContact C-N 3.33Å
229	V	97.6	Very high	91.5	Very high	6 Å²	6	34.6 Å²	34.6	4%	0.036	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.4	176.9	-174.5	0	0	0	0	108.9	L167 K168 S173 I175 L224 C227	L167-V229 HydrophobicContact CB-CG1 4.31Å; L167-V229 HydrophobicContact CB-CG2 4.42Å; K168-V229 HydrophobicContact CB-CG2 4.48Å; K168-V229 HydrophobicContact CG-CG2 3.88Å; S173-V229 WeakPolarHBondContact OG-CG2 3.35Å; I175-V229 HydrophobicContact CD1-CG1 3.63Å; I175-V229 HydrophobicContact CG1-CG1 4.04Å; L224-V229 HydrophobicContact CB-CB 4.39Å; L224-V229 HydrophobicContact CD1-CB 3.84Å; L224-V229 HydrophobicContact CD1-CG1 3.68Å; C227-V229 HydrophobicContact CB-CG2 4.35Å; C227-V229 PolarHBondContact O-N 3.15Å
230	V	98.3	Very high	89.3	Confident	32 Å²	32	37 Å²	37	19%	0.194	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.8	-178.1	-179.8	0	0	0	0	110.3	S173 R174 I175 V232 L282 P284	S173-V230 PolarHBondContact O-N 2.73Å; R174-V230 CarbonylContact C-O 3.54Å; R174-V230 VanDerWaalsContact CA-O 3.3Å; R174-V230 WeakPolarHBondContact CA-O 3.18Å; I175-V230 PolarHBondContact N-O 2.98Å; V230-V232 HydrophobicContact CG1-CG1 4.18Å; V230-L282 HydrophobicContact CB-CD2 4.2Å; V230-L282 HydrophobicContact CG1-CD2 3.62Å; V230-L282 HydrophobicContact CG1-CG 4.03Å; V230-P284 HydrophobicContact CG1-CB 4.25Å; V230-P284 HydrophobicContact CG1-CG 4.19Å; V230-P284 HydrophobicContact CG2-CG 4.35Å
231	A	98.7	Very high	87	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	136	173.2	0	0	0	0	0	111.4	I175 L220 S221 G285	I175-A231 HydrophobicContact CB-CB 4.07Å; I175-A231 CarbonylContact O-C 3.6Å; I175-A231 VanDerWaalsContact O-CA 3.31Å; I175-A231 WeakPolarHBondContact O-CA 3.39Å; L220-A231 HydrophobicContact CB-CB 4.07Å; L220-A231 HydrophobicContact CD2-CB 3.76Å; L220-A231 HydrophobicContact CG-CB 4Å; S221-A231 WeakPolarHBondContact OG-CA 3.5Å; S221-A231 WeakPolarHBondContact OG-CB 3.39Å; S221-A231 PolarHBondContact OG-N 3.03Å; S221-A231 PolarHBondContact OG-O 3.29Å; A231-G285 WeakPolarHBondContact O-CA 3.48Å; A231-G285 PolarHBondContact O-N 2.68Å
232	V	98.9	Very high	84.8	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	163.7	177.1	-65.7	0	0	0	0	110.6	I175 I176 N177 A217 V230 T276 L282 I283 G286 Y288	I175-V232 PolarHBondContact O-N 2.82Å; I176-V232 HydrophobicContact CB-CG2 4.48Å; I176-V232 HydrophobicContact CG1-CG2 3.81Å; N177-V232 PolarHBondContact N-O 3.37Å; A217-V232 VanDerWaalsContact CB-C 3.42Å; V230-V232 HydrophobicContact CG1-CG1 4.18Å; V232-T276 HydrophobicContact CG2-CG2 4.11Å; V232-L282 HydrophobicContact CG1-CD1 3.86Å; V232-L282 HydrophobicContact CG1-CD2 3.92Å; V232-L282 HydrophobicContact CG1-CG 3.77Å; V232-L282 HydrophobicContact CG2-CD1 4.23Å; V232-L282 HydrophobicContact CG2-CD2 4.23Å; V232-I283 WeakPolarHBondContact CG1-O 3.18Å; V232-G286 WeakPolarHBondContact CA-O 3.48Å; V232-G286 WeakPolarHBondContact CB-O 3.45Å; V232-Y288 HydrophobicContact CB-CD2 4.39Å; V232-Y288 HydrophobicContact CB-CE2 4.37Å; V232-Y288 HydrophobicContact CG1-CE2 4.03Å
233	S	98.9	Very high	82.7	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	159	172.3	58.9	0	0	0	0	110.7	N177 G286 Y287 Y288	N177-S233 VanDerWaalsContact O-CA 3.24Å; N177-S233 WeakPolarHBondContact O-CA 3.12Å; S233-G286 PolarHBondContact N-O 3Å; S233-Y287 CarbonylContact O-C 3.54Å; S233-Y287 VanDerWaalsContact O-CA 3.32Å; S233-Y287 WeakPolarHBondContact O-CA 3.09Å; S233-Y288 PolarHBondContact O-N 3.12Å
234	L	98.6	Very high	80.6	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	159.7	179.7	65.6	90.6	0	0	0	114.9	I176 N177 V178 S179 P236 T272 T273 T276 Y288	I176-L234 HydrophobicContact CG2-CD2 3.51Å; I176-L234 HydrophobicContact CG2-CG 4.47Å; N177-L234 PolarHBondContact O-N 3.07Å; N177-L234 VanDerWaalsContact O-N 3.08Å; V178-L234 HydrophobicContact CG1-CD1 4.38Å; V178-L234 HydrophobicContact CG2-CD1 4.47Å; S179-L234 CarbonylContact C-O 3.18Å; S179-L234 WeakPolarHBondContact CA-O 3.05Å; S179-L234 WeakPolarHBondContact CB-O 2.94Å; S179-L234 PolarHBondContact N-O 3.3Å; L234-P236 HydrophobicContact CD1-CB 4.26Å; L234-T272 HydrophobicContact CB-CG2 3.84Å; L234-T272 HydrophobicContact CD1-CG2 4.27Å; L234-T272 HydrophobicContact CD2-CG2 4.33Å; L234-T272 HydrophobicContact CG-CG2 4.38Å; L234-T273 VanDerWaalsContact CD2-CA 3.43Å; L234-T273 HydrophobicContact CD2-CG2 4.37Å; L234-T276 HydrophobicContact CD2-CG2 4.04Å; L234-T276 WeakPolarHBondContact CD2-OG1 3.45Å; L234-Y288 CarbonylContact C-O 3.33Å; L234-Y288 WeakPolarHBondContact CA-O 3.04Å; L234-Y288 VanDerWaalsContact CB-O 3.29Å; L234-Y288 WeakPolarHBondContact CB-O 3.47Å
235	H	94.7	Very high	78.4	Confident	11 Å²	11	51.9 Å²	51.9	5%	0.051	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.3	161.8	170.9	56.2	0	0	0	110.5	S180 M181 G237 Y287 Y288	S180-H235 WeakPolarHBondContact CA-ND1 3.35Å; M181-H235 HydrophobicContact CG-CB 4.33Å; M181-H235 WeakPolarHBondContact CG-CD2 3.28Å; M181-H235 PolarHBondContact N-ND1 2.82Å; M181-H235 VanDerWaalsContact SD-CD2 3.59Å; H235-G237 VanDerWaalsContact C-N 3.3Å; H235-G237 PolarHBondContact CD2-N 2.91Å; H235-G237 WeakPolarHBondContact CE1-CA 3.43Å; H235-G237 PolarHBondContact CE1-N 3.43Å; H235-G237 VanDerWaalsContact CE1-N 3.27Å; H235-G237 PolarHBondContact CE1-O 3.31Å; H235-G237 VanDerWaalsContact CE1-O 3.3Å; H235-G237 PolarHBondContact ND1-N 3.49Å; H235-G237 WeakPolarHBondContact NE2-CA 3.12Å; H235-G237 PolarHBondContact NE2-N 2.93Å; H235-G237 PolarHBondContact O-N 3.07Å; H235-Y287 HydrophobicContact CB-CE2 4.46Å; H235-Y287 WeakPolarHBondContact CB-OH 3.38Å; H235-Y288 PolarHBondContact N-O 2.88Å
236	P	89.5	Confident	76.3	Confident	10 Å²	10	49 Å²	49	7%	0.065	26%	0.261	C	S	.	.			trans	-79.1	-6.8	-179.2	31.4	-36.2	0	0	0	114.1	R9 I32 V178 S179 L234 G269	R9-P236 PolarHBondContact NH2-O 2.7Å; I32-P236 HydrophobicContact CD1-CB 3.55Å; I32-P236 HydrophobicContact CD1-CG 3.59Å; I32-P236 HydrophobicContact CG1-CB 4.42Å; V178-P236 HydrophobicContact CG1-CG 4.07Å; S179-P236 WeakPolarHBondContact O-CD 3.26Å; L234-P236 HydrophobicContact CD1-CB 4.26Å; P236-G269 WeakPolarHBondContact CB-O 3.26Å; P236-G269 WeakPolarHBondContact O-CA 3.49Å
237	G	77.3	Confident	74.2	Confident	14 Å²	14	46.7 Å²	46.7	14%	0.144	25%	0.246	C	C	.	.			trans	98.7	169.9	-166.4	0	0	0	0	0	112.8	H235 V239	H235-G237 VanDerWaalsContact C-N 3.3Å; H235-G237 PolarHBondContact CD2-N 2.91Å; H235-G237 WeakPolarHBondContact CE1-CA 3.43Å; H235-G237 PolarHBondContact CE1-N 3.43Å; H235-G237 VanDerWaalsContact CE1-N 3.27Å; H235-G237 PolarHBondContact CE1-O 3.31Å; H235-G237 VanDerWaalsContact CE1-O 3.3Å; H235-G237 PolarHBondContact ND1-N 3.49Å; H235-G237 WeakPolarHBondContact NE2-CA 3.12Å; H235-G237 PolarHBondContact NE2-N 2.93Å; H235-G237 PolarHBondContact O-N 3.07Å; G237-V239 PolarHBondContact O-N 2.87Å; G237-V239 VanDerWaalsContact O-N 3.14Å
238	I	66.4	Low	71.8	Confident	120 Å²	120	49.6 Å²	49.6	62%	0.615	26%	0.263	S	S	*	.	S	Bend	trans	-80	95.1	172.2	-47.1	177.9	0	0	0	108.1	L263 T264	I238-L263 HydrophobicContact CB-CD2 4.27Å; I238-L263 HydrophobicContact CG2-CD2 3.36Å; I238-T264 VanDerWaalsContact O-CB 3.23Å; I238-T264 WeakPolarHBondContact O-CB 3.26Å; I238-T264 PolarHBondContact O-N 3.44Å; I238-T264 PolarHBondContact O-OG1 2.89Å
239	V	56.3	Low	69.6	Low	10 Å²	10	53.7 Å²	53.7	6%	0.061	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-95	141.2	-175.8	-177.5	0	0	0	0	110.1	I32 G237 T241 T264 P266	I32-V239 HydrophobicContact CD1-CB 4.25Å; I32-V239 HydrophobicContact CD1-CG1 4.48Å; I32-V239 HydrophobicContact CD1-CG2 3.88Å; I32-V239 HydrophobicContact CG1-CG1 4.25Å; I32-V239 HydrophobicContact CG1-CG2 4.14Å; G237-V239 PolarHBondContact O-N 2.87Å; G237-V239 VanDerWaalsContact O-N 3.14Å; V239-T241 VanDerWaalsContact C-N 3.29Å; V239-T241 HydrophobicContact CB-CG2 3.81Å; V239-T241 HydrophobicContact CG1-CG2 3.55Å; V239-T241 PolarHBondContact O-N 3.36Å; V239-T241 PolarHBondContact O-OG1 3.32Å; V239-T264 WeakPolarHBondContact CA-O 2.98Å; V239-T264 WeakPolarHBondContact CG1-O 3.13Å; V239-T264 HydrophobicContact CG2-CG2 4.32Å; V239-P266 HydrophobicContact CG1-CB 4.08Å; V239-P266 HydrophobicContact CG1-CG 3.93Å
240	N	52.6	Low	67.1	Low	59 Å²	59	60.1 Å²	60.1	32%	0.316	31%	0.314	S	S	.	.			trans	-65.3	89.7	170	-163.4	8.5	0	0	0	109.6	R260 L263 T264	N240-R260 WeakPolarHBondContact ND2-CG 3.23Å; N240-L263 HydrophobicContact CB-CB 3.57Å; N240-L263 HydrophobicContact CB-CD1 3.9Å; N240-L263 HydrophobicContact CB-CG 4.38Å; N240-L263 WeakPolarHBondContact OD1-CD1 3.39Å; N240-T264 PolarHBondContact N-O 3.33Å
241	T	49	Very low	64.6	Low	40 Å²	40	63.3 Å²	63.3	25%	0.245	34%	0.336	C	S	.	.			trans	-124.3	157.3	-175.4	53.8	0	0	0	0	110.9	V239 V243 M244	V239-T241 VanDerWaalsContact C-N 3.29Å; V239-T241 HydrophobicContact CB-CG2 3.81Å; V239-T241 HydrophobicContact CG1-CG2 3.55Å; V239-T241 PolarHBondContact O-N 3.36Å; V239-T241 PolarHBondContact O-OG1 3.32Å; T241-V243 PolarHBondContact O-N 3.01Å; T241-V243 WeakPolarHBondContact OG1-CB 3.42Å; T241-V243 WeakPolarHBondContact OG1-CG2 3.36Å; T241-M244 PolarHBondContact O-N 2.87Å
242	E	50.3	Low	62.2	Low	112 Å²	112	65.3 Å²	65.3	52%	0.523	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-58.4	-12	169.6	-65.6	179	-172.9	0	0	112.9	R56 M244 R245	R56-E242 IonicContact NH2-OE2 3.68Å; E242-M244 PolarHBondContact O-N 2.94Å; E242-M244 VanDerWaalsContact O-N 3.12Å; E242-R245 WeakPolarHBondContact O-CB 3.41Å; E242-R245 PolarHBondContact O-N 3.35Å
243	V	50.8	Low	59.8	Low	50 Å²	50	74.1 Å²	74.1	30%	0.303	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-55.2	-29.7	175.5	179.5	0	0	0	0	111.7	I134 T241 R245	I134-V243 HydrophobicContact CG2-CG1 3.57Å; I134-V243 VanDerWaalsContact CG2-O 3.27Å; I134-V243 WeakPolarHBondContact CG2-O 3.45Å; T241-V243 PolarHBondContact O-N 3.01Å; T241-V243 WeakPolarHBondContact OG1-CB 3.42Å; T241-V243 WeakPolarHBondContact OG1-CG2 3.36Å; V243-R245 VanDerWaalsContact C-N 3.34Å
244	M	50.9	Low	57.7	Low	100 Å²	100	81.1 Å²	81.1	49%	0.493	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-84.9	-0.8	176.2	-65.9	-172.7	74	0	0	114.2	T241 E242 D246 M247	T241-M244 PolarHBondContact O-N 2.87Å; E242-M244 PolarHBondContact O-N 2.94Å; E242-M244 VanDerWaalsContact O-N 3.12Å; M244-D246 VanDerWaalsContact C-N 3.27Å; M244-D246 PolarHBondContact O-N 3.48Å; M244-M247 PolarHBondContact O-N 3.15Å
245	R	49.1	Very low	55.2	Low	176 Å²	176	84.3 Å²	84.3	66%	0.664	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-30.6	-175.4	-174.3	179.5	144.2	174.3	-4.6	112.5	E242 V243 T248	E242-R245 WeakPolarHBondContact O-CB 3.41Å; E242-R245 PolarHBondContact O-N 3.35Å; V243-R245 VanDerWaalsContact C-N 3.34Å; R245-T248 VanDerWaalsContact O-CG2 3.22Å; R245-T248 WeakPolarHBondContact O-CG2 3.46Å
246	D	46.8	Very low	53	Low	69 Å²	69	90.6 Å²	90.6	37%	0.369	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-6.8	-179.1	-71.2	-5.6	0	0	0	113.5	Q136 M244 T248	Q136-D246 HydrophobicContact CB-CB 4.47Å; M244-D246 VanDerWaalsContact C-N 3.27Å; M244-D246 PolarHBondContact O-N 3.48Å; D246-T248 PolarHBondContact O-N 3.09Å
247	M	46.3	Very low	50.7	Low	97 Å²	97	93.9 Å²	93.9	48%	0.478	49%	0.485	S	S	.	.			trans	-83	41.9	172.8	-68.9	-165.1	76	0	0	112.3	M244 S249	M244-M247 PolarHBondContact O-N 3.15Å; M247-S249 PolarHBondContact O-N 2.98Å
248	T	43.3	Very low	49.4	Very low	103 Å²	103	101 Å²	101	63%	0.632	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	4	-169.6	35.4	0	0	0	0	116.3	R245 D246 F250	R245-T248 VanDerWaalsContact O-CG2 3.22Å; R245-T248 WeakPolarHBondContact O-CG2 3.46Å; D246-T248 PolarHBondContact O-N 3.09Å; T248-F250 VanDerWaalsContact C-N 3.27Å; T248-F250 PolarHBondContact O-N 2.67Å
249	S	47.3	Very low	48.4	Very low	118 Å²	118	98 Å²	98	83%	0.825	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-8.9	179.9	-53.1	0	0	0	0	115	M247	M247-S249 PolarHBondContact O-N 2.98Å
250	F	45.6	Very low	47.9	Very low	141 Å²	141	106 Å²	106	62%	0.618	53%	0.526	S	S	*	.	S	Bend	trans	-93.7	138.8	176.7	-139.5	-105.2	0	0	0	111.4	T248 S252 I255	T248-F250 VanDerWaalsContact C-N 3.27Å; T248-F250 PolarHBondContact O-N 2.67Å; F250-S252 WeakPolarHBondContact O-CB 3.46Å; F250-S252 PolarHBondContact O-N 3.35Å; F250-I255 HydrophobicContact CD1-CD1 3.95Å; F250-I255 HydrophobicContact CE1-CD1 3.51Å
251	P	45.5	Very low	47.7	Very low	100 Å²	100	108.3 Å²	108.3	65%	0.649	55%	0.547	S	S	*	.			trans	-65.5	82.6	178.8	27.1	-34.2	0	0	0	110.4	K253	P251-K253 VanDerWaalsContact C-N 3.33Å; P251-K253 PolarHBondContact O-N 3.36Å
252	S	49	Very low	47.9	Very low	41 Å²	41	112.4 Å²	112.4	29%	0.287	57%	0.571	S	S	.	*	H	α-helix	trans	-77.7	-13	-159.7	59.1	0	0	0	0	114.3	F250 R256	F250-S252 WeakPolarHBondContact O-CB 3.46Å; F250-S252 PolarHBondContact O-N 3.35Å; S252-R256 WeakPolarHBondContact O-CB 3.37Å; S252-R256 WeakPolarHBondContact O-CD 3.38Å; S252-R256 WeakPolarHBondContact O-CG 3.5Å; S252-R256 PolarHBondContact O-N 2.86Å
253	K	48.7	Very low	48.6	Very low	185 Å²	185	108.2 Å²	108.2	80%	0.804	55%	0.552	S	S	*	*	H	α-helix	trans	-69.8	-37.4	-170.6	-69.5	-171.1	179.4	179.6	0	113.9	P251	P251-K253 VanDerWaalsContact C-N 3.33Å; P251-K253 PolarHBondContact O-N 3.36Å
254	I	53.2	Low	49.4	Very low	148 Å²	148	106.8 Å²	106.8	76%	0.759	54%	0.544	S	S	*	.	H	α-helix	trans	-82.6	-37.4	-176.6	-61.5	174.2	0	0	0	111.5	P257	I254-P257 WeakPolarHBondContact O-CD 3.43Å
255	I	46.9	Very low	51.1	Low	66 Å²	66	105.3 Å²	105.3	34%	0.338	54%	0.54	S	S	.	.	H	α-helix	trans	-90.1	-20.1	-171.9	-42.5	176.1	0	0	0	111.1	F250 F258 I259	F250-I255 HydrophobicContact CD1-CD1 3.95Å; F250-I255 HydrophobicContact CE1-CD1 3.51Å; I255-F258 PolarHBondContact O-N 2.94Å; I255-I259 HydrophobicContact CB-CD1 3.84Å; I255-I259 HydrophobicContact CB-CG1 4.49Å; I255-I259 HydrophobicContact CG2-CD1 3.44Å; I255-I259 VanDerWaalsContact CG2-CD1 3.44Å; I255-I259 HydrophobicContact CG2-CG1 3.71Å; I255-I259 WeakPolarHBondContact O-CB 3.43Å; I255-I259 WeakPolarHBondContact O-CG1 3.35Å; I255-I259 PolarHBondContact O-N 3.26Å
256	R	47.3	Very low	53	Low	144 Å²	144	98.3 Å²	98.3	54%	0.543	52%	0.518	S	S	.	.	H	α-helix	trans	-50.5	-47.2	-179.1	-105.2	174.7	174.2	172.7	1.1	114.9	S252 I259 R260	S252-R256 WeakPolarHBondContact O-CB 3.37Å; S252-R256 WeakPolarHBondContact O-CD 3.38Å; S252-R256 WeakPolarHBondContact O-CG 3.5Å; S252-R256 PolarHBondContact O-N 2.86Å; R256-I259 PolarHBondContact O-N 3.14Å; R256-R260 WeakPolarHBondContact O-CG 3.08Å; R256-R260 PolarHBondContact O-N 3.44Å
257	P	42.9	Very low	55.2	Low	79 Å²	79	96.2 Å²	96.2	51%	0.513	51%	0.505	S	S	.	.	H	α-helix	trans	-64	-45.2	-179.3	-18.4	30.5	0	0	0	111.7	I254 R260 S261	I254-P257 WeakPolarHBondContact O-CD 3.43Å; P257-R260 PolarHBondContact O-N 3.34Å; P257-S261 PolarHBondContact O-N 3.12Å; P257-S261 PolarHBondContact O-OG 2.83Å
258	F	48.9	Very low	57.5	Low	162 Å²	162	95.9 Å²	95.9	71%	0.711	50%	0.501	S	S	*	.	H	α-helix	trans	-64.1	-42.4	176.8	-80.6	-85.7	0	0	0	111.8	I255 R260 S261 V262	I255-F258 PolarHBondContact O-N 2.94Å; F258-R260 VanDerWaalsContact C-N 3.34Å; F258-R260 PolarHBondContact O-N 2.77Å; F258-S261 PolarHBondContact O-N 3.28Å; F258-V262 WeakPolarHBondContact O-CG2 3.27Å; F258-V262 PolarHBondContact O-N 3.27Å; F258-V262 VanDerWaalsContact O-N 3.09Å
259	I	45.6	Very low	59.8	Low	59 Å²	59	91 Å²	91	30%	0.303	47%	0.471	S	S	.	.	H	α-helix	trans	-58.6	-45.6	173.8	-77.3	163.8	0	0	0	110.1	I255 R256 S261 V262 L263	I255-I259 HydrophobicContact CB-CD1 3.84Å; I255-I259 HydrophobicContact CB-CG1 4.49Å; I255-I259 HydrophobicContact CG2-CD1 3.44Å; I255-I259 VanDerWaalsContact CG2-CD1 3.44Å; I255-I259 HydrophobicContact CG2-CG1 3.71Å; I255-I259 WeakPolarHBondContact O-CB 3.43Å; I255-I259 WeakPolarHBondContact O-CG1 3.35Å; I255-I259 PolarHBondContact O-N 3.26Å; R256-I259 PolarHBondContact O-N 3.14Å; I259-S261 VanDerWaalsContact C-N 3.27Å; I259-S261 PolarHBondContact O-N 3Å; I259-V262 PolarHBondContact O-N 3.47Å; I259-L263 HydrophobicContact CG2-CD1 3.23Å; I259-L263 HydrophobicContact CG2-CG 3.79Å; I259-L263 VanDerWaalsContact O-CB 3.27Å; I259-L263 WeakPolarHBondContact O-CB 3.4Å; I259-L263 WeakPolarHBondContact O-CG 3.4Å; I259-L263 PolarHBondContact O-N 3.22Å
260	R	46.3	Very low	62.1	Low	177 Å²	177	85.3 Å²	85.3	67%	0.668	43%	0.431	S	S	*	.	H	α-helix	trans	-57.5	-38.9	178.1	-77.8	-158.2	163.7	165.4	-6.9	112.9	N240 R256 P257 F258	N240-R260 WeakPolarHBondContact ND2-CG 3.23Å; R256-R260 WeakPolarHBondContact O-CG 3.08Å; R256-R260 PolarHBondContact O-N 3.44Å; P257-R260 PolarHBondContact O-N 3.34Å; F258-R260 VanDerWaalsContact C-N 3.34Å; F258-R260 PolarHBondContact O-N 2.77Å
261	S	47.4	Very low	64.6	Low	108 Å²	108	78.6 Å²	78.6	76%	0.755	40%	0.402	S	S	*	.	H	α-helix	trans	-73.8	-32.4	179.8	-61.3	0	0	0	0	113.3	P257 F258 I259	P257-S261 PolarHBondContact O-N 3.12Å; P257-S261 PolarHBondContact O-OG 2.83Å; F258-S261 PolarHBondContact O-N 3.28Å; I259-S261 VanDerWaalsContact C-N 3.27Å; I259-S261 PolarHBondContact O-N 3Å
262	V	54.2	Low	67.1	Low	126 Å²	126	73.9 Å²	73.9	76%	0.764	37%	0.371	S	S	*	.	H	α-helix	trans	-77.8	-31.4	175.3	176.3	0	0	0	0	111.2	F258 I259	F258-V262 WeakPolarHBondContact O-CG2 3.27Å; F258-V262 PolarHBondContact O-N 3.27Å; F258-V262 VanDerWaalsContact O-N 3.09Å; I259-V262 PolarHBondContact O-N 3.47Å
263	L	64.2	Low	69.5	Low	23 Å²	23	72 Å²	72	12%	0.12	36%	0.358	C	S	.	.	S	Bend	trans	-73.9	141.1	-179.3	-70.7	175.7	0	0	0	111.8	I238 N240 I259	I238-L263 HydrophobicContact CB-CD2 4.27Å; I238-L263 HydrophobicContact CG2-CD2 3.36Å; N240-L263 HydrophobicContact CB-CB 3.57Å; N240-L263 HydrophobicContact CB-CD1 3.9Å; N240-L263 HydrophobicContact CB-CG 4.38Å; N240-L263 WeakPolarHBondContact OD1-CD1 3.39Å; I259-L263 HydrophobicContact CG2-CD1 3.23Å; I259-L263 HydrophobicContact CG2-CG 3.79Å; I259-L263 VanDerWaalsContact O-CB 3.27Å; I259-L263 WeakPolarHBondContact O-CB 3.4Å; I259-L263 WeakPolarHBondContact O-CG 3.4Å; I259-L263 PolarHBondContact O-N 3.22Å
264	T	68.6	Low	71.8	Confident	21 Å²	21	63.1 Å²	63.1	13%	0.129	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-71.2	141.5	-179.4	-61.4	0	0	0	0	110.6	R9 I238 V239 N240 K268	R9-T264 VanDerWaalsContact NE-CG2 3.3Å; R9-T264 VanDerWaalsContact NH1-CG2 3.3Å; R9-T264 PolarHBondContact NH1-OG1 3.24Å; R9-T264 VanDerWaalsContact NH2-CG2 3.32Å; I238-T264 VanDerWaalsContact O-CB 3.23Å; I238-T264 WeakPolarHBondContact O-CB 3.26Å; I238-T264 PolarHBondContact O-N 3.44Å; I238-T264 PolarHBondContact O-OG1 2.89Å; V239-T264 WeakPolarHBondContact CA-O 2.98Å; V239-T264 WeakPolarHBondContact CG1-O 3.13Å; V239-T264 HydrophobicContact CG2-CG2 4.32Å; N240-T264 PolarHBondContact N-O 3.33Å; T264-K268 HydrophobicContact CG2-CB 3.35Å; T264-K268 HydrophobicContact CG2-CD 4.42Å
265	T	86.2	Confident	74	Confident	68 Å²	68	57.3 Å²	57.3	42%	0.417	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-63.8	147.1	169.3	68	0	0	0	0	111.5	W267 K268 G269	T265-W267 PolarHBondContact O-N 3.2Å; T265-K268 PolarHBondContact O-N 3.46Å; T265-K268 VanDerWaalsContact O-N 3.07Å; T265-K268 WeakPolarHBondContact OG1-CG 3.41Å; T265-K268 PolarHBondContact OG1-N 3.25Å; T265-G269 PolarHBondContact O-N 3.46Å
266	P	88.5	Confident	76.5	Confident	30 Å²	30	54.1 Å²	54.1	20%	0.195	27%	0.272	C	S	.	.	H	α-helix	trans	-58.5	-32.7	178.4	-24	33.1	0	0	0	114.2	Y35 V239 G269 A270	Y35-P266 HydrophobicContact CD2-CB 3.71Å; Y35-P266 HydrophobicContact CE2-CB 3.75Å; Y35-P266 HydrophobicContact CE2-CG 4.44Å; V239-P266 HydrophobicContact CG1-CB 4.08Å; V239-P266 HydrophobicContact CG1-CG 3.93Å; P266-G269 CarbonylContact O-C 3.37Å; P266-G269 WeakPolarHBondContact O-CA 3.38Å; P266-G269 PolarHBondContact O-N 3.24Å; P266-A270 PolarHBondContact O-N 2.96Å
267	W	94.1	Very high	78.9	Confident	24 Å²	24	47.4 Å²	47.4	9%	0.091	25%	0.247	C	C	.	.	H	α-helix	trans	-58.9	-49.2	171.4	176	73.6	0	0	0	112.9	L11 Y35 D79 A81 T265 G269 A270 Q271	L11-W267 HydrophobicContact CD1-CH2 3.9Å; L11-W267 HydrophobicContact CD1-CZ3 4.24Å; L11-W267 HydrophobicContact CD2-CH2 4.29Å; L11-W267 HydrophobicContact CD2-CZ3 4.15Å; Y35-W267 HydrophobicContact CD1-CB 3.6Å; Y35-W267 AromaticContact CD1-CD1 3.73Å; Y35-W267 HydrophobicContact CD1-CG 4.06Å; Y35-W267 HydrophobicContact CD2-CB 4.21Å; Y35-W267 HydrophobicContact CE1-CB 3.79Å; Y35-W267 HydrophobicContact CE1-CG 4.44Å; Y35-W267 HydrophobicContact CE2-CB 4.41Å; Y35-W267 HydrophobicContact CG-CB 3.81Å; Y35-W267 HydrophobicContact CG-CG 4.49Å; D79-W267 HydrophobicContact CB-CD2 4.37Å; D79-W267 HydrophobicContact CB-CG 4.14Å; D79-W267 WeakPolarHBondContact O-CZ2 3.38Å; D79-W267 PolarHBondContact O-NE1 3.15Å; A81-W267 HydrophobicContact CB-CH2 4.41Å; A81-W267 HydrophobicContact CB-CZ2 4.36Å; T265-W267 PolarHBondContact O-N 3.2Å; W267-G269 PolarHBondContact O-N 3.47Å; W267-A270 PolarHBondContact O-N 3.14Å; W267-A270 VanDerWaalsContact O-N 3.15Å; W267-Q271 PolarHBondContact O-NE2 3.22Å
268	K	92.9	Very high	81.6	Confident	90 Å²	90	43.6 Å²	43.6	39%	0.391	22%	0.222	S	C	.	.	H	α-helix	trans	-63.9	-26.1	173.7	-75.5	-178.7	-177.3	175.5	0	111.7	R9 L11 T264 T265	R9-K268 PolarHBondContact NH2-O 3.36Å; L11-K268 HydrophobicContact CD2-CG 4.09Å; T264-K268 HydrophobicContact CG2-CB 3.35Å; T264-K268 HydrophobicContact CG2-CD 4.42Å; T265-K268 PolarHBondContact O-N 3.46Å; T265-K268 VanDerWaalsContact O-N 3.07Å; T265-K268 WeakPolarHBondContact OG1-CG 3.41Å; T265-K268 PolarHBondContact OG1-N 3.25Å
269	G	92	Very high	83.9	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-68	-36.9	173.4	0	0	0	0	0	113.8	P236 T265 P266 W267 Q271	P236-G269 WeakPolarHBondContact CB-O 3.26Å; P236-G269 WeakPolarHBondContact O-CA 3.49Å; T265-G269 PolarHBondContact O-N 3.46Å; P266-G269 CarbonylContact O-C 3.37Å; P266-G269 WeakPolarHBondContact O-CA 3.38Å; P266-G269 PolarHBondContact O-N 3.24Å; W267-G269 PolarHBondContact O-N 3.47Å; G269-Q271 PolarHBondContact O-N 3.02Å
270	A	96.6	Very high	86.3	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68.5	-19.6	178.6	0	0	0	0	0	113.7	I32 T36 P266 W267 T272 T273 L274	I32-A270 HydrophobicContact CG2-CB 4.25Å; T36-A270 WeakPolarHBondContact OG1-CB 3.48Å; P266-A270 PolarHBondContact O-N 2.96Å; W267-A270 PolarHBondContact O-N 3.14Å; W267-A270 VanDerWaalsContact O-N 3.15Å; A270-T272 VanDerWaalsContact C-N 3.32Å; A270-T272 PolarHBondContact O-N 3.45Å; A270-T273 WeakPolarHBondContact O-CA 3.41Å; A270-T273 VanDerWaalsContact O-CB 3.31Å; A270-T273 WeakPolarHBondContact O-CB 3.38Å; A270-T273 PolarHBondContact O-N 2.75Å; A270-L274 HydrophobicContact CB-CD1 4.07Å; A270-L274 WeakPolarHBondContact O-CG 3.35Å; A270-L274 PolarHBondContact O-N 3.03Å
271	Q	97.5	Very high	88.6	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.8	-35.7	-171.3	-63.1	-60.2	-53.1	0	0	114.3	L11 W267 G269 Y275 C291	L11-Q271 HydrophobicContact CB-CG 4.47Å; L11-Q271 HydrophobicContact CD2-CG 3.83Å; W267-Q271 PolarHBondContact O-NE2 3.22Å; G269-Q271 PolarHBondContact O-N 3.02Å; Q271-Y275 VanDerWaalsContact O-CB 3.29Å; Q271-Y275 WeakPolarHBondContact O-CB 3.37Å; Q271-Y275 PolarHBondContact O-N 3.02Å; Q271-C291 PolarHBondContact O-SG 2.87Å
272	T	97.9	Very high	91	Very high	1 Å²	1	31 Å²	31	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-72.4	-36.6	175.8	-57.5	0	0	0	0	111	L234 A270 Y275 T276 N290 C291	L234-T272 HydrophobicContact CB-CG2 3.84Å; L234-T272 HydrophobicContact CD1-CG2 4.27Å; L234-T272 HydrophobicContact CD2-CG2 4.33Å; L234-T272 HydrophobicContact CG-CG2 4.38Å; A270-T272 VanDerWaalsContact C-N 3.32Å; A270-T272 PolarHBondContact O-N 3.45Å; T272-Y275 WeakPolarHBondContact O-CB 3.36Å; T272-Y275 PolarHBondContact O-N 3.37Å; T272-T276 PolarHBondContact O-N 3.34Å; T272-T276 PolarHBondContact O-OG1 2.96Å; T272-N290 PolarHBondContact OG1-N 3.09Å; T272-C291 PolarHBondContact OG1-N 3.24Å; T272-C291 VanDerWaalsContact OG1-N 3.17Å
273	T	98.7	Very high	93.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.6	-47.1	172.8	-49	0	0	0	0	111.5	T36 I128 I176 L234 A270 Y275 T276 A277	T36-T273 HydrophobicContact CG2-CG2 3.65Å; I128-T273 HydrophobicContact CG2-CG2 3.72Å; I176-T273 HydrophobicContact CG2-CG2 4.09Å; L234-T273 VanDerWaalsContact CD2-CA 3.43Å; L234-T273 HydrophobicContact CD2-CG2 4.37Å; A270-T273 WeakPolarHBondContact O-CA 3.41Å; A270-T273 VanDerWaalsContact O-CB 3.31Å; A270-T273 WeakPolarHBondContact O-CB 3.38Å; A270-T273 PolarHBondContact O-N 2.75Å; T273-Y275 PolarHBondContact O-N 3.46Å; T273-T276 WeakPolarHBondContact CA-OG1 3.45Å; T273-T276 PolarHBondContact O-N 3.07Å; T273-T276 PolarHBondContact O-OG1 3.49Å; T273-A277 PolarHBondContact O-N 3.38Å
274	L	98.7	Very high	94.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.7	-42.8	176.2	-68.6	161.6	0	0	0	111.4	C12 E39 L40 A270 T276 A277 L278	C12-L274 HydrophobicContact CB-CB 4.49Å; E39-L274 HydrophobicContact CB-CD1 3.99Å; E39-L274 HydrophobicContact CB-CD2 3.77Å; E39-L274 VanDerWaalsContact CD-CD1 3.41Å; E39-L274 HydrophobicContact CG-CD1 4.2Å; E39-L274 HydrophobicContact CG-CD2 4.09Å; E39-L274 WeakPolarHBondContact OE2-CD1 3.31Å; L40-L274 HydrophobicContact CD2-CD2 4.16Å; L40-L274 HydrophobicContact CG-CD2 4.22Å; A270-L274 HydrophobicContact CB-CD1 4.07Å; A270-L274 WeakPolarHBondContact O-CG 3.35Å; A270-L274 PolarHBondContact O-N 3.03Å; L274-T276 VanDerWaalsContact C-N 3.33Å; L274-T276 PolarHBondContact O-N 3.05Å; L274-A277 PolarHBondContact O-N 3.48Å; L274-A277 VanDerWaalsContact O-N 3.14Å; L274-L278 HydrophobicContact CB-CD1 4.28Å; L274-L278 VanDerWaalsContact O-CB 3.26Å; L274-L278 WeakPolarHBondContact O-CB 3.27Å; L274-L278 WeakPolarHBondContact O-CD1 3.41Å; L274-L278 WeakPolarHBondContact O-CG 3.4Å; L274-L278 PolarHBondContact O-N 3.34Å
275	Y	98.7	Very high	96.2	Very high	25 Å²	25	31.3 Å²	31.3	10%	0.098	17%	0.171	C	C	.	.	H	α-helix	trans	-55.6	-48.9	173.7	179.8	-94.9	0	0	0	111.5	E3 T4 I14 Q271 T272 T273 A277 L278 T279 Y288 C291	E3-Y275 HydrophobicContact CB-CE2 3.78Å; E3-Y275 WeakPolarHBondContact OE2-CE2 3.42Å; E3-Y275 VanDerWaalsContact OE2-CZ 3.27Å; E3-Y275 PolarHBondContact OE2-OH 3.31Å; T4-Y275 HydrophobicContact CG2-CD2 3.91Å; T4-Y275 HydrophobicContact CG2-CE2 3.94Å; I14-Y275 HydrophobicContact CD1-CD2 3.97Å; I14-Y275 HydrophobicContact CD1-CE2 4.12Å; Q271-Y275 VanDerWaalsContact O-CB 3.29Å; Q271-Y275 WeakPolarHBondContact O-CB 3.37Å; Q271-Y275 PolarHBondContact O-N 3.02Å; T272-Y275 WeakPolarHBondContact O-CB 3.36Å; T272-Y275 PolarHBondContact O-N 3.37Å; T273-Y275 PolarHBondContact O-N 3.46Å; Y275-A277 VanDerWaalsContact C-N 3.29Å; Y275-A277 PolarHBondContact O-N 2.94Å; Y275-L278 PolarHBondContact O-N 2.92Å; Y275-T279 HydrophobicContact CD1-CG2 4.4Å; Y275-T279 HydrophobicContact CE1-CG2 4.02Å; Y275-T279 WeakPolarHBondContact O-CB 3.08Å; Y275-T279 VanDerWaalsContact O-CG2 3.27Å; Y275-T279 WeakPolarHBondContact O-CG2 3.34Å; Y275-T279 PolarHBondContact O-N 2.93Å; Y275-Y288 HydrophobicContact CD1-CD1 4.15Å; Y275-Y288 HydrophobicContact CD1-CE1 4.44Å; Y275-Y288 AromaticContact CE1-CD1 3.87Å; Y275-Y288 HydrophobicContact CE1-CD1 3.87Å; Y275-Y288 AromaticContact CE1-CE1 3.8Å; Y275-Y288 HydrophobicContact CE1-CE1 3.8Å; Y275-C291 HydrophobicContact CD1-CB 4.14Å; Y275-C291 HydrophobicContact CD2-CB 3.89Å; Y275-C291 HydrophobicContact CE2-CB 4.49Å; Y275-C291 HydrophobicContact CG-CB 3.7Å
276	T	98.7	Very high	96.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.3	-28.5	178	52.3	0	0	0	0	113.6	R174 V232 L234 T272 T273 L274 L282 Y288	R174-T276 WeakPolarHBondContact CD-O 3.38Å; R174-T276 PolarHBondContact NH1-O 3.49Å; V232-T276 HydrophobicContact CG2-CG2 4.11Å; L234-T276 HydrophobicContact CD2-CG2 4.04Å; L234-T276 WeakPolarHBondContact CD2-OG1 3.45Å; T272-T276 PolarHBondContact O-N 3.34Å; T272-T276 PolarHBondContact O-OG1 2.96Å; T273-T276 WeakPolarHBondContact CA-OG1 3.45Å; T273-T276 PolarHBondContact O-N 3.07Å; T273-T276 PolarHBondContact O-OG1 3.49Å; L274-T276 VanDerWaalsContact C-N 3.33Å; L274-T276 PolarHBondContact O-N 3.05Å; T276-L282 HydrophobicContact CG2-CD1 4.16Å; T276-Y288 HydrophobicContact CG2-CD1 4.35Å; T276-Y288 HydrophobicContact CG2-CD2 3.77Å; T276-Y288 HydrophobicContact CG2-CE2 4.41Å; T276-Y288 HydrophobicContact CG2-CG 3.73Å
277	A	98.7	Very high	97.2	Very high	2 Å²	2	27.2 Å²	27.2	2%	0.017	15%	0.145	C	C	.	.	H	α-helix	trans	-76.6	-29	174.9	0	0	0	0	0	112.8	L40 F126 R174 I176 T273 L274 Y275	L40-A277 HydrophobicContact CD2-CB 4.23Å; F126-A277 HydrophobicContact CD1-CB 4.29Å; F126-A277 HydrophobicContact CE1-CB 4.33Å; F126-A277 VanDerWaalsContact CE1-O 3.26Å; F126-A277 WeakPolarHBondContact CE1-O 3.2Å; R174-A277 VanDerWaalsContact CZ-O 3.26Å; R174-A277 PolarHBondContact NH1-O 2.9Å; I176-A277 HydrophobicContact CD1-CB 3.82Å; T273-A277 PolarHBondContact O-N 3.38Å; L274-A277 PolarHBondContact O-N 3.48Å; L274-A277 VanDerWaalsContact O-N 3.14Å; Y275-A277 VanDerWaalsContact C-N 3.29Å; Y275-A277 PolarHBondContact O-N 2.94Å
278	L	98.5	Very high	97.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-108	-28	-167	-62.4	169.7	0	0	0	114.9	I14 K16 L18 R43 L274 Y275	I14-L278 HydrophobicContact CB-CB 4.09Å; I14-L278 HydrophobicContact CD1-CB 4.01Å; I14-L278 HydrophobicContact CG2-CB 3.89Å; K16-L278 HydrophobicContact CB-CD2 4.35Å; L18-L278 HydrophobicContact CD1-CD2 3.96Å; L18-L278 HydrophobicContact CD2-CD2 4.08Å; L18-L278 HydrophobicContact CG-CD2 4.17Å; R43-L278 VanDerWaalsContact CZ-CD1 3.43Å; L274-L278 HydrophobicContact CB-CD1 4.28Å; L274-L278 VanDerWaalsContact O-CB 3.26Å; L274-L278 WeakPolarHBondContact O-CB 3.27Å; L274-L278 WeakPolarHBondContact O-CD1 3.41Å; L274-L278 WeakPolarHBondContact O-CG 3.4Å; L274-L278 PolarHBondContact O-N 3.34Å; Y275-L278 PolarHBondContact O-N 2.92Å
279	T	97.8	Very high	97.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.129	C	C	.	.			trans	-65.1	137.1	-175.5	-176.3	0	0	0	0	111.4	E3 R174 Y275 N281 L282	E3-T279 PolarHBondContact OE1-OG1 2.77Å; E3-T279 VanDerWaalsContact OE1-OG1 3.09Å; E3-T279 PolarHBondContact OE2-OG1 3.41Å; R174-T279 PolarHBondContact NH1-O 3.42Å; R174-T279 PolarHBondContact NH2-O 2.91Å; Y275-T279 HydrophobicContact CD1-CG2 4.4Å; Y275-T279 HydrophobicContact CE1-CG2 4.02Å; Y275-T279 WeakPolarHBondContact O-CB 3.08Å; Y275-T279 VanDerWaalsContact O-CG2 3.27Å; Y275-T279 WeakPolarHBondContact O-CG2 3.34Å; Y275-T279 PolarHBondContact O-N 2.93Å; T279-N281 PolarHBondContact OG1-N 2.96Å; T279-N281 VanDerWaalsContact OG1-N 3.16Å; T279-L282 HydrophobicContact CG2-CB 3.96Å; T279-L282 HydrophobicContact CG2-CD1 3.87Å
280	D	96	Very high	97.7	Very high	112 Å²	112	24.8 Å²	24.8	60%	0.599	14%	0.14	S	C	*	.	S	Bend	trans	-77.7	-13.9	172.3	-66.3	-39.4	0	0	0	111.9	K16	K16-D280 IonicContact NZ-OD1 3.48Å; K16-D280 PolarHBondContact NZ-OD1 3.24Å; K16-D280 IonicContact NZ-OD2 3.62Å
281	N	95.3	Very high	97.7	Very high	109 Å²	109	25 Å²	25	58%	0.583	14%	0.141	S	C	*	.			trans	-103.2	39.2	-176.3	-55.9	-66.2	0	0	0	111.7	E3 T279 I283	E3-N281 PolarHBondContact OE1-ND2 2.92Å; E3-N281 VanDerWaalsContact OE1-ND2 3.11Å; T279-N281 PolarHBondContact OG1-N 2.96Å; T279-N281 VanDerWaalsContact OG1-N 3.16Å; N281-I283 PolarHBondContact O-N 3.43Å
282	L	97.6	Very high	97.7	Very high	20 Å²	20	26.9 Å²	26.9	11%	0.105	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-74.5	125.4	179.8	-166	69.8	0	0	0	110	R174 V230 V232 T276 T279 Y288	R174-L282 HydrophobicContact CG-CD2 4.2Å; V230-L282 HydrophobicContact CB-CD2 4.2Å; V230-L282 HydrophobicContact CG1-CD2 3.62Å; V230-L282 HydrophobicContact CG1-CG 4.03Å; V232-L282 HydrophobicContact CG1-CD1 3.86Å; V232-L282 HydrophobicContact CG1-CD2 3.92Å; V232-L282 HydrophobicContact CG1-CG 3.77Å; V232-L282 HydrophobicContact CG2-CD1 4.23Å; V232-L282 HydrophobicContact CG2-CD2 4.23Å; T276-L282 HydrophobicContact CG2-CD1 4.16Å; T279-L282 HydrophobicContact CG2-CB 3.96Å; T279-L282 HydrophobicContact CG2-CD1 3.87Å; L282-Y288 HydrophobicContact CD1-CE2 3.83Å
283	I	98.1	Very high	97.7	Very high	84 Å²	84	30.9 Å²	30.9	43%	0.431	17%	0.173	S	C	.	.	P	Polyproline II helix	trans	-89.9	121.7	179.6	-57	-56	0	0	0	109	V232 N281 G285 G286 Y288 L293	V232-I283 WeakPolarHBondContact CG1-O 3.18Å; N281-I283 PolarHBondContact O-N 3.43Å; I283-G285 PolarHBondContact O-N 3.44Å; I283-G286 WeakPolarHBondContact O-CA 3.45Å; I283-G286 PolarHBondContact O-N 2.84Å; I283-Y288 PolarHBondContact N-OH 2.95Å; I283-L293 HydrophobicContact CB-CD1 4.45Å; I283-L293 HydrophobicContact CB-CD2 4.5Å; I283-L293 HydrophobicContact CG1-CD2 4.13Å
284	P	98.3	Very high	97.7	Very high	80 Å²	80	35.8 Å²	35.8	52%	0.519	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	133.9	174.7	-24.6	34.2	0	0	0	112.6	V230 G286	V230-P284 HydrophobicContact CG1-CB 4.25Å; V230-P284 HydrophobicContact CG1-CG 4.19Å; V230-P284 HydrophobicContact CG2-CG 4.35Å; P284-G286 PolarHBondContact O-N 2.87Å
285	G	98.4	Very high	97.6	Very high	13 Å²	13	43.3 Å²	43.3	13%	0.134	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	4.1	-175.3	0	0	0	0	0	114.5	I218 S221 A231 I283	I218-G285 VanDerWaalsContact CG1-O 3.29Å; I218-G285 WeakPolarHBondContact CG1-O 3.22Å; S221-G285 VanDerWaalsContact CB-N 3.31Å; S221-G285 PolarHBondContact OG-N 2.98Å; A231-G285 WeakPolarHBondContact O-CA 3.48Å; A231-G285 PolarHBondContact O-N 2.68Å; I283-G285 PolarHBondContact O-N 3.44Å
286	G	98.7	Very high	97.5	Very high	5 Å²	5	43.3 Å²	43.3	5%	0.052	23%	0.23	C	C	.	.			trans	-62.8	140	-176.5	0	0	0	0	0	113.3	V232 S233 I283 P284	V232-G286 WeakPolarHBondContact CA-O 3.48Å; V232-G286 WeakPolarHBondContact CB-O 3.45Å; S233-G286 PolarHBondContact N-O 3Å; I283-G286 WeakPolarHBondContact O-CA 3.45Å; I283-G286 PolarHBondContact O-N 2.84Å; P284-G286 PolarHBondContact O-N 2.87Å
287	Y	98.8	Very high	97.4	Very high	6 Å²	6	43.7 Å²	43.7	2%	0.024	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	120.9	167	172.8	-110.4	0	0	0	109.5	H183 V214 S233 H235 K294 P296	H183-Y287 AromaticContact CE1-CE1 3.59Å; H183-Y287 AromaticContact CE1-CE2 3.88Å; H183-Y287 AromaticContact CE1-CZ 3.34Å; H183-Y287 PolarHBondContact CE1-OH 2.84Å; H183-Y287 AromaticContact ND1-CZ 3.68Å; H183-Y287 PolarHBondContact ND1-OH 2.88Å; V214-Y287 HydrophobicContact CG2-CD2 3.94Å; V214-Y287 HydrophobicContact CG2-CE2 4.17Å; S233-Y287 CarbonylContact O-C 3.54Å; S233-Y287 VanDerWaalsContact O-CA 3.32Å; S233-Y287 WeakPolarHBondContact O-CA 3.09Å; H235-Y287 HydrophobicContact CB-CE2 4.46Å; H235-Y287 WeakPolarHBondContact CB-OH 3.38Å; Y287-K294 HydrophobicContact CD1-CB 3.84Å; Y287-K294 HydrophobicContact CE1-CB 4.15Å; Y287-K294 PolarHBondContact O-N 3.47Å; Y287-P296 HydrophobicContact CD1-CB 4.49Å; Y287-P296 HydrophobicContact CG-CB 4.37Å
288	Y	98.6	Very high	97.2	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.016	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	138.5	-175.3	-70.6	-98.8	0	0	0	111.8	V232 S233 L234 H235 Y275 T276 L282 I283 T292 L293	V232-Y288 HydrophobicContact CB-CD2 4.39Å; V232-Y288 HydrophobicContact CB-CE2 4.37Å; V232-Y288 HydrophobicContact CG1-CE2 4.03Å; S233-Y288 PolarHBondContact O-N 3.12Å; L234-Y288 CarbonylContact C-O 3.33Å; L234-Y288 WeakPolarHBondContact CA-O 3.04Å; L234-Y288 VanDerWaalsContact CB-O 3.29Å; L234-Y288 WeakPolarHBondContact CB-O 3.47Å; H235-Y288 PolarHBondContact N-O 2.88Å; Y275-Y288 HydrophobicContact CD1-CD1 4.15Å; Y275-Y288 HydrophobicContact CD1-CE1 4.44Å; Y275-Y288 AromaticContact CE1-CD1 3.87Å; Y275-Y288 HydrophobicContact CE1-CD1 3.87Å; Y275-Y288 AromaticContact CE1-CE1 3.8Å; Y275-Y288 HydrophobicContact CE1-CE1 3.8Å; T276-Y288 HydrophobicContact CG2-CD1 4.35Å; T276-Y288 HydrophobicContact CG2-CD2 3.77Å; T276-Y288 HydrophobicContact CG2-CE2 4.41Å; T276-Y288 HydrophobicContact CG2-CG 3.73Å; L282-Y288 HydrophobicContact CD1-CE2 3.83Å; I283-Y288 PolarHBondContact N-OH 2.95Å; Y288-T292 WeakPolarHBondContact CA-O 3.37Å; Y288-L293 HydrophobicContact CD1-CB 4.41Å; Y288-L293 HydrophobicContact CD2-CD1 4.41Å; Y288-L293 HydrophobicContact CE1-CB 4.02Å; Y288-L293 HydrophobicContact CE1-CD1 4.3Å; Y288-L293 HydrophobicContact CE2-CD1 3.94Å
289	S	96	Very high	97	Very high	18 Å²	18	53.2 Å²	53.2	13%	0.126	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	135	170.1	178.8	0	0	0	0	108.8	C291 T292	S289-C291 VanDerWaalsContact C-N 3.33Å; S289-C291 PolarHBondContact O-N 3.32Å; S289-T292 PolarHBondContact N-O 2.9Å; S289-T292 PolarHBondContact O-N 3.2Å; S289-T292 VanDerWaalsContact O-N 3.14Å; S289-T292 VanDerWaalsContact O-O 3.1Å
290	N	95.2	Very high	97	Very high	42 Å²	42	53.2 Å²	53.2	23%	0.225	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	51.2	-177.1	-161.8	28.4	0	0	0	111.1	W8 R9 K10 T272 T292	W8-N290 PolarHBondContact O-ND2 3.01Å; R9-N290 WeakPolarHBondContact CA-OD1 3.45Å; K10-N290 WeakPolarHBondContact CD-O 3.15Å; K10-N290 PolarHBondContact N-OD1 3.36Å; T272-N290 PolarHBondContact OG1-N 3.09Å; N290-T292 PolarHBondContact O-N 3.27Å; N290-T292 PolarHBondContact O-OG1 3.43Å
291	C	96.6	Very high	96.9	Very high	4 Å²	4	51.5 Å²	51.5	3%	0.027	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	30.7	-177.6	-51.4	0	0	0	0	114.6	T4 K10 Q271 T272 Y275 S289	T4-C291 HydrophobicContact CG2-CB 3.46Å; T4-C291 VanDerWaalsContact CG2-CB 3.46Å; K10-C291 HydrophobicContact CB-CB 4.12Å; Q271-C291 PolarHBondContact O-SG 2.87Å; T272-C291 PolarHBondContact OG1-N 3.24Å; T272-C291 VanDerWaalsContact OG1-N 3.17Å; Y275-C291 HydrophobicContact CD1-CB 4.14Å; Y275-C291 HydrophobicContact CD2-CB 3.89Å; Y275-C291 HydrophobicContact CE2-CB 4.49Å; Y275-C291 HydrophobicContact CG-CB 3.7Å; S289-C291 VanDerWaalsContact C-N 3.33Å; S289-C291 PolarHBondContact O-N 3.32Å
292	T	96.5	Very high	97	Very high	39 Å²	39	52.3 Å²	52.3	24%	0.239	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	138.4	-175.8	-49.6	0	0	0	0	109.3	K10 Y288 S289 N290 K294	K10-T292 PolarHBondContact NZ-OG1 3.35Å; Y288-T292 WeakPolarHBondContact CA-O 3.37Å; S289-T292 PolarHBondContact N-O 2.9Å; S289-T292 PolarHBondContact O-N 3.2Å; S289-T292 VanDerWaalsContact O-N 3.14Å; S289-T292 VanDerWaalsContact O-O 3.1Å; N290-T292 PolarHBondContact O-N 3.27Å; N290-T292 PolarHBondContact O-OG1 3.43Å; T292-K294 PolarHBondContact O-N 2.73Å
293	L	98.1	Very high	96.9	Very high	85 Å²	85	54 Å²	54	45%	0.445	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	134.5	172.5	-174.6	69.7	0	0	0	110.2	I283 Y288	I283-L293 HydrophobicContact CB-CD1 4.45Å; I283-L293 HydrophobicContact CB-CD2 4.5Å; I283-L293 HydrophobicContact CG1-CD2 4.13Å; Y288-L293 HydrophobicContact CD1-CB 4.41Å; Y288-L293 HydrophobicContact CD2-CD1 4.41Å; Y288-L293 HydrophobicContact CE1-CB 4.02Å; Y288-L293 HydrophobicContact CE1-CD1 4.3Å; Y288-L293 HydrophobicContact CE2-CD1 3.94Å
294	K	97.6	Very high	96.8	Very high	104 Å²	104	56.6 Å²	56.6	45%	0.452	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	156.2	179	-65.4	-60.1	179.2	-179.3	0	110.5	Y287 T292	Y287-K294 HydrophobicContact CD1-CB 3.84Å; Y287-K294 HydrophobicContact CE1-CB 4.15Å; Y287-K294 PolarHBondContact O-N 3.47Å; T292-K294 PolarHBondContact O-N 2.73Å
295	K	97.5	Very high	96.7	Very high	158 Å²	158	54.6 Å²	54.6	69%	0.687	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-72.1	127.4	171.9	-169.9	169.9	-177.5	173.8	0	108.9	Q301	K295-Q301 VanDerWaalsContact CE-NE2 3.29Å
296	P	97.2	Very high	96.7	Very high	24 Å²	24	55 Å²	55	16%	0.156	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-75.9	172.3	175.9	31.7	-35.2	0	0	0	111.4	V214 I218 Y287 A300 Q301	V214-P296 HydrophobicContact CG1-CB 3.55Å; I218-P296 HydrophobicContact CD1-CG 4.12Å; Y287-P296 HydrophobicContact CD1-CB 4.49Å; Y287-P296 HydrophobicContact CG-CB 4.37Å; P296-A300 HydrophobicContact CB-CB 4.32Å; P296-Q301 HydrophobicContact CG-CG 4.29Å; P296-Q301 PolarHBondContact O-NE2 2.84Å
297	S	95.4	Very high	96.5	Very high	8 Å²	8	59.9 Å²	59.9	6%	0.056	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-47.7	145.8	171.4	-178.5	0	0	0	0	113.2	H183 Y299 A300 Q301	H183-S297 PolarHBondContact NE2-N 3.4Å; S297-Y299 PolarHBondContact O-N 3.07Å; S297-Y299 VanDerWaalsContact O-N 3.14Å; S297-Y299 WeakPolarHBondContact OG-CD2 3.36Å; S297-Y299 PolarHBondContact OG-N 2.92Å; S297-A300 PolarHBondContact O-N 3.42Å; S297-Q301 PolarHBondContact O-NE2 3.31Å
298	K	95.8	Very high	96.4	Very high	140 Å²	140	63.4 Å²	63.4	61%	0.609	30%	0.296	S	S	*	.	H	α-helix	trans	-57.3	-28.8	176.2	67.9	179.1	-178.3	178.5	0	113.1	A300 Q301	K298-A300 PolarHBondContact O-N 3.1Å; K298-Q301 PolarHBondContact O-N 2.81Å
299	Y	94.5	Very high	96.4	Very high	62 Å²	62	63.4 Å²	63.4	24%	0.243	30%	0.296	C	S	.	.	H	α-helix	trans	-70.8	-17.3	177.9	-59.8	-69.2	0	0	0	113.2	R187 L211 S297	R187-Y299 PolarHBondContact NE-OH 3.09Å; R187-Y299 VanDerWaalsContact NH1-CE2 3.31Å; L211-Y299 HydrophobicContact CD2-CG 4.47Å; S297-Y299 PolarHBondContact O-N 3.07Å; S297-Y299 VanDerWaalsContact O-N 3.14Å; S297-Y299 WeakPolarHBondContact OG-CD2 3.36Å; S297-Y299 PolarHBondContact OG-N 2.92Å
300	A	96.7	Very high	96.4	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-93	-9.6	174.6	0	0	0	0	0	113.3	L211 V214 I215 I218 P296 S297 K298 R306	L211-A300 HydrophobicContact CD1-CB 4.09Å; V214-A300 HydrophobicContact CG1-CB 3.87Å; I215-A300 HydrophobicContact CG1-CB 3.82Å; I218-A300 HydrophobicContact CD1-CB 3.92Å; P296-A300 HydrophobicContact CB-CB 4.32Å; S297-A300 PolarHBondContact O-N 3.42Å; K298-A300 PolarHBondContact O-N 3.1Å; A300-R306 VanDerWaalsContact O-CD 3.28Å; A300-R306 WeakPolarHBondContact O-CD 3.44Å; A300-R306 PolarHBondContact O-NH1 3.14Å
301	Q	94.6	Very high	96.5	Very high	76 Å²	76	65 Å²	65	36%	0.355	30%	0.303	S	S	.	.	H	α-helix	trans	-87.7	-27.3	-171.8	-68.7	171.2	43.8	0	0	113.5	K295 P296 S297 K298 V303 R306	K295-Q301 VanDerWaalsContact CE-NE2 3.29Å; P296-Q301 HydrophobicContact CG-CG 4.29Å; P296-Q301 PolarHBondContact O-NE2 2.84Å; S297-Q301 PolarHBondContact O-NE2 3.31Å; K298-Q301 PolarHBondContact O-N 2.81Å; Q301-V303 PolarHBondContact O-N 3.46Å; Q301-R306 VanDerWaalsContact C-NH1 3.28Å; Q301-R306 PolarHBondContact O-NH1 3.2Å
302	K	96.2	Very high	96.6	Very high	127 Å²	127	66.1 Å²	66.1	55%	0.552	31%	0.308	S	S	*	.			trans	-75.1	122.1	-178.6	-68.1	178.5	172.2	-169.9	0	111.3	E304 D305 R306	K302-E304 PolarHBondContact O-N 3.11Å; K302-D305 HydrophobicContact CB-CB 4.01Å; K302-D305 WeakPolarHBondContact CD-OD2 3.16Å; K302-D305 PolarHBondContact O-N 3.21Å; K302-R306 WeakPolarHBondContact O-CG 3.43Å; K302-R306 PolarHBondContact O-N 2.83Å; K302-R306 VanDerWaalsContact O-N 3.14Å
303	V	96.7	Very high	96.7	Very high	55 Å²	55	64.2 Å²	64.2	33%	0.333	30%	0.296	S	S	.	.	H	α-helix	trans	-63.8	-42.2	-174.6	177.3	0	0	0	0	111	Q301 R306 K307	Q301-V303 PolarHBondContact O-N 3.46Å; V303-R306 PolarHBondContact O-N 2.7Å; V303-K307 HydrophobicContact CG1-CD 4.04Å; V303-K307 HydrophobicContact CG1-CG 4.4Å; V303-K307 WeakPolarHBondContact O-CG 3.38Å; V303-K307 PolarHBondContact O-N 2.75Å
304	E	96.3	Very high	96.6	Very high	138 Å²	138	60.7 Å²	60.7	65%	0.645	28%	0.278	S	S	*	.	H	α-helix	trans	-65.7	-42.2	-177.2	-59.4	68.2	-145.8	0	0	110.9	K302 K307 W308	K302-E304 PolarHBondContact O-N 3.11Å; E304-K307 PolarHBondContact O-N 3.4Å; E304-W308 WeakPolarHBondContact O-CB 3.09Å; E304-W308 PolarHBondContact O-N 3.05Å
305	D	96.4	Very high	96.6	Very high	39 Å²	39	61.7 Å²	61.7	21%	0.209	29%	0.285	C	S	.	.	H	α-helix	trans	-64	-41.2	176.1	-74.9	-22.6	0	0	0	110.9	I188 K302 F309	I188-D305 HydrophobicContact CD1-CB 3.8Å; K302-D305 HydrophobicContact CB-CB 4.01Å; K302-D305 WeakPolarHBondContact CD-OD2 3.16Å; K302-D305 PolarHBondContact O-N 3.21Å; D305-F309 WeakPolarHBondContact O-CB 3.11Å; D305-F309 PolarHBondContact O-N 3.35Å
306	R	96.7	Very high	96.7	Very high	20 Å²	20	56.2 Å²	56.2	8%	0.075	26%	0.263	C	S	.	.	H	α-helix	trans	-65.3	-44.9	176.3	-68.6	-158.8	-57.3	-82.8	3.2	112.7	I215 I218 E219 A300 Q301 K302 V303 F309 W310	I215-R306 HydrophobicContact CG2-CB 4.27Å; I215-R306 HydrophobicContact CG2-CG 3.99Å; I218-R306 VanDerWaalsContact CG2-NE 3.35Å; E219-R306 HydrophobicContact CB-CB 4.35Å; E219-R306 WeakPolarHBondContact OE2-CB 3.47Å; E219-R306 IonicContact OE2-NE 3.37Å; E219-R306 PolarHBondContact OE2-NE 2.61Å; A300-R306 VanDerWaalsContact O-CD 3.28Å; A300-R306 WeakPolarHBondContact O-CD 3.44Å; A300-R306 PolarHBondContact O-NH1 3.14Å; Q301-R306 VanDerWaalsContact C-NH1 3.28Å; Q301-R306 PolarHBondContact O-NH1 3.2Å; K302-R306 WeakPolarHBondContact O-CG 3.43Å; K302-R306 PolarHBondContact O-N 2.83Å; K302-R306 VanDerWaalsContact O-N 3.14Å; V303-R306 PolarHBondContact O-N 2.7Å; R306-F309 PolarHBondContact O-N 3.26Å; R306-W310 WeakPolarHBondContact O-CB 3.43Å; R306-W310 PolarHBondContact O-N 2.95Å
307	K	96.2	Very high	96.7	Very high	109 Å²	109	55.3 Å²	55.3	47%	0.474	26%	0.256	S	S	.	.	H	α-helix	trans	-62.8	-43.5	177.4	-74.4	179.5	177.2	-179.4	0	111.5	V303 E304 W310 N311	V303-K307 HydrophobicContact CG1-CD 4.04Å; V303-K307 HydrophobicContact CG1-CG 4.4Å; V303-K307 WeakPolarHBondContact O-CG 3.38Å; V303-K307 PolarHBondContact O-N 2.75Å; E304-K307 PolarHBondContact O-N 3.4Å; K307-W310 PolarHBondContact O-N 2.9Å; K307-N311 WeakPolarHBondContact O-CB 3.37Å; K307-N311 VanDerWaalsContact O-CG 3.25Å; K307-N311 PolarHBondContact O-N 3.05Å
308	W	96.4	Very high	96.8	Very high	79 Å²	79	62 Å²	62	30%	0.299	29%	0.292	S	S	.	.	H	α-helix	trans	-61.7	-47.3	174.5	179.2	84.3	0	0	0	111.2	I188 K190 L193 E304 W310 N311 K312	I188-W308 HydrophobicContact CG2-CE3 4.13Å; I188-W308 HydrophobicContact CG2-CZ3 3.6Å; K190-W308 HydrophobicContact CB-CH2 4.11Å; K190-W308 HydrophobicContact CB-CZ2 4.48Å; K190-W308 HydrophobicContact CD-CH2 3.91Å; K190-W308 HydrophobicContact CD-CZ2 3.98Å; K190-W308 HydrophobicContact CD-CZ3 4.23Å; K190-W308 HydrophobicContact CG-CH2 3.51Å; K190-W308 HydrophobicContact CG-CZ2 4.03Å; K190-W308 HydrophobicContact CG-CZ3 3.89Å; L193-W308 HydrophobicContact CD2-CE3 4.29Å; L193-W308 HydrophobicContact CD2-CH2 3.57Å; L193-W308 HydrophobicContact CD2-CZ3 3.28Å; E304-W308 WeakPolarHBondContact O-CB 3.09Å; E304-W308 PolarHBondContact O-N 3.05Å; W308-W310 PolarHBondContact O-N 2.62Å; W308-N311 PolarHBondContact O-N 3.34Å; W308-K312 HydrophobicContact CH2-CB 4.44Å; W308-K312 HydrophobicContact CH2-CG 4.25Å; W308-K312 HydrophobicContact CZ2-CB 4.34Å; W308-K312 HydrophobicContact CZ2-CG 4.22Å; W308-K312 WeakPolarHBondContact O-CB 3.17Å; W308-K312 PolarHBondContact O-N 3.46Å
309	F	97.8	Very high	96.8	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.018	27%	0.27	C	S	.	.	H	α-helix	trans	-57.9	-47.3	178.6	-169.1	-88.7	0	0	0	111.5	Y153 I188 L193 A212 I215 D305 R306 K312 T313	Y153-F309 HydrophobicContact CD1-CZ 4.39Å; Y153-F309 AromaticContact CE1-CE1 3.61Å; Y153-F309 HydrophobicContact CE1-CE1 3.61Å; Y153-F309 AromaticContact CE1-CZ 3.77Å; Y153-F309 HydrophobicContact CE1-CZ 3.77Å; Y153-F309 HydrophobicContact CE2-CE1 4.05Å; Y153-F309 AromaticContact CZ-CE1 3.33Å; Y153-F309 AromaticContact CZ-CZ 3.98Å; Y153-F309 WeakPolarHBondContact OH-CE1 3.44Å; I188-F309 HydrophobicContact CG1-CD2 4.26Å; I188-F309 HydrophobicContact CG2-CD2 4.12Å; L193-F309 HydrophobicContact CB-CE2 4.16Å; L193-F309 HydrophobicContact CD1-CD2 4.15Å; L193-F309 HydrophobicContact CD1-CE1 4.42Å; L193-F309 HydrophobicContact CD1-CE2 4Å; L193-F309 HydrophobicContact CD1-CG 4.37Å; L193-F309 HydrophobicContact CD1-CZ 4.11Å; L193-F309 HydrophobicContact CD2-CD2 3.53Å; L193-F309 HydrophobicContact CD2-CE2 3.68Å; L193-F309 HydrophobicContact CD2-CG 4.3Å; L193-F309 HydrophobicContact CG-CD2 4.37Å; L193-F309 HydrophobicContact CG-CE2 4.17Å; A212-F309 HydrophobicContact CB-CE1 3.92Å; A212-F309 HydrophobicContact CB-CZ 3.47Å; A212-F309 VanDerWaalsContact CB-CZ 3.47Å; I215-F309 HydrophobicContact CB-CD1 4.32Å; I215-F309 HydrophobicContact CB-CE1 4.45Å; I215-F309 HydrophobicContact CD1-CD2 4.26Å; I215-F309 HydrophobicContact CD1-CE2 4.42Å; I215-F309 HydrophobicContact CD1-CG 4.4Å; I215-F309 HydrophobicContact CG2-CB 4.09Å; I215-F309 HydrophobicContact CG2-CD1 3.51Å; I215-F309 HydrophobicContact CG2-CE1 4.1Å; I215-F309 HydrophobicContact CG2-CG 3.88Å; D305-F309 WeakPolarHBondContact O-CB 3.11Å; D305-F309 PolarHBondContact O-N 3.35Å; R306-F309 PolarHBondContact O-N 3.26Å; F309-K312 PolarHBondContact O-N 2.86Å; F309-T313 PolarHBondContact O-N 3.4Å; F309-T313 PolarHBondContact O-OG1 2.86Å
310	W	97.4	Very high	96.5	Very high	3 Å²	3	62.7 Å²	62.7	1%	0.011	30%	0.297	C	S	.	.	H	α-helix	trans	-58.4	-53.4	176.1	179.1	-76.8	0	0	0	112.4	F157 E161 H216 E219 L220 R223 R306 K307 W308 K312 T313 C314 C321	F157-W310 HydrophobicContact CE2-CD2 4.11Å; F157-W310 AromaticContact CE2-CE3 3.68Å; F157-W310 HydrophobicContact CE2-CE3 3.68Å; F157-W310 AromaticContact CE2-CH2 4Å; F157-W310 HydrophobicContact CE2-CH2 4Å; F157-W310 HydrophobicContact CE2-CZ2 4.42Å; F157-W310 AromaticContact CE2-CZ3 3.62Å; F157-W310 HydrophobicContact CE2-CZ3 3.62Å; F157-W310 AromaticContact CZ-CD2 3.98Å; F157-W310 HydrophobicContact CZ-CD2 3.98Å; F157-W310 AromaticContact CZ-CE2 3.93Å; F157-W310 AromaticContact CZ-CE3 3.99Å; F157-W310 HydrophobicContact CZ-CE3 3.99Å; F157-W310 AromaticContact CZ-CH2 3.88Å; F157-W310 HydrophobicContact CZ-CH2 3.88Å; F157-W310 AromaticContact CZ-CZ2 3.9Å; F157-W310 HydrophobicContact CZ-CZ2 3.9Å; F157-W310 AromaticContact CZ-CZ3 3.95Å; F157-W310 HydrophobicContact CZ-CZ3 3.95Å; E161-W310 VanDerWaalsContact OE1-CH2 3.26Å; E161-W310 WeakPolarHBondContact OE1-CH2 3.46Å; H216-W310 AromaticContact CD2-CZ3 3.78Å; E219-W310 HydrophobicContact CB-CE3 4.06Å; E219-W310 HydrophobicContact CG-CB 3.94Å; E219-W310 HydrophobicContact CG-CD2 4.04Å; E219-W310 HydrophobicContact CG-CE3 3.68Å; E219-W310 HydrophobicContact CG-CG 4.16Å; L220-W310 HydrophobicContact CB-CH2 4.47Å; L220-W310 HydrophobicContact CB-CZ3 3.98Å; L220-W310 HydrophobicContact CD1-CH2 3.61Å; L220-W310 HydrophobicContact CD1-CZ3 3.99Å; R223-W310 VanDerWaalsContact CD-CE2 3.5Å; R223-W310 VanDerWaalsContact NH1-NE1 3.18Å; R306-W310 WeakPolarHBondContact O-CB 3.43Å; R306-W310 PolarHBondContact O-N 2.95Å; K307-W310 PolarHBondContact O-N 2.9Å; W308-W310 PolarHBondContact O-N 2.62Å; W310-K312 VanDerWaalsContact C-N 3.27Å; W310-K312 PolarHBondContact O-N 3.12Å; W310-T313 WeakPolarHBondContact O-CB 3.42Å; W310-T313 PolarHBondContact O-N 3.3Å; W310-T313 VanDerWaalsContact O-N 3.15Å; W310-C314 PolarHBondContact NE1-SG 3.15Å; W310-C314 VanDerWaalsContact NE1-SG 3.44Å; W310-C314 PolarHBondContact O-N 2.79Å; W310-C314 PolarHBondContact O-SG 2.62Å; W310-C321 HydrophobicContact CZ2-CB 3.93Å
311	N	96.3	Very high	95.7	Very high	91 Å²	91	62.9 Å²	62.9	49%	0.487	30%	0.299	S	S	.	.	H	α-helix	trans	-61.1	-40.7	-177.7	-69.2	-8.6	0	0	0	111	R223 K307 W308 C314 E315	R223-N311 PolarHBondContact NH2-OD1 3.39Å; K307-N311 WeakPolarHBondContact O-CB 3.37Å; K307-N311 VanDerWaalsContact O-CG 3.25Å; K307-N311 PolarHBondContact O-N 3.05Å; W308-N311 PolarHBondContact O-N 3.34Å; N311-C314 PolarHBondContact O-N 3.2Å; N311-E315 PolarHBondContact O-N 3.29Å
312	K	97.9	Very high	94.4	Very high	27 Å²	27	65.8 Å²	65.8	12%	0.117	32%	0.316	C	S	.	.	H	α-helix	trans	-66.5	-38	177.3	-171.5	66.5	-168	175.5	0	112.2	P191 L193 W308 F309 W310 E315 L316	P191-K312 WeakPolarHBondContact O-CE 3.09Å; P191-K312 WeakPolarHBondContact O-CG 3.49Å; L193-K312 HydrophobicContact CD1-CB 4.22Å; L193-K312 HydrophobicContact CD1-CG 4.23Å; L193-K312 HydrophobicContact CD2-CB 4.44Å; L193-K312 HydrophobicContact CD2-CG 4.28Å; L193-K312 HydrophobicContact CG-CB 4.45Å; L193-K312 HydrophobicContact CG-CG 4.06Å; W308-K312 HydrophobicContact CH2-CB 4.44Å; W308-K312 HydrophobicContact CH2-CG 4.25Å; W308-K312 HydrophobicContact CZ2-CB 4.34Å; W308-K312 HydrophobicContact CZ2-CG 4.22Å; W308-K312 WeakPolarHBondContact O-CB 3.17Å; W308-K312 PolarHBondContact O-N 3.46Å; F309-K312 PolarHBondContact O-N 2.86Å; W310-K312 VanDerWaalsContact C-N 3.27Å; W310-K312 PolarHBondContact O-N 3.12Å; K312-E315 WeakPolarHBondContact CD-OE2 3.16Å; K312-E315 VanDerWaalsContact NZ-CD 3.29Å; K312-E315 IonicContact NZ-OE1 2.7Å; K312-E315 PolarHBondContact NZ-OE1 3.29Å; K312-E315 IonicContact NZ-OE2 3.31Å; K312-E315 PolarHBondContact NZ-OE2 2.93Å; K312-E315 WeakPolarHBondContact O-CB 3.22Å; K312-E315 PolarHBondContact O-N 3Å; K312-L316 HydrophobicContact CG-CD1 4.14Å; K312-L316 HydrophobicContact CG-CG 4.43Å; K312-L316 WeakPolarHBondContact O-CB 3.22Å; K312-L316 VanDerWaalsContact O-CG 3.26Å; K312-L316 WeakPolarHBondContact O-CG 3.18Å; K312-L316 PolarHBondContact O-N 3.47Å
313	T	98.6	Very high	92.9	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.4	-44.2	173	-62.9	0	0	0	0	111.9	Y153 F154 F157 L193 F309 W310 E315 L316 L317	Y153-T313 HydrophobicContact CE1-CG2 3.91Å; Y153-T313 WeakPolarHBondContact CE1-OG1 3.41Å; Y153-T313 WeakPolarHBondContact OH-CB 3.32Å; Y153-T313 VanDerWaalsContact OH-CG2 3.28Å; Y153-T313 WeakPolarHBondContact OH-CG2 3.39Å; Y153-T313 PolarHBondContact OH-OG1 2.96Å; F154-T313 HydrophobicContact CD1-CG2 4.11Å; F154-T313 HydrophobicContact CE1-CG2 4.31Å; F157-T313 HydrophobicContact CB-CG2 4.31Å; F157-T313 HydrophobicContact CD1-CG2 3.56Å; F157-T313 HydrophobicContact CD2-CG2 3.81Å; F157-T313 HydrophobicContact CE1-CG2 3.7Å; F157-T313 HydrophobicContact CE2-CG2 3.94Å; F157-T313 HydrophobicContact CG-CG2 3.62Å; F157-T313 HydrophobicContact CZ-CG2 3.88Å; L193-T313 WeakPolarHBondContact CD1-OG1 3.2Å; F309-T313 PolarHBondContact O-N 3.4Å; F309-T313 PolarHBondContact O-OG1 2.86Å; W310-T313 WeakPolarHBondContact O-CB 3.42Å; W310-T313 PolarHBondContact O-N 3.3Å; W310-T313 VanDerWaalsContact O-N 3.15Å; T313-E315 VanDerWaalsContact C-N 3.34Å; T313-E315 PolarHBondContact O-N 3.04Å; T313-L316 PolarHBondContact O-N 3.33Å; T313-L317 HydrophobicContact CG2-CD1 3.73Å; T313-L317 HydrophobicContact CG2-CG 4.36Å; T313-L317 WeakPolarHBondContact O-CB 3.26Å; T313-L317 WeakPolarHBondContact O-CG 3.49Å; T313-L317 PolarHBondContact O-N 3.5Å
314	C	97.9	Very high	90.5	Very high	10 Å²	10	70.3 Å²	70.3	7%	0.068	33%	0.33	C	S	.	.	H	α-helix	trans	-64.5	-39.2	178.2	-60.8	0	0	0	0	112.1	W310 N311 N318 I319 C321	W310-C314 PolarHBondContact NE1-SG 3.15Å; W310-C314 VanDerWaalsContact NE1-SG 3.44Å; W310-C314 PolarHBondContact O-N 2.79Å; W310-C314 PolarHBondContact O-SG 2.62Å; N311-C314 PolarHBondContact O-N 3.2Å; C314-N318 PolarHBondContact O-N 3.46Å; C314-I319 HydrophobicContact CB-CG1 4.32Å; C314-I319 PolarHBondContact O-N 3.28Å; C314-C321 HydrophobicContact CB-CB 3.94Å; C314-C321 WeakPolarHBondContact CB-SG 3.37Å; C314-C321 WeakPolarHBondContact SG-CB 3.3Å; C314-C321 CovalentContact SG-SG 2.02Å; C314-C321 PolarHBondContact SG-SG 3.33Å
315	E	97.3	Very high	88	Confident	125 Å²	125	71.7 Å²	71.7	58%	0.584	35%	0.348	S	S	*	.	H	α-helix	trans	-59.8	-52.2	172	-174.1	-163.2	138.3	0	0	111.3	N311 K312 T313 L317 N318	N311-E315 PolarHBondContact O-N 3.29Å; K312-E315 WeakPolarHBondContact CD-OE2 3.16Å; K312-E315 VanDerWaalsContact NZ-CD 3.29Å; K312-E315 IonicContact NZ-OE1 2.7Å; K312-E315 PolarHBondContact NZ-OE1 3.29Å; K312-E315 IonicContact NZ-OE2 3.31Å; K312-E315 PolarHBondContact NZ-OE2 2.93Å; K312-E315 WeakPolarHBondContact O-CB 3.22Å; K312-E315 PolarHBondContact O-N 3Å; T313-E315 VanDerWaalsContact C-N 3.34Å; T313-E315 PolarHBondContact O-N 3.04Å; E315-L317 VanDerWaalsContact C-N 3.29Å; E315-L317 PolarHBondContact O-N 2.68Å; E315-N318 PolarHBondContact O-N 2.97Å
316	L	98.3	Very high	87.5	Confident	44 Å²	44	73.3 Å²	73.3	23%	0.23	35%	0.354	C	S	.	.	H	α-helix	trans	-61.8	-35.6	-179.2	-73.9	171.4	0	0	0	112.8	F145 F154 D192 L193 K312 T313 N318	F145-L316 HydrophobicContact CE1-CB 4.14Å; F154-L316 HydrophobicContact CE1-CB 4.48Å; F154-L316 HydrophobicContact CE1-CD1 3.92Å; F154-L316 HydrophobicContact CZ-CD1 3.94Å; D192-L316 WeakPolarHBondContact O-CD1 3.28Å; L193-L316 HydrophobicContact CD1-CD1 4.19Å; L193-L316 HydrophobicContact CG-CD1 4.19Å; K312-L316 HydrophobicContact CG-CD1 4.14Å; K312-L316 HydrophobicContact CG-CG 4.43Å; K312-L316 WeakPolarHBondContact O-CB 3.22Å; K312-L316 VanDerWaalsContact O-CG 3.26Å; K312-L316 WeakPolarHBondContact O-CG 3.18Å; K312-L316 PolarHBondContact O-N 3.47Å; T313-L316 PolarHBondContact O-N 3.33Å; L316-N318 VanDerWaalsContact C-N 3.3Å
317	L	98.3	Very high	87.1	Confident	4 Å²	4	76.1 Å²	76.1	2%	0.021	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.7	176.9	-70.7	175	0	0	0	113.7	L107 F145 F154 F157 L158 T313 E315 I319	L107-L317 HydrophobicContact CD1-CD2 3.86Å; L107-L317 HydrophobicContact CD2-CD2 3.71Å; L107-L317 HydrophobicContact CG-CD2 4.45Å; F145-L317 HydrophobicContact CE2-CD2 4.24Å; F145-L317 HydrophobicContact CZ-CD2 4.11Å; F154-L317 HydrophobicContact CB-CD2 4.18Å; F154-L317 HydrophobicContact CD1-CD2 4.49Å; F154-L317 HydrophobicContact CD1-CG 4.43Å; F157-L317 HydrophobicContact CB-CD1 4.33Å; F157-L317 HydrophobicContact CD1-CD1 3.44Å; F157-L317 VanDerWaalsContact CD1-CD1 3.44Å; F157-L317 HydrophobicContact CE1-CD1 4.14Å; F157-L317 HydrophobicContact CG-CD1 4.22Å; L158-L317 HydrophobicContact CB-CD1 4.14Å; T313-L317 HydrophobicContact CG2-CD1 3.73Å; T313-L317 HydrophobicContact CG2-CG 4.36Å; T313-L317 WeakPolarHBondContact O-CB 3.26Å; T313-L317 WeakPolarHBondContact O-CG 3.49Å; T313-L317 PolarHBondContact O-N 3.5Å; E315-L317 VanDerWaalsContact C-N 3.29Å; E315-L317 PolarHBondContact O-N 2.68Å; L317-I319 VanDerWaalsContact C-N 3.31Å; L317-I319 HydrophobicContact CB-CD1 4.19Å; L317-I319 HydrophobicContact CB-CG1 3.96Å; L317-I319 HydrophobicContact CD1-CD1 4.18Å; L317-I319 PolarHBondContact O-N 3.17Å
318	N	96.2	Very high	86.5	Confident	148 Å²	148	74.3 Å²	74.3	79%	0.791	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	50.3	-173.5	-169.4	28	0	0	0	112.5	C314 E315 L316	C314-N318 PolarHBondContact O-N 3.46Å; E315-N318 PolarHBondContact O-N 2.97Å; L316-N318 VanDerWaalsContact C-N 3.3Å
319	I	95.5	Very high	86	Confident	31 Å²	31	74 Å²	74	16%	0.159	37%	0.367	C	S	.	.			trans	-125.7	148.4	176.2	60.8	175.8	0	0	0	111.2	F157 L158 E161 C314 L317	F157-I319 HydrophobicContact CD1-CD1 4.29Å; F157-I319 HydrophobicContact CE1-CD1 3.99Å; L158-I319 HydrophobicContact CD1-CD1 4.02Å; L158-I319 HydrophobicContact CD1-CG2 3.86Å; E161-I319 HydrophobicContact CB-CD1 4.18Å; E161-I319 HydrophobicContact CG-CD1 4.02Å; C314-I319 HydrophobicContact CB-CG1 4.32Å; C314-I319 PolarHBondContact O-N 3.28Å; L317-I319 VanDerWaalsContact C-N 3.31Å; L317-I319 HydrophobicContact CB-CD1 4.19Å; L317-I319 HydrophobicContact CB-CG1 3.96Å; L317-I319 HydrophobicContact CD1-CD1 4.18Å; L317-I319 PolarHBondContact O-N 3.17Å
320	K	89.4	Confident	85.2	Confident	186 Å²	186	78.4 Å²	78.4	81%	0.809	39%	0.389	S	S	*	.			trans	-85	120.7	171.3	-68.3	-174.7	178.6	-175.9	0	109.1
321	C	80.6	Confident	84.4	Confident	5 Å²	5	83.4 Å²	83.4	3%	0.034	41%	0.414	C	S	.	.			trans	-109.7	25.3	176.4	-57.6	0	0	0	0	112.2	R223 W310 C314 Y323	R223-C321 PolarHBondContact NH1-O 3.39Å; W310-C321 HydrophobicContact CZ2-CB 3.93Å; C314-C321 HydrophobicContact CB-CB 3.94Å; C314-C321 WeakPolarHBondContact CB-SG 3.37Å; C314-C321 WeakPolarHBondContact SG-CB 3.3Å; C314-C321 CovalentContact SG-SG 2.02Å; C314-C321 PolarHBondContact SG-SG 3.33Å; C321-Y323 PolarHBondContact O-N 2.69Å
322	D	67.2	Low	83.6	Confident	136 Å²	136	82.9 Å²	82.9	73%	0.727	41%	0.409	S	S	*	.			trans	-81.2	70.4	-177.1	-62.2	-32	0	0	0	110.2	K324	D322-K324 PolarHBondContact O-N 3.29Å
323	Y	64.3	Low	82.5	Confident	74 Å²	74	87.2 Å²	87.2	29%	0.29	43%	0.431	S	S	.	.			trans	-76.9	107.9	158.9	-48.8	-68.2	0	0	0	106.3	E161 L164 C321 V325	E161-Y323 WeakPolarHBondContact OE2-CE2 3.4Å; E161-Y323 VanDerWaalsContact OE2-CZ 3.25Å; E161-Y323 PolarHBondContact OE2-OH 2.81Å; L164-Y323 HydrophobicContact CD1-CE1 4.33Å; L164-Y323 HydrophobicContact CD1-CE2 3.71Å; L164-Y323 WeakPolarHBondContact CD1-OH 3.42Å; C321-Y323 PolarHBondContact O-N 2.69Å; Y323-V325 PolarHBondContact O-N 3Å
324	K	46.7	Very low	81.1	Confident	203 Å²	203	94.4 Å²	94.4	88%	0.883	47%	0.467	S	S	*	.			trans	-57.8	122.3	157.2	-73.8	-173.8	176.3	-177.3	0	106.3	D322	D322-K324 PolarHBondContact O-N 3.29Å
325	V	41.9	Very low	79.6	Confident	167 Å²	167	102.1 Å²	102.1	100%	1.012	50%	0.504	S	S	*	.			trans	-58.7	0	154.5	-176.9	0	0	0	0	107.5	Y323	Y323-V325 PolarHBondContact O-N 3Å

Retrieved 325 of 325 residues in 125.3 ms (Link to these results)

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