A0A077Z4I3_TRITR Loading...

Metastasis associated protein MTA1

AlphaFold DB , UniProt , Accession A0A077Z4I3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 579 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	44.8	Very low	67.7	Low	219 Å²	219	92.5 Å²	92.5	100%	1.079	51%	0.509	S	S	*	.				0	-44.4	0	-71.3	-171.8	-166.2	0	0	113.9	K3 M4 A5	M1-K3 PolarHBondContact O-N 2.83Å; M1-M4 PolarHBondContact O-N 3.06Å; M1-M4 VanDerWaalsContact O-N 3.11Å; M1-A5 PolarHBondContact O-N 3.06Å
2	A	46.8	Very low	69.6	Low	86 Å²	86	90.2 Å²	90.2	71%	0.711	50%	0.5	S	S	*	.	H	α-helix	trans	-55.6	-38.5	-176.9	0	0	0	0	0	115.5	M4 A5 A6	A2-M4 PolarHBondContact O-N 3.26Å; A2-A5 PolarHBondContact O-N 2.73Å; A2-A6 PolarHBondContact O-N 3.25Å
3	K	50.4	Low	71.2	Confident	196 Å²	196	85.5 Å²	85.5	85%	0.852	48%	0.484	S	S	*	.	H	α-helix	trans	-65.2	-32.5	177.2	-76.1	-173	176.9	179.9	0	113.9	M1	M1-K3 PolarHBondContact O-N 2.83Å
4	M	49.7	Very low	72.7	Confident	154 Å²	154	81.9 Å²	81.9	76%	0.759	46%	0.463	S	S	*	.	H	α-helix	trans	-75.4	-32.1	177.4	-78.7	178.6	170.1	0	0	112	M1 A2	M1-M4 PolarHBondContact O-N 3.06Å; M1-M4 VanDerWaalsContact O-N 3.11Å; A2-M4 PolarHBondContact O-N 3.26Å
5	A	58.4	Low	74	Confident	42 Å²	42	80.4 Å²	80.4	35%	0.347	45%	0.448	S	S	.	.	H	α-helix	trans	-66	-39.8	176.8	0	0	0	0	0	111.8	M1 A2 A7 N8 M9	M1-A5 PolarHBondContact O-N 3.06Å; A2-A5 PolarHBondContact O-N 2.73Å; A5-A7 PolarHBondContact O-N 3.02Å; A5-N8 PolarHBondContact O-N 2.58Å; A5-M9 WeakPolarHBondContact O-CG 3.49Å; A5-M9 PolarHBondContact O-N 3.08Å
6	A	66.6	Low	75.2	Confident	59 Å²	59	75.4 Å²	75.4	49%	0.488	42%	0.42	S	S	.	.	H	α-helix	trans	-64.5	-35.2	-178.4	0	0	0	0	0	113.6	A2 N8 M9	A2-A6 PolarHBondContact O-N 3.25Å; A6-N8 PolarHBondContact O-N 3.27Å; A6-M9 PolarHBondContact O-N 2.88Å
7	A	73	Confident	76.2	Confident	63 Å²	63	72.4 Å²	72.4	52%	0.521	40%	0.401	S	S	.	.	H	α-helix	trans	-66.4	-27	179.8	0	0	0	0	0	113.1	A5	A5-A7 PolarHBondContact O-N 3.02Å
8	N	84.1	Confident	77.1	Confident	27 Å²	27	68.4 Å²	68.4	14%	0.144	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	5.6	-178.4	-74.4	-20.3	0	0	0	113	A5 A6 Y10 Y373 I374 T376	A5-N8 PolarHBondContact O-N 2.58Å; A6-N8 PolarHBondContact O-N 3.27Å; N8-Y10 WeakPolarHBondContact O-CD2 3.41Å; N8-Y10 WeakPolarHBondContact O-CE2 3.49Å; N8-Y373 HydrophobicContact CB-CD2 3.87Å; N8-Y373 HydrophobicContact CB-CE2 3.38Å; N8-Y373 WeakPolarHBondContact O-CA 3.25Å; N8-I374 WeakPolarHBondContact CB-O 3.35Å; N8-I374 PolarHBondContact O-N 3.26Å; N8-T376 PolarHBondContact ND2-OG1 2.85Å; N8-T376 VanDerWaalsContact ND2-OG1 3.07Å; N8-T376 PolarHBondContact OD1-OG1 2.85Å
9	M	88.2	Confident	77.8	Confident	49 Å²	49	66.1 Å²	66.1	24%	0.241	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	120.9	176.1	-75.8	-176.1	64.4	0	0	111.3	A5 A6 K137 Q371 V372 Y373	A5-M9 WeakPolarHBondContact O-CG 3.49Å; A5-M9 PolarHBondContact O-N 3.08Å; A6-M9 PolarHBondContact O-N 2.88Å; M9-K137 WeakPolarHBondContact O-CE 3.25Å; M9-K137 PolarHBondContact O-NZ 2.82Å; M9-Q371 HydrophobicContact CE-CG 4.39Å; M9-V372 WeakPolarHBondContact CA-O 3.38Å; M9-Y373 HydrophobicContact CG-CD2 4.07Å
10	Y	91.5	Very high	78.1	Confident	6 Å²	6	66 Å²	66	2%	0.024	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137.9	-179.5	-59.1	-89	0	0	0	110.3	N8 V16 I134 G136 K137 Q371 V372 I374	N8-Y10 WeakPolarHBondContact O-CD2 3.41Å; N8-Y10 WeakPolarHBondContact O-CE2 3.49Å; Y10-V16 HydrophobicContact CD1-CG1 3.57Å; Y10-V16 HydrophobicContact CE1-CG1 3.98Å; Y10-I134 HydrophobicContact CD1-CG2 3.6Å; Y10-I134 HydrophobicContact CD2-CG2 4.33Å; Y10-I134 HydrophobicContact CE1-CG2 3.22Å; Y10-I134 HydrophobicContact CE2-CG2 4.04Å; Y10-I134 HydrophobicContact CG-CG2 4.12Å; Y10-I134 VanDerWaalsContact CZ-CG2 3.45Å; Y10-G136 WeakPolarHBondContact OH-CA 3.21Å; Y10-G136 PolarHBondContact OH-N 3.44Å; Y10-K137 HydrophobicContact CD1-CG 3.8Å; Y10-K137 HydrophobicContact CE1-CG 3.7Å; Y10-Q371 CarbonylContact O-C 3.52Å; Y10-Q371 WeakPolarHBondContact O-CA 3.44Å; Y10-V372 PolarHBondContact N-O 3.19Å; Y10-V372 PolarHBondContact O-N 3.28Å; Y10-I374 HydrophobicContact CD2-CB 4.15Å; Y10-I374 HydrophobicContact CD2-CD1 3.56Å; Y10-I374 HydrophobicContact CD2-CG1 3.93Å; Y10-I374 HydrophobicContact CE2-CB 3.9Å; Y10-I374 HydrophobicContact CE2-CD1 3.84Å; Y10-I374 HydrophobicContact CE2-CG1 4.16Å; Y10-I374 HydrophobicContact CG-CD1 4.28Å
11	R	91.5	Very high	78.4	Confident	116 Å²	116	66.3 Å²	66.3	44%	0.438	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	155.8	-176.5	-59.1	179	-177.3	-76	-6.6	110.8	G13 D14 K370 Q371	R11-G13 PolarHBondContact O-N 2.93Å; R11-D14 PolarHBondContact N-OD2 3.37Å; R11-D14 WeakPolarHBondContact O-CB 3.32Å; R11-D14 PolarHBondContact O-N 3.49Å; R11-D14 VanDerWaalsContact O-N 3.12Å; R11-K370 WeakPolarHBondContact CA-O 3.48Å; R11-Q371 HydrophobicContact CG-CB 4.15Å; R11-Q371 VanDerWaalsContact CZ-OE1 3.29Å
12	V	90.5	Very high	80.2	Confident	65 Å²	65	58 Å²	58	39%	0.394	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	131.5	166.5	178	0	0	0	0	108.9	I31 E32 L34 K370	V12-I31 HydrophobicContact CG2-CG2 4.38Å; V12-E32 WeakPolarHBondContact CG1-O 3.41Å; V12-L34 HydrophobicContact CG2-CD1 4.18Å; V12-L34 HydrophobicContact CG2-CG 4.15Å; V12-K370 PolarHBondContact N-O 3.48Å; V12-K370 VanDerWaalsContact N-O 3.08Å
13	G	90.1	Very high	81.9	Confident	29 Å²	29	57.4 Å²	57.4	30%	0.299	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.9	-18.5	-173.5	0	0	0	0	0	114.8	R11 I31	R11-G13 PolarHBondContact O-N 2.93Å; G13-I31 PolarHBondContact N-O 3.46Å
14	D	91.9	Very high	83.6	Confident	36 Å²	36	48.8 Å²	48.8	19%	0.193	29%	0.291	C	S	.	.			trans	-67.1	140.5	178.1	-72	-18.9	0	0	0	111	R11 V16 I31 K137	R11-D14 PolarHBondContact N-OD2 3.37Å; R11-D14 WeakPolarHBondContact O-CB 3.32Å; R11-D14 PolarHBondContact O-N 3.49Å; R11-D14 VanDerWaalsContact O-N 3.12Å; D14-V16 HydrophobicContact CB-CG1 4.3Å; D14-I31 HydrophobicContact CB-CD1 4.48Å; D14-I31 PolarHBondContact O-N 3.13Å; D14-K137 IonicContact OD1-NZ 3.72Å; D14-K137 WeakPolarHBondContact OD2-CE 3.34Å; D14-K137 IonicContact OD2-NZ 2.67Å; D14-K137 PolarHBondContact OD2-NZ 3.23Å
15	Y	92.4	Very high	85.5	Confident	59 Å²	59	41.8 Å²	41.8	23%	0.231	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	136	164.8	-60.3	-94.2	0	0	0	109.2	R29 R30 F49 K137 C138 V140	Y15-R29 CarbonylContact C-O 3.49Å; Y15-R29 WeakPolarHBondContact CA-O 3.34Å; Y15-R30 HydrophobicContact CD1-CB 3.89Å; Y15-R30 HydrophobicContact CD1-CG 4.25Å; Y15-R30 HydrophobicContact CE1-CB 3.9Å; Y15-R30 HydrophobicContact CE1-CG 4.06Å; Y15-F49 HydrophobicContact CD1-CE2 4.12Å; Y15-F49 HydrophobicContact CD1-CZ 4.27Å; Y15-F49 HydrophobicContact CE1-CE1 4.27Å; Y15-F49 AromaticContact CE1-CE2 3.8Å; Y15-F49 HydrophobicContact CE1-CE2 3.8Å; Y15-F49 AromaticContact CE1-CZ 3.56Å; Y15-F49 HydrophobicContact CE1-CZ 3.56Å; Y15-K137 CarbonylContact O-C 3.55Å; Y15-K137 WeakPolarHBondContact O-CA 3.48Å; Y15-C138 VanDerWaalsContact C-SG 3.51Å; Y15-C138 WeakPolarHBondContact CB-O 3.42Å; Y15-C138 PolarHBondContact O-N 2.97Å; Y15-V140 HydrophobicContact CD1-CB 3.71Å; Y15-V140 HydrophobicContact CD1-CG2 3.47Å; Y15-V140 VanDerWaalsContact CD1-CG2 3.47Å; Y15-V140 HydrophobicContact CD2-CB 4.38Å; Y15-V140 HydrophobicContact CE1-CB 3.74Å; Y15-V140 HydrophobicContact CE1-CG1 4.32Å; Y15-V140 HydrophobicContact CE1-CG2 4Å; Y15-V140 HydrophobicContact CE2-CB 4.43Å; Y15-V140 HydrophobicContact CG-CB 4.03Å; Y15-V140 HydrophobicContact CG-CG2 3.81Å
16	V	93.1	Very high	87.1	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	149.3	-170.1	-69.8	0	0	0	0	112.6	Y10 D14 F18 R29 I31 I134 G136	Y10-V16 HydrophobicContact CD1-CG1 3.57Å; Y10-V16 HydrophobicContact CE1-CG1 3.98Å; D14-V16 HydrophobicContact CB-CG1 4.3Å; V16-F18 HydrophobicContact CG2-CD2 3.74Å; V16-F18 HydrophobicContact CG2-CE2 3.62Å; V16-R29 WeakPolarHBondContact CG2-O 3.23Å; V16-R29 PolarHBondContact N-O 3.39Å; V16-R29 PolarHBondContact O-N 3.16Å; V16-I31 HydrophobicContact CG1-CD1 3.87Å; V16-I31 HydrophobicContact CG1-CG1 4.33Å; V16-I31 HydrophobicContact CG2-CD1 4.16Å; V16-I31 HydrophobicContact CG2-CG1 3.83Å; V16-I134 HydrophobicContact CB-CG2 3.92Å; V16-I134 HydrophobicContact CG1-CG2 3.96Å; V16-I134 HydrophobicContact CG2-CG1 4.3Å; V16-G136 WeakPolarHBondContact CA-O 3.33Å
17	Y	93	Very high	88.3	Confident	24 Å²	24	42.6 Å²	42.6	9%	0.094	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	118.4	167.9	-69.9	-51.3	0	0	0	110.2	Y26 Q27 I28 I134 R135 G136 C138 R429	Y17-Y26 HydrophobicContact CD1-CD2 4.26Å; Y17-Y26 HydrophobicContact CD1-CG 4.48Å; Y17-Y26 HydrophobicContact CD2-CD2 4.32Å; Y17-Y26 AromaticContact CG-CD2 3.88Å; Y17-Y26 HydrophobicContact CG-CD2 3.88Å; Y17-Y26 HydrophobicContact CG-CG 4.29Å; Y17-Q27 WeakPolarHBondContact CA-O 3.36Å; Y17-I28 HydrophobicContact CD1-CG1 3.91Å; Y17-I28 HydrophobicContact CE1-CD1 4.3Å; Y17-I28 HydrophobicContact CE1-CG1 3.79Å; Y17-I134 WeakPolarHBondContact O-CA 3.48Å; Y17-R135 PolarHBondContact O-N 3.49Å; Y17-G136 PolarHBondContact N-O 3.23Å; Y17-C138 HydrophobicContact CD2-CB 4.21Å; Y17-C138 HydrophobicContact CE1-CB 4.03Å; Y17-C138 HydrophobicContact CE2-CB 3.69Å; Y17-R429 HydrophobicContact CD2-CG 4.33Å; Y17-R429 HydrophobicContact CE1-CB 4.28Å; Y17-R429 HydrophobicContact CE1-CG 4.44Å; Y17-R429 HydrophobicContact CE2-CB 4.3Å; Y17-R429 HydrophobicContact CE2-CG 3.7Å
18	F	92.1	Very high	89.2	Confident	1 Å²	1	40.2 Å²	40.2	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	134.7	173.7	-100.7	-101.1	0	0	0	111.2	V16 Y26 Q27 R29 A44 V46 L129 H133 I134	V16-F18 HydrophobicContact CG2-CD2 3.74Å; V16-F18 HydrophobicContact CG2-CE2 3.62Å; F18-Y26 CarbonylContact O-C 3.56Å; F18-Y26 VanDerWaalsContact O-CA 3.28Å; F18-Y26 WeakPolarHBondContact O-CA 3.39Å; F18-Q27 HydrophobicContact CB-CB 4.23Å; F18-Q27 PolarHBondContact N-O 2.98Å; F18-Q27 PolarHBondContact O-N 2.92Å; F18-R29 HydrophobicContact CB-CG 4.33Å; F18-R29 HydrophobicContact CD2-CB 4.02Å; F18-R29 HydrophobicContact CD2-CG 4.02Å; F18-R29 HydrophobicContact CE2-CB 4.41Å; F18-R29 HydrophobicContact CG-CG 4.31Å; F18-A44 HydrophobicContact CZ-CB 4.19Å; F18-V46 HydrophobicContact CE2-CG1 3.74Å; F18-V46 HydrophobicContact CE2-CG2 4.49Å; F18-V46 HydrophobicContact CZ-CG1 3.88Å; F18-V46 HydrophobicContact CZ-CG2 4.32Å; F18-L129 HydrophobicContact CD1-CB 4.37Å; F18-L129 HydrophobicContact CD1-CD1 3.8Å; F18-L129 HydrophobicContact CE1-CB 3.66Å; F18-L129 HydrophobicContact CE1-CD1 3.89Å; F18-L129 HydrophobicContact CE1-CG 4.44Å; F18-L129 HydrophobicContact CZ-CB 4.45Å; F18-H133 HydrophobicContact CD1-CB 3.47Å; F18-H133 VanDerWaalsContact CD1-CB 3.47Å; F18-H133 HydrophobicContact CE1-CB 3.63Å; F18-I134 HydrophobicContact CD2-CG1 3.96Å; F18-I134 HydrophobicContact CE1-CG1 4.2Å; F18-I134 HydrophobicContact CE2-CD1 3.96Å; F18-I134 HydrophobicContact CE2-CG1 3.32Å; F18-I134 HydrophobicContact CZ-CD1 4Å; F18-I134 HydrophobicContact CZ-CG1 3.46Å; F18-I134 VanDerWaalsContact CZ-CG1 3.46Å
19	E	90.3	Very high	89.6	Confident	24 Å²	24	39.4 Å²	39.4	11%	0.112	21%	0.214	C	C	.	.			trans	-107.1	107.3	171.4	-172.1	172	-117	0	0	110.6	N21 Y26 H133 R135 K428	E19-N21 VanDerWaalsContact CG-O 3.3Å; E19-N21 WeakPolarHBondContact CG-O 3.22Å; E19-Y26 HydrophobicContact CB-CD1 3.91Å; E19-Y26 HydrophobicContact CB-CE1 3.96Å; E19-Y26 HydrophobicContact CG-CD1 4.3Å; E19-Y26 HydrophobicContact CG-CE1 4.16Å; E19-H133 PolarHBondContact N-O 3.21Å; E19-R135 HydrophobicContact CB-CG 3.65Å; E19-R135 IonicContact OE2-CZ 3.64Å; E19-R135 IonicContact OE2-NE 2.9Å; E19-R135 PolarHBondContact OE2-NE 3.42Å; E19-R135 IonicContact OE2-NH1 3.27Å; E19-R135 PolarHBondContact OE2-NH1 3.21Å; E19-R135 IonicContact OE2-NH2 3.77Å; E19-R135 PolarHBondContact OE2-NH2 3.19Å; E19-K428 IonicContact OE1-NZ 2.79Å; E19-K428 PolarHBondContact OE1-NZ 3.42Å
20	A	84.1	Confident	89.9	Confident	65 Å²	65	41.3 Å²	41.3	54%	0.537	22%	0.219	S	C	.	.	S	Bend	trans	-87.8	-33.8	171.5	0	0	0	0	0	112.1
21	N	83.6	Confident	90	Very high	73 Å²	73	41.1 Å²	41.1	39%	0.39	22%	0.218	S	C	.	.			trans	-139.3	144.6	177	55.8	26.9	0	0	0	109.5	E19 T23 A24	E19-N21 VanDerWaalsContact CG-O 3.3Å; E19-N21 WeakPolarHBondContact CG-O 3.22Å; N21-T23 VanDerWaalsContact C-N 3.26Å; N21-T23 PolarHBondContact O-N 3.27Å; N21-A24 WeakPolarHBondContact ND2-CB 3.47Å; N21-A24 VanDerWaalsContact OD1-CA 3.26Å; N21-A24 WeakPolarHBondContact OD1-CA 3.28Å; N21-A24 WeakPolarHBondContact OD1-CB 3.39Å; N21-A24 PolarHBondContact OD1-N 2.99Å
22	S	82.2	Confident	90	Very high	43 Å²	43	38.6 Å²	38.6	30%	0.301	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-27.7	179.4	49.9	0	0	0	0	112.3	P382 K428	S22-P382 WeakPolarHBondContact OG-CG 3.46Å; S22-K428 PolarHBondContact O-NZ 3.46Å
23	T	83.1	Confident	90.1	Very high	75 Å²	75	37 Å²	37	46%	0.46	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-4	-175.1	55.2	0	0	0	0	115	N21 W427	N21-T23 VanDerWaalsContact C-N 3.26Å; N21-T23 PolarHBondContact O-N 3.27Å; T23-W427 WeakPolarHBondContact O-CH2 3.44Å
24	A	86.7	Confident	90.1	Very high	15 Å²	15	35.6 Å²	35.6	12%	0.124	19%	0.186	C	C	.	.	S	Bend	trans	-119	165.2	170.2	0	0	0	0	0	111.6	N21 K428	N21-A24 WeakPolarHBondContact ND2-CB 3.47Å; N21-A24 VanDerWaalsContact OD1-CA 3.26Å; N21-A24 WeakPolarHBondContact OD1-CA 3.28Å; N21-A24 WeakPolarHBondContact OD1-CB 3.39Å; N21-A24 PolarHBondContact OD1-N 2.99Å; A24-K428 PolarHBondContact O-NZ 2.9Å
25	P	88.6	Confident	90	Very high	7 Å²	7	36.5 Å²	36.5	5%	0.045	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-60.9	156.3	176.4	-29.1	42	0	0	0	112.7	R53 W427 D443	P25-R53 VanDerWaalsContact CD-NH2 3.32Å; P25-W427 HydrophobicContact CG-CD2 4.1Å; P25-W427 HydrophobicContact CG-CE3 4.41Å; P25-W427 HydrophobicContact CG-CH2 3.93Å; P25-W427 HydrophobicContact CG-CZ2 3.55Å; P25-W427 HydrophobicContact CG-CZ3 4.33Å; P25-D443 WeakPolarHBondContact CD-OD2 3.33Å
26	Y	91.8	Very high	89.8	Confident	48 Å²	48	40 Å²	40	19%	0.188	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-59.6	143.3	174.9	-59.9	-40.7	0	0	0	110.6	Y17 F18 E19 R51 R135 K428 R429	Y17-Y26 HydrophobicContact CD1-CD2 4.26Å; Y17-Y26 HydrophobicContact CD1-CG 4.48Å; Y17-Y26 HydrophobicContact CD2-CD2 4.32Å; Y17-Y26 AromaticContact CG-CD2 3.88Å; Y17-Y26 HydrophobicContact CG-CD2 3.88Å; Y17-Y26 HydrophobicContact CG-CG 4.29Å; F18-Y26 CarbonylContact O-C 3.56Å; F18-Y26 VanDerWaalsContact O-CA 3.28Å; F18-Y26 WeakPolarHBondContact O-CA 3.39Å; E19-Y26 HydrophobicContact CB-CD1 3.91Å; E19-Y26 HydrophobicContact CB-CE1 3.96Å; E19-Y26 HydrophobicContact CG-CD1 4.3Å; E19-Y26 HydrophobicContact CG-CE1 4.16Å; Y26-R51 PolarHBondContact O-NH1 3.29Å; Y26-R51 PolarHBondContact O-NH2 3.02Å; Y26-R135 HydrophobicContact CD1-CG 4.36Å; Y26-R135 HydrophobicContact CE1-CB 4.1Å; Y26-R135 HydrophobicContact CE1-CG 3.84Å; Y26-K428 WeakPolarHBondContact CB-O 3.29Å; Y26-K428 HydrophobicContact CD2-CB 4Å; Y26-K428 WeakPolarHBondContact CD2-O 3.31Å; Y26-K428 HydrophobicContact CE2-CB 3.75Å; Y26-K428 PolarHBondContact N-O 3.31Å; Y26-R429 HydrophobicContact CD2-CG 4.41Å
27	Q	91.7	Very high	89.5	Confident	70 Å²	70	41.8 Å²	41.8	33%	0.327	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	145.8	168.5	-65.4	175	-15.5	0	0	108.6	Y17 F18	Y17-Q27 WeakPolarHBondContact CA-O 3.36Å; F18-Q27 HydrophobicContact CB-CB 4.23Å; F18-Q27 PolarHBondContact N-O 2.98Å; F18-Q27 PolarHBondContact O-N 2.92Å
28	I	91.9	Very high	89.1	Confident	12 Å²	12	49.2 Å²	49.2	6%	0.062	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.6	-179.7	-63.9	150.5	0	0	0	107.8	Y17 F49 L120 V140	Y17-I28 HydrophobicContact CD1-CG1 3.91Å; Y17-I28 HydrophobicContact CE1-CD1 4.3Å; Y17-I28 HydrophobicContact CE1-CG1 3.79Å; I28-F49 HydrophobicContact CB-CB 4.08Å; I28-F49 HydrophobicContact CG2-CB 3.98Å; I28-F49 HydrophobicContact CG2-CG 4.35Å; I28-F49 WeakPolarHBondContact O-CB 3.29Å; I28-F49 PolarHBondContact O-N 3.42Å; I28-L120 HydrophobicContact CD1-CD1 3.91Å; I28-L120 HydrophobicContact CD1-CD2 3.43Å; I28-L120 VanDerWaalsContact CD1-CD2 3.43Å; I28-L120 HydrophobicContact CD1-CG 4.29Å; I28-L120 HydrophobicContact CG2-CD1 4.02Å; I28-V140 HydrophobicContact CG2-CG2 4.03Å
29	R	93.9	Very high	88.9	Confident	10 Å²	10	54.4 Å²	54.4	4%	0.038	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	154.5	-176.8	-52.1	-172.4	176.2	-122.8	1.2	111.1	Y15 V16 F18 V46 M47 C48 E127 L129	Y15-R29 CarbonylContact C-O 3.49Å; Y15-R29 WeakPolarHBondContact CA-O 3.34Å; V16-R29 WeakPolarHBondContact CG2-O 3.23Å; V16-R29 PolarHBondContact N-O 3.39Å; V16-R29 PolarHBondContact O-N 3.16Å; F18-R29 HydrophobicContact CB-CG 4.33Å; F18-R29 HydrophobicContact CD2-CB 4.02Å; F18-R29 HydrophobicContact CD2-CG 4.02Å; F18-R29 HydrophobicContact CE2-CB 4.41Å; F18-R29 HydrophobicContact CG-CG 4.31Å; R29-V46 HydrophobicContact CB-CB 3.95Å; R29-V46 HydrophobicContact CB-CG1 4.44Å; R29-V46 HydrophobicContact CB-CG2 4.46Å; R29-M47 CarbonylContact C-O 3.46Å; R29-M47 WeakPolarHBondContact CA-O 3.44Å; R29-M47 WeakPolarHBondContact CB-O 3.38Å; R29-C48 PolarHBondContact NH1-SG 3.09Å; R29-E127 IonicContact CZ-OE2 3.04Å; R29-E127 IonicContact NH1-OE2 3Å; R29-E127 PolarHBondContact NH1-OE2 3.34Å; R29-E127 IonicContact NH2-OE2 3.87Å; R29-E127 PolarHBondContact NH2-OE2 2.84Å; R29-L129 VanDerWaalsContact CZ-CD1 3.47Å
30	R	93.8	Very high	88.6	Confident	90 Å²	90	55 Å²	55	34%	0.34	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.4	170.7	-176.2	-176.5	179	-158.2	2.7	109.7	Y15 E32 V46 M47 F49	Y15-R30 HydrophobicContact CD1-CB 3.89Å; Y15-R30 HydrophobicContact CD1-CG 4.25Å; Y15-R30 HydrophobicContact CE1-CB 3.9Å; Y15-R30 HydrophobicContact CE1-CG 4.06Å; R30-E32 IonicContact CZ-OE1 3.97Å; R30-E32 IonicContact NE-OE1 3.79Å; R30-E32 IonicContact NH1-OE1 3.25Å; R30-E32 PolarHBondContact O-N 3.47Å; R30-V46 CarbonylContact O-C 3.52Å; R30-V46 WeakPolarHBondContact O-CA 3.44Å; R30-M47 HydrophobicContact CB-CB 4.43Å; R30-M47 PolarHBondContact N-O 2.72Å; R30-M47 PolarHBondContact O-N 2.92Å; R30-F49 HydrophobicContact CB-CE2 3.83Å
31	I	93.1	Very high	88.9	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	110.3	177	-57.1	175.9	0	0	0	108.7	V12 G13 D14 V16 L34 V46 I134	V12-I31 HydrophobicContact CG2-CG2 4.38Å; G13-I31 PolarHBondContact N-O 3.46Å; D14-I31 HydrophobicContact CB-CD1 4.48Å; D14-I31 PolarHBondContact O-N 3.13Å; V16-I31 HydrophobicContact CG1-CD1 3.87Å; V16-I31 HydrophobicContact CG1-CG1 4.33Å; V16-I31 HydrophobicContact CG2-CD1 4.16Å; V16-I31 HydrophobicContact CG2-CG1 3.83Å; I31-L34 HydrophobicContact CG2-CD1 4.45Å; I31-L34 HydrophobicContact CG2-CD2 3.83Å; I31-L34 HydrophobicContact CG2-CG 3.8Å; I31-V46 HydrophobicContact CG1-CG1 4.29Å; I31-I134 HydrophobicContact CD1-CD1 4Å
32	E	92.7	Very high	89.2	Confident	64 Å²	64	54.9 Å²	54.9	30%	0.299	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-34.7	175.6	-67.3	-62.6	150.9	0	0	111.2	V12 R30 K45 M47	V12-E32 WeakPolarHBondContact CG1-O 3.41Å; R30-E32 IonicContact CZ-OE1 3.97Å; R30-E32 IonicContact NE-OE1 3.79Å; R30-E32 IonicContact NH1-OE1 3.25Å; R30-E32 PolarHBondContact O-N 3.47Å; E32-K45 PolarHBondContact N-O 3.05Å; E32-M47 HydrophobicContact CG-CB 4.05Å; E32-M47 HydrophobicContact CG-CE 4.48Å
33	E	91.6	Very high	89.8	Confident	30 Å²	30	56.4 Å²	56.4	14%	0.14	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	146.6	-177.5	179.1	175.8	-142.9	0	0	110.8	K45 R368	E33-K45 HydrophobicContact CB-CB 4.04Å; E33-K45 HydrophobicContact CB-CD 4.33Å; E33-K45 PolarHBondContact N-O 2.99Å; E33-K45 PolarHBondContact O-N 2.97Å; E33-K45 WeakPolarHBondContact OE2-CD 3.41Å; E33-K45 IonicContact OE2-NZ 2.9Å; E33-R368 WeakPolarHBondContact OE1-CD 3.34Å; E33-R368 IonicContact OE1-CZ 2.91Å; E33-R368 VanDerWaalsContact OE1-CZ 3.27Å; E33-R368 IonicContact OE1-NE 3.2Å; E33-R368 PolarHBondContact OE1-NE 3.32Å; E33-R368 IonicContact OE1-NH1 3.17Å; E33-R368 PolarHBondContact OE1-NH1 3.24Å
34	L	91.8	Very high	90.3	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.2	173.1	-65.2	166.7	0	0	0	109	V12 I31 V42 A44 L369 V372	V12-L34 HydrophobicContact CG2-CD1 4.18Å; V12-L34 HydrophobicContact CG2-CG 4.15Å; I31-L34 HydrophobicContact CG2-CD1 4.45Å; I31-L34 HydrophobicContact CG2-CD2 3.83Å; I31-L34 HydrophobicContact CG2-CG 3.8Å; L34-V42 HydrophobicContact CB-CG1 4.48Å; L34-V42 HydrophobicContact CD2-CG1 4.37Å; L34-A44 HydrophobicContact CD2-CB 3.76Å; L34-L369 HydrophobicContact CB-CB 3.91Å; L34-V372 HydrophobicContact CD1-CB 4.17Å; L34-V372 HydrophobicContact CD1-CG1 3.87Å; L34-V372 HydrophobicContact CD2-CG1 3.95Å
35	N	88.9	Confident	90.6	Very high	54 Å²	54	55.6 Å²	55.6	29%	0.289	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.6	-177.7	-68.7	-50.7	0	0	0	109.8	V42 E43	N35-V42 CarbonylContact O-C 3.49Å; N35-V42 WeakPolarHBondContact O-CA 3.47Å; N35-E43 PolarHBondContact N-O 2.95Å; N35-E43 PolarHBondContact O-N 3.42Å
36	K	88.3	Confident	90.9	Very high	133 Å²	133	55.3 Å²	55.3	58%	0.578	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	121.3	171.9	-175.3	176.8	-179.4	-175.8	0	108.6	N41 L369	K36-N41 CarbonylContact C-O 3.6Å; K36-N41 WeakPolarHBondContact CA-O 3.21Å; K36-L369 HydrophobicContact CB-CD1 3.48Å; K36-L369 VanDerWaalsContact CB-CD1 3.48Å
37	T	86.3	Confident	91	Very high	38 Å²	38	54.7 Å²	54.7	23%	0.233	28%	0.282	C	S	.	.			trans	-70.6	160.7	175.3	66.3	0	0	0	0	110.3	T39 G40 N41 E43	T37-T39 PolarHBondContact O-N 2.9Å; T37-T39 VanDerWaalsContact O-N 3.07Å; T37-T39 PolarHBondContact OG1-OG1 2.76Å; T37-G40 PolarHBondContact O-N 3.35Å; T37-N41 PolarHBondContact N-O 3.27Å; T37-N41 WeakPolarHBondContact OG1-CB 3.37Å; T37-N41 PolarHBondContact OG1-N 3.27Å; T37-N41 PolarHBondContact OG1-O 3.36Å; T37-E43 HydrophobicContact CG2-CG 4.09Å
38	N	85	Confident	91	Very high	179 Å²	179	51.6 Å²	51.6	96%	0.957	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.1	175.7	-66.2	-9	0	0	0	113	G40	N38-G40 VanDerWaalsContact C-N 3.25Å; N38-G40 PolarHBondContact O-N 2.95Å
39	T	88.1	Confident	90.9	Very high	110 Å²	110	51.9 Å²	51.9	68%	0.675	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-4.1	175.5	62.2	0	0	0	0	113.6	T37 N41	T37-T39 PolarHBondContact O-N 2.9Å; T37-T39 VanDerWaalsContact O-N 3.07Å; T37-T39 PolarHBondContact OG1-OG1 2.76Å; T39-N41 PolarHBondContact OG1-ND2 3.05Å; T39-N41 VanDerWaalsContact OG1-ND2 3.13Å
40	G	84.4	Confident	90.5	Very high	36 Å²	36	54.1 Å²	54.1	37%	0.371	28%	0.278	S	S	.	.	S	Bend	trans	88.2	-1.1	-178.7	0	0	0	0	0	115.3	T37 N38	T37-G40 PolarHBondContact O-N 3.35Å; N38-G40 VanDerWaalsContact C-N 3.25Å; N38-G40 PolarHBondContact O-N 2.95Å
41	N	89	Confident	90	Very high	105 Å²	105	50.2 Å²	50.2	56%	0.561	26%	0.264	S	S	*	.			trans	-72.6	148.8	174.7	-62.6	-38.7	0	0	0	110	K36 T37 T39	K36-N41 CarbonylContact C-O 3.6Å; K36-N41 WeakPolarHBondContact CA-O 3.21Å; T37-N41 PolarHBondContact N-O 3.27Å; T37-N41 WeakPolarHBondContact OG1-CB 3.37Å; T37-N41 PolarHBondContact OG1-N 3.27Å; T37-N41 PolarHBondContact OG1-O 3.36Å; T39-N41 PolarHBondContact OG1-ND2 3.05Å; T39-N41 VanDerWaalsContact OG1-ND2 3.13Å
42	V	91.3	Very high	89.3	Confident	31 Å²	31	51.5 Å²	51.5	19%	0.188	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.3	175.8	-174.2	0	0	0	0	109.4	L34 N35 A131 V372	L34-V42 HydrophobicContact CB-CG1 4.48Å; L34-V42 HydrophobicContact CD2-CG1 4.37Å; N35-V42 CarbonylContact O-C 3.49Å; N35-V42 WeakPolarHBondContact O-CA 3.47Å; V42-A131 HydrophobicContact CB-CB 4.04Å; V42-A131 HydrophobicContact CG1-CB 3.98Å; V42-A131 VanDerWaalsContact O-CB 3.23Å; V42-A131 WeakPolarHBondContact O-CB 3.34Å; V42-A131 PolarHBondContact O-N 3.15Å; V42-V372 HydrophobicContact CB-CG2 4.07Å; V42-V372 HydrophobicContact CG1-CB 4.25Å; V42-V372 HydrophobicContact CG1-CG2 3.92Å; V42-V372 HydrophobicContact CG2-CG2 3.96Å
43	E	93.1	Very high	88.5	Confident	76 Å²	76	50.4 Å²	50.4	36%	0.355	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	138.2	172.6	-63.4	-175.4	161.9	0	0	109.1	N35 T37 T128 L129	N35-E43 PolarHBondContact N-O 2.95Å; N35-E43 PolarHBondContact O-N 3.42Å; T37-E43 HydrophobicContact CG2-CG 4.09Å; E43-T128 HydrophobicContact CB-CG2 3.86Å; E43-L129 CarbonylContact C-O 3.59Å; E43-L129 WeakPolarHBondContact CA-O 3.35Å
44	A	93.3	Very high	87.9	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123.9	175.5	0	0	0	0	0	109	F18 L34 V46 T128 L129 I134	F18-A44 HydrophobicContact CZ-CB 4.19Å; L34-A44 HydrophobicContact CD2-CB 3.76Å; A44-V46 HydrophobicContact CB-CG1 3.82Å; A44-T128 WeakPolarHBondContact O-CA 3.21Å; A44-L129 PolarHBondContact N-O 2.92Å; A44-L129 PolarHBondContact O-N 3.11Å; A44-I134 HydrophobicContact CB-CD1 4.43Å
45	K	94.4	Very high	87.2	Confident	73 Å²	73	51.9 Å²	51.9	32%	0.317	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	120.6	167.1	-173.3	-179	-179	-178	0	107.7	E32 E33 I126 E127	E32-K45 PolarHBondContact N-O 3.05Å; E33-K45 HydrophobicContact CB-CB 4.04Å; E33-K45 HydrophobicContact CB-CD 4.33Å; E33-K45 PolarHBondContact N-O 2.99Å; E33-K45 PolarHBondContact O-N 2.97Å; E33-K45 WeakPolarHBondContact OE2-CD 3.41Å; E33-K45 IonicContact OE2-NZ 2.9Å; K45-I126 HydrophobicContact CD-CG2 4.19Å; K45-I126 HydrophobicContact CG-CG2 3.47Å; K45-I126 VanDerWaalsContact CG-CG2 3.47Å; K45-E127 CarbonylContact C-O 3.59Å; K45-E127 WeakPolarHBondContact CA-O 3.36Å
46	V	94.5	Very high	86.5	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	132.5	-161.5	-73.9	0	0	0	0	111.5	F18 R29 R30 I31 A44 I126 E127	F18-V46 HydrophobicContact CE2-CG1 3.74Å; F18-V46 HydrophobicContact CE2-CG2 4.49Å; F18-V46 HydrophobicContact CZ-CG1 3.88Å; F18-V46 HydrophobicContact CZ-CG2 4.32Å; R29-V46 HydrophobicContact CB-CB 3.95Å; R29-V46 HydrophobicContact CB-CG1 4.44Å; R29-V46 HydrophobicContact CB-CG2 4.46Å; R30-V46 CarbonylContact O-C 3.52Å; R30-V46 WeakPolarHBondContact O-CA 3.44Å; I31-V46 HydrophobicContact CG1-CG1 4.29Å; A44-V46 HydrophobicContact CB-CG1 3.82Å; V46-I126 WeakPolarHBondContact O-CA 3.39Å; V46-E127 VanDerWaalsContact CG2-O 3.22Å; V46-E127 WeakPolarHBondContact CG2-O 3.33Å; V46-E127 PolarHBondContact N-O 3.21Å; V46-E127 PolarHBondContact O-N 3.36Å
47	M	93.6	Very high	85.7	Confident	36 Å²	36	47.7 Å²	47.7	18%	0.177	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	131.4	172.7	-173.5	174.5	-67.6	0	0	109.8	R29 R30 E32 L122 S123	R29-M47 CarbonylContact C-O 3.46Å; R29-M47 WeakPolarHBondContact CA-O 3.44Å; R29-M47 WeakPolarHBondContact CB-O 3.38Å; R30-M47 HydrophobicContact CB-CB 4.43Å; R30-M47 PolarHBondContact N-O 2.72Å; R30-M47 PolarHBondContact O-N 2.92Å; E32-M47 HydrophobicContact CG-CB 4.05Å; E32-M47 HydrophobicContact CG-CE 4.48Å; M47-L122 HydrophobicContact CG-CD1 4.42Å; M47-L122 HydrophobicContact SD-CD1 3.56Å; M47-L122 VanDerWaalsContact SD-CD1 3.56Å; M47-S123 WeakPolarHBondContact CG-O 3.39Å
48	C	91	Very high	85	Confident	4 Å²	4	49.3 Å²	49.3	3%	0.027	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	134.2	-175.2	-60.6	0	0	0	0	112.2	R29 F50 S123 Q125	R29-C48 PolarHBondContact NH1-SG 3.09Å; C48-F50 HydrophobicContact CB-CD2 4.36Å; C48-F50 HydrophobicContact CB-CE2 3.6Å; C48-F50 HydrophobicContact CB-CZ 4.05Å; C48-S123 WeakPolarHBondContact O-CB 3.32Å; C48-S123 PolarHBondContact O-N 2.98Å; C48-Q125 HydrophobicContact CB-CB 4.31Å; C48-Q125 PolarHBondContact N-O 3.35Å
49	F	90.3	Very high	84.3	Confident	19 Å²	19	45.3 Å²	45.3	8%	0.083	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.5	166	-71.5	-103.7	0	0	0	108.9	Y15 I28 R30 L120 F121 L122 V140	Y15-F49 HydrophobicContact CD1-CE2 4.12Å; Y15-F49 HydrophobicContact CD1-CZ 4.27Å; Y15-F49 HydrophobicContact CE1-CE1 4.27Å; Y15-F49 AromaticContact CE1-CE2 3.8Å; Y15-F49 HydrophobicContact CE1-CE2 3.8Å; Y15-F49 AromaticContact CE1-CZ 3.56Å; Y15-F49 HydrophobicContact CE1-CZ 3.56Å; I28-F49 HydrophobicContact CB-CB 4.08Å; I28-F49 HydrophobicContact CG2-CB 3.98Å; I28-F49 HydrophobicContact CG2-CG 4.35Å; I28-F49 WeakPolarHBondContact O-CB 3.29Å; I28-F49 PolarHBondContact O-N 3.42Å; R30-F49 HydrophobicContact CB-CE2 3.83Å; F49-L120 HydrophobicContact CD1-CB 4.21Å; F49-F121 WeakPolarHBondContact CA-O 3.36Å; F49-L122 HydrophobicContact CD1-CD1 4.5Å; F49-L122 HydrophobicContact CE1-CB 4.3Å; F49-L122 HydrophobicContact CE1-CD1 3.66Å; F49-L122 HydrophobicContact CE2-CD1 4.14Å; F49-L122 HydrophobicContact CZ-CD1 3.42Å; F49-L122 VanDerWaalsContact CZ-CD1 3.42Å; F49-V140 HydrophobicContact CD1-CG1 4.42Å; F49-V140 HydrophobicContact CE1-CG1 4.16Å
50	F	86.1	Confident	83.7	Confident	56 Å²	56	41.3 Å²	41.3	25%	0.246	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.1	-179	-68.4	-92.2	0	0	0	109.6	C48 D54 I55 L120 F121 S123	C48-F50 HydrophobicContact CB-CD2 4.36Å; C48-F50 HydrophobicContact CB-CE2 3.6Å; C48-F50 HydrophobicContact CB-CZ 4.05Å; F50-D54 HydrophobicContact CB-CB 4.26Å; F50-D54 HydrophobicContact CD1-CB 3.93Å; F50-I55 HydrophobicContact CB-CD1 4.23Å; F50-I55 HydrophobicContact CB-CG1 3.88Å; F50-L120 WeakPolarHBondContact O-CA 3.27Å; F50-F121 PolarHBondContact N-O 2.83Å; F50-F121 WeakPolarHBondContact O-CD2 3.44Å; F50-F121 PolarHBondContact O-N 3.26Å; F50-S123 VanDerWaalsContact CE2-CB 3.45Å
51	R	83.7	Confident	83	Confident	9 Å²	9	47 Å²	47	3%	0.034	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	162.1	167.1	-59.7	-179.9	-175.9	109.7	-4.9	109.5	Y26 R53 D54 I55 L120 R429 Y430	Y26-R51 PolarHBondContact O-NH1 3.29Å; Y26-R51 PolarHBondContact O-NH2 3.02Å; R51-R53 HydrophobicContact CB-CG 3.92Å; R51-R53 PolarHBondContact O-N 3.44Å; R51-D54 WeakPolarHBondContact CB-OD2 3.38Å; R51-D54 PolarHBondContact N-OD2 2.98Å; R51-D54 VanDerWaalsContact N-OD2 3.12Å; R51-D54 WeakPolarHBondContact O-CA 3.49Å; R51-D54 WeakPolarHBondContact O-CB 3.1Å; R51-D54 PolarHBondContact O-N 3.22Å; R51-I55 PolarHBondContact O-N 3.24Å; R51-L120 HydrophobicContact CG-CD2 3.75Å; R51-R429 PolarHBondContact NH2-O 2.97Å; R51-Y430 VanDerWaalsContact CD-O 3.24Å; R51-Y430 WeakPolarHBondContact CD-O 3.5Å; R51-Y430 PolarHBondContact NE-O 2.9Å
52	R	77.7	Confident	82.1	Confident	28 Å²	28	45.6 Å²	45.6	11%	0.106	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-47.6	-46.3	169.8	178.7	163.7	-72	-108.6	-7.3	111.8	D54 I55 L60 D64 E97 E119 F121	R52-D54 PolarHBondContact O-N 3.11Å; R52-I55 PolarHBondContact O-N 3.36Å; R52-L60 HydrophobicContact CB-CD1 4.47Å; R52-L60 HydrophobicContact CG-CD1 3.7Å; R52-L60 HydrophobicContact CG-CD2 3.49Å; R52-L60 VanDerWaalsContact CG-CD2 3.49Å; R52-L60 HydrophobicContact CG-CG 4.21Å; R52-D64 IonicContact CZ-OD1 3.88Å; R52-D64 VanDerWaalsContact CZ-OD1 3.25Å; R52-D64 IonicContact CZ-OD2 2.96Å; R52-D64 VanDerWaalsContact NH1-CG 3.32Å; R52-D64 IonicContact NH1-OD1 3.61Å; R52-D64 PolarHBondContact NH1-OD1 2.88Å; R52-D64 IonicContact NH1-OD2 3.95Å; R52-D64 PolarHBondContact NH1-OD2 3.39Å; R52-D64 IonicContact NH2-OD1 3.92Å; R52-D64 PolarHBondContact NH2-OD1 3.38Å; R52-E97 PolarHBondContact NH1-O 3.03Å; R52-E119 IonicContact CZ-OE1 3.24Å; R52-E119 IonicContact CZ-OE2 3.47Å; R52-E119 IonicContact NE-OE1 3.57Å; R52-E119 IonicContact NE-OE2 3.15Å; R52-E119 PolarHBondContact NE-OE2 2.78Å; R52-E119 IonicContact NH2-OE1 2.73Å; R52-E119 PolarHBondContact NH2-OE1 3.45Å; R52-E119 IonicContact NH2-OE2 3.65Å; R52-E119 PolarHBondContact NH2-OE2 3.12Å; R52-F121 HydrophobicContact CB-CE2 4.07Å
53	R	76.9	Confident	80.9	Confident	40 Å²	40	48.2 Å²	48.2	15%	0.151	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-66.3	-13.9	176.5	74.7	174	-157.2	130.8	24.2	114.8	P25 R51 G431 D443 R444	P25-R53 VanDerWaalsContact CD-NH2 3.32Å; R51-R53 HydrophobicContact CB-CG 3.92Å; R51-R53 PolarHBondContact O-N 3.44Å; R53-G431 PolarHBondContact NH1-O 3.1Å; R53-D443 IonicContact CZ-OD2 3.18Å; R53-D443 IonicContact NH1-OD1 3.78Å; R53-D443 IonicContact NH1-OD2 2.64Å; R53-D443 PolarHBondContact NH1-OD2 2.91Å; R53-D443 IonicContact NH2-OD2 2.86Å; R53-D443 PolarHBondContact NH2-OD2 3.29Å; R53-R444 WeakPolarHBondContact O-CD 3.38Å; R53-R444 PolarHBondContact O-NE 3.02Å; R53-R444 VanDerWaalsContact O-NE 3.08Å; R53-R444 PolarHBondContact O-NH1 2.89Å; R53-R444 PolarHBondContact O-NH2 3Å
54	D	78	Confident	79.8	Confident	45 Å²	45	45.4 Å²	45.4	24%	0.241	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-93.9	-17.5	180	-60.1	-39.4	0	0	0	111.5	F50 R51 R52 R444	F50-D54 HydrophobicContact CB-CB 4.26Å; F50-D54 HydrophobicContact CD1-CB 3.93Å; R51-D54 WeakPolarHBondContact CB-OD2 3.38Å; R51-D54 PolarHBondContact N-OD2 2.98Å; R51-D54 VanDerWaalsContact N-OD2 3.12Å; R51-D54 WeakPolarHBondContact O-CA 3.49Å; R51-D54 WeakPolarHBondContact O-CB 3.1Å; R51-D54 PolarHBondContact O-N 3.22Å; R52-D54 PolarHBondContact O-N 3.11Å; D54-R444 PolarHBondContact O-NH2 3.47Å
55	I	76.3	Confident	78.3	Confident	17 Å²	17	53.5 Å²	53.5	9%	0.087	28%	0.276	C	S	.	.	S	Bend	trans	-82.9	153.8	178.8	-61.2	176.2	0	0	0	110.2	F50 R51 R52 L59 L60 F63 F121 R444	F50-I55 HydrophobicContact CB-CD1 4.23Å; F50-I55 HydrophobicContact CB-CG1 3.88Å; R51-I55 PolarHBondContact O-N 3.24Å; R52-I55 PolarHBondContact O-N 3.36Å; I55-L59 HydrophobicContact CG2-CB 3.54Å; I55-L59 HydrophobicContact CG2-CD1 4.33Å; I55-L60 HydrophobicContact CG2-CB 4.42Å; I55-F63 HydrophobicContact CD1-CE2 4.34Å; I55-F63 HydrophobicContact CG2-CD2 4.45Å; I55-F63 HydrophobicContact CG2-CE2 4.28Å; I55-F121 HydrophobicContact CD1-CB 3.7Å; I55-F121 HydrophobicContact CD1-CD1 3.94Å; I55-F121 HydrophobicContact CD1-CD2 3.22Å; I55-F121 HydrophobicContact CD1-CE1 4.39Å; I55-F121 HydrophobicContact CD1-CE2 3.76Å; I55-F121 HydrophobicContact CD1-CG 3.32Å; I55-F121 HydrophobicContact CD1-CZ 4.31Å; I55-F121 HydrophobicContact CG1-CD2 4.45Å; I55-R444 PolarHBondContact O-NH1 2.78Å
56	S	75.6	Confident	76.5	Confident	51 Å²	51	53.4 Å²	53.4	36%	0.357	28%	0.284	S	S	.	.			trans	-74.3	144.7	174.2	72.7	0	0	0	0	110.5	A58 L59 L60	S56-A58 PolarHBondContact O-N 3.44Å; S56-A58 VanDerWaalsContact O-N 3.1Å; S56-L59 PolarHBondContact O-N 3.49Å; S56-L59 WeakPolarHBondContact OG-CG 3.43Å; S56-L59 PolarHBondContact OG-N 2.93Å; S56-L60 PolarHBondContact O-N 2.78Å
57	G	71.4	Confident	74.8	Confident	49 Å²	49	56.2 Å²	56.2	51%	0.505	30%	0.304	S	S	.	.	H	α-helix	trans	-57.5	-29.3	-178.4	0	0	0	0	0	114.2	K61	G57-K61 WeakPolarHBondContact O-CG 3.44Å; G57-K61 PolarHBondContact O-N 2.74Å; G57-K61 VanDerWaalsContact O-N 3.1Å
58	A	70.6	Confident	73.1	Confident	72 Å²	72	58.8 Å²	58.8	60%	0.595	31%	0.314	S	S	*	.	H	α-helix	trans	-69.1	-41.1	175.7	0	0	0	0	0	112.8	S56 T62	S56-A58 PolarHBondContact O-N 3.44Å; S56-A58 VanDerWaalsContact O-N 3.1Å; A58-T62 PolarHBondContact O-N 3.32Å; A58-T62 PolarHBondContact O-OG1 3.17Å
59	L	71.7	Confident	71.2	Confident	95 Å²	95	63.6 Å²	63.6	50%	0.497	34%	0.338	S	S	.	.	H	α-helix	trans	-69.1	-41.1	175.4	-72.7	174.3	0	0	0	110.4	I55 S56 K61 T62 F63	I55-L59 HydrophobicContact CG2-CB 3.54Å; I55-L59 HydrophobicContact CG2-CD1 4.33Å; S56-L59 PolarHBondContact O-N 3.49Å; S56-L59 WeakPolarHBondContact OG-CG 3.43Å; S56-L59 PolarHBondContact OG-N 2.93Å; L59-K61 PolarHBondContact O-N 2.94Å; L59-T62 WeakPolarHBondContact O-CA 3.48Å; L59-T62 VanDerWaalsContact O-CB 3.31Å; L59-T62 WeakPolarHBondContact O-CB 3.36Å; L59-T62 PolarHBondContact O-N 3.24Å; L59-F63 HydrophobicContact CB-CD2 4.38Å; L59-F63 HydrophobicContact CB-CE2 4.1Å; L59-F63 WeakPolarHBondContact O-CD2 3.41Å; L59-F63 PolarHBondContact O-N 3.03Å
60	L	73.9	Confident	69.1	Low	26 Å²	26	65.3 Å²	65.3	14%	0.136	36%	0.356	C	S	.	.	H	α-helix	trans	-61.1	-45.4	-179.9	-165.4	67.5	0	0	0	112.4	R52 I55 S56 T62 F63 D64 F121	R52-L60 HydrophobicContact CB-CD1 4.47Å; R52-L60 HydrophobicContact CG-CD1 3.7Å; R52-L60 HydrophobicContact CG-CD2 3.49Å; R52-L60 VanDerWaalsContact CG-CD2 3.49Å; R52-L60 HydrophobicContact CG-CG 4.21Å; I55-L60 HydrophobicContact CG2-CB 4.42Å; S56-L60 PolarHBondContact O-N 2.78Å; L60-T62 PolarHBondContact O-N 3.18Å; L60-T62 VanDerWaalsContact O-N 3.16Å; L60-F63 PolarHBondContact O-N 3.47Å; L60-D64 PolarHBondContact O-N 2.8Å; L60-F121 HydrophobicContact CD1-CE2 4.29Å; L60-F121 HydrophobicContact CD1-CZ 3.94Å
61	K	71.5	Confident	67.3	Low	154 Å²	154	64.8 Å²	64.8	67%	0.67	36%	0.363	S	S	*	.	H	α-helix	trans	-56.1	-32.1	172.4	-74.2	177.8	-178.4	-171.6	0	113.2	G57 L59 R65	G57-K61 WeakPolarHBondContact O-CG 3.44Å; G57-K61 PolarHBondContact O-N 2.74Å; G57-K61 VanDerWaalsContact O-N 3.1Å; L59-K61 PolarHBondContact O-N 2.94Å; K61-R65 WeakPolarHBondContact O-CB 3.41Å; K61-R65 PolarHBondContact O-N 2.87Å
62	T	69.2	Low	65.7	Low	76 Å²	76	69.5 Å²	69.5	47%	0.466	39%	0.392	S	S	.	.	H	α-helix	trans	-74.8	-43.6	177.2	-49.6	0	0	0	0	110.5	A58 L59 L60 R65 C66	A58-T62 PolarHBondContact O-N 3.32Å; A58-T62 PolarHBondContact O-OG1 3.17Å; L59-T62 WeakPolarHBondContact O-CA 3.48Å; L59-T62 VanDerWaalsContact O-CB 3.31Å; L59-T62 WeakPolarHBondContact O-CB 3.36Å; L59-T62 PolarHBondContact O-N 3.24Å; L60-T62 PolarHBondContact O-N 3.18Å; L60-T62 VanDerWaalsContact O-N 3.16Å; T62-R65 PolarHBondContact O-N 3.23Å; T62-C66 PolarHBondContact O-N 3.34Å; T62-C66 PolarHBondContact O-SG 3.44Å; T62-C66 VanDerWaalsContact O-SG 3.34Å
63	F	66.9	Low	64.1	Low	86 Å²	86	71.9 Å²	71.9	38%	0.377	41%	0.413	S	S	.	.	H	α-helix	trans	-61.9	-44.5	175.3	-72.9	-64.9	0	0	0	112.5	I55 L59 L60 R65 C66 S67 F121	I55-F63 HydrophobicContact CD1-CE2 4.34Å; I55-F63 HydrophobicContact CG2-CD2 4.45Å; I55-F63 HydrophobicContact CG2-CE2 4.28Å; L59-F63 HydrophobicContact CB-CD2 4.38Å; L59-F63 HydrophobicContact CB-CE2 4.1Å; L59-F63 WeakPolarHBondContact O-CD2 3.41Å; L59-F63 PolarHBondContact O-N 3.03Å; L60-F63 PolarHBondContact O-N 3.47Å; F63-R65 VanDerWaalsContact C-N 3.3Å; F63-R65 PolarHBondContact O-N 3.21Å; F63-C66 PolarHBondContact O-N 3.11Å; F63-S67 WeakPolarHBondContact O-CB 3.46Å; F63-S67 PolarHBondContact O-N 3Å; F63-S67 PolarHBondContact O-OG 3.34Å; F63-F121 HydrophobicContact CB-CE1 4.13Å; F63-F121 HydrophobicContact CD1-CD1 4.45Å; F63-F121 HydrophobicContact CD1-CE1 4.41Å; F63-F121 HydrophobicContact CD2-CE1 4.38Å; F63-F121 HydrophobicContact CG-CD1 4.41Å; F63-F121 HydrophobicContact CG-CE1 4.08Å
64	D	68.4	Low	62.6	Low	17 Å²	17	76.2 Å²	76.2	9%	0.091	44%	0.439	C	S	.	.	H	α-helix	trans	-62.8	-39.1	177.7	-68.2	-30.6	0	0	0	111.2	R52 L60 S67 K68	R52-D64 IonicContact CZ-OD1 3.88Å; R52-D64 VanDerWaalsContact CZ-OD1 3.25Å; R52-D64 IonicContact CZ-OD2 2.96Å; R52-D64 VanDerWaalsContact NH1-CG 3.32Å; R52-D64 IonicContact NH1-OD1 3.61Å; R52-D64 PolarHBondContact NH1-OD1 2.88Å; R52-D64 IonicContact NH1-OD2 3.95Å; R52-D64 PolarHBondContact NH1-OD2 3.39Å; R52-D64 IonicContact NH2-OD1 3.92Å; R52-D64 PolarHBondContact NH2-OD1 3.38Å; L60-D64 PolarHBondContact O-N 2.8Å; D64-S67 PolarHBondContact O-N 2.9Å; D64-K68 WeakPolarHBondContact O-CG 3.5Å; D64-K68 PolarHBondContact O-N 3.34Å
65	R	62.5	Low	60.6	Low	170 Å²	170	76.9 Å²	76.9	64%	0.642	46%	0.456	S	S	*	.	H	α-helix	trans	-66	-45.3	175.5	-170.4	-177.8	-64.6	162.5	-1.7	112.1	K61 T62 F63 S67 K68 I69	K61-R65 WeakPolarHBondContact O-CB 3.41Å; K61-R65 PolarHBondContact O-N 2.87Å; T62-R65 PolarHBondContact O-N 3.23Å; F63-R65 VanDerWaalsContact C-N 3.3Å; F63-R65 PolarHBondContact O-N 3.21Å; R65-S67 VanDerWaalsContact C-N 3.31Å; R65-S67 PolarHBondContact O-N 3.42Å; R65-K68 PolarHBondContact O-N 3.46Å; R65-I69 HydrophobicContact CG-CD1 4.19Å; R65-I69 WeakPolarHBondContact O-CG1 3.45Å; R65-I69 PolarHBondContact O-N 2.92Å
66	C	57	Low	58.5	Low	72 Å²	72	82.3 Å²	82.3	49%	0.486	49%	0.486	S	S	.	.	H	α-helix	trans	-63.9	-37.7	177.4	-67.9	0	0	0	0	111.9	T62 F63 I69 A70	T62-C66 PolarHBondContact O-N 3.34Å; T62-C66 PolarHBondContact O-SG 3.44Å; T62-C66 VanDerWaalsContact O-SG 3.34Å; F63-C66 PolarHBondContact O-N 3.11Å; C66-I69 PolarHBondContact O-N 3.08Å; C66-A70 PolarHBondContact O-N 2.9Å
67	S	59.3	Low	56.4	Low	59 Å²	59	88 Å²	88	41%	0.413	51%	0.506	S	S	.	.	H	α-helix	trans	-65.4	-40.9	177.8	-53.6	0	0	0	0	111.6	F63 D64 R65 A70 A71	F63-S67 WeakPolarHBondContact O-CB 3.46Å; F63-S67 PolarHBondContact O-N 3Å; F63-S67 PolarHBondContact O-OG 3.34Å; D64-S67 PolarHBondContact O-N 2.9Å; R65-S67 VanDerWaalsContact C-N 3.31Å; R65-S67 PolarHBondContact O-N 3.42Å; S67-A70 PolarHBondContact O-N 3.45Å; S67-A71 PolarHBondContact O-N 2.93Å
68	K	56.3	Low	54.6	Low	89 Å²	89	90.5 Å²	90.5	39%	0.387	52%	0.522	S	S	.	.	H	α-helix	trans	-63.4	-40.5	173.4	-71.1	176.7	-168.8	177	0	112.2	D64 R65 A71 V72 E97	D64-K68 WeakPolarHBondContact O-CG 3.5Å; D64-K68 PolarHBondContact O-N 3.34Å; R65-K68 PolarHBondContact O-N 3.46Å; K68-A71 PolarHBondContact O-N 3.44Å; K68-V72 VanDerWaalsContact O-CG2 3.29Å; K68-V72 WeakPolarHBondContact O-CG2 3.27Å; K68-V72 PolarHBondContact O-N 3.38Å; K68-V72 VanDerWaalsContact O-N 3.14Å; K68-E97 IonicContact NZ-OE2 3.9Å; K68-E97 PolarHBondContact NZ-OE2 3.24Å
69	I	52.2	Low	53	Low	105 Å²	105	96.1 Å²	96.1	54%	0.538	53%	0.533	S	S	.	.	H	α-helix	trans	-64.6	-46.6	179.1	-67.6	164.8	0	0	0	110.5	R65 C66 A71 V72 S73	R65-I69 HydrophobicContact CG-CD1 4.19Å; R65-I69 WeakPolarHBondContact O-CG1 3.45Å; R65-I69 PolarHBondContact O-N 2.92Å; C66-I69 PolarHBondContact O-N 3.08Å; I69-A71 VanDerWaalsContact C-N 3.28Å; I69-A71 PolarHBondContact O-N 3.37Å; I69-V72 PolarHBondContact O-N 3.47Å; I69-V72 VanDerWaalsContact O-N 3.1Å; I69-S73 PolarHBondContact O-N 2.88Å; I69-S73 PolarHBondContact O-OG 3.34Å
70	A	46.5	Very low	51	Low	55 Å²	55	101 Å²	101	46%	0.455	55%	0.553	S	S	.	*	H	α-helix	trans	-57.2	-42.3	177.9	0	0	0	0	0	112	C66 S67 V72 S73	C66-A70 PolarHBondContact O-N 2.9Å; S67-A70 PolarHBondContact O-N 3.45Å; A70-V72 VanDerWaalsContact C-N 3.34Å; A70-V72 PolarHBondContact O-N 3.27Å; A70-S73 WeakPolarHBondContact CA-OG 3.44Å; A70-S73 PolarHBondContact O-OG 3.21Å
71	A	47.5	Very low	49.2	Very low	46 Å²	46	106.9 Å²	106.9	38%	0.38	59%	0.585	S	S	.	*	H	α-helix	trans	-68.1	-28.7	177.7	0	0	0	0	0	114	S67 K68 I69 F100	S67-A71 PolarHBondContact O-N 2.93Å; K68-A71 PolarHBondContact O-N 3.44Å; I69-A71 VanDerWaalsContact C-N 3.28Å; I69-A71 PolarHBondContact O-N 3.37Å; A71-F100 HydrophobicContact CB-CD1 4.04Å; A71-F100 HydrophobicContact CB-CE1 4.14Å
72	V	50.1	Low	47.4	Very low	107 Å²	107	109.8 Å²	109.8	65%	0.648	60%	0.598	S	S	*	*	H	α-helix	trans	-86.3	-28.7	179.9	176.5	0	0	0	0	111.8	K68 I69 A70 D74 G75	K68-V72 VanDerWaalsContact O-CG2 3.29Å; K68-V72 WeakPolarHBondContact O-CG2 3.27Å; K68-V72 PolarHBondContact O-N 3.38Å; K68-V72 VanDerWaalsContact O-N 3.14Å; I69-V72 PolarHBondContact O-N 3.47Å; I69-V72 VanDerWaalsContact O-N 3.1Å; A70-V72 VanDerWaalsContact C-N 3.34Å; A70-V72 PolarHBondContact O-N 3.27Å; V72-D74 PolarHBondContact O-N 2.93Å; V72-G75 PolarHBondContact O-N 2.76Å
73	S	45.1	Very low	45.7	Very low	78 Å²	78	110.2 Å²	110.2	55%	0.545	61%	0.609	S	S	.	*	H	α-helix	trans	-69.6	-14.9	179	39.6	0	0	0	0	114.8	I69 A70	I69-S73 PolarHBondContact O-N 2.88Å; I69-S73 PolarHBondContact O-OG 3.34Å; A70-S73 WeakPolarHBondContact CA-OG 3.44Å; A70-S73 PolarHBondContact O-OG 3.21Å
74	D	43.8	Very low	44	Very low	131 Å²	131	113.5 Å²	113.5	70%	0.701	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-3.2	173.2	-79.3	-43	0	0	0	113.8	V72	V72-D74 PolarHBondContact O-N 2.93Å
75	G	36.5	Very low	42.4	Very low	59 Å²	59	117.6 Å²	117.6	61%	0.608	67%	0.667	S	S	*	*	S	Bend	trans	-113.2	70	177.7	0	0	0	0	0	112.2	V72	V72-G75 PolarHBondContact O-N 2.76Å
76	N	31.9	Very low	41.1	Very low	132 Å²	132	117.5 Å²	117.5	71%	0.706	68%	0.679	S	S	*	*			trans	-70.4	134.3	-179.5	-121.5	-0.5	0	0	0	112.3
77	H	32	Very low	40.2	Very low	170 Å²	170	119.5 Å²	119.5	79%	0.787	69%	0.694	S	S	*	*			trans	69	87.5	159	-63.8	-64.2	0	0	0	119.7
78	A	34.6	Very low	39	Very low	101 Å²	101	121.4 Å²	121.4	84%	0.835	71%	0.713	S	S	*	*			trans	-137.3	100.7	149	0	0	0	0	0	110.9
79	K	35.4	Very low	37.8	Very low	190 Å²	190	122.1 Å²	122.1	83%	0.826	74%	0.735	S	S	*	*			trans	30.8	113.9	156.6	-69.9	178.7	176.6	177.4	0	118.8	D81	K79-D81 PolarHBondContact O-N 3.2Å; K79-D81 VanDerWaalsContact O-N 3.14Å
80	E	30.4	Very low	36.8	Very low	197 Å²	197	128.6 Å²	128.6	92%	0.921	75%	0.753	S	S	*	*			trans	-56.1	106.1	153.1	-65	178.6	151.6	0	0	109.9
81	D	36.1	Very low	36.1	Very low	150 Å²	150	135.9 Å²	135.9	80%	0.802	77%	0.774	S	S	*	*			trans	-114.1	120.3	156.7	-83.9	-36	0	0	0	108.9	K79 A83	K79-D81 PolarHBondContact O-N 3.2Å; K79-D81 VanDerWaalsContact O-N 3.14Å; D81-A83 PolarHBondContact O-N 3.36Å
82	K	32.9	Very low	35.1	Very low	216 Å²	216	138.8 Å²	138.8	94%	0.939	79%	0.792	S	S	*	*			trans	-86.7	101	-172.3	-165.9	-179.1	-171.3	177.3	0	107.9
83	A	35.3	Very low	34.1	Very low	84 Å²	84	139.7 Å²	139.7	69%	0.694	80%	0.8	S	S	*	*			trans	-140.5	108	174.3	0	0	0	0	0	111.8	D81	D81-A83 PolarHBondContact O-N 3.36Å
84	D	31.2	Very low	33.4	Very low	155 Å²	155	143 Å²	143	83%	0.829	81%	0.811	S	S	*	*			trans	47.2	76.7	145.9	-52.3	-25.2	0	0	0	119	D86	D84-D86 PolarHBondContact O-N 3.27Å
85	A	34	Very low	33.1	Very low	104 Å²	104	144 Å²	144	86%	0.86	82%	0.815	S	S	*	*			trans	-83.5	76.1	166.8	0	0	0	0	0	111.5
86	D	35.8	Very low	33.5	Very low	168 Å²	168	148.8 Å²	148.8	90%	0.898	82%	0.822	S	S	*	*	S	Bend	trans	-144	15.6	170.2	-109.2	-13.2	0	0	0	115.6	D84	D84-D86 PolarHBondContact O-N 3.27Å
87	S	37.2	Very low	34.3	Very low	114 Å²	114	148 Å²	148	80%	0.797	81%	0.814	S	S	*	*	S	Bend	trans	-128.1	1.8	-176.2	65.8	0	0	0	0	117.2
88	A	34.7	Very low	35.3	Very low	98 Å²	98	142.7 Å²	142.7	81%	0.81	79%	0.793	S	S	*	*			trans	-97.1	6.9	-172.5	0	0	0	0	0	116.2	R90	A88-R90 VanDerWaalsContact C-N 3.25Å; A88-R90 PolarHBondContact O-N 2.96Å
89	A	30.1	Very low	36.1	Very low	104 Å²	104	138.5 Å²	138.5	86%	0.86	76%	0.758	S	S	*	*			trans	-80.6	26.2	-173	0	0	0	0	0	115.9
90	R	31.1	Very low	37.1	Very low	242 Å²	242	134.9 Å²	134.9	91%	0.913	74%	0.742	S	S	*	*			trans	-145.1	71.1	178.5	-66.9	-172.6	-178.1	-158	1.1	113.1	A88	A88-R90 VanDerWaalsContact C-N 3.25Å; A88-R90 PolarHBondContact O-N 2.96Å
91	K	32.5	Very low	38.6	Very low	208 Å²	208	127.2 Å²	127.2	90%	0.904	71%	0.707	S	S	*	*			trans	-139.5	132.8	156	-84.9	-174.9	-179.9	172.3	0	110.7
92	S	26.6	Very low	39.6	Very low	106 Å²	106	124.7 Å²	124.7	74%	0.741	70%	0.699	S	S	*	*			trans	-64	157.4	-163.2	-37.5	0	0	0	0	115.6	D94	S92-D94 PolarHBondContact O-N 3.49Å
93	P	28.3	Very low	40.9	Very low	126 Å²	126	116.2 Å²	116.2	82%	0.818	67%	0.673	S	S	*	*	S	Bend	trans	-90.4	27.1	-160.8	37.6	-36.8	0	0	0	117.2
94	D	30.9	Very low	42.2	Very low	148 Å²	148	113 Å²	113	79%	0.791	64%	0.643	S	S	*	*			trans	-114.5	18.3	-168.3	-75.3	-31.8	0	0	0	116.7	S92	S92-D94 PolarHBondContact O-N 3.49Å
95	I	38.2	Very low	43.8	Very low	151 Å²	151	113 Å²	113	77%	0.774	64%	0.638	S	S	*	*			trans	-100.4	96.3	176.9	-52	177.8	0	0	0	109.5	E97	I95-E97 PolarHBondContact O-N 3.49Å
96	E	44.6	Very low	45.4	Very low	160 Å²	160	115.8 Å²	115.8	75%	0.748	63%	0.634	S	S	*	*			trans	-56.5	102.1	168.2	-158.6	172.9	-156.4	0	0	108.6	T98	E96-T98 PolarHBondContact O-N 3.45Å
97	E	49	Very low	47	Very low	116 Å²	116	108 Å²	108	54%	0.542	59%	0.592	S	S	.	*			trans	-57.7	107.6	-174.8	-69.4	-173.2	-174	0	0	110.5	R52 K68 I95	R52-E97 PolarHBondContact NH1-O 3.03Å; K68-E97 IonicContact NZ-OE2 3.9Å; K68-E97 PolarHBondContact NZ-OE2 3.24Å; I95-E97 PolarHBondContact O-N 3.49Å
98	T	51.7	Low	48.9	Very low	58 Å²	58	107.5 Å²	107.5	36%	0.356	58%	0.58	S	S	.	*			trans	-70.6	153.8	175.3	39.2	0	0	0	0	111.5	E96 Q104 V116	E96-T98 PolarHBondContact O-N 3.45Å; T98-Q104 PolarHBondContact OG1-NE2 3.35Å; T98-V116 HydrophobicContact CG2-CG2 4.24Å
99	P	52.8	Low	51	Low	14 Å²	14	107.5 Å²	107.5	9%	0.091	57%	0.571	C	S	.	*			trans	-49.9	141.8	175.4	-18.1	25.7	0	0	0	111.2	I101 Q104 V116	P99-I101 PolarHBondContact O-N 2.93Å; P99-Q104 PolarHBondContact O-NE2 3.45Å; P99-Q104 PolarHBondContact O-OE1 3.21Å; P99-V116 HydrophobicContact CG-CG2 4.49Å
100	F	56.1	Low	53.3	Low	113 Å²	113	107 Å²	107	50%	0.496	55%	0.551	S	S	.	*			trans	-90.5	97.7	170.5	-173.1	-97.4	0	0	0	108	A71	A71-F100 HydrophobicContact CB-CD1 4.04Å; A71-F100 HydrophobicContact CB-CE1 4.14Å
101	I	61.9	Low	55.5	Low	37 Å²	37	98.6 Å²	98.6	19%	0.19	52%	0.522	C	S	.	.			trans	-106.6	128.7	166.4	-61.4	164.6	0	0	0	106.3	P99 G103 Q104 L115 L143 P149	P99-I101 PolarHBondContact O-N 2.93Å; I101-G103 PolarHBondContact O-N 3.43Å; I101-Q104 WeakPolarHBondContact O-CB 3.33Å; I101-Q104 PolarHBondContact O-N 3Å; I101-L115 HydrophobicContact CD1-CD2 3.84Å; I101-L115 HydrophobicContact CD1-CG 4.39Å; I101-L143 HydrophobicContact CD1-CD2 3.71Å; I101-L143 HydrophobicContact CG1-CD2 4.08Å; I101-L143 HydrophobicContact CG2-CD2 3.86Å; I101-P149 HydrophobicContact CG2-CG 3.95Å
102	P	56.4	Low	57.6	Low	97 Å²	97	92.5 Å²	92.5	63%	0.63	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	131.6	173.7	-26.2	34.5	0	0	0	111.3
103	G	61.7	Low	60	Low	38 Å²	38	88.1 Å²	88.1	39%	0.392	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	-4.6	-176.3	0	0	0	0	0	115.9	I101 E105 E106	I101-G103 PolarHBondContact O-N 3.43Å; G103-E105 PolarHBondContact O-N 3.2Å; G103-E105 VanDerWaalsContact O-N 3.16Å; G103-E106 PolarHBondContact O-N 2.79Å
104	Q	61.9	Low	62.4	Low	15 Å²	15	84.2 Å²	84.2	7%	0.07	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-64.5	-18.9	175.5	-171.7	174.7	-63.4	0	0	113.2	T98 P99 I101 E106 L107 R112 L115	T98-Q104 PolarHBondContact OG1-NE2 3.35Å; P99-Q104 PolarHBondContact O-NE2 3.45Å; P99-Q104 PolarHBondContact O-OE1 3.21Å; I101-Q104 WeakPolarHBondContact O-CB 3.33Å; I101-Q104 PolarHBondContact O-N 3Å; Q104-E106 PolarHBondContact O-N 3.43Å; Q104-L107 HydrophobicContact CG-CD1 4.34Å; Q104-L107 PolarHBondContact O-N 3.36Å; Q104-R112 HydrophobicContact CG-CG 4.04Å; Q104-R112 PolarHBondContact O-NE 3.26Å; Q104-R112 PolarHBondContact O-NH2 3.38Å; Q104-L115 HydrophobicContact CG-CD2 4.43Å
105	E	64.2	Low	64.6	Low	155 Å²	155	77.7 Å²	77.7	72%	0.724	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-62.6	-28.7	178.2	-62.8	-173.2	176	0	0	112.6	G103 R112	G103-E105 PolarHBondContact O-N 3.2Å; G103-E105 VanDerWaalsContact O-N 3.16Å; E105-R112 PolarHBondContact O-NH2 3.39Å
106	E	67.4	Low	66.4	Low	164 Å²	164	72.1 Å²	72.1	77%	0.766	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-80	-18.9	179.6	-61	179.4	178.3	0	0	113	G103 Q104	G103-E106 PolarHBondContact O-N 2.79Å; Q104-E106 PolarHBondContact O-N 3.43Å
107	L	69.8	Low	68.1	Low	5 Å²	5	65.5 Å²	65.5	3%	0.026	34%	0.34	C	S	.	.	S	Bend	trans	-74	137.4	-178.9	-67.2	-175.3	0	0	0	112.5	Q104 Q111 R112 L115 P149 D150 L153	Q104-L107 HydrophobicContact CG-CD1 4.34Å; Q104-L107 PolarHBondContact O-N 3.36Å; L107-Q111 HydrophobicContact CB-CB 4.02Å; L107-Q111 HydrophobicContact CD1-CB 4.38Å; L107-Q111 HydrophobicContact CD2-CB 4Å; L107-Q111 HydrophobicContact CG-CB 4.37Å; L107-R112 HydrophobicContact CB-CG 3.67Å; L107-R112 HydrophobicContact CD1-CG 4.39Å; L107-R112 PolarHBondContact O-NE 2.99Å; L107-R112 PolarHBondContact O-NH2 2.93Å; L107-L115 HydrophobicContact CD1-CD2 3.96Å; L107-P149 HydrophobicContact CD1-CB 3.51Å; L107-P149 HydrophobicContact CD2-CB 4.36Å; L107-P149 HydrophobicContact CG-CB 4.09Å; L107-D150 HydrophobicContact CD2-CB 4.37Å; L107-D150 WeakPolarHBondContact CD2-OD1 3.08Å; L107-L153 HydrophobicContact CD1-CD1 4.19Å; L107-L153 HydrophobicContact CD2-CD1 4.27Å
108	N	77.8	Confident	69.4	Low	102 Å²	102	63.4 Å²	63.4	55%	0.545	33%	0.327	S	S	.	.			trans	-66.7	158.7	170.2	-165.6	1.2	0	0	0	110.9	E110 Q111 R112	N108-E110 PolarHBondContact O-N 2.9Å; N108-E110 VanDerWaalsContact O-N 3.12Å; N108-Q111 PolarHBondContact O-N 3.3Å; N108-R112 PolarHBondContact O-N 2.96Å
109	T	77.3	Confident	70.7	Confident	99 Å²	99	62.7 Å²	62.7	61%	0.607	32%	0.319	S	S	*	.	H	α-helix	trans	-50.6	-37	179.7	54.8	0	0	0	0	114	H113	T109-H113 PolarHBondContact O-N 3.17Å; T109-H113 VanDerWaalsContact O-N 3.14Å
110	E	78.8	Confident	72.1	Confident	94 Å²	94	64.2 Å²	64.2	44%	0.439	33%	0.327	S	S	.	.	H	α-helix	trans	-71.4	-41.8	175.6	-171	173	-165.8	0	0	112.2	N108 H113 L114	N108-E110 PolarHBondContact O-N 2.9Å; N108-E110 VanDerWaalsContact O-N 3.12Å; E110-H113 WeakPolarHBondContact O-CB 3.34Å; E110-H113 PolarHBondContact O-N 3.35Å; E110-L114 WeakPolarHBondContact O-CG 3.36Å; E110-L114 PolarHBondContact O-N 3.41Å
111	Q	78.1	Confident	73.4	Confident	65 Å²	65	60.4 Å²	60.4	30%	0.304	31%	0.31	S	S	.	.	H	α-helix	trans	-66.1	-40.7	177.2	-68.3	173.4	-60.9	0	0	111.6	L107 N108 H113 L114 L115 D150 L153	L107-Q111 HydrophobicContact CB-CB 4.02Å; L107-Q111 HydrophobicContact CD1-CB 4.38Å; L107-Q111 HydrophobicContact CD2-CB 4Å; L107-Q111 HydrophobicContact CG-CB 4.37Å; N108-Q111 PolarHBondContact O-N 3.3Å; Q111-H113 VanDerWaalsContact C-N 3.29Å; Q111-H113 PolarHBondContact O-N 2.72Å; Q111-L114 PolarHBondContact O-N 3.21Å; Q111-L115 PolarHBondContact O-N 2.91Å; Q111-D150 PolarHBondContact NE2-OD1 2.92Å; Q111-L153 HydrophobicContact CB-CD1 3.8Å; Q111-L153 HydrophobicContact CG-CD1 4.32Å
112	R	75.3	Confident	74.3	Confident	80 Å²	80	64.4 Å²	64.4	30%	0.302	33%	0.331	S	S	.	.	H	α-helix	trans	-59.5	-41.2	172.7	-66.9	-173.9	-173.1	159.2	9.6	111.6	Q104 E105 L107 N108 L115 V116	Q104-R112 HydrophobicContact CG-CG 4.04Å; Q104-R112 PolarHBondContact O-NE 3.26Å; Q104-R112 PolarHBondContact O-NH2 3.38Å; E105-R112 PolarHBondContact O-NH2 3.39Å; L107-R112 HydrophobicContact CB-CG 3.67Å; L107-R112 HydrophobicContact CD1-CG 4.39Å; L107-R112 PolarHBondContact O-NE 2.99Å; L107-R112 PolarHBondContact O-NH2 2.93Å; N108-R112 PolarHBondContact O-N 2.96Å; R112-L115 PolarHBondContact O-N 3.36Å; R112-V116 WeakPolarHBondContact O-CG2 3.4Å; R112-V116 PolarHBondContact O-N 3.36Å
113	H	77.6	Confident	75.5	Confident	13 Å²	13	61.2 Å²	61.2	6%	0.06	31%	0.311	C	S	.	.	H	α-helix	trans	-60.4	-45.5	174.6	-175.8	59.5	0	0	0	112.2	T109 E110 Q111 L115 V116 H117 L433 K436 E440	T109-H113 PolarHBondContact O-N 3.17Å; T109-H113 VanDerWaalsContact O-N 3.14Å; E110-H113 WeakPolarHBondContact O-CB 3.34Å; E110-H113 PolarHBondContact O-N 3.35Å; Q111-H113 VanDerWaalsContact C-N 3.29Å; Q111-H113 PolarHBondContact O-N 2.72Å; H113-L115 VanDerWaalsContact C-N 3.3Å; H113-L115 PolarHBondContact O-N 2.87Å; H113-V116 PolarHBondContact O-N 3.06Å; H113-H117 AromaticContact CD2-NE2 3.42Å; H113-H117 PolarHBondContact CD2-NE2 2.63Å; H113-H117 AromaticContact CE1-CE1 3.46Å; H113-H117 PolarHBondContact CE1-CE1 2.67Å; H113-H117 VanDerWaalsContact CE1-CE1 3.46Å; H113-H117 AromaticContact CE1-NE2 3.31Å; H113-H117 PolarHBondContact CE1-NE2 2.79Å; H113-H117 VanDerWaalsContact CE1-NE2 3.31Å; H113-H117 AromaticContact CG-NE2 3.95Å; H113-H117 AromaticContact ND1-NE2 3.91Å; H113-H117 AromaticContact NE2-CE1 3.6Å; H113-H117 AromaticContact NE2-NE2 2.99Å; H113-H117 PolarHBondContact NE2-NE2 3.01Å; H113-H117 PolarHBondContact O-CD2 3.17Å; H113-H117 PolarHBondContact O-N 3Å; H113-L433 PolarHBondContact NE2-O 3.16Å; H113-L433 VanDerWaalsContact NE2-O 3.09Å; H113-K436 HydrophobicContact CB-CG 4.18Å; H113-K436 VanDerWaalsContact CE1-CG 3.44Å; H113-K436 WeakPolarHBondContact CE1-CG 3.49Å; H113-K436 WeakPolarHBondContact ND1-CE 3.47Å; H113-K436 VanDerWaalsContact ND1-CG 3.29Å; H113-K436 WeakPolarHBondContact ND1-CG 3.31Å; H113-E440 IonicContact CE1-OE1 2.68Å; H113-E440 PolarHBondContact CE1-OE1 3.28Å; H113-E440 IonicContact CE1-OE2 3.48Å; H113-E440 PolarHBondContact CE1-OE2 3.08Å; H113-E440 IonicContact NE2-OE1 3.73Å; H113-E440 PolarHBondContact NE2-OE1 3.34Å; H113-E440 IonicContact NE2-OE2 2.7Å
114	L	79.5	Confident	76.5	Confident	45 Å²	45	71.1 Å²	71.1	24%	0.236	34%	0.337	C	S	.	.	H	α-helix	trans	-65.7	-32.8	177.7	-65.4	174.4	0	0	0	112.6	E110 Q111 H117 L153 Y426 K434	E110-L114 WeakPolarHBondContact O-CG 3.36Å; E110-L114 PolarHBondContact O-N 3.41Å; Q111-L114 PolarHBondContact O-N 3.21Å; L114-H117 WeakPolarHBondContact O-CB 3.3Å; L114-H117 PolarHBondContact O-N 3.36Å; L114-L153 HydrophobicContact CB-CD2 3.98Å; L114-Y426 VanDerWaalsContact CD2-OH 3.27Å; L114-Y426 WeakPolarHBondContact CD2-OH 3.35Å; L114-K434 HydrophobicContact CD2-CB 4.45Å
115	L	76.4	Confident	77.6	Confident	10 Å²	10	74.7 Å²	74.7	5%	0.052	35%	0.353	C	S	.	.	H	α-helix	trans	-66.3	-42.6	177.9	-168.4	67.2	0	0	0	111.5	I101 Q104 L107 Q111 R112 H113 H117 R118 E119 P149 Y152 L153	I101-L115 HydrophobicContact CD1-CD2 3.84Å; I101-L115 HydrophobicContact CD1-CG 4.39Å; Q104-L115 HydrophobicContact CG-CD2 4.43Å; L107-L115 HydrophobicContact CD1-CD2 3.96Å; Q111-L115 PolarHBondContact O-N 2.91Å; R112-L115 PolarHBondContact O-N 3.36Å; H113-L115 VanDerWaalsContact C-N 3.3Å; H113-L115 PolarHBondContact O-N 2.87Å; L115-H117 PolarHBondContact O-N 3.05Å; L115-R118 PolarHBondContact O-N 2.98Å; L115-E119 PolarHBondContact O-N 2.91Å; L115-P149 HydrophobicContact CD2-CB 4.09Å; L115-Y152 HydrophobicContact CD1-CD1 3.66Å; L115-Y152 HydrophobicContact CD1-CE1 4.18Å; L115-L153 HydrophobicContact CB-CD2 4.32Å; L115-L153 HydrophobicContact CD1-CD2 4.21Å; L115-L153 HydrophobicContact CD1-CG 4.22Å
116	V	77.4	Confident	78.9	Confident	34 Å²	34	71.1 Å²	71.1	21%	0.206	34%	0.339	C	S	.	.	H	α-helix	trans	-58.1	-34.2	176	172.9	0	0	0	0	111.9	T98 P99 R112 H113 R118 E119	T98-V116 HydrophobicContact CG2-CG2 4.24Å; P99-V116 HydrophobicContact CG-CG2 4.49Å; R112-V116 WeakPolarHBondContact O-CG2 3.4Å; R112-V116 PolarHBondContact O-N 3.36Å; H113-V116 PolarHBondContact O-N 3.06Å; V116-R118 PolarHBondContact O-N 2.93Å; V116-E119 PolarHBondContact O-N 2.7Å
117	H	79.3	Confident	80.1	Confident	22 Å²	22	66.1 Å²	66.1	10%	0.102	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.7	177.1	-67.8	-32.3	0	0	0	114.2	H113 L114 L115 Y430 L433	H113-H117 AromaticContact CD2-NE2 3.42Å; H113-H117 PolarHBondContact CD2-NE2 2.63Å; H113-H117 AromaticContact CE1-CE1 3.46Å; H113-H117 PolarHBondContact CE1-CE1 2.67Å; H113-H117 VanDerWaalsContact CE1-CE1 3.46Å; H113-H117 AromaticContact CE1-NE2 3.31Å; H113-H117 PolarHBondContact CE1-NE2 2.79Å; H113-H117 VanDerWaalsContact CE1-NE2 3.31Å; H113-H117 AromaticContact CG-NE2 3.95Å; H113-H117 AromaticContact ND1-NE2 3.91Å; H113-H117 AromaticContact NE2-CE1 3.6Å; H113-H117 AromaticContact NE2-NE2 2.99Å; H113-H117 PolarHBondContact NE2-NE2 3.01Å; H113-H117 PolarHBondContact O-CD2 3.17Å; H113-H117 PolarHBondContact O-N 3Å; L114-H117 WeakPolarHBondContact O-CB 3.3Å; L114-H117 PolarHBondContact O-N 3.36Å; L115-H117 PolarHBondContact O-N 3.05Å; H117-Y430 HydrophobicContact CB-CD1 4.29Å; H117-L433 PolarHBondContact NE2-O 2.95Å
118	R	77.3	Confident	81.2	Confident	71 Å²	71	69.5 Å²	69.5	27%	0.268	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-10	178.7	-61.6	-170	179.7	-159.1	2.7	113	L115 V116 Y152 L153 K155	L115-R118 PolarHBondContact O-N 2.98Å; V116-R118 PolarHBondContact O-N 2.93Å; R118-Y152 HydrophobicContact CB-CE1 3.87Å; R118-Y152 HydrophobicContact CG-CE1 4.44Å; R118-Y152 PolarHBondContact NH1-O 3.37Å; R118-L153 PolarHBondContact NH1-O 3.32Å; R118-L153 PolarHBondContact NH2-O 2.99Å; R118-K155 PolarHBondContact NH1-O 3.49Å
119	E	78.7	Confident	82	Confident	43 Å²	43	66.4 Å²	66.4	20%	0.201	32%	0.319	C	S	.	.			trans	-73.5	126.1	178.8	-168.7	-174.1	-161.2	0	0	110.9	R52 L115 V116 F121	R52-E119 IonicContact CZ-OE1 3.24Å; R52-E119 IonicContact CZ-OE2 3.47Å; R52-E119 IonicContact NE-OE1 3.57Å; R52-E119 IonicContact NE-OE2 3.15Å; R52-E119 PolarHBondContact NE-OE2 2.78Å; R52-E119 IonicContact NH2-OE1 2.73Å; R52-E119 PolarHBondContact NH2-OE1 3.45Å; R52-E119 IonicContact NH2-OE2 3.65Å; R52-E119 PolarHBondContact NH2-OE2 3.12Å; L115-E119 PolarHBondContact O-N 2.91Å; V116-E119 PolarHBondContact O-N 2.7Å; E119-F121 HydrophobicContact CG-CE2 3.97Å; E119-F121 HydrophobicContact CG-CZ 4.18Å; E119-F121 VanDerWaalsContact OE1-CZ 3.23Å; E119-F121 WeakPolarHBondContact OE1-CZ 3.14Å
120	L	82.6	Confident	82.7	Confident	46 Å²	46	64.2 Å²	64.2	24%	0.241	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	136.4	175.8	-64.1	173.7	0	0	0	110	I28 F49 F50 R51 V140	I28-L120 HydrophobicContact CD1-CD1 3.91Å; I28-L120 HydrophobicContact CD1-CD2 3.43Å; I28-L120 VanDerWaalsContact CD1-CD2 3.43Å; I28-L120 HydrophobicContact CD1-CG 4.29Å; I28-L120 HydrophobicContact CG2-CD1 4.02Å; F49-L120 HydrophobicContact CD1-CB 4.21Å; F50-L120 WeakPolarHBondContact O-CA 3.27Å; R51-L120 HydrophobicContact CG-CD2 3.75Å; L120-V140 HydrophobicContact CD1-CG1 4.04Å; L120-V140 HydrophobicContact CD1-CG2 3.75Å
121	F	81.8	Confident	83.3	Confident	33 Å²	33	59.9 Å²	59.9	15%	0.145	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	123.5	175.6	-63	-94	0	0	0	109.3	F49 F50 R52 I55 L60 F63 E119 S123	F49-F121 WeakPolarHBondContact CA-O 3.36Å; F50-F121 PolarHBondContact N-O 2.83Å; F50-F121 WeakPolarHBondContact O-CD2 3.44Å; F50-F121 PolarHBondContact O-N 3.26Å; R52-F121 HydrophobicContact CB-CE2 4.07Å; I55-F121 HydrophobicContact CD1-CB 3.7Å; I55-F121 HydrophobicContact CD1-CD1 3.94Å; I55-F121 HydrophobicContact CD1-CD2 3.22Å; I55-F121 HydrophobicContact CD1-CE1 4.39Å; I55-F121 HydrophobicContact CD1-CE2 3.76Å; I55-F121 HydrophobicContact CD1-CG 3.32Å; I55-F121 HydrophobicContact CD1-CZ 4.31Å; I55-F121 HydrophobicContact CG1-CD2 4.45Å; L60-F121 HydrophobicContact CD1-CE2 4.29Å; L60-F121 HydrophobicContact CD1-CZ 3.94Å; F63-F121 HydrophobicContact CB-CE1 4.13Å; F63-F121 HydrophobicContact CD1-CD1 4.45Å; F63-F121 HydrophobicContact CD1-CE1 4.41Å; F63-F121 HydrophobicContact CD2-CE1 4.38Å; F63-F121 HydrophobicContact CG-CD1 4.41Å; F63-F121 HydrophobicContact CG-CE1 4.08Å; E119-F121 HydrophobicContact CG-CE2 3.97Å; E119-F121 HydrophobicContact CG-CZ 4.18Å; E119-F121 VanDerWaalsContact OE1-CZ 3.23Å; E119-F121 WeakPolarHBondContact OE1-CZ 3.14Å; F121-S123 PolarHBondContact O-N 2.55Å
122	L	81.2	Confident	83.9	Confident	122 Å²	122	61 Å²	61	64%	0.639	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	122.7	172.3	179.5	65.2	0	0	0	109.6	M47 F49	M47-L122 HydrophobicContact CG-CD1 4.42Å; M47-L122 HydrophobicContact SD-CD1 3.56Å; M47-L122 VanDerWaalsContact SD-CD1 3.56Å; F49-L122 HydrophobicContact CD1-CD1 4.5Å; F49-L122 HydrophobicContact CE1-CB 4.3Å; F49-L122 HydrophobicContact CE1-CD1 3.66Å; F49-L122 HydrophobicContact CE2-CD1 4.14Å; F49-L122 HydrophobicContact CZ-CD1 3.42Å; F49-L122 VanDerWaalsContact CZ-CD1 3.42Å
123	S	81.8	Confident	84.7	Confident	30 Å²	30	60 Å²	60	21%	0.21	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	149	173	-178.3	0	0	0	0	111.4	M47 C48 F50 F121 Q125	M47-S123 WeakPolarHBondContact CG-O 3.39Å; C48-S123 WeakPolarHBondContact O-CB 3.32Å; C48-S123 PolarHBondContact O-N 2.98Å; F50-S123 VanDerWaalsContact CE2-CB 3.45Å; F121-S123 PolarHBondContact O-N 2.55Å; S123-Q125 PolarHBondContact O-N 3.14Å; S123-Q125 VanDerWaalsContact OG-CB 3.26Å; S123-Q125 WeakPolarHBondContact OG-CB 3.43Å; S123-Q125 PolarHBondContact OG-N 3.17Å
124	R	81.7	Confident	85.4	Confident	246 Å²	246	59.6 Å²	59.6	93%	0.928	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	-1.8	167.7	-63.2	-175.7	-178.8	-176.6	-0	112.6	I126	R124-I126 PolarHBondContact O-N 3.42Å
125	Q	87	Confident	85.8	Confident	89 Å²	89	60.7 Å²	60.7	42%	0.416	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	121.7	178.4	-175.6	166.5	-10.3	0	0	110.3	C48 S123 E127	C48-Q125 HydrophobicContact CB-CB 4.31Å; C48-Q125 PolarHBondContact N-O 3.35Å; S123-Q125 PolarHBondContact O-N 3.14Å; S123-Q125 VanDerWaalsContact OG-CB 3.26Å; S123-Q125 WeakPolarHBondContact OG-CB 3.43Å; S123-Q125 PolarHBondContact OG-N 3.17Å; Q125-E127 HydrophobicContact CG-CG 4.34Å; Q125-E127 PolarHBondContact NE2-OE1 3.49Å
126	I	90.5	Very high	86.5	Confident	81 Å²	81	61 Å²	61	42%	0.415	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.7	175	-59.8	173.8	0	0	0	107.6	K45 V46 R124	K45-I126 HydrophobicContact CD-CG2 4.19Å; K45-I126 HydrophobicContact CG-CG2 3.47Å; K45-I126 VanDerWaalsContact CG-CG2 3.47Å; V46-I126 WeakPolarHBondContact O-CA 3.39Å; R124-I126 PolarHBondContact O-N 3.42Å
127	E	93	Very high	87.1	Confident	59 Å²	59	63.4 Å²	63.4	28%	0.276	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	152.5	176.3	-64.2	176.6	-174.1	0	0	109.9	R29 K45 V46 Q125 L129	R29-E127 IonicContact CZ-OE2 3.04Å; R29-E127 IonicContact NH1-OE2 3Å; R29-E127 PolarHBondContact NH1-OE2 3.34Å; R29-E127 IonicContact NH2-OE2 3.87Å; R29-E127 PolarHBondContact NH2-OE2 2.84Å; K45-E127 CarbonylContact C-O 3.59Å; K45-E127 WeakPolarHBondContact CA-O 3.36Å; V46-E127 VanDerWaalsContact CG2-O 3.22Å; V46-E127 WeakPolarHBondContact CG2-O 3.33Å; V46-E127 PolarHBondContact N-O 3.21Å; V46-E127 PolarHBondContact O-N 3.36Å; Q125-E127 HydrophobicContact CG-CG 4.34Å; Q125-E127 PolarHBondContact NE2-OE1 3.49Å; E127-L129 HydrophobicContact CB-CG 4.49Å
128	T	93	Very high	87.5	Confident	76 Å²	76	63.4 Å²	63.4	47%	0.466	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.8	171.5	-56.3	0	0	0	0	108.1	E43 A44	E43-T128 HydrophobicContact CB-CG2 3.86Å; A44-T128 WeakPolarHBondContact O-CA 3.21Å
129	L	93.1	Very high	87.8	Confident	37 Å²	37	64.8 Å²	64.8	19%	0.194	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	152.4	-177.4	-66.5	176.1	0	0	0	110.4	F18 R29 E43 A44 E127 A131	F18-L129 HydrophobicContact CD1-CB 4.37Å; F18-L129 HydrophobicContact CD1-CD1 3.8Å; F18-L129 HydrophobicContact CE1-CB 3.66Å; F18-L129 HydrophobicContact CE1-CD1 3.89Å; F18-L129 HydrophobicContact CE1-CG 4.44Å; F18-L129 HydrophobicContact CZ-CB 4.45Å; R29-L129 VanDerWaalsContact CZ-CD1 3.47Å; E43-L129 CarbonylContact C-O 3.59Å; E43-L129 WeakPolarHBondContact CA-O 3.35Å; A44-L129 PolarHBondContact N-O 2.92Å; A44-L129 PolarHBondContact O-N 3.11Å; E127-L129 HydrophobicContact CB-CG 4.49Å; L129-A131 PolarHBondContact O-N 3.48Å
130	P	92.9	Very high	87.9	Confident	52 Å²	52	64.4 Å²	64.4	34%	0.338	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	133.3	172.7	-25.9	34.8	0	0	0	111.4	T132 H133	P130-T132 WeakPolarHBondContact CB-OG1 3.47Å; P130-T132 PolarHBondContact O-N 2.98Å; P130-T132 VanDerWaalsContact O-N 3.13Å; P130-H133 WeakPolarHBondContact O-CB 3.44Å; P130-H133 PolarHBondContact O-N 3.27Å; P130-H133 VanDerWaalsContact O-N 3.09Å
131	A	91.4	Very high	87.4	Confident	3 Å²	3	63.9 Å²	63.9	3%	0.025	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-60.1	-26.9	179.1	0	0	0	0	0	111.5	V42 L129 H133 I134 I374	V42-A131 HydrophobicContact CB-CB 4.04Å; V42-A131 HydrophobicContact CG1-CB 3.98Å; V42-A131 VanDerWaalsContact O-CB 3.23Å; V42-A131 WeakPolarHBondContact O-CB 3.34Å; V42-A131 PolarHBondContact O-N 3.15Å; L129-A131 PolarHBondContact O-N 3.48Å; A131-H133 PolarHBondContact O-N 3.43Å; A131-I134 HydrophobicContact CB-CD1 4.48Å; A131-I134 WeakPolarHBondContact O-CB 3.36Å; A131-I134 WeakPolarHBondContact O-CG1 3.17Å; A131-I134 PolarHBondContact O-N 3.36Å; A131-I374 HydrophobicContact CB-CD1 4.08Å; A131-I374 WeakPolarHBondContact O-CD1 3.24Å
132	T	90.5	Very high	86.8	Confident	89 Å²	89	69.5 Å²	69.5	55%	0.546	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-57.7	-16	175.7	56.1	0	0	0	0	114.7	P130 I134	P130-T132 WeakPolarHBondContact CB-OG1 3.47Å; P130-T132 PolarHBondContact O-N 2.98Å; P130-T132 VanDerWaalsContact O-N 3.13Å; T132-I134 VanDerWaalsContact C-N 3.29Å
133	H	91.4	Very high	86	Confident	59 Å²	59	66.9 Å²	66.9	27%	0.273	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-76.6	-13.7	173.8	-66.9	172.6	0	0	0	113.6	F18 E19 P130 A131	F18-H133 HydrophobicContact CD1-CB 3.47Å; F18-H133 VanDerWaalsContact CD1-CB 3.47Å; F18-H133 HydrophobicContact CE1-CB 3.63Å; E19-H133 PolarHBondContact N-O 3.21Å; P130-H133 WeakPolarHBondContact O-CB 3.44Å; P130-H133 PolarHBondContact O-N 3.27Å; P130-H133 VanDerWaalsContact O-N 3.09Å; A131-H133 PolarHBondContact O-N 3.43Å
134	I	92.1	Very high	85	Confident	5 Å²	5	66.7 Å²	66.7	3%	0.026	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	127.9	178.9	-62	166.1	0	0	0	110.2	Y10 V16 Y17 F18 I31 A44 A131 T132 I374	Y10-I134 HydrophobicContact CD1-CG2 3.6Å; Y10-I134 HydrophobicContact CD2-CG2 4.33Å; Y10-I134 HydrophobicContact CE1-CG2 3.22Å; Y10-I134 HydrophobicContact CE2-CG2 4.04Å; Y10-I134 HydrophobicContact CG-CG2 4.12Å; Y10-I134 VanDerWaalsContact CZ-CG2 3.45Å; V16-I134 HydrophobicContact CB-CG2 3.92Å; V16-I134 HydrophobicContact CG1-CG2 3.96Å; V16-I134 HydrophobicContact CG2-CG1 4.3Å; Y17-I134 WeakPolarHBondContact O-CA 3.48Å; F18-I134 HydrophobicContact CD2-CG1 3.96Å; F18-I134 HydrophobicContact CE1-CG1 4.2Å; F18-I134 HydrophobicContact CE2-CD1 3.96Å; F18-I134 HydrophobicContact CE2-CG1 3.32Å; F18-I134 HydrophobicContact CZ-CD1 4Å; F18-I134 HydrophobicContact CZ-CG1 3.46Å; F18-I134 VanDerWaalsContact CZ-CG1 3.46Å; I31-I134 HydrophobicContact CD1-CD1 4Å; A44-I134 HydrophobicContact CB-CD1 4.43Å; A131-I134 HydrophobicContact CB-CD1 4.48Å; A131-I134 WeakPolarHBondContact O-CB 3.36Å; A131-I134 WeakPolarHBondContact O-CG1 3.17Å; A131-I134 PolarHBondContact O-N 3.36Å; T132-I134 VanDerWaalsContact C-N 3.29Å; I134-I374 HydrophobicContact CB-CD1 3.75Å; I134-I374 HydrophobicContact CD1-CD1 3.77Å; I134-I374 HydrophobicContact CG1-CD1 4.25Å; I134-I374 HydrophobicContact CG2-CD1 4.3Å
135	R	89.9	Confident	83.8	Confident	67 Å²	67	64.4 Å²	64.4	25%	0.253	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-15.1	-176.8	-55.6	-51.5	175.7	129.2	3.6	114.8	Y17 E19 Y26 Y377	Y17-R135 PolarHBondContact O-N 3.49Å; E19-R135 HydrophobicContact CB-CG 3.65Å; E19-R135 IonicContact OE2-CZ 3.64Å; E19-R135 IonicContact OE2-NE 2.9Å; E19-R135 PolarHBondContact OE2-NE 3.42Å; E19-R135 IonicContact OE2-NH1 3.27Å; E19-R135 PolarHBondContact OE2-NH1 3.21Å; E19-R135 IonicContact OE2-NH2 3.77Å; E19-R135 PolarHBondContact OE2-NH2 3.19Å; Y26-R135 HydrophobicContact CD1-CG 4.36Å; Y26-R135 HydrophobicContact CE1-CB 4.1Å; Y26-R135 HydrophobicContact CE1-CG 3.84Å; R135-Y377 VanDerWaalsContact NH1-CG 3.28Å
136	G	89.5	Confident	82	Confident	17 Å²	17	65.9 Å²	65.9	18%	0.175	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.2	162.7	179.5	0	0	0	0	0	111.8	Y10 V16 Y17	Y10-G136 WeakPolarHBondContact OH-CA 3.21Å; Y10-G136 PolarHBondContact OH-N 3.44Å; V16-G136 WeakPolarHBondContact CA-O 3.33Å; Y17-G136 PolarHBondContact N-O 3.23Å
137	K	89.7	Confident	80.6	Confident	85 Å²	85	63.2 Å²	63.2	37%	0.37	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	152.2	171.5	-59.5	-169	-171.7	-164	0	110.9	M9 Y10 D14 Y15	M9-K137 WeakPolarHBondContact O-CE 3.25Å; M9-K137 PolarHBondContact O-NZ 2.82Å; Y10-K137 HydrophobicContact CD1-CG 3.8Å; Y10-K137 HydrophobicContact CE1-CG 3.7Å; D14-K137 IonicContact OD1-NZ 3.72Å; D14-K137 WeakPolarHBondContact OD2-CE 3.34Å; D14-K137 IonicContact OD2-NZ 2.67Å; D14-K137 PolarHBondContact OD2-NZ 3.23Å; Y15-K137 CarbonylContact O-C 3.55Å; Y15-K137 WeakPolarHBondContact O-CA 3.48Å
138	C	88	Confident	79.3	Confident	21 Å²	21	64.1 Å²	64.1	14%	0.142	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	172.8	167.3	58.8	0	0	0	0	109.9	Y15 Y17	Y15-C138 VanDerWaalsContact C-SG 3.51Å; Y15-C138 WeakPolarHBondContact CB-O 3.42Å; Y15-C138 PolarHBondContact O-N 2.97Å; Y17-C138 HydrophobicContact CD2-CB 4.21Å; Y17-C138 HydrophobicContact CE1-CB 4.03Å; Y17-C138 HydrophobicContact CE2-CB 3.69Å
139	T	83.9	Confident	78.1	Confident	100 Å²	100	60.8 Å²	60.8	61%	0.613	33%	0.334	S	S	*	.			trans	-117.3	134.6	173.6	46.7	0	0	0	0	107.9	T157	T139-T157 HydrophobicContact CG2-CG2 4.34Å
140	V	81.2	Confident	76.9	Confident	36 Å²	36	61.1 Å²	61.1	22%	0.218	34%	0.337	C	S	.	.			trans	-122.5	112.5	173.2	179.4	0	0	0	0	106	Y15 I28 F49 L120	Y15-V140 HydrophobicContact CD1-CB 3.71Å; Y15-V140 HydrophobicContact CD1-CG2 3.47Å; Y15-V140 VanDerWaalsContact CD1-CG2 3.47Å; Y15-V140 HydrophobicContact CD2-CB 4.38Å; Y15-V140 HydrophobicContact CE1-CB 3.74Å; Y15-V140 HydrophobicContact CE1-CG1 4.32Å; Y15-V140 HydrophobicContact CE1-CG2 4Å; Y15-V140 HydrophobicContact CE2-CB 4.43Å; Y15-V140 HydrophobicContact CG-CB 4.03Å; Y15-V140 HydrophobicContact CG-CG2 3.81Å; I28-V140 HydrophobicContact CG2-CG2 4.03Å; F49-V140 HydrophobicContact CD1-CG1 4.42Å; F49-V140 HydrophobicContact CE1-CG1 4.16Å; L120-V140 HydrophobicContact CD1-CG1 4.04Å; L120-V140 HydrophobicContact CD1-CG2 3.75Å
141	A	72.3	Confident	75.8	Confident	35 Å²	35	61.8 Å²	61.8	29%	0.289	34%	0.337	S	S	.	.			trans	-102.6	148.3	175.9	0	0	0	0	0	109.2
142	L	68.9	Low	74.6	Confident	150 Å²	150	63.1 Å²	63.1	79%	0.785	34%	0.342	S	S	*	.			trans	-75.7	134.2	163.9	-66.3	171.7	0	0	0	107.2	N144	L142-N144 PolarHBondContact O-N 3.07Å
143	L	63.6	Low	73.6	Confident	67 Å²	67	60.1 Å²	60.1	35%	0.351	32%	0.322	S	S	.	.			trans	-69.8	113.8	170	179.9	68.2	0	0	0	107.2	I101 E147 Y152	I101-L143 HydrophobicContact CD1-CD2 3.71Å; I101-L143 HydrophobicContact CG1-CD2 4.08Å; I101-L143 HydrophobicContact CG2-CD2 3.86Å; L143-E147 HydrophobicContact CD1-CB 4.13Å; L143-Y152 HydrophobicContact CD1-CD1 4.49Å; L143-Y152 HydrophobicContact CD1-CD2 3.47Å; L143-Y152 VanDerWaalsContact CD1-CD2 3.47Å; L143-Y152 HydrophobicContact CD1-CE2 3.91Å; L143-Y152 HydrophobicContact CD1-CG 3.81Å
144	N	62.3	Low	72.5	Confident	26 Å²	26	64.9 Å²	64.9	14%	0.139	34%	0.342	C	S	.	.			trans	-68.7	144.1	172.2	-64.7	-46.1	0	0	0	109.2	L142 V146 E147 V159 A160	L142-N144 PolarHBondContact O-N 3.07Å; N144-V146 PolarHBondContact O-N 3.09Å; N144-E147 HydrophobicContact CB-CG 4.23Å; N144-E147 PolarHBondContact ND2-OE1 3.17Å; N144-E147 PolarHBondContact O-N 2.68Å; N144-E147 VanDerWaalsContact O-N 3.13Å; N144-V159 PolarHBondContact ND2-O 3.27Å; N144-A160 WeakPolarHBondContact ND2-CA 3.42Å; N144-A160 WeakPolarHBondContact OD1-CA 3.34Å; N144-A160 WeakPolarHBondContact OD1-CB 3.44Å
145	E	54.8	Low	71	Confident	198 Å²	198	68.3 Å²	68.3	93%	0.925	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-17.8	175.3	-64.8	177.4	178.5	0	0	113.2
146	V	50	Low	69.1	Low	121 Å²	121	73.6 Å²	73.6	73%	0.733	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-14.7	-174.9	-170.3	0	0	0	0	113.3	N144 T148	N144-V146 PolarHBondContact O-N 3.09Å; V146-T148 PolarHBondContact O-N 3.23Å
147	E	62.1	Low	66.6	Low	24 Å²	24	77.9 Å²	77.9	11%	0.112	41%	0.407	C	S	.	.			trans	-82.3	121.9	-176.9	-76.8	167.8	-170.8	0	0	111.7	L143 N144 L158	L143-E147 HydrophobicContact CD1-CB 4.13Å; N144-E147 HydrophobicContact CB-CG 4.23Å; N144-E147 PolarHBondContact ND2-OE1 3.17Å; N144-E147 PolarHBondContact O-N 2.68Å; N144-E147 VanDerWaalsContact O-N 3.13Å; E147-L158 HydrophobicContact CG-CD1 4.22Å; E147-L158 WeakPolarHBondContact OE1-CB 3.11Å; E147-L158 WeakPolarHBondContact OE1-CD1 3.37Å; E147-L158 WeakPolarHBondContact OE1-CD2 3.26Å; E147-L158 WeakPolarHBondContact OE1-CG 3.38Å; E147-L158 WeakPolarHBondContact OE2-CD1 3.34Å
148	T	65.6	Low	64.2	Low	79 Å²	79	75.9 Å²	75.9	49%	0.485	40%	0.401	S	S	.	.			trans	-65.8	140	171.9	60.1	0	0	0	0	109.6	V146 D150 D151 Y152	V146-T148 PolarHBondContact O-N 3.23Å; T148-D150 PolarHBondContact O-N 3.48Å; T148-D150 VanDerWaalsContact O-N 3.09Å; T148-D151 WeakPolarHBondContact O-CB 3.31Å; T148-D151 PolarHBondContact O-N 3.45Å; T148-D151 WeakPolarHBondContact OG1-CB 3.33Å; T148-Y152 PolarHBondContact O-N 2.94Å
149	P	66.4	Low	61.9	Low	5 Å²	5	81.3 Å²	81.3	3%	0.032	43%	0.433	C	S	.	.	H	α-helix	trans	-54.1	-31.7	179.8	-30.7	37.1	0	0	0	114.3	I101 L107 L115 Y152 L153	I101-P149 HydrophobicContact CG2-CG 3.95Å; L107-P149 HydrophobicContact CD1-CB 3.51Å; L107-P149 HydrophobicContact CD2-CB 4.36Å; L107-P149 HydrophobicContact CG-CB 4.09Å; L115-P149 HydrophobicContact CD2-CB 4.09Å; P149-Y152 PolarHBondContact O-N 3.23Å; P149-L153 VanDerWaalsContact O-CG 3.29Å; P149-L153 WeakPolarHBondContact O-CG 3.34Å; P149-L153 PolarHBondContact O-N 3.16Å
150	D	68	Low	59.8	Low	45 Å²	45	78.9 Å²	78.9	24%	0.241	42%	0.423	C	S	.	.	H	α-helix	trans	-67.2	-43.6	174.9	-89.9	-40.7	0	0	0	113.2	L107 Q111 T148 Y152 L153 K154	L107-D150 HydrophobicContact CD2-CB 4.37Å; L107-D150 WeakPolarHBondContact CD2-OD1 3.08Å; Q111-D150 PolarHBondContact NE2-OD1 2.92Å; T148-D150 PolarHBondContact O-N 3.48Å; T148-D150 VanDerWaalsContact O-N 3.09Å; D150-Y152 VanDerWaalsContact C-N 3.3Å; D150-L153 PolarHBondContact O-N 2.9Å; D150-K154 WeakPolarHBondContact O-CG 3.42Å; D150-K154 PolarHBondContact O-N 3.45Å; D150-K154 VanDerWaalsContact O-N 3.1Å
151	D	69.6	Low	57.9	Low	65 Å²	65	84 Å²	84	35%	0.348	45%	0.449	S	S	.	.	H	α-helix	trans	-64.1	-40.7	174	-96.6	22.4	0	0	0	110.8	T148 L153 K154 K155	T148-D151 WeakPolarHBondContact O-CB 3.31Å; T148-D151 PolarHBondContact O-N 3.45Å; T148-D151 WeakPolarHBondContact OG1-CB 3.33Å; D151-L153 VanDerWaalsContact C-N 3.33Å; D151-L153 PolarHBondContact O-N 3.25Å; D151-K154 PolarHBondContact O-N 2.89Å; D151-K155 WeakPolarHBondContact O-CB 3.5Å; D151-K155 VanDerWaalsContact O-CG 3.27Å; D151-K155 WeakPolarHBondContact O-CG 3.42Å; D151-K155 PolarHBondContact O-N 3.31Å; D151-K155 IonicContact OD2-NZ 2.8Å; D151-K155 PolarHBondContact OD2-NZ 2.84Å
152	Y	66.3	Low	56.8	Low	32 Å²	32	91.7 Å²	91.7	13%	0.125	48%	0.476	C	S	.	.	H	α-helix	trans	-61.5	-41.3	176.7	-173.3	-99.9	0	0	0	111.6	L115 R118 L143 T148 P149 D150 L158	L115-Y152 HydrophobicContact CD1-CD1 3.66Å; L115-Y152 HydrophobicContact CD1-CE1 4.18Å; R118-Y152 HydrophobicContact CB-CE1 3.87Å; R118-Y152 HydrophobicContact CG-CE1 4.44Å; R118-Y152 PolarHBondContact NH1-O 3.37Å; L143-Y152 HydrophobicContact CD1-CD1 4.49Å; L143-Y152 HydrophobicContact CD1-CD2 3.47Å; L143-Y152 VanDerWaalsContact CD1-CD2 3.47Å; L143-Y152 HydrophobicContact CD1-CE2 3.91Å; L143-Y152 HydrophobicContact CD1-CG 3.81Å; T148-Y152 PolarHBondContact O-N 2.94Å; P149-Y152 PolarHBondContact O-N 3.23Å; D150-Y152 VanDerWaalsContact C-N 3.3Å; Y152-L158 HydrophobicContact CD2-CD1 3.84Å
153	L	70.4	Confident	56.2	Low	25 Å²	25	88.6 Å²	88.6	13%	0.131	48%	0.48	C	S	.	.	H	α-helix	trans	-67.5	-33.5	176.6	-74.9	170.7	0	0	0	113	L107 Q111 L114 L115 R118 P149 D150 D151	L107-L153 HydrophobicContact CD1-CD1 4.19Å; L107-L153 HydrophobicContact CD2-CD1 4.27Å; Q111-L153 HydrophobicContact CB-CD1 3.8Å; Q111-L153 HydrophobicContact CG-CD1 4.32Å; L114-L153 HydrophobicContact CB-CD2 3.98Å; L115-L153 HydrophobicContact CB-CD2 4.32Å; L115-L153 HydrophobicContact CD1-CD2 4.21Å; L115-L153 HydrophobicContact CD1-CG 4.22Å; R118-L153 PolarHBondContact NH1-O 3.32Å; R118-L153 PolarHBondContact NH2-O 2.99Å; P149-L153 VanDerWaalsContact O-CG 3.29Å; P149-L153 WeakPolarHBondContact O-CG 3.34Å; P149-L153 PolarHBondContact O-N 3.16Å; D150-L153 PolarHBondContact O-N 2.9Å; D151-L153 VanDerWaalsContact C-N 3.33Å; D151-L153 PolarHBondContact O-N 3.25Å
154	K	67.9	Low	56	Low	160 Å²	160	94.1 Å²	94.1	70%	0.696	50%	0.504	S	S	*	.	H	α-helix	trans	-77	-29.1	178.7	-71.8	170.5	-172.8	167.2	0	113.4	D150 D151	D150-K154 WeakPolarHBondContact O-CG 3.42Å; D150-K154 PolarHBondContact O-N 3.45Å; D150-K154 VanDerWaalsContact O-N 3.1Å; D151-K154 PolarHBondContact O-N 2.89Å
155	K	60.5	Low	56.9	Low	77 Å²	77	100 Å²	100	34%	0.335	53%	0.534	S	S	.	.			trans	-88.5	139.1	-175.8	-68.2	171.7	-169.2	161.1	0	111.4	R118 D151 L158	R118-K155 PolarHBondContact NH1-O 3.49Å; D151-K155 WeakPolarHBondContact O-CB 3.5Å; D151-K155 VanDerWaalsContact O-CG 3.27Å; D151-K155 WeakPolarHBondContact O-CG 3.42Å; D151-K155 PolarHBondContact O-N 3.31Å; D151-K155 IonicContact OD2-NZ 2.8Å; D151-K155 PolarHBondContact OD2-NZ 2.84Å; K155-L158 HydrophobicContact CB-CD1 3.93Å; K155-L158 HydrophobicContact CB-CG 4.09Å; K155-L158 HydrophobicContact CD-CD1 3.66Å; K155-L158 HydrophobicContact CD-CD2 3.35Å; K155-L158 HydrophobicContact CD-CG 3.65Å; K155-L158 HydrophobicContact CG-CD1 4.42Å; K155-L158 HydrophobicContact CG-CG 4.49Å
156	E	49.8	Very low	58.1	Low	177 Å²	177	98.4 Å²	98.4	83%	0.827	52%	0.519	S	S	*	.	S	Bend	trans	-91.4	-14.6	171.8	-67.7	-168.8	151.7	0	0	112.5
157	T	36.8	Very low	59.8	Low	107 Å²	107	98.2 Å²	98.2	66%	0.656	52%	0.518	S	S	*	.			trans	-154.4	127.4	-177.2	49.4	0	0	0	0	111.8	T139	T139-T157 HydrophobicContact CG2-CG2 4.34Å
158	L	40.5	Very low	60.7	Low	44 Å²	44	98.3 Å²	98.3	23%	0.23	53%	0.526	C	S	.	.			trans	-129.7	138.6	177.4	-85	157.3	0	0	0	112.3	E147 Y152 K155	E147-L158 HydrophobicContact CG-CD1 4.22Å; E147-L158 WeakPolarHBondContact OE1-CB 3.11Å; E147-L158 WeakPolarHBondContact OE1-CD1 3.37Å; E147-L158 WeakPolarHBondContact OE1-CD2 3.26Å; E147-L158 WeakPolarHBondContact OE1-CG 3.38Å; E147-L158 WeakPolarHBondContact OE2-CD1 3.34Å; Y152-L158 HydrophobicContact CD2-CD1 3.84Å; K155-L158 HydrophobicContact CB-CD1 3.93Å; K155-L158 HydrophobicContact CB-CG 4.09Å; K155-L158 HydrophobicContact CD-CD1 3.66Å; K155-L158 HydrophobicContact CD-CD2 3.35Å; K155-L158 HydrophobicContact CD-CG 3.65Å; K155-L158 HydrophobicContact CG-CD1 4.42Å; K155-L158 HydrophobicContact CG-CG 4.49Å
159	V	38.4	Very low	61.8	Low	134 Å²	134	103.6 Å²	103.6	81%	0.812	55%	0.545	S	S	*	.			trans	-104.6	134	179	172.5	0	0	0	0	107.2	N144	N144-V159 PolarHBondContact ND2-O 3.27Å
160	A	40.9	Very low	62.7	Low	50 Å²	50	110.7 Å²	110.7	41%	0.413	58%	0.583	S	S	.	*			trans	-85.6	155.4	-177.9	0	0	0	0	0	114.7	N144	N144-A160 WeakPolarHBondContact ND2-CA 3.42Å; N144-A160 WeakPolarHBondContact OD1-CA 3.34Å; N144-A160 WeakPolarHBondContact OD1-CB 3.44Å
161	D	41.1	Very low	63.6	Low	144 Å²	144	113.9 Å²	113.9	77%	0.77	60%	0.595	S	S	*	*			trans	91.1	98.1	158.3	-53.1	-22.9	0	0	0	119.3
162	K	49.2	Very low	64.6	Low	196 Å²	196	115.3 Å²	115.3	85%	0.852	60%	0.599	S	S	*	*			trans	-120.4	115.8	143.2	-75.6	-174.1	177	-177.1	0	107.7
163	G	55.2	Low	65.9	Low	84 Å²	84	118.1 Å²	118.1	87%	0.866	63%	0.629	S	S	*	*			trans	-78.2	148.1	169.7	0	0	0	0	0	111.8
164	E	60.2	Low	66.8	Low	184 Å²	184	123.3 Å²	123.3	86%	0.86	66%	0.662	S	S	*	*			trans	-109.4	141.6	177.8	-172.5	176.7	-178.7	0	0	111.5
165	I	81.5	Confident	67.8	Low	148 Å²	148	121 Å²	121	76%	0.759	66%	0.663	S	S	*	*			trans	-84.9	129.5	173.9	-172.8	169.9	0	0	0	110.3
166	R	79.7	Confident	69.1	Low	165 Å²	165	123.2 Å²	123.2	62%	0.623	69%	0.685	S	S	*	*			trans	-92.2	142	177.9	-60.4	-175	-176.4	-177.3	-0.2	111.4	F171	R166-F171 HydrophobicContact CB-CD1 3.9Å; R166-F171 HydrophobicContact CB-CD2 3.82Å; R166-F171 HydrophobicContact CB-CE1 3.93Å; R166-F171 HydrophobicContact CB-CE2 3.84Å; R166-F171 HydrophobicContact CB-CG 3.85Å; R166-F171 HydrophobicContact CB-CZ 3.91Å; R166-F171 VanDerWaalsContact CD-CE1 3.45Å; R166-F171 HydrophobicContact CG-CE1 4.32Å; R166-F171 HydrophobicContact CG-CZ 4.26Å
167	V	85.2	Confident	70.7	Confident	118 Å²	118	123.3 Å²	123.3	72%	0.715	69%	0.686	S	S	*	*			trans	-124.1	130	178.2	177.7	0	0	0	0	108.8	Q172	V167-Q172 VanDerWaalsContact CG1-NE2 3.28Å
168	G	81.8	Confident	73	Confident	26 Å²	26	127.5 Å²	127.5	27%	0.268	70%	0.695	S	S	.	*	S	Bend	trans	157.9	162.1	177	0	0	0	0	0	112.1	N170 F171 Q172	G168-N170 PolarHBondContact O-N 3.1Å; G168-F171 WeakPolarHBondContact O-CA 3.4Å; G168-F171 PolarHBondContact O-N 2.9Å; G168-Q172 VanDerWaalsContact CA-OE1 3.26Å; G168-Q172 PolarHBondContact O-N 3.32Å; G168-Q172 PolarHBondContact O-OE1 3.16Å
169	E	88	Confident	74.7	Confident	189 Å²	189	130.2 Å²	130.2	88%	0.883	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	-24.7	-178.5	-63.2	179.2	168.2	0	0	114	F171	E169-F171 VanDerWaalsContact C-N 3.27Å; E169-F171 PolarHBondContact O-N 3.48Å
170	N	85.8	Confident	76.3	Confident	155 Å²	155	125.7 Å²	125.7	83%	0.829	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-11.9	174.7	-62.7	-29.4	0	0	0	113.8	G168	G168-N170 PolarHBondContact O-N 3.1Å
171	F	87.6	Confident	77.7	Confident	112 Å²	112	130 Å²	130	49%	0.491	72%	0.715	S	S	.	*	T	Hydrogen-bonded Turn	trans	-119.2	-36.9	-174.8	-56	-72.4	0	0	0	112.5	R166 G168 E169	R166-F171 HydrophobicContact CB-CD1 3.9Å; R166-F171 HydrophobicContact CB-CD2 3.82Å; R166-F171 HydrophobicContact CB-CE1 3.93Å; R166-F171 HydrophobicContact CB-CE2 3.84Å; R166-F171 HydrophobicContact CB-CG 3.85Å; R166-F171 HydrophobicContact CB-CZ 3.91Å; R166-F171 VanDerWaalsContact CD-CE1 3.45Å; R166-F171 HydrophobicContact CG-CE1 4.32Å; R166-F171 HydrophobicContact CG-CZ 4.26Å; G168-F171 WeakPolarHBondContact O-CA 3.4Å; G168-F171 PolarHBondContact O-N 2.9Å; E169-F171 VanDerWaalsContact C-N 3.27Å; E169-F171 PolarHBondContact O-N 3.48Å
172	Q	90.6	Very high	78.7	Confident	95 Å²	95	130.7 Å²	130.7	44%	0.444	72%	0.719	S	S	.	*	S	Bend	trans	-83.6	134.5	174.2	-74.5	100.8	11.5	0	0	111.7	V167 G168	V167-Q172 VanDerWaalsContact CG1-NE2 3.28Å; G168-Q172 VanDerWaalsContact CA-OE1 3.26Å; G168-Q172 PolarHBondContact O-N 3.32Å; G168-Q172 PolarHBondContact O-OE1 3.16Å
173	A	92.2	Very high	79.4	Confident	91 Å²	91	123.8 Å²	123.8	75%	0.752	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-70.4	144.4	166.1	0	0	0	0	0	110.2	P175	A173-P175 VanDerWaalsContact O-CD 3.29Å; A173-P175 WeakPolarHBondContact O-CD 3.22Å
174	V	90.8	Very high	79.7	Confident	134 Å²	134	127.7 Å²	127.7	81%	0.812	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-72.4	117.3	168.5	-179.1	0	0	0	0	107.9
175	P	88.6	Confident	80	Confident	110 Å²	110	127.6 Å²	127.6	71%	0.714	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-61	129.3	178.6	-22.5	34.5	0	0	0	110.4	A173	A173-P175 VanDerWaalsContact O-CD 3.29Å; A173-P175 WeakPolarHBondContact O-CD 3.22Å
176	P	87.2	Confident	79.4	Confident	125 Å²	125	125.5 Å²	125.5	81%	0.812	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-65.9	144.2	176.2	27.1	-32.8	0	0	0	110.3
177	E	84.4	Confident	78.9	Confident	179 Å²	179	123.7 Å²	123.7	84%	0.836	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-61.8	143.4	174.2	-69.8	-174.2	173.3	0	0	110.8	V179	E177-V179 WeakPolarHBondContact O-CG2 3.35Å; E177-V179 PolarHBondContact O-N 3.23Å
178	F	84	Confident	78.1	Confident	194 Å²	194	126.1 Å²	126.1	85%	0.851	69%	0.693	S	S	*	*			trans	-67.4	109.8	176.6	177	-100.6	0	0	0	109.8
179	V	75.5	Confident	78.1	Confident	102 Å²	102	130.7 Å²	130.7	62%	0.618	72%	0.721	S	S	*	*			trans	-93.8	117	172.3	-156.4	0	0	0	0	107.9	E177 A183	E177-V179 WeakPolarHBondContact O-CG2 3.35Å; E177-V179 PolarHBondContact O-N 3.23Å; V179-A183 HydrophobicContact CB-CB 4.18Å; V179-A183 HydrophobicContact CG1-CB 3.13Å
180	G	73.7	Confident	78	Confident	39 Å²	39	126.7 Å²	126.7	40%	0.402	71%	0.705	S	S	.	*			trans	-60	178.6	-178.9	0	0	0	0	0	113.6	N182 A183	G180-N182 PolarHBondContact O-N 2.73Å; G180-A183 PolarHBondContact O-N 2.86Å
181	T	70.1	Confident	78	Confident	141 Å²	141	125.1 Å²	125.1	87%	0.865	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	-11.1	-175.5	53.2	0	0	0	0	115.5
182	N	62.3	Low	78	Confident	158 Å²	158	125.1 Å²	125.1	85%	0.845	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	3.1	-172.8	-64.2	-14.5	0	0	0	114.2	G180	G180-N182 PolarHBondContact O-N 2.73Å
183	A	62.6	Low	77.9	Confident	50 Å²	50	126 Å²	126	41%	0.413	71%	0.711	S	S	.	*	S	Bend	trans	-79.3	134.4	171.5	0	0	0	0	0	111.3	V179 G180 R185	V179-A183 HydrophobicContact CB-CB 4.18Å; V179-A183 HydrophobicContact CG1-CB 3.13Å; G180-A183 PolarHBondContact O-N 2.86Å; A183-R185 PolarHBondContact O-N 3.07Å
184	D	62.4	Low	77.8	Confident	167 Å²	167	126 Å²	126	89%	0.893	69%	0.692	S	S	*	*			trans	-50.7	101.7	168.6	-88	-31.3	0	0	0	108.9
185	R	66.4	Low	77.8	Confident	182 Å²	182	120.6 Å²	120.6	69%	0.687	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-59.4	127.6	172.6	-167.2	-179.4	-153.2	176.1	8.8	106.3	A183	A183-R185 PolarHBondContact O-N 3.07Å
186	P	68.1	Low	77.7	Confident	104 Å²	104	120.8 Å²	120.8	68%	0.675	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-53.4	142.7	175.3	19.7	-30	0	0	0	109.4	R188	P186-R188 PolarHBondContact O-N 3.13Å; P186-R188 VanDerWaalsContact O-N 3.15Å
187	P	69	Low	77.3	Confident	126 Å²	126	121 Å²	121	82%	0.818	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-52.6	126.7	-178.2	19	-29.9	0	0	0	109.2	S189	P187-S189 PolarHBondContact O-N 2.95Å; P187-S189 VanDerWaalsContact O-N 3.13Å
188	R	69.4	Low	77	Confident	169 Å²	169	119.5 Å²	119.5	64%	0.638	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-52.9	117.9	175.7	-89	-175	170.3	171.7	-7.5	108.8	P186 D190	P186-R188 PolarHBondContact O-N 3.13Å; P186-R188 VanDerWaalsContact O-N 3.15Å; R188-D190 VanDerWaalsContact CA-OD1 3.31Å; R188-D190 WeakPolarHBondContact CA-OD1 3.44Å; R188-D190 WeakPolarHBondContact CB-OD1 3.47Å; R188-D190 WeakPolarHBondContact CG-OD1 3.21Å; R188-D190 IonicContact NE-OD2 2.72Å; R188-D190 PolarHBondContact O-N 3.08Å
189	S	81.1	Confident	76.4	Confident	123 Å²	123	118.2 Å²	118.2	86%	0.86	64%	0.641	S	S	*	*			trans	-80.5	-4.3	176.4	58.1	0	0	0	0	112.5	P187	P187-S189 PolarHBondContact O-N 2.95Å; P187-S189 VanDerWaalsContact O-N 3.13Å
190	D	85.9	Confident	77	Confident	104 Å²	104	114.8 Å²	114.8	56%	0.556	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-80.4	131.2	-179.4	33.7	-44.2	0	0	0	111.4	R188	R188-D190 VanDerWaalsContact CA-OD1 3.31Å; R188-D190 WeakPolarHBondContact CA-OD1 3.44Å; R188-D190 WeakPolarHBondContact CB-OD1 3.47Å; R188-D190 WeakPolarHBondContact CG-OD1 3.21Å; R188-D190 IonicContact NE-OD2 2.72Å; R188-D190 PolarHBondContact O-N 3.08Å
191	V	85.4	Confident	77.8	Confident	123 Å²	123	115.7 Å²	115.7	75%	0.745	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-95.9	124.7	172.7	179.5	0	0	0	0	108	L193	V191-L193 HydrophobicContact CG1-CD2 4.43Å; V191-L193 PolarHBondContact O-N 3.14Å
192	M	88	Confident	78.8	Confident	112 Å²	112	115 Å²	115	55%	0.552	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-69.4	123.3	175.2	-174.6	164.1	63.1	0	0	109.5	D195 H254	M192-D195 HydrophobicContact CE-CB 4.08Å; M192-D195 HydrophobicContact SD-CB 3.9Å; M192-H254 PolarHBondContact O-NE2 2.92Å; M192-H254 VanDerWaalsContact O-NE2 3.11Å
193	L	88.9	Confident	80.4	Confident	112 Å²	112	111.8 Å²	111.8	59%	0.586	60%	0.597	S	S	*	*	S	Bend	trans	-102.3	-18.4	177.1	-61.4	179.4	0	0	0	112.7	V191 H254	V191-L193 HydrophobicContact CG1-CD2 4.43Å; V191-L193 PolarHBondContact O-N 3.14Å; L193-H254 WeakPolarHBondContact O-CB 3.36Å
194	Y	90.4	Very high	81.9	Confident	92 Å²	92	114.3 Å²	114.3	36%	0.361	60%	0.598	S	S	.	*			trans	-158.4	131.7	177.7	-172.6	-99.2	0	0	0	110.4	T196 M250 Y258	Y194-T196 HydrophobicContact CD1-CG2 4.19Å; Y194-T196 HydrophobicContact CE1-CG2 4.11Å; Y194-M250 HydrophobicContact CD2-CE 3.6Å; Y194-M250 HydrophobicContact CE2-CE 3.17Å; Y194-Y258 WeakPolarHBondContact CA-OH 3.28Å; Y194-Y258 HydrophobicContact CD2-CE1 4.13Å; Y194-Y258 WeakPolarHBondContact CD2-OH 3.43Å; Y194-Y258 AromaticContact CE2-CE1 3.78Å; Y194-Y258 HydrophobicContact CE2-CE1 3.78Å
195	D	89.6	Confident	83.4	Confident	21 Å²	21	107.1 Å²	107.1	11%	0.112	56%	0.56	C	S	.	*			trans	-105.5	116.1	177	-177.5	1.9	0	0	0	109.8	M192 N197 R198 Y258	M192-D195 HydrophobicContact CE-CB 4.08Å; M192-D195 HydrophobicContact SD-CB 3.9Å; D195-N197 VanDerWaalsContact C-N 3.26Å; D195-N197 PolarHBondContact O-N 3.38Å; D195-N197 WeakPolarHBondContact OD1-CB 3.46Å; D195-N197 PolarHBondContact OD1-N 3.25Å; D195-N197 PolarHBondContact OD1-ND2 3.23Å; D195-R198 HydrophobicContact CB-CG 4.03Å; D195-R198 VanDerWaalsContact OD2-CG 3.23Å; D195-R198 WeakPolarHBondContact OD2-CG 3.16Å; D195-R198 IonicContact OD2-NE 3.04Å; D195-R198 PolarHBondContact OD2-NE 3.05Å; D195-Y258 HydrophobicContact CB-CE2 3.95Å; D195-Y258 PolarHBondContact N-OH 2.85Å
196	T	87.8	Confident	84.8	Confident	113 Å²	113	103.1 Å²	103.1	69%	0.693	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-11.5	179.4	55.2	0	0	0	0	113.5	Y194	Y194-T196 HydrophobicContact CD1-CG2 4.19Å; Y194-T196 HydrophobicContact CE1-CG2 4.11Å
197	N	79.3	Confident	86.1	Confident	131 Å²	131	103.5 Å²	103.5	70%	0.701	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	0.5	-173.8	-56	-56.8	0	0	0	113.2	D195	D195-N197 VanDerWaalsContact C-N 3.26Å; D195-N197 PolarHBondContact O-N 3.38Å; D195-N197 WeakPolarHBondContact OD1-CB 3.46Å; D195-N197 PolarHBondContact OD1-N 3.25Å; D195-N197 PolarHBondContact OD1-ND2 3.23Å
198	R	76.2	Confident	87.4	Confident	146 Å²	146	97.7 Å²	97.7	55%	0.551	51%	0.507	S	S	*	.	S	Bend	trans	-88.8	113.3	-178.8	-65.7	-86.4	178.8	-177	3.5	108.6	D195 L200 Y258	D195-R198 HydrophobicContact CB-CG 4.03Å; D195-R198 VanDerWaalsContact OD2-CG 3.23Å; D195-R198 WeakPolarHBondContact OD2-CG 3.16Å; D195-R198 IonicContact OD2-NE 3.04Å; D195-R198 PolarHBondContact OD2-NE 3.05Å; R198-L200 PolarHBondContact O-N 3.08Å; R198-Y258 HydrophobicContact CB-CD1 4Å; R198-Y258 HydrophobicContact CB-CD2 3.59Å; R198-Y258 HydrophobicContact CB-CE1 4.36Å; R198-Y258 HydrophobicContact CB-CE2 4.01Å; R198-Y258 HydrophobicContact CB-CG 3.6Å; R198-Y258 HydrophobicContact CG-CD2 3.41Å; R198-Y258 VanDerWaalsContact CG-CD2 3.41Å; R198-Y258 HydrophobicContact CG-CE2 3.64Å; R198-Y258 HydrophobicContact CG-CG 3.99Å
199	N	72.4	Confident	88.7	Confident	168 Å²	168	90.6 Å²	90.6	90%	0.898	48%	0.481	S	S	*	.			trans	-61.1	57.7	-171.4	-69.1	-26.9	0	0	0	115.9
200	L	87.3	Confident	89.5	Confident	30 Å²	30	89.7 Å²	89.7	16%	0.157	47%	0.466	C	S	.	.			trans	-96.1	128.5	161.4	-71.8	173.6	0	0	0	108.7	R198 K204 I205 L253 Y258 L260	R198-L200 PolarHBondContact O-N 3.08Å; L200-K204 HydrophobicContact CD2-CD 4.26Å; L200-I205 HydrophobicContact CB-CD1 4.11Å; L200-I205 HydrophobicContact CB-CG1 3.91Å; L200-I205 HydrophobicContact CD1-CG1 4.4Å; L200-L253 HydrophobicContact CD1-CD1 3.93Å; L200-L253 HydrophobicContact CD1-CD2 4.13Å; L200-L253 HydrophobicContact CD1-CG 4.39Å; L200-Y258 HydrophobicContact CD1-CD1 3.94Å; L200-Y258 HydrophobicContact CD1-CG 4.48Å; L200-L260 HydrophobicContact CD1-CD2 4.26Å; L200-L260 HydrophobicContact CD2-CD1 4.13Å; L200-L260 HydrophobicContact CD2-CD2 4.34Å; L200-L260 HydrophobicContact CD2-CG 4.06Å
201	S	91.1	Very high	90	Very high	58 Å²	58	88 Å²	88	41%	0.406	46%	0.456	S	S	.	.			trans	-66.3	143	169.7	56.2	0	0	0	0	110.2	T203 K204 I205	S201-T203 PolarHBondContact O-N 3.38Å; S201-K204 WeakPolarHBondContact O-CA 3.45Å; S201-K204 WeakPolarHBondContact O-CB 3.49Å; S201-K204 PolarHBondContact O-N 3.34Å; S201-K204 WeakPolarHBondContact OG-CG 3.18Å; S201-I205 PolarHBondContact O-N 3.32Å
202	D	92.1	Very high	90.5	Very high	125 Å²	125	82.2 Å²	82.2	67%	0.668	42%	0.421	S	S	*	.	H	α-helix	trans	-47.8	-40.3	175.8	-63.4	-5.3	0	0	0	112.5	K204 I205 D206	D202-K204 VanDerWaalsContact C-N 3.3Å; D202-K204 PolarHBondContact O-N 3.5Å; D202-I205 WeakPolarHBondContact O-CB 3.32Å; D202-I205 PolarHBondContact O-N 2.93Å; D202-I205 VanDerWaalsContact O-N 3.08Å; D202-D206 PolarHBondContact O-N 3.41Å
203	T	94.9	Very high	90.8	Very high	92 Å²	92	80.9 Å²	80.9	56%	0.564	41%	0.41	S	S	*	.	H	α-helix	trans	-58	-37.5	176.5	-47.8	0	0	0	0	113.6	S201 Q207	S201-T203 PolarHBondContact O-N 3.38Å; T203-Q207 WeakPolarHBondContact O-CB 3.2Å; T203-Q207 VanDerWaalsContact O-CG 3.25Å; T203-Q207 WeakPolarHBondContact O-CG 3.33Å; T203-Q207 PolarHBondContact O-N 2.75Å
204	K	94.2	Very high	91.2	Very high	102 Å²	102	78.4 Å²	78.4	44%	0.443	41%	0.406	S	S	.	.	H	α-helix	trans	-73.3	-36.5	177.4	-77.1	-179.6	178.9	-176.9	0	111.2	L200 S201 D202 Q207 Y208 L260	L200-K204 HydrophobicContact CD2-CD 4.26Å; S201-K204 WeakPolarHBondContact O-CA 3.45Å; S201-K204 WeakPolarHBondContact O-CB 3.49Å; S201-K204 PolarHBondContact O-N 3.34Å; S201-K204 WeakPolarHBondContact OG-CG 3.18Å; D202-K204 VanDerWaalsContact C-N 3.3Å; D202-K204 PolarHBondContact O-N 3.5Å; K204-Q207 PolarHBondContact O-N 2.89Å; K204-Y208 WeakPolarHBondContact O-CB 3.4Å; K204-Y208 PolarHBondContact O-N 3.49Å; K204-L260 HydrophobicContact CB-CD1 4.22Å; K204-L260 HydrophobicContact CD-CD1 4.17Å; K204-L260 HydrophobicContact CG-CD1 4.44Å
205	I	94.3	Very high	91.4	Very high	17 Å²	17	75.2 Å²	75.2	9%	0.087	40%	0.395	C	S	.	.	H	α-helix	trans	-65.2	-45.6	175.7	-59.5	174.2	0	0	0	109.2	L200 S201 D202 Q207 Y208 L209 M250	L200-I205 HydrophobicContact CB-CD1 4.11Å; L200-I205 HydrophobicContact CB-CG1 3.91Å; L200-I205 HydrophobicContact CD1-CG1 4.4Å; S201-I205 PolarHBondContact O-N 3.32Å; D202-I205 WeakPolarHBondContact O-CB 3.32Å; D202-I205 PolarHBondContact O-N 2.93Å; D202-I205 VanDerWaalsContact O-N 3.08Å; I205-Q207 PolarHBondContact O-N 2.77Å; I205-Y208 WeakPolarHBondContact O-CB 3.48Å; I205-Y208 PolarHBondContact O-N 3.25Å; I205-L209 HydrophobicContact CG2-CD1 4.33Å; I205-L209 HydrophobicContact CG2-CG 4.47Å; I205-L209 WeakPolarHBondContact O-CG 3.42Å; I205-L209 PolarHBondContact O-N 2.88Å; I205-M250 HydrophobicContact CG2-SD 4.38Å
206	D	95.5	Very high	91.6	Very high	97 Å²	97	74.4 Å²	74.4	52%	0.519	39%	0.391	S	S	.	.	H	α-helix	trans	-59.9	-45.2	176	-75.9	-20.6	0	0	0	112.2	D202 Y208 L209 I210	D202-D206 PolarHBondContact O-N 3.41Å; D206-Y208 VanDerWaalsContact C-N 3.34Å; D206-Y208 PolarHBondContact O-N 3.34Å; D206-L209 PolarHBondContact O-N 3.3Å; D206-I210 WeakPolarHBondContact O-CG1 3.32Å; D206-I210 PolarHBondContact O-N 3.49Å
207	Q	96.3	Very high	91.8	Very high	113 Å²	113	70.2 Å²	70.2	53%	0.528	37%	0.365	S	S	.	.	H	α-helix	trans	-60.4	-43.5	174.9	-75.4	173.2	-12.7	0	0	112	T203 K204 I205 I210 I211	T203-Q207 WeakPolarHBondContact O-CB 3.2Å; T203-Q207 VanDerWaalsContact O-CG 3.25Å; T203-Q207 WeakPolarHBondContact O-CG 3.33Å; T203-Q207 PolarHBondContact O-N 2.75Å; K204-Q207 PolarHBondContact O-N 2.89Å; I205-Q207 PolarHBondContact O-N 2.77Å; Q207-I210 PolarHBondContact O-N 2.95Å; Q207-I211 WeakPolarHBondContact O-CG1 3.35Å; Q207-I211 PolarHBondContact O-N 3.4Å
208	Y	96.1	Very high	92.4	Very high	4 Å²	4	69.8 Å²	69.8	2%	0.016	36%	0.357	C	S	.	.	H	α-helix	trans	-60.9	-44	175.5	170.2	-101.6	0	0	0	112.2	K204 I205 D206 I210 I211 A212 A249 L253 L260 A263 I264 F267	K204-Y208 WeakPolarHBondContact O-CB 3.4Å; K204-Y208 PolarHBondContact O-N 3.49Å; I205-Y208 WeakPolarHBondContact O-CB 3.48Å; I205-Y208 PolarHBondContact O-N 3.25Å; D206-Y208 VanDerWaalsContact C-N 3.34Å; D206-Y208 PolarHBondContact O-N 3.34Å; Y208-I210 VanDerWaalsContact C-N 3.31Å; Y208-I210 PolarHBondContact O-N 3.4Å; Y208-I211 WeakPolarHBondContact O-CB 3.42Å; Y208-I211 PolarHBondContact O-N 2.87Å; Y208-I211 VanDerWaalsContact O-N 3.16Å; Y208-A212 PolarHBondContact O-N 3.28Å; Y208-A249 HydrophobicContact CE1-CB 3.85Å; Y208-A249 WeakPolarHBondContact CE1-O 3.17Å; Y208-A249 PolarHBondContact OH-O 2.96Å; Y208-L253 HydrophobicContact CD1-CD1 4.47Å; Y208-L253 HydrophobicContact CD1-CD2 4.26Å; Y208-L253 HydrophobicContact CE1-CB 3.84Å; Y208-L253 HydrophobicContact CE1-CD1 4.32Å; Y208-L253 HydrophobicContact CE1-CD2 4.28Å; Y208-L253 HydrophobicContact CE1-CG 4.38Å; Y208-L260 HydrophobicContact CD2-CD2 4.1Å; Y208-L260 HydrophobicContact CG-CD2 4.16Å; Y208-A263 HydrophobicContact CE2-CB 3.66Å; Y208-I264 HydrophobicContact CD2-CG1 4.26Å; Y208-I264 HydrophobicContact CE2-CG1 4.35Å; Y208-F267 AromaticContact CE2-CE2 3.63Å; Y208-F267 HydrophobicContact CE2-CE2 3.63Å; Y208-F267 HydrophobicContact CE2-CZ 4.43Å; Y208-F267 AromaticContact CZ-CE2 3.59Å; Y208-F267 AromaticContact CZ-CZ 3.94Å; Y208-F267 WeakPolarHBondContact OH-CE2 3.26Å; Y208-F267 WeakPolarHBondContact OH-CZ 3.49Å
209	L	96.7	Very high	93.1	Very high	19 Å²	19	63 Å²	63	10%	0.099	33%	0.333	C	S	.	.	H	α-helix	trans	-64.1	-35.2	176.3	-68.1	179.2	0	0	0	112.3	I205 D206 A212 R213 T246 A249 M250	I205-L209 HydrophobicContact CG2-CD1 4.33Å; I205-L209 HydrophobicContact CG2-CG 4.47Å; I205-L209 WeakPolarHBondContact O-CG 3.42Å; I205-L209 PolarHBondContact O-N 2.88Å; D206-L209 PolarHBondContact O-N 3.3Å; L209-A212 PolarHBondContact O-N 3.43Å; L209-R213 VanDerWaalsContact O-CG 3.29Å; L209-R213 WeakPolarHBondContact O-CG 3.23Å; L209-R213 PolarHBondContact O-N 2.92Å; L209-R213 VanDerWaalsContact O-N 3.09Å; L209-T246 HydrophobicContact CD1-CG2 4.39Å; L209-T246 HydrophobicContact CD2-CG2 4.11Å; L209-A249 HydrophobicContact CD2-CB 3.8Å; L209-M250 HydrophobicContact CD2-CG 4.44Å; L209-M250 HydrophobicContact CD2-SD 4.05Å
210	I	96.6	Very high	94	Very high	104 Å²	104	55.1 Å²	55.1	53%	0.533	29%	0.29	S	S	.	.	H	α-helix	trans	-63.6	-43.5	172.8	-68.1	165.3	0	0	0	110.7	D206 Q207 Y208 R213 A214	D206-I210 WeakPolarHBondContact O-CG1 3.32Å; D206-I210 PolarHBondContact O-N 3.49Å; Q207-I210 PolarHBondContact O-N 2.95Å; Y208-I210 VanDerWaalsContact C-N 3.31Å; Y208-I210 PolarHBondContact O-N 3.4Å; I210-R213 PolarHBondContact O-N 3.44Å; I210-A214 PolarHBondContact O-N 3.42Å
211	I	96.3	Very high	94	Very high	68 Å²	68	56.9 Å²	56.9	35%	0.349	31%	0.31	S	S	.	.	H	α-helix	trans	-61.5	-45.1	176.3	-66.3	166.2	0	0	0	110.4	Q207 Y208 R213 A214 I215 I264	Q207-I211 WeakPolarHBondContact O-CG1 3.35Å; Q207-I211 PolarHBondContact O-N 3.4Å; Y208-I211 WeakPolarHBondContact O-CB 3.42Å; Y208-I211 PolarHBondContact O-N 2.87Å; Y208-I211 VanDerWaalsContact O-N 3.16Å; I211-R213 VanDerWaalsContact C-N 3.32Å; I211-R213 PolarHBondContact O-N 3.13Å; I211-A214 WeakPolarHBondContact O-CB 3.5Å; I211-A214 PolarHBondContact O-N 3.38Å; I211-A214 VanDerWaalsContact O-N 3.11Å; I211-I215 HydrophobicContact CG2-CD1 3.84Å; I211-I215 HydrophobicContact CG2-CG1 4.35Å; I211-I215 WeakPolarHBondContact O-CG1 3.45Å; I211-I215 PolarHBondContact O-N 2.97Å; I211-I264 HydrophobicContact CD1-CD1 4.03Å; I211-I264 HydrophobicContact CG2-CG1 4.42Å
212	A	96.2	Very high	93.8	Very high	3 Å²	3	59 Å²	59	3%	0.025	32%	0.316	C	S	.	.	H	α-helix	trans	-57.3	-43.5	177	0	0	0	0	0	112.3	Y208 L209 I215 G216 A249 F267	Y208-A212 PolarHBondContact O-N 3.28Å; L209-A212 PolarHBondContact O-N 3.43Å; A212-I215 PolarHBondContact O-N 2.91Å; A212-G216 PolarHBondContact O-N 3.09Å; A212-A249 HydrophobicContact CB-CB 3.64Å; A212-F267 HydrophobicContact CB-CE1 4.09Å; A212-F267 HydrophobicContact CB-CE2 3.86Å; A212-F267 HydrophobicContact CB-CZ 3.4Å; A212-F267 VanDerWaalsContact CB-CZ 3.4Å
213	R	95.6	Very high	93.3	Very high	83 Å²	83	55.2 Å²	55.2	31%	0.313	30%	0.295	S	S	.	.	H	α-helix	trans	-64.9	-39	175.3	-66.4	168.4	-170.1	164.8	9.2	112.2	L209 I210 I211 G216 T217 S240	L209-R213 VanDerWaalsContact O-CG 3.29Å; L209-R213 WeakPolarHBondContact O-CG 3.23Å; L209-R213 PolarHBondContact O-N 2.92Å; L209-R213 VanDerWaalsContact O-N 3.09Å; I210-R213 PolarHBondContact O-N 3.44Å; I211-R213 VanDerWaalsContact C-N 3.32Å; I211-R213 PolarHBondContact O-N 3.13Å; R213-G216 PolarHBondContact O-N 3.2Å; R213-T217 PolarHBondContact O-N 2.95Å; R213-T217 PolarHBondContact O-OG1 2.64Å; R213-S240 WeakPolarHBondContact O-CB 3.29Å; R213-S240 PolarHBondContact O-OG 3.36Å
214	A	95.5	Very high	92.3	Very high	60 Å²	60	58.2 Å²	58.2	50%	0.496	31%	0.305	S	S	.	.	H	α-helix	trans	-63.3	-45.5	175.9	0	0	0	0	0	111.3	I210 I211 T217 F218	I210-A214 PolarHBondContact O-N 3.42Å; I211-A214 WeakPolarHBondContact O-CB 3.5Å; I211-A214 PolarHBondContact O-N 3.38Å; I211-A214 VanDerWaalsContact O-N 3.11Å; A214-T217 WeakPolarHBondContact O-CB 3.47Å; A214-T217 PolarHBondContact O-N 2.79Å; A214-F218 PolarHBondContact O-N 3.13Å
215	I	94.8	Very high	91.5	Very high	26 Å²	26	57.1 Å²	57.1	13%	0.133	31%	0.307	C	S	.	.	H	α-helix	trans	-62	-44.9	175.1	-63.3	169.5	0	0	0	110.5	I211 A212 T217 F218 A219 F267 P296	I211-I215 HydrophobicContact CG2-CD1 3.84Å; I211-I215 HydrophobicContact CG2-CG1 4.35Å; I211-I215 WeakPolarHBondContact O-CG1 3.45Å; I211-I215 PolarHBondContact O-N 2.97Å; A212-I215 PolarHBondContact O-N 2.91Å; I215-T217 VanDerWaalsContact C-N 3.27Å; I215-T217 PolarHBondContact O-N 3.2Å; I215-F218 PolarHBondContact O-N 3.2Å; I215-F218 VanDerWaalsContact O-N 3.17Å; I215-A219 WeakPolarHBondContact O-CB 3.31Å; I215-A219 PolarHBondContact O-N 3.13Å; I215-F267 HydrophobicContact CD1-CB 3.68Å; I215-F267 HydrophobicContact CD1-CD2 3.82Å; I215-F267 HydrophobicContact CD1-CG 3.92Å; I215-F267 HydrophobicContact CG2-CB 4.15Å; I215-P296 HydrophobicContact CG2-CB 3.61Å
216	G	93.5	Very high	90.7	Very high	3 Å²	3	56.4 Å²	56.4	3%	0.031	30%	0.303	C	S	.	.	H	α-helix	trans	-63.4	-29.6	177.4	0	0	0	0	0	114	A212 R213 R220	A212-G216 PolarHBondContact O-N 3.09Å; R213-G216 PolarHBondContact O-N 3.2Å; G216-R220 WeakPolarHBondContact O-CG 3.23Å; G216-R220 PolarHBondContact O-N 3.32Å; G216-R220 PolarHBondContact O-NH1 3.13Å
217	T	93	Very high	89.7	Confident	25 Å²	25	53.6 Å²	53.6	15%	0.153	29%	0.294	C	S	.	.	H	α-helix	trans	-71.6	-43.4	173.6	-53.1	0	0	0	0	110.7	R213 A214 I215 A221 L233 S236 A237 S240	R213-T217 PolarHBondContact O-N 2.95Å; R213-T217 PolarHBondContact O-OG1 2.64Å; A214-T217 WeakPolarHBondContact O-CB 3.47Å; A214-T217 PolarHBondContact O-N 2.79Å; I215-T217 VanDerWaalsContact C-N 3.27Å; I215-T217 PolarHBondContact O-N 3.2Å; T217-A221 PolarHBondContact O-N 3.2Å; T217-L233 HydrophobicContact CG2-CD1 4.08Å; T217-S236 PolarHBondContact O-OG 3.07Å; T217-A237 HydrophobicContact CG2-CB 4.46Å; T217-S240 WeakPolarHBondContact OG1-CB 3.41Å; T217-S240 PolarHBondContact OG1-OG 3.1Å
218	F	91.8	Very high	88.6	Confident	122 Å²	122	54.1 Å²	54.1	54%	0.535	30%	0.304	S	S	.	.	H	α-helix	trans	-65.5	-41	176	-177.7	-113.8	0	0	0	111.9	A214 I215 R220 A221 L222 P296	A214-F218 PolarHBondContact O-N 3.13Å; I215-F218 PolarHBondContact O-N 3.2Å; I215-F218 VanDerWaalsContact O-N 3.17Å; F218-R220 VanDerWaalsContact C-N 3.34Å; F218-R220 PolarHBondContact O-N 3.17Å; F218-A221 WeakPolarHBondContact O-CB 3.29Å; F218-A221 PolarHBondContact O-N 3.48Å; F218-A221 VanDerWaalsContact O-N 3.08Å; F218-L222 HydrophobicContact CD1-CD1 4.06Å; F218-L222 HydrophobicContact CE1-CD1 3.49Å; F218-L222 VanDerWaalsContact CE1-CD1 3.49Å; F218-L222 HydrophobicContact CE1-CG 4.29Å; F218-L222 HydrophobicContact CE2-CD1 4.43Å; F218-L222 HydrophobicContact CE2-CD2 4.45Å; F218-L222 HydrophobicContact CE2-CG 4.44Å; F218-L222 HydrophobicContact CZ-CD1 3.71Å; F218-L222 HydrophobicContact CZ-CD2 4.28Å; F218-L222 HydrophobicContact CZ-CG 4.17Å; F218-L222 PolarHBondContact O-N 2.91Å; F218-P296 HydrophobicContact CD1-CG 4.07Å; F218-P296 HydrophobicContact CE1-CG 4.46Å
219	A	91.6	Very high	87.5	Confident	4 Å²	4	57.7 Å²	57.7	3%	0.033	32%	0.32	C	S	.	.	H	α-helix	trans	-58	-43.7	177.1	0	0	0	0	0	112.6	I215 A221 L222 D223 P296 L298	I215-A219 WeakPolarHBondContact O-CB 3.31Å; I215-A219 PolarHBondContact O-N 3.13Å; A219-A221 VanDerWaalsContact C-N 3.28Å; A219-A221 PolarHBondContact O-N 2.67Å; A219-L222 PolarHBondContact O-N 3.4Å; A219-L222 VanDerWaalsContact O-N 3.17Å; A219-D223 PolarHBondContact O-N 2.8Å; A219-P296 HydrophobicContact CB-CB 3.9Å; A219-P296 HydrophobicContact CB-CG 3.67Å; A219-L298 HydrophobicContact CB-CB 4.14Å; A219-L298 HydrophobicContact CB-CD1 4.09Å
220	R	89.7	Confident	86.5	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.008	32%	0.32	C	S	.	.	H	α-helix	trans	-65.2	-29.5	176.1	-72.6	171.9	174	79.8	-0.1	113.4	G216 F218 L222 A227 S236 L298 A299 E304	G216-R220 WeakPolarHBondContact O-CG 3.23Å; G216-R220 PolarHBondContact O-N 3.32Å; G216-R220 PolarHBondContact O-NH1 3.13Å; F218-R220 VanDerWaalsContact C-N 3.34Å; F218-R220 PolarHBondContact O-N 3.17Å; R220-L222 VanDerWaalsContact C-N 3.32Å; R220-A227 PolarHBondContact O-N 3.02Å; R220-S236 WeakPolarHBondContact CB-OG 3.45Å; R220-L298 HydrophobicContact CG-CD1 3.44Å; R220-L298 VanDerWaalsContact CG-CD1 3.44Å; R220-A299 PolarHBondContact NH2-O 2.97Å; R220-E304 IonicContact CZ-OE1 3.45Å; R220-E304 IonicContact CZ-OE2 3.27Å; R220-E304 IonicContact NE-OE1 3.35Å; R220-E304 PolarHBondContact NE-OE1 3.33Å; R220-E304 IonicContact NE-OE2 3.47Å; R220-E304 PolarHBondContact NE-OE2 3.43Å; R220-E304 IonicContact NH2-OE1 2.71Å; R220-E304 PolarHBondContact NH2-OE1 2.75Å; R220-E304 IonicContact NH2-OE2 3.85Å; R220-E304 PolarHBondContact NH2-OE2 3.04Å
221	A	87.8	Confident	85.5	Confident	68 Å²	68	57.4 Å²	57.4	56%	0.562	32%	0.324	S	S	*	.	H	α-helix	trans	-72.6	-27.2	175.8	0	0	0	0	0	112.3	T217 F218 A219	T217-A221 PolarHBondContact O-N 3.2Å; F218-A221 WeakPolarHBondContact O-CB 3.29Å; F218-A221 PolarHBondContact O-N 3.48Å; F218-A221 VanDerWaalsContact O-N 3.08Å; A219-A221 VanDerWaalsContact C-N 3.28Å; A219-A221 PolarHBondContact O-N 2.67Å
222	L	86.6	Confident	85	Confident	103 Å²	103	58.7 Å²	58.7	54%	0.539	33%	0.332	S	S	.	.	H	α-helix	trans	-89.1	-28.9	176.4	-61.7	-178.7	0	0	0	113.2	F218 A219 R220 M224 P296	F218-L222 HydrophobicContact CD1-CD1 4.06Å; F218-L222 HydrophobicContact CE1-CD1 3.49Å; F218-L222 VanDerWaalsContact CE1-CD1 3.49Å; F218-L222 HydrophobicContact CE1-CG 4.29Å; F218-L222 HydrophobicContact CE2-CD1 4.43Å; F218-L222 HydrophobicContact CE2-CD2 4.45Å; F218-L222 HydrophobicContact CE2-CG 4.44Å; F218-L222 HydrophobicContact CZ-CD1 3.71Å; F218-L222 HydrophobicContact CZ-CD2 4.28Å; F218-L222 HydrophobicContact CZ-CG 4.17Å; F218-L222 PolarHBondContact O-N 2.91Å; A219-L222 PolarHBondContact O-N 3.4Å; A219-L222 VanDerWaalsContact O-N 3.17Å; R220-L222 VanDerWaalsContact C-N 3.32Å; L222-M224 PolarHBondContact O-N 3.34Å; L222-P296 HydrophobicContact CD1-CG 4.1Å
223	D	82.9	Confident	84.7	Confident	44 Å²	44	64.5 Å²	64.5	24%	0.235	36%	0.362	C	S	.	.			trans	-75.2	113.6	177.9	176.2	40.3	0	0	0	111.3	A219 V225 S226 A227 L298 R300	A219-D223 PolarHBondContact O-N 2.8Å; D223-V225 PolarHBondContact O-N 3.29Å; D223-V225 PolarHBondContact OD1-N 2.95Å; D223-S226 PolarHBondContact O-N 3.02Å; D223-S226 VanDerWaalsContact O-N 3.14Å; D223-S226 VanDerWaalsContact OD2-CB 3.25Å; D223-S226 WeakPolarHBondContact OD2-CB 3.14Å; D223-S226 PolarHBondContact OD2-N 3.12Å; D223-S226 PolarHBondContact OD2-OG 3.11Å; D223-A227 WeakPolarHBondContact O-CB 2.87Å; D223-A227 PolarHBondContact O-N 3.24Å; D223-L298 HydrophobicContact CB-CD2 3.72Å; D223-R300 IonicContact OD2-NH1 2.63Å; D223-R300 PolarHBondContact OD2-NH1 3.02Å
224	M	74.1	Confident	84.5	Confident	156 Å²	156	68.4 Å²	68.4	77%	0.768	38%	0.383	S	S	*	.	H	α-helix	trans	-56.9	-34.8	-178.4	-67.3	179.6	68.8	0	0	112.9	L222 V228	L222-M224 PolarHBondContact O-N 3.34Å; M224-V228 WeakPolarHBondContact O-CG2 3.44Å; M224-V228 PolarHBondContact O-N 3.32Å
225	V	76.2	Confident	84.1	Confident	79 Å²	79	69.6 Å²	69.6	48%	0.479	38%	0.38	S	S	.	.	H	α-helix	trans	-70.3	-44.2	-179.7	-179.5	0	0	0	0	110.5	D223	D223-V225 PolarHBondContact O-N 3.29Å; D223-V225 PolarHBondContact OD1-N 2.95Å
226	S	77.3	Confident	84	Confident	2 Å²	2	68.7 Å²	68.7	1%	0.014	38%	0.377	C	S	.	.	H	α-helix	trans	-72.1	-40.6	179.1	-57.4	0	0	0	0	112	D223 V228 K229 I230 R300	D223-S226 PolarHBondContact O-N 3.02Å; D223-S226 VanDerWaalsContact O-N 3.14Å; D223-S226 VanDerWaalsContact OD2-CB 3.25Å; D223-S226 WeakPolarHBondContact OD2-CB 3.14Å; D223-S226 PolarHBondContact OD2-N 3.12Å; D223-S226 PolarHBondContact OD2-OG 3.11Å; S226-V228 VanDerWaalsContact C-N 3.26Å; S226-V228 PolarHBondContact O-N 3.34Å; S226-K229 PolarHBondContact O-N 3.34Å; S226-K229 VanDerWaalsContact O-N 3.12Å; S226-I230 WeakPolarHBondContact O-CA 3.35Å; S226-I230 WeakPolarHBondContact O-CB 3.5Å; S226-I230 PolarHBondContact O-N 3.43Å; S226-R300 PolarHBondContact OG-NH1 3.47Å
227	A	74.9	Confident	84	Confident	38 Å²	38	70.2 Å²	70.2	31%	0.314	39%	0.389	S	S	.	.	H	α-helix	trans	-59.6	-34.1	179.8	0	0	0	0	0	113	R220 D223 I230	R220-A227 PolarHBondContact O-N 3.02Å; D223-A227 WeakPolarHBondContact O-CB 2.87Å; D223-A227 PolarHBondContact O-N 3.24Å; A227-I230 CarbonylContact O-C 3.59Å
228	V	72.4	Confident	84	Confident	123 Å²	123	71.9 Å²	71.9	75%	0.745	41%	0.405	S	S	*	.	H	α-helix	trans	-72.5	-40.8	175.8	173.4	0	0	0	0	111.9	M224 S226	M224-V228 WeakPolarHBondContact O-CG2 3.44Å; M224-V228 PolarHBondContact O-N 3.32Å; S226-V228 VanDerWaalsContact C-N 3.26Å; S226-V228 PolarHBondContact O-N 3.34Å
229	K	73.5	Confident	84	Confident	80 Å²	80	66.5 Å²	66.5	35%	0.348	38%	0.383	S	S	.	.	H	α-helix	trans	-75.6	-30	179.4	-66.2	-174.9	-167.7	-179.1	0	112.4	S226 P231 E304 E305 W306	S226-K229 PolarHBondContact O-N 3.34Å; S226-K229 VanDerWaalsContact O-N 3.12Å; K229-P231 VanDerWaalsContact C-CD 3.45Å; K229-P231 WeakPolarHBondContact O-CD 3.5Å; K229-E304 PolarHBondContact NZ-O 3.44Å; K229-E305 PolarHBondContact NZ-O 3.38Å; K229-W306 VanDerWaalsContact NZ-C 3.3Å; K229-W306 PolarHBondContact NZ-O 3.04Å
230	I	76.8	Confident	84.1	Confident	20 Å²	20	66.4 Å²	66.4	10%	0.103	38%	0.382	C	S	.	.			trans	-128.3	67.5	-169.8	-50.9	179.8	0	0	0	109.1	S226 A227 N232 I235 S236 A239 E304	S226-I230 WeakPolarHBondContact O-CA 3.35Å; S226-I230 WeakPolarHBondContact O-CB 3.5Å; S226-I230 PolarHBondContact O-N 3.43Å; A227-I230 CarbonylContact O-C 3.59Å; I230-N232 VanDerWaalsContact C-N 3.26Å; I230-N232 PolarHBondContact O-N 2.93Å; I230-I235 HydrophobicContact CG1-CG2 4.48Å; I230-I235 HydrophobicContact CG2-CB 3.63Å; I230-I235 HydrophobicContact CG2-CG2 3.59Å; I230-S236 VanDerWaalsContact CG2-CA 3.41Å; I230-A239 HydrophobicContact CD1-CB 3.96Å; I230-E304 HydrophobicContact CD1-CG 4.14Å; I230-E304 WeakPolarHBondContact CD1-OE1 3.34Å
231	P	74.9	Confident	84.4	Confident	96 Å²	96	69.9 Å²	69.9	62%	0.623	40%	0.403	S	S	*	.			trans	-72.4	-22.9	-175.5	29.3	-35.8	0	0	0	112.6	K229	K229-P231 VanDerWaalsContact C-CD 3.45Å; K229-P231 WeakPolarHBondContact O-CD 3.5Å
232	N	86	Confident	84.7	Confident	95 Å²	95	69.6 Å²	69.6	51%	0.508	39%	0.388	S	S	.	.	S	Bend	trans	-95.7	134.1	-173.2	-64.2	-6.5	0	0	0	110.8	I230 H234 I235 S236	I230-N232 VanDerWaalsContact C-N 3.26Å; I230-N232 PolarHBondContact O-N 2.93Å; N232-H234 VanDerWaalsContact C-N 3.28Å; N232-H234 PolarHBondContact O-N 2.99Å; N232-I235 HydrophobicContact CB-CB 4.46Å; N232-I235 HydrophobicContact CB-CD1 3.92Å; N232-I235 HydrophobicContact CB-CG1 3.96Å; N232-I235 PolarHBondContact O-N 3.43Å; N232-S236 PolarHBondContact O-N 3.46Å
233	L	89.9	Confident	85.2	Confident	125 Å²	125	71.1 Å²	71.1	65%	0.654	40%	0.396	S	S	*	.	H	α-helix	trans	-52.4	-44.3	177.3	178.4	61.8	0	0	0	112.6	T217 I235 S236 A237	T217-L233 HydrophobicContact CG2-CD1 4.08Å; L233-I235 VanDerWaalsContact C-N 3.29Å; L233-I235 PolarHBondContact O-N 3.13Å; L233-S236 PolarHBondContact O-N 3.33Å; L233-A237 WeakPolarHBondContact O-CB 3.49Å; L233-A237 PolarHBondContact O-N 3.38Å
234	H	90.5	Very high	85.8	Confident	166 Å²	166	71 Å²	71	77%	0.769	40%	0.398	S	S	*	.	H	α-helix	trans	-61	-35.9	179.3	-69.7	-69.4	0	0	0	113	N232 A238	N232-H234 VanDerWaalsContact C-N 3.28Å; N232-H234 PolarHBondContact O-N 2.99Å; H234-A238 VanDerWaalsContact O-CB 3.32Å; H234-A238 WeakPolarHBondContact O-CB 3.08Å; H234-A238 PolarHBondContact O-N 3.21Å
235	I	89	Confident	86.8	Confident	84 Å²	84	64 Å²	64	43%	0.431	36%	0.363	S	S	.	.	H	α-helix	trans	-75.9	-36.8	179.3	-52.6	175	0	0	0	109.6	I230 N232 L233 A238 A239	I230-I235 HydrophobicContact CG1-CG2 4.48Å; I230-I235 HydrophobicContact CG2-CB 3.63Å; I230-I235 HydrophobicContact CG2-CG2 3.59Å; N232-I235 HydrophobicContact CB-CB 4.46Å; N232-I235 HydrophobicContact CB-CD1 3.92Å; N232-I235 HydrophobicContact CB-CG1 3.96Å; N232-I235 PolarHBondContact O-N 3.43Å; L233-I235 VanDerWaalsContact C-N 3.29Å; L233-I235 PolarHBondContact O-N 3.13Å; I235-A238 PolarHBondContact O-N 3.33Å; I235-A239 WeakPolarHBondContact O-CB 3.46Å; I235-A239 PolarHBondContact O-N 2.93Å
236	S	91.5	Very high	87.8	Confident	8 Å²	8	61.9 Å²	61.9	6%	0.056	35%	0.35	C	S	.	.	H	α-helix	trans	-65.1	-44	175.4	-175.9	0	0	0	0	111.8	T217 R220 I230 N232 L233 A239 S240	T217-S236 PolarHBondContact O-OG 3.07Å; R220-S236 WeakPolarHBondContact CB-OG 3.45Å; I230-S236 VanDerWaalsContact CG2-CA 3.41Å; N232-S236 PolarHBondContact O-N 3.46Å; L233-S236 PolarHBondContact O-N 3.33Å; S236-A239 PolarHBondContact O-N 2.97Å; S236-S240 PolarHBondContact O-N 3.34Å; S236-S240 PolarHBondContact O-OG 3.45Å
237	A	93.7	Very high	88.6	Confident	35 Å²	35	66.7 Å²	66.7	29%	0.289	37%	0.373	S	S	.	.	H	α-helix	trans	-62.9	-40.7	173.1	0	0	0	0	0	111.8	T217 L233 A239 S240 V241	T217-A237 HydrophobicContact CG2-CB 4.46Å; L233-A237 WeakPolarHBondContact O-CB 3.49Å; L233-A237 PolarHBondContact O-N 3.38Å; A237-A239 VanDerWaalsContact C-N 3.35Å; A237-A239 PolarHBondContact O-N 3.48Å; A237-S240 PolarHBondContact O-N 2.83Å; A237-S240 PolarHBondContact O-OG 3.3Å; A237-V241 WeakPolarHBondContact O-CG2 3.39Å; A237-V241 PolarHBondContact O-N 2.79Å
238	A	93.1	Very high	89.5	Confident	59 Å²	59	67.4 Å²	67.4	49%	0.488	37%	0.37	S	S	.	.	H	α-helix	trans	-65.9	-36.8	176.3	0	0	0	0	0	112.6	H234 I235 V241	H234-A238 VanDerWaalsContact O-CB 3.32Å; H234-A238 WeakPolarHBondContact O-CB 3.08Å; H234-A238 PolarHBondContact O-N 3.21Å; I235-A238 PolarHBondContact O-N 3.33Å; A238-V241 PolarHBondContact O-N 3.45Å
239	A	92.4	Very high	90.7	Very high	10 Å²	10	61.6 Å²	61.6	8%	0.083	33%	0.334	C	S	.	.	H	α-helix	trans	-67.9	-40.6	176.4	0	0	0	0	0	112.1	I230 I235 S236 A237 V241 R242	I230-A239 HydrophobicContact CD1-CB 3.96Å; I235-A239 WeakPolarHBondContact O-CB 3.46Å; I235-A239 PolarHBondContact O-N 2.93Å; S236-A239 PolarHBondContact O-N 2.97Å; A237-A239 VanDerWaalsContact C-N 3.35Å; A237-A239 PolarHBondContact O-N 3.48Å; A239-V241 VanDerWaalsContact C-N 3.25Å; A239-V241 PolarHBondContact O-N 2.77Å; A239-R242 WeakPolarHBondContact O-CB 3.29Å; A239-R242 VanDerWaalsContact O-CG 3.31Å; A239-R242 WeakPolarHBondContact O-CG 2.83Å; A239-R242 PolarHBondContact O-N 2.94Å
240	S	93.5	Very high	91.7	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.007	33%	0.327	C	S	.	.	H	α-helix	trans	-69.7	-19.8	177.3	70.7	0	0	0	0	114	R213 T217 S236 A237 R242 T245	R213-S240 WeakPolarHBondContact O-CB 3.29Å; R213-S240 PolarHBondContact O-OG 3.36Å; T217-S240 WeakPolarHBondContact OG1-CB 3.41Å; T217-S240 PolarHBondContact OG1-OG 3.1Å; S236-S240 PolarHBondContact O-N 3.34Å; S236-S240 PolarHBondContact O-OG 3.45Å; A237-S240 PolarHBondContact O-N 2.83Å; A237-S240 PolarHBondContact O-OG 3.3Å; S240-R242 VanDerWaalsContact C-N 3.3Å; S240-T245 WeakPolarHBondContact O-CB 3.13Å; S240-T245 VanDerWaalsContact O-CG2 3.3Å; S240-T245 WeakPolarHBondContact O-CG2 3.33Å; S240-T245 PolarHBondContact O-OG1 3.19Å
241	V	95.5	Very high	92.5	Very high	75 Å²	75	61.2 Å²	61.2	46%	0.455	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-13	176.3	172.3	0	0	0	0	112.6	A237 A238 A239	A237-V241 WeakPolarHBondContact O-CG2 3.39Å; A237-V241 PolarHBondContact O-N 2.79Å; A238-V241 PolarHBondContact O-N 3.45Å; A239-V241 VanDerWaalsContact C-N 3.25Å; A239-V241 PolarHBondContact O-N 2.77Å
242	R	94.9	Very high	93.4	Very high	63 Å²	63	57.2 Å²	57.2	24%	0.238	31%	0.309	C	S	.	.	S	Bend	trans	-64.3	152.9	-176.7	-63.8	176.1	63.3	75.8	4.7	112.3	A239 S240 V244 T245 T246 D301 M347	A239-R242 WeakPolarHBondContact O-CB 3.29Å; A239-R242 VanDerWaalsContact O-CG 3.31Å; A239-R242 WeakPolarHBondContact O-CG 2.83Å; A239-R242 PolarHBondContact O-N 2.94Å; S240-R242 VanDerWaalsContact C-N 3.3Å; R242-V244 HydrophobicContact CB-CG1 4.39Å; R242-V244 PolarHBondContact O-N 3.03Å; R242-T245 WeakPolarHBondContact O-CB 3.32Å; R242-T245 PolarHBondContact O-N 3.3Å; R242-T246 PolarHBondContact O-N 3Å; R242-D301 IonicContact CZ-OD1 3.96Å; R242-D301 IonicContact CZ-OD2 3.89Å; R242-D301 IonicContact NE-OD1 2.67Å; R242-D301 IonicContact NE-OD2 3.89Å; R242-D301 PolarHBondContact NE-OD2 3.1Å; R242-D301 IonicContact NH2-OD1 3.05Å; R242-D301 IonicContact NH2-OD2 3.52Å; R242-D301 PolarHBondContact NH2-OD2 3.47Å; R242-M347 VanDerWaalsContact NH2-CE 3.28Å; R242-M347 PolarHBondContact NH2-SD 3.12Å
243	D	96.3	Very high	93.8	Very high	134 Å²	134	52.7 Å²	52.7	72%	0.717	29%	0.285	S	S	*	.	H	α-helix	trans	-56.8	-28.4	-173.4	-63.3	-30	0	0	0	113.8	T245 T246 Q247	D243-T245 VanDerWaalsContact C-N 3.28Å; D243-T245 PolarHBondContact O-N 3.4Å; D243-T246 PolarHBondContact O-N 3.13Å; D243-Q247 WeakPolarHBondContact O-CB 3.34Å; D243-Q247 PolarHBondContact O-N 3.31Å
244	V	95.2	Very high	94	Very high	43 Å²	43	49 Å²	49	26%	0.261	26%	0.264	S	S	.	.	H	α-helix	trans	-59.4	-38.5	175.1	70.3	0	0	0	0	112.3	R242 E248 A299 D301	R242-V244 HydrophobicContact CB-CG1 4.39Å; R242-V244 PolarHBondContact O-N 3.03Å; V244-E248 WeakPolarHBondContact O-CB 3.2Å; V244-E248 PolarHBondContact O-N 3.34Å; V244-A299 HydrophobicContact CG1-CB 4.43Å; V244-A299 HydrophobicContact CG2-CB 4.25Å; V244-D301 HydrophobicContact CB-CB 4.19Å; V244-D301 HydrophobicContact CG1-CB 4.19Å; V244-D301 HydrophobicContact CG2-CB 4.46Å
245	T	95.8	Very high	94.1	Very high	8 Å²	8	45.5 Å²	45.5	5%	0.049	26%	0.258	C	S	.	.	H	α-helix	trans	-73	-39.2	177.3	-53.5	0	0	0	0	110.6	S240 R242 D243 E248 A249	S240-T245 WeakPolarHBondContact O-CB 3.13Å; S240-T245 VanDerWaalsContact O-CG2 3.3Å; S240-T245 WeakPolarHBondContact O-CG2 3.33Å; S240-T245 PolarHBondContact O-OG1 3.19Å; R242-T245 WeakPolarHBondContact O-CB 3.32Å; R242-T245 PolarHBondContact O-N 3.3Å; D243-T245 VanDerWaalsContact C-N 3.28Å; D243-T245 PolarHBondContact O-N 3.4Å; T245-E248 PolarHBondContact O-N 3.29Å; T245-A249 WeakPolarHBondContact O-CB 3.18Å; T245-A249 PolarHBondContact O-N 2.76Å
246	T	96.1	Very high	94.2	Very high	34 Å²	34	42.5 Å²	42.5	21%	0.209	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-46.1	175.3	-57.8	0	0	0	0	111	L209 R242 D243 E248 A249 M250	L209-T246 HydrophobicContact CD1-CG2 4.39Å; L209-T246 HydrophobicContact CD2-CG2 4.11Å; R242-T246 PolarHBondContact O-N 3Å; D243-T246 PolarHBondContact O-N 3.13Å; T246-E248 PolarHBondContact O-N 3.41Å; T246-A249 WeakPolarHBondContact O-CB 3.41Å; T246-A249 PolarHBondContact O-N 2.7Å; T246-M250 VanDerWaalsContact O-CG 3.27Å; T246-M250 WeakPolarHBondContact O-CG 3.4Å; T246-M250 PolarHBondContact O-N 2.85Å
247	Q	95	Very high	94.2	Very high	103 Å²	103	44.5 Å²	44.5	48%	0.481	27%	0.266	S	S	.	.	H	α-helix	trans	-62.1	-44.3	178.1	-176.7	62.6	58.3	0	0	111.1	D243 A249 M250 N251	D243-Q247 WeakPolarHBondContact O-CB 3.34Å; D243-Q247 PolarHBondContact O-N 3.31Å; Q247-A249 VanDerWaalsContact C-N 3.32Å; Q247-A249 PolarHBondContact O-N 2.96Å; Q247-M250 PolarHBondContact O-N 2.8Å; Q247-N251 PolarHBondContact NE2-OD1 3.48Å; Q247-N251 PolarHBondContact O-N 3.01Å; Q247-N251 PolarHBondContact O-ND2 3.3Å; Q247-N251 PolarHBondContact O-OD1 3.49Å
248	E	94.6	Very high	94.2	Very high	54 Å²	54	43.8 Å²	43.8	25%	0.252	26%	0.256	S	S	.	.	H	α-helix	trans	-61.6	-42.6	176.7	-173.4	61.3	-170.8	0	0	111.5	V244 T245 T246 M250 N251 I252 V297 A299	V244-E248 WeakPolarHBondContact O-CB 3.2Å; V244-E248 PolarHBondContact O-N 3.34Å; T245-E248 PolarHBondContact O-N 3.29Å; T246-E248 PolarHBondContact O-N 3.41Å; E248-M250 VanDerWaalsContact C-N 3.35Å; E248-M250 PolarHBondContact O-N 3.08Å; E248-N251 PolarHBondContact O-N 2.84Å; E248-I252 HydrophobicContact CG-CD1 4.02Å; E248-I252 WeakPolarHBondContact O-CG1 3.42Å; E248-I252 PolarHBondContact O-N 2.98Å; E248-V297 HydrophobicContact CG-CG1 4.25Å; E248-A299 HydrophobicContact CB-CB 4.09Å; E248-A299 HydrophobicContact CG-CB 4.33Å
249	A	95.8	Very high	94.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.5	-44.8	174	0	0	0	0	0	112.1	Y208 L209 A212 T245 T246 Q247 N251 I252 L253 F267	Y208-A249 HydrophobicContact CE1-CB 3.85Å; Y208-A249 WeakPolarHBondContact CE1-O 3.17Å; Y208-A249 PolarHBondContact OH-O 2.96Å; L209-A249 HydrophobicContact CD2-CB 3.8Å; A212-A249 HydrophobicContact CB-CB 3.64Å; T245-A249 WeakPolarHBondContact O-CB 3.18Å; T245-A249 PolarHBondContact O-N 2.76Å; T246-A249 WeakPolarHBondContact O-CB 3.41Å; T246-A249 PolarHBondContact O-N 2.7Å; Q247-A249 VanDerWaalsContact C-N 3.32Å; Q247-A249 PolarHBondContact O-N 2.96Å; A249-N251 VanDerWaalsContact C-N 3.33Å; A249-N251 PolarHBondContact O-N 3.46Å; A249-I252 PolarHBondContact O-N 3.14Å; A249-L253 WeakPolarHBondContact O-CB 3.49Å; A249-L253 PolarHBondContact O-N 3.1Å; A249-F267 HydrophobicContact CB-CE1 4.4Å; A249-F267 HydrophobicContact CB-CZ 3.72Å
250	M	94.5	Very high	94.2	Very high	38 Å²	38	46.1 Å²	46.1	19%	0.187	26%	0.259	C	S	.	.	H	α-helix	trans	-65.8	-37.1	178.5	-65.1	-59.2	-77.6	0	0	112.3	Y194 I205 L209 T246 Q247 E248 L253 H254	Y194-M250 HydrophobicContact CD2-CE 3.6Å; Y194-M250 HydrophobicContact CE2-CE 3.17Å; I205-M250 HydrophobicContact CG2-SD 4.38Å; L209-M250 HydrophobicContact CD2-CG 4.44Å; L209-M250 HydrophobicContact CD2-SD 4.05Å; T246-M250 VanDerWaalsContact O-CG 3.27Å; T246-M250 WeakPolarHBondContact O-CG 3.4Å; T246-M250 PolarHBondContact O-N 2.85Å; Q247-M250 PolarHBondContact O-N 2.8Å; E248-M250 VanDerWaalsContact C-N 3.35Å; E248-M250 PolarHBondContact O-N 3.08Å; M250-L253 PolarHBondContact O-N 3.39Å; M250-L253 HydrophobicContact SD-CD2 4.46Å; M250-H254 WeakPolarHBondContact O-CB 3.1Å; M250-H254 PolarHBondContact O-N 2.8Å
251	N	94.1	Very high	94.2	Very high	55 Å²	55	48.8 Å²	48.8	29%	0.294	28%	0.281	S	S	.	.	H	α-helix	trans	-64	-45.1	174.7	-66.6	-16.9	0	0	0	111.5	Q247 E248 A249 H254 S255	Q247-N251 PolarHBondContact NE2-OD1 3.48Å; Q247-N251 PolarHBondContact O-N 3.01Å; Q247-N251 PolarHBondContact O-ND2 3.3Å; Q247-N251 PolarHBondContact O-OD1 3.49Å; E248-N251 PolarHBondContact O-N 2.84Å; A249-N251 VanDerWaalsContact C-N 3.33Å; A249-N251 PolarHBondContact O-N 3.46Å; N251-H254 PolarHBondContact O-N 3.26Å; N251-S255 WeakPolarHBondContact O-CB 3.39Å; N251-S255 PolarHBondContact O-N 2.84Å; N251-S255 PolarHBondContact O-OG 3.22Å
252	I	94.2	Very high	94.1	Very high	12 Å²	12	47.8 Å²	47.8	6%	0.062	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-41.3	177	-70.3	167.9	0	0	0	110.9	E248 A249 H254 S255 S256 A263 F267	E248-I252 HydrophobicContact CG-CD1 4.02Å; E248-I252 WeakPolarHBondContact O-CG1 3.42Å; E248-I252 PolarHBondContact O-N 2.98Å; A249-I252 PolarHBondContact O-N 3.14Å; I252-H254 VanDerWaalsContact C-N 3.33Å; I252-H254 PolarHBondContact O-N 3.39Å; I252-S255 WeakPolarHBondContact CA-OG 3.4Å; I252-S255 PolarHBondContact O-N 3.22Å; I252-S255 PolarHBondContact O-OG 3.48Å; I252-S255 VanDerWaalsContact O-OG 3.08Å; I252-S256 WeakPolarHBondContact O-CB 3.41Å; I252-S256 PolarHBondContact O-N 2.68Å; I252-S256 PolarHBondContact O-OG 3.08Å; I252-A263 HydrophobicContact CG2-CB 4.17Å; I252-A263 WeakPolarHBondContact CG2-O 3.35Å; I252-F267 HydrophobicContact CD1-CD1 3.62Å; I252-F267 HydrophobicContact CD1-CE1 3.47Å; I252-F267 VanDerWaalsContact CD1-CE1 3.47Å; I252-F267 HydrophobicContact CD1-CG 4.35Å; I252-F267 HydrophobicContact CD1-CZ 4.11Å
253	L	94.3	Very high	94.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.5	-44.2	176.3	-174.7	64.2	0	0	0	111.5	L200 Y208 A249 M250 Y258 L260 A263	L200-L253 HydrophobicContact CD1-CD1 3.93Å; L200-L253 HydrophobicContact CD1-CD2 4.13Å; L200-L253 HydrophobicContact CD1-CG 4.39Å; Y208-L253 HydrophobicContact CD1-CD1 4.47Å; Y208-L253 HydrophobicContact CD1-CD2 4.26Å; Y208-L253 HydrophobicContact CE1-CB 3.84Å; Y208-L253 HydrophobicContact CE1-CD1 4.32Å; Y208-L253 HydrophobicContact CE1-CD2 4.28Å; Y208-L253 HydrophobicContact CE1-CG 4.38Å; A249-L253 WeakPolarHBondContact O-CB 3.49Å; A249-L253 PolarHBondContact O-N 3.1Å; M250-L253 PolarHBondContact O-N 3.39Å; M250-L253 HydrophobicContact SD-CD2 4.46Å; L253-Y258 HydrophobicContact CD2-CD1 4.2Å; L253-Y258 HydrophobicContact CD2-CE1 4.38Å; L253-Y258 HydrophobicContact CG-CD1 3.91Å; L253-Y258 HydrophobicContact CG-CE1 4.27Å; L253-Y258 WeakPolarHBondContact O-CA 3.37Å; L253-Y258 PolarHBondContact O-N 2.82Å; L253-L260 HydrophobicContact CD1-CD2 3.99Å; L253-A263 HydrophobicContact CD1-CB 4.18Å
254	H	93.8	Very high	94	Very high	47 Å²	47	41.3 Å²	41.3	22%	0.218	25%	0.247	C	C	.	.	H	α-helix	trans	-65.6	-47.6	177.3	-174.9	67.6	0	0	0	112.1	M192 L193 M250 N251 I252 S256 G257 Y258	M192-H254 PolarHBondContact O-NE2 2.92Å; M192-H254 VanDerWaalsContact O-NE2 3.11Å; L193-H254 WeakPolarHBondContact O-CB 3.36Å; M250-H254 WeakPolarHBondContact O-CB 3.1Å; M250-H254 PolarHBondContact O-N 2.8Å; N251-H254 PolarHBondContact O-N 3.26Å; I252-H254 VanDerWaalsContact C-N 3.33Å; I252-H254 PolarHBondContact O-N 3.39Å; H254-S256 VanDerWaalsContact C-N 3.25Å; H254-S256 PolarHBondContact O-N 3.07Å; H254-G257 PolarHBondContact O-N 2.93Å; H254-Y258 AromaticContact ND1-CE2 3.56Å; H254-Y258 AromaticContact ND1-CZ 3.57Å; H254-Y258 PolarHBondContact ND1-OH 3.07Å
255	S	91.9	Very high	93.8	Very high	92 Å²	92	45.3 Å²	45.3	64%	0.643	27%	0.266	S	S	*	.	H	α-helix	trans	-67.2	-26.4	-179.6	68.1	0	0	0	0	113.2	N251 I252 G257	N251-S255 WeakPolarHBondContact O-CB 3.39Å; N251-S255 PolarHBondContact O-N 2.84Å; N251-S255 PolarHBondContact O-OG 3.22Å; I252-S255 WeakPolarHBondContact CA-OG 3.4Å; I252-S255 PolarHBondContact O-N 3.22Å; I252-S255 PolarHBondContact O-OG 3.48Å; I252-S255 VanDerWaalsContact O-OG 3.08Å; S255-G257 PolarHBondContact O-N 2.81Å
256	S	92.4	Very high	93.6	Very high	22 Å²	22	47.6 Å²	47.6	15%	0.154	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	7.3	173.7	-54.9	0	0	0	0	113.3	I252 H254 Y258 D259 A263	I252-S256 WeakPolarHBondContact O-CB 3.41Å; I252-S256 PolarHBondContact O-N 2.68Å; I252-S256 PolarHBondContact O-OG 3.08Å; H254-S256 VanDerWaalsContact C-N 3.25Å; H254-S256 PolarHBondContact O-N 3.07Å; S256-Y258 PolarHBondContact O-N 3.46Å; S256-D259 PolarHBondContact O-N 2.77Å; S256-A263 WeakPolarHBondContact OG-CA 2.96Å
257	G	91.1	Very high	93.4	Very high	49 Å²	49	46.2 Å²	46.2	51%	0.505	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	26.9	-179.8	0	0	0	0	0	113.7	H254 S255 D259	H254-G257 PolarHBondContact O-N 2.93Å; S255-G257 PolarHBondContact O-N 2.81Å; G257-D259 PolarHBondContact O-N 2.83Å
258	Y	93	Very high	93.1	Very high	20 Å²	20	44.8 Å²	44.8	8%	0.078	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	16.6	-177.2	-57.9	-91	0	0	0	115.2	Y194 D195 R198 L200 L253 H254 S256	Y194-Y258 WeakPolarHBondContact CA-OH 3.28Å; Y194-Y258 HydrophobicContact CD2-CE1 4.13Å; Y194-Y258 WeakPolarHBondContact CD2-OH 3.43Å; Y194-Y258 AromaticContact CE2-CE1 3.78Å; Y194-Y258 HydrophobicContact CE2-CE1 3.78Å; D195-Y258 HydrophobicContact CB-CE2 3.95Å; D195-Y258 PolarHBondContact N-OH 2.85Å; R198-Y258 HydrophobicContact CB-CD1 4Å; R198-Y258 HydrophobicContact CB-CD2 3.59Å; R198-Y258 HydrophobicContact CB-CE1 4.36Å; R198-Y258 HydrophobicContact CB-CE2 4.01Å; R198-Y258 HydrophobicContact CB-CG 3.6Å; R198-Y258 HydrophobicContact CG-CD2 3.41Å; R198-Y258 VanDerWaalsContact CG-CD2 3.41Å; R198-Y258 HydrophobicContact CG-CE2 3.64Å; R198-Y258 HydrophobicContact CG-CG 3.99Å; L200-Y258 HydrophobicContact CD1-CD1 3.94Å; L200-Y258 HydrophobicContact CD1-CG 4.48Å; L253-Y258 HydrophobicContact CD2-CD1 4.2Å; L253-Y258 HydrophobicContact CD2-CE1 4.38Å; L253-Y258 HydrophobicContact CG-CD1 3.91Å; L253-Y258 HydrophobicContact CG-CE1 4.27Å; L253-Y258 WeakPolarHBondContact O-CA 3.37Å; L253-Y258 PolarHBondContact O-N 2.82Å; H254-Y258 AromaticContact ND1-CE2 3.56Å; H254-Y258 AromaticContact ND1-CZ 3.57Å; H254-Y258 PolarHBondContact ND1-OH 3.07Å; S256-Y258 PolarHBondContact O-N 3.46Å
259	D	93.2	Very high	92.6	Very high	75 Å²	75	44.5 Å²	44.5	40%	0.401	27%	0.274	S	S	.	.			trans	-81.1	115.7	166.5	175.5	33.4	0	0	0	110.6	S256 G257 A261 S262 A263	S256-D259 PolarHBondContact O-N 2.77Å; G257-D259 PolarHBondContact O-N 2.83Å; D259-A261 VanDerWaalsContact C-N 3.31Å; D259-A261 PolarHBondContact O-N 2.83Å; D259-A261 PolarHBondContact OD1-N 3.45Å; D259-S262 PolarHBondContact O-N 3.31Å; D259-S262 WeakPolarHBondContact OD2-CB 3.35Å; D259-S262 PolarHBondContact OD2-N 2.96Å; D259-S262 PolarHBondContact OD2-OG 2.94Å; D259-A263 VanDerWaalsContact O-CB 3.28Å; D259-A263 WeakPolarHBondContact O-CB 3.39Å; D259-A263 PolarHBondContact O-N 3Å
260	L	93.6	Very high	91.5	Very high	44 Å²	44	52.4 Å²	52.4	23%	0.23	31%	0.313	C	S	.	.	H	α-helix	trans	-63.5	-35.7	-178.3	-66.3	176.3	0	0	0	112.3	L200 K204 Y208 L253 A263 I264	L200-L260 HydrophobicContact CD1-CD2 4.26Å; L200-L260 HydrophobicContact CD2-CD1 4.13Å; L200-L260 HydrophobicContact CD2-CD2 4.34Å; L200-L260 HydrophobicContact CD2-CG 4.06Å; K204-L260 HydrophobicContact CB-CD1 4.22Å; K204-L260 HydrophobicContact CD-CD1 4.17Å; K204-L260 HydrophobicContact CG-CD1 4.44Å; Y208-L260 HydrophobicContact CD2-CD2 4.1Å; Y208-L260 HydrophobicContact CG-CD2 4.16Å; L253-L260 HydrophobicContact CD1-CD2 3.99Å; L260-A263 PolarHBondContact O-N 3.23Å; L260-I264 WeakPolarHBondContact O-CB 3.28Å; L260-I264 WeakPolarHBondContact O-CD1 3.12Å; L260-I264 VanDerWaalsContact O-CG1 3.22Å; L260-I264 WeakPolarHBondContact O-CG1 3.43Å; L260-I264 PolarHBondContact O-N 2.85Å
261	A	93.5	Very high	90.1	Very high	57 Å²	57	54.2 Å²	54.2	47%	0.471	33%	0.328	S	S	.	.	H	α-helix	trans	-67.2	-49.2	-179.1	0	0	0	0	0	110.5	D259 A263 I264 L265	D259-A261 VanDerWaalsContact C-N 3.31Å; D259-A261 PolarHBondContact O-N 2.83Å; D259-A261 PolarHBondContact OD1-N 3.45Å; A261-A263 PolarHBondContact O-N 3.21Å; A261-I264 PolarHBondContact O-N 3.16Å; A261-L265 WeakPolarHBondContact O-CG 3.39Å; A261-L265 PolarHBondContact O-N 2.94Å; A261-L265 VanDerWaalsContact O-N 3.13Å
262	S	93	Very high	88.3	Confident	54 Å²	54	55 Å²	55	38%	0.378	34%	0.337	S	S	.	.	H	α-helix	trans	-59.3	-45.8	174.1	-62.1	0	0	0	0	111.8	D259 I264 L265 S266	D259-S262 PolarHBondContact O-N 3.31Å; D259-S262 WeakPolarHBondContact OD2-CB 3.35Å; D259-S262 PolarHBondContact OD2-N 2.96Å; D259-S262 PolarHBondContact OD2-OG 2.94Å; S262-I264 VanDerWaalsContact C-N 3.34Å; S262-I264 PolarHBondContact O-N 3.31Å; S262-L265 PolarHBondContact O-N 2.99Å; S262-S266 PolarHBondContact O-N 3.29Å; S262-S266 PolarHBondContact O-OG 2.89Å; S262-S266 VanDerWaalsContact O-OG 3.11Å
263	A	93.8	Very high	86.4	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-62.3	-37	-179.9	0	0	0	0	0	113.4	Y208 I252 L253 S256 D259 L260 A261 F267	Y208-A263 HydrophobicContact CE2-CB 3.66Å; I252-A263 HydrophobicContact CG2-CB 4.17Å; I252-A263 WeakPolarHBondContact CG2-O 3.35Å; L253-A263 HydrophobicContact CD1-CB 4.18Å; S256-A263 WeakPolarHBondContact OG-CA 2.96Å; D259-A263 VanDerWaalsContact O-CB 3.28Å; D259-A263 WeakPolarHBondContact O-CB 3.39Å; D259-A263 PolarHBondContact O-N 3Å; L260-A263 PolarHBondContact O-N 3.23Å; A261-A263 PolarHBondContact O-N 3.21Å; A263-F267 WeakPolarHBondContact O-CD2 3.41Å
264	I	94.1	Very high	84.4	Confident	60 Å²	60	72.2 Å²	72.2	31%	0.308	42%	0.415	S	S	.	.	H	α-helix	trans	-69.1	-42.2	176.1	-70.2	166.8	0	0	0	111	Y208 I211 L260 A261 S262 S266 F267	Y208-I264 HydrophobicContact CD2-CG1 4.26Å; Y208-I264 HydrophobicContact CE2-CG1 4.35Å; I211-I264 HydrophobicContact CD1-CD1 4.03Å; I211-I264 HydrophobicContact CG2-CG1 4.42Å; L260-I264 WeakPolarHBondContact O-CB 3.28Å; L260-I264 WeakPolarHBondContact O-CD1 3.12Å; L260-I264 VanDerWaalsContact O-CG1 3.22Å; L260-I264 WeakPolarHBondContact O-CG1 3.43Å; L260-I264 PolarHBondContact O-N 2.85Å; A261-I264 PolarHBondContact O-N 3.16Å; S262-I264 VanDerWaalsContact C-N 3.34Å; S262-I264 PolarHBondContact O-N 3.31Å; I264-S266 VanDerWaalsContact C-N 3.29Å; I264-S266 PolarHBondContact O-N 3.42Å; I264-F267 WeakPolarHBondContact O-CB 3.39Å; I264-F267 PolarHBondContact O-N 2.9Å
265	L	92.2	Very high	82.2	Confident	128 Å²	128	73 Å²	73	67%	0.67	43%	0.43	S	S	*	.	H	α-helix	trans	-65	-34.1	177.9	-68.8	173.2	0	0	0	112.1	A261 S262 F267 V268	A261-L265 WeakPolarHBondContact O-CG 3.39Å; A261-L265 PolarHBondContact O-N 2.94Å; A261-L265 VanDerWaalsContact O-N 3.13Å; S262-L265 PolarHBondContact O-N 2.99Å; L265-F267 PolarHBondContact O-N 2.51Å; L265-V268 CarbonylContact O-C 3.47Å; L265-V268 PolarHBondContact O-N 3.06Å
266	S	91.9	Very high	80	Confident	55 Å²	55	72.3 Å²	72.3	39%	0.385	43%	0.429	S	S	.	.	H	α-helix	trans	-62.9	-22.4	175.7	-66.7	0	0	0	0	114.1	S262 I264 V268	S262-S266 PolarHBondContact O-N 3.29Å; S262-S266 PolarHBondContact O-OG 2.89Å; S262-S266 VanDerWaalsContact O-OG 3.11Å; I264-S266 VanDerWaalsContact C-N 3.29Å; I264-S266 PolarHBondContact O-N 3.42Å; S266-V268 VanDerWaalsContact C-N 3.25Å; S266-V268 PolarHBondContact O-N 3.38Å
267	F	91.8	Very high	77.7	Confident	6 Å²	6	75.3 Å²	75.3	3%	0.026	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-15.1	172.7	-76.7	-65.7	0	0	0	113.8	Y208 A212 I215 A249 I252 A263 I264 L265 P269 P296 V297	Y208-F267 AromaticContact CE2-CE2 3.63Å; Y208-F267 HydrophobicContact CE2-CE2 3.63Å; Y208-F267 HydrophobicContact CE2-CZ 4.43Å; Y208-F267 AromaticContact CZ-CE2 3.59Å; Y208-F267 AromaticContact CZ-CZ 3.94Å; Y208-F267 WeakPolarHBondContact OH-CE2 3.26Å; Y208-F267 WeakPolarHBondContact OH-CZ 3.49Å; A212-F267 HydrophobicContact CB-CE1 4.09Å; A212-F267 HydrophobicContact CB-CE2 3.86Å; A212-F267 HydrophobicContact CB-CZ 3.4Å; A212-F267 VanDerWaalsContact CB-CZ 3.4Å; I215-F267 HydrophobicContact CD1-CB 3.68Å; I215-F267 HydrophobicContact CD1-CD2 3.82Å; I215-F267 HydrophobicContact CD1-CG 3.92Å; I215-F267 HydrophobicContact CG2-CB 4.15Å; A249-F267 HydrophobicContact CB-CE1 4.4Å; A249-F267 HydrophobicContact CB-CZ 3.72Å; I252-F267 HydrophobicContact CD1-CD1 3.62Å; I252-F267 HydrophobicContact CD1-CE1 3.47Å; I252-F267 VanDerWaalsContact CD1-CE1 3.47Å; I252-F267 HydrophobicContact CD1-CG 4.35Å; I252-F267 HydrophobicContact CD1-CZ 4.11Å; A263-F267 WeakPolarHBondContact O-CD2 3.41Å; I264-F267 WeakPolarHBondContact O-CB 3.39Å; I264-F267 PolarHBondContact O-N 2.9Å; L265-F267 PolarHBondContact O-N 2.51Å; F267-P269 VanDerWaalsContact C-CD 3.48Å; F267-P296 CarbonylContact O-C 3.59Å; F267-P296 VanDerWaalsContact O-CA 3.27Å; F267-P296 WeakPolarHBondContact O-CA 3.45Å; F267-V297 HydrophobicContact CD1-CB 4.3Å; F267-V297 WeakPolarHBondContact O-CG2 3.33Å; F267-V297 PolarHBondContact O-N 3.46Å
268	V	88.7	Confident	75.2	Confident	73 Å²	73	78.7 Å²	78.7	44%	0.442	47%	0.466	S	S	.	.	S	Bend	trans	-130.5	68.7	-178.3	-167.6	0	0	0	0	109.1	L265 S266 M270 P296	L265-V268 CarbonylContact O-C 3.47Å; L265-V268 PolarHBondContact O-N 3.06Å; S266-V268 VanDerWaalsContact C-N 3.25Å; S266-V268 PolarHBondContact O-N 3.38Å; V268-M270 PolarHBondContact O-N 3.38Å; V268-P296 HydrophobicContact CG2-CB 4.47Å
269	P	83	Confident	72.8	Confident	48 Å²	48	82.7 Å²	82.7	31%	0.312	50%	0.497	S	S	.	.			trans	-59.1	133	-179.9	24.2	-34.5	0	0	0	111.1	F267 G295 V297	F267-P269 VanDerWaalsContact C-CD 3.48Å; P269-G295 WeakPolarHBondContact CD-O 3.4Å; P269-V297 HydrophobicContact CG-CG2 4.45Å
270	M	74.2	Confident	70.1	Confident	165 Å²	165	87.4 Å²	87.4	81%	0.813	52%	0.522	S	S	*	.			trans	-73.1	143.7	171.6	-71.4	-67.6	-73.1	0	0	109.8	V268 S272	V268-M270 PolarHBondContact O-N 3.38Å; M270-S272 PolarHBondContact O-N 2.95Å
271	P	63.9	Low	67.2	Low	76 Å²	76	88.5 Å²	88.5	49%	0.494	54%	0.544	S	S	.	.			trans	-65.8	107	174.4	25	-28.5	0	0	0	109.2
272	S	57.6	Low	64.2	Low	71 Å²	71	94.2 Å²	94.2	50%	0.497	56%	0.561	S	S	.	*			trans	-80.4	135.2	169	63.5	0	0	0	0	108.9	M270 E274 A275	M270-S272 PolarHBondContact O-N 2.95Å; S272-E274 PolarHBondContact O-N 3Å; S272-A275 PolarHBondContact O-N 2.83Å
273	K	54.4	Low	61.4	Low	209 Å²	209	97.2 Å²	97.2	91%	0.909	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-11.6	179.4	-76.6	-176.6	176.3	178.6	0	113.7
274	E	50.9	Low	58.6	Low	166 Å²	166	102.9 Å²	102.9	78%	0.776	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-26.8	-174.1	-68.3	164.2	179.2	0	0	113.1	S272	S272-E274 PolarHBondContact O-N 3Å
275	A	48.9	Very low	55.6	Low	64 Å²	64	103.4 Å²	103.4	53%	0.529	62%	0.62	S	S	.	*	G	3₁₀ helix	trans	-77.5	-21.3	-177.4	0	0	0	0	0	113.8	S272 A277	S272-A275 PolarHBondContact O-N 2.83Å; A275-A277 PolarHBondContact O-N 3.45Å
276	A	44.9	Very low	53.1	Low	77 Å²	77	100.5 Å²	100.5	64%	0.636	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-70.6	-11.4	179.8	0	0	0	0	0	113.9
277	A	44.2	Very low	50.4	Low	85 Å²	85	101.4 Å²	101.4	70%	0.702	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-99.2	1.8	-172.3	0	0	0	0	0	114.9	A275	A275-A277 PolarHBondContact O-N 3.45Å
278	T	38.9	Very low	48.3	Very low	119 Å²	119	102.2 Å²	102.2	73%	0.73	64%	0.639	S	S	*	*			trans	-137.3	70.9	-176.3	49	0	0	0	0	112.1
279	S	42	Very low	46.2	Very low	105 Å²	105	102 Å²	102	73%	0.734	64%	0.639	S	S	*	*			trans	-119.1	41.3	-179.1	73.1	0	0	0	0	114.3
280	D	36.9	Very low	44.7	Very low	174 Å²	174	105 Å²	105	93%	0.93	65%	0.652	S	S	*	*			trans	-100.3	13.8	171	-69.6	-33	0	0	0	112.8
281	G	33.1	Very low	43.3	Very low	67 Å²	67	100.7 Å²	100.7	69%	0.691	64%	0.638	S	S	*	*	S	Bend	trans	-94.9	127.8	-179.4	0	0	0	0	0	113.7
282	E	30.5	Very low	42.4	Very low	177 Å²	177	102.4 Å²	102.4	83%	0.827	65%	0.649	S	S	*	*			trans	-53.4	130.4	176.4	-168.5	172.8	179.6	0	0	112.4	T284	E282-T284 PolarHBondContact O-N 2.86Å
283	P	34.2	Very low	41.9	Very low	116 Å²	116	106.9 Å²	106.9	75%	0.753	66%	0.664	S	S	*	*			trans	-69.9	109.7	-177.9	27	-30.9	0	0	0	109.5	T285	P283-T285 PolarHBondContact O-N 3.35Å; P283-T285 VanDerWaalsContact O-N 3.14Å
284	T	33.4	Very low	42.2	Very low	120 Å²	120	98.1 Å²	98.1	74%	0.736	63%	0.633	S	S	*	*			trans	-69.3	111.7	172.6	-51.7	0	0	0	0	108.1	E282 G286 A287	E282-T284 PolarHBondContact O-N 2.86Å; T284-G286 PolarHBondContact O-N 3.24Å; T284-G286 VanDerWaalsContact O-N 3.08Å; T284-A287 PolarHBondContact O-N 3.18Å
285	T	32.3	Very low	43.4	Very low	71 Å²	71	91.3 Å²	91.3	44%	0.436	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.2	112.3	179.6	54.1	0	0	0	0	110.3	P283 N340	P283-T285 PolarHBondContact O-N 3.35Å; P283-T285 VanDerWaalsContact O-N 3.14Å; T285-N340 WeakPolarHBondContact CB-ND2 3.44Å; T285-N340 PolarHBondContact OG1-ND2 2.8Å
286	G	39	Very low	45.3	Very low	66 Å²	66	89.4 Å²	89.4	68%	0.68	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	124.2	-2.7	177.6	0	0	0	0	0	116.1	T284	T284-G286 PolarHBondContact O-N 3.24Å; T284-G286 VanDerWaalsContact O-N 3.08Å
287	A	36.6	Very low	47.4	Very low	74 Å²	74	86.3 Å²	86.3	61%	0.612	56%	0.563	S	S	*	*	S	Bend	trans	-88.7	137.5	172.3	0	0	0	0	0	110.9	T284 T289	T284-A287 PolarHBondContact O-N 3.18Å; A287-T289 PolarHBondContact O-N 2.8Å
288	A	46.2	Very low	49.6	Very low	23 Å²	23	82.6 Å²	82.6	19%	0.19	53%	0.531	C	S	.	.			trans	-49.4	127.4	172.7	0	0	0	0	0	109.8	N290 V297	A288-N290 VanDerWaalsContact C-N 3.3Å; A288-N290 PolarHBondContact O-N 2.69Å; A288-V297 HydrophobicContact CB-CG1 3.77Å
289	T	45.4	Very low	52.1	Low	69 Å²	69	77.3 Å²	77.3	42%	0.423	50%	0.499	S	S	.	.			trans	-70.8	91.8	-179.5	53.5	0	0	0	0	108.1	A287 S291	A287-T289 PolarHBondContact O-N 2.8Å; T289-S291 PolarHBondContact O-N 3.2Å
290	N	50.4	Low	54.5	Low	110 Å²	110	74.6 Å²	74.6	59%	0.588	47%	0.473	S	S	*	.			trans	-67.1	101.8	165.9	-72	-25.2	0	0	0	106.6	A288 P292	A288-N290 VanDerWaalsContact C-N 3.3Å; A288-N290 PolarHBondContact O-N 2.69Å; N290-P292 WeakPolarHBondContact O-CD 3.39Å
291	S	46	Very low	57.2	Low	75 Å²	75	66.5 Å²	66.5	52%	0.524	43%	0.43	S	S	.	.			trans	-61.1	124.2	176.4	-146.9	0	0	0	0	107.9	T289 M293 G294	T289-S291 PolarHBondContact O-N 3.2Å; S291-M293 PolarHBondContact O-N 3.04Å; S291-G294 PolarHBondContact O-N 3.13Å
292	P	43.7	Very low	60.1	Low	113 Å²	113	63.5 Å²	63.5	73%	0.734	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-17.7	-177.7	-24.3	31.9	0	0	0	114	N290 G294	N290-P292 WeakPolarHBondContact O-CD 3.39Å; P292-G294 VanDerWaalsContact C-N 3.33Å
293	M	48.5	Very low	63.1	Low	165 Å²	165	57 Å²	57	81%	0.813	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	2.7	179	-75.8	173.3	62.4	0	0	114.4	S291	S291-M293 PolarHBondContact O-N 3.04Å
294	G	60.8	Low	65.8	Low	24 Å²	24	52.4 Å²	52.4	25%	0.247	34%	0.337	C	S	.	.			trans	73.7	151.6	-167.6	0	0	0	0	0	111.2	S291 P292	S291-G294 PolarHBondContact O-N 3.13Å; P292-G294 VanDerWaalsContact C-N 3.33Å
295	G	75.2	Confident	68.5	Low	23 Å²	23	49.3 Å²	49.3	24%	0.237	31%	0.314	C	S	.	.			trans	153.5	167.1	-176.3	0	0	0	0	0	112.2	P269	P269-G295 WeakPolarHBondContact CD-O 3.4Å
296	P	89.7	Confident	71.4	Confident	24 Å²	24	46.3 Å²	46.3	16%	0.156	30%	0.295	C	S	.	.			trans	-63.4	139.8	179.6	29.3	-37.2	0	0	0	111.5	I215 F218 A219 L222 F267 V268 L298	I215-P296 HydrophobicContact CG2-CB 3.61Å; F218-P296 HydrophobicContact CD1-CG 4.07Å; F218-P296 HydrophobicContact CE1-CG 4.46Å; A219-P296 HydrophobicContact CB-CB 3.9Å; A219-P296 HydrophobicContact CB-CG 3.67Å; L222-P296 HydrophobicContact CD1-CG 4.1Å; F267-P296 CarbonylContact O-C 3.59Å; F267-P296 VanDerWaalsContact O-CA 3.27Å; F267-P296 WeakPolarHBondContact O-CA 3.45Å; V268-P296 HydrophobicContact CG2-CB 4.47Å; P296-L298 PolarHBondContact O-N 3.48Å
297	V	88.4	Confident	73.9	Confident	12 Å²	12	45.1 Å²	45.1	7%	0.073	28%	0.276	C	S	.	.			trans	-61.1	128.7	177.9	171.3	0	0	0	0	110	E248 F267 P269 A288	E248-V297 HydrophobicContact CG-CG1 4.25Å; F267-V297 HydrophobicContact CD1-CB 4.3Å; F267-V297 WeakPolarHBondContact O-CG2 3.33Å; F267-V297 PolarHBondContact O-N 3.46Å; P269-V297 HydrophobicContact CG-CG2 4.45Å; A288-V297 HydrophobicContact CB-CG1 3.77Å
298	L	89.6	Confident	76.3	Confident	7 Å²	7	45.2 Å²	45.2	4%	0.037	28%	0.277	C	S	.	.			trans	-115.5	104	179.5	-178.9	58.1	0	0	0	110.8	A219 R220 D223 P296 R300	A219-L298 HydrophobicContact CB-CB 4.14Å; A219-L298 HydrophobicContact CB-CD1 4.09Å; R220-L298 HydrophobicContact CG-CD1 3.44Å; R220-L298 VanDerWaalsContact CG-CD1 3.44Å; D223-L298 HydrophobicContact CB-CD2 3.72Å; P296-L298 PolarHBondContact O-N 3.48Å; L298-R300 HydrophobicContact CD1-CG 4.22Å; L298-R300 HydrophobicContact CD2-CG 4.42Å; L298-R300 HydrophobicContact CG-CG 3.99Å
299	A	91.8	Very high	78.5	Confident	8 Å²	8	47.1 Å²	47.1	7%	0.066	29%	0.293	C	S	.	.			trans	-91.1	120	173.8	0	0	0	0	0	110.3	R220 V244 E248	R220-A299 PolarHBondContact NH2-O 2.97Å; V244-A299 HydrophobicContact CG1-CB 4.43Å; V244-A299 HydrophobicContact CG2-CB 4.25Å; E248-A299 HydrophobicContact CB-CB 4.09Å; E248-A299 HydrophobicContact CG-CB 4.33Å
300	R	91.9	Very high	80.9	Confident	48 Å²	48	45.1 Å²	45.1	18%	0.181	28%	0.279	C	S	.	.			trans	-127.8	136.9	177.1	-60.5	-175.9	-64.4	-164	-2.1	109.2	D223 S226 L298 E304	D223-R300 IonicContact OD2-NH1 2.63Å; D223-R300 PolarHBondContact OD2-NH1 3.02Å; S226-R300 PolarHBondContact OG-NH1 3.47Å; L298-R300 HydrophobicContact CD1-CG 4.22Å; L298-R300 HydrophobicContact CD2-CG 4.42Å; L298-R300 HydrophobicContact CG-CG 3.99Å; R300-E304 HydrophobicContact CB-CB 4.35Å; R300-E304 HydrophobicContact CB-CG 4.4Å; R300-E304 HydrophobicContact CG-CG 4.19Å
301	D	94.3	Very high	83	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.021	26%	0.257	C	S	.	.			trans	-90.7	176.1	169.3	56.4	37.2	0	0	0	111.1	R242 V244 L303 E304 E305 M347	R242-D301 IonicContact CZ-OD1 3.96Å; R242-D301 IonicContact CZ-OD2 3.89Å; R242-D301 IonicContact NE-OD1 2.67Å; R242-D301 IonicContact NE-OD2 3.89Å; R242-D301 PolarHBondContact NE-OD2 3.1Å; R242-D301 IonicContact NH2-OD1 3.05Å; R242-D301 IonicContact NH2-OD2 3.52Å; R242-D301 PolarHBondContact NH2-OD2 3.47Å; V244-D301 HydrophobicContact CB-CB 4.19Å; V244-D301 HydrophobicContact CG1-CB 4.19Å; V244-D301 HydrophobicContact CG2-CB 4.46Å; D301-L303 PolarHBondContact O-N 3.13Å; D301-L303 VanDerWaalsContact O-N 3.16Å; D301-L303 WeakPolarHBondContact OD1-CB 3.49Å; D301-L303 PolarHBondContact OD1-N 3.01Å; D301-E304 PolarHBondContact O-N 2.94Å; D301-E304 VanDerWaalsContact O-N 3.17Å; D301-E304 PolarHBondContact OD1-N 3.36Å; D301-E305 VanDerWaalsContact O-CB 3.26Å; D301-E305 WeakPolarHBondContact O-CB 3.2Å; D301-E305 PolarHBondContact O-N 3.25Å; D301-M347 HydrophobicContact CB-CE 3.62Å; D301-M347 HydrophobicContact CB-SD 3.68Å; D301-M347 WeakPolarHBondContact OD2-CE 3.18Å
302	Q	94.9	Very high	85.3	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.019	25%	0.248	C	C	.	.	H	α-helix	trans	-58.8	-31.5	-177.4	-64.6	-55.9	-57.5	0	0	112.8	E304 E305 W306 N340 E343 Y344	Q302-E304 PolarHBondContact O-N 2.8Å; Q302-E305 PolarHBondContact NE2-OE2 2.85Å; Q302-W306 VanDerWaalsContact O-CG 3.3Å; Q302-W306 PolarHBondContact O-N 3.09Å; Q302-N340 HydrophobicContact CG-CB 4.11Å; Q302-E343 HydrophobicContact CB-CG 4.45Å; Q302-E343 HydrophobicContact CG-CB 4.13Å; Q302-E343 HydrophobicContact CG-CG 4.09Å; Q302-E343 WeakPolarHBondContact CG-OE1 3.41Å; Q302-Y344 HydrophobicContact CB-CD2 4.37Å; Q302-Y344 WeakPolarHBondContact O-CD2 3.49Å
303	L	92.7	Very high	87.8	Confident	42 Å²	42	37.3 Å²	37.3	22%	0.22	23%	0.227	C	C	.	.	H	α-helix	trans	-64.3	-41.1	-180	-174.8	67.7	0	0	0	111.8	D301 Y344 M347 T351	D301-L303 PolarHBondContact O-N 3.13Å; D301-L303 VanDerWaalsContact O-N 3.16Å; D301-L303 WeakPolarHBondContact OD1-CB 3.49Å; D301-L303 PolarHBondContact OD1-N 3.01Å; L303-Y344 HydrophobicContact CD1-CE2 3.98Å; L303-M347 HydrophobicContact CB-CB 3.88Å; L303-M347 HydrophobicContact CB-SD 3.95Å; L303-M347 HydrophobicContact CD1-CB 4.44Å; L303-M347 HydrophobicContact CD2-CB 4.2Å; L303-M347 HydrophobicContact CG-CB 4.4Å; L303-T351 HydrophobicContact CD1-CG2 4.04Å; L303-T351 HydrophobicContact CD2-CG2 4.34Å
304	E	90.8	Very high	90.2	Very high	18 Å²	18	29.4 Å²	29.4	8%	0.084	19%	0.188	C	C	.	.	H	α-helix	trans	-82.4	-36.9	178.4	-176.4	179.3	173.1	0	0	113	R220 K229 I230 R300 D301 Q302 W306	R220-E304 IonicContact CZ-OE1 3.45Å; R220-E304 IonicContact CZ-OE2 3.27Å; R220-E304 IonicContact NE-OE1 3.35Å; R220-E304 PolarHBondContact NE-OE1 3.33Å; R220-E304 IonicContact NE-OE2 3.47Å; R220-E304 PolarHBondContact NE-OE2 3.43Å; R220-E304 IonicContact NH2-OE1 2.71Å; R220-E304 PolarHBondContact NH2-OE1 2.75Å; R220-E304 IonicContact NH2-OE2 3.85Å; R220-E304 PolarHBondContact NH2-OE2 3.04Å; K229-E304 PolarHBondContact NZ-O 3.44Å; I230-E304 HydrophobicContact CD1-CG 4.14Å; I230-E304 WeakPolarHBondContact CD1-OE1 3.34Å; R300-E304 HydrophobicContact CB-CB 4.35Å; R300-E304 HydrophobicContact CB-CG 4.4Å; R300-E304 HydrophobicContact CG-CG 4.19Å; D301-E304 PolarHBondContact O-N 2.94Å; D301-E304 VanDerWaalsContact O-N 3.17Å; D301-E304 PolarHBondContact OD1-N 3.36Å; Q302-E304 PolarHBondContact O-N 2.8Å; E304-W306 PolarHBondContact O-N 3.02Å
305	E	91	Very high	91.7	Very high	56 Å²	56	29.4 Å²	29.4	26%	0.262	18%	0.181	S	C	.	.	H	α-helix	trans	-64.7	-39.6	-175.3	-171.7	178.1	-170.9	0	0	111.8	K229 D301 Q302	K229-E305 PolarHBondContact NZ-O 3.38Å; D301-E305 VanDerWaalsContact O-CB 3.26Å; D301-E305 WeakPolarHBondContact O-CB 3.2Å; D301-E305 PolarHBondContact O-N 3.25Å; Q302-E305 PolarHBondContact NE2-OE2 2.85Å
306	W	92.4	Very high	92.6	Very high	8 Å²	8	33.6 Å²	33.6	3%	0.03	20%	0.195	C	C	.	.	S	Bend	trans	-63.6	137.5	-175.7	-76	32.4	0	0	0	112.7	K229 Q302 E304 E310 F314 L333 K336 I341 Y344	K229-W306 VanDerWaalsContact NZ-C 3.3Å; K229-W306 PolarHBondContact NZ-O 3.04Å; Q302-W306 VanDerWaalsContact O-CG 3.3Å; Q302-W306 PolarHBondContact O-N 3.09Å; E304-W306 PolarHBondContact O-N 3.02Å; W306-E310 HydrophobicContact CB-CB 4.34Å; W306-E310 HydrophobicContact CD2-CB 4.37Å; W306-E310 HydrophobicContact CE3-CB 4.06Å; W306-F314 HydrophobicContact CH2-CD2 4.01Å; W306-F314 HydrophobicContact CH2-CG 4.49Å; W306-F314 HydrophobicContact CZ3-CB 3.75Å; W306-F314 AromaticContact CZ3-CD2 3.87Å; W306-F314 HydrophobicContact CZ3-CD2 3.87Å; W306-F314 AromaticContact CZ3-CG 3.89Å; W306-F314 HydrophobicContact CZ3-CG 3.89Å; W306-L333 HydrophobicContact CH2-CD1 3.59Å; W306-L333 HydrophobicContact CZ3-CD1 3.6Å; W306-K336 HydrophobicContact CZ2-CD 4.25Å; W306-K336 HydrophobicContact CZ2-CG 4.12Å; W306-I341 HydrophobicContact CH2-CG1 4.12Å; W306-I341 HydrophobicContact CZ2-CG1 4.22Å; W306-Y344 HydrophobicContact CB-CD2 4.24Å; W306-Y344 HydrophobicContact CB-CE2 3.87Å; W306-Y344 HydrophobicContact CD2-CD1 4.42Å; W306-Y344 AromaticContact CD2-CD2 3.39Å; W306-Y344 HydrophobicContact CD2-CD2 3.39Å; W306-Y344 AromaticContact CD2-CE2 3.68Å; W306-Y344 HydrophobicContact CD2-CE2 3.68Å; W306-Y344 AromaticContact CD2-CG 3.81Å; W306-Y344 HydrophobicContact CD2-CG 3.81Å; W306-Y344 AromaticContact CE2-CD2 3.74Å; W306-Y344 AromaticContact CE2-CG 3.85Å; W306-Y344 AromaticContact CE3-CD1 3.81Å; W306-Y344 HydrophobicContact CE3-CD1 3.81Å; W306-Y344 AromaticContact CE3-CD2 3.51Å; W306-Y344 HydrophobicContact CE3-CD2 3.51Å; W306-Y344 AromaticContact CE3-CE1 3.82Å; W306-Y344 HydrophobicContact CE3-CE1 3.82Å; W306-Y344 AromaticContact CE3-CE2 3.52Å; W306-Y344 HydrophobicContact CE3-CE2 3.52Å; W306-Y344 AromaticContact CE3-CG 3.66Å; W306-Y344 HydrophobicContact CE3-CG 3.66Å; W306-Y344 AromaticContact CE3-CZ 3.68Å; W306-Y344 AromaticContact CG-CD2 3.73Å; W306-Y344 HydrophobicContact CG-CD2 3.73Å; W306-Y344 AromaticContact CG-CE2 3.85Å; W306-Y344 HydrophobicContact CG-CE2 3.85Å; W306-Y344 AromaticContact CH2-CD1 3.79Å; W306-Y344 HydrophobicContact CH2-CD1 3.79Å; W306-Y344 HydrophobicContact CH2-CD2 4.28Å; W306-Y344 AromaticContact CH2-CG 3.66Å; W306-Y344 HydrophobicContact CH2-CG 3.66Å; W306-Y344 HydrophobicContact CZ2-CD1 4.42Å; W306-Y344 HydrophobicContact CZ2-CD2 4.21Å; W306-Y344 AromaticContact CZ2-CG 3.82Å; W306-Y344 HydrophobicContact CZ2-CG 3.82Å; W306-Y344 AromaticContact CZ3-CD1 3.42Å; W306-Y344 HydrophobicContact CZ3-CD1 3.42Å; W306-Y344 VanDerWaalsContact CZ3-CD1 3.42Å; W306-Y344 AromaticContact CZ3-CD2 3.93Å; W306-Y344 HydrophobicContact CZ3-CD2 3.93Å; W306-Y344 AromaticContact CZ3-CE1 3.72Å; W306-Y344 HydrophobicContact CZ3-CE1 3.72Å; W306-Y344 HydrophobicContact CZ3-CE2 4.18Å; W306-Y344 AromaticContact CZ3-CG 3.55Å; W306-Y344 HydrophobicContact CZ3-CG 3.55Å
307	S	90.8	Very high	93	Very high	41 Å²	41	32.4 Å²	32.4	29%	0.287	19%	0.187	S	C	.	.			trans	-68.5	158.4	173.5	65.8	0	0	0	0	111.2	A309 E310 A311	S307-A309 PolarHBondContact O-N 2.84Å; S307-E310 PolarHBondContact N-OE2 3.39Å; S307-E310 PolarHBondContact O-N 2.78Å; S307-E310 VanDerWaalsContact O-N 3.13Å; S307-E310 VanDerWaalsContact OG-CG 3.23Å; S307-E310 WeakPolarHBondContact OG-CG 3.36Å; S307-E310 PolarHBondContact OG-N 2.98Å; S307-E310 PolarHBondContact OG-OE2 2.95Å; S307-A311 PolarHBondContact O-N 2.97Å
308	A	88.7	Confident	93.3	Very high	75 Å²	75	32.9 Å²	32.9	62%	0.62	19%	0.189	S	C	*	.	H	α-helix	trans	-58	-32.2	174.7	0	0	0	0	0	112.4	N312	A308-N312 VanDerWaalsContact O-CG 3.27Å; A308-N312 PolarHBondContact O-N 2.8Å; A308-N312 VanDerWaalsContact O-N 3.1Å; A308-N312 PolarHBondContact O-ND2 3.13Å; A308-N312 VanDerWaalsContact O-ND2 3.17Å
309	A	92.6	Very high	93.3	Very high	64 Å²	64	38.9 Å²	38.9	53%	0.529	22%	0.217	S	C	.	.	H	α-helix	trans	-67.7	-44.5	175.9	0	0	0	0	0	112.1	S307 N312 L313	S307-A309 PolarHBondContact O-N 2.84Å; A309-N312 PolarHBondContact O-N 2.97Å; A309-L313 WeakPolarHBondContact O-CG 3.49Å; A309-L313 PolarHBondContact O-N 2.99Å
310	E	95.8	Very high	93.4	Very high	27 Å²	27	44.8 Å²	44.8	13%	0.126	24%	0.241	C	C	.	.	H	α-helix	trans	-64.9	-41.5	176.6	-70.9	166.2	136.7	0	0	111.8	W306 S307 N312 L313 F314 L333 W335 K336	W306-E310 HydrophobicContact CB-CB 4.34Å; W306-E310 HydrophobicContact CD2-CB 4.37Å; W306-E310 HydrophobicContact CE3-CB 4.06Å; S307-E310 PolarHBondContact N-OE2 3.39Å; S307-E310 PolarHBondContact O-N 2.78Å; S307-E310 VanDerWaalsContact O-N 3.13Å; S307-E310 VanDerWaalsContact OG-CG 3.23Å; S307-E310 WeakPolarHBondContact OG-CG 3.36Å; S307-E310 PolarHBondContact OG-N 2.98Å; S307-E310 PolarHBondContact OG-OE2 2.95Å; E310-N312 VanDerWaalsContact C-N 3.33Å; E310-N312 PolarHBondContact O-N 3.09Å; E310-L313 PolarHBondContact O-N 2.9Å; E310-F314 WeakPolarHBondContact O-CB 3.46Å; E310-F314 PolarHBondContact O-N 3.32Å; E310-L333 HydrophobicContact CB-CD2 4.24Å; E310-L333 HydrophobicContact CG-CD2 4.24Å; E310-W335 HydrophobicContact CG-CZ2 4.29Å; E310-W335 PolarHBondContact OE1-NE1 3.21Å; E310-K336 VanDerWaalsContact CD-CE 3.49Å; E310-K336 WeakPolarHBondContact OE1-CE 3.48Å; E310-K336 IonicContact OE1-NZ 3.25Å; E310-K336 PolarHBondContact OE1-NZ 3.34Å; E310-K336 IonicContact OE2-NZ 2.89Å
311	A	94.1	Very high	93.5	Very high	15 Å²	15	45.3 Å²	45.3	12%	0.124	24%	0.244	C	C	.	.	H	α-helix	trans	-59.4	-43.3	175.2	0	0	0	0	0	111.9	S307 F314 E315 Y344	S307-A311 PolarHBondContact O-N 2.97Å; A311-F314 WeakPolarHBondContact O-CB 3.42Å; A311-F314 PolarHBondContact O-N 3.22Å; A311-E315 PolarHBondContact O-N 2.86Å; A311-E315 VanDerWaalsContact O-N 3.13Å; A311-Y344 VanDerWaalsContact CB-OH 3.26Å; A311-Y344 WeakPolarHBondContact CB-OH 3.48Å
312	N	94.5	Very high	93.4	Very high	66 Å²	66	46.7 Å²	46.7	35%	0.353	26%	0.259	S	S	.	.	H	α-helix	trans	-67.1	-43.8	176.7	-72.1	-28.8	0	0	0	112.2	A308 A309 E310 F314 E315 E316 R353	A308-N312 VanDerWaalsContact O-CG 3.27Å; A308-N312 PolarHBondContact O-N 2.8Å; A308-N312 VanDerWaalsContact O-N 3.1Å; A308-N312 PolarHBondContact O-ND2 3.13Å; A308-N312 VanDerWaalsContact O-ND2 3.17Å; A309-N312 PolarHBondContact O-N 2.97Å; E310-N312 VanDerWaalsContact C-N 3.33Å; E310-N312 PolarHBondContact O-N 3.09Å; N312-F314 PolarHBondContact O-N 3.17Å; N312-E315 PolarHBondContact O-N 2.96Å; N312-E316 WeakPolarHBondContact O-CG 3.23Å; N312-E316 PolarHBondContact O-N 2.92Å; N312-R353 PolarHBondContact OD1-NH1 3.22Å; N312-R353 PolarHBondContact OD1-NH2 3.19Å
313	L	96.5	Very high	93.4	Very high	52 Å²	52	53.4 Å²	53.4	27%	0.272	29%	0.288	S	S	.	.	H	α-helix	trans	-57.2	-40.8	174.3	-76.4	171.9	0	0	0	111.6	A309 E310 E316 A317 F332 L333 W335	A309-L313 WeakPolarHBondContact O-CG 3.49Å; A309-L313 PolarHBondContact O-N 2.99Å; E310-L313 PolarHBondContact O-N 2.9Å; L313-E316 PolarHBondContact O-N 3.29Å; L313-A317 VanDerWaalsContact O-CB 3.28Å; L313-A317 WeakPolarHBondContact O-CB 3.35Å; L313-A317 PolarHBondContact O-N 3.48Å; L313-F332 HydrophobicContact CB-CD1 4.5Å; L313-F332 HydrophobicContact CD2-CD1 4.12Å; L313-F332 WeakPolarHBondContact O-CD1 3.48Å; L313-L333 HydrophobicContact CB-CD2 4.15Å; L313-L333 HydrophobicContact CD1-CD2 4.22Å; L313-W335 HydrophobicContact CD1-CH2 4.07Å; L313-W335 HydrophobicContact CD1-CZ2 4.21Å
314	F	97	Very high	93.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.7	-42.6	177.5	-179.6	-97	0	0	0	113.1	W306 E310 A311 N312 A317 L318 I328 L333 I341 Y344 Y345 Y348	W306-F314 HydrophobicContact CH2-CD2 4.01Å; W306-F314 HydrophobicContact CH2-CG 4.49Å; W306-F314 HydrophobicContact CZ3-CB 3.75Å; W306-F314 AromaticContact CZ3-CD2 3.87Å; W306-F314 HydrophobicContact CZ3-CD2 3.87Å; W306-F314 AromaticContact CZ3-CG 3.89Å; W306-F314 HydrophobicContact CZ3-CG 3.89Å; E310-F314 WeakPolarHBondContact O-CB 3.46Å; E310-F314 PolarHBondContact O-N 3.32Å; A311-F314 WeakPolarHBondContact O-CB 3.42Å; A311-F314 PolarHBondContact O-N 3.22Å; N312-F314 PolarHBondContact O-N 3.17Å; F314-A317 PolarHBondContact O-N 3.29Å; F314-L318 HydrophobicContact CE1-CD1 4.41Å; F314-L318 HydrophobicContact CE1-CD2 4.36Å; F314-L318 HydrophobicContact CZ-CD1 4.12Å; F314-L318 VanDerWaalsContact O-CB 3.29Å; F314-L318 WeakPolarHBondContact O-CB 3.27Å; F314-L318 PolarHBondContact O-N 2.79Å; F314-I328 HydrophobicContact CD2-CG2 4.26Å; F314-L333 HydrophobicContact CB-CD1 4.06Å; F314-L333 HydrophobicContact CD2-CD1 4.12Å; F314-I341 HydrophobicContact CD2-CG2 4.38Å; F314-I341 HydrophobicContact CE2-CG2 3.88Å; F314-Y344 HydrophobicContact CB-CE1 4.31Å; F314-Y344 AromaticContact CD1-CD1 3.81Å; F314-Y344 HydrophobicContact CD1-CD1 3.81Å; F314-Y344 AromaticContact CD1-CE1 3.48Å; F314-Y344 HydrophobicContact CD1-CE1 3.48Å; F314-Y344 VanDerWaalsContact CD1-CE1 3.48Å; F314-Y344 HydrophobicContact CD2-CD1 4.2Å; F314-Y344 AromaticContact CE1-CD1 3.86Å; F314-Y344 HydrophobicContact CE1-CD1 3.86Å; F314-Y344 AromaticContact CE1-CE1 3.87Å; F314-Y344 HydrophobicContact CE1-CE1 3.87Å; F314-Y344 HydrophobicContact CE2-CD1 4.26Å; F314-Y344 AromaticContact CG-CD1 3.98Å; F314-Y344 HydrophobicContact CG-CD1 3.98Å; F314-Y344 AromaticContact CG-CE1 3.84Å; F314-Y344 HydrophobicContact CG-CE1 3.84Å; F314-Y344 HydrophobicContact CZ-CD1 4.1Å; F314-Y345 HydrophobicContact CE1-CD2 4.5Å; F314-Y345 AromaticContact CZ-CD2 3.97Å; F314-Y345 HydrophobicContact CZ-CD2 3.97Å; F314-Y345 HydrophobicContact CZ-CG 4.37Å; F314-Y348 HydrophobicContact CD1-CD1 4.43Å; F314-Y348 AromaticContact CE1-CD1 3.8Å; F314-Y348 HydrophobicContact CE1-CD1 3.8Å; F314-Y348 HydrophobicContact CE1-CE1 4.27Å; F314-Y348 HydrophobicContact CE1-CG 4.27Å
315	E	93.7	Very high	93.8	Very high	23 Å²	23	55.2 Å²	55.2	11%	0.107	30%	0.297	C	S	.	.	H	α-helix	trans	-64.7	-42.3	177.5	-73.3	-176.7	-148.3	0	0	112.4	A311 N312 A317 L318 E319 Y348 R353	A311-E315 PolarHBondContact O-N 2.86Å; A311-E315 VanDerWaalsContact O-N 3.13Å; N312-E315 PolarHBondContact O-N 2.96Å; E315-A317 VanDerWaalsContact C-N 3.32Å; E315-A317 PolarHBondContact O-N 3.42Å; E315-L318 PolarHBondContact O-N 3.18Å; E315-E319 WeakPolarHBondContact O-CB 3.48Å; E315-E319 PolarHBondContact O-N 2.8Å; E315-Y348 HydrophobicContact CG-CE1 4.49Å; E315-Y348 HydrophobicContact CG-CE2 4.14Å; E315-Y348 WeakPolarHBondContact CG-OH 3.33Å; E315-R353 VanDerWaalsContact CD-NH2 3.3Å; E315-R353 WeakPolarHBondContact OE1-CD 3.44Å; E315-R353 IonicContact OE1-CZ 2.78Å; E315-R353 IonicContact OE1-NE 2.8Å; E315-R353 PolarHBondContact OE1-NE 3.34Å; E315-R353 IonicContact OE1-NH1 2.77Å; E315-R353 PolarHBondContact OE1-NH1 3.44Å; E315-R353 VanDerWaalsContact OE1-NH1 3.09Å; E315-R353 IonicContact OE1-NH2 3.42Å; E315-R353 PolarHBondContact OE1-NH2 2.96Å; E315-R353 IonicContact OE2-CZ 3.5Å; E315-R353 IonicContact OE2-NE 3.45Å; E315-R353 PolarHBondContact OE2-NE 3.42Å; E315-R353 IonicContact OE2-NH1 2.72Å; E315-R353 IonicContact OE2-NH2 2.7Å; E315-R353 PolarHBondContact OE2-NH2 2.78Å
316	E	94.5	Very high	94.1	Very high	111 Å²	111	56.8 Å²	56.8	52%	0.519	31%	0.307	S	S	.	.	H	α-helix	trans	-60.9	-42.9	173.5	-70	-179.6	-157	0	0	111.4	N312 L313 E319 K320 F332	N312-E316 WeakPolarHBondContact O-CG 3.23Å; N312-E316 PolarHBondContact O-N 2.92Å; L313-E316 PolarHBondContact O-N 3.29Å; E316-E319 PolarHBondContact O-N 3.43Å; E316-K320 WeakPolarHBondContact O-CB 3.47Å; E316-K320 PolarHBondContact O-N 3.05Å; E316-K320 VanDerWaalsContact O-N 3.08Å; E316-F332 HydrophobicContact CB-CD1 4.46Å; E316-F332 HydrophobicContact CB-CE1 3.79Å
317	A	96.2	Very high	94.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-65.4	-43.2	178.4	0	0	0	0	0	111.9	L313 F314 E315 E319 K320 Y321 I328 F332	L313-A317 VanDerWaalsContact O-CB 3.28Å; L313-A317 WeakPolarHBondContact O-CB 3.35Å; L313-A317 PolarHBondContact O-N 3.48Å; F314-A317 PolarHBondContact O-N 3.29Å; E315-A317 VanDerWaalsContact C-N 3.32Å; E315-A317 PolarHBondContact O-N 3.42Å; A317-E319 VanDerWaalsContact C-N 3.31Å; A317-E319 PolarHBondContact O-N 3.3Å; A317-K320 PolarHBondContact O-N 2.98Å; A317-Y321 PolarHBondContact O-N 2.64Å; A317-I328 HydrophobicContact CB-CB 4.11Å; A317-I328 HydrophobicContact CB-CD1 4.41Å; A317-I328 HydrophobicContact CB-CG1 3.75Å; A317-I328 HydrophobicContact CB-CG2 3.66Å; A317-F332 HydrophobicContact CB-CB 3.75Å; A317-F332 HydrophobicContact CB-CD1 3.77Å; A317-F332 HydrophobicContact CB-CD2 3.44Å; A317-F332 VanDerWaalsContact CB-CD2 3.44Å; A317-F332 HydrophobicContact CB-CE1 4.17Å; A317-F332 HydrophobicContact CB-CE2 3.86Å; A317-F332 HydrophobicContact CB-CG 3.38Å; A317-F332 HydrophobicContact CB-CZ 4.2Å
318	L	94.7	Very high	94.6	Very high	22 Å²	22	56.3 Å²	56.3	12%	0.115	30%	0.302	C	S	.	.	H	α-helix	trans	-65.3	-35.2	178.7	-165.1	81.3	0	0	0	111.6	F314 E315 G322 I328 Y345 Y348	F314-L318 HydrophobicContact CE1-CD1 4.41Å; F314-L318 HydrophobicContact CE1-CD2 4.36Å; F314-L318 HydrophobicContact CZ-CD1 4.12Å; F314-L318 VanDerWaalsContact O-CB 3.29Å; F314-L318 WeakPolarHBondContact O-CB 3.27Å; F314-L318 PolarHBondContact O-N 2.79Å; E315-L318 PolarHBondContact O-N 3.18Å; L318-G322 VanDerWaalsContact CD1-O 3.23Å; L318-G322 WeakPolarHBondContact CD1-O 3.45Å; L318-G322 WeakPolarHBondContact O-CA 3.32Å; L318-G322 PolarHBondContact O-N 2.77Å; L318-I328 HydrophobicContact CD1-CD1 4.23Å; L318-Y345 HydrophobicContact CD1-CD2 3.99Å; L318-Y345 HydrophobicContact CD1-CE2 3.98Å; L318-Y348 HydrophobicContact CD2-CE1 4.13Å
319	E	90.5	Very high	94.9	Very high	132 Å²	132	57.1 Å²	57.1	62%	0.617	29%	0.289	S	S	*	.	H	α-helix	trans	-69.1	-37.9	173.9	-176.6	163.2	-144.3	0	0	112.3	E315 E316 A317	E315-E319 WeakPolarHBondContact O-CB 3.48Å; E315-E319 PolarHBondContact O-N 2.8Å; E316-E319 PolarHBondContact O-N 3.43Å; A317-E319 VanDerWaalsContact C-N 3.31Å; A317-E319 PolarHBondContact O-N 3.3Å
320	K	93.6	Very high	95.1	Very high	132 Å²	132	58.9 Å²	58.9	57%	0.574	29%	0.289	S	S	*	.	H	α-helix	trans	-79.8	-44.2	-177	-169.3	-174.4	-179.9	-165.1	0	113.9	E316 A317 F332	E316-K320 WeakPolarHBondContact O-CB 3.47Å; E316-K320 PolarHBondContact O-N 3.05Å; E316-K320 VanDerWaalsContact O-N 3.08Å; A317-K320 PolarHBondContact O-N 2.98Å; K320-F332 HydrophobicContact CD-CE2 3.91Å; K320-F332 HydrophobicContact CD-CZ 3.87Å
321	Y	94.1	Very high	95.1	Very high	60 Å²	60	61.1 Å²	61.1	24%	0.235	30%	0.302	C	S	.	.	H	α-helix	trans	-109	-4.5	-173.1	-60	-39.9	0	0	0	113.7	A317 K323 D327 I328 D331 F332	A317-Y321 PolarHBondContact O-N 2.64Å; Y321-K323 PolarHBondContact O-N 3Å; Y321-D327 HydrophobicContact CD2-CB 3.88Å; Y321-D327 HydrophobicContact CE2-CB 4.25Å; Y321-D327 HydrophobicContact CG-CB 4.07Å; Y321-I328 HydrophobicContact CD2-CG1 4.26Å; Y321-D331 HydrophobicContact CE2-CB 3.9Å; Y321-D331 VanDerWaalsContact CZ-OD2 3.31Å; Y321-D331 PolarHBondContact OH-OD2 3.13Å; Y321-F332 HydrophobicContact CD2-CD2 4.31Å; Y321-F332 HydrophobicContact CD2-CE2 4.08Å; Y321-F332 AromaticContact CE2-CD2 3.86Å; Y321-F332 HydrophobicContact CE2-CD2 3.86Å; Y321-F332 AromaticContact CE2-CE2 3.53Å; Y321-F332 HydrophobicContact CE2-CE2 3.53Å
322	G	92.2	Very high	95.3	Very high	33 Å²	33	61.8 Å²	61.8	34%	0.34	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	67	-128.4	-175.2	0	0	0	0	0	110.6	L318	L318-G322 VanDerWaalsContact CD1-O 3.23Å; L318-G322 WeakPolarHBondContact CD1-O 3.45Å; L318-G322 WeakPolarHBondContact O-CA 3.32Å; L318-G322 PolarHBondContact O-N 2.77Å
323	K	94.7	Very high	95.3	Very high	144 Å²	144	58.7 Å²	58.7	63%	0.626	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	22.4	-176.8	-56.5	177	-169.4	172.9	0	113.1	Y321 F325 Y345	Y321-K323 PolarHBondContact O-N 3Å; K323-F325 HydrophobicContact CB-CE2 4.43Å; K323-F325 HydrophobicContact CB-CZ 4.3Å; K323-F325 WeakPolarHBondContact O-CD2 3.49Å; K323-F325 PolarHBondContact O-N 2.7Å; K323-F325 VanDerWaalsContact O-N 3.13Å; K323-Y345 WeakPolarHBondContact CD-OH 3.39Å; K323-Y345 WeakPolarHBondContact CE-OH 3.39Å
324	D	95.5	Very high	95.4	Very high	67 Å²	67	59.5 Å²	59.5	36%	0.358	29%	0.294	S	S	.	.			trans	-81	86.8	171.8	-164.4	-28.3	0	0	0	109.9	N326 D327 I328	D324-N326 PolarHBondContact O-N 3.1Å; D324-N326 PolarHBondContact OD1-N 2.69Å; D324-D327 HydrophobicContact CB-CB 4.21Å; D324-D327 PolarHBondContact O-N 3.4Å; D324-D327 PolarHBondContact OD1-N 3.41Å; D324-I328 VanDerWaalsContact O-CG1 3.29Å; D324-I328 WeakPolarHBondContact O-CG1 3.35Å; D324-I328 PolarHBondContact O-N 3.46Å
325	F	97.2	Very high	95.4	Very high	32 Å²	32	66.9 Å²	66.9	14%	0.14	32%	0.322	C	S	.	.	H	α-helix	trans	-67.2	-21.7	-177.2	-57.8	-63.5	0	0	0	113.3	K323 I328 R329 L338 I341 V342 Y345	K323-F325 HydrophobicContact CB-CE2 4.43Å; K323-F325 HydrophobicContact CB-CZ 4.3Å; K323-F325 WeakPolarHBondContact O-CD2 3.49Å; K323-F325 PolarHBondContact O-N 2.7Å; K323-F325 VanDerWaalsContact O-N 3.13Å; F325-I328 HydrophobicContact CD1-CD1 4.16Å; F325-R329 VanDerWaalsContact O-CB 3.32Å; F325-R329 WeakPolarHBondContact O-CB 3.48Å; F325-R329 PolarHBondContact O-N 2.77Å; F325-L338 HydrophobicContact CB-CD1 3.58Å; F325-I341 HydrophobicContact CB-CG2 4.38Å; F325-I341 HydrophobicContact CD1-CG2 3.9Å; F325-V342 HydrophobicContact CB-CG2 4.36Å; F325-V342 HydrophobicContact CD2-CG2 3.89Å; F325-V342 HydrophobicContact CE2-CG2 4.38Å; F325-V342 HydrophobicContact CG-CG2 4.07Å; F325-Y345 HydrophobicContact CE1-CD1 4.08Å; F325-Y345 AromaticContact CE1-CD2 3.92Å; F325-Y345 HydrophobicContact CE1-CD2 3.92Å; F325-Y345 AromaticContact CE1-CG 3.65Å; F325-Y345 HydrophobicContact CE1-CG 3.65Å; F325-Y345 HydrophobicContact CE2-CD1 4.43Å; F325-Y345 AromaticContact CZ-CD1 3.48Å; F325-Y345 HydrophobicContact CZ-CD1 3.48Å; F325-Y345 VanDerWaalsContact CZ-CD1 3.48Å; F325-Y345 AromaticContact CZ-CD2 3.99Å; F325-Y345 HydrophobicContact CZ-CD2 3.99Å; F325-Y345 AromaticContact CZ-CE1 3.81Å; F325-Y345 HydrophobicContact CZ-CE1 3.81Å; F325-Y345 HydrophobicContact CZ-CE2 4.3Å; F325-Y345 AromaticContact CZ-CG 3.55Å; F325-Y345 HydrophobicContact CZ-CG 3.55Å
326	N	96.7	Very high	95.5	Very high	88 Å²	88	67 Å²	67	47%	0.471	32%	0.322	S	S	.	.	H	α-helix	trans	-70.5	-46.7	175	-72.9	-54.8	0	0	0	110.4	D324 R329 N330	D324-N326 PolarHBondContact O-N 3.1Å; D324-N326 PolarHBondContact OD1-N 2.69Å; N326-R329 PolarHBondContact O-N 2.8Å; N326-N330 WeakPolarHBondContact O-CB 3.17Å; N326-N330 PolarHBondContact O-N 2.93Å; N326-N330 PolarHBondContact O-ND2 3.28Å; N326-N330 VanDerWaalsContact O-ND2 3.16Å
327	D	95.7	Very high	95.6	Very high	40 Å²	40	63.5 Å²	63.5	21%	0.214	31%	0.31	C	S	.	.	H	α-helix	trans	-66.7	-38.5	176.8	-79.9	1	0	0	0	111.9	Y321 D324 R329 N330 D331	Y321-D327 HydrophobicContact CD2-CB 3.88Å; Y321-D327 HydrophobicContact CE2-CB 4.25Å; Y321-D327 HydrophobicContact CG-CB 4.07Å; D324-D327 HydrophobicContact CB-CB 4.21Å; D324-D327 PolarHBondContact O-N 3.4Å; D324-D327 PolarHBondContact OD1-N 3.41Å; D327-R329 PolarHBondContact O-N 3.35Å; D327-N330 PolarHBondContact O-N 3.36Å; D327-D331 WeakPolarHBondContact O-CB 3.4Å; D327-D331 PolarHBondContact O-N 3.02Å
328	I	97.3	Very high	95.6	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-58.8	-47.2	172.8	-68	171.6	0	0	0	110.9	F314 A317 L318 Y321 D324 F325 F332 L333 I341	F314-I328 HydrophobicContact CD2-CG2 4.26Å; A317-I328 HydrophobicContact CB-CB 4.11Å; A317-I328 HydrophobicContact CB-CD1 4.41Å; A317-I328 HydrophobicContact CB-CG1 3.75Å; A317-I328 HydrophobicContact CB-CG2 3.66Å; L318-I328 HydrophobicContact CD1-CD1 4.23Å; Y321-I328 HydrophobicContact CD2-CG1 4.26Å; D324-I328 VanDerWaalsContact O-CG1 3.29Å; D324-I328 WeakPolarHBondContact O-CG1 3.35Å; D324-I328 PolarHBondContact O-N 3.46Å; F325-I328 HydrophobicContact CD1-CD1 4.16Å; I328-F332 WeakPolarHBondContact O-CB 3.4Å; I328-F332 PolarHBondContact O-N 3.04Å; I328-L333 PolarHBondContact O-N 3.26Å; I328-L333 VanDerWaalsContact O-N 3.14Å; I328-I341 HydrophobicContact CG2-CG2 4.38Å
329	R	96.9	Very high	95.7	Very high	92 Å²	92	72.5 Å²	72.5	35%	0.347	35%	0.351	S	S	.	.	H	α-helix	trans	-61.3	-49.8	177.6	-175.1	-179	175.2	-139.1	-5.7	111.1	F325 N326 D327 D331 L333 P334 K336 I341	F325-R329 VanDerWaalsContact O-CB 3.32Å; F325-R329 WeakPolarHBondContact O-CB 3.48Å; F325-R329 PolarHBondContact O-N 2.77Å; N326-R329 PolarHBondContact O-N 2.8Å; D327-R329 PolarHBondContact O-N 3.35Å; R329-D331 PolarHBondContact O-N 2.79Å; R329-L333 CarbonylContact O-C 3.59Å; R329-L333 PolarHBondContact O-N 2.99Å; R329-P334 WeakPolarHBondContact O-CA 3.22Å; R329-K336 PolarHBondContact NE-O 2.96Å; R329-I341 HydrophobicContact CB-CD1 3.53Å; R329-I341 HydrophobicContact CG-CD1 3.75Å
330	N	96	Very high	96.1	Very high	100 Å²	100	66.4 Å²	66.4	54%	0.535	32%	0.322	S	S	.	.	H	α-helix	trans	-64.7	-39.2	-173	-69.7	-25.4	0	0	0	113	N326 D327	N326-N330 WeakPolarHBondContact O-CB 3.17Å; N326-N330 PolarHBondContact O-N 2.93Å; N326-N330 PolarHBondContact O-ND2 3.28Å; N326-N330 VanDerWaalsContact O-ND2 3.16Å; D327-N330 PolarHBondContact O-N 3.36Å
331	D	96.6	Very high	96.2	Very high	74 Å²	74	60.1 Å²	60.1	40%	0.396	30%	0.295	S	S	.	.	H	α-helix	trans	-101.3	-29.1	-171.3	-76.7	0.6	0	0	0	114.5	Y321 D327 R329	Y321-D331 HydrophobicContact CE2-CB 3.9Å; Y321-D331 VanDerWaalsContact CZ-OD2 3.31Å; Y321-D331 PolarHBondContact OH-OD2 3.13Å; D327-D331 WeakPolarHBondContact O-CB 3.4Å; D327-D331 PolarHBondContact O-N 3.02Å; R329-D331 PolarHBondContact O-N 2.79Å
332	F	96.3	Very high	96.4	Very high	30 Å²	30	59.4 Å²	59.4	13%	0.132	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-39.2	-174	-74.4	-101.8	0	0	0	113.9	L313 E316 A317 K320 Y321 I328 P334	L313-F332 HydrophobicContact CB-CD1 4.5Å; L313-F332 HydrophobicContact CD2-CD1 4.12Å; L313-F332 WeakPolarHBondContact O-CD1 3.48Å; E316-F332 HydrophobicContact CB-CD1 4.46Å; E316-F332 HydrophobicContact CB-CE1 3.79Å; A317-F332 HydrophobicContact CB-CB 3.75Å; A317-F332 HydrophobicContact CB-CD1 3.77Å; A317-F332 HydrophobicContact CB-CD2 3.44Å; A317-F332 VanDerWaalsContact CB-CD2 3.44Å; A317-F332 HydrophobicContact CB-CE1 4.17Å; A317-F332 HydrophobicContact CB-CE2 3.86Å; A317-F332 HydrophobicContact CB-CG 3.38Å; A317-F332 HydrophobicContact CB-CZ 4.2Å; K320-F332 HydrophobicContact CD-CE2 3.91Å; K320-F332 HydrophobicContact CD-CZ 3.87Å; Y321-F332 HydrophobicContact CD2-CD2 4.31Å; Y321-F332 HydrophobicContact CD2-CE2 4.08Å; Y321-F332 AromaticContact CE2-CD2 3.86Å; Y321-F332 HydrophobicContact CE2-CD2 3.86Å; Y321-F332 AromaticContact CE2-CE2 3.53Å; Y321-F332 HydrophobicContact CE2-CE2 3.53Å; I328-F332 WeakPolarHBondContact O-CB 3.4Å; I328-F332 PolarHBondContact O-N 3.04Å; F332-P334 VanDerWaalsContact C-CD 3.46Å
333	L	96.4	Very high	96.7	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.296	C	S	.	.			trans	-131.8	59.5	-174	-65	170.9	0	0	0	112.7	W306 E310 L313 F314 I328 R329 W335 K336 I341	W306-L333 HydrophobicContact CH2-CD1 3.59Å; W306-L333 HydrophobicContact CZ3-CD1 3.6Å; E310-L333 HydrophobicContact CB-CD2 4.24Å; E310-L333 HydrophobicContact CG-CD2 4.24Å; L313-L333 HydrophobicContact CB-CD2 4.15Å; L313-L333 HydrophobicContact CD1-CD2 4.22Å; F314-L333 HydrophobicContact CB-CD1 4.06Å; F314-L333 HydrophobicContact CD2-CD1 4.12Å; I328-L333 PolarHBondContact O-N 3.26Å; I328-L333 VanDerWaalsContact O-N 3.14Å; R329-L333 CarbonylContact O-C 3.59Å; R329-L333 PolarHBondContact O-N 2.99Å; L333-W335 HydrophobicContact CD2-CZ2 3.88Å; L333-W335 PolarHBondContact O-N 3.45Å; L333-K336 HydrophobicContact CB-CB 4.27Å; L333-K336 HydrophobicContact CB-CG 4.24Å; L333-K336 PolarHBondContact O-N 3.3Å; L333-K336 VanDerWaalsContact O-N 3.1Å; L333-I341 HydrophobicContact CB-CD1 4.29Å
334	P	96.7	Very high	96.8	Very high	70 Å²	70	54.7 Å²	54.7	46%	0.455	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-23.5	-173	25.4	-34.4	0	0	0	113.6	R329 F332 K336	R329-P334 WeakPolarHBondContact O-CA 3.22Å; F332-P334 VanDerWaalsContact C-CD 3.46Å; P334-K336 VanDerWaalsContact C-N 3.33Å
335	W	97	Very high	96.9	Very high	154 Å²	154	51.9 Å²	51.9	58%	0.583	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-7.1	176.1	58.3	87.5	0	0	0	113.8	E310 L313 L333	E310-W335 HydrophobicContact CG-CZ2 4.29Å; E310-W335 PolarHBondContact OE1-NE1 3.21Å; L313-W335 HydrophobicContact CD1-CH2 4.07Å; L313-W335 HydrophobicContact CD1-CZ2 4.21Å; L333-W335 HydrophobicContact CD2-CZ2 3.88Å; L333-W335 PolarHBondContact O-N 3.45Å
336	K	96.4	Very high	96.9	Very high	25 Å²	25	57 Å²	57	11%	0.109	27%	0.272	C	S	.	.	S	Bend	trans	-94.1	142.7	173.3	-65	-66.9	-175.8	-175.5	0	110.2	W306 E310 R329 L333 P334 I341	W306-K336 HydrophobicContact CZ2-CD 4.25Å; W306-K336 HydrophobicContact CZ2-CG 4.12Å; E310-K336 VanDerWaalsContact CD-CE 3.49Å; E310-K336 WeakPolarHBondContact OE1-CE 3.48Å; E310-K336 IonicContact OE1-NZ 3.25Å; E310-K336 PolarHBondContact OE1-NZ 3.34Å; E310-K336 IonicContact OE2-NZ 2.89Å; R329-K336 PolarHBondContact NE-O 2.96Å; L333-K336 HydrophobicContact CB-CB 4.27Å; L333-K336 HydrophobicContact CB-CG 4.24Å; L333-K336 PolarHBondContact O-N 3.3Å; L333-K336 VanDerWaalsContact O-N 3.1Å; P334-K336 VanDerWaalsContact C-N 3.33Å; K336-I341 HydrophobicContact CB-CD1 4Å; K336-I341 HydrophobicContact CB-CG1 3.79Å
337	S	96.6	Very high	96.8	Very high	38 Å²	38	55 Å²	55	27%	0.266	26%	0.26	S	S	.	.			trans	-71.4	152.4	171.2	79.7	0	0	0	0	110.2	K339 N340 I341	S337-K339 PolarHBondContact O-N 2.74Å; S337-N340 PolarHBondContact O-N 3.21Å; S337-N340 WeakPolarHBondContact OG-CB 3.49Å; S337-N340 PolarHBondContact OG-N 3.28Å; S337-N340 VanDerWaalsContact OG-N 3.13Å; S337-N340 PolarHBondContact OG-OD1 2.96Å; S337-I341 WeakPolarHBondContact O-CG1 3.02Å; S337-I341 PolarHBondContact O-N 3.19Å; S337-I341 VanDerWaalsContact O-N 3.12Å
338	L	96.5	Very high	96.8	Very high	60 Å²	60	53.3 Å²	53.3	31%	0.314	25%	0.251	S	S	.	.	H	α-helix	trans	-59.5	-39	176.3	-176.2	64.9	0	0	0	111.3	F325 N340 I341 V342	F325-L338 HydrophobicContact CB-CD1 3.58Å; L338-N340 VanDerWaalsContact C-N 3.35Å; L338-N340 PolarHBondContact O-N 2.67Å; L338-I341 PolarHBondContact O-N 3.3Å; L338-V342 HydrophobicContact CD1-CG2 4.47Å; L338-V342 VanDerWaalsContact O-CG2 3.31Å; L338-V342 WeakPolarHBondContact O-CG2 3.29Å; L338-V342 PolarHBondContact O-N 3.34Å
339	K	97.6	Very high	96.7	Very high	152 Å²	152	57 Å²	57	66%	0.661	27%	0.267	S	S	*	.	H	α-helix	trans	-53.7	-50.7	175	-178.6	-171.7	173	-168.6	0	111.2	S337 I341 V342 E343	S337-K339 PolarHBondContact O-N 2.74Å; K339-I341 PolarHBondContact O-N 2.71Å; K339-V342 PolarHBondContact O-N 3.27Å; K339-E343 PolarHBondContact O-N 2.97Å
340	N	97.2	Very high	96.5	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-68.8	-35.8	-176.3	-64.7	12.7	0	0	0	112.2	T285 Q302 S337 L338 E343 Y344	T285-N340 WeakPolarHBondContact CB-ND2 3.44Å; T285-N340 PolarHBondContact OG1-ND2 2.8Å; Q302-N340 HydrophobicContact CG-CB 4.11Å; S337-N340 PolarHBondContact O-N 3.21Å; S337-N340 WeakPolarHBondContact OG-CB 3.49Å; S337-N340 PolarHBondContact OG-N 3.28Å; S337-N340 VanDerWaalsContact OG-N 3.13Å; S337-N340 PolarHBondContact OG-OD1 2.96Å; L338-N340 VanDerWaalsContact C-N 3.35Å; L338-N340 PolarHBondContact O-N 2.67Å; N340-E343 PolarHBondContact O-N 3.22Å; N340-Y344 VanDerWaalsContact O-CB 3.32Å; N340-Y344 WeakPolarHBondContact O-CB 3.38Å; N340-Y344 PolarHBondContact O-N 3.29Å
341	I	97.8	Very high	96.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-43.4	175.3	-66.2	169	0	0	0	110.6	W306 F314 F325 I328 R329 L333 K336 S337 L338 K339 Y344 Y345	W306-I341 HydrophobicContact CH2-CG1 4.12Å; W306-I341 HydrophobicContact CZ2-CG1 4.22Å; F314-I341 HydrophobicContact CD2-CG2 4.38Å; F314-I341 HydrophobicContact CE2-CG2 3.88Å; F325-I341 HydrophobicContact CB-CG2 4.38Å; F325-I341 HydrophobicContact CD1-CG2 3.9Å; I328-I341 HydrophobicContact CG2-CG2 4.38Å; R329-I341 HydrophobicContact CB-CD1 3.53Å; R329-I341 HydrophobicContact CG-CD1 3.75Å; L333-I341 HydrophobicContact CB-CD1 4.29Å; K336-I341 HydrophobicContact CB-CD1 4Å; K336-I341 HydrophobicContact CB-CG1 3.79Å; S337-I341 WeakPolarHBondContact O-CG1 3.02Å; S337-I341 PolarHBondContact O-N 3.19Å; S337-I341 VanDerWaalsContact O-N 3.12Å; L338-I341 PolarHBondContact O-N 3.3Å; K339-I341 PolarHBondContact O-N 2.71Å; I341-Y344 PolarHBondContact O-N 3.33Å; I341-Y345 WeakPolarHBondContact O-CB 3.4Å; I341-Y345 PolarHBondContact O-N 3.01Å
342	V	97.7	Very high	96	Very high	45 Å²	45	56.8 Å²	56.8	27%	0.273	28%	0.278	S	S	.	.	H	α-helix	trans	-66.5	-43	178.4	173.7	0	0	0	0	110.8	F325 L338 K339 Y345 Y346	F325-V342 HydrophobicContact CB-CG2 4.36Å; F325-V342 HydrophobicContact CD2-CG2 3.89Å; F325-V342 HydrophobicContact CE2-CG2 4.38Å; F325-V342 HydrophobicContact CG-CG2 4.07Å; L338-V342 HydrophobicContact CD1-CG2 4.47Å; L338-V342 VanDerWaalsContact O-CG2 3.31Å; L338-V342 WeakPolarHBondContact O-CG2 3.29Å; L338-V342 PolarHBondContact O-N 3.34Å; K339-V342 PolarHBondContact O-N 3.27Å; V342-Y345 WeakPolarHBondContact O-CB 3.37Å; V342-Y345 PolarHBondContact O-N 2.96Å; V342-Y346 HydrophobicContact CG1-CD2 3.94Å; V342-Y346 HydrophobicContact CG1-CE2 3.69Å; V342-Y346 WeakPolarHBondContact O-CD2 3.43Å; V342-Y346 PolarHBondContact O-N 2.9Å
343	E	97.3	Very high	95.6	Very high	69 Å²	69	61.3 Å²	61.3	32%	0.322	29%	0.294	S	S	.	.	H	α-helix	trans	-59.5	-50.5	174.5	-172.7	-178.4	140.9	0	0	111.5	Q302 K339 N340 Y345 Y346 M347	Q302-E343 HydrophobicContact CB-CG 4.45Å; Q302-E343 HydrophobicContact CG-CB 4.13Å; Q302-E343 HydrophobicContact CG-CG 4.09Å; Q302-E343 WeakPolarHBondContact CG-OE1 3.41Å; K339-E343 PolarHBondContact O-N 2.97Å; N340-E343 PolarHBondContact O-N 3.22Å; E343-Y345 VanDerWaalsContact C-N 3.31Å; E343-Y345 PolarHBondContact O-N 2.91Å; E343-Y346 PolarHBondContact O-N 3.45Å; E343-M347 PolarHBondContact O-N 3.1Å
344	Y	97.6	Very high	95.4	Very high	10 Å²	10	63.1 Å²	63.1	4%	0.039	30%	0.301	C	S	.	.	H	α-helix	trans	-55.1	-45.5	175.3	-177.1	-90.9	0	0	0	111.7	Q302 L303 W306 A311 F314 N340 I341 Y346 M347 Y348	Q302-Y344 HydrophobicContact CB-CD2 4.37Å; Q302-Y344 WeakPolarHBondContact O-CD2 3.49Å; L303-Y344 HydrophobicContact CD1-CE2 3.98Å; W306-Y344 HydrophobicContact CB-CD2 4.24Å; W306-Y344 HydrophobicContact CB-CE2 3.87Å; W306-Y344 HydrophobicContact CD2-CD1 4.42Å; W306-Y344 AromaticContact CD2-CD2 3.39Å; W306-Y344 HydrophobicContact CD2-CD2 3.39Å; W306-Y344 AromaticContact CD2-CE2 3.68Å; W306-Y344 HydrophobicContact CD2-CE2 3.68Å; W306-Y344 AromaticContact CD2-CG 3.81Å; W306-Y344 HydrophobicContact CD2-CG 3.81Å; W306-Y344 AromaticContact CE2-CD2 3.74Å; W306-Y344 AromaticContact CE2-CG 3.85Å; W306-Y344 AromaticContact CE3-CD1 3.81Å; W306-Y344 HydrophobicContact CE3-CD1 3.81Å; W306-Y344 AromaticContact CE3-CD2 3.51Å; W306-Y344 HydrophobicContact CE3-CD2 3.51Å; W306-Y344 AromaticContact CE3-CE1 3.82Å; W306-Y344 HydrophobicContact CE3-CE1 3.82Å; W306-Y344 AromaticContact CE3-CE2 3.52Å; W306-Y344 HydrophobicContact CE3-CE2 3.52Å; W306-Y344 AromaticContact CE3-CG 3.66Å; W306-Y344 HydrophobicContact CE3-CG 3.66Å; W306-Y344 AromaticContact CE3-CZ 3.68Å; W306-Y344 AromaticContact CG-CD2 3.73Å; W306-Y344 HydrophobicContact CG-CD2 3.73Å; W306-Y344 AromaticContact CG-CE2 3.85Å; W306-Y344 HydrophobicContact CG-CE2 3.85Å; W306-Y344 AromaticContact CH2-CD1 3.79Å; W306-Y344 HydrophobicContact CH2-CD1 3.79Å; W306-Y344 HydrophobicContact CH2-CD2 4.28Å; W306-Y344 AromaticContact CH2-CG 3.66Å; W306-Y344 HydrophobicContact CH2-CG 3.66Å; W306-Y344 HydrophobicContact CZ2-CD1 4.42Å; W306-Y344 HydrophobicContact CZ2-CD2 4.21Å; W306-Y344 AromaticContact CZ2-CG 3.82Å; W306-Y344 HydrophobicContact CZ2-CG 3.82Å; W306-Y344 AromaticContact CZ3-CD1 3.42Å; W306-Y344 HydrophobicContact CZ3-CD1 3.42Å; W306-Y344 VanDerWaalsContact CZ3-CD1 3.42Å; W306-Y344 AromaticContact CZ3-CD2 3.93Å; W306-Y344 HydrophobicContact CZ3-CD2 3.93Å; W306-Y344 AromaticContact CZ3-CE1 3.72Å; W306-Y344 HydrophobicContact CZ3-CE1 3.72Å; W306-Y344 HydrophobicContact CZ3-CE2 4.18Å; W306-Y344 AromaticContact CZ3-CG 3.55Å; W306-Y344 HydrophobicContact CZ3-CG 3.55Å; A311-Y344 VanDerWaalsContact CB-OH 3.26Å; A311-Y344 WeakPolarHBondContact CB-OH 3.48Å; F314-Y344 HydrophobicContact CB-CE1 4.31Å; F314-Y344 AromaticContact CD1-CD1 3.81Å; F314-Y344 HydrophobicContact CD1-CD1 3.81Å; F314-Y344 AromaticContact CD1-CE1 3.48Å; F314-Y344 HydrophobicContact CD1-CE1 3.48Å; F314-Y344 VanDerWaalsContact CD1-CE1 3.48Å; F314-Y344 HydrophobicContact CD2-CD1 4.2Å; F314-Y344 AromaticContact CE1-CD1 3.86Å; F314-Y344 HydrophobicContact CE1-CD1 3.86Å; F314-Y344 AromaticContact CE1-CE1 3.87Å; F314-Y344 HydrophobicContact CE1-CE1 3.87Å; F314-Y344 HydrophobicContact CE2-CD1 4.26Å; F314-Y344 AromaticContact CG-CD1 3.98Å; F314-Y344 HydrophobicContact CG-CD1 3.98Å; F314-Y344 AromaticContact CG-CE1 3.84Å; F314-Y344 HydrophobicContact CG-CE1 3.84Å; F314-Y344 HydrophobicContact CZ-CD1 4.1Å; N340-Y344 VanDerWaalsContact O-CB 3.32Å; N340-Y344 WeakPolarHBondContact O-CB 3.38Å; N340-Y344 PolarHBondContact O-N 3.29Å; I341-Y344 PolarHBondContact O-N 3.33Å; Y344-Y346 PolarHBondContact O-N 3.14Å; Y344-M347 PolarHBondContact O-N 3.49Å; Y344-Y348 HydrophobicContact CE1-CD2 4.34Å; Y344-Y348 HydrophobicContact CE1-CG 4.17Å; Y344-Y348 WeakPolarHBondContact O-CB 3.5Å; Y344-Y348 PolarHBondContact O-N 3.16Å
345	Y	97.4	Very high	95.1	Very high	8 Å²	8	62.1 Å²	62.1	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-56.9	-46.4	179.8	168.4	-105.8	0	0	0	112.6	F314 L318 K323 F325 I341 V342 E343 M347 Y348 K349	F314-Y345 HydrophobicContact CE1-CD2 4.5Å; F314-Y345 AromaticContact CZ-CD2 3.97Å; F314-Y345 HydrophobicContact CZ-CD2 3.97Å; F314-Y345 HydrophobicContact CZ-CG 4.37Å; L318-Y345 HydrophobicContact CD1-CD2 3.99Å; L318-Y345 HydrophobicContact CD1-CE2 3.98Å; K323-Y345 WeakPolarHBondContact CD-OH 3.39Å; K323-Y345 WeakPolarHBondContact CE-OH 3.39Å; F325-Y345 HydrophobicContact CE1-CD1 4.08Å; F325-Y345 AromaticContact CE1-CD2 3.92Å; F325-Y345 HydrophobicContact CE1-CD2 3.92Å; F325-Y345 AromaticContact CE1-CG 3.65Å; F325-Y345 HydrophobicContact CE1-CG 3.65Å; F325-Y345 HydrophobicContact CE2-CD1 4.43Å; F325-Y345 AromaticContact CZ-CD1 3.48Å; F325-Y345 HydrophobicContact CZ-CD1 3.48Å; F325-Y345 VanDerWaalsContact CZ-CD1 3.48Å; F325-Y345 AromaticContact CZ-CD2 3.99Å; F325-Y345 HydrophobicContact CZ-CD2 3.99Å; F325-Y345 AromaticContact CZ-CE1 3.81Å; F325-Y345 HydrophobicContact CZ-CE1 3.81Å; F325-Y345 HydrophobicContact CZ-CE2 4.3Å; F325-Y345 AromaticContact CZ-CG 3.55Å; F325-Y345 HydrophobicContact CZ-CG 3.55Å; I341-Y345 WeakPolarHBondContact O-CB 3.4Å; I341-Y345 PolarHBondContact O-N 3.01Å; V342-Y345 WeakPolarHBondContact O-CB 3.37Å; V342-Y345 PolarHBondContact O-N 2.96Å; E343-Y345 VanDerWaalsContact C-N 3.31Å; E343-Y345 PolarHBondContact O-N 2.91Å; Y345-M347 VanDerWaalsContact C-N 3.34Å; Y345-Y348 PolarHBondContact O-N 3.39Å; Y345-K349 HydrophobicContact CD1-CD 4.29Å; Y345-K349 HydrophobicContact CE1-CD 3.7Å; Y345-K349 HydrophobicContact CE1-CG 4.49Å; Y345-K349 HydrophobicContact CE2-CD 4.13Å; Y345-K349 HydrophobicContact CE2-CG 4.14Å; Y345-K349 WeakPolarHBondContact O-CG 3.45Å; Y345-K349 PolarHBondContact O-N 2.8Å; Y345-K349 VanDerWaalsContact O-N 3.08Å
346	Y	97.3	Very high	94.9	Very high	139 Å²	139	60.8 Å²	60.8	55%	0.545	29%	0.294	S	S	.	.	H	α-helix	trans	-69.2	-33.8	-178	-77.4	-69.1	0	0	0	112.5	V342 E343 Y344 K349	V342-Y346 HydrophobicContact CG1-CD2 3.94Å; V342-Y346 HydrophobicContact CG1-CE2 3.69Å; V342-Y346 WeakPolarHBondContact O-CD2 3.43Å; V342-Y346 PolarHBondContact O-N 2.9Å; E343-Y346 PolarHBondContact O-N 3.45Å; Y344-Y346 PolarHBondContact O-N 3.14Å; Y346-K349 HydrophobicContact CD1-CD 4.29Å
347	M	95.3	Very high	94.4	Very high	47 Å²	47	62.2 Å²	62.2	23%	0.232	30%	0.301	C	S	.	.	H	α-helix	trans	-71.7	-42.7	171.8	-65.3	-170.9	149.4	0	0	112.2	R242 D301 L303 E343 Y344 Y345 K349 T350	R242-M347 VanDerWaalsContact NH2-CE 3.28Å; R242-M347 PolarHBondContact NH2-SD 3.12Å; D301-M347 HydrophobicContact CB-CE 3.62Å; D301-M347 HydrophobicContact CB-SD 3.68Å; D301-M347 WeakPolarHBondContact OD2-CE 3.18Å; L303-M347 HydrophobicContact CB-CB 3.88Å; L303-M347 HydrophobicContact CB-SD 3.95Å; L303-M347 HydrophobicContact CD1-CB 4.44Å; L303-M347 HydrophobicContact CD2-CB 4.2Å; L303-M347 HydrophobicContact CG-CB 4.4Å; E343-M347 PolarHBondContact O-N 3.1Å; Y344-M347 PolarHBondContact O-N 3.49Å; Y345-M347 VanDerWaalsContact C-N 3.34Å; M347-K349 PolarHBondContact O-N 3.07Å; M347-T350 PolarHBondContact O-N 3.29Å; M347-T350 VanDerWaalsContact O-N 3.09Å; M347-T350 PolarHBondContact O-OG1 3.44Å
348	Y	95.3	Very high	94.1	Very high	4 Å²	4	66.7 Å²	66.7	2%	0.016	32%	0.316	C	S	.	.	H	α-helix	trans	-58.2	-34.8	177.9	171.2	-109.5	0	0	0	112.3	F314 E315 L318 Y344 Y345 T350 T351 Y354	F314-Y348 HydrophobicContact CD1-CD1 4.43Å; F314-Y348 AromaticContact CE1-CD1 3.8Å; F314-Y348 HydrophobicContact CE1-CD1 3.8Å; F314-Y348 HydrophobicContact CE1-CE1 4.27Å; F314-Y348 HydrophobicContact CE1-CG 4.27Å; E315-Y348 HydrophobicContact CG-CE1 4.49Å; E315-Y348 HydrophobicContact CG-CE2 4.14Å; E315-Y348 WeakPolarHBondContact CG-OH 3.33Å; L318-Y348 HydrophobicContact CD2-CE1 4.13Å; Y344-Y348 HydrophobicContact CE1-CD2 4.34Å; Y344-Y348 HydrophobicContact CE1-CG 4.17Å; Y344-Y348 WeakPolarHBondContact O-CB 3.5Å; Y344-Y348 PolarHBondContact O-N 3.16Å; Y345-Y348 PolarHBondContact O-N 3.39Å; Y348-T350 PolarHBondContact O-N 2.91Å; Y348-T350 VanDerWaalsContact O-N 3.07Å; Y348-T351 HydrophobicContact CD2-CG2 4.24Å; Y348-T351 WeakPolarHBondContact O-CB 3.26Å; Y348-T351 WeakPolarHBondContact O-CG2 3.28Å; Y348-T351 PolarHBondContact O-N 3.3Å; Y348-T351 PolarHBondContact O-OG1 3.02Å; Y348-Y354 HydrophobicContact CD1-CD2 4.04Å; Y348-Y354 AromaticContact CE1-CD2 3.56Å; Y348-Y354 HydrophobicContact CE1-CD2 3.56Å; Y348-Y354 HydrophobicContact CE1-CE2 4.49Å; Y348-Y354 HydrophobicContact CE1-CG 4.22Å; Y348-Y354 WeakPolarHBondContact O-CB 3.07Å
349	K	94.9	Very high	93.8	Very high	77 Å²	77	72.5 Å²	72.5	34%	0.335	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.2	176.8	-79.5	176.2	71.8	-149.8	0	114.8	Y345 Y346 M347 Y354	Y345-K349 HydrophobicContact CD1-CD 4.29Å; Y345-K349 HydrophobicContact CE1-CD 3.7Å; Y345-K349 HydrophobicContact CE1-CG 4.49Å; Y345-K349 HydrophobicContact CE2-CD 4.13Å; Y345-K349 HydrophobicContact CE2-CG 4.14Å; Y345-K349 WeakPolarHBondContact O-CG 3.45Å; Y345-K349 PolarHBondContact O-N 2.8Å; Y345-K349 VanDerWaalsContact O-N 3.08Å; Y346-K349 HydrophobicContact CD1-CD 4.29Å; M347-K349 PolarHBondContact O-N 3.07Å; K349-Y354 HydrophobicContact CB-CD1 4.17Å; K349-Y354 HydrophobicContact CB-CE1 4.07Å; K349-Y354 HydrophobicContact CG-CD1 4.34Å; K349-Y354 HydrophobicContact CG-CE1 3.91Å; K349-Y354 HydrophobicContact CG-CE2 4.13Å; K349-Y354 WeakPolarHBondContact O-CD1 3.08Å
350	T	93	Very high	93.4	Very high	105 Å²	105	68.1 Å²	68.1	64%	0.644	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-4.8	177.6	70.7	0	0	0	0	112.7	M347 Y348	M347-T350 PolarHBondContact O-N 3.29Å; M347-T350 VanDerWaalsContact O-N 3.09Å; M347-T350 PolarHBondContact O-OG1 3.44Å; Y348-T350 PolarHBondContact O-N 2.91Å; Y348-T350 VanDerWaalsContact O-N 3.07Å
351	T	91.8	Very high	92.9	Very high	33 Å²	33	72.7 Å²	72.7	20%	0.202	35%	0.345	C	S	.	.	S	Bend	trans	-72.2	146.9	178.9	66	0	0	0	0	111.4	L303 Y348 R353 Y354 V355	L303-T351 HydrophobicContact CD1-CG2 4.04Å; L303-T351 HydrophobicContact CD2-CG2 4.34Å; Y348-T351 HydrophobicContact CD2-CG2 4.24Å; Y348-T351 WeakPolarHBondContact O-CB 3.26Å; Y348-T351 WeakPolarHBondContact O-CG2 3.28Å; Y348-T351 PolarHBondContact O-N 3.3Å; Y348-T351 PolarHBondContact O-OG1 3.02Å; T351-R353 PolarHBondContact O-N 2.99Å; T351-Y354 PolarHBondContact O-N 3.37Å; T351-Y354 VanDerWaalsContact O-N 3.16Å; T351-Y354 PolarHBondContact OG1-N 3.07Å; T351-V355 WeakPolarHBondContact O-CG2 3.29Å; T351-V355 PolarHBondContact O-N 3.47Å; T351-V355 VanDerWaalsContact O-N 3.1Å
352	D	90.3	Very high	92.3	Very high	123 Å²	123	75.4 Å²	75.4	66%	0.658	37%	0.368	S	S	*	.	H	α-helix	trans	-56.3	-36.7	175	-75	-46.2	0	0	0	112	Y354 V355 Q356	D352-Y354 PolarHBondContact O-N 3.2Å; D352-V355 PolarHBondContact O-N 2.9Å; D352-Q356 WeakPolarHBondContact O-CB 3.3Å; D352-Q356 VanDerWaalsContact O-CG 3.22Å; D352-Q356 WeakPolarHBondContact O-CG 3.32Å; D352-Q356 PolarHBondContact O-N 3.29Å
353	R	87.5	Confident	91.8	Very high	125 Å²	125	76 Å²	76	47%	0.472	38%	0.378	S	S	.	.	H	α-helix	trans	-58.4	-48.3	177.6	-170.1	171.5	178.6	-179.7	-2.7	111.5	N312 E315 T351 Q357	N312-R353 PolarHBondContact OD1-NH1 3.22Å; N312-R353 PolarHBondContact OD1-NH2 3.19Å; E315-R353 VanDerWaalsContact CD-NH2 3.3Å; E315-R353 WeakPolarHBondContact OE1-CD 3.44Å; E315-R353 IonicContact OE1-CZ 2.78Å; E315-R353 IonicContact OE1-NE 2.8Å; E315-R353 PolarHBondContact OE1-NE 3.34Å; E315-R353 IonicContact OE1-NH1 2.77Å; E315-R353 PolarHBondContact OE1-NH1 3.44Å; E315-R353 VanDerWaalsContact OE1-NH1 3.09Å; E315-R353 IonicContact OE1-NH2 3.42Å; E315-R353 PolarHBondContact OE1-NH2 2.96Å; E315-R353 IonicContact OE2-CZ 3.5Å; E315-R353 IonicContact OE2-NE 3.45Å; E315-R353 PolarHBondContact OE2-NE 3.42Å; E315-R353 IonicContact OE2-NH1 2.72Å; E315-R353 IonicContact OE2-NH2 2.7Å; E315-R353 PolarHBondContact OE2-NH2 2.78Å; T351-R353 PolarHBondContact O-N 2.99Å; R353-Q357 WeakPolarHBondContact O-CB 3.39Å; R353-Q357 PolarHBondContact O-N 3.34Å
354	Y	91.9	Very high	91.2	Very high	39 Å²	39	77.8 Å²	77.8	15%	0.153	39%	0.386	C	S	.	.	H	α-helix	trans	-64	-44.3	176	178.4	-95.8	0	0	0	112.3	Y348 K349 T351 D352 Q356 Q357 K358	Y348-Y354 HydrophobicContact CD1-CD2 4.04Å; Y348-Y354 AromaticContact CE1-CD2 3.56Å; Y348-Y354 HydrophobicContact CE1-CD2 3.56Å; Y348-Y354 HydrophobicContact CE1-CE2 4.49Å; Y348-Y354 HydrophobicContact CE1-CG 4.22Å; Y348-Y354 WeakPolarHBondContact O-CB 3.07Å; K349-Y354 HydrophobicContact CB-CD1 4.17Å; K349-Y354 HydrophobicContact CB-CE1 4.07Å; K349-Y354 HydrophobicContact CG-CD1 4.34Å; K349-Y354 HydrophobicContact CG-CE1 3.91Å; K349-Y354 HydrophobicContact CG-CE2 4.13Å; K349-Y354 WeakPolarHBondContact O-CD1 3.08Å; T351-Y354 PolarHBondContact O-N 3.37Å; T351-Y354 VanDerWaalsContact O-N 3.16Å; T351-Y354 PolarHBondContact OG1-N 3.07Å; D352-Y354 PolarHBondContact O-N 3.2Å; Y354-Q356 PolarHBondContact O-N 3.39Å; Y354-Q357 PolarHBondContact O-N 3.49Å; Y354-K358 HydrophobicContact CE1-CD 4.23Å; Y354-K358 WeakPolarHBondContact O-CB 3.36Å; Y354-K358 PolarHBondContact O-N 3.47Å
355	V	91.9	Very high	90.2	Very high	48 Å²	48	79.7 Å²	79.7	29%	0.291	40%	0.404	S	S	.	.	H	α-helix	trans	-62.4	-44.8	-179.5	175.2	0	0	0	0	110.9	T351 D352 K358 R359	T351-V355 WeakPolarHBondContact O-CG2 3.29Å; T351-V355 PolarHBondContact O-N 3.47Å; T351-V355 VanDerWaalsContact O-N 3.1Å; D352-V355 PolarHBondContact O-N 2.9Å; V355-K358 PolarHBondContact O-N 2.97Å; V355-R359 WeakPolarHBondContact O-CG 3.44Å; V355-R359 PolarHBondContact O-N 3.36Å
356	Q	90.9	Very high	89.3	Confident	127 Å²	127	86 Å²	86	59%	0.593	43%	0.434	S	S	*	.	H	α-helix	trans	-62.2	-45.7	175.7	-72.1	175.7	22	0	0	111.4	D352 Y354 K358 R359 A360	D352-Q356 WeakPolarHBondContact O-CB 3.3Å; D352-Q356 VanDerWaalsContact O-CG 3.22Å; D352-Q356 WeakPolarHBondContact O-CG 3.32Å; D352-Q356 PolarHBondContact O-N 3.29Å; Y354-Q356 PolarHBondContact O-N 3.39Å; Q356-K358 VanDerWaalsContact C-N 3.32Å; Q356-K358 PolarHBondContact O-N 3.23Å; Q356-R359 PolarHBondContact O-N 2.71Å; Q356-A360 WeakPolarHBondContact O-CB 3.19Å; Q356-A360 PolarHBondContact O-N 3.34Å
357	Q	87.8	Confident	88.2	Confident	54 Å²	54	83.9 Å²	83.9	25%	0.252	44%	0.439	S	S	.	.	H	α-helix	trans	-60.5	-41.7	177.2	-166.4	-174.5	40.1	0	0	111.8	R353 Y354 A360 K361	R353-Q357 WeakPolarHBondContact O-CB 3.39Å; R353-Q357 PolarHBondContact O-N 3.34Å; Y354-Q357 PolarHBondContact O-N 3.49Å; Q357-A360 PolarHBondContact O-N 3.41Å; Q357-K361 HydrophobicContact CG-CD 4.5Å; Q357-K361 WeakPolarHBondContact O-CB 3.45Å; Q357-K361 WeakPolarHBondContact O-CG 3.27Å; Q357-K361 PolarHBondContact O-N 3.43Å
358	K	89.3	Confident	87.5	Confident	133 Å²	133	86.7 Å²	86.7	58%	0.578	45%	0.447	S	S	*	.	H	α-helix	trans	-66.4	-40.7	176.8	-170.1	-179.6	178.4	-173.7	0	112	Y354 V355 Q356 K361 A362	Y354-K358 HydrophobicContact CE1-CD 4.23Å; Y354-K358 WeakPolarHBondContact O-CB 3.36Å; Y354-K358 PolarHBondContact O-N 3.47Å; V355-K358 PolarHBondContact O-N 2.97Å; Q356-K358 VanDerWaalsContact C-N 3.32Å; Q356-K358 PolarHBondContact O-N 3.23Å; K358-K361 PolarHBondContact O-N 3.48Å; K358-A362 WeakPolarHBondContact O-CB 3.46Å; K358-A362 PolarHBondContact O-N 3.31Å
359	R	91	Very high	86.8	Confident	181 Å²	181	89.1 Å²	89.1	68%	0.683	46%	0.46	S	S	*	.	H	α-helix	trans	-63.1	-43.9	174.5	-74.6	177	-177.8	175.9	3.2	111.5	V355 Q356 A362 A363	V355-R359 WeakPolarHBondContact O-CG 3.44Å; V355-R359 PolarHBondContact O-N 3.36Å; Q356-R359 PolarHBondContact O-N 2.71Å; R359-A362 PolarHBondContact O-N 3.04Å; R359-A363 WeakPolarHBondContact O-CB 3.33Å; R359-A363 PolarHBondContact O-N 2.71Å
360	A	89.1	Confident	86.4	Confident	61 Å²	61	91.7 Å²	91.7	50%	0.504	47%	0.472	S	S	.	.	H	α-helix	trans	-61.8	-47.2	176.3	0	0	0	0	0	111.9	Q356 Q357 A362 A363 E364	Q356-A360 WeakPolarHBondContact O-CB 3.19Å; Q356-A360 PolarHBondContact O-N 3.34Å; Q357-A360 PolarHBondContact O-N 3.41Å; A360-A362 VanDerWaalsContact C-N 3.33Å; A360-A362 PolarHBondContact O-N 3.31Å; A360-A363 PolarHBondContact O-N 2.84Å; A360-E364 WeakPolarHBondContact O-CB 3.23Å; A360-E364 PolarHBondContact O-N 3.35Å
361	K	86.2	Confident	86.2	Confident	98 Å²	98	90.8 Å²	90.8	43%	0.426	46%	0.46	S	S	.	.	H	α-helix	trans	-62.4	-37.5	175.5	-74.3	179.7	176.8	178.9	0	112.6	Q357 K358 A365	Q357-K361 HydrophobicContact CG-CD 4.5Å; Q357-K361 WeakPolarHBondContact O-CB 3.45Å; Q357-K361 WeakPolarHBondContact O-CG 3.27Å; Q357-K361 PolarHBondContact O-N 3.43Å; K358-K361 PolarHBondContact O-N 3.48Å; K361-A365 WeakPolarHBondContact O-CB 3.34Å; K361-A365 PolarHBondContact O-N 3.06Å
362	A	85.3	Confident	86.1	Confident	57 Å²	57	90 Å²	90	47%	0.471	46%	0.455	S	S	.	.	H	α-helix	trans	-67.7	-43.2	175.6	0	0	0	0	0	112	K358 R359 A360 A365 E366	K358-A362 WeakPolarHBondContact O-CB 3.46Å; K358-A362 PolarHBondContact O-N 3.31Å; R359-A362 PolarHBondContact O-N 3.04Å; A360-A362 VanDerWaalsContact C-N 3.33Å; A360-A362 PolarHBondContact O-N 3.31Å; A362-A365 PolarHBondContact O-N 2.91Å; A362-E366 WeakPolarHBondContact O-CB 3.45Å; A362-E366 PolarHBondContact O-N 3.18Å
363	A	87.1	Confident	86	Confident	59 Å²	59	90 Å²	90	49%	0.488	45%	0.447	S	S	.	.	H	α-helix	trans	-62.8	-41.9	175.5	0	0	0	0	0	111.8	R359 A360 E366 S367	R359-A363 WeakPolarHBondContact O-CB 3.33Å; R359-A363 PolarHBondContact O-N 2.71Å; A360-A363 PolarHBondContact O-N 2.84Å; A363-E366 PolarHBondContact O-N 3.2Å; A363-S367 PolarHBondContact O-N 2.78Å; A363-S367 VanDerWaalsContact O-N 3.13Å
364	E	83.8	Confident	86	Confident	105 Å²	105	84.8 Å²	84.8	49%	0.491	43%	0.428	S	S	.	.	H	α-helix	trans	-61.9	-45.9	173.6	-166.7	-159.2	135.8	0	0	111.1	A360 E366 S367 R368	A360-E364 WeakPolarHBondContact O-CB 3.23Å; A360-E364 PolarHBondContact O-N 3.35Å; E364-E366 VanDerWaalsContact C-N 3.31Å; E364-E366 PolarHBondContact O-N 3.39Å; E364-S367 PolarHBondContact O-N 3.46Å; E364-S367 PolarHBondContact O-OG 2.65Å; E364-R368 IonicContact OE1-CZ 3.42Å; E364-R368 IonicContact OE1-NE 3.09Å; E364-R368 IonicContact OE1-NH2 2.87Å; E364-R368 PolarHBondContact OE1-NH2 3.05Å
365	A	78.1	Confident	85.6	Confident	51 Å²	51	87.1 Å²	87.1	42%	0.421	45%	0.448	S	S	.	.	H	α-helix	trans	-64.8	-33.3	177.9	0	0	0	0	0	113	K361 A362 S367 R368	K361-A365 WeakPolarHBondContact O-CB 3.34Å; K361-A365 PolarHBondContact O-N 3.06Å; A362-A365 PolarHBondContact O-N 2.91Å; A365-S367 VanDerWaalsContact C-N 3.31Å; A365-R368 WeakPolarHBondContact O-CB 3.5Å; A365-R368 PolarHBondContact O-N 3.41Å
366	E	77.7	Confident	84.9	Confident	139 Å²	139	89.5 Å²	89.5	65%	0.65	46%	0.462	S	S	*	.	H	α-helix	trans	-70.2	-28.6	176	-172.9	161.4	-147.8	0	0	112.7	A362 A363 E364 R368	A362-E366 WeakPolarHBondContact O-CB 3.45Å; A362-E366 PolarHBondContact O-N 3.18Å; A363-E366 PolarHBondContact O-N 3.2Å; E364-E366 VanDerWaalsContact C-N 3.31Å; E364-E366 PolarHBondContact O-N 3.39Å; E366-R368 VanDerWaalsContact C-N 3.26Å; E366-R368 PolarHBondContact O-N 2.8Å
367	S	74.8	Confident	83.8	Confident	95 Å²	95	88.8 Å²	88.8	66%	0.664	46%	0.455	S	S	*	.	H	α-helix	trans	-72.7	-14.2	174.6	78	0	0	0	0	114.2	A363 E364 A365	A363-S367 PolarHBondContact O-N 2.78Å; A363-S367 VanDerWaalsContact O-N 3.13Å; E364-S367 PolarHBondContact O-N 3.46Å; E364-S367 PolarHBondContact O-OG 2.65Å; A365-S367 VanDerWaalsContact C-N 3.31Å
368	R	79.1	Confident	82.8	Confident	107 Å²	107	92.3 Å²	92.3	40%	0.404	48%	0.48	S	S	.	.	S	Bend	trans	-74.3	147	180	-62	-177.8	-174.1	-173.4	5.9	111.3	E33 E364 A365 E366 K370	E33-R368 WeakPolarHBondContact OE1-CD 3.34Å; E33-R368 IonicContact OE1-CZ 2.91Å; E33-R368 VanDerWaalsContact OE1-CZ 3.27Å; E33-R368 IonicContact OE1-NE 3.2Å; E33-R368 PolarHBondContact OE1-NE 3.32Å; E33-R368 IonicContact OE1-NH1 3.17Å; E33-R368 PolarHBondContact OE1-NH1 3.24Å; E364-R368 IonicContact OE1-CZ 3.42Å; E364-R368 IonicContact OE1-NE 3.09Å; E364-R368 IonicContact OE1-NH2 2.87Å; E364-R368 PolarHBondContact OE1-NH2 3.05Å; A365-R368 WeakPolarHBondContact O-CB 3.5Å; A365-R368 PolarHBondContact O-N 3.41Å; E366-R368 VanDerWaalsContact C-N 3.26Å; E366-R368 PolarHBondContact O-N 2.8Å; R368-K370 PolarHBondContact O-N 3.29Å; R368-K370 VanDerWaalsContact O-N 3.13Å
369	L	81.8	Confident	81.9	Confident	55 Å²	55	92.7 Å²	92.7	29%	0.288	48%	0.482	S	S	.	.	B	Isolated β-bridge	trans	-66.1	117.7	177.7	-80.7	92.4	0	0	0	110.2	L34 K36	L34-L369 HydrophobicContact CB-CB 3.91Å; K36-L369 HydrophobicContact CB-CD1 3.48Å; K36-L369 VanDerWaalsContact CB-CD1 3.48Å
370	K	86.3	Confident	80.9	Confident	131 Å²	131	89.5 Å²	89.5	57%	0.57	49%	0.485	S	S	*	.	S	Bend	trans	-82.3	-22.8	174	-62.2	179.8	-176.3	172	0	112.6	R11 V12 R368	R11-K370 WeakPolarHBondContact CA-O 3.48Å; V12-K370 PolarHBondContact N-O 3.48Å; V12-K370 VanDerWaalsContact N-O 3.08Å; R368-K370 PolarHBondContact O-N 3.29Å; R368-K370 VanDerWaalsContact O-N 3.13Å
371	Q	88	Confident	80.3	Confident	85 Å²	85	88.3 Å²	88.3	40%	0.397	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	153.1	-176.7	66.3	-172.2	-2	0	0	112.3	M9 Y10 R11	M9-Q371 HydrophobicContact CE-CG 4.39Å; Y10-Q371 CarbonylContact O-C 3.52Å; Y10-Q371 WeakPolarHBondContact O-CA 3.44Å; R11-Q371 HydrophobicContact CG-CB 4.15Å; R11-Q371 VanDerWaalsContact CZ-OE1 3.29Å
372	V	89.6	Confident	80.1	Confident	16 Å²	16	88 Å²	88	10%	0.097	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	140.6	173.6	63.8	0	0	0	0	110.1	M9 Y10 L34 V42 I374	M9-V372 WeakPolarHBondContact CA-O 3.38Å; Y10-V372 PolarHBondContact N-O 3.19Å; Y10-V372 PolarHBondContact O-N 3.28Å; L34-V372 HydrophobicContact CD1-CB 4.17Å; L34-V372 HydrophobicContact CD1-CG1 3.87Å; L34-V372 HydrophobicContact CD2-CG1 3.95Å; V42-V372 HydrophobicContact CB-CG2 4.07Å; V42-V372 HydrophobicContact CG1-CB 4.25Å; V42-V372 HydrophobicContact CG1-CG2 3.92Å; V42-V372 HydrophobicContact CG2-CG2 3.96Å; V372-I374 HydrophobicContact CG1-CD1 4.12Å; V372-I374 HydrophobicContact CG1-CG1 4.16Å; V372-I374 HydrophobicContact CG2-CG1 4.23Å
373	Y	89.3	Confident	80	Confident	124 Å²	124	86.7 Å²	86.7	49%	0.486	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	126.3	169.1	178.4	-96.1	0	0	0	109.4	N8 M9 P375	N8-Y373 HydrophobicContact CB-CD2 3.87Å; N8-Y373 HydrophobicContact CB-CE2 3.38Å; N8-Y373 WeakPolarHBondContact O-CA 3.25Å; M9-Y373 HydrophobicContact CG-CD2 4.07Å; Y373-P375 HydrophobicContact CD1-CG 4.26Å; Y373-P375 HydrophobicContact CE1-CB 4.36Å; Y373-P375 HydrophobicContact CE1-CG 3.91Å
374	I	86.6	Confident	79.9	Confident	16 Å²	16	86 Å²	86	8%	0.082	45%	0.451	C	S	.	.			trans	-118.8	111.1	178.9	-56.4	169	0	0	0	107.9	N8 Y10 A131 I134 V372	N8-I374 WeakPolarHBondContact CB-O 3.35Å; N8-I374 PolarHBondContact O-N 3.26Å; Y10-I374 HydrophobicContact CD2-CB 4.15Å; Y10-I374 HydrophobicContact CD2-CD1 3.56Å; Y10-I374 HydrophobicContact CD2-CG1 3.93Å; Y10-I374 HydrophobicContact CE2-CB 3.9Å; Y10-I374 HydrophobicContact CE2-CD1 3.84Å; Y10-I374 HydrophobicContact CE2-CG1 4.16Å; Y10-I374 HydrophobicContact CG-CD1 4.28Å; A131-I374 HydrophobicContact CB-CD1 4.08Å; A131-I374 WeakPolarHBondContact O-CD1 3.24Å; I134-I374 HydrophobicContact CB-CD1 3.75Å; I134-I374 HydrophobicContact CD1-CD1 3.77Å; I134-I374 HydrophobicContact CG1-CD1 4.25Å; I134-I374 HydrophobicContact CG2-CD1 4.3Å; V372-I374 HydrophobicContact CG1-CD1 4.12Å; V372-I374 HydrophobicContact CG1-CG1 4.16Å; V372-I374 HydrophobicContact CG2-CG1 4.23Å
375	P	83.3	Confident	79.9	Confident	87 Å²	87	83.7 Å²	83.7	57%	0.565	44%	0.441	S	S	*	.			trans	-57	145.8	176.3	-21.7	30.7	0	0	0	111.9	Y373 Y377	Y373-P375 HydrophobicContact CD1-CG 4.26Å; Y373-P375 HydrophobicContact CE1-CB 4.36Å; Y373-P375 HydrophobicContact CE1-CG 3.91Å; P375-Y377 PolarHBondContact O-N 2.87Å
376	T	77.1	Confident	79.4	Confident	98 Å²	98	88.5 Å²	88.5	60%	0.601	46%	0.46	S	S	*	.			trans	-60.9	121.9	177.3	-50.3	0	0	0	0	110.5	N8 T378	N8-T376 PolarHBondContact ND2-OG1 2.85Å; N8-T376 VanDerWaalsContact ND2-OG1 3.07Å; N8-T376 PolarHBondContact OD1-OG1 2.85Å; T376-T378 PolarHBondContact O-N 3.33Å
377	Y	69	Low	78.4	Confident	113 Å²	113	85.2 Å²	85.2	44%	0.443	45%	0.452	S	S	.	.			trans	-81.8	115	-177.9	-170.9	-94.3	0	0	0	111.2	R135 P375 K379	R135-Y377 VanDerWaalsContact NH1-CG 3.28Å; P375-Y377 PolarHBondContact O-N 2.87Å; Y377-K379 HydrophobicContact CD1-CB 4.01Å; Y377-K379 HydrophobicContact CD1-CG 4.1Å; Y377-K379 HydrophobicContact CE1-CB 3.46Å; Y377-K379 VanDerWaalsContact CE1-CB 3.46Å; Y377-K379 HydrophobicContact CE1-CD 3.87Å; Y377-K379 HydrophobicContact CE1-CG 3.5Å; Y377-K379 VanDerWaalsContact CE1-CG 3.5Å; Y377-K379 HydrophobicContact CE2-CD 4.11Å; Y377-K379 HydrophobicContact CE2-CG 4.03Å; Y377-K379 VanDerWaalsContact CZ-CD 3.42Å; Y377-K379 VanDerWaalsContact CZ-CE 3.44Å; Y377-K379 VanDerWaalsContact CZ-CG 3.47Å; Y377-K379 WeakPolarHBondContact OH-CD 3.36Å; Y377-K379 WeakPolarHBondContact OH-CE 3.49Å; Y377-K379 PolarHBondContact OH-NZ 2.85Å
378	T	66.1	Low	77.1	Confident	127 Å²	127	89.1 Å²	89.1	78%	0.779	47%	0.466	S	S	*	.			trans	-103.4	17.2	-173.8	50.2	0	0	0	0	114.7	T376	T376-T378 PolarHBondContact O-N 3.33Å
379	K	69.6	Low	75.7	Confident	142 Å²	142	88.3 Å²	88.3	62%	0.617	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-64.3	138.3	179.1	-62.3	-160.8	-164.6	160	0	111	Y377 N381	Y377-K379 HydrophobicContact CD1-CB 4.01Å; Y377-K379 HydrophobicContact CD1-CG 4.1Å; Y377-K379 HydrophobicContact CE1-CB 3.46Å; Y377-K379 VanDerWaalsContact CE1-CB 3.46Å; Y377-K379 HydrophobicContact CE1-CD 3.87Å; Y377-K379 HydrophobicContact CE1-CG 3.5Å; Y377-K379 VanDerWaalsContact CE1-CG 3.5Å; Y377-K379 HydrophobicContact CE2-CD 4.11Å; Y377-K379 HydrophobicContact CE2-CG 4.03Å; Y377-K379 VanDerWaalsContact CZ-CD 3.42Å; Y377-K379 VanDerWaalsContact CZ-CE 3.44Å; Y377-K379 VanDerWaalsContact CZ-CG 3.47Å; Y377-K379 WeakPolarHBondContact OH-CD 3.36Å; Y377-K379 WeakPolarHBondContact OH-CE 3.49Å; Y377-K379 PolarHBondContact OH-NZ 2.85Å; K379-N381 PolarHBondContact O-N 3.29Å
380	P	70.7	Confident	73.8	Confident	114 Å²	114	90.8 Å²	90.8	74%	0.74	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-57.7	125.7	178.4	20.8	-30.2	0	0	0	110
381	N	77.5	Confident	72.1	Confident	35 Å²	35	87.7 Å²	87.7	19%	0.187	49%	0.486	C	S	.	.	P	Polyproline II helix	trans	-71	125	176.9	176	-8.9	0	0	0	108.4	K379 N383 I384 Y408 W424	K379-N381 PolarHBondContact O-N 3.29Å; N381-N383 PolarHBondContact O-N 2.8Å; N381-N383 WeakPolarHBondContact OD1-CB 3.48Å; N381-N383 PolarHBondContact OD1-N 3.27Å; N381-N383 PolarHBondContact OD1-ND2 3.5Å; N381-I384 HydrophobicContact CB-CD1 3.87Å; N381-I384 HydrophobicContact CB-CG1 3.97Å; N381-I384 WeakPolarHBondContact O-CB 3.48Å; N381-I384 WeakPolarHBondContact O-CD1 3.48Å; N381-I384 VanDerWaalsContact O-CG1 3.29Å; N381-I384 WeakPolarHBondContact O-CG1 3.08Å; N381-I384 PolarHBondContact O-N 3.12Å; N381-Y408 HydrophobicContact CB-CE1 4.36Å; N381-W424 VanDerWaalsContact ND2-CZ2 3.34Å; N381-W424 WeakPolarHBondContact ND2-CZ2 3.48Å; N381-W424 PolarHBondContact ND2-NE1 3.06Å
382	P	81.6	Confident	70.3	Confident	92 Å²	92	90 Å²	90	60%	0.597	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-16.4	-177.3	25.3	-35.9	0	0	0	113.7	S22 I384	S22-P382 WeakPolarHBondContact OG-CG 3.46Å; P382-I384 VanDerWaalsContact C-N 3.34Å
383	N	83.5	Confident	68.8	Low	30 Å²	30	93.9 Å²	93.9	16%	0.16	54%	0.537	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-0.6	178.4	-60.6	-51	0	0	0	113.6	N381 I385 Y408 A409 W424	N381-N383 PolarHBondContact O-N 2.8Å; N381-N383 WeakPolarHBondContact OD1-CB 3.48Å; N381-N383 PolarHBondContact OD1-N 3.27Å; N381-N383 PolarHBondContact OD1-ND2 3.5Å; N383-I385 PolarHBondContact O-N 3.11Å; N383-Y408 HydrophobicContact CB-CD1 4.48Å; N383-Y408 CarbonylContact O-C 3.54Å; N383-Y408 VanDerWaalsContact O-CA 3.22Å; N383-Y408 WeakPolarHBondContact O-CA 3.46Å; N383-A409 PolarHBondContact O-N 3.28Å; N383-W424 HydrophobicContact CB-CH2 3.72Å; N383-W424 HydrophobicContact CB-CZ2 4.15Å; N383-W424 HydrophobicContact CB-CZ3 4.25Å; N383-W424 VanDerWaalsContact ND2-CH2 3.28Å; N383-W424 WeakPolarHBondContact ND2-CH2 3.47Å
384	I	84.6	Confident	68	Low	43 Å²	43	91 Å²	91	22%	0.221	53%	0.529	C	S	.	.	B	Isolated β-bridge	trans	-68.2	128	177.5	-64.3	162.5	0	0	0	109.3	N381 P382 N386 Q406 Y408	N381-I384 HydrophobicContact CB-CD1 3.87Å; N381-I384 HydrophobicContact CB-CG1 3.97Å; N381-I384 WeakPolarHBondContact O-CB 3.48Å; N381-I384 WeakPolarHBondContact O-CD1 3.48Å; N381-I384 VanDerWaalsContact O-CG1 3.29Å; N381-I384 WeakPolarHBondContact O-CG1 3.08Å; N381-I384 PolarHBondContact O-N 3.12Å; P382-I384 VanDerWaalsContact C-N 3.34Å; I384-N386 WeakPolarHBondContact CG2-OD1 3.5Å; I384-N386 PolarHBondContact O-N 2.91Å; I384-Q406 VanDerWaalsContact CG1-NE2 3.3Å; I384-Q406 HydrophobicContact CG2-CG 4.17Å; I384-Q406 VanDerWaalsContact CG2-NE2 3.27Å; I384-Y408 HydrophobicContact CD1-CE1 4.45Å; I384-Y408 HydrophobicContact CG1-CD1 4Å; I384-Y408 HydrophobicContact CG1-CE1 3.57Å
385	I	83.3	Confident	67.9	Low	58 Å²	58	92 Å²	92	30%	0.297	54%	0.537	S	S	.	.			trans	-90.1	101.4	176.4	-57.3	172.9	0	0	0	108.6	N383 S387 W407 A409 R418	N383-I385 PolarHBondContact O-N 3.11Å; I385-S387 VanDerWaalsContact CG2-OG 3.3Å; I385-S387 WeakPolarHBondContact CG2-OG 3.35Å; I385-S387 PolarHBondContact O-N 3.34Å; I385-W407 HydrophobicContact CB-CB 4.26Å; I385-W407 HydrophobicContact CD1-CB 4.34Å; I385-W407 PolarHBondContact N-O 2.83Å; I385-A409 HydrophobicContact CD1-CB 4.11Å; I385-A409 HydrophobicContact CG1-CB 4.05Å; I385-R418 HydrophobicContact CD1-CB 3.95Å
386	N	68	Low	68.2	Low	151 Å²	151	87.8 Å²	87.8	81%	0.807	51%	0.511	S	S	*	.			trans	-84	77	172.7	-78.8	30.6	0	0	0	109.9	I384	I384-N386 WeakPolarHBondContact CG2-OD1 3.5Å; I384-N386 PolarHBondContact O-N 2.91Å
387	S	56.5	Low	68.8	Low	71 Å²	71	85.2 Å²	85.2	50%	0.497	49%	0.491	S	S	.	.			trans	-156.3	121.6	173.1	53.6	0	0	0	0	114.7	I385 V389	I385-S387 VanDerWaalsContact CG2-OG 3.3Å; I385-S387 WeakPolarHBondContact CG2-OG 3.35Å; I385-S387 PolarHBondContact O-N 3.34Å; S387-V389 PolarHBondContact O-N 3.04Å
388	N	48.1	Very low	69.7	Low	176 Å²	176	79.8 Å²	79.8	94%	0.941	47%	0.47	S	S	*	.			trans	-63.5	33	161.7	-77.1	-16.3	0	0	0	112.8	S390	N388-S390 PolarHBondContact O-N 2.78Å
389	V	49.4	Very low	70.8	Confident	90 Å²	90	76.1 Å²	76.1	55%	0.545	45%	0.449	S	S	.	.			trans	-98.6	84.5	174.3	-170.9	0	0	0	0	106.9	S387 V391	S387-V389 PolarHBondContact O-N 3.04Å; V389-V391 HydrophobicContact CG1-CG2 3.64Å; V389-V391 PolarHBondContact O-N 2.75Å
390	S	42.4	Very low	71.7	Confident	107 Å²	107	73.6 Å²	73.6	75%	0.748	44%	0.438	S	S	*	.			trans	-65.3	78.5	163.4	52.8	0	0	0	0	108.6	N388 P392	N388-S390 PolarHBondContact O-N 2.78Å; S390-P392 VanDerWaalsContact O-CD 3.26Å; S390-P392 WeakPolarHBondContact O-CD 3.36Å
391	V	50.6	Low	72.4	Confident	66 Å²	66	69.7 Å²	69.7	40%	0.4	42%	0.415	S	S	.	.			trans	-73.7	115	158.1	-161.1	0	0	0	0	105.6	V389 S393 L394	V389-V391 HydrophobicContact CG1-CG2 3.64Å; V389-V391 PolarHBondContact O-N 2.75Å; V391-S393 PolarHBondContact O-N 2.73Å; V391-L394 HydrophobicContact CB-CD1 3.98Å; V391-L394 HydrophobicContact CG1-CD1 4.21Å
392	P	50.5	Low	72.7	Confident	135 Å²	135	71.7 Å²	71.7	88%	0.877	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-3.7	-172.1	-22.4	34.3	0	0	0	115.1	S390	S390-P392 VanDerWaalsContact O-CD 3.26Å; S390-P392 WeakPolarHBondContact O-CD 3.36Å
393	S	57.3	Low	72.9	Confident	97 Å²	97	73.1 Å²	73.1	68%	0.678	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-4.7	-171.3	60	0	0	0	0	115.6	V391	V391-S393 PolarHBondContact O-N 2.73Å
394	L	71.5	Confident	73.1	Confident	62 Å²	62	73.2 Å²	73.2	33%	0.325	45%	0.447	S	S	.	.			trans	-103.5	116.5	-180	-73.5	93.9	0	0	0	111.2	V391 R418	V391-L394 HydrophobicContact CB-CD1 3.98Å; V391-L394 HydrophobicContact CG1-CD1 4.21Å; L394-R418 VanDerWaalsContact CB-NE 3.35Å; L394-R418 PolarHBondContact O-NE 3.28Å; L394-R418 PolarHBondContact O-NH2 3.32Å
395	S	86	Confident	73.2	Confident	37 Å²	37	79 Å²	79	26%	0.259	47%	0.474	S	S	.	.			trans	-105.1	171	168.7	56.4	0	0	0	0	109.9	E397 K400 A401	S395-E397 PolarHBondContact O-N 3.42Å; S395-K400 WeakPolarHBondContact CB-O 3.39Å; S395-A401 WeakPolarHBondContact CA-O 3.18Å
396	C	89.9	Confident	73.4	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	47%	0.474	C	S	.	.			trans	-60.2	129	172.3	173.3	0	0	0	0	110.4	S398 C399 K400 A401 W407 C420 C423	C396-S398 PolarHBondContact O-N 3.47Å; C396-S398 VanDerWaalsContact O-N 3.11Å; C396-C399 VanDerWaalsContact CB-SG 3.58Å; C396-K400 WeakPolarHBondContact O-CA 3.28Å; C396-K400 PolarHBondContact O-N 3.32Å; C396-A401 HydrophobicContact CB-CB 4.35Å; C396-A401 PolarHBondContact N-O 3.03Å; C396-W407 HydrophobicContact CB-CH2 4.39Å; C396-W407 HydrophobicContact CB-CZ3 4Å; C396-C420 HydrophobicContact CB-CB 4.08Å; C396-C420 PolarHBondContact SG-N 2.9Å; C396-C423 VanDerWaalsContact SG-CB 3.59Å; C396-C423 VanDerWaalsContact SG-SG 3.67Å
397	E	89.4	Confident	74.4	Confident	43 Å²	43	74.1 Å²	74.1	20%	0.201	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.4	-173.4	-156.6	51.3	-140.3	0	0	114.1	S395 K400 R418 L419 H437	S395-E397 PolarHBondContact O-N 3.42Å; E397-K400 IonicContact OE1-NZ 3.3Å; E397-K400 PolarHBondContact OE1-NZ 3.13Å; E397-K400 IonicContact OE2-NZ 2.67Å; E397-K400 PolarHBondContact OE2-NZ 3.44Å; E397-K400 VanDerWaalsContact OE2-NZ 3.15Å; E397-R418 PolarHBondContact N-O 2.8Å; E397-L419 HydrophobicContact CB-CD2 4.08Å; E397-H437 VanDerWaalsContact CG-CD2 3.47Å; E397-H437 WeakPolarHBondContact CG-CD2 3.49Å; E397-H437 WeakPolarHBondContact CG-NE2 3.38Å; E397-H437 IonicContact OE1-CD2 3.84Å; E397-H437 IonicContact OE1-NE2 3.34Å; E397-H437 PolarHBondContact OE1-NE2 2.87Å
398	S	86.7	Confident	76	Confident	0 Å²	0	72 Å²	72	0%	0	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-53.3	177.2	175.4	0	0	0	0	113.7	C396 C423 K434 R435	C396-S398 PolarHBondContact O-N 3.47Å; C396-S398 VanDerWaalsContact O-N 3.11Å; S398-C423 WeakPolarHBondContact CB-SG 3.36Å; S398-C423 PolarHBondContact OG-SG 3Å; S398-K434 PolarHBondContact OG-N 3.43Å; S398-R435 WeakPolarHBondContact O-CD 3.42Å
399	C	89.6	Confident	78	Confident	49 Å²	49	65.4 Å²	65.4	33%	0.331	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-6.4	-175.6	67.3	0	0	0	0	114.4	C396 A401 C420 C423	C396-C399 VanDerWaalsContact CB-SG 3.58Å; C399-A401 PolarHBondContact O-N 2.77Å; C399-A401 WeakPolarHBondContact SG-CB 3.34Å; C399-C420 VanDerWaalsContact SG-SG 3.64Å; C399-C423 VanDerWaalsContact SG-SG 3.67Å
400	K	88.2	Confident	79.8	Confident	89 Å²	89	61.6 Å²	61.6	39%	0.387	37%	0.37	S	S	.	.			trans	59.3	20.1	-175.5	-53.1	-67.8	168.8	-177.3	0	114.4	S395 C396 E397	S395-K400 WeakPolarHBondContact CB-O 3.39Å; C396-K400 WeakPolarHBondContact O-CA 3.28Å; C396-K400 PolarHBondContact O-N 3.32Å; E397-K400 IonicContact OE1-NZ 3.3Å; E397-K400 PolarHBondContact OE1-NZ 3.13Å; E397-K400 IonicContact OE2-NZ 2.67Å; E397-K400 PolarHBondContact OE2-NZ 3.44Å; E397-K400 VanDerWaalsContact OE2-NZ 3.15Å
401	A	86.8	Confident	81.7	Confident	32 Å²	32	56.9 Å²	56.9	26%	0.264	34%	0.338	S	S	.	.			trans	-60.8	137.8	170.5	0	0	0	0	0	111.1	S395 C396 C399 W407	S395-A401 WeakPolarHBondContact CA-O 3.18Å; C396-A401 HydrophobicContact CB-CB 4.35Å; C396-A401 PolarHBondContact N-O 3.03Å; C399-A401 PolarHBondContact O-N 2.77Å; C399-A401 WeakPolarHBondContact SG-CB 3.34Å; A401-W407 WeakPolarHBondContact O-CH2 3.34Å
402	A	83.5	Confident	83.2	Confident	78 Å²	78	54.9 Å²	54.9	65%	0.645	33%	0.327	S	S	*	.	S	Bend	trans	-89.1	-18.4	176.5	0	0	0	0	0	113	W407	A402-W407 WeakPolarHBondContact O-CZ2 3.48Å
403	T	85.1	Confident	84.4	Confident	121 Å²	121	56 Å²	56	74%	0.742	33%	0.326	S	S	*	.			trans	-126.7	141.3	-176.8	54.8	0	0	0	0	110.8
404	S	87	Confident	85.4	Confident	32 Å²	32	56.7 Å²	56.7	22%	0.224	33%	0.33	C	S	.	.			trans	-155	145	175.9	-177.4	0	0	0	0	108.8	Q406 C420 K421	S404-Q406 WeakPolarHBondContact CB-O 3.32Å; S404-Q406 PolarHBondContact O-N 3.3Å; S404-Q406 PolarHBondContact OG-N 3.03Å; S404-Q406 PolarHBondContact OG-O 3.01Å; S404-C420 WeakPolarHBondContact OG-CA 3.5Å; S404-C420 WeakPolarHBondContact OG-CB 3.22Å; S404-K421 PolarHBondContact OG-N 3.24Å
405	E	86.7	Confident	85.8	Confident	166 Å²	166	55.2 Å²	55.2	78%	0.776	33%	0.327	S	S	*	.	S	Bend	trans	-58.2	-34.3	173.7	-64.8	177.9	172.9	0	0	112.1	K421	E405-K421 HydrophobicContact CB-CD 4.46Å; E405-K421 WeakPolarHBondContact OE2-CD 3.22Å; E405-K421 IonicContact OE2-NZ 2.97Å; E405-K421 PolarHBondContact OE2-NZ 3.45Å
406	Q	88.1	Confident	85.5	Confident	64 Å²	64	61 Å²	61	30%	0.299	35%	0.35	S	S	.	.	S	Bend	trans	-146.7	140.8	-179.3	-167.1	161.1	24.6	0	0	109.9	I384 S404 Y408 K421	I384-Q406 VanDerWaalsContact CG1-NE2 3.3Å; I384-Q406 HydrophobicContact CG2-CG 4.17Å; I384-Q406 VanDerWaalsContact CG2-NE2 3.27Å; S404-Q406 WeakPolarHBondContact CB-O 3.32Å; S404-Q406 PolarHBondContact O-N 3.3Å; S404-Q406 PolarHBondContact OG-N 3.03Å; S404-Q406 PolarHBondContact OG-O 3.01Å; Q406-Y408 HydrophobicContact CB-CE2 4.21Å; Q406-Y408 HydrophobicContact CG-CE2 4.01Å; Q406-Y408 PolarHBondContact OE1-OH 3.31Å; Q406-K421 PolarHBondContact O-N 2.72Å
407	W	89.5	Confident	85.4	Confident	41 Å²	41	62.3 Å²	62.3	16%	0.155	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	138	178.3	-69.1	97.6	0	0	0	110.4	I385 C396 A401 A402 R418 C420	I385-W407 HydrophobicContact CB-CB 4.26Å; I385-W407 HydrophobicContact CD1-CB 4.34Å; I385-W407 PolarHBondContact N-O 2.83Å; C396-W407 HydrophobicContact CB-CH2 4.39Å; C396-W407 HydrophobicContact CB-CZ3 4Å; A401-W407 WeakPolarHBondContact O-CH2 3.34Å; A402-W407 WeakPolarHBondContact O-CZ2 3.48Å; W407-R418 HydrophobicContact CE3-CB 4.15Å; W407-R418 HydrophobicContact CE3-CG 3.72Å; W407-R418 HydrophobicContact CZ3-CG 3.88Å; W407-C420 HydrophobicContact CZ3-CB 4.43Å
408	Y	89.4	Confident	85.4	Confident	26 Å²	26	62 Å²	62	10%	0.102	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.3	177.7	-62.1	-89.8	0	0	0	110.8	N381 N383 I384 Q406 R418 L419 K421 W424	N381-Y408 HydrophobicContact CB-CE1 4.36Å; N383-Y408 HydrophobicContact CB-CD1 4.48Å; N383-Y408 CarbonylContact O-C 3.54Å; N383-Y408 VanDerWaalsContact O-CA 3.22Å; N383-Y408 WeakPolarHBondContact O-CA 3.46Å; I384-Y408 HydrophobicContact CD1-CE1 4.45Å; I384-Y408 HydrophobicContact CG1-CD1 4Å; I384-Y408 HydrophobicContact CG1-CE1 3.57Å; Q406-Y408 HydrophobicContact CB-CE2 4.21Å; Q406-Y408 HydrophobicContact CG-CE2 4.01Å; Q406-Y408 PolarHBondContact OE1-OH 3.31Å; Y408-R418 CarbonylContact O-C 3.56Å; Y408-R418 VanDerWaalsContact O-CA 3.24Å; Y408-R418 WeakPolarHBondContact O-CA 3.29Å; Y408-L419 PolarHBondContact N-O 2.96Å; Y408-L419 PolarHBondContact O-N 2.93Å; Y408-K421 HydrophobicContact CE2-CB 4.39Å; Y408-W424 VanDerWaalsContact CB-CD2 3.45Å; Y408-W424 AromaticContact CD1-CD1 3.9Å; Y408-W424 AromaticContact CD1-CD2 3.79Å; Y408-W424 HydrophobicContact CD1-CD2 3.79Å; Y408-W424 AromaticContact CD1-CE2 3.74Å; Y408-W424 HydrophobicContact CD1-CE3 4.38Å; Y408-W424 AromaticContact CD1-CG 3.91Å; Y408-W424 HydrophobicContact CD1-CG 3.91Å; Y408-W424 HydrophobicContact CD1-CZ2 4.33Å; Y408-W424 AromaticContact CD1-NE1 3.8Å; Y408-W424 HydrophobicContact CD2-CB 3.42Å; Y408-W424 VanDerWaalsContact CD2-CB 3.42Å; Y408-W424 AromaticContact CD2-CD1 3.8Å; Y408-W424 AromaticContact CD2-CD2 3.99Å; Y408-W424 HydrophobicContact CD2-CD2 3.99Å; Y408-W424 AromaticContact CD2-CG 3.42Å; Y408-W424 HydrophobicContact CD2-CG 3.42Å; Y408-W424 VanDerWaalsContact CD2-CG 3.42Å; Y408-W424 AromaticContact CE1-CD1 3.91Å; Y408-W424 HydrophobicContact CE1-CG 4.33Å; Y408-W424 AromaticContact CE1-NE1 3.87Å; Y408-W424 HydrophobicContact CE2-CB 3.97Å; Y408-W424 AromaticContact CE2-CD1 3.79Å; Y408-W424 AromaticContact CE2-CG 3.87Å; Y408-W424 HydrophobicContact CE2-CG 3.87Å; Y408-W424 HydrophobicContact CG-CB 3.87Å; Y408-W424 AromaticContact CG-CD1 3.84Å; Y408-W424 AromaticContact CG-CD2 3.46Å; Y408-W424 HydrophobicContact CG-CD2 3.46Å; Y408-W424 VanDerWaalsContact CG-CD2 3.46Å; Y408-W424 AromaticContact CG-CE2 3.95Å; Y408-W424 AromaticContact CG-CE3 3.88Å; Y408-W424 HydrophobicContact CG-CE3 3.88Å; Y408-W424 AromaticContact CG-CG 3.43Å; Y408-W424 HydrophobicContact CG-CG 3.43Å; Y408-W424 VanDerWaalsContact CG-CG 3.43Å; Y408-W424 AromaticContact CZ-CD1 3.83Å
409	A	89.9	Confident	85.6	Confident	39 Å²	39	62 Å²	62	32%	0.322	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	134.1	169.7	0	0	0	0	0	109.8	N383 I385 W424	N383-A409 PolarHBondContact O-N 3.28Å; I385-A409 HydrophobicContact CD1-CB 4.11Å; I385-A409 HydrophobicContact CG1-CB 4.05Å; A409-W424 VanDerWaalsContact O-CZ3 3.31Å; A409-W424 WeakPolarHBondContact O-CZ3 3.1Å
410	W	88.3	Confident	85.7	Confident	9 Å²	9	59.9 Å²	59.9	3%	0.034	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	153.7	-178	180	85	0	0	0	110.1	L417 L419 W424 W427 L433 H437 F442	W410-L417 HydrophobicContact CE3-CB 4.04Å; W410-L417 HydrophobicContact CE3-CD1 3.86Å; W410-L417 HydrophobicContact CZ3-CD1 3.72Å; W410-L417 PolarHBondContact N-O 2.79Å; W410-L417 CarbonylContact O-C 3.55Å; W410-L417 VanDerWaalsContact O-CB 3.27Å; W410-L417 WeakPolarHBondContact O-CB 3.43Å; W410-L417 VanDerWaalsContact O-O 3.09Å; W410-L419 HydrophobicContact CB-CD1 3.86Å; W410-L419 HydrophobicContact CB-CG 3.8Å; W410-L419 HydrophobicContact CD2-CD1 4.11Å; W410-L419 HydrophobicContact CD2-CG 4.38Å; W410-L419 HydrophobicContact CG-CD1 3.56Å; W410-L419 HydrophobicContact CG-CG 3.92Å; W410-W424 HydrophobicContact CB-CZ3 4.46Å; W410-W427 AromaticContact CD1-CD2 3.7Å; W410-W427 AromaticContact CD1-CE2 3.66Å; W410-W427 AromaticContact CD1-CZ2 3.98Å; W410-W427 AromaticContact CE2-NE1 3.96Å; W410-W427 AromaticContact NE1-CD1 3.36Å; W410-W427 AromaticContact NE1-CD2 3.48Å; W410-W427 AromaticContact NE1-CE2 3.12Å; W410-W427 AromaticContact NE1-CG 3.61Å; W410-W427 AromaticContact NE1-CZ2 3.67Å; W410-W427 AromaticContact NE1-NE1 3.06Å; W410-L433 HydrophobicContact CD2-CD1 4.5Å; W410-L433 HydrophobicContact CE3-CD1 4.23Å; W410-L433 HydrophobicContact CH2-CD1 3.46Å; W410-L433 VanDerWaalsContact CH2-CD1 3.46Å; W410-L433 HydrophobicContact CH2-CG 4.05Å; W410-L433 HydrophobicContact CZ2-CD1 3.76Å; W410-L433 HydrophobicContact CZ2-CD2 4.21Å; W410-L433 HydrophobicContact CZ2-CG 3.85Å; W410-L433 HydrophobicContact CZ3-CD1 3.7Å; W410-H437 HydrophobicContact CH2-CB 4.14Å; W410-H437 AromaticContact CH2-CG 3.93Å; W410-H437 AromaticContact CH2-ND1 3.37Å; W410-H437 WeakPolarHBondContact CH2-ND1 3.22Å; W410-H437 AromaticContact CZ3-CE1 3.68Å; W410-H437 AromaticContact CZ3-ND1 3.32Å; W410-H437 VanDerWaalsContact CZ3-ND1 3.32Å; W410-H437 WeakPolarHBondContact CZ3-ND1 3.31Å; W410-F442 AromaticContact CD1-CE1 3.95Å; W410-F442 HydrophobicContact CD2-CE1 4.26Å; W410-F442 AromaticContact CE2-CE1 3.65Å; W410-F442 HydrophobicContact CG-CE1 4.42Å; W410-F442 HydrophobicContact CZ2-CD1 4.14Å; W410-F442 HydrophobicContact CZ2-CE1 4.01Å; W410-F442 AromaticContact NE1-CE1 3.48Å
411	G	82.8	Confident	85.9	Confident	8 Å²	8	59.5 Å²	59.5	8%	0.082	34%	0.338	C	S	.	.	S	Bend	trans	83.7	-177.1	-178.8	0	0	0	0	0	114.2	F442	G411-F442 VanDerWaalsContact CA-CD2 3.42Å; G411-F442 VanDerWaalsContact N-CZ 3.25Å; G411-F442 VanDerWaalsContact O-CE2 3.26Å; G411-F442 WeakPolarHBondContact O-CE2 3.4Å
412	P	81.2	Confident	86.1	Confident	24 Å²	24	63.3 Å²	63.3	16%	0.156	35%	0.353	C	S	.	.			trans	-57.8	140.7	173.8	-20	31	0	0	0	110.8	S414 A415 Y439 F442	P412-S414 PolarHBondContact O-N 3.04Å; P412-A415 PolarHBondContact O-N 2.64Å; P412-Y439 HydrophobicContact CG-CD1 3.9Å; P412-Y439 HydrophobicContact CG-CE1 4.18Å; P412-Y439 HydrophobicContact CG-CG 4.29Å; P412-F442 HydrophobicContact CG-CB 3.91Å; P412-F442 HydrophobicContact CG-CD2 4.42Å; P412-F442 HydrophobicContact CG-CG 4.5Å
413	N	75.4	Confident	86.5	Confident	160 Å²	160	59.7 Å²	59.7	86%	0.856	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-53.7	-28.8	179.5	-66.5	-12.5	0	0	0	113.1	A415	N413-A415 VanDerWaalsContact C-N 3.32Å; N413-A415 PolarHBondContact O-N 3.17Å
414	S	77.5	Confident	86.8	Confident	111 Å²	111	54.5 Å²	54.5	78%	0.776	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-69.2	-25.3	177.1	53.5	0	0	0	0	114.2	P412	P412-S414 PolarHBondContact O-N 3.04Å
415	A	80.3	Confident	86.9	Confident	30 Å²	30	55.3 Å²	55.3	25%	0.248	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-90.7	-13.9	-175.5	0	0	0	0	0	113.2	P412 N413 L417 Y439	P412-A415 PolarHBondContact O-N 2.64Å; N413-A415 VanDerWaalsContact C-N 3.32Å; N413-A415 PolarHBondContact O-N 3.17Å; A415-L417 HydrophobicContact CB-CD1 3.94Å; A415-L417 HydrophobicContact CB-CD2 4.23Å; A415-L417 HydrophobicContact CB-CG 3.72Å; A415-L417 WeakPolarHBondContact O-CD2 3.35Å; A415-L417 PolarHBondContact O-N 3.14Å; A415-L417 VanDerWaalsContact O-N 3.07Å; A415-Y439 HydrophobicContact CB-CE2 4.12Å
416	Q	81.1	Confident	87.1	Confident	159 Å²	159	49.2 Å²	49.2	74%	0.743	27%	0.266	S	S	*	.			trans	46	38.6	179.1	-61.9	-173.3	-16.1	0	0	114.2
417	L	86.7	Confident	87.2	Confident	28 Å²	28	46.2 Å²	46.2	15%	0.147	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	154.4	-176.7	-47	166.4	0	0	0	110.4	W410 A415 Y439	W410-L417 HydrophobicContact CE3-CB 4.04Å; W410-L417 HydrophobicContact CE3-CD1 3.86Å; W410-L417 HydrophobicContact CZ3-CD1 3.72Å; W410-L417 PolarHBondContact N-O 2.79Å; W410-L417 CarbonylContact O-C 3.55Å; W410-L417 VanDerWaalsContact O-CB 3.27Å; W410-L417 WeakPolarHBondContact O-CB 3.43Å; W410-L417 VanDerWaalsContact O-O 3.09Å; A415-L417 HydrophobicContact CB-CD1 3.94Å; A415-L417 HydrophobicContact CB-CD2 4.23Å; A415-L417 HydrophobicContact CB-CG 3.72Å; A415-L417 WeakPolarHBondContact O-CD2 3.35Å; A415-L417 PolarHBondContact O-N 3.14Å; A415-L417 VanDerWaalsContact O-N 3.07Å; L417-Y439 HydrophobicContact CD1-CD2 3.71Å; L417-Y439 HydrophobicContact CD1-CE2 4.35Å
418	R	89.6	Confident	87.3	Confident	36 Å²	36	44.3 Å²	44.3	14%	0.136	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	149	-179.5	69	-177.3	-171.8	-175	2.7	113.7	I385 L394 E397 W407 Y408	I385-R418 HydrophobicContact CD1-CB 3.95Å; L394-R418 VanDerWaalsContact CB-NE 3.35Å; L394-R418 PolarHBondContact O-NE 3.28Å; L394-R418 PolarHBondContact O-NH2 3.32Å; E397-R418 PolarHBondContact N-O 2.8Å; W407-R418 HydrophobicContact CE3-CB 4.15Å; W407-R418 HydrophobicContact CE3-CG 3.72Å; W407-R418 HydrophobicContact CZ3-CG 3.88Å; Y408-R418 CarbonylContact O-C 3.56Å; Y408-R418 VanDerWaalsContact O-CA 3.24Å; Y408-R418 WeakPolarHBondContact O-CA 3.29Å
419	L	91.1	Very high	87.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145.4	173.6	-60.4	177.7	0	0	0	110.5	E397 Y408 W410 C423 W424 W427 L433	E397-L419 HydrophobicContact CB-CD2 4.08Å; Y408-L419 PolarHBondContact N-O 2.96Å; Y408-L419 PolarHBondContact O-N 2.93Å; W410-L419 HydrophobicContact CB-CD1 3.86Å; W410-L419 HydrophobicContact CB-CG 3.8Å; W410-L419 HydrophobicContact CD2-CD1 4.11Å; W410-L419 HydrophobicContact CD2-CG 4.38Å; W410-L419 HydrophobicContact CG-CD1 3.56Å; W410-L419 HydrophobicContact CG-CG 3.92Å; L419-C423 HydrophobicContact CB-CB 4.19Å; L419-C423 HydrophobicContact CD2-CB 4.22Å; L419-W424 HydrophobicContact CB-CB 4.32Å; L419-W424 HydrophobicContact CD1-CE3 4.26Å; L419-W427 HydrophobicContact CD1-CB 4.11Å; L419-W427 HydrophobicContact CD1-CG 4.42Å; L419-L433 HydrophobicContact CD1-CD2 3.64Å; L419-L433 HydrophobicContact CD2-CD1 4.14Å; L419-L433 HydrophobicContact CD2-CD2 3.78Å; L419-L433 HydrophobicContact CG-CD2 4.38Å
420	C	92.5	Very high	87.1	Confident	5 Å²	5	50.5 Å²	50.5	3%	0.034	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	168.8	165.2	71.6	0	0	0	0	110.3	C396 C399 S404 W407 D422 C423 W424	C396-C420 HydrophobicContact CB-CB 4.08Å; C396-C420 PolarHBondContact SG-N 2.9Å; C399-C420 VanDerWaalsContact SG-SG 3.64Å; S404-C420 WeakPolarHBondContact OG-CA 3.5Å; S404-C420 WeakPolarHBondContact OG-CB 3.22Å; W407-C420 HydrophobicContact CZ3-CB 4.43Å; C420-D422 VanDerWaalsContact C-N 3.3Å; C420-D422 PolarHBondContact O-N 3.01Å; C420-C423 PolarHBondContact O-N 3.24Å; C420-C423 PolarHBondContact SG-N 3.06Å; C420-C423 VanDerWaalsContact SG-N 3.43Å; C420-C423 VanDerWaalsContact SG-SG 3.65Å; C420-W424 WeakPolarHBondContact O-CB 3.49Å; C420-W424 PolarHBondContact O-N 3.12Å
421	K	90.7	Very high	86.9	Confident	80 Å²	80	50.1 Å²	50.1	35%	0.348	26%	0.259	S	S	.	.	H	α-helix	trans	-54.9	-41.6	-179.3	178.7	177.6	168	-177.6	0	113.4	S404 E405 Q406 Y408 S425	S404-K421 PolarHBondContact OG-N 3.24Å; E405-K421 HydrophobicContact CB-CD 4.46Å; E405-K421 WeakPolarHBondContact OE2-CD 3.22Å; E405-K421 IonicContact OE2-NZ 2.97Å; E405-K421 PolarHBondContact OE2-NZ 3.45Å; Q406-K421 PolarHBondContact O-N 2.72Å; Y408-K421 HydrophobicContact CE2-CB 4.39Å; K421-S425 WeakPolarHBondContact O-CB 3.37Å; K421-S425 PolarHBondContact O-N 3.14Å; K421-S425 PolarHBondContact O-OG 3.2Å
422	D	91.5	Very high	87	Confident	112 Å²	112	49.8 Å²	49.8	60%	0.599	26%	0.256	S	S	*	.	H	α-helix	trans	-72.8	-42.8	-178.2	-57.5	-40.6	0	0	0	112.2	C420 W424 S425 Y426	C420-D422 VanDerWaalsContact C-N 3.3Å; C420-D422 PolarHBondContact O-N 3.01Å; D422-W424 VanDerWaalsContact C-N 3.34Å; D422-S425 PolarHBondContact O-N 3.44Å; D422-Y426 WeakPolarHBondContact O-CB 3.48Å; D422-Y426 PolarHBondContact O-N 3.33Å
423	C	92.4	Very high	87.3	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.014	25%	0.248	C	C	.	.	H	α-helix	trans	-70.2	-32.8	177.2	-72.6	0	0	0	0	112	C396 S398 C399 L419 C420 W427	C396-C423 VanDerWaalsContact SG-CB 3.59Å; C396-C423 VanDerWaalsContact SG-SG 3.67Å; S398-C423 WeakPolarHBondContact CB-SG 3.36Å; S398-C423 PolarHBondContact OG-SG 3Å; C399-C423 VanDerWaalsContact SG-SG 3.67Å; L419-C423 HydrophobicContact CB-CB 4.19Å; L419-C423 HydrophobicContact CD2-CB 4.22Å; C420-C423 PolarHBondContact O-N 3.24Å; C420-C423 PolarHBondContact SG-N 3.06Å; C420-C423 VanDerWaalsContact SG-N 3.43Å; C420-C423 VanDerWaalsContact SG-SG 3.65Å; C423-W427 VanDerWaalsContact O-CB 3.28Å; C423-W427 WeakPolarHBondContact O-CB 3.44Å; C423-W427 PolarHBondContact O-N 3.42Å
424	W	90.9	Very high	87.8	Confident	13 Å²	13	45.2 Å²	45.2	5%	0.049	23%	0.226	C	C	.	.	H	α-helix	trans	-62.7	-47.5	170	178.1	-98.7	0	0	0	111.2	N381 N383 Y408 A409 W410 L419 C420 D422 Y426 W427 K428	N381-W424 VanDerWaalsContact ND2-CZ2 3.34Å; N381-W424 WeakPolarHBondContact ND2-CZ2 3.48Å; N381-W424 PolarHBondContact ND2-NE1 3.06Å; N383-W424 HydrophobicContact CB-CH2 3.72Å; N383-W424 HydrophobicContact CB-CZ2 4.15Å; N383-W424 HydrophobicContact CB-CZ3 4.25Å; N383-W424 VanDerWaalsContact ND2-CH2 3.28Å; N383-W424 WeakPolarHBondContact ND2-CH2 3.47Å; Y408-W424 VanDerWaalsContact CB-CD2 3.45Å; Y408-W424 AromaticContact CD1-CD1 3.9Å; Y408-W424 AromaticContact CD1-CD2 3.79Å; Y408-W424 HydrophobicContact CD1-CD2 3.79Å; Y408-W424 AromaticContact CD1-CE2 3.74Å; Y408-W424 HydrophobicContact CD1-CE3 4.38Å; Y408-W424 AromaticContact CD1-CG 3.91Å; Y408-W424 HydrophobicContact CD1-CG 3.91Å; Y408-W424 HydrophobicContact CD1-CZ2 4.33Å; Y408-W424 AromaticContact CD1-NE1 3.8Å; Y408-W424 HydrophobicContact CD2-CB 3.42Å; Y408-W424 VanDerWaalsContact CD2-CB 3.42Å; Y408-W424 AromaticContact CD2-CD1 3.8Å; Y408-W424 AromaticContact CD2-CD2 3.99Å; Y408-W424 HydrophobicContact CD2-CD2 3.99Å; Y408-W424 AromaticContact CD2-CG 3.42Å; Y408-W424 HydrophobicContact CD2-CG 3.42Å; Y408-W424 VanDerWaalsContact CD2-CG 3.42Å; Y408-W424 AromaticContact CE1-CD1 3.91Å; Y408-W424 HydrophobicContact CE1-CG 4.33Å; Y408-W424 AromaticContact CE1-NE1 3.87Å; Y408-W424 HydrophobicContact CE2-CB 3.97Å; Y408-W424 AromaticContact CE2-CD1 3.79Å; Y408-W424 AromaticContact CE2-CG 3.87Å; Y408-W424 HydrophobicContact CE2-CG 3.87Å; Y408-W424 HydrophobicContact CG-CB 3.87Å; Y408-W424 AromaticContact CG-CD1 3.84Å; Y408-W424 AromaticContact CG-CD2 3.46Å; Y408-W424 HydrophobicContact CG-CD2 3.46Å; Y408-W424 VanDerWaalsContact CG-CD2 3.46Å; Y408-W424 AromaticContact CG-CE2 3.95Å; Y408-W424 AromaticContact CG-CE3 3.88Å; Y408-W424 HydrophobicContact CG-CE3 3.88Å; Y408-W424 AromaticContact CG-CG 3.43Å; Y408-W424 HydrophobicContact CG-CG 3.43Å; Y408-W424 VanDerWaalsContact CG-CG 3.43Å; Y408-W424 AromaticContact CZ-CD1 3.83Å; A409-W424 VanDerWaalsContact O-CZ3 3.31Å; A409-W424 WeakPolarHBondContact O-CZ3 3.1Å; W410-W424 HydrophobicContact CB-CZ3 4.46Å; L419-W424 HydrophobicContact CB-CB 4.32Å; L419-W424 HydrophobicContact CD1-CE3 4.26Å; C420-W424 WeakPolarHBondContact O-CB 3.49Å; C420-W424 PolarHBondContact O-N 3.12Å; D422-W424 VanDerWaalsContact C-N 3.34Å; W424-Y426 VanDerWaalsContact C-N 3.33Å; W424-Y426 PolarHBondContact O-N 3.34Å; W424-W427 HydrophobicContact CE3-CE3 4.16Å; W424-W427 HydrophobicContact CE3-CZ3 4.45Å; W424-W427 HydrophobicContact CH2-CE3 4.16Å; W424-W427 AromaticContact CH2-CZ3 3.64Å; W424-W427 HydrophobicContact CH2-CZ3 3.64Å; W424-W427 HydrophobicContact CZ2-CZ3 4.17Å; W424-W427 AromaticContact CZ3-CE3 3.97Å; W424-W427 HydrophobicContact CZ3-CE3 3.97Å; W424-W427 AromaticContact CZ3-CZ3 3.82Å; W424-W427 HydrophobicContact CZ3-CZ3 3.82Å; W424-W427 PolarHBondContact O-N 3.09Å; W424-K428 HydrophobicContact CD2-CG 4.47Å; W424-K428 HydrophobicContact CZ2-CD 3.97Å; W424-K428 HydrophobicContact CZ2-CG 4.23Å; W424-K428 WeakPolarHBondContact O-CG 3.4Å; W424-K428 PolarHBondContact O-N 2.99Å
425	S	89.6	Confident	88	Confident	48 Å²	48	45.7 Å²	45.7	34%	0.336	21%	0.211	S	C	.	.	H	α-helix	trans	-62.2	-41.9	177.8	-58	0	0	0	0	111.6	K421 D422 K428 R429	K421-S425 WeakPolarHBondContact O-CB 3.37Å; K421-S425 PolarHBondContact O-N 3.14Å; K421-S425 PolarHBondContact O-OG 3.2Å; D422-S425 PolarHBondContact O-N 3.44Å; S425-K428 PolarHBondContact O-N 2.79Å; S425-R429 WeakPolarHBondContact O-CG 3.44Å; S425-R429 PolarHBondContact O-N 3.2Å; S425-R429 VanDerWaalsContact O-N 3.1Å
426	Y	90.4	Very high	88	Confident	38 Å²	38	50.9 Å²	50.9	15%	0.149	23%	0.228	C	C	.	.	H	α-helix	trans	-60.5	-51.3	173.8	-175.8	-87.1	0	0	0	111.2	L114 D422 W424 K428 R429 Y430 G432 K434	L114-Y426 VanDerWaalsContact CD2-OH 3.27Å; L114-Y426 WeakPolarHBondContact CD2-OH 3.35Å; D422-Y426 WeakPolarHBondContact O-CB 3.48Å; D422-Y426 PolarHBondContact O-N 3.33Å; W424-Y426 VanDerWaalsContact C-N 3.33Å; W424-Y426 PolarHBondContact O-N 3.34Å; Y426-K428 VanDerWaalsContact C-N 3.31Å; Y426-K428 PolarHBondContact O-N 3.29Å; Y426-R429 PolarHBondContact O-N 3.2Å; Y426-Y430 HydrophobicContact CD1-CD2 4.21Å; Y426-Y430 AromaticContact CD2-CD2 3.56Å; Y426-Y430 HydrophobicContact CD2-CD2 3.56Å; Y426-Y430 AromaticContact CD2-CE2 3.76Å; Y426-Y430 HydrophobicContact CD2-CE2 3.76Å; Y426-Y430 HydrophobicContact CE1-CD2 4.1Å; Y426-Y430 HydrophobicContact CE1-CG 4.37Å; Y426-Y430 AromaticContact CE2-CD2 3.44Å; Y426-Y430 HydrophobicContact CE2-CD2 3.44Å; Y426-Y430 VanDerWaalsContact CE2-CD2 3.44Å; Y426-Y430 AromaticContact CE2-CE2 3.63Å; Y426-Y430 HydrophobicContact CE2-CE2 3.63Å; Y426-Y430 HydrophobicContact CE2-CG 4.21Å; Y426-Y430 AromaticContact CG-CD2 3.95Å; Y426-Y430 HydrophobicContact CG-CD2 3.95Å; Y426-Y430 AromaticContact CZ-CD2 3.71Å; Y426-Y430 WeakPolarHBondContact O-CD2 3.46Å; Y426-Y430 PolarHBondContact O-N 3.18Å; Y426-G432 WeakPolarHBondContact CD1-O 3.37Å; Y426-G432 WeakPolarHBondContact CE1-O 3.37Å; Y426-K434 HydrophobicContact CD1-CG 3.83Å; Y426-K434 HydrophobicContact CD2-CG 4.09Å; Y426-K434 HydrophobicContact CE1-CG 3.76Å; Y426-K434 HydrophobicContact CE2-CG 4.01Å; Y426-K434 HydrophobicContact CG-CG 4.01Å
427	W	90.9	Very high	88.2	Confident	1 Å²	1	44.4 Å²	44.4	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-60.1	-39.9	178.2	178.4	77.1	0	0	0	112.1	T23 P25 W410 L419 C423 W424 R429 G431 L433 F442	T23-W427 WeakPolarHBondContact O-CH2 3.44Å; P25-W427 HydrophobicContact CG-CD2 4.1Å; P25-W427 HydrophobicContact CG-CE3 4.41Å; P25-W427 HydrophobicContact CG-CH2 3.93Å; P25-W427 HydrophobicContact CG-CZ2 3.55Å; P25-W427 HydrophobicContact CG-CZ3 4.33Å; W410-W427 AromaticContact CD1-CD2 3.7Å; W410-W427 AromaticContact CD1-CE2 3.66Å; W410-W427 AromaticContact CD1-CZ2 3.98Å; W410-W427 AromaticContact CE2-NE1 3.96Å; W410-W427 AromaticContact NE1-CD1 3.36Å; W410-W427 AromaticContact NE1-CD2 3.48Å; W410-W427 AromaticContact NE1-CE2 3.12Å; W410-W427 AromaticContact NE1-CG 3.61Å; W410-W427 AromaticContact NE1-CZ2 3.67Å; W410-W427 AromaticContact NE1-NE1 3.06Å; L419-W427 HydrophobicContact CD1-CB 4.11Å; L419-W427 HydrophobicContact CD1-CG 4.42Å; C423-W427 VanDerWaalsContact O-CB 3.28Å; C423-W427 WeakPolarHBondContact O-CB 3.44Å; C423-W427 PolarHBondContact O-N 3.42Å; W424-W427 HydrophobicContact CE3-CE3 4.16Å; W424-W427 HydrophobicContact CE3-CZ3 4.45Å; W424-W427 HydrophobicContact CH2-CE3 4.16Å; W424-W427 AromaticContact CH2-CZ3 3.64Å; W424-W427 HydrophobicContact CH2-CZ3 3.64Å; W424-W427 HydrophobicContact CZ2-CZ3 4.17Å; W424-W427 AromaticContact CZ3-CE3 3.97Å; W424-W427 HydrophobicContact CZ3-CE3 3.97Å; W424-W427 AromaticContact CZ3-CZ3 3.82Å; W424-W427 HydrophobicContact CZ3-CZ3 3.82Å; W424-W427 PolarHBondContact O-N 3.09Å; W427-R429 VanDerWaalsContact C-N 3.31Å; W427-R429 PolarHBondContact O-N 3.17Å; W427-G431 WeakPolarHBondContact O-CA 3.46Å; W427-G431 PolarHBondContact O-N 2.86Å; W427-L433 HydrophobicContact CB-CD2 4.01Å; W427-L433 HydrophobicContact CG-CD2 4.19Å; W427-F442 HydrophobicContact CH2-CZ 4.44Å; W427-F442 AromaticContact CZ2-CE1 3.87Å; W427-F442 HydrophobicContact CZ2-CE1 3.87Å; W427-F442 HydrophobicContact CZ2-CZ 4.08Å
428	K	90.3	Very high	87.9	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.009	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-36.2	174.7	-73.7	-70.5	-67.8	-167.7	0	112.3	E19 S22 A24 Y26 W424 S425 Y426	E19-K428 IonicContact OE1-NZ 2.79Å; E19-K428 PolarHBondContact OE1-NZ 3.42Å; S22-K428 PolarHBondContact O-NZ 3.46Å; A24-K428 PolarHBondContact O-NZ 2.9Å; Y26-K428 WeakPolarHBondContact CB-O 3.29Å; Y26-K428 HydrophobicContact CD2-CB 4Å; Y26-K428 WeakPolarHBondContact CD2-O 3.31Å; Y26-K428 HydrophobicContact CE2-CB 3.75Å; Y26-K428 PolarHBondContact N-O 3.31Å; W424-K428 HydrophobicContact CD2-CG 4.47Å; W424-K428 HydrophobicContact CZ2-CD 3.97Å; W424-K428 HydrophobicContact CZ2-CG 4.23Å; W424-K428 WeakPolarHBondContact O-CG 3.4Å; W424-K428 PolarHBondContact O-N 2.99Å; S425-K428 PolarHBondContact O-N 2.79Å; Y426-K428 VanDerWaalsContact C-N 3.31Å; Y426-K428 PolarHBondContact O-N 3.29Å
429	R	89.5	Confident	87.5	Confident	128 Å²	128	54 Å²	54	48%	0.483	24%	0.237	S	C	.	.	H	α-helix	trans	-82.2	-35.8	-178	-71.4	-177.5	-174.3	-169.8	2.4	114.4	Y17 Y26 R51 S425 Y426 W427	Y17-R429 HydrophobicContact CD2-CG 4.33Å; Y17-R429 HydrophobicContact CE1-CB 4.28Å; Y17-R429 HydrophobicContact CE1-CG 4.44Å; Y17-R429 HydrophobicContact CE2-CB 4.3Å; Y17-R429 HydrophobicContact CE2-CG 3.7Å; Y26-R429 HydrophobicContact CD2-CG 4.41Å; R51-R429 PolarHBondContact NH2-O 2.97Å; S425-R429 WeakPolarHBondContact O-CG 3.44Å; S425-R429 PolarHBondContact O-N 3.2Å; S425-R429 VanDerWaalsContact O-N 3.1Å; Y426-R429 PolarHBondContact O-N 3.2Å; W427-R429 VanDerWaalsContact C-N 3.31Å; W427-R429 PolarHBondContact O-N 3.17Å
430	Y	86.6	Confident	86.7	Confident	66 Å²	66	55.4 Å²	55.4	26%	0.259	24%	0.244	S	C	.	.	H	α-helix	trans	-111.4	-19.7	-172	-66.7	-75.4	0	0	0	113.7	R51 H117 Y426 G432	R51-Y430 VanDerWaalsContact CD-O 3.24Å; R51-Y430 WeakPolarHBondContact CD-O 3.5Å; R51-Y430 PolarHBondContact NE-O 2.9Å; H117-Y430 HydrophobicContact CB-CD1 4.29Å; Y426-Y430 HydrophobicContact CD1-CD2 4.21Å; Y426-Y430 AromaticContact CD2-CD2 3.56Å; Y426-Y430 HydrophobicContact CD2-CD2 3.56Å; Y426-Y430 AromaticContact CD2-CE2 3.76Å; Y426-Y430 HydrophobicContact CD2-CE2 3.76Å; Y426-Y430 HydrophobicContact CE1-CD2 4.1Å; Y426-Y430 HydrophobicContact CE1-CG 4.37Å; Y426-Y430 AromaticContact CE2-CD2 3.44Å; Y426-Y430 HydrophobicContact CE2-CD2 3.44Å; Y426-Y430 VanDerWaalsContact CE2-CD2 3.44Å; Y426-Y430 AromaticContact CE2-CE2 3.63Å; Y426-Y430 HydrophobicContact CE2-CE2 3.63Å; Y426-Y430 HydrophobicContact CE2-CG 4.21Å; Y426-Y430 AromaticContact CG-CD2 3.95Å; Y426-Y430 HydrophobicContact CG-CD2 3.95Å; Y426-Y430 AromaticContact CZ-CD2 3.71Å; Y426-Y430 WeakPolarHBondContact O-CD2 3.46Å; Y426-Y430 PolarHBondContact O-N 3.18Å; Y430-G432 VanDerWaalsContact C-N 3.26Å; Y430-G432 PolarHBondContact O-N 3.45Å
431	G	84.8	Confident	85.8	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.01	26%	0.259	C	S	.	.	S	Bend	trans	76.3	6.4	179.7	0	0	0	0	0	115.8	R53 W427	R53-G431 PolarHBondContact NH1-O 3.1Å; W427-G431 WeakPolarHBondContact O-CA 3.46Å; W427-G431 PolarHBondContact O-N 2.86Å
432	G	85.1	Confident	84.9	Confident	2 Å²	2	55.7 Å²	55.7	2%	0.021	25%	0.247	C	C	.	.	S	Bend	trans	-135.5	171.6	172.8	0	0	0	0	0	111.4	Y426 Y430	Y426-G432 WeakPolarHBondContact CD1-O 3.37Å; Y426-G432 WeakPolarHBondContact CE1-O 3.37Å; Y430-G432 VanDerWaalsContact C-N 3.26Å; Y430-G432 PolarHBondContact O-N 3.45Å
433	L	87.1	Confident	83.7	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	23%	0.23	C	C	.	.			trans	-91.9	158.7	173.7	-62.9	-172.5	0	0	0	109.6	H113 H117 W410 L419 W427 R435 H437 E440	H113-L433 PolarHBondContact NE2-O 3.16Å; H113-L433 VanDerWaalsContact NE2-O 3.09Å; H117-L433 PolarHBondContact NE2-O 2.95Å; W410-L433 HydrophobicContact CD2-CD1 4.5Å; W410-L433 HydrophobicContact CE3-CD1 4.23Å; W410-L433 HydrophobicContact CH2-CD1 3.46Å; W410-L433 VanDerWaalsContact CH2-CD1 3.46Å; W410-L433 HydrophobicContact CH2-CG 4.05Å; W410-L433 HydrophobicContact CZ2-CD1 3.76Å; W410-L433 HydrophobicContact CZ2-CD2 4.21Å; W410-L433 HydrophobicContact CZ2-CG 3.85Å; W410-L433 HydrophobicContact CZ3-CD1 3.7Å; L419-L433 HydrophobicContact CD1-CD2 3.64Å; L419-L433 HydrophobicContact CD2-CD1 4.14Å; L419-L433 HydrophobicContact CD2-CD2 3.78Å; L419-L433 HydrophobicContact CG-CD2 4.38Å; W427-L433 HydrophobicContact CB-CD2 4.01Å; W427-L433 HydrophobicContact CG-CD2 4.19Å; L433-R435 WeakPolarHBondContact CB-O 3.39Å; L433-R435 PolarHBondContact O-N 3Å; L433-H437 HydrophobicContact CD1-CB 3.88Å; L433-E440 PolarHBondContact N-OE1 3.06Å; L433-E440 VanDerWaalsContact N-OE1 3.08Å
434	K	85.2	Confident	82.3	Confident	88 Å²	88	58.5 Å²	58.5	38%	0.383	25%	0.253	S	S	.	.	S	Bend	trans	-61.1	-32.5	177.6	-65.6	-176.6	176.3	-176.8	0	111.9	L114 S398 Y426	L114-K434 HydrophobicContact CD2-CB 4.45Å; S398-K434 PolarHBondContact OG-N 3.43Å; Y426-K434 HydrophobicContact CD1-CG 3.83Å; Y426-K434 HydrophobicContact CD2-CG 4.09Å; Y426-K434 HydrophobicContact CE1-CG 3.76Å; Y426-K434 HydrophobicContact CE2-CG 4.01Å; Y426-K434 HydrophobicContact CG-CG 4.01Å
435	R	82.8	Confident	80.4	Confident	121 Å²	121	62.4 Å²	62.4	46%	0.457	27%	0.273	S	S	.	.	S	Bend	trans	-109.6	138.7	173.1	-62.1	-176.1	-170.5	170.4	8	108.8	S398 L433 H437	S398-R435 WeakPolarHBondContact O-CD 3.42Å; L433-R435 WeakPolarHBondContact CB-O 3.39Å; L433-R435 PolarHBondContact O-N 3Å; R435-H437 PolarHBondContact O-N 3.08Å
436	K	80.3	Confident	77.9	Confident	138 Å²	138	64.6 Å²	64.6	60%	0.6	29%	0.289	S	S	*	.			trans	-50.7	131.9	175.3	-77.6	-172.2	177.7	-166	0	110.3	H113	H113-K436 HydrophobicContact CB-CG 4.18Å; H113-K436 VanDerWaalsContact CE1-CG 3.44Å; H113-K436 WeakPolarHBondContact CE1-CG 3.49Å; H113-K436 WeakPolarHBondContact ND1-CE 3.47Å; H113-K436 VanDerWaalsContact ND1-CG 3.29Å; H113-K436 WeakPolarHBondContact ND1-CG 3.31Å
437	H	83.6	Confident	75	Confident	24 Å²	24	64.1 Å²	64.1	11%	0.111	30%	0.296	C	S	.	.			trans	-133.7	137.9	178.3	-166.9	-95.2	0	0	0	110.7	E397 W410 L433 R435 Y439 E440	E397-H437 VanDerWaalsContact CG-CD2 3.47Å; E397-H437 WeakPolarHBondContact CG-CD2 3.49Å; E397-H437 WeakPolarHBondContact CG-NE2 3.38Å; E397-H437 IonicContact OE1-CD2 3.84Å; E397-H437 IonicContact OE1-NE2 3.34Å; E397-H437 PolarHBondContact OE1-NE2 2.87Å; W410-H437 HydrophobicContact CH2-CB 4.14Å; W410-H437 AromaticContact CH2-CG 3.93Å; W410-H437 AromaticContact CH2-ND1 3.37Å; W410-H437 WeakPolarHBondContact CH2-ND1 3.22Å; W410-H437 AromaticContact CZ3-CE1 3.68Å; W410-H437 AromaticContact CZ3-ND1 3.32Å; W410-H437 VanDerWaalsContact CZ3-ND1 3.32Å; W410-H437 WeakPolarHBondContact CZ3-ND1 3.31Å; L433-H437 HydrophobicContact CD1-CB 3.88Å; R435-H437 PolarHBondContact O-N 3.08Å; H437-Y439 AromaticContact CE1-CD2 3.64Å; H437-Y439 PolarHBondContact ND1-N 3.06Å; H437-Y439 PolarHBondContact O-N 3.47Å; H437-E440 HydrophobicContact CB-CG 4.04Å; H437-E440 WeakPolarHBondContact O-CB 3.28Å; H437-E440 WeakPolarHBondContact O-CG 2.86Å; H437-E440 PolarHBondContact O-N 3.34Å
438	K	81.6	Confident	72.1	Confident	175 Å²	175	69.4 Å²	69.4	76%	0.761	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-26	-179.3	46.1	-178.1	171.6	-179.3	0	114.7
439	Y	80	Confident	69.1	Low	89 Å²	89	77 Å²	77	35%	0.349	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	19.9	178.3	-63.6	-60.4	0	0	0	113.8	P412 A415 L417 H437 N441 F442	P412-Y439 HydrophobicContact CG-CD1 3.9Å; P412-Y439 HydrophobicContact CG-CE1 4.18Å; P412-Y439 HydrophobicContact CG-CG 4.29Å; A415-Y439 HydrophobicContact CB-CE2 4.12Å; L417-Y439 HydrophobicContact CD1-CD2 3.71Å; L417-Y439 HydrophobicContact CD1-CE2 4.35Å; H437-Y439 AromaticContact CE1-CD2 3.64Å; H437-Y439 PolarHBondContact ND1-N 3.06Å; H437-Y439 PolarHBondContact O-N 3.47Å; Y439-N441 PolarHBondContact O-N 3.11Å; Y439-N441 VanDerWaalsContact O-N 3.11Å; Y439-F442 VanDerWaalsContact O-CB 3.32Å; Y439-F442 WeakPolarHBondContact O-CB 3.26Å; Y439-F442 WeakPolarHBondContact O-CD1 3.45Å; Y439-F442 PolarHBondContact O-N 2.97Å
440	E	75.1	Confident	66.2	Low	31 Å²	31	77 Å²	77	15%	0.145	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.8	-179.4	-86	-179.4	144.4	0	0	114.2	H113 L433 H437	H113-E440 IonicContact CE1-OE1 2.68Å; H113-E440 PolarHBondContact CE1-OE1 3.28Å; H113-E440 IonicContact CE1-OE2 3.48Å; H113-E440 PolarHBondContact CE1-OE2 3.08Å; H113-E440 IonicContact NE2-OE1 3.73Å; H113-E440 PolarHBondContact NE2-OE1 3.34Å; H113-E440 IonicContact NE2-OE2 2.7Å; L433-E440 PolarHBondContact N-OE1 3.06Å; L433-E440 VanDerWaalsContact N-OE1 3.08Å; H437-E440 HydrophobicContact CB-CG 4.04Å; H437-E440 WeakPolarHBondContact O-CB 3.28Å; H437-E440 WeakPolarHBondContact O-CG 2.86Å; H437-E440 PolarHBondContact O-N 3.34Å
441	N	72.8	Confident	63.5	Low	65 Å²	65	79.1 Å²	79.1	35%	0.348	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	17.6	178.5	-67.7	-47	0	0	0	113.9	Y439 D443 R444 I445	Y439-N441 PolarHBondContact O-N 3.11Å; Y439-N441 VanDerWaalsContact O-N 3.11Å; N441-D443 PolarHBondContact O-N 3.08Å; N441-R444 PolarHBondContact O-N 3.28Å; N441-I445 HydrophobicContact CB-CD1 4.42Å; N441-I445 WeakPolarHBondContact O-CG1 3.48Å; N441-I445 PolarHBondContact O-N 3.21Å
442	F	71.8	Confident	60.7	Low	25 Å²	25	88.7 Å²	88.7	11%	0.11	44%	0.441	C	S	.	.	H	α-helix	trans	-60.1	-32.2	-174.8	79.7	-77.9	0	0	0	114.3	W410 G411 P412 W427 Y439 R444 I445 S446	W410-F442 AromaticContact CD1-CE1 3.95Å; W410-F442 HydrophobicContact CD2-CE1 4.26Å; W410-F442 AromaticContact CE2-CE1 3.65Å; W410-F442 HydrophobicContact CG-CE1 4.42Å; W410-F442 HydrophobicContact CZ2-CD1 4.14Å; W410-F442 HydrophobicContact CZ2-CE1 4.01Å; W410-F442 AromaticContact NE1-CE1 3.48Å; G411-F442 VanDerWaalsContact CA-CD2 3.42Å; G411-F442 VanDerWaalsContact N-CZ 3.25Å; G411-F442 VanDerWaalsContact O-CE2 3.26Å; G411-F442 WeakPolarHBondContact O-CE2 3.4Å; P412-F442 HydrophobicContact CG-CB 3.91Å; P412-F442 HydrophobicContact CG-CD2 4.42Å; P412-F442 HydrophobicContact CG-CG 4.5Å; W427-F442 HydrophobicContact CH2-CZ 4.44Å; W427-F442 AromaticContact CZ2-CE1 3.87Å; W427-F442 HydrophobicContact CZ2-CE1 3.87Å; W427-F442 HydrophobicContact CZ2-CZ 4.08Å; Y439-F442 VanDerWaalsContact O-CB 3.32Å; Y439-F442 WeakPolarHBondContact O-CB 3.26Å; Y439-F442 WeakPolarHBondContact O-CD1 3.45Å; Y439-F442 PolarHBondContact O-N 2.97Å; F442-R444 PolarHBondContact O-N 3.1Å; F442-I445 PolarHBondContact O-N 3.03Å; F442-S446 PolarHBondContact O-N 2.97Å; F442-S446 PolarHBondContact O-OG 3.48Å
443	D	67	Low	58	Low	44 Å²	44	93.3 Å²	93.3	24%	0.235	47%	0.473	C	S	.	.	H	α-helix	trans	-65	-22.7	177.9	59.6	-19.3	0	0	0	111.7	P25 R53 N441	P25-D443 WeakPolarHBondContact CD-OD2 3.33Å; R53-D443 IonicContact CZ-OD2 3.18Å; R53-D443 IonicContact NH1-OD1 3.78Å; R53-D443 IonicContact NH1-OD2 2.64Å; R53-D443 PolarHBondContact NH1-OD2 2.91Å; R53-D443 IonicContact NH2-OD2 2.86Å; R53-D443 PolarHBondContact NH2-OD2 3.29Å; N441-D443 PolarHBondContact O-N 3.08Å
444	R	63.7	Low	55.3	Low	129 Å²	129	99.7 Å²	99.7	49%	0.487	51%	0.512	S	S	.	.	H	α-helix	trans	-89.9	-26.2	174.1	-48.8	-164.9	95.1	-167.2	11	113.6	R53 D54 I55 N441 F442	R53-R444 WeakPolarHBondContact O-CD 3.38Å; R53-R444 PolarHBondContact O-NE 3.02Å; R53-R444 VanDerWaalsContact O-NE 3.08Å; R53-R444 PolarHBondContact O-NH1 2.89Å; R53-R444 PolarHBondContact O-NH2 3Å; D54-R444 PolarHBondContact O-NH2 3.47Å; I55-R444 PolarHBondContact O-NH1 2.78Å; N441-R444 PolarHBondContact O-N 3.28Å; F442-R444 PolarHBondContact O-N 3.1Å
445	I	50.9	Low	52.6	Low	95 Å²	95	101.3 Å²	101.3	49%	0.487	53%	0.531	S	S	.	.	H	α-helix	trans	-92.9	-16.2	-170.4	-59.9	169.3	0	0	0	112.1	N441 F442 G447 Q449	N441-I445 HydrophobicContact CB-CD1 4.42Å; N441-I445 WeakPolarHBondContact O-CG1 3.48Å; N441-I445 PolarHBondContact O-N 3.21Å; F442-I445 PolarHBondContact O-N 3.03Å; I445-G447 PolarHBondContact O-N 2.82Å; I445-Q449 VanDerWaalsContact CG2-NE2 3.29Å
446	S	36.4	Very low	50	Low	95 Å²	95	100.6 Å²	100.6	66%	0.664	55%	0.551	S	S	*	*			trans	-77.6	58.6	-179.1	-62.4	0	0	0	0	113.4	F442	F442-S446 PolarHBondContact O-N 2.97Å; F442-S446 PolarHBondContact O-OG 3.48Å
447	G	30.3	Very low	47.6	Very low	28 Å²	28	98.9 Å²	98.9	29%	0.289	56%	0.563	S	S	.	*	S	Bend	trans	-133.7	152.7	155.7	0	0	0	0	0	108	I445 Q449	I445-G447 PolarHBondContact O-N 2.82Å; G447-Q449 PolarHBondContact O-N 3.25Å; G447-Q449 VanDerWaalsContact O-N 3.15Å
448	P	29.4	Very low	44.9	Very low	112 Å²	112	100.8 Å²	100.8	73%	0.727	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-54.7	122.4	-161.8	20.2	-32.4	0	0	0	112
449	Q	26.8	Very low	42.5	Very low	160 Å²	160	102.4 Å²	102.4	75%	0.748	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-72.4	131.8	171	-64.1	-161.6	-13.3	0	0	108.5	I445 G447	I445-Q449 VanDerWaalsContact CG2-NE2 3.29Å; G447-Q449 PolarHBondContact O-N 3.25Å; G447-Q449 VanDerWaalsContact O-N 3.15Å
450	L	29.6	Very low	40	Very low	129 Å²	129	102.1 Å²	102.1	68%	0.675	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-101.9	144	163.5	-86.5	159.3	0	0	0	107.8
451	P	30	Very low	37.6	Very low	111 Å²	111	105.5 Å²	105.5	72%	0.721	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-68.6	142.6	-168.4	-11.6	27	0	0	0	111.9	S453	P451-S453 PolarHBondContact O-N 3.27Å
452	E	25.8	Very low	35.6	Very low	202 Å²	202	108.6 Å²	108.6	94%	0.944	68%	0.683	S	S	*	*			trans	-77.9	101	172	-169.3	162.2	-164.8	0	0	109.1
453	S	29	Very low	33.4	Very low	98 Å²	98	116.5 Å²	116.5	69%	0.685	72%	0.717	S	S	*	*			trans	-159.1	119.6	159.4	55.8	0	0	0	0	109.2	P451	P451-S453 PolarHBondContact O-N 3.27Å
454	V	29.8	Very low	31.8	Very low	135 Å²	135	121.4 Å²	121.4	82%	0.818	75%	0.748	S	S	*	*				171.9	135.5	123.2	174	0	0	0	0	108
455	P	27.6	Very low	30.2	Very low	121 Å²	121	122.4 Å²	122.4	79%	0.786	76%	0.764	S	S	*	*			trans	-84.6	171.5	-170.3	4.3	16.5	0	0	0	113.6
456	A	29.5	Very low	29	Very low	106 Å²	106	121.4 Å²	121.4	88%	0.876	78%	0.777	S	S	*	*			trans	-55.5	137.9	-178.1	0	0	0	0	0	116.2
457	A	29	Very low	28.6	Very low	103 Å²	103	128 Å²	128	85%	0.851	79%	0.787	S	S	*	*			trans	-158.7	117.5	146.6	0	0	0	0	0	104.7
458	G	26	Very low	28.5	Very low	63 Å²	63	133.3 Å²	133.3	65%	0.649	81%	0.814	S	S	*	*			cis	111	106.6	49.8	0	0	0	0	0	106.2
459	Q	31.5	Very low	28.4	Very low	209 Å²	209	132.1 Å²	132.1	98%	0.977	82%	0.822	S	S	*	*			trans	168.7	124.3	148.1	-93	161.9	59	0	0	112.4
460	G	27.6	Very low	28.4	Very low	83 Å²	83	127.4 Å²	127.4	86%	0.856	82%	0.817	S	S	*	*			trans	108.4	56.3	138.7	0	0	0	0	0	119
461	A	25.6	Very low	28.5	Very low	103 Å²	103	131 Å²	131	85%	0.851	83%	0.83	S	S	*	*			trans	-87.8	122.3	160.7	0	0	0	0	0	110.4
462	S	30.9	Very low	28.6	Very low	129 Å²	129	132.1 Å²	132.1	90%	0.902	84%	0.835	S	S	*	*			trans	-113	115.2	158.3	-85.5	0	0	0	0	109.4
463	K	26	Very low	29.6	Very low	191 Å²	191	128 Å²	128	83%	0.83	82%	0.816	S	S	*	*			trans	-60.8	138.6	172.7	-75.1	171	169.4	174.7	0	111.2
464	V	31.9	Very low	30.6	Very low	147 Å²	147	134 Å²	134	89%	0.891	82%	0.824	S	S	*	*			trans	-137.2	128	139.3	176.2	0	0	0	0	108.8
465	N	29.8	Very low	32.3	Very low	151 Å²	151	135.4 Å²	135.4	81%	0.807	82%	0.815	S	S	*	*			trans	-67.2	153.8	-177.1	-85.5	-17.4	0	0	0	113.5
466	G	25.7	Very low	34.6	Very low	74 Å²	74	132.3 Å²	132.3	76%	0.763	79%	0.791	S	S	*	*			trans	-75.2	176.8	-172.3	0	0	0	0	0	117.3
467	R	28.3	Very low	37	Very low	233 Å²	233	134.5 Å²	134.5	88%	0.879	78%	0.777	S	S	*	*			trans	-170.2	135	140.2	-104.9	167.7	-177.8	-176.4	0.2	109.4
468	T	29.1	Very low	39.6	Very low	139 Å²	139	130 Å²	130	85%	0.853	74%	0.739	S	S	*	*			trans	71	133.3	148.1	56	0	0	0	0	119.9
469	G	27.1	Very low	42	Very low	87 Å²	87	131.9 Å²	131.9	90%	0.897	75%	0.748	S	S	*	*			trans	-66.2	164.5	-171.3	0	0	0	0	0	116.5
470	G	27.4	Very low	44	Very low	62 Å²	62	124.9 Å²	124.9	64%	0.639	72%	0.72	S	S	*	*			trans	149.6	128.2	-180	0	0	0	0	0	108.6	V472	G470-V472 WeakPolarHBondContact O-CG2 3.46Å; G470-V472 PolarHBondContact O-N 3.08Å
471	E	30.8	Very low	46.1	Very low	203 Å²	203	125.9 Å²	125.9	95%	0.949	72%	0.72	S	S	*	*			trans	-46.4	109.1	177	-80.2	176.8	113.4	0	0	111.6	M473	E471-M473 PolarHBondContact O-N 2.7Å
472	V	32.8	Very low	48.3	Very low	136 Å²	136	124.4 Å²	124.4	82%	0.824	72%	0.715	S	S	*	*			trans	-83.2	92.5	177.5	-173.5	0	0	0	0	108.5	G470 R474	G470-V472 WeakPolarHBondContact O-CG2 3.46Å; G470-V472 PolarHBondContact O-N 3.08Å; V472-R474 PolarHBondContact O-N 2.87Å; V472-R474 VanDerWaalsContact O-N 3.08Å
473	M	45.3	Very low	50.7	Low	114 Å²	114	119.3 Å²	119.3	56%	0.562	68%	0.679	S	S	*	*			trans	-52.3	113.3	166.6	-159	81.8	-174.2	0	0	108.7	E471 W475	E471-M473 PolarHBondContact O-N 2.7Å; M473-W475 PolarHBondContact O-N 2.81Å; M473-W475 PolarHBondContact O-NE1 2.86Å
474	R	50.7	Low	53.3	Low	225 Å²	225	115.3 Å²	115.3	85%	0.849	67%	0.667	S	S	*	*			trans	-75.9	100.6	-176.9	-170	177.5	179.5	-175.3	0.2	109.9	V472	V472-R474 PolarHBondContact O-N 2.87Å; V472-R474 VanDerWaalsContact O-N 3.08Å
475	W	64.8	Low	55.7	Low	164 Å²	164	112.9 Å²	112.9	62%	0.621	64%	0.644	S	S	*	*			trans	-62.3	135.2	174.9	-60.7	84.4	0	0	0	111.9	M473 N486 F487	M473-W475 PolarHBondContact O-N 2.81Å; M473-W475 PolarHBondContact O-NE1 2.86Å; W475-N486 HydrophobicContact CB-CB 4.24Å; W475-N486 HydrophobicContact CE3-CB 3.97Å; W475-F487 CarbonylContact C-O 3.03Å; W475-F487 WeakPolarHBondContact CA-O 3.22Å
476	I	76.7	Confident	58.3	Low	57 Å²	57	109.3 Å²	109.3	29%	0.292	63%	0.625	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.5	120	177	-44.8	172.9	0	0	0	108.5	N486 F487 L493	I476-N486 CarbonylContact O-C 3.47Å; I476-N486 WeakPolarHBondContact O-CA 3.28Å; I476-F487 PolarHBondContact N-O 3.06Å; I476-F487 PolarHBondContact O-N 2.87Å; I476-L493 HydrophobicContact CG2-CD2 3.66Å
477	R	81	Confident	61.2	Low	152 Å²	152	107.3 Å²	107.3	57%	0.574	60%	0.595	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.1	143.4	-177.6	-173.2	175.7	-127.4	165.3	-1.5	111.9	A479 N486	R477-A479 PolarHBondContact O-N 3.23Å; R477-N486 WeakPolarHBondContact CB-OD1 3.38Å; R477-N486 WeakPolarHBondContact CG-OD1 3.32Å
478	C	81.8	Confident	63.4	Low	7 Å²	7	98.3 Å²	98.3	5%	0.047	57%	0.568	C	S	.	*			trans	-63.6	128.5	168.4	-177.4	0	0	0	0	111.2	V480 C483 K485 F487 L493 H496 H501	C478-V480 VanDerWaalsContact C-N 3.3Å; C478-V480 PolarHBondContact O-N 2.96Å; C478-V480 PolarHBondContact SG-N 2.79Å; C478-C483 HydrophobicContact CB-CB 4.07Å; C478-K485 PolarHBondContact N-O 3.36Å; C478-F487 HydrophobicContact CB-CE2 4.27Å; C478-L493 HydrophobicContact CB-CD1 4.3Å; C478-H496 WeakPolarHBondContact CB-NE2 3.32Å; C478-H496 PolarHBondContact SG-NE2 2.62Å; C478-H501 PolarHBondContact SG-CD2 3.01Å; C478-H501 PolarHBondContact SG-NE2 3.45Å
479	A	77	Confident	65.7	Low	103 Å²	103	94.3 Å²	94.3	85%	0.851	54%	0.544	S	S	*	.			trans	-80.4	-5	-178.6	0	0	0	0	0	114.2	R477 A481	R477-A479 PolarHBondContact O-N 3.23Å; A479-A481 PolarHBondContact O-N 3.01Å
480	V	74.4	Confident	67.9	Low	62 Å²	62	94.3 Å²	94.3	38%	0.376	53%	0.527	S	S	.	.	S	Bend	trans	-74.8	122.9	178.8	-179.2	0	0	0	0	109.7	C478 G482 C483 L497 H501	C478-V480 VanDerWaalsContact C-N 3.3Å; C478-V480 PolarHBondContact O-N 2.96Å; C478-V480 PolarHBondContact SG-N 2.79Å; V480-G482 PolarHBondContact O-N 3.18Å; V480-C483 HydrophobicContact CB-CB 4.36Å; V480-C483 WeakPolarHBondContact O-CB 3.4Å; V480-C483 PolarHBondContact O-N 3.25Å; V480-L497 HydrophobicContact CG2-CD2 4.05Å; V480-H501 HydrophobicContact CG2-CB 3.95Å
481	A	70.1	Confident	70.1	Confident	105 Å²	105	97.8 Å²	97.8	87%	0.868	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	125.7	179.8	0	0	0	0	0	110.8	A479	A479-A481 PolarHBondContact O-N 3.01Å
482	G	72.4	Confident	72.5	Confident	72 Å²	72	91.4 Å²	91.4	74%	0.742	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	-6.5	-179.4	0	0	0	0	0	116.2	V480	V480-G482 PolarHBondContact O-N 3.18Å
483	C	81.4	Confident	74.9	Confident	22 Å²	22	86.1 Å²	86.1	15%	0.149	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-44.8	-179.6	-180	0	0	0	0	114.2	C478 V480 K485 H496 H501	C478-C483 HydrophobicContact CB-CB 4.07Å; V480-C483 HydrophobicContact CB-CB 4.36Å; V480-C483 WeakPolarHBondContact O-CB 3.4Å; V480-C483 PolarHBondContact O-N 3.25Å; C483-K485 PolarHBondContact O-N 3.28Å; C483-K485 VanDerWaalsContact SG-CG 3.57Å; C483-H496 PolarHBondContact SG-CE1 2.92Å; C483-H496 PolarHBondContact SG-NE2 3.34Å; C483-H501 VanDerWaalsContact CB-CE1 3.46Å; C483-H501 WeakPolarHBondContact CB-CE1 3.28Å; C483-H501 VanDerWaalsContact CB-NE2 3.28Å; C483-H501 WeakPolarHBondContact CB-NE2 3.44Å; C483-H501 PolarHBondContact SG-NE2 3.48Å
484	N	81.5	Confident	76.2	Confident	107 Å²	107	84 Å²	84	57%	0.572	46%	0.456	S	S	*	.			trans	53.2	8.5	-178.7	-66.5	-37.3	0	0	0	117.6
485	K	82.3	Confident	77.5	Confident	95 Å²	95	77.7 Å²	77.7	41%	0.413	44%	0.436	S	S	.	.			trans	-77.4	144.3	177.9	-63.5	-174.5	-163.1	-179.3	0	111.9	C478 C483 F487 D500	C478-K485 PolarHBondContact N-O 3.36Å; C483-K485 PolarHBondContact O-N 3.28Å; C483-K485 VanDerWaalsContact SG-CG 3.57Å; K485-F487 HydrophobicContact CB-CE2 3.86Å; K485-F487 HydrophobicContact CB-CZ 3.73Å; K485-F487 HydrophobicContact CD-CZ 4.45Å; K485-D500 IonicContact NZ-OD2 3.53Å; K485-D500 PolarHBondContact NZ-OD2 3.23Å
486	N	82.9	Confident	78.3	Confident	77 Å²	77	70 Å²	70	41%	0.412	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	145.6	-178.4	-69.5	-16	0	0	0	110.7	W475 I476 R477	W475-N486 HydrophobicContact CB-CB 4.24Å; W475-N486 HydrophobicContact CE3-CB 3.97Å; I476-N486 CarbonylContact O-C 3.47Å; I476-N486 WeakPolarHBondContact O-CA 3.28Å; R477-N486 WeakPolarHBondContact CB-OD1 3.38Å; R477-N486 WeakPolarHBondContact CG-OD1 3.32Å
487	F	86.9	Confident	78.4	Confident	31 Å²	31	69.6 Å²	69.6	14%	0.136	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	142	-175.2	-58.3	-80	0	0	0	111.5	W475 I476 C478 K485 L492 L493 H496	W475-F487 CarbonylContact C-O 3.03Å; W475-F487 WeakPolarHBondContact CA-O 3.22Å; I476-F487 PolarHBondContact N-O 3.06Å; I476-F487 PolarHBondContact O-N 2.87Å; C478-F487 HydrophobicContact CB-CE2 4.27Å; K485-F487 HydrophobicContact CB-CE2 3.86Å; K485-F487 HydrophobicContact CB-CZ 3.73Å; K485-F487 HydrophobicContact CD-CZ 4.45Å; F487-L492 HydrophobicContact CB-CB 4.14Å; F487-L492 HydrophobicContact CD1-CB 3.86Å; F487-L492 HydrophobicContact CG-CB 4.34Å; F487-L493 HydrophobicContact CB-CB 4.16Å; F487-L493 HydrophobicContact CD2-CB 3.97Å; F487-L493 HydrophobicContact CD2-CD1 3.62Å; F487-L493 HydrophobicContact CD2-CG 4.41Å; F487-L493 HydrophobicContact CE2-CD1 3.92Å; F487-L493 HydrophobicContact CG-CB 4.12Å; F487-H496 HydrophobicContact CD1-CB 4.46Å; F487-H496 HydrophobicContact CE1-CB 3.54Å; F487-H496 AromaticContact CE1-CG 3.89Å; F487-H496 HydrophobicContact CE2-CB 3.94Å; F487-H496 AromaticContact CE2-CD2 3.22Å; F487-H496 WeakPolarHBondContact CE2-CD2 3.27Å; F487-H496 AromaticContact CE2-CG 3.63Å; F487-H496 AromaticContact CE2-NE2 3.85Å; F487-H496 HydrophobicContact CZ-CB 3.25Å; F487-H496 AromaticContact CZ-CD2 3.22Å; F487-H496 WeakPolarHBondContact CZ-CD2 3.1Å; F487-H496 AromaticContact CZ-CG 3.08Å; F487-H496 AromaticContact CZ-ND1 3.69Å; F487-H496 AromaticContact CZ-NE2 3.85Å
488	S	74.8	Confident	78	Confident	44 Å²	44	71.7 Å²	71.7	31%	0.308	41%	0.413	S	S	.	.	S	Bend	trans	-79.8	-18.1	179.5	54.2	0	0	0	0	113.7	L492	S488-L492 WeakPolarHBondContact OG-CD1 3.47Å
489	T	77.9	Confident	77.7	Confident	56 Å²	56	79.9 Å²	79.9	34%	0.344	44%	0.443	S	S	.	.	S	Bend	trans	-139.1	154.1	178.7	70	0	0	0	0	111.9	Q491 L492 L493	T489-Q491 PolarHBondContact O-N 3.4Å; T489-L492 PolarHBondContact O-N 3.22Å; T489-L492 WeakPolarHBondContact OG1-CG 3.32Å; T489-L492 PolarHBondContact OG1-N 3.27Å; T489-L493 PolarHBondContact O-N 2.92Å
490	T	73.8	Confident	77.5	Confident	87 Å²	87	77.6 Å²	77.6	53%	0.534	42%	0.417	S	S	.	.	H	α-helix	trans	-62.3	-27.1	175.2	-53.3	0	0	0	0	112.5	N494	T490-N494 PolarHBondContact O-N 3.23Å; T490-N494 VanDerWaalsContact O-N 3.11Å; T490-N494 PolarHBondContact O-ND2 3.46Å
491	Q	73.8	Confident	77.3	Confident	134 Å²	134	77 Å²	77	63%	0.626	41%	0.41	S	S	*	.	H	α-helix	trans	-69.6	-44.8	178.7	-164.2	171.3	-5.9	0	0	111.4	T489 L493 N494 Q495	T489-Q491 PolarHBondContact O-N 3.4Å; Q491-L493 PolarHBondContact O-N 3.04Å; Q491-N494 PolarHBondContact O-N 3.36Å; Q491-Q495 PolarHBondContact O-N 2.97Å
492	L	80.3	Confident	76.6	Confident	70 Å²	70	76.2 Å²	76.2	37%	0.366	40%	0.398	S	S	.	.	H	α-helix	trans	-64.2	-39.5	175.7	-71.9	169.1	0	0	0	112.4	F487 S488 T489 N494 Q495 H496	F487-L492 HydrophobicContact CB-CB 4.14Å; F487-L492 HydrophobicContact CD1-CB 3.86Å; F487-L492 HydrophobicContact CG-CB 4.34Å; S488-L492 WeakPolarHBondContact OG-CD1 3.47Å; T489-L492 PolarHBondContact O-N 3.22Å; T489-L492 WeakPolarHBondContact OG1-CG 3.32Å; T489-L492 PolarHBondContact OG1-N 3.27Å; L492-N494 VanDerWaalsContact C-N 3.34Å; L492-N494 PolarHBondContact O-N 3.42Å; L492-Q495 PolarHBondContact O-N 3.15Å; L492-H496 WeakPolarHBondContact O-CB 3.24Å; L492-H496 PolarHBondContact O-N 2.99Å
493	L	83.7	Confident	75.2	Confident	24 Å²	24	76.2 Å²	76.2	13%	0.126	39%	0.391	C	S	.	.	H	α-helix	trans	-59.2	-45.9	172.8	174	66	0	0	0	111.3	I476 C478 F487 T489 Q491 Q495 H496 L497	I476-L493 HydrophobicContact CG2-CD2 3.66Å; C478-L493 HydrophobicContact CB-CD1 4.3Å; F487-L493 HydrophobicContact CB-CB 4.16Å; F487-L493 HydrophobicContact CD2-CB 3.97Å; F487-L493 HydrophobicContact CD2-CD1 3.62Å; F487-L493 HydrophobicContact CD2-CG 4.41Å; F487-L493 HydrophobicContact CE2-CD1 3.92Å; F487-L493 HydrophobicContact CG-CB 4.12Å; T489-L493 PolarHBondContact O-N 2.92Å; Q491-L493 PolarHBondContact O-N 3.04Å; L493-Q495 VanDerWaalsContact C-N 3.32Å; L493-Q495 PolarHBondContact O-N 2.73Å; L493-H496 PolarHBondContact O-N 3.24Å; L493-L497 HydrophobicContact CD1-CD1 4.13Å; L493-L497 HydrophobicContact CD1-CG 4.2Å; L493-L497 HydrophobicContact CG-CD1 3.95Å; L493-L497 HydrophobicContact CG-CG 4.44Å; L493-L497 WeakPolarHBondContact O-CB 3.37Å; L493-L497 WeakPolarHBondContact O-CG 3.37Å; L493-L497 PolarHBondContact O-N 3.12Å
494	N	71.9	Confident	73	Confident	70 Å²	70	82.2 Å²	82.2	37%	0.374	42%	0.422	S	S	.	.	H	α-helix	trans	-66.3	-32.7	179.3	-79.7	-49.8	0	0	0	112.9	T490 Q491 L492 R498	T490-N494 PolarHBondContact O-N 3.23Å; T490-N494 VanDerWaalsContact O-N 3.11Å; T490-N494 PolarHBondContact O-ND2 3.46Å; Q491-N494 PolarHBondContact O-N 3.36Å; L492-N494 VanDerWaalsContact C-N 3.34Å; L492-N494 PolarHBondContact O-N 3.42Å; N494-R498 WeakPolarHBondContact O-CG 3.47Å; N494-R498 PolarHBondContact O-N 3.46Å
495	Q	77.5	Confident	70.7	Confident	92 Å²	92	86.9 Å²	86.9	43%	0.43	43%	0.433	S	S	.	.	H	α-helix	trans	-69.4	-44.3	174.5	-163.8	179.6	31.4	0	0	111	Q491 L492 L493 R498 R499	Q491-Q495 PolarHBondContact O-N 2.97Å; L492-Q495 PolarHBondContact O-N 3.15Å; L493-Q495 VanDerWaalsContact C-N 3.32Å; L493-Q495 PolarHBondContact O-N 2.73Å; Q495-R498 PolarHBondContact O-N 3.31Å; Q495-R499 WeakPolarHBondContact O-CB 3.45Å; Q495-R499 PolarHBondContact O-N 3.38Å
496	H	83.2	Confident	68.2	Low	4 Å²	4	85.8 Å²	85.8	2%	0.019	44%	0.442	C	S	.	.	H	α-helix	trans	-61.7	-44.3	174.3	160.4	69.7	0	0	0	113	C478 C483 F487 L492 L493 R498 R499 D500 H501	C478-H496 WeakPolarHBondContact CB-NE2 3.32Å; C478-H496 PolarHBondContact SG-NE2 2.62Å; C483-H496 PolarHBondContact SG-CE1 2.92Å; C483-H496 PolarHBondContact SG-NE2 3.34Å; F487-H496 HydrophobicContact CD1-CB 4.46Å; F487-H496 HydrophobicContact CE1-CB 3.54Å; F487-H496 AromaticContact CE1-CG 3.89Å; F487-H496 HydrophobicContact CE2-CB 3.94Å; F487-H496 AromaticContact CE2-CD2 3.22Å; F487-H496 WeakPolarHBondContact CE2-CD2 3.27Å; F487-H496 AromaticContact CE2-CG 3.63Å; F487-H496 AromaticContact CE2-NE2 3.85Å; F487-H496 HydrophobicContact CZ-CB 3.25Å; F487-H496 AromaticContact CZ-CD2 3.22Å; F487-H496 WeakPolarHBondContact CZ-CD2 3.1Å; F487-H496 AromaticContact CZ-CG 3.08Å; F487-H496 AromaticContact CZ-ND1 3.69Å; F487-H496 AromaticContact CZ-NE2 3.85Å; L492-H496 WeakPolarHBondContact O-CB 3.24Å; L492-H496 PolarHBondContact O-N 2.99Å; L493-H496 PolarHBondContact O-N 3.24Å; H496-R498 PolarHBondContact O-N 3.11Å; H496-R499 PolarHBondContact O-N 3.02Å; H496-D500 IonicContact CE1-OD2 4Å; H496-D500 PolarHBondContact CE1-OD2 3.41Å; H496-D500 IonicContact ND1-OD2 3.5Å; H496-D500 PolarHBondContact ND1-OD2 2.85Å; H496-D500 PolarHBondContact O-N 3.26Å; H496-H501 AromaticContact CD2-CD2 3.91Å; H496-H501 AromaticContact CE1-CD2 3.44Å; H496-H501 PolarHBondContact CE1-CD2 2.98Å; H496-H501 VanDerWaalsContact CE1-CD2 3.44Å; H496-H501 AromaticContact CE1-NE2 3.13Å; H496-H501 PolarHBondContact CE1-NE2 2.93Å; H496-H501 AromaticContact NE2-CD2 3.18Å; H496-H501 PolarHBondContact NE2-CD2 3.07Å; H496-H501 AromaticContact NE2-NE2 3.01Å; H496-H501 PolarHBondContact NE2-NE2 3.05Å
497	L	77.3	Confident	65.8	Low	47 Å²	47	90 Å²	90	25%	0.246	46%	0.464	C	S	.	.	H	α-helix	trans	-60.9	-33.7	176.8	-74.2	168.8	0	0	0	112.4	V480 L493 H501	V480-L497 HydrophobicContact CG2-CD2 4.05Å; L493-L497 HydrophobicContact CD1-CD1 4.13Å; L493-L497 HydrophobicContact CD1-CG 4.2Å; L493-L497 HydrophobicContact CG-CD1 3.95Å; L493-L497 HydrophobicContact CG-CG 4.44Å; L493-L497 WeakPolarHBondContact O-CB 3.37Å; L493-L497 WeakPolarHBondContact O-CG 3.37Å; L493-L497 PolarHBondContact O-N 3.12Å; L497-H501 HydrophobicContact CD2-CB 4.43Å; L497-H501 CarbonylContact O-C 3.58Å
498	R	72.8	Confident	63	Low	196 Å²	196	92 Å²	92	74%	0.74	49%	0.494	S	S	*	.	H	α-helix	trans	-74.9	-38.9	175	-71.3	179.1	-144.5	-149.1	6.3	112.9	N494 Q495 H496	N494-R498 WeakPolarHBondContact O-CG 3.47Å; N494-R498 PolarHBondContact O-N 3.46Å; Q495-R498 PolarHBondContact O-N 3.31Å; H496-R498 PolarHBondContact O-N 3.11Å
499	R	75.8	Confident	61	Low	179 Å²	179	97.7 Å²	97.7	68%	0.675	52%	0.519	S	S	*	.	H	α-helix	trans	-83.2	-46.4	-173.3	-167.9	-175.2	70	-171.3	-2.2	113.4	Q495 H496	Q495-R499 WeakPolarHBondContact O-CB 3.45Å; Q495-R499 PolarHBondContact O-N 3.38Å; H496-R499 PolarHBondContact O-N 3.02Å
500	D	72	Confident	58.7	Low	56 Å²	56	100.7 Å²	100.7	30%	0.299	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-19	-167	-60.5	-10.1	0	0	0	112.7	K485 H496	K485-D500 IonicContact NZ-OD2 3.53Å; K485-D500 PolarHBondContact NZ-OD2 3.23Å; H496-D500 IonicContact CE1-OD2 4Å; H496-D500 PolarHBondContact CE1-OD2 3.41Å; H496-D500 IonicContact ND1-OD2 3.5Å; H496-D500 PolarHBondContact ND1-OD2 2.85Å; H496-D500 PolarHBondContact O-N 3.26Å
501	H	71.6	Confident	56.9	Low	49 Å²	49	102.3 Å²	102.3	23%	0.227	55%	0.554	C	S	.	*	S	Bend	trans	-118.4	9.8	-175.7	-68	-48.7	0	0	0	114.9	C478 V480 C483 H496 L497 A503	C478-H501 PolarHBondContact SG-CD2 3.01Å; C478-H501 PolarHBondContact SG-NE2 3.45Å; V480-H501 HydrophobicContact CG2-CB 3.95Å; C483-H501 VanDerWaalsContact CB-CE1 3.46Å; C483-H501 WeakPolarHBondContact CB-CE1 3.28Å; C483-H501 VanDerWaalsContact CB-NE2 3.28Å; C483-H501 WeakPolarHBondContact CB-NE2 3.44Å; C483-H501 PolarHBondContact SG-NE2 3.48Å; H496-H501 AromaticContact CD2-CD2 3.91Å; H496-H501 AromaticContact CE1-CD2 3.44Å; H496-H501 PolarHBondContact CE1-CD2 2.98Å; H496-H501 VanDerWaalsContact CE1-CD2 3.44Å; H496-H501 AromaticContact CE1-NE2 3.13Å; H496-H501 PolarHBondContact CE1-NE2 2.93Å; H496-H501 AromaticContact NE2-CD2 3.18Å; H496-H501 PolarHBondContact NE2-CD2 3.07Å; H496-H501 AromaticContact NE2-NE2 3.01Å; H496-H501 PolarHBondContact NE2-NE2 3.05Å; L497-H501 HydrophobicContact CD2-CB 4.43Å; L497-H501 CarbonylContact O-C 3.58Å; H501-A503 VanDerWaalsContact C-N 3.3Å; H501-A503 PolarHBondContact O-N 3.03Å
502	S	54	Low	54.7	Low	89 Å²	89	99.8 Å²	99.8	62%	0.622	56%	0.564	S	S	*	*			trans	27.8	69.3	173.4	-62.4	0	0	0	0	110.9	N504	S502-N504 PolarHBondContact O-N 2.88Å
503	A	43.4	Very low	52.2	Low	72 Å²	72	100.7 Å²	100.7	60%	0.595	59%	0.59	S	S	*	*			trans	-67.9	71	-176.4	0	0	0	0	0	110.7	H501 Y505	H501-A503 VanDerWaalsContact C-N 3.3Å; H501-A503 PolarHBondContact O-N 3.03Å; A503-Y505 PolarHBondContact O-N 3.21Å
504	N	35.2	Very low	49.5	Very low	148 Å²	148	103.3 Å²	103.3	79%	0.791	62%	0.623	S	S	*	*			trans	-82.2	73	156.1	-83.8	-7.4	0	0	0	106.6	S502 A506	S502-N504 PolarHBondContact O-N 2.88Å; N504-A506 PolarHBondContact O-N 3.21Å; N504-A506 VanDerWaalsContact O-N 3.17Å
505	Y	33	Very low	47.5	Very low	204 Å²	204	111.5 Å²	111.5	80%	0.8	65%	0.649	S	S	*	*			trans	-83.2	66.5	157.7	-96.5	-88.4	0	0	0	108.3	A503	A503-Y505 PolarHBondContact O-N 3.21Å
506	A	31.6	Very low	45.2	Very low	73 Å²	73	113.6 Å²	113.6	60%	0.603	67%	0.667	S	S	*	*	S	Bend	trans	-160.4	117.8	164.7	0	0	0	0	0	108.5	N504	N504-A506 PolarHBondContact O-N 3.21Å; N504-A506 VanDerWaalsContact O-N 3.17Å
507	N	32.3	Very low	42.6	Very low	164 Å²	164	117.7 Å²	117.7	88%	0.877	70%	0.702	S	S	*	*			trans	84.9	99.7	172.7	-54.5	-13.7	0	0	0	116.5
508	G	26.7	Very low	40.3	Very low	74 Å²	74	123.1 Å²	123.1	76%	0.763	73%	0.731	S	S	*	*			trans	-77.1	134.9	150.5	0	0	0	0	0	110.1
509	I	33.2	Very low	38.3	Very low	163 Å²	163	120.7 Å²	120.7	84%	0.836	74%	0.738	S	S	*	*			trans	-172.8	124.8	140.1	-83.7	146.8	0	0	0	105.1
510	P	30.8	Very low	36.2	Very low	119 Å²	119	118 Å²	118	77%	0.773	75%	0.747	S	S	*	*			trans	-99.2	128	168.7	33.3	-23.5	0	0	0	109.8
511	S	34.1	Very low	34.2	Very low	122 Å²	122	119.6 Å²	119.6	85%	0.853	77%	0.768	S	S	*	*			trans	-172.4	123.9	151.8	-88.7	0	0	0	0	112.3
512	G	28.8	Very low	32.2	Very low	80 Å²	80	123.5 Å²	123.5	83%	0.825	80%	0.796	S	S	*	*			trans	89.2	93	131.1	0	0	0	0	0	119.1
513	G	27.8	Very low	31.1	Very low	89 Å²	89	125.3 Å²	125.3	92%	0.918	80%	0.803	S	S	*	*				65.8	122.3	121.2	0	0	0	0	0	120.5
514	G	27.3	Very low	30.5	Very low	79 Å²	79	133.5 Å²	133.5	81%	0.814	82%	0.818	S	S	*	*			trans	148.3	105.1	152.6	0	0	0	0	0	114.9
515	R	28.6	Very low	30.3	Very low	243 Å²	243	134.9 Å²	134.9	92%	0.917	82%	0.82	S	S	*	*			trans	-56.4	155	163.3	-66.4	173.3	171.6	-176.2	-3.7	108.9
516	V	29.2	Very low	30.2	Very low	135 Å²	135	128.7 Å²	128.7	82%	0.818	82%	0.819	S	S	*	*				177.4	138.9	83.9	164.1	0	0	0	0	109.9
517	A	29.4	Very low	30.2	Very low	90 Å²	90	131 Å²	131	74%	0.744	83%	0.825	S	S	*	*			trans	54.4	131.6	147.9	0	0	0	0	0	124.4
518	N	29	Very low	30.4	Very low	161 Å²	161	127.8 Å²	127.8	86%	0.861	81%	0.813	S	S	*	*			trans	-55.2	138	153.9	-81.5	-18.9	0	0	0	112.5
519	T	31.2	Very low	31.1	Very low	146 Å²	146	129.9 Å²	129.9	90%	0.896	81%	0.813	S	S	*	*			trans	-151.7	142.7	137	36.1	0	0	0	0	110.8
520	S	31	Very low	31.4	Very low	121 Å²	121	131.6 Å²	131.6	85%	0.846	82%	0.815	S	S	*	*			trans	-75.3	168.5	-174.7	-53.3	0	0	0	0	113.9
521	A	29.2	Very low	31.9	Very low	90 Å²	90	132 Å²	132	74%	0.744	82%	0.815	S	S	*	*			trans	83.9	100.6	161.4	0	0	0	0	0	117.5
522	T	30.3	Very low	32.6	Very low	132 Å²	132	137.8 Å²	137.8	81%	0.81	82%	0.818	S	S	*	*				174.7	134.3	117.5	21.1	0	0	0	0	111.5
523	T	30	Very low	33.3	Very low	127 Å²	127	138.6 Å²	138.6	78%	0.779	81%	0.811	S	S	*	*			trans	41.1	88.1	151.6	-48.3	0	0	0	0	117.7	Q525	T523-Q525 PolarHBondContact O-N 3.33Å
524	R	31.5	Very low	34.4	Very low	244 Å²	244	140.2 Å²	140.2	92%	0.921	81%	0.808	S	S	*	*			trans	-91.4	97.8	166	-79.2	-171.7	175.6	-172.8	0.3	110.9
525	Q	31.6	Very low	36.2	Very low	176 Å²	176	143.7 Å²	143.7	82%	0.822	81%	0.806	S	S	*	*			trans	-56.6	142.1	154.1	-72.4	176.3	-17.7	0	0	109.4	T523	T523-Q525 PolarHBondContact O-N 3.33Å
526	G	30.2	Very low	38.8	Very low	75 Å²	75	141.6 Å²	141.6	77%	0.773	80%	0.8	S	S	*	*			trans	-52.5	134.3	-173.6	0	0	0	0	0	113.2	P528	G526-P528 VanDerWaalsContact O-CD 3.28Å; G526-P528 WeakPolarHBondContact O-CD 3.26Å
527	V	32.3	Very low	41	Very low	121 Å²	121	142.1 Å²	142.1	73%	0.733	80%	0.797	S	S	*	*			trans	-79.4	111.5	172.1	178.6	0	0	0	0	106.9
528	P	36.6	Very low	43.7	Very low	96 Å²	96	144.4 Å²	144.4	62%	0.623	79%	0.792	S	S	*	*			trans	-66.2	153.8	174.2	29.7	-32.3	0	0	0	108.8	G526 K530	G526-P528 VanDerWaalsContact O-CD 3.28Å; G526-P528 WeakPolarHBondContact O-CD 3.26Å; P528-K530 PolarHBondContact O-N 3.36Å
529	P	40.3	Very low	46.4	Very low	118 Å²	118	138.7 Å²	138.7	77%	0.766	76%	0.763	S	S	*	*			trans	-54.5	122.9	173.2	24.3	-31.9	0	0	0	107	T531	P529-T531 VanDerWaalsContact C-N 3.28Å; P529-T531 PolarHBondContact O-N 3.45Å
530	K	39.8	Very low	49.1	Very low	200 Å²	200	134.3 Å²	134.3	87%	0.87	74%	0.738	S	S	*	*			trans	-55.8	97.3	178.6	-75	-179.2	178.6	175.6	0	107.7	P528 R532	P528-K530 PolarHBondContact O-N 3.36Å; K530-R532 PolarHBondContact O-N 3.26Å
531	T	40.8	Very low	51.9	Low	126 Å²	126	133.8 Å²	133.8	77%	0.773	73%	0.73	S	S	*	*			trans	-49.1	126.1	166.4	44.5	0	0	0	0	105.9	P529 S533	P529-T531 VanDerWaalsContact C-N 3.28Å; P529-T531 PolarHBondContact O-N 3.45Å; T531-S533 PolarHBondContact O-N 3.22Å
532	R	48.9	Very low	54.7	Low	245 Å²	245	139.1 Å²	139.1	93%	0.925	73%	0.731	S	S	*	*			trans	-40.3	113.3	172.6	-133.5	-179.1	178.9	-134.6	0.2	106.9	K530 S534	K530-R532 PolarHBondContact O-N 3.26Å; R532-S534 PolarHBondContact O-N 3.15Å
533	S	44.4	Very low	57.5	Low	97 Å²	97	136 Å²	136	68%	0.678	71%	0.712	S	S	*	*			trans	-56.5	117.3	-179	34.8	0	0	0	0	107.3	T531 I535	T531-S533 PolarHBondContact O-N 3.22Å; S533-I535 PolarHBondContact O-N 3.09Å
534	S	50.9	Low	60.3	Low	122 Å²	122	135 Å²	135	85%	0.853	70%	0.697	S	S	*	*			trans	-64.4	119.4	171.8	56.8	0	0	0	0	107	R532	R532-S534 PolarHBondContact O-N 3.15Å
535	I	65.8	Low	63	Low	152 Å²	152	126.2 Å²	126.2	78%	0.779	67%	0.67	S	S	*	*			trans	-111.1	124.3	177.8	25.1	171.7	0	0	0	108.3	S533	S533-I535 PolarHBondContact O-N 3.09Å
536	Y	81.4	Confident	65.8	Low	200 Å²	200	118.4 Å²	118.4	78%	0.784	64%	0.636	S	S	*	*			trans	-84.5	127.4	167.3	173.7	-106.8	0	0	0	108.6	H538	Y536-H538 HydrophobicContact CD1-CB 4.48Å; Y536-H538 HydrophobicContact CE1-CB 3.59Å
537	L	76.7	Confident	68.6	Low	146 Å²	146	119.8 Å²	119.8	76%	0.764	62%	0.618	S	S	*	*			trans	-121.8	105.6	179	-165.2	107.8	0	0	0	110.1	T539	L537-T539 HydrophobicContact CD2-CG2 3.87Å
538	H	86.9	Confident	71.3	Confident	138 Å²	138	124.9 Å²	124.9	64%	0.639	62%	0.624	S	S	*	*			trans	-105.5	105.5	169.7	-172.9	-94.5	0	0	0	109.9	Y536 S540	Y536-H538 HydrophobicContact CD1-CB 4.48Å; Y536-H538 HydrophobicContact CE1-CB 3.59Å; H538-S540 PolarHBondContact O-N 3.06Å
539	T	84	Confident	73.8	Confident	40 Å²	40	125.4 Å²	125.4	25%	0.245	62%	0.621	C	S	.	*			trans	-69.8	127.6	-179.5	53.1	0	0	0	0	111.4	L537 K544	L537-T539 HydrophobicContact CD2-CG2 3.87Å; T539-K544 VanDerWaalsContact OG1-CE 3.28Å; T539-K544 WeakPolarHBondContact OG1-CE 3.31Å
540	S	89.2	Confident	76	Confident	54 Å²	54	120.4 Å²	120.4	38%	0.378	59%	0.589	S	S	.	*			trans	-61.6	158.3	174.7	75.1	0	0	0	0	112	H538 W542 T543 K544	H538-S540 PolarHBondContact O-N 3.06Å; S540-W542 VanDerWaalsContact C-N 3.26Å; S540-W542 PolarHBondContact O-N 2.81Å; S540-T543 PolarHBondContact O-N 3.31Å; S540-T543 PolarHBondContact OG-N 2.99Å; S540-T543 VanDerWaalsContact OG-N 3.14Å; S540-T543 PolarHBondContact OG-OG1 3.43Å; S540-K544 PolarHBondContact O-N 3.06Å
541	V	88.8	Confident	78.3	Confident	110 Å²	110	112.3 Å²	112.3	67%	0.667	56%	0.557	S	S	*	*	H	α-helix	trans	-58.6	-42	174.5	179.3	0	0	0	0	110.3	T543 K544 V545	V541-T543 PolarHBondContact O-N 3.38Å; V541-K544 WeakPolarHBondContact O-CA 3.3Å; V541-K544 WeakPolarHBondContact O-CB 3.21Å; V541-K544 PolarHBondContact O-N 3.26Å; V541-V545 HydrophobicContact CG1-CG2 4.35Å; V541-V545 WeakPolarHBondContact O-CG2 3.02Å; V541-V545 PolarHBondContact O-N 3.04Å
542	W	87.7	Confident	80.4	Confident	203 Å²	203	113 Å²	113	77%	0.769	55%	0.55	S	S	*	.	H	α-helix	trans	-56.9	-43.9	176	-75.8	114.2	0	0	0	113.2	S540 K544 V545 A546	S540-W542 VanDerWaalsContact C-N 3.26Å; S540-W542 PolarHBondContact O-N 2.81Å; W542-K544 VanDerWaalsContact C-N 3.29Å; W542-K544 PolarHBondContact O-N 3.19Å; W542-V545 PolarHBondContact O-N 3.23Å; W542-A546 VanDerWaalsContact O-CB 3.31Å; W542-A546 WeakPolarHBondContact O-CB 3.41Å; W542-A546 PolarHBondContact O-N 3.37Å
543	T	89.3	Confident	82.1	Confident	67 Å²	67	110 Å²	110	41%	0.411	55%	0.546	S	S	.	.	H	α-helix	trans	-67.2	-28.8	176.4	-52.6	0	0	0	0	112.7	S540 V541 R547	S540-T543 PolarHBondContact O-N 3.31Å; S540-T543 PolarHBondContact OG-N 2.99Å; S540-T543 VanDerWaalsContact OG-N 3.14Å; S540-T543 PolarHBondContact OG-OG1 3.43Å; V541-T543 PolarHBondContact O-N 3.38Å; T543-R547 WeakPolarHBondContact O-CG 3.5Å; T543-R547 PolarHBondContact O-N 3.26Å; T543-R547 PolarHBondContact O-NE 3.38Å
544	K	89.3	Confident	84	Confident	105 Å²	105	108.1 Å²	108.1	46%	0.457	53%	0.528	S	S	.	.	H	α-helix	trans	-71.1	-41.4	173.3	-65.8	176.2	-175.2	177.2	0	111.2	T539 S540 V541 W542	T539-K544 VanDerWaalsContact OG1-CE 3.28Å; T539-K544 WeakPolarHBondContact OG1-CE 3.31Å; S540-K544 PolarHBondContact O-N 3.06Å; V541-K544 WeakPolarHBondContact O-CA 3.3Å; V541-K544 WeakPolarHBondContact O-CB 3.21Å; V541-K544 PolarHBondContact O-N 3.26Å; W542-K544 VanDerWaalsContact C-N 3.29Å; W542-K544 PolarHBondContact O-N 3.19Å
545	V	89.2	Confident	85.7	Confident	59 Å²	59	104 Å²	104	36%	0.358	49%	0.494	S	S	.	.	H	α-helix	trans	-66.8	-46.1	176.4	174.6	0	0	0	0	111	V541 W542 R547 R548 L549	V541-V545 HydrophobicContact CG1-CG2 4.35Å; V541-V545 WeakPolarHBondContact O-CG2 3.02Å; V541-V545 PolarHBondContact O-N 3.04Å; W542-V545 PolarHBondContact O-N 3.23Å; V545-R547 VanDerWaalsContact C-N 3.31Å; V545-R547 PolarHBondContact O-N 3.14Å; V545-R548 WeakPolarHBondContact O-CA 3.26Å; V545-R548 WeakPolarHBondContact O-CB 3.45Å; V545-R548 PolarHBondContact O-N 3.49Å; V545-L549 HydrophobicContact CG1-CD1 3.62Å; V545-L549 HydrophobicContact CG1-CG 4.1Å; V545-L549 PolarHBondContact O-N 3Å
546	A	89.9	Confident	86.8	Confident	13 Å²	13	99.8 Å²	99.8	11%	0.107	47%	0.473	C	S	.	.	H	α-helix	trans	-55.8	-42	178.8	0	0	0	0	0	113	W542 R548 L549 A550 I573 T577	W542-A546 VanDerWaalsContact O-CB 3.31Å; W542-A546 WeakPolarHBondContact O-CB 3.41Å; W542-A546 PolarHBondContact O-N 3.37Å; A546-R548 PolarHBondContact O-N 2.87Å; A546-L549 PolarHBondContact O-N 3Å; A546-A550 WeakPolarHBondContact O-CB 3.39Å; A546-A550 PolarHBondContact O-N 3.41Å; A546-I573 HydrophobicContact CB-CG2 4.41Å; A546-T577 HydrophobicContact CB-CG2 3.8Å
547	R	88.3	Confident	87	Confident	104 Å²	104	93 Å²	93	39%	0.392	46%	0.459	S	S	.	.	H	α-helix	trans	-65	-20.2	175.7	-76.1	-176.2	-74.3	178.4	-3.5	114.2	T543 V545 Y555	T543-R547 WeakPolarHBondContact O-CG 3.5Å; T543-R547 PolarHBondContact O-N 3.26Å; T543-R547 PolarHBondContact O-NE 3.38Å; V545-R547 VanDerWaalsContact C-N 3.31Å; V545-R547 PolarHBondContact O-N 3.14Å; R547-Y555 HydrophobicContact CB-CD1 4.36Å; R547-Y555 HydrophobicContact CB-CE1 3.89Å; R547-Y555 HydrophobicContact CG-CD1 4.33Å; R547-Y555 HydrophobicContact CG-CE1 3.75Å
548	R	88.5	Confident	87.4	Confident	227 Å²	227	93 Å²	93	86%	0.857	45%	0.448	S	S	*	.	H	α-helix	trans	-92.7	-32.3	175.7	-71.1	-167.7	175	174.3	-0.7	112.9	V545 A546	V545-R548 WeakPolarHBondContact O-CA 3.26Å; V545-R548 WeakPolarHBondContact O-CB 3.45Å; V545-R548 PolarHBondContact O-N 3.49Å; A546-R548 PolarHBondContact O-N 2.87Å
549	L	89.2	Confident	87.4	Confident	108 Å²	108	89.5 Å²	89.5	57%	0.565	43%	0.432	S	S	*	.	H	α-helix	trans	-81.3	-30.2	179.6	-71.1	175.9	0	0	0	113.3	V545 A546 T577	V545-L549 HydrophobicContact CG1-CD1 3.62Å; V545-L549 HydrophobicContact CG1-CG 4.1Å; V545-L549 PolarHBondContact O-N 3Å; A546-L549 PolarHBondContact O-N 3Å; L549-T577 HydrophobicContact CB-CG2 4.18Å
550	A	86.3	Confident	87.5	Confident	12 Å²	12	89.9 Å²	89.9	10%	0.099	43%	0.429	C	S	.	.	S	Bend	trans	-61.6	131.2	-177.1	0	0	0	0	0	112.2	A546 I573	A546-A550 WeakPolarHBondContact O-CB 3.39Å; A546-A550 PolarHBondContact O-N 3.41Å; A550-I573 HydrophobicContact CB-CG2 4.11Å
551	P	88.2	Confident	87.2	Confident	30 Å²	30	91.3 Å²	91.3	20%	0.195	44%	0.444	C	S	.	.			trans	-64.7	151.9	177.5	23.9	-33.5	0	0	0	110.7	Q553 L554 Y555 Y576	P551-Q553 PolarHBondContact O-N 3.08Å; P551-L554 HydrophobicContact CG-CB 4.26Å; P551-L554 HydrophobicContact CG-CD1 3.77Å; P551-L554 HydrophobicContact CG-CG 3.97Å; P551-L554 PolarHBondContact O-N 2.8Å; P551-Y555 PolarHBondContact O-N 3.17Å; P551-Y576 VanDerWaalsContact CD-CZ 3.48Å; P551-Y576 HydrophobicContact CG-CD1 4.47Å; P551-Y576 HydrophobicContact CG-CD2 4.4Å; P551-Y576 HydrophobicContact CG-CE1 4.1Å; P551-Y576 HydrophobicContact CG-CE2 4Å
552	K	85.8	Confident	86.9	Confident	142 Å²	142	95 Å²	95	62%	0.617	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.3	-175.9	-68.8	-177.8	-179.1	175.3	0	113.9	L554	K552-L554 VanDerWaalsContact C-N 3.33Å
553	Q	84.2	Confident	86.6	Confident	180 Å²	180	89.5 Å²	89.5	84%	0.841	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-30	174.1	-63.2	127.7	-17.4	0	0	112.3	P551	P551-Q553 PolarHBondContact O-N 3.08Å
554	L	84	Confident	86.1	Confident	58 Å²	58	91.9 Å²	91.9	30%	0.304	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-41	-179.5	-67.7	-178.4	0	0	0	112.4	P551 K552 V572 Y576	P551-L554 HydrophobicContact CG-CB 4.26Å; P551-L554 HydrophobicContact CG-CD1 3.77Å; P551-L554 HydrophobicContact CG-CG 3.97Å; P551-L554 PolarHBondContact O-N 2.8Å; K552-L554 VanDerWaalsContact C-N 3.33Å; L554-V572 HydrophobicContact CD1-CG1 4.11Å; L554-V572 HydrophobicContact CD2-CG1 3.39Å; L554-V572 HydrophobicContact CG-CG1 4.34Å; L554-Y576 HydrophobicContact CD1-CD2 3.96Å; L554-Y576 HydrophobicContact CD1-CG 3.9Å
555	Y	87.7	Confident	85.8	Confident	37 Å²	37	93 Å²	93	15%	0.145	47%	0.465	C	S	.	.			trans	-145.2	111.1	178.7	-177.4	-102.6	0	0	0	111.4	R547 P551 A557 Y560 I568 I573	R547-Y555 HydrophobicContact CB-CD1 4.36Å; R547-Y555 HydrophobicContact CB-CE1 3.89Å; R547-Y555 HydrophobicContact CG-CD1 4.33Å; R547-Y555 HydrophobicContact CG-CE1 3.75Å; P551-Y555 PolarHBondContact O-N 3.17Å; Y555-A557 HydrophobicContact CE1-CB 3.93Å; Y555-Y560 AromaticContact CD2-CD2 3.98Å; Y555-Y560 HydrophobicContact CD2-CD2 3.98Å; Y555-Y560 HydrophobicContact CD2-CE2 4.24Å; Y555-Y560 HydrophobicContact CE2-CD2 4.06Å; Y555-I568 HydrophobicContact CD2-CG2 4.13Å; Y555-I568 HydrophobicContact CE2-CD1 3.95Å; Y555-I568 HydrophobicContact CE2-CG1 4.48Å; Y555-I568 HydrophobicContact CE2-CG2 4.44Å; Y555-I573 HydrophobicContact CD2-CD1 3.77Å; Y555-I573 HydrophobicContact CG-CD1 4.03Å
556	N	88.9	Confident	85.5	Confident	62 Å²	62	93.9 Å²	93.9	33%	0.332	47%	0.466	S	S	.	.			trans	-107.3	101.3	173.9	-176.6	-16.6	0	0	0	110	R558 H559 Y560	N556-R558 PolarHBondContact O-N 3.24Å; N556-R558 PolarHBondContact OD1-N 3.37Å; N556-R558 VanDerWaalsContact OD1-N 3.08Å; N556-H559 HydrophobicContact CB-CB 3.81Å; N556-H559 WeakPolarHBondContact O-CB 3.4Å; N556-H559 PolarHBondContact O-N 3.27Å; N556-H559 PolarHBondContact OD1-N 2.98Å; N556-Y560 WeakPolarHBondContact O-CD2 3.43Å; N556-Y560 PolarHBondContact O-N 3.32Å; N556-Y560 VanDerWaalsContact O-N 3.09Å
557	A	84.9	Confident	85.1	Confident	59 Å²	59	97.3 Å²	97.3	49%	0.488	49%	0.487	S	S	.	.	H	α-helix	trans	-56.2	-33.9	-178.6	0	0	0	0	0	113.5	Y555 A561	Y555-A557 HydrophobicContact CE1-CB 3.93Å; A557-A561 WeakPolarHBondContact O-CB 3.45Å; A557-A561 PolarHBondContact O-N 2.9Å; A557-A561 VanDerWaalsContact O-N 3.15Å
558	R	84.7	Confident	85.1	Confident	145 Å²	145	95.6 Å²	95.6	55%	0.547	48%	0.484	S	S	.	.	H	α-helix	trans	-73.1	-34.3	178.3	-77.1	-174.5	-176.5	165.4	2.9	112.5	N556	N556-R558 PolarHBondContact O-N 3.24Å; N556-R558 PolarHBondContact OD1-N 3.37Å; N556-R558 VanDerWaalsContact OD1-N 3.08Å
559	H	86.3	Confident	85	Confident	65 Å²	65	89.1 Å²	89.1	30%	0.301	47%	0.467	S	S	.	.	H	α-helix	trans	-66.4	-58.8	176	-178.7	72.5	0	0	0	110.1	N556 A561 R562 H563 E566	N556-H559 HydrophobicContact CB-CB 3.81Å; N556-H559 WeakPolarHBondContact O-CB 3.4Å; N556-H559 PolarHBondContact O-N 3.27Å; N556-H559 PolarHBondContact OD1-N 2.98Å; H559-A561 VanDerWaalsContact C-N 3.27Å; H559-A561 PolarHBondContact O-N 3.47Å; H559-R562 PolarHBondContact O-N 3.45Å; H559-H563 AromaticContact CE1-CD2 3.36Å; H559-H563 PolarHBondContact CE1-CD2 2.81Å; H559-H563 AromaticContact CE1-NE2 3.77Å; H559-H563 AromaticContact ND1-CD2 3.55Å; H559-H563 AromaticContact ND1-NE2 3.97Å; H559-H563 AromaticContact NE2-CD2 3.81Å; H559-H563 PolarHBondContact O-CD2 3.24Å; H559-H563 VanDerWaalsContact O-CD2 3.26Å; H559-H563 PolarHBondContact O-N 3.34Å; H559-E566 IonicContact CD2-OE1 2.71Å; H559-E566 IonicContact CD2-OE2 3.46Å; H559-E566 IonicContact CE1-OE2 3.36Å; H559-E566 IonicContact NE2-OE1 2.99Å; H559-E566 PolarHBondContact NE2-OE1 3.21Å; H559-E566 IonicContact NE2-OE2 2.81Å; H559-E566 PolarHBondContact NE2-OE2 3.06Å
560	Y	86.7	Confident	84.7	Confident	47 Å²	47	88.3 Å²	88.3	18%	0.184	47%	0.468	C	S	.	.	H	α-helix	trans	-67.6	-23.4	-175.8	-71.1	-69.6	0	0	0	114.1	Y555 N556 R562 H563 E566 I568	Y555-Y560 AromaticContact CD2-CD2 3.98Å; Y555-Y560 HydrophobicContact CD2-CD2 3.98Å; Y555-Y560 HydrophobicContact CD2-CE2 4.24Å; Y555-Y560 HydrophobicContact CE2-CD2 4.06Å; N556-Y560 WeakPolarHBondContact O-CD2 3.43Å; N556-Y560 PolarHBondContact O-N 3.32Å; N556-Y560 VanDerWaalsContact O-N 3.09Å; Y560-R562 PolarHBondContact O-N 3.31Å; Y560-H563 CarbonylContact O-C 3.54Å; Y560-H563 PolarHBondContact O-N 2.96Å; Y560-E566 HydrophobicContact CD1-CB 4.46Å; Y560-E566 HydrophobicContact CE1-CB 4.31Å; Y560-E566 HydrophobicContact CE1-CG 4.08Å; Y560-I568 HydrophobicContact CD1-CD1 4.09Å; Y560-I568 HydrophobicContact CD1-CG1 3.43Å; Y560-I568 VanDerWaalsContact CD1-CG1 3.43Å; Y560-I568 HydrophobicContact CD2-CG1 4.06Å; Y560-I568 HydrophobicContact CE1-CB 4.42Å; Y560-I568 HydrophobicContact CE1-CG1 3.46Å; Y560-I568 VanDerWaalsContact CE1-CG1 3.46Å; Y560-I568 HydrophobicContact CE2-CG1 4.09Å; Y560-I568 HydrophobicContact CG-CD1 4.05Å; Y560-I568 HydrophobicContact CG-CG1 3.74Å
561	A	82.6	Confident	84.6	Confident	84 Å²	84	94.8 Å²	94.8	69%	0.694	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.9	170.3	0	0	0	0	0	113.4	A557 H559	A557-A561 WeakPolarHBondContact O-CB 3.45Å; A557-A561 PolarHBondContact O-N 2.9Å; A557-A561 VanDerWaalsContact O-N 3.15Å; H559-A561 VanDerWaalsContact C-N 3.27Å; H559-A561 PolarHBondContact O-N 3.47Å
562	R	82.4	Confident	84.4	Confident	187 Å²	187	96.2 Å²	96.2	71%	0.706	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-9.7	179.4	-62.1	176.4	-177.4	173.8	-0.3	113.1	H559 Y560 P564	H559-R562 PolarHBondContact O-N 3.45Å; Y560-R562 PolarHBondContact O-N 3.31Å; R562-P564 VanDerWaalsContact C-CD 3.44Å; R562-P564 WeakPolarHBondContact O-CD 3.46Å
563	H	82.1	Confident	84.4	Confident	88 Å²	88	90.3 Å²	90.3	41%	0.407	48%	0.481	S	S	.	.			trans	-125.7	65.4	-178.8	-64.1	-75.2	0	0	0	110.5	H559 Y560 C565 E566	H559-H563 AromaticContact CE1-CD2 3.36Å; H559-H563 PolarHBondContact CE1-CD2 2.81Å; H559-H563 AromaticContact CE1-NE2 3.77Å; H559-H563 AromaticContact ND1-CD2 3.55Å; H559-H563 AromaticContact ND1-NE2 3.97Å; H559-H563 AromaticContact NE2-CD2 3.81Å; H559-H563 PolarHBondContact O-CD2 3.24Å; H559-H563 VanDerWaalsContact O-CD2 3.26Å; H559-H563 PolarHBondContact O-N 3.34Å; Y560-H563 CarbonylContact O-C 3.54Å; Y560-H563 PolarHBondContact O-N 2.96Å; H563-C565 PolarHBondContact O-N 2.96Å; H563-C565 VanDerWaalsContact O-N 3.12Å; H563-E566 HydrophobicContact CB-CB 3.81Å; H563-E566 VanDerWaalsContact CB-OE2 3.31Å; H563-E566 WeakPolarHBondContact CB-OE2 3.36Å; H563-E566 IonicContact CD2-OE2 2.74Å; H563-E566 IonicContact CG-OE2 2.71Å; H563-E566 WeakPolarHBondContact O-CB 3.45Å; H563-E566 PolarHBondContact O-N 3.28Å
564	P	79.6	Confident	84.3	Confident	118 Å²	118	83.8 Å²	83.8	77%	0.766	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.6	-174.3	27.3	-35.8	0	0	0	113.8	R562	R562-P564 VanDerWaalsContact C-CD 3.44Å; R562-P564 WeakPolarHBondContact O-CD 3.46Å
565	C	81.7	Confident	84.4	Confident	128 Å²	128	84.7 Å²	84.7	87%	0.865	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-3.6	177.9	-55.3	0	0	0	0	113.2	H563	H563-C565 PolarHBondContact O-N 2.96Å; H563-C565 VanDerWaalsContact O-N 3.12Å
566	E	84	Confident	84.4	Confident	78 Å²	78	87.9 Å²	87.9	36%	0.364	48%	0.478	S	S	.	.	S	Bend	trans	-85	125.1	178.8	-169.7	176.1	157.6	0	0	109.7	H559 Y560 H563 I568	H559-E566 IonicContact CD2-OE1 2.71Å; H559-E566 IonicContact CD2-OE2 3.46Å; H559-E566 IonicContact CE1-OE2 3.36Å; H559-E566 IonicContact NE2-OE1 2.99Å; H559-E566 PolarHBondContact NE2-OE1 3.21Å; H559-E566 IonicContact NE2-OE2 2.81Å; H559-E566 PolarHBondContact NE2-OE2 3.06Å; Y560-E566 HydrophobicContact CD1-CB 4.46Å; Y560-E566 HydrophobicContact CE1-CB 4.31Å; Y560-E566 HydrophobicContact CE1-CG 4.08Å; H563-E566 HydrophobicContact CB-CB 3.81Å; H563-E566 VanDerWaalsContact CB-OE2 3.31Å; H563-E566 WeakPolarHBondContact CB-OE2 3.36Å; H563-E566 IonicContact CD2-OE2 2.74Å; H563-E566 IonicContact CG-OE2 2.71Å; H563-E566 WeakPolarHBondContact O-CB 3.45Å; H563-E566 PolarHBondContact O-N 3.28Å; E566-I568 PolarHBondContact O-N 2.99Å
567	P	81.8	Confident	84	Confident	85 Å²	85	86.5 Å²	86.5	55%	0.552	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-70	126.9	-175.8	27.1	-32.9	0	0	0	111.1
568	I	87.5	Confident	83.8	Confident	67 Å²	67	91.7 Å²	91.7	34%	0.344	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-83.4	141.5	167.9	-60.7	157.1	0	0	0	107.7	Y555 Y560 E566 P570 I573	Y555-I568 HydrophobicContact CD2-CG2 4.13Å; Y555-I568 HydrophobicContact CE2-CD1 3.95Å; Y555-I568 HydrophobicContact CE2-CG1 4.48Å; Y555-I568 HydrophobicContact CE2-CG2 4.44Å; Y560-I568 HydrophobicContact CD1-CD1 4.09Å; Y560-I568 HydrophobicContact CD1-CG1 3.43Å; Y560-I568 VanDerWaalsContact CD1-CG1 3.43Å; Y560-I568 HydrophobicContact CD2-CG1 4.06Å; Y560-I568 HydrophobicContact CE1-CB 4.42Å; Y560-I568 HydrophobicContact CE1-CG1 3.46Å; Y560-I568 VanDerWaalsContact CE1-CG1 3.46Å; Y560-I568 HydrophobicContact CE2-CG1 4.09Å; Y560-I568 HydrophobicContact CG-CD1 4.05Å; Y560-I568 HydrophobicContact CG-CG1 3.74Å; E566-I568 PolarHBondContact O-N 2.99Å; I568-P570 WeakPolarHBondContact O-CD 3.31Å; I568-I573 HydrophobicContact CG2-CD1 3.59Å
569	N	85.5	Confident	83.4	Confident	92 Å²	92	94.3 Å²	94.3	49%	0.492	51%	0.505	S	S	.	.			trans	-91.8	94.7	170.8	-169.4	-20.9	0	0	0	110.5	M571 V572	N569-M571 VanDerWaalsContact C-N 3.27Å; N569-M571 PolarHBondContact O-N 3.28Å; N569-M571 PolarHBondContact OD1-N 3.15Å; N569-V572 HydrophobicContact CB-CG2 4.37Å; N569-V572 WeakPolarHBondContact ND2-CG2 3.38Å
570	P	83.3	Confident	83.2	Confident	90 Å²	90	95.8 Å²	95.8	58%	0.584	52%	0.515	S	S	*	.	H	α-helix	trans	-69.3	-24.3	-175.2	29.8	-37.7	0	0	0	113.1	I568 I573 A574	I568-P570 WeakPolarHBondContact O-CD 3.31Å; P570-I573 PolarHBondContact O-N 2.86Å; P570-A574 WeakPolarHBondContact O-CB 3.43Å; P570-A574 PolarHBondContact O-N 3.14Å
571	M	83.8	Confident	83	Confident	148 Å²	148	98.4 Å²	98.4	73%	0.729	53%	0.533	S	S	*	.	H	α-helix	trans	-67.4	-43.2	-177.9	-69.6	-124.7	131	0	0	111.4	N569 I573 A574 V575	N569-M571 VanDerWaalsContact C-N 3.27Å; N569-M571 PolarHBondContact O-N 3.28Å; N569-M571 PolarHBondContact OD1-N 3.15Å; M571-I573 VanDerWaalsContact C-N 3.32Å; M571-I573 PolarHBondContact O-N 2.99Å; M571-A574 PolarHBondContact O-N 3.02Å; M571-V575 WeakPolarHBondContact O-CG2 3.32Å; M571-V575 PolarHBondContact O-N 3Å
572	V	84.3	Confident	83	Confident	61 Å²	61	99.2 Å²	99.2	37%	0.37	52%	0.524	S	S	.	.	H	α-helix	trans	-66.8	-37.5	179.8	-175.1	0	0	0	0	111.1	L554 N569 Y576	L554-V572 HydrophobicContact CD1-CG1 4.11Å; L554-V572 HydrophobicContact CD2-CG1 3.39Å; L554-V572 HydrophobicContact CG-CG1 4.34Å; N569-V572 HydrophobicContact CB-CG2 4.37Å; N569-V572 WeakPolarHBondContact ND2-CG2 3.38Å; V572-Y576 WeakPolarHBondContact O-CB 3.32Å; V572-Y576 PolarHBondContact O-N 3.04Å; V572-Y576 VanDerWaalsContact O-N 3.14Å
573	I	86.9	Confident	83.1	Confident	17 Å²	17	94 Å²	94	9%	0.087	51%	0.513	C	S	.	.	H	α-helix	trans	-64.9	-46.4	175.1	-62.3	168.2	0	0	0	110.3	A546 A550 Y555 I568 P570 M571 Y576 T577	A546-I573 HydrophobicContact CB-CG2 4.41Å; A550-I573 HydrophobicContact CB-CG2 4.11Å; Y555-I573 HydrophobicContact CD2-CD1 3.77Å; Y555-I573 HydrophobicContact CG-CD1 4.03Å; I568-I573 HydrophobicContact CG2-CD1 3.59Å; P570-I573 PolarHBondContact O-N 2.86Å; M571-I573 VanDerWaalsContact C-N 3.32Å; M571-I573 PolarHBondContact O-N 2.99Å; I573-Y576 PolarHBondContact O-N 3.07Å; I573-T577 HydrophobicContact CG2-CG2 4.49Å; I573-T577 VanDerWaalsContact O-CG2 3.32Å; I573-T577 WeakPolarHBondContact O-CG2 3.4Å; I573-T577 PolarHBondContact O-N 3.38Å; I573-T577 VanDerWaalsContact O-N 3.07Å; I573-T577 PolarHBondContact O-OG1 3.04Å
574	A	82.6	Confident	83.1	Confident	43 Å²	43	94.4 Å²	94.4	36%	0.355	52%	0.519	S	S	.	.	H	α-helix	trans	-61	-47.2	-179.5	0	0	0	0	0	112	P570 M571 Y576 T577 Q578	P570-A574 WeakPolarHBondContact O-CB 3.43Å; P570-A574 PolarHBondContact O-N 3.14Å; M571-A574 PolarHBondContact O-N 3.02Å; A574-Y576 PolarHBondContact O-N 3.48Å; A574-T577 PolarHBondContact O-N 3.27Å; A574-T577 PolarHBondContact O-OG1 3.32Å; A574-Q578 WeakPolarHBondContact O-CG 3.47Å; A574-Q578 PolarHBondContact O-N 3.02Å
575	V	85	Confident	83.4	Confident	78 Å²	78	92.8 Å²	92.8	47%	0.473	50%	0.503	S	S	.	.	H	α-helix	trans	-59.7	-46	177.9	171.5	0	0	0	0	111.1	M571 T577 Q578 Q579	M571-V575 WeakPolarHBondContact O-CG2 3.32Å; M571-V575 PolarHBondContact O-N 3Å; V575-T577 VanDerWaalsContact C-N 3.29Å; V575-T577 PolarHBondContact O-N 3.34Å; V575-Q578 PolarHBondContact O-N 3.36Å; V575-Q579 PolarHBondContact O-N 3.22Å
576	Y	87.3	Confident	83.5	Confident	104 Å²	104	90.3 Å²	90.3	41%	0.408	48%	0.477	S	S	.	.	H	α-helix	trans	-62.7	-35.8	178.7	-177	-89.2	0	0	0	112.8	P551 L554 V572 I573 A574	P551-Y576 VanDerWaalsContact CD-CZ 3.48Å; P551-Y576 HydrophobicContact CG-CD1 4.47Å; P551-Y576 HydrophobicContact CG-CD2 4.4Å; P551-Y576 HydrophobicContact CG-CE1 4.1Å; P551-Y576 HydrophobicContact CG-CE2 4Å; L554-Y576 HydrophobicContact CD1-CD2 3.96Å; L554-Y576 HydrophobicContact CD1-CG 3.9Å; V572-Y576 WeakPolarHBondContact O-CB 3.32Å; V572-Y576 PolarHBondContact O-N 3.04Å; V572-Y576 VanDerWaalsContact O-N 3.14Å; I573-Y576 PolarHBondContact O-N 3.07Å; A574-Y576 PolarHBondContact O-N 3.48Å
577	T	81	Confident	83.5	Confident	33 Å²	33	91.2 Å²	91.2	20%	0.202	49%	0.486	C	S	.	.	H	α-helix	trans	-86.4	-10.8	-177.3	57.2	0	0	0	0	114.3	A546 L549 I573 A574 V575	A546-T577 HydrophobicContact CB-CG2 3.8Å; L549-T577 HydrophobicContact CB-CG2 4.18Å; I573-T577 HydrophobicContact CG2-CG2 4.49Å; I573-T577 VanDerWaalsContact O-CG2 3.32Å; I573-T577 WeakPolarHBondContact O-CG2 3.4Å; I573-T577 PolarHBondContact O-N 3.38Å; I573-T577 VanDerWaalsContact O-N 3.07Å; I573-T577 PolarHBondContact O-OG1 3.04Å; A574-T577 PolarHBondContact O-N 3.27Å; A574-T577 PolarHBondContact O-OG1 3.32Å; V575-T577 VanDerWaalsContact C-N 3.29Å; V575-T577 PolarHBondContact O-N 3.34Å
578	Q	80.7	Confident	83.6	Confident	168 Å²	168	91.8 Å²	91.8	79%	0.785	48%	0.48	S	S	*	.	H	α-helix	trans	-86.7	-28.3	171.6	-80.2	179.8	-15.2	0	0	112.4	A574 V575	A574-Q578 WeakPolarHBondContact O-CG 3.47Å; A574-Q578 PolarHBondContact O-N 3.02Å; V575-Q578 PolarHBondContact O-N 3.36Å
579	Q	75.5	Confident	83.3	Confident	200 Å²	200	94 Å²	94	94%	0.935	49%	0.493	S	S	*	.			trans	-73.5	0	166	-67.6	177.3	-4	0	0	110	V575	V575-Q579 PolarHBondContact O-N 3.22Å

Retrieved 579 of 579 residues in 1156.3 ms (Link to these results)

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